#DEFINITION	Reference Metabolome for Astragalus membranaceus
#IDENTTFIER	RefMeta-Astragalus membranaceus.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Astragalus membranaceus
#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 Astragalus membranaceus 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	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01614	0.2
50.55984	0.1
51.02381	0.8
53.03963	5.4
53.52516	0.2
53.83969	0.2
55.01872	0.2
59.52460	0.2
62.05817	0.2
70.15480	0.2
71.03001	0.3
77.03944	2.8
81.03413	0.3
83.60499	0.2
95.04971	21.7
100.02504	0.2
102.04694	2.2
103.05473	100.0
105.04521	7.0
105.05241	0.2
112.50249	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	104.1074
Annotation	Choline
Peak:m/z	Relative Intensity
54.19365	0.0
56.63980	0.1
56.95725	0.1
58.06601	1.7
58.06881	0.1
59.07393	0.3
60.08170	16.8
61.01164	0.1
64.65969	0.1
68.00140	0.1
69.03426	0.5
80.68736	0.1
86.06052	0.5
87.04462	2.1
104.10744	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1073
Annotation	Choline
Peak:m/z	Relative Intensity
51.24459	0.1
53.59885	0.1
58.06597	1.7
59.07375	0.6
60.08168	17.7
60.66713	0.1
63.82101	0.1
65.69352	0.1
69.03432	1.1
74.80529	0.1
86.06065	0.9
86.09734	0.1
87.04467	3.6
88.28297	0.1
90.00616	0.1
103.16801	0.1
104.10741	100.0
115.81667	0.1
121.35860	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	105.0703
Annotation	Styrene
Peak:m/z	Relative Intensity
50.01592	0.1
51.02389	0.4
53.03961	1.5
55.01889	0.1
58.64823	0.1
59.89743	0.1
65.03950	0.1
68.24010	0.1
75.77061	0.1
77.03931	0.8
79.05500	18.1
81.03410	0.2
94.31515	0.1
95.04969	6.2
95.05585	0.2
103.05473	10.9
104.06209	0.1
105.04601	2.2
105.07036	100.0
113.49701	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	109.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00324	0.2
53.03956	3.6
55.01865	0.2
55.05518	5.4
56.98078	0.2
61.99239	0.2
65.03964	1.6
67.05513	86.2
67.50012	0.2
69.07074	3.3
74.91734	0.2
77.77393	0.2
78.73366	0.2
78.81515	0.2
79.05496	5.6
80.06259	0.5
81.03429	8.7
81.07066	27.6
85.47463	0.3
86.00714	2.5
87.84120	0.3
91.05454	0.4
94.04255	0.4
94.07825	1.0
95.01210	1.0
97.51452	0.2
107.04983	0.3
107.08607	4.3
109.02878	3.9
109.06523	9.1
109.10162	100.0
111.96865	1.0
129.97874	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
53.03948	1.7
55.05521	5.7
65.03956	1.9
65.35443	0.3
67.05512	100.0
69.07069	3.0
69.95773	0.2
77.91193	0.2
79.05502	3.4
80.06302	0.3
81.03422	1.7
81.07064	24.5
86.00687	0.3
91.05460	0.3
92.85712	0.2
94.07850	0.4
97.21095	0.2
107.08596	3.5
109.02888	1.6
109.06504	1.5
109.10159	91.6
109.69979	0.2
109.75323	0.3
127.38593	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	111.0807
Annotation	trans,trans-2,4-Heptadienal
Peak:m/z	Relative Intensity
53.03958	2.0
55.01881	7.9
55.05519	70.7
56.05862	0.4
56.96574	21.5
57.03451	1.5
57.93577	0.5
58.50537	1.9
60.04530	2.2
62.32152	0.3
65.03941	0.6
67.05508	6.1
67.51067	9.3
68.05032	2.7
68.05818	0.7
69.03446	2.7
69.07072	9.8
70.01327	2.1
70.06585	0.5
70.07408	3.0
74.97611	0.5
76.49651	0.4
76.51586	23.5
77.43024	0.4
79.01855	17.6
81.07087	2.5
82.05320	0.6
83.04980	3.7
83.06104	1.7
83.08620	54.0
84.08948	0.6
85.52108	11.8
88.00480	15.7
88.02371	19.1
90.52663	0.5
91.05473	7.3
92.05843	0.5
93.06474	0.7
93.07038	14.6
94.02891	0.4
94.07348	2.5
94.52586	0.7
95.04973	2.9
97.00998	17.6
97.02869	2.9
99.51263	1.3
106.01539	2.3
110.07185	0.4
111.04456	5.8
111.05583	6.6
111.08079	100.0
111.09171	2.6
111.09974	12.6
115.96439	6.6
116.96304	0.3
116.97207	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	111.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00333	0.6
53.03962	0.5
54.13245	0.3
55.01891	0.4
55.05521	28.5
56.05050	0.6
57.07079	0.8
58.05340	0.6
60.23789	0.3
67.05517	2.1
68.05033	1.8
69.04556	2.0
69.07072	100.0
70.04905	0.4
70.05331	0.7
70.06593	13.3
74.79214	0.3
82.06594	0.4
83.06122	1.4
83.08607	0.5
84.08163	0.8
93.07035	0.6
94.06562	1.8
96.05650	0.7
96.06865	0.6
110.07170	10.1
111.01991	0.3
111.04443	0.4
111.05578	5.0
111.06718	0.7
111.08068	11.8
111.09200	53.2
111.11739	1.3
116.08379	0.4
124.45699	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	111.1171
Annotation	2,3-DIMETHYL-1,4-HEXADIENE
Peak:m/z	Relative Intensity
53.00322	1.1
53.03956	0.5
55.01877	0.1
55.05521	22.2
56.96576	1.0
57.07084	1.8
60.04529	0.1
65.03966	0.1
67.05515	1.7
67.21850	0.1
67.51067	0.5
68.05042	0.2
69.03426	0.1
69.07073	100.0
71.08635	0.1
76.51595	1.2
79.01858	0.9
79.02242	0.1
82.47713	0.1
83.04961	0.2
83.08620	3.5
85.52093	0.7
88.00510	0.8
88.02364	1.2
93.07062	0.4
97.01002	0.8
97.02893	0.4
111.04438	0.7
111.05558	0.5
111.08077	0.7
111.11715	2.4
115.96435	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	112.0509
Annotation	Cytosine
Peak:m/z	Relative Intensity
50.34070	0.1
62.96418	0.1
67.02987	0.2
68.01366	0.2
69.04553	4.0
70.06603	0.3
70.94257	0.2
71.02464	0.2
75.65038	0.2
84.08147	0.2
94.04064	1.4
95.02453	11.3
95.06092	4.9
108.92279	0.1
112.05089	100.0
112.08695	1.3
112.11250	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	115.0392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51681	1.2
51.01687	1.0
51.02390	1.1
53.03704	1.6
53.03958	48.6
55.01878	7.4
55.05510	1.6
56.05033	1.5
57.03436	6.4
59.04996	4.5
60.02244	0.9
62.02487	0.8
69.02802	1.1
69.03431	34.3
69.07062	5.6
71.01362	1.5
71.02988	38.4
71.04990	1.1
71.53046	73.0
72.02867	17.0
72.04527	1.0
72.08133	0.8
73.02921	100.0
74.06090	8.8
75.00814	0.8
80.03519	17.1
80.53576	30.7
81.03381	7.2
82.53773	5.1
83.03838	10.8
83.53632	1.2
85.02918	10.7
87.04467	5.2
89.54059	1.0
91.54291	1.4
92.00018	6.7
92.04291	3.1
97.02898	17.4
97.10188	0.9
100.02494	1.6
115.03934	55.4
115.05482	17.7
115.08699	2.9
115.09492	1.6
115.13132	1.8
117.82782	0.8
118.03503	1.0
119.03589	1.2
127.61532	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	115.0392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02397	1.1
51.25539	0.5
53.00319	0.7
53.03960	47.8
55.01885	5.5
55.05518	0.6
57.03455	5.7
59.05000	1.0
59.29718	0.6
61.53447	0.5
62.25349	0.5
62.77695	0.5
69.03434	37.1
71.01350	0.8
71.02991	3.9
71.53065	5.1
73.02921	100.0
74.06082	0.6
79.79713	0.5
80.03497	1.4
80.53593	3.5
81.03349	0.6
83.03899	0.8
85.02900	7.4
87.04468	0.7
97.02892	12.0
115.03931	50.5
115.05486	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	115.0392
Annotation	cis-Acetylacrylate
Peak:m/z	Relative Intensity
50.99775	0.4
51.02385	1.0
51.65798	0.5
53.03960	48.2
55.01874	1.1
57.03436	5.2
59.05012	0.6
59.41304	0.4
60.05780	0.4
61.20179	0.4
64.41164	0.5
66.35887	0.4
69.03432	36.5
71.01346	3.1
71.02991	0.5
71.04990	0.7
71.53062	1.0
73.02919	100.0
80.03538	0.6
80.53591	0.8
83.27062	0.5
85.02903	11.9
87.04468	2.0
88.46201	0.5
90.31407	0.5
97.02890	17.1
115.03929	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	116.0709
Annotation	Proline
Peak:m/z	Relative Intensity
56.05082	0.1
56.96576	0.5
57.04997	0.1
58.04094	0.2
60.82303	0.1
66.38787	0.1
68.05032	0.2
70.06595	100.0
74.02437	1.0
74.06075	1.4
86.06059	0.2
88.03962	0.1
92.20942	0.1
98.06060	0.1
99.00837	0.1
116.07092	25.4
116.08205	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	118.0653
Annotation	Indole
Peak:m/z	Relative Intensity
55.05539	0.6
58.03255	0.5
62.58992	0.6
67.25990	0.5
72.08154	5.1
75.76357	0.5
79.48906	0.5
88.90247	0.6
91.05486	8.4
100.02492	4.0
118.06542	100.0
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	Phenylacetonitrile
Peak:m/z	Relative Intensity
51.02392	2.0
53.03782	0.6
53.03961	9.4
55.05508	1.2
60.82477	0.7
72.08163	16.6
77.03937	3.4
81.03439	1.3
87.93485	0.7
90.05549	0.9
95.04972	44.4
100.02479	3.4
105.04522	14.6
118.06549	100.0
118.07333	7.3
118.08568	2.6
130.25061	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	118.0865
Annotation	L-Norvaline
Peak:m/z	Relative Intensity
53.03950	0.2
55.05519	9.6
56.05041	0.5
56.96576	1.0
57.03427	0.1
57.05832	0.8
58.06609	0.1
58.50535	0.1
58.99864	1.3
59.04992	0.1
67.51080	0.1
70.01328	0.2
70.06564	0.1
72.04528	0.5
72.08157	100.0
76.51590	0.6
76.93348	0.1
77.00900	0.8
79.01852	1.2
82.01447	5.9
86.03568	0.2
88.02355	1.4
97.02873	0.1
100.02481	21.8
100.07606	0.2
101.05997	0.9
118.03516	7.9
118.08648	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	119.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19050	0.5
50.19287	0.5
57.10747	0.5
58.99865	0.9
59.03550	0.5
59.99942	7.9
62.10466	0.4
77.00891	0.8
78.00996	1.4
83.01508	38.0
83.03300	0.5
84.92524	0.5
85.30015	0.5
87.53401	0.5
88.66017	0.6
92.75628	0.5
100.02489	3.5
101.00893	17.1
101.02561	100.0
119.01918	75.5
119.03606	37.3
137.02956	19.8
137.04585	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	119.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	1.7
66.46309	0.8
67.02974	1.1
72.35039	0.9
73.04826	1.0
73.08485	2.1
81.98866	1.0
83.01529	2.3
84.16694	0.9
91.05479	40.8
92.02477	6.8
100.37977	0.9
101.00883	4.7
101.02541	7.7
115.95335	1.0
118.96780	1.6
119.01907	20.6
119.03551	100.0
119.04842	17.2
119.05820	1.6
119.06070	1.4
137.02916	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	119.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77779	0.2
65.03951	4.0
67.77980	0.2
79.05503	2.5
84.44196	0.2
84.82328	0.2
91.05484	59.4
93.07031	2.3
94.22321	0.2
95.04974	1.4
103.05487	2.8
103.61063	0.2
104.06249	3.4
109.06518	0.4
115.05466	1.0
117.07027	8.6
119.04942	28.8
119.08580	100.0
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	Unknow
Peak:m/z	Relative Intensity
52.53283	0.2
55.20072	0.2
63.73802	0.2
65.03938	0.2
65.06633	0.2
68.99454	0.2
79.05487	2.3
91.05483	25.2
93.07050	1.8
95.04964	0.9
96.05308	0.6
103.05455	2.4
104.06258	3.0
105.04491	0.3
115.05468	0.3
117.07018	7.7
117.07803	0.5
119.06841	2.5
119.08577	100.0
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	Unknow
Peak:m/z	Relative Intensity
52.12689	0.2
53.03974	0.3
65.03947	1.6
72.59142	0.3
79.05483	2.3
91.05483	38.9
93.07037	1.7
95.04952	0.3
103.05463	3.2
104.06251	3.7
109.06540	0.4
109.11618	0.3
115.05443	1.4
117.07019	9.6
119.04942	9.8
119.08581	100.0
121.06509	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	119.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
59.37215	0.4
79.05490	1.8
91.05480	25.7
93.07021	2.1
95.04974	0.7
96.05336	0.8
103.05462	2.5
104.06248	2.4
109.06490	0.5
115.05373	0.5
117.07013	10.4
119.08576	100.0
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	Unknow
Peak:m/z	Relative Intensity
51.19416	0.3
51.34349	0.3
53.03958	0.3
63.42839	0.3
65.03951	0.5
72.23959	0.3
77.11344	0.3
79.05491	1.8
91.05482	30.0
93.07037	1.9
95.04983	0.8
96.05300	0.5
102.94200	0.4
103.05465	2.6
104.06236	2.9
105.04559	0.5
109.06491	0.6
115.05475	0.6
117.07027	8.1
118.64427	0.4
119.06841	2.3
119.08580	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15551	0.8
52.94576	0.9
57.07084	100.0
63.04503	7.1
65.03938	4.3
69.26659	0.9
83.77610	1.0
91.05483	84.1
91.80565	0.9
95.04971	1.2
97.67826	0.9
116.70934	1.1
117.07037	5.5
119.03595	1.4
119.04943	39.7
119.06831	2.3
119.08582	58.5
119.09441	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	120.081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.4
54.44304	0.3
61.92352	0.3
65.12294	0.3
66.34039	0.3
69.54078	0.3
71.64838	0.3
77.03915	0.3
80.28481	0.3
91.05469	2.0
92.91936	0.3
93.07046	8.1
95.04940	0.6
97.56645	0.4
101.03646	0.3
103.05471	28.3
119.07308	0.4
120.08102	100.0
120.64918	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	121.0286
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
53.00288	0.2
54.32434	0.3
65.03952	17.9
80.42868	0.4
83.32738	0.3
93.03409	6.4
98.03673	0.5
100.33290	0.3
102.20311	0.3
104.05739	0.3
105.03121	0.3
111.04431	6.5
121.02872	100.0
121.03960	11.5
121.08442	0.5
129.19011	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	121.065
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02387	0.4
53.03962	2.7
55.01875	0.5
57.05361	0.3
65.03924	0.3
75.06406	1.1
77.03933	1.4
78.26194	0.2
79.05489	0.3
81.03432	0.4
83.66360	0.2
91.05482	21.8
92.80651	0.2
93.04530	0.3
93.07043	36.6
95.04967	11.7
102.04655	0.3
103.05473	32.1
105.04522	4.4
118.36679	0.2
121.04030	1.4
121.06506	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.6
55.05511	0.5
77.03932	0.6
79.05072	0.6
79.05498	10.6
91.05482	7.0
93.06482	0.7
93.07043	18.2
95.04963	4.5
103.05475	5.0
105.04539	1.8
105.07035	58.4
106.07825	3.1
119.08578	8.9
120.05791	0.5
121.06513	19.2
121.10141	100.0
123.08060	13.1
133.07622	7.5
134.87279	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	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10574	0.3
58.99860	1.9
82.01450	41.4
86.80663	0.3
88.02355	0.4
88.13596	0.3
100.02483	100.0
102.02894	0.4
118.03515	31.9
123.04128	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	123.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.3
56.96329	0.4
56.96578	7.3
58.50536	0.6
65.03958	0.6
67.05179	0.6
67.05513	11.0
67.05876	0.4
67.51070	2.5
68.99792	0.3
70.01309	0.5
76.51597	2.9
79.01863	8.2
79.52043	3.1
80.05024	0.4
81.07074	1.6
82.01446	0.4
82.85126	0.4
88.02374	8.7
88.52574	4.6
93.39232	0.4
95.04965	18.6
95.08611	0.7
97.02885	1.6
97.53055	0.4
100.02461	2.4
118.03504	0.7
123.04430	100.0
123.05482	4.5
123.08062	3.2
123.11700	0.8
127.01182	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	123.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.3
55.05505	0.2
56.96576	4.2
57.07073	0.6
58.50547	0.3
65.03944	1.2
67.05515	11.9
67.51073	0.6
68.99768	0.2
76.51585	1.2
79.01862	3.7
79.05487	0.3
79.52029	1.3
81.06615	0.4
81.07064	9.5
81.92040	0.3
82.01449	0.6
86.13860	0.3
88.02380	6.0
88.52574	3.3
95.04971	15.0
95.08606	1.4
97.02895	0.5
99.53102	0.4
100.02483	1.5
118.03513	0.4
123.04432	100.0
123.11710	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	123.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59800	0.4
55.01873	0.8
56.96580	8.5
58.99859	0.7
65.03944	1.8
67.05513	15.0
67.51083	3.6
68.99787	0.4
76.51591	2.0
79.01860	6.6
79.05515	1.7
79.52032	3.0
80.05029	2.3
81.03450	0.5
81.07069	6.9
82.01454	10.8
84.50674	0.4
88.02378	9.2
88.52544	5.5
93.07039	1.1
94.06586	0.6
95.04391	0.8
95.04976	21.1
95.06911	2.8
95.08607	7.4
96.04539	0.4
97.02890	0.6
100.02489	42.2
105.04497	0.6
105.07051	1.0
106.02848	0.4
106.07381	1.9
108.05685	0.4
118.02718	0.8
118.03525	17.4
123.04432	100.0
123.05531	20.5
123.06360	2.3
123.08081	13.3
123.09186	2.2
123.11691	3.1
143.44576	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	123.0555
Annotation	Isonicotineamide
Peak:m/z	Relative Intensity
53.03954	0.6
53.60711	0.1
56.96565	0.6
58.99860	0.2
67.05499	0.7
73.97879	0.1
76.51588	0.1
77.00918	0.2
79.01855	0.5
79.05476	0.2
79.52006	0.1
80.05023	12.3
81.04528	0.2
81.07052	0.6
82.01450	4.5
85.56303	0.1
88.02374	0.3
88.24829	0.1
88.52572	0.2
95.04970	5.2
95.06048	0.3
95.08594	0.3
96.04491	3.9
96.08126	0.1
100.02486	20.8
105.04497	0.2
106.02937	0.7
118.03520	8.4
123.05553	100.0
123.09080	1.6
124.03963	1.0
141.05023	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	123.0806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.2
54.07919	0.2
55.01878	0.4
55.05520	11.5
56.96571	1.2
57.07085	1.1
65.03949	0.6
67.05512	55.6
74.18549	0.2
79.01869	0.9
79.05498	2.2
79.52036	0.4
80.06296	1.3
81.03434	0.6
81.07065	11.4
82.01433	0.9
88.02373	1.4
88.52546	1.0
91.05470	1.7
93.07048	12.3
95.04975	3.1
95.08611	100.0
97.53121	0.3
100.02486	2.6
105.07032	2.3
107.04938	0.2
108.05737	3.2
118.03527	0.5
121.06467	0.3
122.99923	0.3
123.05558	2.2
123.08067	32.7
123.10811	0.5
123.11697	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	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71604	1.2
54.08293	1.7
61.67264	1.4
82.01450	7.5
83.01518	31.9
100.02476	14.6
100.26373	1.6
101.00893	27.7
101.02559	80.1
118.03510	6.2
119.01919	100.0
119.03624	22.5
129.37003	1.6
137.02969	14.3
142.03514	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	124.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20189	0.4
54.03466	0.6
55.05513	3.4
56.05029	0.9
58.06614	3.7
58.91622	0.4
60.95852	2.8
67.05513	8.0
68.05042	0.6
69.50694	0.6
78.51202	0.7
79.00846	0.6
79.05502	24.8
80.05026	2.8
81.01505	5.7
81.07064	6.8
82.06592	7.3
82.07387	1.1
83.01505	0.6
83.07352	1.1
83.08609	4.1
83.75244	0.5
90.02013	7.6
91.05479	0.9
92.28177	0.5
92.43504	0.5
93.77316	0.6
95.08598	0.8
96.04494	6.0
96.08134	3.9
96.08871	0.7
97.10171	0.8
101.02553	4.0
105.07014	1.2
107.08597	17.7
119.03626	1.0
124.03960	43.8
124.05898	1.1
124.07623	5.3
124.08621	2.5
124.11230	100.0
140.03380	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44403	0.3
52.19573	0.3
55.05512	2.7
56.05038	2.6
57.07917	0.3
57.24983	0.3
58.06610	4.2
59.67739	0.3
60.95853	2.6
63.59440	0.3
67.05509	6.3
69.50699	0.5
70.06589	0.5
72.00991	0.4
75.30775	0.3
76.04425	0.4
78.51234	0.6
79.05501	23.4
80.05026	1.6
81.01511	4.9
81.07066	7.8
82.06591	8.2
83.07358	2.5
83.08631	2.8
87.67891	0.4
90.02027	5.3
91.05504	0.7
96.04482	2.8
96.08130	3.5
96.08972	0.4
99.02514	0.6
100.02470	0.5
101.02583	2.4
105.04438	0.4
105.07015	0.8
107.08599	14.9
109.08912	0.8
111.37251	0.4
124.03960	32.7
124.04943	1.4
124.05888	0.9
124.07582	2.3
124.08694	1.8
124.11231	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27902	0.8
52.89072	0.8
55.01871	4.6
55.05523	16.6
58.95638	0.9
64.68664	0.9
65.27184	0.8
69.03439	13.1
69.07074	2.5
69.52471	0.9
71.05035	0.9
73.25361	1.1
78.41693	1.0
79.05504	13.2
81.07068	16.9
83.04985	39.1
83.08611	5.5
91.05502	9.0
95.08601	1.3
97.06510	2.4
97.10162	2.0
101.30292	1.0
105.07037	2.4
107.08598	72.4
109.06493	4.4
119.06062	1.1
125.09630	100.0
133.25525	0.9
142.44142	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	125.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
53.23787	0.4
55.01891	4.3
55.05525	15.8
57.03440	0.6
64.97768	0.4
65.03922	0.6
67.05508	1.0
69.03437	13.4
69.07062	2.7
79.05502	12.6
81.07068	19.4
82.06591	1.0
83.04989	45.8
83.08643	5.1
91.05484	8.2
95.08614	1.1
97.02869	0.5
97.06535	4.1
97.10167	4.0
102.02233	0.5
105.07037	5.5
107.08601	66.6
109.06519	3.6
117.64739	0.4
119.06059	1.9
125.02367	0.5
125.06025	2.2
125.07104	2.3
125.09634	100.0
139.82356	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	125.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	4.3
55.05523	15.1
57.03438	0.8
59.05010	0.6
64.62744	0.6
65.03931	0.6
67.05481	0.8
69.03436	12.9
69.07078	2.7
71.04964	0.7
79.05500	12.3
81.07066	18.4
82.06591	1.0
83.04986	43.2
83.08617	4.3
91.05465	4.7
95.08607	1.0
97.06535	4.2
97.10160	3.3
105.07039	5.6
105.67981	0.6
107.08598	61.8
109.06489	4.5
111.02206	0.5
119.06099	1.0
125.02230	0.6
125.06014	1.4
125.07113	3.9
125.09629	100.0
135.59894	0.6
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	Unknow
Peak:m/z	Relative Intensity
55.01881	2.0
55.05518	14.5
69.03151	0.9
69.03437	13.1
69.07074	6.3
70.15353	0.9
79.05499	9.6
81.07065	14.8
82.06593	2.1
83.04988	42.9
83.08617	6.5
84.57104	0.9
91.05482	8.5
95.08662	1.2
97.06534	4.2
97.10185	5.0
105.07019	4.6
107.08595	63.5
109.06518	1.8
125.06036	1.7
125.07101	4.3
125.09631	100.0
137.12697	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	125.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	4.7
55.05519	17.9
59.78727	0.8
64.27962	1.0
67.05490	1.6
67.06531	0.9
68.66965	0.9
69.03436	11.4
69.07063	4.0
71.05016	1.1
71.19189	0.9
78.51219	0.8
78.75974	0.9
79.05508	10.7
81.07062	22.4
82.06585	5.9
83.04537	1.7
83.04987	32.5
83.08628	4.0
84.04565	1.2
85.19914	0.9
90.02035	1.4
91.05481	6.3
97.02864	1.1
97.06538	3.8
97.10165	5.3
102.02238	1.3
103.99658	1.0
105.07045	5.0
107.08598	46.8
109.06516	2.0
119.06065	1.7
125.02327	1.5
125.04347	1.1
125.06007	6.5
125.07122	9.4
125.09632	100.0
137.52911	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	125.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.4
55.05521	20.6
57.03450	1.5
67.05520	1.9
69.03441	13.3
69.07058	4.9
69.55324	1.0
79.05505	14.8
81.06686	1.2
81.07075	17.6
82.06598	1.5
83.04985	42.2
83.08620	4.0
83.86127	1.1
84.04467	1.5
86.38378	1.0
90.01999	1.2
91.05477	4.9
97.06544	5.2
97.10204	8.1
102.02264	1.2
105.07040	5.3
107.08593	53.8
109.06519	2.5
118.47549	1.0
125.06001	4.7
125.07130	9.2
125.09632	100.0
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	Unknow
Peak:m/z	Relative Intensity
53.00309	0.6
53.60106	0.3
55.01881	3.4
55.05281	0.7
55.05520	14.2
57.07072	0.4
61.75384	0.4
63.48735	0.4
67.05508	0.9
69.03436	10.7
69.07063	2.6
79.05495	12.2
81.07063	17.7
82.06568	0.7
83.04984	41.4
83.08625	3.8
90.01947	0.4
91.05479	6.9
95.08599	1.6
97.06528	3.9
97.10155	3.0
101.44521	0.5
105.07030	6.2
107.04951	0.5
107.08596	61.0
108.78343	0.4
109.06508	2.8
110.07253	0.4
111.91083	0.4
119.06058	0.9
125.07161	1.5
125.09628	100.0
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	Unknow
Peak:m/z	Relative Intensity
53.00299	0.8
55.01879	3.8
55.05523	15.5
57.03435	0.7
67.87031	0.7
69.03435	11.3
69.07054	3.9
71.93434	0.7
79.05509	12.4
79.60479	0.7
81.07063	15.5
83.04990	43.8
83.08608	5.0
91.05471	5.5
95.08581	1.1
97.06525	3.5
97.10181	1.3
105.07038	6.2
107.08600	60.6
109.06509	4.1
112.51153	0.7
112.78115	1.0
119.06113	2.7
125.09630	100.0
133.47162	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	127.039
Annotation	4-HYDROXY-6-METHYLPYRAN-2-ONE
Peak:m/z	Relative Intensity
53.03958	22.3
55.42539	0.5
57.03440	1.2
61.83916	0.4
63.05257	0.4
64.24500	0.5
66.82277	0.5
69.03082	0.5
69.03416	4.4
70.25061	0.6
71.04993	20.9
72.06354	0.5
81.03422	53.9
83.01346	0.8
85.02917	2.3
89.06005	0.5
97.02889	7.0
99.04455	100.0
102.45911	0.5
104.45720	0.5
109.02879	18.3
111.82218	0.6
127.03905	20.8
128.77425	0.6
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	4-HYDROXY-6-METHYLPYRAN-2-ONE
Peak:m/z	Relative Intensity
50.54047	0.2
53.03763	0.3
53.03965	3.6
53.85207	0.2
55.01880	0.7
57.03433	0.4
60.61614	0.3
62.06793	0.2
62.69236	0.3
63.71879	0.2
67.01863	0.4
67.05502	0.3
67.93562	0.4
69.03440	3.3
71.01366	2.3
71.05000	2.0
71.32894	0.3
79.05485	0.6
81.03426	18.0
81.07063	2.8
82.02953	0.4
84.04519	0.3
84.08148	1.7
85.02900	1.5
85.06544	4.5
86.09676	0.3
96.89120	0.3
97.02910	0.4
98.98493	0.3
99.04447	2.8
109.02886	6.2
109.04047	0.3
109.06525	1.2
110.02396	0.6
121.37252	0.2
127.03922	100.0
127.04971	4.3
133.41377	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	Unknow
Peak:m/z	Relative Intensity
53.03960	10.0
54.29641	0.3
55.01880	4.9
55.05508	2.4
55.63176	0.3
56.05026	0.5
57.03439	3.2
57.07075	0.5
58.06604	0.5
59.04987	0.5
59.92706	0.4
64.03575	0.3
65.03950	0.7
67.01872	2.9
67.05511	29.9
67.93570	3.8
68.02638	0.5
69.03053	0.5
69.03429	11.3
69.07071	4.6
71.01353	3.8
71.04997	13.3
73.53475	0.4
79.05489	1.7
81.03423	50.4
81.07059	9.5
82.06586	0.4
83.01330	0.6
83.04967	0.5
83.08612	1.4
84.01563	0.4
84.08141	4.6
85.02912	5.3
85.06513	3.5
86.06072	2.8
86.09723	0.5
97.02890	7.6
98.98458	2.8
99.04456	13.3
103.95643	0.6
104.52869	0.4
107.08601	0.5
109.02879	23.8
109.06515	2.1
109.09430	0.8
109.10158	16.7
110.02367	0.4
112.01618	0.5
121.96609	0.4
127.03916	100.0
127.07404	2.1
127.08700	2.1
127.09528	0.5
127.11155	2.7
127.13138	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	127.039
Annotation	5-Hydroxymethyl-2-furaldehyde
Peak:m/z	Relative Intensity
50.95617	0.5
51.33570	0.6
53.00316	0.7
53.03960	21.9
53.99885	0.5
55.01871	1.2
57.03442	2.5
57.74384	0.5
67.01875	0.7
69.03436	4.5
69.77330	0.5
71.04995	22.8
74.57511	0.5
81.03423	56.4
81.07060	0.8
84.92455	0.7
85.02905	1.2
86.06062	0.8
89.06055	0.7
97.02901	8.1
99.04458	100.0
105.47375	0.6
109.02881	20.4
127.03918	24.5
138.21962	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0392
Annotation	4-HYDROXY-6-METHYLPYRAN-2-ONE
Peak:m/z	Relative Intensity
53.03956	2.8
55.01883	2.2
55.05515	0.3
56.05041	0.2
57.03431	1.4
58.06602	1.3
67.01885	0.9
67.05515	2.7
67.93572	1.2
69.03437	3.6
69.07056	1.3
71.01371	0.6
71.04994	3.8
79.05499	0.5
81.03428	10.7
81.07073	3.9
83.01334	0.3
83.04958	0.3
84.01572	0.3
84.08150	13.6
85.02908	1.1
85.04027	0.3
85.06537	1.0
86.06068	7.1
86.09701	0.5
90.25611	0.2
93.02080	0.4
95.04975	1.5
97.02887	1.9
98.98456	1.2
99.04459	4.3
99.08094	0.9
103.95698	0.3
109.02886	10.1
109.04841	0.3
109.06516	1.4
109.07669	0.3
109.10157	2.3
117.93622	0.2
126.97344	0.2
127.03923	100.0
127.07473	2.1
127.08675	1.4
127.11220	0.5
127.12312	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	127.0391
Annotation	Triacetate lactone
Peak:m/z	Relative Intensity
51.02389	0.4
53.00322	0.4
53.03958	15.6
55.01879	4.6
55.05510	0.9
55.79025	0.4
57.03448	4.4
57.07087	0.5
58.06606	0.5
64.15508	0.5
67.01872	3.6
67.05518	1.0
67.93577	4.7
68.02661	0.7
69.03055	0.8
69.03435	22.9
69.07075	0.5
69.45118	0.4
71.01357	7.9
71.04997	16.1
79.63583	0.4
81.03425	85.1
81.07069	8.4
82.02947	1.0
83.01340	3.1
83.04995	0.8
84.04516	1.0
84.08150	8.4
85.02924	6.6
85.06548	5.2
85.94611	1.0
86.06066	1.0
86.09692	2.0
94.52461	4.3
97.02892	6.8
98.98468	2.5
99.04458	14.0
99.05505	0.6
99.09258	0.7
103.95683	0.9
109.02884	29.7
109.03996	0.8
109.06528	2.5
109.10149	0.7
110.02430	0.7
117.93615	0.5
126.97238	0.8
127.03922	100.0
127.04987	7.7
127.05914	2.3
127.07483	2.7
127.08690	2.2
127.09564	0.7
127.12287	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	127.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.1
55.01886	0.1
56.05030	0.2
58.06606	9.6
61.29256	0.1
69.03439	0.3
70.06599	0.8
71.04962	0.1
75.04843	0.1
80.37016	0.1
81.03426	0.6
82.06560	0.2
84.08145	100.0
84.79716	0.1
85.07642	0.5
93.85045	0.1
99.04465	0.1
109.02878	0.6
109.07556	0.1
110.05460	0.2
110.07133	0.1
126.97288	0.1
127.03944	1.0
127.04831	0.1
127.06192	0.2
127.07007	1.1
127.08718	0.1
127.09778	0.4
127.12316	6.3
127.13154	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	128.0707
Annotation	L-Baikiain
Peak:m/z	Relative Intensity
53.00308	0.3
53.03934	0.2
53.10178	0.2
55.01876	0.9
55.02997	0.3
55.05522	2.6
56.05035	1.4
56.96578	0.3
57.03450	0.3
57.07074	0.3
58.02951	0.4
58.06601	0.6
60.04518	0.2
60.35642	0.2
63.24808	0.2
67.05504	0.3
68.05031	35.9
68.96348	0.3
69.03428	1.7
69.07085	0.2
70.03763	0.5
70.06603	0.8
71.01346	0.2
72.04501	0.3
81.03412	0.5
82.02956	0.5
82.03760	2.9
82.06581	8.2
83.04958	0.4
83.08617	1.7
84.05631	2.3
84.08141	1.1
85.07666	1.7
86.06071	4.9
87.04464	1.8
87.06392	0.4
95.53164	0.2
96.04482	2.3
98.03230	0.2
98.09704	0.4
98.97616	0.3
100.02477	0.2
100.03975	0.3
100.07621	4.3
100.11182	0.2
105.04301	0.3
108.51408	0.2
110.03242	1.0
110.06055	2.5
110.07165	1.9
110.09679	3.4
111.00799	0.4
111.04466	0.8
113.96371	0.3
114.05525	94.0
128.03447	1.1
128.04556	10.7
128.07077	100.0
128.08122	5.2
128.10709	58.4
128.14345	6.7
146.24300	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	128.1071
Annotation	N-Cyclohexylformamide
Peak:m/z	Relative Intensity
53.14073	0.3
54.30510	0.3
54.35479	0.4
55.01879	6.5
55.05520	19.0
57.07072	2.8
58.06599	0.6
58.41388	0.4
67.05486	0.4
67.74800	0.3
68.05010	0.5
69.07072	34.6
70.06585	1.8
72.04506	2.7
82.06581	2.1
83.08626	63.3
84.08145	1.6
85.10175	7.0
86.06071	5.6
86.09708	17.7
87.04470	1.9
92.20979	0.4
93.07039	0.9
100.07616	1.0
105.33531	0.5
106.10310	0.5
110.06048	0.8
110.09688	4.1
111.08080	21.9
128.04318	1.7
128.07098	4.9
128.10716	100.0
128.14349	3.9
129.09122	2.6
139.32623	0.5
141.61598	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	128.1435
Annotation	Coniine
Peak:m/z	Relative Intensity
53.03964	0.2
55.05519	10.1
56.05042	0.3
56.10965	0.1
56.51855	0.1
56.96575	1.8
57.03449	0.2
57.07080	0.2
57.96569	0.2
58.02953	0.2
58.06603	0.3
59.05003	0.7
68.05034	2.0
69.03406	0.2
69.07076	1.2
69.11260	0.1
70.06605	0.3
72.05293	0.1
81.03410	0.3
82.02957	0.2
82.03757	0.8
82.06583	3.6
82.07359	0.2
83.04986	0.3
83.08624	30.2
84.69286	0.1
85.02336	0.2
86.06069	0.7
86.09702	1.0
86.68055	0.2
87.04466	0.8
91.02332	0.2
96.03360	0.2
96.04524	0.2
98.09679	0.7
100.07602	1.4
100.11214	0.2
105.03886	3.9
108.43900	0.1
110.03214	0.2
110.06030	3.2
110.09693	3.7
110.10392	0.3
111.08068	0.7
111.09260	0.3
114.04398	1.7
114.05517	1.2
114.54547	0.2
123.76189	0.1
128.03406	0.3
128.04187	1.4
128.07091	5.3
128.10719	62.0
128.14352	100.0
129.67181	0.1
131.12971	0.2
133.01729	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	130.0652
Annotation	3-Methylindole
Peak:m/z	Relative Intensity
51.25771	0.2
54.52421	0.2
54.64638	0.2
70.06592	0.2
74.09736	0.2
77.41054	0.3
84.04514	1.5
84.08134	1.5
87.00469	4.0
95.04967	0.4
95.22433	0.2
96.00981	0.4
102.01237	0.2
103.05432	1.7
103.68583	0.2
113.96399	0.9
130.06523	100.0
130.15923	1.4
131.82260	0.2
131.97418	0.3
141.97321	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	L-Pipecolate
Peak:m/z	Relative Intensity
55.05516	2.5
55.93540	0.6
55.96981	0.4
56.05043	3.6
56.05851	0.5
57.03441	0.4
57.07081	3.8
58.04074	0.5
60.04528	10.0
60.04807	0.7
66.49156	0.5
66.58331	0.4
67.05510	1.9
67.51177	0.3
69.03443	0.8
69.07054	0.5
70.06593	97.2
70.94254	6.6
70.95853	6.0
71.04984	1.0
72.93816	0.5
74.02451	0.5
74.09728	3.8
77.99921	4.5
78.98212	0.4
81.03411	0.4
83.93611	0.4
84.04505	56.0
84.05602	2.1
84.08144	31.7
85.02897	1.8
85.06535	2.0
85.07695	0.4
85.08476	2.1
85.10170	1.1
86.50630	3.0
87.00465	82.7
87.04460	0.4
87.08105	5.4
88.04004	0.9
88.07637	2.5
88.95307	4.3
88.96912	4.0
90.94806	1.1
95.04980	0.4
96.00978	19.7
98.06078	0.5
98.51238	9.3
101.27338	0.4
102.05548	2.1
102.09176	2.3
103.05460	2.6
106.96317	0.7
108.95859	0.6
111.96861	2.7
111.98463	0.7
112.07579	1.1
113.06016	0.8
113.07117	0.7
113.96400	15.6
116.07079	8.2
129.97913	3.1
129.99524	0.8
130.05077	16.0
130.06525	100.0
130.08611	22.1
130.11417	0.7
130.12288	2.4
130.15910	22.1
130.97652	0.5
131.97426	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	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.2
53.03947	0.4
55.05533	0.2
55.64828	0.1
57.03434	0.3
58.70779	0.1
60.05650	0.8
61.45549	0.2
62.60434	0.1
64.26429	0.2
67.05515	1.3
71.04990	2.1
71.73740	0.1
71.81937	0.2
71.94098	0.9
72.07850	0.1
72.08157	2.3
73.01041	0.1
77.03929	0.3
78.50037	0.2
81.41042	0.2
85.04835	0.3
85.06530	1.1
87.00451	0.2
94.63810	0.2
95.04954	2.2
97.00970	0.6
97.07660	0.2
102.04745	0.2
103.05469	100.0
105.04526	0.4
113.06004	0.8
114.10294	0.8
131.04915	4.5
131.06934	0.3
131.11789	1.2
131.12794	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	131.9615
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66196	0.1
55.93534	0.8
56.05053	0.1
56.96572	1.5
57.03450	1.1
58.87542	0.1
58.99883	0.2
59.52203	0.1
60.04530	0.4
61.01149	0.2
66.03085	0.1
66.53004	0.3
67.05491	0.2
67.51083	0.2
69.03433	0.3
69.96186	1.1
71.94103	3.7
72.93790	100.0
74.94218	0.2
76.51578	2.2
77.00925	0.3
78.52956	0.2
79.01865	0.6
79.51934	0.4
81.03426	1.7
82.01450	1.1
85.02922	0.2
85.52108	1.0
86.09705	1.0
87.53452	0.2
88.00478	1.6
88.02354	1.9
88.50678	0.1
89.00223	0.2
89.95141	0.9
90.94827	68.2
95.08607	0.2
97.01003	1.4
97.02890	1.0
97.51160	0.2
99.53465	0.2
99.55281	0.2
100.02480	6.5
100.90974	0.2
100.94363	0.3
101.02531	0.2
104.96379	0.1
107.05317	0.2
108.55838	0.3
108.95863	14.2
109.02892	0.2
109.05002	0.3
113.96397	57.5
114.04034	1.7
114.05543	0.2
115.96409	0.2
118.03521	2.7
119.01921	0.7
120.03313	0.1
120.53964	0.3
120.55817	0.3
131.96234	1.4
131.97427	29.3
131.99591	0.6
132.05116	1.5
132.06554	2.0
141.02689	0.6
142.03490	0.6
149.97203	3.8
149.98419	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	132.0211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05340	0.8
56.05037	4.8
57.05375	2.1
58.02982	1.0
58.04093	21.3
58.06595	2.5
59.04886	1.0
60.05665	7.9
63.03913	0.9
69.07076	12.6
70.06593	5.4
72.04524	67.9
72.05641	11.4
72.08154	1.1
73.02917	1.5
74.06059	1.2
74.52670	1.4
76.04707	1.8
76.05133	37.2
81.03471	1.1
84.05642	5.0
86.07191	2.6
86.09713	100.0
87.05593	2.2
90.05560	16.7
95.35236	1.2
98.06058	2.2
100.02505	2.0
100.05119	6.0
114.06661	27.5
114.09175	8.5
115.05046	5.1
115.08727	2.1
115.09488	1.1
118.03495	1.3
132.07697	64.5
132.09279	2.4
132.10217	33.5
132.11235	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	132.0808
Annotation	Tolylacetonitrile
Peak:m/z	Relative Intensity
54.47096	0.2
55.44426	0.2
55.93531	0.3
56.05056	0.2
57.03443	0.9
58.02974	0.3
58.06601	0.2
69.07066	2.6
72.04535	0.3
72.08114	0.3
72.93791	24.5
74.48669	0.2
86.06068	0.3
86.09708	38.8
88.00475	0.3
88.02346	0.3
88.50637	0.2
89.00282	0.5
90.94254	0.4
90.94827	9.1
91.05467	1.0
97.51202	0.3
98.00806	0.5
104.04958	0.4
104.05658	0.2
105.07036	2.3
108.95843	1.2
113.96398	12.5
114.05592	0.2
115.05450	4.0
117.05754	11.6
117.06593	0.4
129.53999	0.2
130.06526	2.2
131.07257	1.5
131.97444	4.4
132.04497	3.1
132.08089	100.0
133.06477	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	132.102
Annotation	Leucine
Peak:m/z	Relative Intensity
61.29030	0.1
69.07066	0.9
69.11591	0.1
71.82279	0.1
72.93790	0.3
82.70927	0.1
83.50343	0.1
86.09707	100.0
101.64155	0.1
109.33459	0.1
132.10211	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	133.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	55.9
59.04995	4.0
63.31776	1.4
65.48727	1.4
65.69128	1.5
69.03437	100.0
69.47304	1.7
71.27680	1.5
73.02929	3.0
73.98487	1.6
74.02448	22.4
75.04478	8.6
79.05518	1.7
85.02912	67.5
87.04485	18.4
87.05601	9.2
88.02221	2.9
91.05492	10.2
92.74368	1.7
97.02884	11.4
105.07043	39.2
128.57607	2.1
131.08549	2.4
133.02867	2.2
133.06519	58.5
133.10147	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	133.0496
Annotation	Glutarate
Peak:m/z	Relative Intensity
53.00326	0.7
53.77877	0.6
55.05286	0.8
55.05526	17.2
57.03448	37.1
59.05009	7.6
69.03438	70.6
69.07084	13.5
70.02969	1.0
73.02933	1.8
73.06561	80.3
74.02444	37.2
75.04495	7.3
79.05511	0.9
85.02912	44.7
87.04474	100.0
87.05586	18.5
87.10040	1.6
88.03981	4.1
91.05483	3.8
97.02888	10.5
97.06565	1.4
97.10185	5.9
105.07039	14.6
108.92273	0.7
115.03918	1.2
115.07574	8.2
116.03460	3.1
130.37196	0.7
133.04843	1.7
133.06520	7.7
133.08546	1.5
133.10144	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	133.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28006	0.6
53.03958	1.1
55.01878	1.8
55.05519	13.4
56.22526	0.6
57.03445	26.6
59.05003	5.5
59.17764	0.7
69.03434	45.3
71.44038	0.6
73.02921	0.8
73.06557	9.9
74.02443	14.4
75.04488	6.9
77.03943	0.7
79.05491	4.7
81.50513	0.7
85.02905	28.0
86.09694	1.5
87.04473	12.3
87.05592	7.5
87.06339	0.7
87.10037	10.7
88.04003	0.9
91.05479	14.9
92.05831	5.2
93.07047	1.6
95.04963	1.0
97.02910	7.5
97.10189	5.4
103.05453	1.5
105.03384	1.5
105.07035	100.0
115.05477	3.2
116.03439	1.2
131.08531	3.8
133.02855	7.1
133.03784	0.7
133.05028	0.9
133.06505	32.1
133.07541	2.4
133.10129	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	133.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.1
68.01861	0.1
74.02442	3.2
79.05499	2.7
87.05605	1.8
88.03975	0.4
91.05463	1.1
94.04198	0.2
95.04959	0.7
103.05474	2.3
105.07037	41.6
107.04912	0.3
115.05471	1.0
116.03464	0.2
131.04955	0.4
133.06494	100.0
133.09953	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	133.086
Annotation	6-Hydroxyhexanoic acid
Peak:m/z	Relative Intensity
51.92449	1.1
53.00326	1.4
53.03963	1.5
54.58611	1.2
55.05275	1.8
55.05519	23.4
57.03447	13.6
57.24408	1.1
59.05001	2.7
69.03062	1.6
69.03435	39.1
69.07071	10.3
73.02935	1.6
73.06560	92.3
74.02445	27.5
75.04469	2.8
85.02907	16.1
87.04471	100.0
87.05582	14.6
88.03970	2.6
91.05488	2.8
97.02905	6.1
97.10155	6.4
98.28256	1.3
105.07027	22.0
115.07549	10.0
133.02907	2.2
133.04884	2.0
133.06522	18.8
133.10136	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	133.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	2.8
55.08023	0.3
65.03928	0.3
68.51125	0.3
71.04989	0.3
73.06567	0.4
74.02439	3.8
78.29216	0.3
79.05491	0.8
79.64243	0.3
80.14797	0.4
85.02878	0.3
87.04464	0.6
87.05583	1.9
87.10035	0.5
91.05492	5.6
93.07057	2.0
97.10184	0.5
105.06325	0.8
105.07037	23.1
107.08614	0.4
115.05439	1.5
115.53549	0.3
117.06988	1.2
118.07803	1.8
131.08565	5.4
133.06569	2.5
133.10129	100.0
139.68214	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	Unknow
Peak:m/z	Relative Intensity
55.05509	0.2
76.45866	0.2
79.05492	0.9
91.05472	3.9
92.21166	0.2
93.07038	1.6
95.04915	0.2
96.53153	0.2
103.05457	0.3
105.07037	14.4
107.08569	0.3
115.05459	1.0
117.07027	1.1
118.07796	1.8
131.08575	2.5
133.10130	100.0
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	Unknow
Peak:m/z	Relative Intensity
52.77172	0.2
55.09744	0.2
56.45010	0.2
74.02451	0.5
79.05482	1.2
91.05484	4.6
93.07046	1.0
103.05455	0.5
105.07042	15.2
115.05448	1.1
116.06271	0.3
117.07013	1.1
118.07822	2.0
131.08595	2.8
133.06470	1.2
133.10132	100.0
135.31178	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	133.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.5
69.49400	0.2
73.95541	0.2
74.02434	0.5
79.05486	0.8
91.05478	4.2
93.07065	1.5
95.78989	0.2
105.07037	14.4
107.08610	0.3
115.05459	1.0
117.06980	1.4
118.07813	1.8
128.27818	0.2
131.08562	2.5
133.02901	0.2
133.06596	1.4
133.10130	100.0
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	Unknow
Peak:m/z	Relative Intensity
52.02411	0.2
52.06012	0.2
53.67438	0.2
62.66646	0.2
71.51714	0.2
74.02460	0.4
79.05486	0.5
80.59655	0.2
88.15903	0.2
91.05486	4.7
92.21384	1.2
93.07055	1.9
103.05460	0.4
105.07040	17.1
107.76991	0.2
115.05458	1.1
117.07011	1.1
118.07795	1.7
131.08574	2.9
133.10133	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	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
50.37241	0.5
50.93800	0.3
54.11194	0.5
55.05520	3.6
65.03949	0.8
67.05511	7.8
70.91970	0.5
71.91982	0.6
74.02435	0.7
75.00232	0.5
79.05494	6.9
91.05482	100.0
92.05836	1.2
92.21026	1.0
93.07034	1.0
95.04964	0.7
95.42566	0.5
95.95872	0.5
97.63083	0.5
105.07034	72.8
115.05481	0.9
118.07818	0.8
131.08566	5.8
133.06546	4.5
133.10129	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	135.0804
Annotation	Chavicol
Peak:m/z	Relative Intensity
54.45948	0.3
60.21135	0.3
65.03937	1.3
65.27864	0.3
66.87311	0.3
67.05526	0.4
71.02978	3.6
79.05491	3.6
80.03503	2.2
82.53764	1.7
91.05480	11.6
91.54311	0.7
93.07011	0.6
94.06574	0.7
105.07037	9.0
107.08591	100.0
109.06516	6.8
112.51981	0.3
114.87184	0.3
119.06046	3.6
135.08047	11.4
135.11691	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	135.0805
Annotation	Chavicol
Peak:m/z	Relative Intensity
55.01883	13.3
55.05506	0.5
57.82583	0.5
63.96141	0.4
64.10203	0.4
65.03952	0.8
65.86275	0.4
67.05513	4.9
69.03438	0.5
69.07082	0.6
71.02993	2.0
79.05499	100.0
80.03498	0.4
81.03429	0.5
82.53778	0.7
91.05484	14.0
93.07050	15.4
94.50309	0.6
95.04972	2.9
105.04527	0.7
105.07042	4.4
107.04962	13.7
107.08595	47.8
109.06525	2.9
115.05463	4.5
116.98565	0.7
117.07017	13.7
119.06054	1.0
119.08566	5.4
121.75401	0.5
132.82675	0.6
135.04453	3.5
135.05539	33.7
135.08057	87.1
135.11699	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	135.1168
Annotation	(S)-(-)-Perillyl alcohol
Peak:m/z	Relative Intensity
55.05511	3.7
67.05510	17.1
69.07067	3.8
71.02985	3.4
71.89388	0.6
75.35127	0.6
79.05505	29.4
80.03506	0.9
81.07076	8.8
91.05482	5.4
93.07051	51.1
95.05005	1.1
105.07047	1.5
107.04974	1.0
107.08601	46.4
109.06480	0.7
117.07087	0.6
133.10149	0.7
135.08119	6.9
135.11703	100.0
139.37318	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	135.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47807	0.2
53.03949	0.8
54.34571	0.2
55.05280	0.3
55.05521	5.4
57.07083	0.4
65.03940	0.2
67.05520	2.1
69.07073	3.1
70.24282	0.2
71.02991	0.2
77.03912	0.3
79.05498	12.1
81.07069	2.5
91.05479	10.0
93.07044	55.7
94.07819	0.9
95.04964	2.2
105.04542	1.1
105.07037	4.5
107.04953	0.8
107.08598	100.0
109.06544	2.6
117.07014	0.2
119.06051	1.1
119.08594	1.9
120.09349	0.5
135.04436	0.3
135.08104	2.5
135.11696	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	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.8
54.48085	0.6
55.05516	4.4
57.07087	1.2
64.56397	0.6
67.05521	1.7
69.07084	1.7
71.02979	8.2
72.04532	1.3
73.66558	0.8
79.05504	15.6
80.03500	1.9
81.07065	3.6
82.53794	1.6
91.05481	16.8
92.59013	0.9
93.07047	50.5
94.06594	1.2
95.04980	1.5
98.97544	0.9
104.78986	0.7
105.07056	7.4
107.04966	2.9
107.08602	100.0
109.06535	3.2
115.05433	1.7
116.98585	0.8
117.07036	1.6
119.06102	1.6
119.08596	15.0
120.09359	3.4
135.04427	3.9
135.05537	1.2
135.06557	1.4
135.07021	1.2
135.08066	19.2
135.11702	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	135.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71611	0.5
53.00330	0.6
53.03949	0.9
55.05504	3.1
56.37102	0.6
57.07071	1.1
61.19553	0.8
64.43217	0.6
65.03914	0.8
65.44598	0.7
67.05500	3.8
67.45827	0.6
69.07058	1.4
71.02978	3.9
79.05502	15.4
80.03517	0.8
81.07063	1.5
82.53777	3.6
91.05488	14.3
93.07043	45.6
95.04961	2.8
105.07042	9.1
107.04961	1.6
107.08598	100.0
109.06514	3.5
115.05463	1.2
117.07000	4.5
119.05997	1.1
119.08586	16.6
120.09367	4.6
135.04436	1.5
135.08060	19.2
135.11693	90.3
137.09619	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	136.0618
Annotation	Adenine
Peak:m/z	Relative Intensity
54.85068	0.1
68.14440	0.1
78.81301	0.1
87.79019	0.1
88.61857	0.1
92.02480	0.2
94.04038	0.6
119.03550	2.2
124.16516	0.1
136.06189	100.0
137.04587	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	136.0618
Annotation	Adenine
Peak:m/z	Relative Intensity
54.25835	0.1
56.05027	0.2
57.05378	0.3
67.02995	0.2
68.52472	0.1
72.04511	0.8
73.04216	0.2
73.04848	1.4
81.60020	0.2
91.05470	1.3
94.04056	0.6
94.49945	0.2
119.03541	1.5
119.04865	0.3
136.02153	1.0
136.06189	100.0
136.65947	0.2
137.04575	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	136.0619
Annotation	Adenine
Peak:m/z	Relative Intensity
50.52309	0.1
52.64928	0.1
54.52386	0.1
85.49823	0.1
91.05457	0.6
92.02516	0.2
92.90726	0.1
94.04058	0.3
108.04488	0.1
119.03559	2.0
119.04917	0.2
127.24311	0.2
136.02182	3.5
136.06190	100.0
137.04568	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	136.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.6
58.02961	4.2
60.83096	0.3
64.46078	0.2
65.03950	0.3
67.05497	0.6
70.99867	0.2
77.03924	0.5
79.05506	0.6
80.05030	0.6
81.03399	0.4
89.45910	0.3
90.60696	0.3
91.05485	11.3
93.05789	1.0
93.07047	6.8
94.06551	0.3
95.04971	4.3
98.61211	0.3
105.04527	1.5
108.03757	0.3
108.04431	0.7
108.05246	0.4
108.08116	3.9
108.08934	1.7
109.06519	0.3
112.57234	0.3
118.06553	2.7
119.03539	1.6
119.04926	1.5
119.07322	7.2
126.05515	3.5
136.02171	43.6
136.06192	100.0
136.07574	74.4
136.12070	0.4
137.04620	1.2
141.39122	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	136.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44587	0.1
65.03943	0.8
90.82795	0.1
91.05482	100.0
94.04044	0.2
94.06609	0.1
108.08112	0.2
118.06520	0.2
119.03559	0.3
119.04941	0.8
136.02171	6.3
136.06190	35.4
136.07544	3.1
136.11215	15.0
137.04585	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	137.0597
Annotation	2-(4-Hydroxyphenyl)ethanol
Peak:m/z	Relative Intensity
56.42559	0.3
60.56189	0.4
66.04710	0.5
79.05498	1.9
84.12859	0.4
91.05504	0.8
94.04184	6.0
95.08633	0.6
96.05631	0.5
118.24090	0.5
122.03646	19.3
137.05980	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15615	0.2
53.66565	0.2
55.05515	0.3
67.05512	6.4
69.03426	0.3
69.07082	0.3
70.36428	0.3
77.03947	0.2
77.72867	0.2
79.05479	1.5
81.07059	4.7
91.05482	2.9
93.07055	0.9
94.04163	1.8
95.04949	0.5
95.08607	4.4
107.04957	2.6
107.08603	0.3
109.06515	1.4
109.10158	16.1
109.10911	0.5
109.12669	0.2
119.04961	0.4
119.08578	7.6
121.06509	2.4
122.03649	5.5
122.07285	26.2
134.57278	0.3
135.08025	0.6
137.02467	1.3
137.05975	34.4
137.09619	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80771	0.3
58.92985	0.3
61.42488	0.3
65.03934	0.3
67.05512	5.3
79.05487	1.3
81.07053	3.3
85.48273	0.3
86.39073	0.3
91.05486	2.8
91.89214	0.3
93.07034	0.6
94.04189	3.8
95.04990	1.1
95.08617	3.9
107.04947	2.6
107.08606	0.6
109.06466	1.2
109.10159	16.6
119.08580	7.4
121.06485	2.0
122.03649	13.1
122.04293	0.3
122.07289	25.6
135.07979	1.1
137.02498	0.7
137.04881	0.8
137.05977	67.5
137.09619	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	0.1
55.01883	0.3
55.05530	0.4
57.07092	0.3
60.15326	0.1
65.03954	0.3
66.04739	0.3
67.05508	6.9
68.50940	0.1
69.03439	0.3
69.07071	0.4
77.03935	0.2
79.05495	1.4
81.03430	0.1
81.07057	5.3
83.04965	0.1
91.05477	2.9
93.07045	1.2
94.04180	2.1
94.07831	0.1
95.04973	1.1
95.08603	5.9
103.05503	0.1
105.04493	0.3
105.07006	0.1
106.78715	0.1
107.04958	2.5
107.05670	0.1
107.08566	0.5
109.06514	1.3
109.10153	19.1
117.07023	0.4
119.04976	0.2
119.08573	6.7
121.06493	2.5
122.03647	7.3
122.07278	27.1
128.62915	0.1
135.04361	0.1
135.08058	1.4
137.02531	1.5
137.05972	37.3
137.09608	100.0
139.07452	0.2
147.09196	0.1
149.07050	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	137.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69445	0.3
57.84759	0.2
60.24506	0.3
65.03965	0.4
67.05509	5.9
79.05483	0.8
81.07074	3.4
84.72099	0.3
91.05468	2.0
92.20966	0.5
93.07072	1.2
94.04188	1.9
95.04949	0.6
95.08619	4.1
99.61708	0.3
107.04961	1.8
109.06535	0.6
109.10159	16.2
117.06994	0.4
119.08572	6.3
121.06496	2.1
122.03645	6.5
122.07287	26.2
132.21196	0.3
135.08051	1.2
137.02495	0.6
137.05974	37.0
137.09621	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.5
55.05524	2.2
57.07084	10.7
57.88150	0.3
62.91269	0.4
67.05511	11.4
69.07076	5.3
71.08633	0.6
72.97734	0.4
73.42732	0.3
79.05492	6.3
81.07060	100.0
91.05486	1.8
93.07029	2.9
94.04178	2.1
95.04963	0.7
95.08605	76.8
107.08624	0.4
109.06509	1.4
109.10159	8.2
119.08592	0.8
122.03664	4.9
122.07269	0.4
137.02440	1.7
137.04871	0.5
137.05951	27.6
137.09625	8.6
137.13258	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	138.055
Annotation	Trigonelline
Peak:m/z	Relative Intensity
65.03946	0.2
78.64746	0.1
92.05013	1.1
94.06035	0.2
94.06580	4.1
96.04464	0.2
110.06042	2.9
138.05511	100.0
151.78999	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	139.0754
Annotation	(2E,4E,6E)-7-Hydroxy-4-methylhepta-2,4,6-trienal
Peak:m/z	Relative Intensity
53.03959	2.1
55.01884	8.1
55.05523	46.4
55.93505	0.2
56.96576	60.5
57.03449	1.9
60.10892	0.2
64.81961	0.2
65.03954	1.1
67.05511	14.0
68.05023	1.3
69.03442	1.0
69.07075	8.5
70.07405	0.6
71.04999	0.3
74.97596	0.4
77.03939	0.3
79.05499	7.7
81.07053	3.0
81.93947	0.3
83.04975	2.3
83.08627	72.0
91.05485	12.2
91.06062	0.3
92.05845	0.3
93.07045	44.0
94.07362	0.4
95.04974	10.3
95.08578	3.0
96.07593	0.3
96.08134	4.7
97.02898	0.3
97.06538	13.4
97.99179	2.8
103.05476	4.5
105.04519	2.0
109.06522	0.4
111.04453	4.4
111.08084	99.1
116.00201	1.2
121.02859	9.2
121.03976	1.8
121.06506	22.8
121.10172	0.3
122.06049	0.4
139.04065	4.3
139.05988	7.7
139.07545	100.0
139.11145	1.6
146.42282	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	139.0754
Annotation	(2E,4E,6E)-7-Hydroxy-4-methylhepta-2,4,6-trienal
Peak:m/z	Relative Intensity
52.13724	0.3
53.03961	0.9
55.01883	5.1
55.05524	24.7
56.35371	0.3
56.96576	100.0
57.03454	1.6
58.97010	0.4
60.23480	0.3
65.03923	0.5
67.05516	8.9
68.05847	0.4
69.03444	1.6
69.07075	5.1
71.77627	0.4
74.97618	0.4
79.05505	5.3
81.07069	2.3
83.04993	3.1
83.08627	36.6
83.41388	0.4
83.71647	0.4
87.11254	0.3
91.05483	9.1
93.07047	29.1
95.04965	7.1
95.08616	1.7
97.06540	7.0
97.99189	5.6
103.05473	6.4
105.04545	0.6
111.04475	4.4
111.08083	54.5
112.61358	0.5
116.00233	1.8
121.06509	46.6
121.10099	1.6
121.10920	0.4
122.07139	0.5
139.04106	2.7
139.05951	8.2
139.07549	53.3
139.08559	2.6
139.09599	1.2
139.11143	3.9
139.51250	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	140.0019
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	15.5
57.93573	3.6
95.69476	0.9
98.97585	100.0
116.97324	13.8
116.98615	62.1
134.99663	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	140.0107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97322	0.1
56.40064	0.1
56.96569	0.5
61.78531	0.1
62.13766	0.1
80.97428	0.1
92.21007	0.1
98.98472	100.0
116.97141	0.1
116.98619	0.3
116.99478	1.8
117.00221	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	140.0107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97322	0.1
56.40064	0.1
56.96569	0.5
61.78531	0.1
62.13766	0.1
80.97428	0.1
92.21007	0.1
98.98472	100.0
116.97141	0.1
116.98619	0.3
116.99478	1.8
117.00221	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	140.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30577	0.2
51.11536	0.2
53.03956	0.4
53.35068	0.3
54.03482	0.2
56.05028	0.4
56.96568	3.6
57.93572	0.7
58.06595	0.3
58.96717	0.2
67.02988	0.5
68.05035	1.2
70.02941	0.5
70.06570	1.2
80.05016	3.2
81.03401	1.3
85.07664	1.9
94.04053	30.2
94.06567	2.2
95.06075	1.6
96.05621	0.6
97.06416	1.1
98.06064	0.7
98.07214	0.4
98.97586	17.4
98.98430	1.1
106.27097	0.3
112.03958	0.3
112.05090	7.3
112.07594	1.0
112.08736	8.5
116.97267	4.7
116.98611	11.3
122.06142	1.0
122.07143	12.8
122.08033	0.5
122.56258	0.3
123.05542	4.5
123.07937	0.4
125.05841	0.4
134.99649	5.0
138.05446	0.5
140.03432	4.9
140.04553	15.3
140.08188	100.0
140.12590	0.9
156.07698	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	141.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
53.44849	0.7
54.35513	0.7
55.05519	10.8
56.96581	1.4
57.03446	100.0
57.07085	31.1
57.94369	1.0
58.94141	0.7
58.96175	1.6
59.05008	34.8
60.93286	1.1
62.60635	0.8
65.97450	0.9
67.05505	10.0
69.06754	0.8
69.07076	9.8
71.04997	29.8
71.08596	1.4
73.37119	1.0
79.05520	2.0
81.03428	7.2
81.07066	57.9
82.01454	10.9
83.08624	20.0
83.50082	0.9
85.06535	9.5
85.07684	1.7
95.04951	4.4
95.08604	13.3
96.08125	1.1
97.06520	7.7
97.10182	1.1
99.04465	1.0
99.08066	1.3
100.02485	63.4
100.04775	1.1
100.11263	1.4
109.02887	1.9
112.08746	2.2
113.06004	1.2
115.05477	4.1
116.98631	1.3
118.03523	27.9
123.11707	71.0
137.53528	1.0
141.05455	5.4
141.07004	25.3
141.09222	2.3
141.10246	8.1
141.11385	6.7
141.12749	31.3
141.13803	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	142.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07098	1.4
82.01445	2.5
83.01506	9.7
100.02476	8.3
101.00874	31.3
101.02544	19.5
119.01916	100.0
119.02786	3.7
119.03647	9.1
122.00793	1.8
124.02456	8.3
137.02934	27.5
142.03499	50.8
153.36571	1.7
160.04568	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	142.0499
Annotation	Gentianaine
Peak:m/z	Relative Intensity
54.03483	11.9
55.01883	3.0
55.05531	0.2
55.83736	0.1
55.84129	0.1
56.05034	0.3
58.06609	0.2
59.93116	0.2
60.04535	0.7
64.93244	0.1
69.07065	1.1
70.06586	0.3
71.08639	0.8
72.04519	1.9
72.08151	1.0
79.05495	0.7
81.07064	0.7
82.02948	100.0
83.01527	1.1
83.03715	0.9
83.08592	0.2
85.22910	0.2
85.49581	0.2
86.06071	10.6
87.04475	2.2
96.04494	0.3
96.08132	2.6
97.06544	1.0
98.06057	1.8
98.06744	0.3
100.02502	1.0
100.03981	9.3
100.07597	0.2
100.11243	0.7
101.00888	2.7
101.02549	4.3
110.02412	2.9
114.05531	49.8
114.09155	1.4
118.03537	0.4
118.96773	1.1
119.01921	14.1
119.03671	1.9
124.02444	0.8
124.03986	0.2
124.07574	2.4
125.06012	1.9
128.03441	4.2
137.02966	4.3
142.03505	7.7
142.04993	20.3
142.08647	5.3
142.09773	0.3
142.12277	4.5
142.15901	3.2
143.07028	0.8
160.04553	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	142.1227
Annotation	Pelletierine
Peak:m/z	Relative Intensity
53.03962	0.5
55.01885	5.6
55.05523	48.3
56.38463	0.3
57.03449	0.4
57.07085	16.2
57.26775	0.3
58.06605	2.4
59.05018	0.4
62.10739	0.4
67.05514	3.2
69.03435	9.0
69.07074	5.4
70.06599	0.8
72.04523	3.9
72.08142	0.4
79.05501	3.9
81.07074	5.8
83.04993	2.9
83.08627	87.0
84.08138	2.2
86.06070	18.8
97.10174	100.0
100.07626	10.2
100.11262	16.9
101.02578	0.7
107.08602	11.5
115.32515	0.4
119.01899	0.9
124.11235	2.8
125.09636	60.6
137.66177	0.4
142.07381	0.7
142.12282	82.2
142.15916	3.7
143.10681	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	143.1065
Annotation	Cycloheptanecarboxylic acid
Peak:m/z	Relative Intensity
55.05518	10.0
56.57231	0.9
57.07080	10.8
59.05005	1.3
59.11771	0.9
60.10204	0.9
62.04625	0.8
67.05507	7.9
69.03433	5.3
69.07059	1.2
70.01326	1.0
71.04994	100.0
73.06563	12.0
79.01855	6.4
79.05521	4.3
80.44099	1.1
81.07059	2.3
83.04966	7.8
83.08627	10.8
85.06543	48.2
88.02373	6.4
91.05490	1.1
97.10166	17.7
102.59516	1.1
107.08598	43.2
114.83881	1.0
125.09623	31.8
143.10678	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	143.1067
Annotation	2-n-Propyl-3-pentenoic acid
Peak:m/z	Relative Intensity
55.05522	11.0
56.96579	4.8
57.07084	10.3
59.00989	0.5
59.04998	1.6
61.29343	0.6
67.05512	6.3
67.51060	3.0
69.03448	6.2
69.07075	1.1
70.01324	1.6
71.04997	100.0
73.06557	12.6
76.51590	0.8
79.01859	28.4
79.05489	2.9
79.52031	0.7
81.07067	4.5
82.47338	0.6
83.04985	8.7
83.08627	11.4
85.06549	53.3
88.02377	35.7
90.52679	2.4
91.05472	1.0
92.20993	0.9
97.02909	6.1
97.10176	16.0
99.53153	1.3
102.05480	0.9
104.80745	0.6
107.08599	40.0
125.09636	31.6
143.08557	0.9
143.10680	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	143.118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03691	0.2
53.20548	0.2
55.01888	1.1
55.05525	0.4
56.96565	0.3
60.95853	1.0
69.03440	1.0
69.07078	2.8
72.08154	0.5
75.05603	2.7
79.01852	1.8
81.04545	1.4
81.07058	0.2
83.04998	0.3
84.01205	1.3
86.09710	100.0
87.09234	0.2
88.02364	1.7
95.06058	0.7
97.00807	0.2
97.02888	1.7
97.06540	0.9
97.07632	0.3
102.00957	0.2
102.02237	5.4
115.03898	0.2
119.01930	1.5
120.01894	2.7
120.03270	2.1
125.02348	4.2
125.06158	0.2
125.07105	1.7
129.02901	0.2
137.02936	0.2
138.03059	1.0
142.96666	0.3
143.03403	13.4
143.08124	1.9
143.11710	2.2
143.12752	0.4
143.16205	0.9
161.04688	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	144.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32366	0.2
53.78477	0.2
53.86373	0.2
56.05045	2.7
57.07070	0.3
58.99594	0.5
59.05009	2.5
67.05511	1.2
69.03446	0.3
74.00671	0.2
76.02217	0.4
78.99770	0.4
84.04509	100.0
84.08145	9.5
84.08933	0.3
88.03986	1.0
95.01317	2.1
95.04969	0.3
97.00807	1.0
98.00629	3.6
98.06077	0.4
99.04462	0.6
100.02219	0.5
101.60519	0.2
102.05553	1.8
102.96857	0.3
103.05457	2.1
112.03966	2.8
116.01710	0.5
116.07088	4.6
117.07008	0.2
119.45255	0.3
121.00797	4.8
121.01636	0.3
124.61610	0.3
127.03896	0.3
129.07018	0.3
139.01823	6.8
144.01175	1.8
144.02231	0.4
144.04526	1.2
144.06577	22.6
144.08078	4.4
144.09135	0.5
144.10233	0.4
144.13852	0.5
144.17493	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	144.0656
Annotation	2-Hydroxymethylclavam
Peak:m/z	Relative Intensity
55.01862	0.7
56.05043	3.0
56.51722	0.6
57.03436	1.4
58.06602	0.8
60.14971	0.5
66.10686	0.6
68.05027	6.6
69.41068	0.6
70.06593	3.2
72.04510	10.2
74.02448	3.9
74.06082	47.8
84.04502	3.2
84.08173	1.0
85.02917	3.0
97.02899	1.0
98.06055	100.0
98.09711	0.9
102.02256	0.8
102.05534	7.0
103.00629	5.1
111.96902	0.7
112.05080	11.8
112.52527	0.7
116.07085	1.0
116.07496	0.7
116.08226	8.5
121.00835	1.2
121.01656	17.8
121.02435	1.1
126.05600	1.9
126.09116	0.6
127.05031	0.6
139.01807	0.8
139.02708	4.5
144.03215	6.5
144.06575	89.7
144.07672	10.5
144.10240	4.6
150.87682	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.3
56.05030	0.7
57.06821	0.5
57.07084	10.7
59.05010	0.4
60.04239	0.5
60.04532	9.9
62.18975	0.2
65.03937	0.4
67.05510	16.4
69.07075	3.0
70.06588	0.3
71.04979	1.2
74.06065	0.4
78.99758	0.4
83.14294	0.2
84.04495	1.5
84.08147	100.0
85.02921	0.4
85.06551	3.2
88.03996	6.9
88.11246	0.4
91.33701	0.3
95.04967	24.4
97.00830	0.7
98.06052	2.7
99.08101	4.9
101.09660	1.8
102.05564	1.2
102.09180	0.4
103.05471	2.4
112.07619	3.7
116.10730	1.5
121.00774	4.4
126.02635	0.3
126.05534	0.3
127.07555	15.4
129.07004	0.4
130.08650	5.1
130.82452	0.3
139.01823	5.1
144.04637	0.4
144.06592	3.0
144.08102	4.2
144.10187	7.8
144.13889	1.1
144.17485	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	144.102
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21220	0.1
53.89375	0.1
55.05527	0.3
55.80050	0.1
56.05040	0.7
57.07087	7.9
60.04534	3.0
65.03931	0.2
67.05511	5.0
69.07057	0.7
70.02953	0.2
70.07395	0.2
71.05016	0.3
74.00528	0.2
74.06078	0.3
74.24931	0.2
75.88417	0.2
82.06596	0.2
84.04517	0.3
84.08150	100.0
85.06535	0.4
88.03996	20.0
88.22703	0.2
92.21067	0.3
93.53999	0.2
95.04966	5.1
97.00797	0.3
98.06007	0.3
99.08087	1.2
102.05548	56.8
102.09156	0.4
103.05468	1.6
112.07582	0.8
112.84386	0.2
121.00789	1.8
127.07564	3.0
130.08633	1.5
139.01820	2.2
144.05640	0.3
144.06577	0.7
144.08138	2.2
144.10202	15.5
144.13812	0.3
151.42712	0.2
162.13522	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	144.102
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21220	0.1
53.89375	0.1
55.05527	0.3
55.80050	0.1
56.05040	0.7
57.07087	7.9
60.04534	3.0
65.03931	0.2
67.05511	5.0
69.07057	0.7
70.02953	0.2
70.07395	0.2
71.05016	0.3
74.00528	0.2
74.06078	0.3
74.24931	0.2
75.88417	0.2
82.06596	0.2
84.04517	0.3
84.08150	100.0
85.06535	0.4
88.03996	20.0
88.22703	0.2
92.21067	0.3
93.53999	0.2
95.04966	5.1
97.00797	0.3
98.06007	0.3
99.08087	1.2
102.05548	56.8
102.09156	0.4
103.05468	1.6
112.07582	0.8
112.84386	0.2
121.00789	1.8
127.07564	3.0
130.08633	1.5
139.01820	2.2
144.05640	0.3
144.06577	0.7
144.08138	2.2
144.10202	15.5
144.13812	0.3
151.42712	0.2
162.13522	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	144.1383
Annotation	Pseudoconhydrine
Peak:m/z	Relative Intensity
55.05517	0.6
57.03448	0.6
57.07080	14.5
67.05498	0.7
69.03428	0.6
69.07069	0.7
71.04993	3.3
71.08633	0.5
72.04517	0.6
72.05334	0.5
74.06081	12.1
81.07024	0.5
83.08629	0.6
86.06885	0.5
88.07633	32.9
97.00787	0.5
97.02931	0.5
97.06570	0.5
97.10163	0.6
98.06068	3.3
98.81979	0.4
99.04447	0.5
100.07603	0.8
102.09187	12.1
103.05462	0.8
108.08902	0.6
109.02876	0.5
111.09887	0.4
116.10748	0.5
121.00800	2.0
126.05482	0.4
136.87625	0.4
139.01802	4.1
144.06602	6.3
144.13838	100.0
149.59734	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	145.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	9.3
55.01884	2.4
57.03452	3.0
58.47319	1.4
61.02937	3.4
69.03435	16.7
71.05007	12.5
81.03428	28.9
83.01333	3.1
85.02432	3.0
85.02910	48.2
97.02906	20.4
99.04460	100.0
103.03938	20.3
109.02878	12.4
119.89862	1.5
121.96625	6.3
127.03928	46.0
145.04973	2.8
145.10133	21.9
163.72481	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	145.0608
Annotation	N-Nitrosoproline
Peak:m/z	Relative Intensity
53.03959	1.8
55.01880	3.6
55.94231	0.3
56.05043	4.7
57.03444	5.6
58.06600	0.4
60.04527	0.3
61.02939	2.5
61.04039	0.3
69.03432	15.0
71.01373	0.3
71.04989	3.4
71.06945	0.3
71.94102	0.3
72.08162	0.3
73.02935	0.7
74.02443	10.1
74.02822	0.5
74.06085	3.3
75.06405	2.5
81.03427	4.1
83.01338	0.5
84.04512	0.5
84.08096	0.3
85.02905	33.5
86.06054	2.3
87.04474	3.2
97.02900	10.5
98.06068	1.2
99.04465	11.7
99.05578	100.0
100.07594	0.3
101.02437	0.3
102.05548	0.6
104.07083	1.6
109.02888	1.7
112.96696	0.6
113.05420	1.5
117.02971	0.6
117.08562	0.5
119.01926	0.3
120.01981	0.4
121.01655	2.3
121.61486	0.4
127.03914	5.4
128.07019	0.3
144.61714	0.5
145.03621	1.4
145.05121	2.8
145.06055	63.0
145.11896	0.7
145.13306	0.4
149.03172	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	145.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14103	0.2
62.37337	0.2
62.85585	0.2
62.92990	1.1
65.97805	0.2
67.05526	0.4
80.54803	0.2
81.01498	0.5
90.02020	0.3
91.05487	2.1
103.95582	0.3
105.07032	9.7
110.90054	0.2
115.05453	0.4
117.07016	7.3
121.96650	5.6
123.96871	0.2
128.06213	0.5
129.07005	0.5
130.07794	8.9
143.08549	2.5
145.10129	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
55.69827	0.3
57.03431	0.6
62.92997	5.0
67.06768	0.4
69.03410	0.5
69.67074	0.3
71.05003	2.0
77.77721	0.4
81.01501	3.9
81.03430	0.5
81.07361	0.4
85.02896	0.8
90.02014	6.4
91.05482	2.5
99.04454	6.5
101.52827	0.4
105.07035	8.4
105.87856	0.4
109.00491	0.5
115.05428	0.6
117.07029	8.6
121.96642	20.6
127.03926	2.1
129.06938	0.5
130.07799	8.7
140.75247	0.4
143.08571	2.7
145.05016	0.7
145.10127	100.0
154.04640	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	145.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.4
53.68802	0.3
55.01879	0.5
59.74780	0.3
60.95853	1.4
61.02922	0.4
62.43359	0.3
62.92998	8.2
63.67195	0.3
67.05504	0.7
69.03423	2.9
71.04979	1.9
74.71558	0.3
78.51233	0.4
81.01495	4.8
81.03410	2.2
85.02905	6.0
86.61333	0.3
90.02022	5.8
91.05486	4.0
92.52283	0.4
97.02891	2.2
99.04462	8.7
103.03935	1.6
103.05482	0.4
103.95589	0.8
105.07038	10.3
109.02868	1.5
115.05463	0.9
117.07016	11.1
121.96639	30.0
122.02064	0.4
127.03918	2.9
129.06992	1.7
130.07794	9.2
135.78044	0.3
143.08554	3.2
144.98198	0.7
145.06479	3.9
145.10127	100.0
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	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
52.90943	0.4
59.38519	0.4
91.05490	5.1
117.05733	1.0
118.06544	100.0
121.43655	0.5
131.51022	0.5
146.06012	33.7
161.64699	0.4
163.93980	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	146.1176
Annotation	4-Trimethylammoniobutanoate
Peak:m/z	Relative Intensity
55.05515	0.4
61.01120	0.2
69.07066	0.3
72.08162	1.0
73.28070	0.1
81.03404	0.1
82.06580	0.2
82.25639	0.1
84.93933	0.1
86.06090	0.2
86.09711	100.0
98.06071	0.2
101.04240	0.2
110.05997	0.1
111.04483	0.1
112.11197	0.1
118.06552	1.8
121.96663	0.1
128.07100	0.2
140.16475	0.1
146.06000	1.9
146.08112	1.5
146.11757	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	146.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02862	0.1
53.03946	0.2
54.03481	1.0
54.19103	0.1
55.05521	16.1
56.05048	0.9
57.03451	0.7
57.07084	0.7
58.06616	0.4
61.01156	0.2
63.95771	0.2
65.00653	0.2
67.05501	0.3
68.05039	0.2
69.07068	0.6
71.04983	0.4
71.26511	0.2
72.04519	0.9
72.08159	3.6
74.06090	0.3
80.05029	0.3
81.03436	1.0
82.06593	1.8
83.04983	1.5
83.08624	45.3
84.04527	0.8
84.08143	1.1
85.02908	0.3
86.06073	1.9
87.02764	0.2
87.04454	0.3
98.06052	0.4
100.03944	0.2
100.04788	0.4
100.07620	1.0
100.11258	100.0
102.05550	0.3
104.07108	0.3
110.06043	1.0
111.04434	0.9
112.11228	0.8
114.05525	1.3
114.06648	0.2
114.09142	0.2
118.06540	1.3
119.44810	0.1
128.07097	2.2
129.05501	0.3
129.13878	0.4
146.06087	3.0
146.07201	0.4
146.08127	5.3
146.09227	0.5
146.11739	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	147.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	0.5
63.15756	0.3
63.61309	0.4
64.92815	1.0
65.03945	1.9
79.05521	0.4
84.04527	0.5
84.59467	0.4
91.05483	35.9
92.21321	1.0
105.07047	8.9
119.04944	100.0
119.08582	11.9
123.96465	4.4
147.04413	84.3
147.08060	6.4
147.11699	20.7
153.18674	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	147.0441
Annotation	Coumarin
Peak:m/z	Relative Intensity
55.05553	0.3
58.03830	0.2
65.03947	2.3
69.07082	0.4
83.08643	0.3
91.05483	36.8
96.96329	0.2
99.97412	0.3
103.37293	0.2
111.05763	0.3
119.04943	100.0
129.08405	0.3
147.04411	85.7
159.67595	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	147.0441
Annotation	Coumarin
Peak:m/z	Relative Intensity
51.39923	0.2
65.03943	2.0
84.04508	1.0
84.08149	1.5
91.05486	36.5
96.88211	0.2
101.01720	1.1
102.05531	0.3
105.07019	0.3
119.04945	100.0
123.96408	0.4
130.05000	1.3
130.08641	0.3
147.04414	77.1
147.11673	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	147.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	0.5
55.05520	15.3
56.96577	0.3
57.07075	1.0
59.05010	3.5
64.92811	0.3
65.03938	0.3
65.99492	0.2
67.05504	0.9
69.03429	1.3
69.07072	88.4
69.67018	0.2
74.80950	0.2
78.43114	0.2
79.05521	0.2
79.88900	0.2
81.45436	0.2
83.08604	1.1
84.04508	0.5
84.08134	0.5
85.10225	0.2
85.39794	0.2
87.04471	100.0
87.10010	0.2
90.97467	0.2
91.05482	12.1
101.01729	0.5
105.05518	6.7
105.07037	8.4
107.08607	0.5
111.11729	3.2
115.02277	0.4
119.04939	27.3
119.08582	11.9
119.09429	0.4
123.96460	1.3
124.02837	0.9
129.12744	1.6
145.10118	0.4
147.04417	21.8
147.06183	2.7
147.08066	2.8
147.11688	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	147.138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00315	0.7
53.03962	0.3
53.56907	0.1
55.05523	16.0
57.07078	1.0
57.98376	0.1
59.05009	3.6
64.92860	0.2
65.03951	0.3
67.05509	1.3
69.07075	100.0
71.08631	0.1
73.06557	0.7
73.49483	0.1
76.66572	0.1
79.05499	0.2
81.07084	0.1
83.08636	1.0
84.04513	0.6
84.08155	0.6
87.04478	2.1
87.08115	0.2
91.05484	8.1
93.07050	0.1
100.99749	0.1
101.01738	0.8
101.38178	0.1
105.07037	5.1
107.08617	0.3
111.11716	3.5
117.07040	0.3
119.04942	14.4
119.08578	9.3
123.96501	1.0
126.18916	0.1
129.07033	0.3
129.12778	2.0
130.05006	0.6
130.08673	0.2
131.08609	0.2
132.09312	0.2
135.66237	0.2
139.81940	0.1
145.10129	0.8
147.04416	13.0
147.08052	2.7
147.11690	14.4
151.17766	0.1
157.15451	0.1
165.90213	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	149.0233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13132	0.4
54.32258	0.4
56.05029	0.5
57.23648	0.4
65.02373	0.5
65.03944	5.2
67.02994	18.3
67.05500	0.6
69.07070	0.8
69.79274	0.4
79.05474	0.9
79.34344	0.4
81.04546	2.7
81.07064	2.8
91.05452	0.4
92.20875	0.5
93.03400	3.2
93.07038	5.4
95.06105	0.7
105.07064	0.6
106.04042	2.1
107.06074	2.9
107.08600	4.5
108.04488	0.8
108.05630	8.1
108.06908	3.7
108.08108	3.3
109.06419	0.9
109.07648	0.7
111.04415	1.0
117.02551	0.5
121.02863	23.6
121.03977	5.0
121.10143	3.0
122.07153	15.0
140.08191	3.7
148.48026	0.5
149.02342	100.0
149.07138	2.2
149.08226	33.1
149.09502	5.9
149.13261	7.1
150.06621	0.6
160.78671	0.5
167.03329	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	149.0233
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17577	0.3
65.03949	5.1
67.02998	12.9
74.00352	0.3
79.05488	0.6
79.63110	0.3
81.04561	0.5
81.07074	1.2
90.69112	0.3
93.03407	3.0
93.07043	2.0
95.06091	0.5
95.08578	0.4
99.36677	0.4
106.04054	0.8
107.06081	0.7
107.08572	2.6
108.05606	3.3
108.06886	2.8
108.08087	0.8
111.04433	1.5
121.02863	23.5
121.03969	4.0
121.10133	1.9
122.07158	6.0
132.05547	0.4
138.94159	0.4
140.08224	1.8
149.02345	100.0
149.08223	13.3
149.09517	4.4
149.13266	4.2
152.53958	0.4
162.35883	0.3
167.03523	0.4
167.53941	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	149.0233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84551	0.2
55.60419	0.2
65.03939	5.6
67.05487	0.2
69.07057	0.4
79.05450	0.3
80.02614	0.3
81.07047	0.5
87.59416	0.2
89.03923	0.3
90.41003	0.2
91.05486	0.3
92.21079	0.4
93.03413	2.9
93.07038	1.5
96.79865	0.3
98.71636	0.3
107.08595	1.9
111.04436	2.3
117.03362	0.4
117.94424	0.2
119.90681	0.3
121.02862	23.0
121.03944	3.1
121.09315	0.3
121.10122	0.5
132.56071	0.3
149.02336	100.0
149.05820	2.4
149.09573	1.1
149.13239	2.8
167.03313	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	149.0234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95380	0.1
51.86982	0.1
52.42822	0.1
55.40855	0.1
62.06019	0.1
65.03951	4.7
67.45017	0.2
69.07052	0.3
79.05490	0.6
81.07049	1.0
87.26056	0.1
89.03902	0.6
91.05475	0.6
93.03413	2.7
93.07053	2.6
100.90512	0.1
105.06984	0.2
106.04172	0.3
107.08582	2.0
108.08113	0.2
110.93679	0.2
111.04449	2.2
117.03388	0.3
121.02861	24.0
121.03960	3.9
121.06511	0.3
121.10155	1.1
131.04875	0.2
131.08568	0.3
140.88960	0.2
142.20280	0.1
142.83055	0.2
149.02342	100.0
149.05890	2.2
149.09587	2.0
149.13249	3.3
166.63461	0.2
167.03416	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	149.0233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63260	0.2
51.86198	0.2
55.01876	0.3
55.05521	0.3
60.09299	0.2
65.03944	5.9
67.05508	1.7
69.07050	0.6
79.05505	2.0
80.05876	0.2
81.07065	3.4
89.03931	0.4
91.05479	0.3
93.03410	2.8
93.07045	6.6
95.08617	0.4
101.32484	0.2
107.04952	0.4
107.08598	6.0
108.10069	0.3
111.04431	2.3
112.20673	0.3
121.02861	21.2
121.03951	4.1
121.06561	0.3
121.10137	3.4
134.62354	0.3
147.90244	0.3
149.02342	100.0
149.05969	2.3
149.09616	3.8
149.12123	0.6
149.13255	10.6
158.06657	0.3
167.03395	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	149.0232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32114	0.4
52.21076	0.4
57.38048	0.4
58.54732	0.5
65.03948	4.8
67.02995	31.0
67.05493	0.4
68.14677	0.6
70.13013	0.4
74.48773	0.5
79.05473	1.7
81.04537	0.6
81.07049	3.8
93.03394	2.5
93.07046	7.4
95.08617	0.6
102.76805	0.5
107.06068	1.1
107.08601	6.3
108.05599	2.3
108.06886	5.1
111.04464	0.5
121.02868	22.9
121.03971	3.2
121.10123	3.0
122.07157	6.7
140.08160	0.7
149.02341	100.0
149.07100	0.9
149.08214	11.4
149.09474	3.1
149.13255	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	149.0233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69176	0.4
55.05532	0.5
58.32787	0.4
65.03945	5.6
66.47559	0.5
67.05510	4.6
69.07063	3.7
79.05500	5.3
81.07063	12.7
83.08614	0.6
89.03928	4.3
91.05475	2.8
92.21059	0.5
93.03394	2.0
93.06480	0.8
93.07051	22.1
95.05003	0.7
95.08598	2.3
105.07055	0.9
106.04166	0.6
107.04961	0.7
107.08600	20.0
111.04466	1.7
117.03401	4.1
121.02864	22.3
121.03978	4.2
121.06512	0.9
121.10127	8.1
131.08521	0.7
134.03629	1.6
135.04471	0.8
149.02347	100.0
149.05968	16.1
149.09641	7.0
149.13261	39.3
157.86104	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	149.0597
Annotation	4-Hydroxycinnamyl aldehyde
Peak:m/z	Relative Intensity
50.55539	0.2
51.02385	0.3
53.03962	0.6
54.14669	0.2
65.03950	0.2
66.62256	0.2
72.22228	0.2
79.05502	48.3
81.03466	0.3
91.05489	2.8
93.07048	16.2
95.04967	3.1
103.05475	100.0
105.04510	1.2
105.07030	2.3
107.04961	55.0
121.02897	1.5
121.06506	10.7
131.04933	9.5
139.70937	0.3
149.02335	5.8
149.05977	8.5
149.07074	0.4
149.13261	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	149.0961
Annotation	4-Isopropylbenzaldehyde
Peak:m/z	Relative Intensity
54.10254	0.3
55.01867	0.4
55.05510	0.4
62.30241	0.3
69.03423	2.6
75.55052	0.4
78.39075	0.5
79.05506	3.6
87.01746	0.6
89.03896	0.6
91.05484	12.7
93.07041	11.4
95.04923	0.5
103.05463	1.0
105.07037	13.6
106.07813	0.9
107.04954	4.0
107.08590	3.1
109.06487	3.3
115.05441	1.9
116.06232	6.2
119.08563	1.8
121.06508	11.3
121.10144	29.3
123.08074	3.6
128.74573	0.6
129.06993	2.6
131.08571	17.6
133.06534	0.6
133.07623	2.2
134.07253	0.7
147.08060	2.3
149.02362	0.7
149.05957	2.0
149.09619	100.0
151.87035	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	149.0961
Annotation	4-Isopropylbenzaldehyde
Peak:m/z	Relative Intensity
54.10254	0.3
55.01867	0.4
55.05510	0.4
62.30241	0.3
69.03423	2.6
75.55052	0.4
78.39075	0.5
79.05506	3.6
87.01746	0.6
89.03896	0.6
91.05484	12.7
93.07041	11.4
95.04923	0.5
103.05463	1.0
105.07037	13.6
106.07813	0.9
107.04954	4.0
107.08590	3.1
109.06487	3.3
115.05441	1.9
116.06232	6.2
119.08563	1.8
121.06508	11.3
121.10144	29.3
123.08074	3.6
128.74573	0.6
129.06993	2.6
131.08571	17.6
133.06534	0.6
133.07623	2.2
134.07253	0.7
147.08060	2.3
149.02362	0.7
149.05957	2.0
149.09619	100.0
151.87035	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	149.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
55.05515	2.6
59.34182	0.3
65.03940	1.5
67.05508	25.6
69.07069	7.6
73.47086	0.4
79.05496	20.4
81.03413	1.3
81.07059	53.3
83.08618	3.1
91.05476	5.1
93.07042	46.5
95.04948	1.6
95.08592	6.2
105.04553	0.4
105.07037	3.1
107.04932	3.2
107.08591	43.2
108.04494	0.3
108.08102	0.4
111.49332	0.4
119.08587	0.6
121.02862	1.7
121.06462	0.8
121.09293	0.8
121.10136	18.5
125.75070	0.4
131.08583	3.5
131.62010	0.4
138.34442	0.4
147.11693	0.8
149.02335	8.4
149.05978	0.6
149.09622	21.5
149.13249	100.0
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	Ectocarpen
Peak:m/z	Relative Intensity
53.03950	0.7
55.05516	1.6
65.03947	0.7
67.05186	1.1
67.05513	23.8
69.07083	9.3
69.93700	0.8
79.05499	19.5
81.07066	47.1
83.08607	3.8
91.05483	3.9
93.07048	45.1
95.04939	1.1
95.08617	5.2
105.07035	3.2
107.04955	4.0
107.08598	46.7
110.58332	0.8
119.08514	0.8
121.02866	1.8
121.06455	1.1
121.10159	18.2
131.08533	1.3
149.02365	12.6
149.09634	18.5
149.13257	100.0
158.59891	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	149.1324
Annotation	Ectocarpen
Peak:m/z	Relative Intensity
53.03958	0.5
55.05516	2.9
67.05512	20.0
69.07069	8.5
71.47147	0.5
79.05505	17.1
80.02204	0.5
81.07063	45.2
83.08614	3.6
91.05487	2.5
93.07042	41.1
95.04961	0.9
95.08616	6.3
107.08600	41.2
109.06499	0.5
121.10158	14.4
147.11729	0.6
149.09619	3.9
149.13258	100.0
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	Ectocarpen
Peak:m/z	Relative Intensity
54.20757	0.5
55.01862	0.8
55.05512	2.7
55.88092	0.5
65.03944	2.7
67.05513	12.6
69.07071	10.7
79.05495	16.2
81.07063	36.6
83.03034	0.5
83.08612	3.0
84.98840	0.6
91.05486	6.6
93.03405	0.5
93.07045	64.0
95.04973	1.3
95.08619	5.0
103.05442	0.7
104.04318	0.8
105.07024	3.8
107.04954	4.1
107.08599	50.9
108.08121	1.4
109.06494	0.6
121.02864	7.4
121.06479	2.1
121.10140	31.0
121.11018	1.1
131.08577	3.2
149.02348	26.2
149.05986	5.8
149.07034	0.8
149.09631	20.3
149.13260	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01066	0.2
54.29882	0.2
55.05517	1.2
57.07088	2.3
65.03944	1.1
67.05509	0.4
69.07066	2.7
79.05490	3.7
81.07063	1.2
83.04578	0.3
83.08612	0.2
89.03911	0.3
89.12607	0.3
91.05474	5.6
91.06013	0.4
93.07047	10.6
95.04979	1.4
95.08611	0.5
103.05479	0.4
103.77930	0.3
105.07031	9.9
106.02399	0.3
107.08595	40.0
109.06521	1.2
117.03340	0.6
118.42213	0.3
119.06071	0.3
119.08578	3.9
120.09361	1.2
121.02881	0.6
121.10139	100.0
123.08096	3.1
131.08595	0.6
132.66930	0.3
133.07607	1.0
133.10138	1.6
134.10930	1.7
149.02327	3.1
149.05981	3.5
149.09628	6.0
149.13257	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	149.1324
Annotation	Ectocarpen
Peak:m/z	Relative Intensity
52.78917	0.6
55.05508	1.8
57.44451	0.7
63.54300	0.9
65.03954	1.5
67.05512	8.8
69.07076	9.4
79.05489	14.4
81.07062	33.6
83.08590	1.8
91.05490	4.3
93.07043	49.7
95.08604	5.9
105.07011	1.0
107.04910	1.1
107.08604	41.9
108.04482	1.0
121.02849	1.0
121.10132	22.0
125.39279	0.8
149.02373	5.9
149.09613	7.3
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	149.1324
Annotation	Ectocarpen
Peak:m/z	Relative Intensity
55.05510	2.9
57.16963	0.5
65.03938	0.8
66.47588	0.5
67.05507	18.6
69.07072	8.0
79.05073	0.9
79.05497	17.9
81.07056	46.2
83.08605	3.8
91.05473	4.8
93.07040	49.0
95.08586	6.2
105.04462	0.6
105.07048	2.8
107.04961	15.3
107.08594	43.2
108.08051	0.6
119.08559	0.7
120.05675	0.8
121.02866	3.3
121.03962	0.6
121.06483	0.7
121.10143	17.3
122.37811	0.7
131.08539	0.7
134.98085	0.6
147.11676	1.0
149.02332	9.4
149.06056	0.7
149.09613	22.0
149.13249	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0582
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13962	0.3
56.05045	97.6
56.48552	0.4
57.03441	1.8
61.01159	45.1
68.02666	0.5
69.03445	1.0
69.88087	0.4
70.06599	2.7
71.05024	0.7
72.04501	0.6
72.93802	2.4
73.02934	0.4
74.02448	6.5
74.06085	7.2
75.02716	0.6
78.52969	0.8
80.05025	0.7
81.03419	2.2
82.01424	0.6
84.04504	3.0
85.02900	4.8
85.53709	0.7
86.03665	0.5
86.06044	0.4
87.02706	11.6
87.04462	0.5
88.02664	0.8
88.07117	0.8
88.07638	14.2
90.52916	0.6
90.94831	0.9
93.53484	1.7
95.03445	0.8
97.04020	0.7
99.04427	0.5
99.53468	2.9
100.02486	3.1
100.05265	0.9
101.00913	0.5
102.05550	29.3
104.05337	100.0
105.00059	0.6
105.03764	1.1
106.06565	0.5
108.04489	0.8
109.02915	0.6
113.53182	2.6
113.96413	2.0
115.02403	0.5
118.03623	2.5
118.43790	0.4
119.01880	0.9
120.05576	0.8
120.53941	0.8
122.06003	0.7
122.07105	0.6
122.53719	1.5
129.54454	0.7
131.97447	1.8
132.10172	2.0
133.03192	66.5
141.02708	1.7
142.03508	1.1
145.03499	0.9
150.05702	9.9
150.06689	3.3
150.07729	31.7
150.09045	1.5
150.10278	0.9
150.11238	6.5
154.03450	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	150.0775
Annotation	3-Methyladenine
Peak:m/z	Relative Intensity
56.05042	1.8
57.04562	0.1
60.23907	0.1
61.01156	0.9
75.38818	0.1
87.02686	0.1
88.07627	0.2
94.04017	0.3
94.06544	0.3
99.05786	0.1
102.05537	0.5
104.05345	1.9
109.05132	0.7
119.03474	0.2
121.05102	0.1
122.05993	0.1
123.06686	0.3
133.03189	1.3
133.05112	1.3
135.05386	0.2
150.07748	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0775
Annotation	3-Methyladenine
Peak:m/z	Relative Intensity
56.04609	0.1
56.05044	3.0
57.03440	1.4
57.04575	0.2
60.02164	0.2
61.01156	1.8
61.02919	0.2
68.02647	0.2
69.03432	0.9
70.06586	0.4
71.04993	0.8
73.02930	0.4
74.06060	0.3
75.04470	0.3
76.00257	0.2
78.52950	0.2
79.02140	0.2
81.03429	1.7
82.01457	0.4
84.52975	0.2
85.02902	1.1
85.51927	0.2
86.03687	0.4
87.02687	0.2
87.53519	0.2
88.02692	0.9
88.07641	2.8
89.02551	0.2
90.52917	0.2
93.53481	2.8
94.02685	0.2
94.54260	0.8
95.53220	0.2
97.03221	0.3
99.04464	0.3
99.53465	1.7
100.02499	2.5
100.05186	0.2
101.00868	0.4
101.52037	0.2
101.53201	0.3
102.02421	0.7
102.05543	0.4
102.54003	0.2
104.05334	3.5
104.52666	0.3
108.04483	1.0
108.53962	0.3
109.02915	1.1
109.05130	0.8
110.53734	0.3
113.00881	0.2
113.53186	1.0
114.04018	0.3
115.02412	0.3
118.01173	0.4
118.03547	1.5
119.01872	1.0
119.02660	0.2
119.03639	0.3
120.53990	0.9
122.00755	0.2
122.06023	0.2
122.53701	0.9
124.02481	0.2
125.64408	0.2
129.54497	0.7
131.01917	1.0
132.10179	0.3
133.03200	1.7
133.05087	1.5
141.02678	1.4
142.03494	1.0
143.01952	0.3
145.03452	0.8
150.05569	3.2
150.07755	100.0
154.03474	0.7
156.05106	0.2
157.03439	0.3
161.02975	0.3
162.22743	0.2
168.05067	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	151.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91844	0.2
53.03939	0.3
55.05517	0.8
57.07075	0.7
64.21324	0.3
67.05508	4.3
69.03418	0.7
69.07072	0.7
70.80621	0.3
71.04968	0.3
71.08630	0.3
71.74210	0.3
78.91747	0.4
79.05493	2.3
81.03414	0.3
81.07063	9.8
83.04972	0.3
87.00472	4.1
89.06058	0.4
91.05464	3.0
93.07042	3.8
93.10201	0.3
95.04964	3.2
95.08611	9.0
95.29192	0.3
96.00997	0.6
97.06515	0.4
98.51234	2.0
105.07040	6.6
107.08602	5.7
109.06515	8.5
109.10157	9.8
113.96341	0.5
119.04878	0.4
121.06459	0.3
121.10130	1.5
123.08066	3.8
123.11726	4.0
131.97398	0.6
133.06508	0.6
133.10126	4.4
136.08876	0.4
151.03931	2.5
151.04944	0.5
151.07611	4.1
151.11182	100.0
151.14815	1.7
169.03500	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	151.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.01883	1.9
55.05514	5.0
57.07088	9.5
57.07326	1.0
67.05181	1.3
67.05515	29.1
67.18981	0.8
68.61523	0.7
69.03426	4.9
69.07065	5.1
71.08630	9.3
73.03691	0.7
79.05508	5.9
81.07061	20.4
83.04992	1.5
83.08647	1.6
89.05998	1.1
91.05471	7.0
93.07038	8.3
95.04972	6.3
95.08611	100.0
105.07030	17.1
107.08599	8.1
108.05758	1.0
109.06537	12.3
109.10160	64.5
110.01274	0.9
123.04464	5.6
123.08075	21.2
123.11671	8.9
128.02321	1.8
133.06499	14.3
133.10141	3.9
137.02805	1.9
143.89377	0.8
151.03963	1.6
151.07550	46.9
151.08600	2.5
151.10150	3.3
151.11215	21.0
151.14821	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	152.107
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96796	0.5
55.01882	0.6
55.05515	3.9
56.05035	3.4
58.06598	2.4
65.03951	0.6
67.05512	6.7
67.26473	0.5
68.05037	9.8
69.07082	0.6
70.06578	0.8
76.51591	0.8
78.63802	0.6
79.05499	21.2
80.05010	2.6
81.07069	7.2
82.06594	8.4
83.08617	1.3
84.04494	0.8
85.06557	2.2
85.52119	1.4
88.00470	3.6
88.02374	2.8
91.05473	2.5
92.12104	0.6
93.07034	4.4
95.08585	1.0
96.08122	3.5
97.01000	3.3
97.02880	1.2
97.10181	0.8
97.44431	0.6
98.06080	1.2
99.51262	2.5
105.07040	2.2
107.08595	8.2
108.08117	5.8
108.51773	1.2
109.06577	0.8
109.10183	2.7
110.06042	2.0
110.09687	0.7
117.06992	2.0
124.07612	0.7
124.11235	36.5
134.09679	10.1
135.08073	7.1
141.93518	0.8
152.01671	1.1
152.03467	4.1
152.05678	12.7
152.07043	3.8
152.10709	100.0
153.04057	1.4
160.30287	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	152.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63115	1.1
56.05038	1.6
56.59408	1.1
56.96575	1.5
57.07070	1.9
58.07389	1.4
58.65672	1.2
60.32169	1.3
67.05488	7.3
68.05849	1.3
69.07049	8.4
70.07388	1.3
72.08129	2.5
76.51572	8.1
79.01838	2.2
79.05481	8.0
80.05828	1.5
81.07040	9.4
81.52460	1.5
82.06552	6.4
82.07385	6.8
84.08132	2.2
85.52077	7.6
88.00476	18.1
88.02372	19.3
93.07031	14.4
93.49429	1.4
95.08598	16.4
96.08163	10.1
96.08939	20.5
97.01009	15.5
97.02895	13.2
99.21880	1.7
99.51276	23.5
106.01478	3.3
106.97503	1.5
107.08619	12.3
108.08959	1.3
108.51761	8.9
109.05274	1.5
109.10156	12.9
110.06093	1.9
110.06821	1.8
110.09704	3.2
110.10463	24.6
111.02029	1.8
111.08052	8.1
111.09194	2.5
115.96444	5.7
124.07601	4.8
124.08403	1.6
124.11195	2.0
124.12031	3.3
133.97421	1.7
134.05971	1.6
135.11670	8.9
152.03391	16.5
152.05624	10.6
152.07031	8.9
152.08121	5.1
152.11583	41.6
152.14293	100.0
153.04018	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	152.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63115	1.1
56.05038	1.6
56.59408	1.1
56.96575	1.5
57.07070	1.9
58.07389	1.4
58.65672	1.2
60.32169	1.3
67.05488	7.3
68.05849	1.3
69.07049	8.4
70.07388	1.3
72.08129	2.5
76.51572	8.1
79.01838	2.2
79.05481	8.0
80.05828	1.5
81.07040	9.4
81.52460	1.5
82.06552	6.4
82.07385	6.8
84.08132	2.2
85.52077	7.6
88.00476	18.1
88.02372	19.3
93.07031	14.4
93.49429	1.4
95.08598	16.4
96.08163	10.1
96.08939	20.5
97.01009	15.5
97.02895	13.2
99.21880	1.7
99.51276	23.5
106.01478	3.3
106.97503	1.5
107.08619	12.3
108.08959	1.3
108.51761	8.9
109.05274	1.5
109.10156	12.9
110.06093	1.9
110.06821	1.8
110.09704	3.2
110.10463	24.6
111.02029	1.8
111.08052	8.1
111.09194	2.5
115.96444	5.7
124.07601	4.8
124.08403	1.6
124.11195	2.0
124.12031	3.3
133.97421	1.7
134.05971	1.6
135.11670	8.9
152.03391	16.5
152.05624	10.6
152.07031	8.9
152.08121	5.1
152.11583	41.6
152.14293	100.0
153.04018	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	152.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.4
56.05041	2.2
60.57222	1.1
66.88589	1.2
67.05509	2.4
67.21192	1.4
68.05019	1.6
69.07060	5.5
70.06590	1.4
76.51582	5.8
77.33257	1.3
79.05492	7.1
81.07079	4.5
82.06580	6.0
84.08139	3.1
85.52100	1.6
88.00477	20.3
88.02350	11.6
88.71346	1.3
93.07048	9.2
95.08604	2.2
96.08135	7.6
97.01019	22.2
97.02893	7.6
98.00094	1.4
99.51275	20.1
106.01563	1.3
107.08604	10.7
108.51785	6.5
109.10153	5.4
110.09708	4.1
110.10432	1.7
111.09200	2.2
111.61831	1.4
115.96412	2.1
124.07616	2.2
133.97505	2.5
135.11688	8.0
152.01642	2.0
152.03442	10.3
152.05705	8.7
152.07094	7.5
152.11720	2.4
152.14343	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	153.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.6
55.05519	8.0
57.03446	4.6
59.03719	0.4
59.93104	0.9
65.03938	0.7
67.05231	0.4
67.05505	6.2
68.05012	0.9
69.03421	0.6
69.04524	0.8
69.07046	3.3
69.75314	0.5
70.06592	5.1
70.99191	1.0
71.01320	0.7
71.04974	1.9
71.06100	1.0
71.20205	0.4
72.08165	3.6
72.30127	0.5
77.49443	0.8
79.05494	39.6
79.99710	4.9
81.03403	2.3
81.06607	0.8
81.07056	14.9
83.04975	2.3
83.06104	0.5
83.08620	3.7
84.08146	0.8
85.02937	0.5
85.07638	2.4
88.00481	1.2
88.50639	0.7
89.00253	79.5
89.50282	1.2
91.05475	6.8
91.50489	3.4
93.03370	0.6
93.07044	26.7
94.07346	1.0
95.04987	3.5
95.06092	3.8
95.08588	3.0
97.06518	4.3
97.10156	4.7
97.51193	0.8
98.00772	84.2
98.50852	2.7
99.06731	0.8
100.01460	0.8
100.51038	100.0
101.01205	5.3
105.01529	0.7
105.07034	1.2
107.01305	8.7
107.04958	2.5
107.08592	34.4
107.51812	0.6
109.06519	24.0
109.07638	0.9
109.10152	0.6
109.51561	35.5
110.01617	1.9
110.07172	8.5
110.09739	0.5
111.04443	3.2
111.08069	42.4
111.09234	3.0
112.01820	14.1
112.05059	2.2
112.08729	19.9
112.09486	1.0
112.51907	0.7
114.94183	0.4
115.05442	0.8
117.07009	12.0
117.95974	14.7
118.52082	0.8
118.96751	5.0
121.02386	1.0
123.08128	0.8
125.06001	0.9
125.09610	10.8
125.10460	0.7
126.10292	4.2
135.08052	31.7
135.09085	1.1
135.11714	1.2
135.97032	9.1
136.08691	7.3
140.97560	7.9
153.05608	0.8
153.06638	0.7
153.09151	30.8
153.11336	67.9
158.98615	2.0
160.90152	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	153.091
Annotation	3-Isopropylcatechol
Peak:m/z	Relative Intensity
53.03961	0.4
53.92674	0.3
55.01882	9.9
55.05521	13.4
57.03444	2.0
65.03943	2.1
67.05516	10.5
68.05840	0.4
69.03432	1.9
69.07064	4.0
70.94246	2.2
70.95876	1.7
71.05003	1.0
73.02890	0.6
79.05499	73.7
80.05832	3.2
80.80163	0.4
81.03429	0.5
81.07063	21.3
82.06575	0.6
82.07393	0.7
83.05008	3.2
83.06909	0.7
83.08630	2.6
85.02923	2.2
88.95296	0.5
91.05488	6.1
93.03397	1.7
93.07048	17.8
93.07627	0.7
94.07358	0.8
95.04987	2.9
95.08607	2.4
97.02917	0.8
97.04680	0.5
97.06544	3.4
97.10170	12.6
105.07048	2.1
107.04962	3.2
107.08599	100.0
108.08905	0.9
109.06543	4.7
109.10162	1.0
111.04437	2.8
111.08081	13.2
111.96867	3.1
111.98483	0.5
115.05422	0.4
117.07030	5.5
121.02866	35.0
125.05982	2.6
125.09631	95.9
125.89256	0.4
129.97882	0.8
135.04451	0.7
135.08058	37.8
135.11607	1.0
136.08391	0.4
153.01895	0.5
153.05507	4.8
153.09108	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	154.9774
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66886	41.9
55.58025	37.4
84.64449	48.3
100.02457	55.7
109.45280	39.6
115.71620	45.3
131.96140	95.8
134.62184	48.2
139.22336	49.2
149.97208	100.0
155.04265	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	155.0466
Annotation	Diethylphosphoric acid
Peak:m/z	Relative Intensity
55.05512	0.6
56.03608	0.1
57.03445	1.6
57.07079	0.3
67.05515	0.5
69.07066	0.4
71.04996	0.7
72.93790	13.7
81.07066	1.3
83.08612	0.3
84.28568	0.1
85.06541	0.9
90.94831	4.1
95.05009	0.1
95.08609	1.2
97.10178	0.5
97.14388	0.1
98.98466	100.0
99.08092	0.2
102.71042	0.1
108.95868	0.5
109.10174	0.5
113.96396	18.7
116.99493	2.1
127.01559	7.5
131.97432	7.6
137.13254	0.6
138.01854	0.1
141.15056	0.1
154.16974	0.1
154.98967	0.2
155.04678	0.5
155.08507	1.0
155.14294	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0466
Annotation	Diethylphosphoric acid
Peak:m/z	Relative Intensity
55.05512	0.6
56.03608	0.1
57.03445	1.6
57.07079	0.3
67.05515	0.5
69.07066	0.4
71.04996	0.7
72.93790	13.7
81.07066	1.3
83.08612	0.3
84.28568	0.1
85.06541	0.9
90.94831	4.1
95.05009	0.1
95.08609	1.2
97.10178	0.5
97.14388	0.1
98.98466	100.0
99.08092	0.2
102.71042	0.1
108.95868	0.5
109.10174	0.5
113.96396	18.7
116.99493	2.1
127.01559	7.5
131.97432	7.6
137.13254	0.6
138.01854	0.1
141.15056	0.1
154.16974	0.1
154.98967	0.2
155.04678	0.5
155.08507	1.0
155.14294	0.6
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	Arecoline
Peak:m/z	Relative Intensity
53.39382	0.8
55.01880	10.0
55.05284	1.3
55.05526	28.2
57.07064	3.3
61.02931	1.8
67.01275	0.8
67.05517	10.4
69.06698	1.8
69.07073	49.5
70.06583	1.8
70.95875	2.0
72.04526	1.6
72.93790	3.8
75.38839	0.7
79.05498	7.9
82.06590	0.8
83.08625	100.0
85.10181	8.0
86.06062	4.2
86.09711	32.2
90.94840	1.1
91.05476	4.3
93.07046	27.0
95.04968	1.9
95.08607	22.2
97.06528	9.6
103.05474	1.5
110.07183	9.2
110.09686	35.4
111.08084	77.4
111.98487	1.5
113.96349	1.2
121.06508	12.7
123.43255	0.9
128.10733	27.8
128.11688	1.5
129.09111	1.2
129.44267	0.9
132.95844	11.2
138.09151	23.8
139.07545	35.9
150.96899	7.9
156.07817	1.1
156.10213	29.7
156.11362	4.1
157.08615	4.5
164.87930	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	156.102
Annotation	Arecoline
Peak:m/z	Relative Intensity
55.01881	8.7
55.05523	26.0
57.07079	3.0
57.72959	0.6
58.69846	0.7
61.02940	1.3
67.05519	11.8
67.07064	0.7
69.07076	42.3
70.06606	1.5
70.95862	1.6
72.04514	1.8
72.93794	4.9
73.17387	0.7
73.93848	0.7
79.05506	7.7
79.42268	0.7
81.07073	0.8
82.06622	0.7
83.08629	100.0
85.10188	7.6
86.06061	4.5
86.09710	39.0
88.96903	0.9
90.94827	0.9
91.05482	3.1
93.07044	26.6
95.04980	3.2
95.08613	23.3
97.06538	10.5
103.05469	1.4
110.07139	5.1
110.09690	32.3
111.08087	61.4
111.98531	1.3
113.96358	1.2
114.96721	1.1
121.06510	11.8
128.10727	26.5
128.11726	1.6
129.09140	1.6
132.95827	10.0
138.09148	22.1
139.07550	34.5
150.96846	8.0
156.07951	1.0
156.10208	25.2
156.11348	7.9
156.13844	1.3
157.08542	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	156.1382
Annotation	N-Methylpelletierine
Peak:m/z	Relative Intensity
55.05517	39.8
57.03433	2.1
57.07087	21.6
58.06591	4.6
64.38078	1.6
67.05516	16.7
68.05856	2.2
69.03445	3.8
69.07069	82.8
71.08619	7.5
72.04507	2.3
72.08169	3.7
79.05485	10.1
81.07066	34.9
83.04975	11.3
86.06072	30.0
93.07035	28.9
95.08585	18.6
97.06522	27.5
97.10170	99.2
100.07616	41.8
111.11726	25.7
112.13045	2.1
114.09157	7.6
114.12800	15.6
121.10149	48.6
139.11182	85.7
156.13840	100.0
156.17404	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	156.1382
Annotation	N-Methylpelletierine
Peak:m/z	Relative Intensity
55.01886	2.3
55.05518	36.6
57.06864	1.2
57.07087	20.2
58.06607	7.3
67.05512	13.8
69.03417	2.5
69.06702	2.5
69.07073	75.5
71.08623	9.8
72.04507	2.6
72.08151	3.6
79.05486	7.5
81.07066	36.0
83.04545	2.0
83.04972	12.7
86.06067	27.5
92.21567	3.3
93.07049	26.4
95.08602	18.5
97.06530	26.3
97.10167	94.2
97.41856	1.5
98.09679	2.5
100.07614	42.8
111.11717	22.5
114.09165	10.1
114.12803	15.4
121.10139	48.8
138.12798	2.1
139.11179	86.5
156.09259	2.4
156.13838	100.0
156.17487	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	157.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03781	0.5
53.03961	8.5
55.25002	0.7
55.41351	0.6
55.49780	0.6
55.87077	0.7
56.96564	3.0
57.03431	1.0
69.03436	61.3
70.06577	1.1
72.55042	0.6
72.75243	0.6
73.02923	17.4
74.93831	5.5
84.72026	0.6
85.02911	4.4
92.94851	1.1
97.02894	100.0
115.03930	51.2
115.96440	11.8
116.04272	1.7
116.07065	0.7
129.06990	1.0
133.97450	2.7
137.64951	0.7
142.07773	4.1
157.04971	1.2
157.10141	7.9
161.14389	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	157.0495
Annotation	4-Methyl-3-oxoadipate-enol-lactone
Peak:m/z	Relative Intensity
53.03957	5.1
55.85764	0.9
56.96573	13.0
57.03433	0.9
57.93565	1.7
69.03433	74.8
73.02927	13.4
74.93831	41.5
85.02894	4.3
92.94876	12.9
97.02893	100.0
97.99177	2.0
100.11264	10.3
105.37035	1.0
115.03934	38.0
115.96438	91.1
116.97179	3.9
122.38839	0.9
126.09159	1.9
129.06995	5.2
129.82129	0.9
130.06493	1.4
133.97476	29.9
141.06898	1.0
142.07777	15.7
156.99078	1.7
157.04964	9.8
157.06297	1.7
157.07634	3.3
157.10127	32.5
157.13312	1.9
159.18881	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	157.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59122	1.2
53.03949	1.3
55.01869	1.5
55.05521	45.1
56.96573	18.0
57.03437	6.6
57.07068	5.0
67.05521	13.2
69.03442	14.4
69.07074	100.0
70.06586	2.9
71.04988	3.3
71.08633	15.8
71.93784	1.3
73.02934	2.4
73.06564	3.2
74.93848	11.2
79.05513	23.7
81.07063	15.6
83.04987	64.6
83.08643	2.3
87.04466	5.4
92.94863	2.0
93.07051	45.4
95.08608	27.3
97.02892	16.5
97.06530	23.4
97.10178	36.5
97.99218	2.2
99.08089	5.7
100.11259	5.7
101.06020	2.6
104.48412	1.5
111.11730	5.4
115.03929	9.5
115.11217	2.0
115.96439	25.2
116.07079	3.1
121.10145	20.8
126.09102	2.6
129.07021	7.0
133.97484	7.8
139.11194	48.4
142.07796	9.5
144.41637	1.5
156.03047	1.4
157.10164	25.0
157.12219	35.6
157.13370	2.8
179.32330	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	158.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37187	0.7
53.59997	0.7
57.07089	10.1
69.07066	1.3
72.35265	0.9
74.06068	1.2
83.45716	0.8
83.50359	0.8
91.06096	0.8
95.08587	7.3
98.97607	10.5
102.09186	34.0
102.94650	1.0
116.98657	7.7
116.99374	1.1
134.99625	3.6
140.11426	1.3
158.15404	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.9965
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96576	15.5
59.93132	2.2
71.04993	3.5
76.93375	43.6
89.93108	1.7
94.94403	21.5
95.08596	3.3
98.97584	77.1
99.97919	45.9
108.56509	2.2
110.27462	1.8
116.98618	89.1
117.95974	100.0
117.98962	58.8
118.03505	12.7
118.96719	2.3
128.13098	1.9
131.08534	3.3
131.11787	17.4
131.97453	3.0
134.99654	82.5
135.97035	43.8
136.00009	63.9
136.01758	3.0
136.04544	9.4
136.13931	1.8
141.05106	11.4
143.47343	1.8
153.00706	10.5
154.01100	11.3
158.97623	3.3
159.01553	2.2
159.06160	4.2
159.08092	2.5
159.11523	10.2
159.15811	2.2
179.03758	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	159.0915
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
51.74347	0.6
58.87751	0.5
76.93375	1.5
114.39303	0.6
115.05463	2.4
117.05757	2.6
117.07013	1.4
117.95995	3.1
118.06513	0.9
130.06534	8.4
131.08565	3.4
132.08083	39.8
142.06538	6.6
159.09166	100.0
159.11652	11.5
160.07584	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	159.0915
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
53.03959	0.3
55.05514	1.3
57.03444	0.8
58.06835	0.3
58.09832	0.2
65.01305	0.3
67.05502	2.0
68.97455	0.3
69.07068	0.4
72.08160	0.4
75.02693	0.3
76.93377	0.6
79.05486	0.7
81.07065	23.6
83.47197	0.3
87.00806	1.3
90.53764	0.3
91.05492	0.5
93.03692	0.6
95.08611	10.4
98.97559	1.4
99.04450	0.4
99.08093	8.6
101.85027	0.3
105.07045	0.8
111.77418	0.4
115.05442	2.6
116.98627	0.4
117.01842	0.7
117.05723	2.2
117.07018	0.7
117.95993	1.9
118.06582	0.5
123.08081	2.6
130.06532	8.9
131.06885	0.5
131.08521	3.5
131.11748	0.5
132.08089	46.1
135.97073	0.6
141.09137	0.4
142.06526	8.1
144.09421	0.5
159.09175	100.0
159.11685	8.0
160.07581	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	159.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.1
55.01880	6.1
55.05519	1.7
56.96569	0.3
57.03438	1.1
57.07084	1.7
60.04525	0.2
65.03947	0.1
67.05177	0.2
67.05511	3.8
68.72793	0.1
69.07081	0.5
70.02959	0.2
71.05001	1.3
72.08166	1.4
73.61199	0.1
76.93355	0.3
79.05496	4.7
80.67702	0.1
81.03397	0.2
81.07063	21.8
83.08630	1.2
85.02916	1.4
85.06542	1.2
86.09715	0.7
87.00811	0.2
87.04478	0.3
87.05592	1.3
91.05492	0.8
93.07046	0.9
94.94392	0.2
95.04972	0.7
95.08610	26.2
96.08149	0.2
97.06533	100.0
98.97587	3.2
99.04454	0.5
99.08096	1.1
99.97891	0.2
101.62335	0.1
103.05472	1.5
103.07589	0.3
105.07043	1.4
111.08086	0.8
113.09647	0.3
114.09175	2.1
116.98605	1.6
117.01902	0.3
117.07035	0.1
117.95963	1.3
117.98988	0.2
123.08065	13.4
129.07082	0.2
131.04929	2.3
131.08575	2.2
131.11819	0.5
132.08070	0.2
134.99689	0.7
135.97073	0.3
141.09111	9.7
141.10205	0.3
144.09341	0.2
159.03125	0.2
159.04362	1.0
159.08089	1.1
159.09135	0.3
159.10164	0.8
159.11568	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	159.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.1
55.01880	6.1
55.05519	1.7
56.96569	0.3
57.03438	1.1
57.07084	1.7
60.04525	0.2
65.03947	0.1
67.05177	0.2
67.05511	3.8
68.72793	0.1
69.07081	0.5
70.02959	0.2
71.05001	1.3
72.08166	1.4
73.61199	0.1
76.93355	0.3
79.05496	4.7
80.67702	0.1
81.03397	0.2
81.07063	21.8
83.08630	1.2
85.02916	1.4
85.06542	1.2
86.09715	0.7
87.00811	0.2
87.04478	0.3
87.05592	1.3
91.05492	0.8
93.07046	0.9
94.94392	0.2
95.04972	0.7
95.08610	26.2
96.08149	0.2
97.06533	100.0
98.97587	3.2
99.04454	0.5
99.08096	1.1
99.97891	0.2
101.62335	0.1
103.05472	1.5
103.07589	0.3
105.07043	1.4
111.08086	0.8
113.09647	0.3
114.09175	2.1
116.98605	1.6
117.01902	0.3
117.07035	0.1
117.95963	1.3
117.98988	0.2
123.08065	13.4
129.07082	0.2
131.04929	2.3
131.08575	2.2
131.11819	0.5
132.08070	0.2
134.99689	0.7
135.97073	0.3
141.09111	9.7
141.10205	0.3
144.09341	0.2
159.03125	0.2
159.04362	1.0
159.08089	1.1
159.09135	0.3
159.10164	0.8
159.11568	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	159.1167
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
57.69927	0.3
67.05506	2.3
76.93361	2.8
79.05494	2.7
81.07047	2.4
82.59842	0.4
87.62430	0.4
91.05482	6.0
93.07040	1.0
94.94385	0.7
105.07035	6.6
115.05450	1.0
117.07018	26.3
117.95995	6.1
119.08551	0.5
124.21218	0.4
129.07039	1.8
130.07782	2.0
131.08568	36.1
131.11801	0.9
135.96994	2.2
144.09312	2.9
157.10164	1.6
159.08008	2.2
159.11687	100.0
173.87724	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	160.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20112	0.4
51.89881	0.4
56.05046	5.3
58.04081	1.9
61.04058	14.5
61.56066	0.4
62.46261	0.4
71.02464	0.9
72.04520	52.8
74.02441	3.1
74.06062	1.0
81.22073	0.5
84.05624	0.8
89.03487	0.9
89.07156	2.6
98.21130	0.5
102.05518	1.0
106.53580	0.5
114.06653	76.6
115.05023	2.3
116.04704	3.0
117.06623	6.4
118.05009	25.8
119.01898	0.6
133.93481	0.6
138.09032	0.5
142.03482	0.7
143.04535	1.2
160.07167	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09617	1.2
58.04081	10.8
72.04519	73.6
80.74863	1.3
81.29781	1.4
84.54522	1.3
87.94377	1.7
98.14994	1.7
118.05009	100.0
142.67853	1.4
142.86438	1.4
160.07164	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	160.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14946	0.5
56.05042	4.9
58.04072	1.4
61.04055	10.6
69.91679	0.5
71.02477	0.6
72.04520	44.3
74.02433	2.5
74.06081	1.1
74.61227	0.6
83.24882	0.6
86.64253	0.6
89.03500	4.4
89.07128	1.5
101.00893	1.1
102.05563	1.2
114.06651	65.2
115.05023	1.4
116.04721	4.2
117.06625	3.8
118.05026	25.4
119.01908	3.8
142.03516	6.5
142.04469	0.7
143.04552	1.3
160.07169	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62502	1.0
55.20556	1.1
57.71096	1.0
58.04087	11.8
61.04041	1.6
72.04515	64.1
81.74159	0.9
112.79985	1.0
114.06652	10.0
118.05007	100.0
122.29995	1.1
160.07156	86.2
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
54.03493	2.8
55.01884	1.3
55.05522	4.1
56.05045	1.4
57.03445	1.7
57.05356	0.3
58.04091	0.5
58.06605	0.3
59.05009	0.6
60.05649	0.4
61.04057	1.4
70.06596	1.7
70.35007	0.3
72.04107	0.3
72.04520	17.4
72.08160	62.1
73.02890	0.5
74.02462	0.3
74.06066	0.4
82.02950	11.2
82.99840	0.5
83.04990	1.8
84.04509	0.6
84.05643	3.9
85.02900	0.4
85.04781	0.3
86.06078	3.8
86.09724	0.3
87.04482	0.6
88.04005	0.5
89.04301	0.5
90.03778	0.4
96.08105	0.4
97.07652	3.2
98.06040	0.5
98.97634	0.4
99.78034	0.3
100.02504	0.5
100.03983	17.5
100.04647	0.6
100.07610	1.5
100.97181	0.4
100.98064	0.4
101.00877	13.3
101.06020	8.4
102.05553	6.0
102.67794	0.3
104.07139	0.4
113.96420	0.6
114.01924	0.7
114.03806	0.3
114.04730	0.8
114.05530	22.7
114.06648	6.5
114.09147	2.1
114.10294	39.0
115.03931	1.9
115.08688	7.3
116.04737	1.5
116.07114	0.3
117.06606	0.5
118.03517	1.5
118.05014	8.1
118.08657	15.8
118.96746	1.7
119.01919	67.3
121.02351	0.3
124.02447	7.8
124.20485	0.3
125.06066	0.3
125.07105	0.6
128.03441	1.8
128.07278	0.4
128.08203	2.4
131.97403	0.4
132.06609	3.9
132.10217	0.5
136.04491	0.6
137.02966	17.2
137.03992	0.7
142.03508	100.0
142.04956	9.1
142.08640	1.9
142.09782	3.0
143.08150	12.0
146.04709	0.4
154.96426	0.5
160.04533	30.9
160.06010	3.7
160.07208	13.4
160.09752	2.8
160.10808	50.9
165.05161	0.9
178.05528	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	160.1081
Annotation	delta-Guanidinovaleric acid
Peak:m/z	Relative Intensity
51.34528	0.2
55.05495	0.2
56.05050	0.6
58.04087	0.3
59.05008	16.2
60.05653	3.3
61.04056	1.0
69.03410	0.4
70.06572	0.3
72.04521	6.0
72.08159	4.2
74.06104	0.3
82.32368	0.2
86.06064	8.4
98.09682	2.3
100.03980	1.1
100.07616	0.9
101.00876	5.1
101.06020	100.0
102.05556	0.3
111.05566	1.3
113.96374	0.5
114.05486	0.4
114.05831	0.3
114.06642	5.7
114.09173	0.5
114.10282	1.2
115.08679	0.3
116.04727	0.9
116.10768	0.3
117.06559	0.3
118.03539	0.5
118.05020	4.8
118.08652	9.0
118.96770	0.5
118.98176	0.3
119.01911	25.3
124.02432	3.2
128.08192	4.7
137.01955	0.4
137.02956	6.8
137.85611	0.3
142.03500	37.1
142.08614	0.4
143.08144	2.1
160.04562	11.8
160.07198	9.8
160.09651	6.8
160.10805	46.0
178.05534	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	160.112
Annotation	Creatine ethyl ester
Peak:m/z	Relative Intensity
53.91025	0.2
56.00595	0.2
72.04527	0.3
91.68703	0.2
96.42608	0.2
103.53187	0.2
110.05576	0.2
118.05000	1.3
118.07306	0.3
119.08608	0.2
121.19524	0.2
127.25564	0.2
130.06572	0.4
132.08890	0.3
144.08026	2.0
145.08871	24.3
160.11201	100.0
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	Creatine ethyl ester
Peak:m/z	Relative Intensity
53.91025	0.2
56.00595	0.2
72.04527	0.3
91.68703	0.2
96.42608	0.2
103.53187	0.2
110.05576	0.2
118.05000	1.3
118.07306	0.3
119.08608	0.2
121.19524	0.2
127.25564	0.2
130.06572	0.4
132.08890	0.3
144.08026	2.0
145.08871	24.3
160.11201	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.1332
Annotation	3-aminooctanoic acid
Peak:m/z	Relative Intensity
55.01892	5.7
55.05523	44.9
56.62746	0.7
57.07082	10.0
59.04995	1.0
67.05515	5.2
69.03423	6.8
69.07064	8.5
72.04512	5.0
79.05498	21.0
80.58298	0.6
81.07059	12.2
83.05009	4.1
83.08627	60.1
86.06067	9.1
96.85734	0.7
97.10173	100.0
100.07624	4.7
100.11270	7.6
101.09708	1.2
107.08595	28.6
114.06633	8.4
118.05005	3.3
118.06581	0.8
119.04984	0.7
125.09631	58.3
142.03534	1.0
142.12300	15.5
143.10690	5.6
145.05318	1.1
160.07558	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	161.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	5.6
56.05036	0.3
67.05524	0.3
69.07078	2.6
72.44653	0.3
79.05521	0.4
81.07069	3.0
91.05481	4.0
93.07021	2.1
95.08626	0.4
97.10183	1.5
103.05484	0.6
104.06282	0.4
105.07034	22.0
107.08602	1.6
112.76194	0.3
115.05441	0.5
115.09283	0.3
117.07008	1.3
119.08579	100.0
120.08106	0.7
121.08791	0.3
121.10166	2.9
131.08557	0.5
133.06473	2.9
133.10129	19.1
138.03439	0.5
143.03671	0.3
143.08591	0.5
146.03648	0.7
146.10844	0.5
159.11703	1.2
161.04848	0.3
161.05969	2.8
161.07228	0.6
161.09644	4.1
161.13248	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	163.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
62.10253	1.2
69.45387	1.2
71.04980	2.6
77.58761	1.2
81.03429	10.7
82.88837	1.2
85.02905	38.9
87.03873	1.2
88.11745	1.2
99.03816	2.6
99.04456	72.4
103.03944	100.0
107.08614	2.4
109.02864	5.8
121.10141	1.5
127.03912	76.2
137.85913	1.4
152.02747	1.3
163.14813	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	163.06
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37796	0.8
53.03947	1.6
53.45044	0.7
57.37041	0.8
57.97048	0.7
59.63111	0.7
61.02923	1.1
62.36535	0.7
66.32248	0.8
69.07121	0.9
71.04982	3.2
77.12499	0.9
81.03406	7.4
85.02907	42.4
93.07053	1.6
99.04454	65.9
103.03944	100.0
105.07072	1.1
107.05008	1.4
107.08612	5.3
109.02862	8.6
119.08616	1.0
121.10172	2.0
125.52503	0.9
127.03915	63.0
131.04936	5.2
135.08081	1.6
135.11646	1.9
145.04982	1.4
160.28693	1.0
163.07559	5.1
163.11154	6.3
163.14792	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	163.06
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	2.0
55.01890	1.8
55.05519	1.2
61.02923	2.0
62.15995	1.0
63.77351	1.1
67.05523	5.1
69.03436	3.1
71.04965	2.6
73.02908	1.5
77.96616	1.4
78.97412	1.2
79.05492	9.1
81.03428	10.9
81.07076	13.1
85.02428	2.4
85.02914	43.3
85.45319	1.2
91.05480	1.8
93.07047	17.9
95.04992	2.5
95.08609	10.3
97.28178	1.7
99.04460	66.2
103.03954	100.0
103.05457	23.8
105.07066	2.8
107.04964	4.9
107.08605	19.6
109.02875	6.1
117.07004	2.4
119.08573	5.4
121.00774	2.5
121.06535	2.3
121.10150	25.2
127.03922	64.9
131.04936	49.4
135.04424	2.2
135.08089	3.0
135.11711	7.4
139.01880	1.6
145.10147	17.7
163.01871	2.6
163.03905	15.4
163.07562	29.4
163.10141	2.8
163.11200	59.7
163.14827	19.7
181.02805	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	163.06
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.6
61.02913	0.8
68.98376	0.7
69.03429	1.1
69.07061	4.2
70.09393	0.7
71.04996	2.9
81.03428	8.0
81.07040	1.4
83.08640	3.5
85.02909	36.9
87.50611	0.8
88.63881	0.7
91.05491	1.1
93.07052	4.9
93.87106	0.7
94.33758	0.7
95.08633	1.4
97.84417	0.6
99.04459	67.2
103.03949	100.0
105.07006	0.8
107.04961	0.8
107.08604	12.5
107.62032	0.7
109.02874	5.6
117.21791	0.8
117.22624	1.0
121.10145	22.5
122.07303	0.9
127.03915	61.2
131.04939	4.4
135.08113	0.9
135.11699	6.1
145.04945	1.5
160.75835	0.7
163.07562	1.8
163.11160	6.6
163.14798	10.1
171.57884	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	163.1116
Annotation	Valerophenone
Peak:m/z	Relative Intensity
51.55679	0.3
55.05493	0.4
57.31767	0.2
62.61732	0.3
67.05511	0.5
69.07064	0.5
75.05534	0.3
79.05492	1.5
81.03419	1.4
81.07066	1.2
85.02899	0.7
91.05477	0.4
93.07043	3.9
95.04957	0.6
95.08601	1.6
96.52660	0.2
97.07878	0.3
99.04453	1.2
103.03928	2.0
103.05466	1.2
105.07040	0.6
107.04948	4.7
107.08583	2.7
112.02061	0.3
117.07014	1.2
119.08553	0.6
121.06487	1.6
121.10138	1.8
126.08058	0.3
127.03918	1.4
128.06247	0.3
131.04939	2.2
135.08035	0.5
135.11687	1.9
145.10120	1.5
154.68974	0.3
163.03909	0.6
163.07573	2.1
163.11174	100.0
163.14825	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	163.1229
Annotation	(-)-Nicotine
Peak:m/z	Relative Intensity
51.57407	0.4
66.34370	0.5
69.03418	1.9
80.05001	2.6
80.51373	0.4
84.08147	5.0
85.02888	3.7
94.06533	0.5
101.60589	0.4
106.06554	24.9
115.05431	0.6
117.05756	11.8
120.08099	10.5
126.38744	0.5
127.03892	0.7
130.06526	46.0
132.08086	81.9
163.12291	100.0
181.02956	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	163.123
Annotation	(-)-Nicotine
Peak:m/z	Relative Intensity
55.01875	0.4
57.03434	0.7
61.02926	0.9
66.03760	0.4
69.03432	2.8
73.02915	0.4
80.05013	3.2
81.03394	0.8
84.08148	5.3
85.02911	6.4
94.06567	0.7
97.02910	0.9
99.04467	0.6
103.03960	0.9
105.01925	0.4
106.06554	24.6
109.02834	0.4
115.05390	0.5
117.05743	8.1
120.08114	9.0
121.00813	0.5
121.01678	0.5
127.03891	0.7
130.05522	1.0
130.06525	45.1
132.08089	82.8
149.02763	0.5
163.01836	2.8
163.08673	5.8
163.12294	100.0
181.02827	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	163.148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.8
57.07064	1.6
61.02929	1.9
64.49861	1.1
67.05518	10.1
69.07069	10.8
72.26007	1.1
79.05502	22.5
81.07065	37.4
83.08607	7.1
85.02888	2.8
91.05457	5.1
93.07043	41.0
95.04954	2.8
95.08607	33.0
103.05453	2.2
105.07056	2.6
106.81554	1.2
107.04958	2.4
107.08598	58.7
115.71982	1.2
117.07018	5.1
119.08572	2.4
121.06505	1.6
121.10139	53.4
121.95756	2.5
131.04913	6.2
133.02863	1.5
135.08041	2.5
135.11685	14.6
145.10124	5.1
163.03882	13.7
163.07509	7.6
163.09908	2.5
163.11174	32.1
163.14801	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78131	0.6
55.05528	6.0
57.07053	1.1
58.06550	0.7
67.05508	5.8
69.07066	13.3
74.57426	0.8
79.05502	12.1
81.07060	44.7
81.08956	0.8
83.08628	8.1
85.02870	2.9
90.28397	0.7
91.05474	4.2
93.07046	33.1
95.08613	25.0
97.10201	1.1
99.04437	5.9
103.03946	8.0
105.07034	1.1
107.05000	1.1
107.08598	97.9
109.06541	1.2
121.06452	3.1
121.10138	35.7
127.03941	5.6
131.04895	1.2
135.11719	12.0
163.03897	3.9
163.07552	3.0
163.11191	10.5
163.14813	100.0
165.02582	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	163.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00597	0.8
53.03944	1.5
55.01867	1.0
55.05517	5.4
57.03424	1.5
57.07077	4.5
57.99097	1.0
68.99771	1.9
69.03426	5.0
69.07069	20.3
69.64652	0.9
73.02926	0.9
79.05504	12.2
81.03437	1.8
81.07066	5.8
83.08642	9.8
85.02901	9.7
89.03935	2.2
89.56641	1.1
91.05482	8.7
93.07049	26.7
95.04964	2.1
95.08620	5.5
99.04437	2.6
103.03957	2.6
103.05475	49.5
105.07037	9.7
107.04935	9.9
107.08601	82.9
109.02960	1.1
117.03345	1.6
117.07021	5.4
119.08575	6.6
121.00799	4.5
121.06451	1.3
121.10143	70.5
123.08013	1.3
127.03891	2.0
131.04932	100.0
132.08112	1.1
135.04457	9.5
135.08069	4.6
135.11700	43.7
139.01808	4.9
145.02812	1.9
145.03903	1.2
145.06453	1.2
145.10146	5.9
163.01933	9.1
163.03900	92.0
163.07533	35.4
163.08650	1.6
163.11176	25.0
163.12437	1.9
163.14813	48.8
181.02873	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	164.0738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29099	0.2
56.05041	44.4
57.16180	0.2
63.02710	1.5
74.02442	16.8
74.06078	21.8
76.93459	0.3
82.01447	0.6
84.04033	0.5
84.04504	8.4
85.02896	2.4
100.02489	2.7
102.05540	100.0
118.03523	0.7
120.63747	0.3
128.07040	0.4
164.07260	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	164.1069
Annotation	EPA
Peak:m/z	Relative Intensity
60.25514	0.3
72.04517	49.1
73.89746	0.3
81.57298	0.3
82.01439	0.6
86.31010	0.3
91.05482	2.4
93.07037	10.5
97.65793	0.4
100.02465	3.1
109.06514	2.6
118.03474	0.6
119.04938	77.3
142.46701	0.4
164.10695	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01775	0.4
53.32227	0.4
56.05041	2.2
56.19312	0.4
57.05377	2.0
57.61171	0.3
58.08944	0.3
67.22071	0.4
67.58592	0.4
74.02441	0.6
74.06065	0.8
75.06440	0.5
82.01473	0.7
82.99840	0.7
83.01543	0.7
95.04955	0.6
100.02483	2.0
101.00886	27.2
101.02587	3.1
102.05555	3.1
103.05885	4.1
118.03535	0.5
119.01922	89.1
119.04939	1.0
123.04411	2.3
124.02451	12.6
137.02965	20.1
137.04027	0.7
142.03505	100.0
160.04562	20.1
165.05112	1.0
170.03302	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	165.0545
Annotation	cis-2-Hydroxycinnamate
Peak:m/z	Relative Intensity
50.02039	0.4
56.46546	0.4
60.51894	0.5
62.61847	0.4
73.38486	0.5
82.09065	0.5
91.05475	8.3
93.07027	1.2
94.99207	0.5
95.04966	38.0
96.49424	0.5
98.55090	0.4
100.02449	0.8
101.00879	18.5
101.02598	0.7
103.05466	3.4
105.04514	0.6
109.06516	3.1
119.01918	81.3
119.04938	38.4
119.06047	2.5
121.06496	2.8
122.09711	0.6
123.04427	100.0
124.02448	8.6
124.03944	0.8
137.02954	18.4
137.05981	2.1
142.03500	86.3
147.04401	17.2
147.05525	0.9
160.04549	20.5
165.05368	3.1
165.06593	4.2
165.07726	0.9
165.08965	0.6
165.10231	2.6
183.57957	0.6
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	Unknow
Peak:m/z	Relative Intensity
53.03949	0.5
55.01870	2.6
55.05516	1.3
57.03421	0.5
67.05511	8.0
69.03420	1.3
69.07058	0.8
73.21490	0.6
79.01801	0.6
79.05502	4.8
81.03432	0.9
81.07066	10.8
83.01521	1.5
83.04987	1.5
83.08651	0.7
85.23128	0.5
88.82531	0.5
90.39296	0.6
91.05480	15.0
92.21104	1.0
93.07048	9.5
95.04967	3.5
95.08601	8.5
96.17917	0.7
97.02895	45.5
97.06542	0.9
100.02477	3.8
101.00868	5.4
101.02565	9.6
105.07017	8.2
107.04939	0.9
107.08586	6.0
109.02892	15.1
109.05885	0.6
109.06513	5.4
109.10165	8.4
111.04436	0.6
117.07008	1.3
118.03552	0.7
119.01915	23.4
119.03606	3.9
119.04923	3.3
119.08577	42.4
121.10133	6.5
123.04433	3.2
123.08077	6.7
123.11703	2.3
124.02460	1.3
124.03951	1.0
129.06975	2.6
130.36224	0.6
132.05678	1.3
137.02957	5.6
137.05907	0.6
137.07982	0.9
137.09612	16.0
142.03502	26.4
142.05202	0.7
147.04410	9.8
147.08052	60.3
147.11678	8.6
160.04552	4.8
165.05376	3.4
165.09103	100.0
165.12753	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	165.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91238	0.7
54.85080	0.7
55.01879	0.8
55.05510	1.7
57.03439	3.4
57.07080	1.0
57.94036	0.6
63.99800	0.9
67.05515	8.2
69.03438	1.3
69.07063	3.9
79.05493	5.4
81.03415	1.1
81.07064	20.6
83.01488	1.5
83.04983	3.4
83.08624	1.3
85.15823	0.7
91.05480	11.2
93.07016	7.5
95.04961	5.0
95.08601	16.9
97.02886	6.7
100.02512	8.5
101.00883	5.9
101.02557	21.2
105.07037	11.5
107.04953	0.9
107.08591	9.8
109.02884	4.8
109.06518	11.4
109.10156	12.0
117.07028	1.3
118.03515	3.5
119.01917	43.3
119.03607	7.1
119.04939	4.0
119.08571	43.1
121.10137	20.0
122.07275	1.2
123.04476	1.1
123.08085	13.1
123.11688	6.2
124.02441	5.1
124.03997	1.1
132.05751	1.8
133.02858	1.6
137.02991	9.5
137.06000	3.5
137.07025	0.9
137.09618	45.5
137.13188	1.9
142.03500	44.3
147.04419	7.2
147.08051	100.0
147.11682	15.0
160.04556	10.1
165.05460	1.6
165.06941	4.6
165.09102	48.2
165.12753	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	165.1274
Annotation	4-n-Pentylphenol
Peak:m/z	Relative Intensity
53.19155	0.3
53.62649	0.3
54.69048	0.3
54.69335	0.3
55.01881	0.8
55.05514	1.9
55.14405	0.4
55.29088	0.3
55.94921	0.3
57.03440	4.2
58.24339	0.3
59.96860	0.3
65.18372	0.3
67.05508	17.1
69.03434	2.5
69.07065	4.0
70.77616	0.3
71.05003	0.7
73.41651	0.3
79.05497	12.5
81.07060	43.7
83.04998	4.5
83.08627	0.5
85.06539	2.5
91.05478	14.9
91.71644	0.4
93.07040	20.1
95.04964	4.5
95.08608	12.0
97.06531	6.3
99.08085	0.4
105.07032	33.6
107.08591	16.8
109.06518	7.2
109.10154	3.8
115.85336	0.4
119.08576	29.3
121.10139	46.0
123.08085	4.5
123.11690	7.4
131.08609	0.4
131.23898	0.4
137.09630	1.8
137.13232	2.1
145.10117	0.7
147.04396	0.6
147.11684	90.8
165.09041	1.7
165.12740	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.3
57.03432	2.1
57.50628	1.0
59.04999	1.2
67.05512	12.4
69.03434	4.1
69.07064	5.4
71.04990	1.2
71.73474	1.1
75.26268	1.1
79.05489	4.3
81.07067	13.6
84.70895	1.0
91.05486	7.9
92.20885	1.0
93.07042	2.3
95.04971	28.3
95.08609	15.2
101.00911	1.7
101.02539	1.5
105.07052	11.2
107.08604	26.6
107.50572	1.0
109.06520	17.4
109.10155	2.4
119.01902	9.6
119.04935	11.2
119.08586	25.6
121.10154	7.3
123.08076	26.3
123.11701	21.2
137.03036	1.1
137.09605	5.3
137.13277	4.7
142.03500	9.9
147.04401	35.1
147.08061	18.9
147.11703	9.3
160.04523	1.7
165.05403	1.4
165.09094	6.6
165.12756	100.0
176.69862	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	166.0723
Annotation	7-Methylguanine
Peak:m/z	Relative Intensity
56.05048	0.2
68.62630	0.2
70.06593	1.9
72.39121	0.2
74.02440	0.9
74.54652	0.2
74.63966	0.2
84.01199	0.2
84.08139	0.9
85.60427	0.2
86.09735	0.8
91.29405	0.2
92.05802	0.2
95.06095	0.5
96.05275	0.4
101.00890	0.3
102.00979	0.5
102.02237	0.5
109.05139	1.3
110.03519	1.2
115.02434	0.3
116.07051	0.2
119.01911	1.1
119.52262	0.3
120.02018	2.3
120.05278	1.3
120.08088	2.1
121.06519	0.3
123.04414	0.6
123.06736	0.2
124.04837	3.0
128.04565	1.7
129.10245	0.3
133.03453	0.3
135.02988	0.3
136.06197	1.9
137.02985	0.2
137.05962	1.5
142.03503	0.3
142.06169	0.5
143.00235	0.2
143.03593	2.2
147.11339	0.3
148.04778	0.4
149.04593	6.5
149.05859	0.9
153.04079	3.5
161.04706	0.5
166.07248	100.0
166.08582	8.1
167.05644	13.4
167.07089	0.4
175.11966	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	166.0724
Annotation	3-Methylguanine
Peak:m/z	Relative Intensity
56.05041	0.7
56.96584	0.3
57.50190	0.2
70.06586	0.5
73.77560	0.3
74.02428	3.2
75.02708	0.3
79.65134	0.3
80.94970	0.5
84.01196	0.6
84.08152	3.1
86.09712	0.7
87.73498	0.3
89.22353	0.3
95.04963	0.6
98.95260	0.3
102.00983	1.4
102.02231	4.4
102.05539	0.6
106.06548	0.6
107.04949	0.7
110.02412	1.4
110.03514	2.8
119.01907	2.7
120.01990	7.8
120.03274	1.4
120.05295	0.4
120.08102	16.0
121.06493	0.7
123.06665	1.3
124.04734	0.7
125.02507	0.4
128.04573	3.4
129.10265	0.7
131.04880	0.4
134.06050	1.6
135.02985	0.4
137.03017	0.7
138.03049	2.1
138.05472	0.5
142.03491	2.1
142.96738	2.0
143.03635	9.9
148.03853	0.4
148.07579	0.6
148.11259	0.5
149.02716	0.5
149.04602	11.6
149.05936	1.5
149.07114	1.5
153.04060	1.7
160.04474	0.3
161.04663	2.5
166.04968	2.7
166.07239	100.0
166.08511	5.0
166.12219	1.7
167.05626	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	166.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	0.8
79.05502	1.1
84.01215	0.5
90.94997	0.4
91.05434	0.4
93.07049	1.0
94.06555	1.8
94.07144	0.4
95.04996	0.8
96.42024	0.4
99.86920	0.5
102.02251	3.1
103.05486	4.5
106.06561	4.6
106.09802	0.4
107.04971	2.8
120.01968	0.5
120.03283	1.7
120.08109	96.0
122.06001	3.6
123.06812	8.3
125.09598	0.5
131.04932	3.1
134.06018	6.7
135.06781	1.0
136.07585	10.9
138.05496	1.0
138.09146	0.5
142.96748	0.7
149.05997	1.0
150.05513	11.7
151.06294	15.6
166.08633	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	166.0862
Annotation	Phenylalanine
Peak:m/z	Relative Intensity
53.03954	0.1
64.82392	0.1
77.03877	0.1
79.05487	0.7
81.53976	0.2
91.05489	0.2
93.07035	0.9
95.04943	0.3
103.04810	0.3
103.05467	5.2
105.04530	0.2
107.04957	2.1
113.15151	0.1
120.08098	100.0
131.04938	2.8
149.05983	0.9
166.08604	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	167.0336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.7
55.05513	6.2
65.03947	100.0
67.05512	30.9
69.03421	7.6
69.07059	2.1
79.05474	1.7
83.04979	24.3
83.25302	1.3
93.03405	85.6
93.07026	3.1
95.04954	2.3
97.02888	6.5
99.00842	2.0
107.01306	1.5
107.08594	3.2
111.04430	16.6
121.02863	50.3
121.10117	2.0
122.03641	7.0
125.02344	35.2
130.46283	1.4
131.21368	1.5
139.03894	11.6
139.05421	8.7
145.08771	1.3
149.02339	78.7
154.57820	1.4
162.73495	1.5
167.03403	43.2
167.04826	4.9
167.07042	7.5
167.08429	4.2
167.14366	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	167.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63596	0.3
52.98764	0.2
53.89256	0.2
54.07653	0.2
56.20155	0.3
56.62991	0.2
60.54778	0.3
60.97710	0.3
62.44013	0.3
65.03934	0.3
67.05511	0.4
69.07063	0.3
78.04705	5.4
79.05494	3.5
81.03401	0.4
81.07047	1.3
83.04967	0.3
83.08611	0.3
84.96035	0.4
93.07034	0.7
95.04939	0.6
97.06499	0.3
105.03391	5.4
106.04179	10.7
107.04966	3.1
107.08592	1.7
109.06486	0.5
114.37453	0.3
120.02023	0.4
121.01655	1.4
121.06505	0.3
121.08459	0.6
121.10159	0.6
122.03612	0.5
123.04422	4.2
124.05200	5.4
131.08487	0.3
134.03632	22.0
139.07544	3.3
144.03203	1.4
149.09610	0.6
149.13272	0.4
151.03838	2.5
152.04678	33.0
167.07024	100.0
167.13716	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	167.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32729	0.2
65.03943	0.4
67.05476	0.2
78.04720	4.6
79.05505	2.9
81.07059	0.9
83.04955	0.3
93.03397	0.5
94.04146	0.3
95.04985	0.9
96.05748	0.3
105.03399	5.0
106.04182	11.6
107.04993	2.3
107.08602	0.4
109.06499	0.3
120.02099	0.4
121.08419	0.3
121.10149	0.3
122.03680	0.3
123.04429	3.6
124.05213	5.6
129.38197	0.3
134.03644	21.5
139.07544	2.4
144.03294	0.3
145.18034	0.2
149.02332	0.6
151.03862	2.2
152.03395	0.3
152.04689	31.8
167.07037	100.0
167.14253	0.5
179.68340	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	3-Methoxy-4-hydroxyphenylacetaldehyde
Peak:m/z	Relative Intensity
55.01881	0.4
65.03926	0.5
67.05489	0.7
78.04704	5.0
79.05493	3.3
81.07081	0.8
84.96025	1.0
87.22915	0.3
93.03394	0.4
93.07028	0.7
95.04974	0.8
97.06499	0.4
102.94834	0.4
105.03400	4.8
106.04182	11.2
107.04958	2.1
107.08585	0.8
109.06561	0.8
111.99494	0.5
116.94972	0.4
121.01700	2.3
121.02837	0.4
121.10159	0.7
123.04406	5.1
124.05200	5.6
125.05983	0.4
134.03638	20.2
139.02722	0.6
139.07532	1.8
144.03265	2.8
149.02344	0.5
151.03926	2.3
152.03394	0.4
152.04684	30.3
167.07036	100.0
167.08330	4.5
167.14285	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	167.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98594	0.2
58.45350	0.2
61.20016	0.3
65.03946	0.5
67.05505	0.5
69.07082	0.5
75.87039	0.3
78.04723	5.9
79.05500	2.7
81.07067	0.6
84.96040	0.4
91.05495	0.3
93.03429	0.6
95.04959	1.4
105.03401	6.8
106.04180	12.4
107.04964	2.4
107.08574	0.4
109.02888	0.5
111.04477	0.3
111.08101	0.3
111.42391	0.3
121.10152	0.5
122.03651	0.5
123.04417	4.5
123.28042	0.3
124.05212	5.0
134.03641	25.5
135.41824	0.3
139.07588	3.0
144.03215	0.4
148.68048	0.3
149.13254	0.5
151.03896	2.5
152.04691	32.5
167.07036	100.0
167.14325	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0703
Annotation	4-Ipomeanol
Peak:m/z	Relative Intensity
53.03946	0.3
55.01879	0.3
55.05499	0.3
56.96576	0.3
66.64173	0.2
67.05488	0.3
71.04987	0.4
74.01807	0.2
76.37080	0.3
76.41169	0.2
78.04711	3.9
79.05495	2.4
81.07070	0.6
83.04968	0.5
84.08141	0.3
84.96009	0.4
93.07054	0.5
95.04949	1.4
96.05759	0.4
97.06525	0.4
98.97592	0.4
105.04527	0.4
106.04190	3.5
107.04952	1.7
107.08595	1.4
109.06520	0.3
110.01365	0.5
111.04442	0.5
111.08070	0.4
112.02865	0.3
119.91332	0.3
120.08090	1.4
121.01680	2.5
121.06525	0.5
121.07682	0.6
121.08443	10.2
121.10090	0.3
122.03652	0.5
122.06029	0.3
123.04428	10.9
124.05215	4.1
125.05949	0.3
126.02521	0.6
134.03639	0.6
135.04402	0.5
137.05975	0.7
139.02724	0.5
139.07578	0.9
144.03212	2.1
149.06036	0.5
149.09619	0.7
151.03897	1.7
152.04669	4.6
160.21980	0.2
162.04196	0.3
167.07030	100.0
169.91678	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	167.1429
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
55.05523	17.8
57.03445	2.5
57.07094	1.8
60.42730	0.9
65.03935	4.6
67.05510	22.2
69.03437	1.1
69.07076	64.6
69.74899	0.9
71.04992	10.5
74.40312	0.9
79.05493	10.7
81.07059	34.3
83.04993	2.4
83.08622	59.8
85.06537	7.6
86.78257	1.1
91.05463	2.1
93.03385	2.0
93.07044	34.0
95.08601	10.5
97.06537	14.1
97.10128	4.1
99.08109	1.5
107.08594	29.3
109.06565	1.2
109.10143	6.2
111.08096	19.0
121.01659	2.3
121.10163	21.9
122.65025	1.2
123.11707	6.1
125.02393	1.2
125.09577	5.1
141.45290	1.2
144.03279	2.3
149.02321	10.2
149.13261	87.5
152.04710	2.4
167.07014	18.4
167.08487	7.4
167.10658	5.5
167.14297	100.0
177.55295	1.2
189.06790	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	167.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02402	0.8
53.00310	1.2
53.03958	0.9
55.01878	1.7
55.05520	29.4
57.03442	11.0
57.07077	5.8
59.05007	1.3
65.03950	5.6
67.04967	0.7
67.05511	24.1
69.03414	1.9
69.07074	60.9
71.01345	0.7
71.04996	11.6
78.04705	3.7
78.98322	0.7
79.05499	21.7
81.07063	43.0
83.04993	9.6
83.08626	60.6
84.96043	1.2
85.06555	8.3
91.05484	5.3
92.20853	1.2
93.03410	3.6
93.07048	44.9
95.04961	4.1
95.08613	28.9
97.06534	22.1
97.10177	10.8
99.08093	1.2
105.07047	1.6
106.04216	1.5
107.04984	7.1
107.05588	0.7
107.08600	45.7
109.06528	3.6
109.10162	20.2
111.08080	18.1
111.47504	0.9
121.01682	4.1
121.02860	3.1
121.08392	1.3
121.10147	25.0
123.04425	12.2
123.11738	10.5
124.05279	5.8
125.02341	3.6
125.06055	1.0
125.09634	7.8
131.08562	1.3
134.03674	1.2
135.04404	0.9
139.02734	1.1
139.07564	0.9
144.03270	2.9
149.02373	4.1
149.06021	1.2
149.09659	5.0
149.13263	87.4
151.03902	1.8
152.04703	5.2
152.06310	0.9
167.07045	100.0
167.08464	7.1
167.10568	7.5
167.14307	87.4
186.75616	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	167.143
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
55.01887	2.8
55.05523	25.6
56.50495	3.1
56.96568	10.2
57.03435	15.0
57.07087	4.1
65.03934	5.7
67.05497	23.3
69.03432	2.5
69.07076	57.3
69.29490	2.6
69.52043	2.2
70.04509	2.3
71.04990	12.6
79.05507	20.4
79.80592	2.4
81.03407	3.7
81.07060	41.0
82.81101	2.3
83.04967	13.1
83.08620	51.1
84.96016	4.9
85.06519	9.6
87.76813	2.7
91.05490	3.4
93.03413	4.4
93.07046	47.3
95.04971	4.9
95.08610	25.4
97.06527	15.2
97.10116	2.6
97.99203	3.6
102.02187	3.3
102.94864	2.8
105.40588	2.5
107.04941	9.7
107.08590	50.8
109.06515	6.3
109.10163	21.0
111.05561	4.2
111.08067	23.6
116.98624	2.8
121.01692	19.6
121.08438	15.9
121.10146	43.1
123.04453	11.9
123.08060	2.9
123.11690	12.5
124.04577	10.5
125.06046	2.9
125.09629	5.0
130.34090	2.7
131.08572	4.4
134.03650	3.4
139.02687	5.4
139.11102	3.4
144.03259	22.1
149.02309	16.5
149.09619	15.5
149.13264	86.1
152.04677	13.3
162.04355	5.5
167.07027	100.0
167.08304	8.8
167.10649	13.0
167.11855	10.2
167.14279	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	167.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.9
55.05520	66.8
57.03438	1.4
57.07073	2.2
59.05007	9.8
67.05502	12.7
68.62154	1.0
69.03434	20.4
69.07059	9.0
71.04985	3.0
79.05476	6.7
81.07062	18.1
83.04984	100.0
83.08620	45.1
85.06528	10.0
91.05484	1.7
93.07050	10.3
95.04988	1.3
95.08620	11.6
97.06516	5.2
97.10150	12.9
99.08091	1.5
105.06995	1.3
107.04929	1.7
107.08582	24.4
109.06538	2.1
109.10161	24.8
111.08083	28.8
112.08844	7.0
113.09638	5.4
115.02338	1.3
121.08424	1.8
121.10135	18.2
123.04478	1.6
123.11684	13.8
124.02849	2.0
125.06004	1.9
125.09628	19.5
127.56516	1.2
149.09641	1.9
149.13249	10.8
151.52829	1.2
167.06989	17.6
167.10674	2.2
167.14291	77.4
168.17265	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	168.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
67.93557	0.5
76.57789	0.4
81.03429	0.7
86.73135	0.4
94.54492	0.5
97.02882	2.1
98.98472	1.1
99.04463	5.6
101.28585	0.6
109.02906	0.7
126.97210	1.1
127.03922	4.6
138.05515	7.4
140.95168	0.7
153.07860	22.1
168.10196	100.0
186.80266	0.5
188.98109	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	169.1221
Annotation	Geranic acid
Peak:m/z	Relative Intensity
53.70510	1.9
55.05522	23.9
57.03439	13.1
57.07079	12.8
67.05177	3.4
67.05506	47.9
68.99782	11.8
69.07056	10.5
71.01356	48.6
71.04990	6.0
71.62469	2.5
72.31500	2.7
74.10219	2.2
77.23370	2.2
77.87424	2.3
79.05534	3.3
81.07058	100.0
83.04999	3.2
83.08609	10.8
83.31202	2.1
83.98095	2.4
85.06541	4.7
89.30264	2.3
91.05470	4.0
95.08585	4.5
97.10154	4.6
99.04479	10.7
105.07057	4.5
107.08600	4.5
109.02864	2.6
109.10181	4.3
111.09190	3.6
112.99228	3.4
113.00014	77.1
113.06026	17.3
123.11646	3.0
127.07516	4.6
128.10709	77.4
152.03380	2.6
169.02559	16.7
169.10043	10.8
169.12215	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	169.1222
Annotation	Geranic acid
Peak:m/z	Relative Intensity
54.60650	1.2
55.05519	14.6
56.11890	1.4
57.03447	11.9
57.03675	1.3
57.07089	16.2
67.05500	8.0
68.99802	12.8
69.07081	3.0
71.01362	60.9
71.04979	5.6
72.85860	1.9
74.03690	1.3
79.05477	1.3
81.03437	6.4
81.07064	24.2
82.57922	1.4
83.04980	1.6
83.08615	6.8
85.02920	1.6
85.06528	1.9
95.04977	3.8
95.08624	3.3
99.04475	16.7
101.08228	1.4
106.47204	1.5
109.06597	1.9
109.10159	3.1
111.08076	1.6
111.09202	3.5
113.00018	91.9
113.06005	26.6
116.89083	1.6
125.09658	1.6
126.68510	1.5
127.07545	5.9
128.10730	51.4
128.11697	2.1
141.05560	1.7
153.96280	1.5
169.02609	22.2
169.10074	2.6
169.12248	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.2
55.16136	0.4
57.11441	0.5
58.06613	1.0
64.37286	0.4
67.05516	6.8
68.21641	0.4
69.07057	3.1
70.06596	50.5
71.04988	0.7
79.05508	0.7
81.03429	1.1
81.07051	3.6
83.08604	0.5
84.08141	2.7
91.05483	0.6
93.07045	0.8
95.04974	0.7
95.08609	1.3
109.06508	0.6
109.10159	9.6
111.04446	0.7
126.12795	42.1
128.07135	0.6
128.10716	14.1
137.09607	0.6
139.05894	0.9
141.05429	2.7
141.06949	1.1
152.03506	0.8
154.07787	1.1
169.04926	0.8
169.06134	0.5
169.10306	5.9
169.13354	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	169.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85458	0.5
55.05500	1.2
57.10424	0.5
58.06605	0.8
59.06917	0.5
62.02911	0.5
67.05511	6.6
69.07054	3.3
70.06595	49.9
71.04989	2.7
81.03421	1.0
81.07058	4.0
83.34990	0.6
84.08152	1.4
90.53490	0.6
93.07029	0.7
95.05002	0.8
95.08594	3.0
98.98487	0.6
109.02901	0.7
109.06533	1.2
109.10152	8.5
110.09669	0.9
113.00024	1.4
117.02867	0.6
123.08009	0.7
126.12794	42.8
128.10712	25.0
139.05823	1.0
141.05443	1.4
141.06998	2.5
141.95308	0.7
145.96791	0.6
151.07513	0.9
152.03444	0.9
154.07759	0.9
169.04897	2.6
169.06233	1.1
169.07588	1.3
169.10210	9.5
169.13356	100.0
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
55.05509	1.3
55.42698	0.2
57.07064	0.3
63.69886	0.2
64.29418	0.2
67.05495	0.4
68.61976	0.3
69.07074	2.0
79.05479	0.5
81.07069	0.5
82.07404	0.3
83.08607	1.5
86.06061	0.3
93.07064	0.3
97.10165	1.8
100.11248	0.3
107.08589	2.0
109.10120	0.4
110.06060	0.5
111.08064	0.4
115.05462	12.7
124.07590	1.0
124.11206	0.6
125.09644	2.1
128.95093	1.1
135.08115	0.4
140.10719	0.6
141.12654	0.3
142.06526	21.7
142.85437	0.3
146.96138	0.4
149.59752	0.3
152.07085	1.2
170.06004	100.0
170.11761	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	170.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11449	0.3
68.05004	0.3
68.59791	0.2
70.06590	3.8
71.68338	0.3
74.13159	0.3
79.05502	0.5
82.46433	0.3
88.96880	0.5
96.08150	0.4
110.07181	0.6
112.08747	0.3
115.05461	14.2
124.07574	0.4
128.95074	2.9
138.06654	1.2
138.10272	24.6
142.06531	19.9
145.86313	0.3
146.96146	1.4
150.42802	0.3
160.07568	1.0
170.06009	100.0
170.09204	1.9
170.12883	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	170.081
Annotation	L-Noradrenaline
Peak:m/z	Relative Intensity
53.68433	0.6
54.64984	0.6
55.01873	2.8
55.05534	0.6
55.33049	0.6
56.05027	4.3
56.93224	0.6
65.20325	0.6
68.05022	1.2
69.03417	3.0
70.06595	40.5
71.04991	0.8
71.38902	0.6
72.13441	0.7
74.07195	0.9
76.79072	0.6
79.05487	3.1
80.81630	0.7
84.04499	2.8
86.03538	0.6
86.06100	0.9
87.04463	2.3
92.21550	0.7
96.04471	2.6
96.08130	21.3
100.07632	0.8
106.06556	7.5
107.08543	0.6
108.08152	1.0
110.06019	0.9
110.07184	7.9
114.05527	3.1
114.09169	8.8
114.34165	0.8
115.03992	0.6
115.05494	0.6
124.03928	1.0
124.07582	59.6
124.11202	1.4
125.08353	1.1
128.05666	5.1
128.07077	1.1
128.95090	4.2
138.06673	4.8
142.04948	1.3
142.06641	1.1
142.08636	28.8
143.86073	0.7
146.96144	3.0
146.97404	1.2
146.99670	1.2
152.03436	1.0
152.07056	3.9
152.08147	1.6
170.06029	5.1
170.08104	100.0
170.09306	4.8
170.10420	3.3
170.11719	2.0
170.12912	3.2
179.96275	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	170.0923
Annotation	Nalpha-Methylhistidine
Peak:m/z	Relative Intensity
55.00682	1.9
55.05512	2.9
55.93540	3.8
56.96593	2.1
57.03463	2.0
57.04567	5.2
59.67076	2.2
63.60217	2.2
66.60366	1.9
68.05022	8.6
68.13132	2.2
69.06741	1.9
69.07084	2.8
70.06590	13.6
70.95849	3.5
72.04519	3.0
72.08153	2.7
79.05491	3.1
81.07045	2.9
82.06571	4.9
83.01349	4.8
83.04968	2.9
83.08643	4.6
84.05616	2.3
84.08131	3.9
86.06070	4.1
88.96878	2.5
94.06611	2.7
96.04501	10.3
96.08129	3.7
100.04016	2.5
100.07617	61.6
105.24822	2.0
106.06540	3.7
107.08578	2.4
110.02417	27.2
110.06053	28.5
110.07169	73.7
111.04479	8.6
112.08688	2.8
114.05508	4.3
114.97160	3.3
124.07587	32.4
124.08587	4.3
124.11249	2.2
125.05925	2.2
125.07086	4.9
125.09597	2.9
126.05687	3.4
126.06638	95.0
127.07423	36.0
127.55682	1.9
128.07079	67.9
128.95088	50.0
129.11034	2.8
135.70387	2.3
138.05545	2.7
138.06592	4.2
138.10280	34.3
142.09752	14.8
146.96179	34.7
146.97313	4.8
152.07043	17.2
152.08176	29.2
154.22208	2.2
170.05977	35.4
170.08044	18.9
170.09270	100.0
170.11684	5.4
170.12892	30.5
170.15311	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	170.1174
Annotation	Piperidione
Peak:m/z	Relative Intensity
51.60321	0.6
53.03934	0.8
55.01880	8.6
55.05519	49.1
57.03423	2.9
57.07084	13.8
58.06599	4.7
62.80323	0.7
65.03942	0.8
67.05180	1.1
67.05510	25.2
69.03430	8.5
69.07068	9.7
72.04532	4.7
72.63647	0.7
75.86109	0.6
79.05497	42.0
81.07063	17.3
82.06564	5.6
83.04967	4.2
83.08620	74.4
84.08167	2.0
86.06069	13.4
88.50279	0.7
91.05470	5.3
93.07040	20.5
93.80204	0.6
95.08607	0.9
97.10169	100.0
98.98464	0.9
100.07629	6.0
100.11256	14.4
100.98896	7.6
105.07007	1.0
107.08596	80.5
109.06518	2.7
109.10146	9.3
111.08080	4.2
117.06995	4.6
124.07628	0.9
124.11224	55.4
125.09627	78.4
128.95078	3.4
135.08052	31.9
142.12277	27.2
146.96147	3.7
152.07066	0.8
152.10707	7.6
153.09102	11.7
155.03358	0.7
170.05901	2.8
170.08253	1.4
170.09500	6.1
170.11751	48.0
171.10170	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	170.1174
Annotation	Piperidione
Peak:m/z	Relative Intensity
53.86790	1.5
55.01876	10.6
55.05520	47.9
57.07087	16.9
63.36277	1.5
67.05505	26.5
69.03430	4.6
69.07063	12.9
74.03330	1.8
78.75059	2.1
79.05074	2.5
79.05502	42.3
81.07056	12.0
82.06579	2.9
82.13625	1.6
83.08627	73.3
86.06065	13.4
90.52747	1.7
93.07043	21.1
97.06535	2.7
97.10172	100.0
100.07605	8.4
100.11261	16.2
105.44007	1.8
107.08594	76.6
109.10156	11.5
111.08109	2.0
117.07042	2.9
124.11234	43.0
125.09637	73.5
129.11096	2.6
131.11436	2.3
135.08070	30.4
135.11729	3.2
140.56874	1.8
142.12286	26.9
152.10683	7.9
153.09094	15.7
170.09569	4.1
170.11780	54.1
170.15442	3.2
171.10138	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	170.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22448	1.2
53.03941	1.7
53.74417	1.1
55.01874	8.4
55.05280	2.3
55.05523	45.6
55.99593	1.3
57.07085	15.6
57.41071	1.0
58.06609	2.7
67.05509	22.5
69.03430	9.4
69.07067	7.4
72.04526	2.2
75.83797	1.2
77.76230	1.3
79.05500	36.7
81.07068	16.6
82.06562	2.1
83.04974	2.6
83.08132	2.3
83.08628	70.7
86.06069	15.5
93.07067	14.6
97.10172	100.0
100.07628	6.2
100.11285	12.6
100.98897	6.4
107.01263	1.4
107.08604	71.4
109.10149	10.5
111.08087	2.6
114.02953	1.5
117.07005	2.5
124.07568	2.7
124.10363	2.9
124.11223	41.2
125.09631	82.7
128.95088	8.7
135.08058	26.2
142.08545	2.4
142.12300	24.6
146.96129	3.4
152.07034	2.0
152.10698	3.7
153.09125	13.6
167.78256	1.4
170.05873	2.1
170.08180	2.0
170.09584	8.4
170.11769	46.0
170.13129	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	170.1538
Annotation	Nitramine
Peak:m/z	Relative Intensity
55.05516	13.9
56.62786	2.4
57.03440	4.1
57.07069	17.2
58.28219	2.4
59.00708	2.3
59.99210	2.4
67.05519	6.4
69.07074	100.0
71.05003	5.3
71.08650	11.7
72.08136	3.5
73.15419	2.4
79.05497	5.1
81.07059	28.4
83.04978	3.7
83.08625	22.9
86.06062	23.1
93.07049	21.7
95.08600	18.3
95.34593	3.1
97.06538	28.6
97.10178	18.2
100.07605	28.8
107.08592	30.4
109.10159	11.7
111.08102	13.1
111.11755	27.8
114.09183	20.7
124.11240	4.1
125.09621	6.9
128.14340	5.6
128.95107	15.8
129.11043	17.9
130.26178	2.5
135.11691	50.1
142.12292	4.4
146.96133	11.8
152.07097	4.1
153.12753	53.3
155.08467	2.8
170.05957	3.0
170.08316	2.7
170.09528	20.5
170.15414	59.1
188.54549	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	170.1537
Annotation	Nitramine
Peak:m/z	Relative Intensity
55.01886	2.5
55.05516	8.5
55.67306	1.6
56.45946	1.7
57.03431	4.2
57.07071	12.2
67.05505	3.4
69.07069	100.0
71.04963	2.4
71.08621	4.9
72.37093	2.0
79.05468	3.1
81.07057	15.3
83.04979	2.8
83.08623	14.5
86.06071	11.8
89.24985	1.9
89.67547	2.6
93.07034	13.3
95.08601	13.6
97.06525	20.5
100.07627	25.1
107.08603	20.1
109.10161	10.2
111.08070	14.0
111.11733	25.1
111.96825	2.4
114.09187	16.9
128.10699	3.4
128.14360	9.8
135.11702	55.5
153.12729	50.1
161.48180	2.2
170.15375	51.3
178.39101	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	170.1539
Annotation	Nitramine
Peak:m/z	Relative Intensity
51.61275	0.6
53.00287	0.5
53.03917	0.6
55.01868	3.7
55.05521	12.2
57.03435	4.1
57.07084	15.7
58.06591	1.6
59.05003	0.7
60.04511	0.6
60.54865	0.6
65.88371	0.6
65.93445	0.6
67.05504	6.4
69.03415	1.3
69.07073	100.0
70.06580	1.5
71.04981	4.3
71.08635	10.1
72.04511	3.1
72.08163	5.8
79.05490	7.5
81.07057	16.6
82.07374	0.8
83.04996	5.8
83.08623	21.4
85.10178	1.5
86.06076	16.1
86.09707	1.2
91.29633	0.6
93.07046	16.7
95.08604	15.5
97.05894	0.8
97.06528	25.4
97.10175	5.7
100.07623	25.5
107.08590	25.9
109.10160	10.5
111.08086	10.6
111.11715	25.1
113.00037	0.9
114.00368	0.9
114.09161	18.8
122.93697	0.7
124.11211	2.9
125.09626	4.5
125.13324	0.8
128.10715	3.5
128.14343	8.7
128.95111	0.7
129.11052	1.1
134.93398	0.7
135.08046	2.7
135.11697	50.9
142.12262	0.8
152.14394	1.1
153.12738	48.8
167.98853	0.6
170.09628	1.6
170.11757	3.2
170.15396	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	171.0166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69728	10.0
70.78450	13.1
72.08135	14.0
78.91805	11.7
81.03426	15.5
84.05617	22.5
84.08142	18.8
111.01886	16.8
129.02936	18.2
130.04491	12.6
139.01407	29.3
141.02814	11.7
157.02457	49.1
168.63373	16.1
171.09576	82.2
171.11272	100.0
172.53653	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	171.0651
Annotation	Penicillic acid
Peak:m/z	Relative Intensity
53.22234	0.4
55.01875	1.0
55.05512	2.4
56.05047	1.2
57.03444	0.7
60.05670	0.7
65.03947	9.5
67.05508	2.4
68.99780	3.8
69.03424	0.7
69.07061	2.5
70.06590	1.1
70.66158	0.6
71.04979	1.0
72.04506	1.0
72.08159	12.8
72.93764	0.5
73.70256	0.5
75.05602	1.3
79.05484	1.0
81.03421	1.0
81.07063	0.8
83.04981	6.3
84.04494	4.6
84.08145	3.2
86.09708	85.2
87.04475	0.8
89.07143	2.3
93.03375	3.8
93.07043	1.0
97.02904	0.7
97.06533	0.6
102.30802	0.5
107.04999	0.8
109.10119	0.8
111.04442	66.2
119.31049	0.6
121.02892	0.6
121.03983	6.5
125.06031	1.1
125.07100	1.3
126.05473	0.7
126.09130	0.8
127.85284	0.6
130.04994	1.3
133.56284	0.6
139.03911	100.0
143.11804	15.5
147.96870	3.4
154.04895	0.7
154.09720	2.3
154.15916	2.2
165.97870	0.8
171.06490	8.8
171.07715	1.7
171.08943	0.6
171.12404	1.2
171.14919	3.2
171.18471	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	171.0651
Annotation	Penicillic acid
Peak:m/z	Relative Intensity
55.01878	1.4
55.05513	1.2
57.66022	0.3
64.01055	0.2
65.03634	0.5
65.03950	7.6
67.05518	1.6
68.99792	3.6
69.03416	1.1
69.07063	1.5
70.06602	0.5
70.82858	0.2
71.05025	0.2
72.08157	3.3
75.05612	2.4
81.03423	0.5
81.07095	0.3
82.06590	1.9
83.04984	6.3
84.04514	0.7
86.09708	57.0
93.03409	5.2
95.04974	0.3
97.02898	1.2
107.04982	0.4
108.05554	0.3
108.94697	0.3
111.04443	61.5
113.07137	1.5
114.50662	0.3
115.03984	0.5
121.02872	1.4
121.03996	5.7
125.02394	0.4
125.05988	0.3
125.07114	0.3
127.03929	0.3
130.05066	1.1
139.03906	100.0
143.11795	10.4
147.96864	0.5
161.03790	0.3
163.72456	0.3
171.02930	0.4
171.06516	6.8
171.07764	1.4
171.11224	0.4
171.14937	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	172.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44723	0.3
50.72046	0.4
51.55122	0.4
55.05524	4.3
56.05023	0.4
57.03440	2.0
57.07096	0.6
59.05004	5.1
60.81128	0.3
66.80949	0.4
67.05511	60.5
69.03448	0.5
69.07076	0.7
71.05002	3.4
74.06065	0.4
75.53072	0.4
81.07066	7.6
83.08623	5.5
85.06544	3.0
91.05470	3.2
93.07044	2.0
95.08607	6.3
99.08097	0.9
105.17646	0.4
107.08607	0.8
109.10160	100.0
111.08092	4.0
119.08586	7.0
127.11135	0.6
137.09616	4.2
139.52376	0.4
143.12357	0.5
146.42662	0.4
154.12283	0.8
155.10670	9.5
167.32402	0.4
172.13341	2.6
172.16966	0.5
173.11726	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	172.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	4.1
56.05055	0.4
57.03440	1.0
57.07096	0.7
58.06614	0.7
59.05011	4.4
59.47667	0.5
60.74821	0.4
63.52893	0.5
67.05513	67.4
69.03414	0.5
69.07066	2.0
71.04984	2.5
72.40411	0.4
74.06078	2.4
74.27896	0.5
81.07066	6.3
83.08263	0.5
83.08640	7.1
85.06555	2.8
86.42913	0.5
91.05482	3.6
93.07038	2.9
95.08611	8.6
99.08101	2.3
107.08609	0.8
109.10160	100.0
111.08088	3.0
119.08587	8.1
124.14956	0.5
127.11135	0.5
137.09599	4.4
154.12263	0.9
155.10683	9.5
172.09755	1.8
172.12044	0.6
172.13371	1.7
172.16980	0.7
173.11729	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	172.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	4.6
57.03440	1.0
57.07080	0.9
59.05017	4.5
67.05512	60.7
69.07070	1.8
71.04987	2.8
74.06099	0.6
79.05504	0.6
81.07068	6.4
83.08635	7.7
85.06557	3.4
91.05484	3.0
93.07043	1.1
95.08614	6.8
97.94233	0.4
99.08113	0.5
107.08609	1.1
109.10160	100.0
111.08077	4.2
119.08575	6.2
125.49289	0.5
132.16193	0.5
137.09615	4.9
145.62268	0.4
155.10670	11.3
172.13271	1.9
173.11731	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	172.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	3.0
57.03441	1.0
59.05010	4.5
67.05511	65.1
69.07075	1.0
71.04983	2.2
81.07074	6.4
83.08627	7.1
83.48740	0.4
85.06536	1.9
86.06060	0.5
91.05488	3.4
93.07045	2.0
93.64990	0.4
95.08592	6.8
99.08063	0.5
100.72803	0.4
107.08616	0.7
109.10159	100.0
111.08077	3.6
119.08585	6.4
137.09618	4.0
154.12273	0.8
155.10672	11.3
172.13313	2.0
173.11726	23.8
181.39308	0.5
185.70810	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	172.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45807	0.4
55.05524	4.7
56.96575	5.6
57.07088	0.6
57.96535	0.5
58.06596	0.8
59.05002	4.0
67.05509	64.6
69.07052	2.1
71.04989	2.3
74.06071	6.0
81.07060	6.0
83.08630	8.0
85.06538	2.6
86.06062	1.1
91.05477	2.9
93.07040	2.9
94.80511	0.5
95.08610	7.3
99.08086	2.7
107.08604	1.1
107.90798	0.6
109.10159	100.0
111.08075	4.3
119.08571	5.9
131.00137	0.9
131.20981	0.6
137.09598	4.5
149.01253	7.4
154.12215	1.9
155.10664	8.2
156.44241	0.6
167.02287	1.9
172.09669	2.6
172.10992	0.7
172.13232	1.1
172.16835	1.8
173.11726	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	172.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.4
56.81274	0.8
57.07077	1.8
57.18519	0.7
59.05000	5.4
67.05508	63.6
69.07085	1.7
71.04984	3.5
74.06086	0.9
81.07071	6.4
83.08641	7.9
85.06538	2.0
86.06054	0.9
91.05489	3.5
92.21014	1.0
92.25199	0.8
93.07043	1.3
95.08606	7.6
99.08096	1.2
109.10156	100.0
111.08022	2.9
116.85040	0.8
119.08594	6.0
131.27609	0.8
137.09618	4.8
155.10622	10.6
172.13368	1.0
173.11717	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	172.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26523	0.3
57.07084	7.9
59.94152	0.3
60.44159	0.4
62.07542	0.3
69.07063	1.7
71.04990	0.9
71.08624	2.3
73.30739	0.4
74.06081	7.1
79.76939	0.4
83.08641	0.8
85.10169	1.8
88.07632	24.8
92.20922	0.7
95.08609	0.5
100.07601	0.7
102.09185	12.6
109.10165	0.5
116.10753	2.9
172.16954	100.0
182.96745	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	173.1172
Annotation	9-Oxononanoic acid
Peak:m/z	Relative Intensity
50.70358	0.4
51.73640	0.4
55.05524	7.1
56.64614	0.3
57.03457	4.1
57.03694	0.4
57.07099	1.4
59.05008	6.5
62.81440	0.3
67.05510	100.0
68.09688	0.4
69.03438	0.7
69.07050	0.8
71.04993	3.7
71.08646	2.7
74.10459	0.4
79.05492	0.7
79.72617	0.4
81.07059	12.9
83.08627	9.0
83.91828	0.4
85.06541	3.6
86.09707	0.5
86.74612	0.4
91.05486	5.6
93.07024	3.4
95.08609	5.2
96.68235	0.4
99.08097	0.7
105.07041	1.0
107.08627	1.8
109.10159	98.4
111.08081	3.4
115.05455	0.7
117.07006	2.2
119.08586	6.2
127.56739	0.6
129.06999	0.5
131.08577	19.8
137.09607	1.0
143.08554	1.7
145.06464	0.9
145.10120	6.6
155.10692	3.1
158.07196	0.7
158.10951	3.7
165.00400	0.4
173.05878	1.4
173.09669	4.5
173.11714	12.2
173.13240	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	173.1172
Annotation	9-Oxononanoic acid
Peak:m/z	Relative Intensity
55.05523	7.4
57.03447	2.0
57.07079	2.0
59.05011	6.1
65.03952	0.5
67.05510	93.7
69.07072	1.7
71.04992	3.5
79.05499	1.4
81.07060	11.3
83.08626	9.6
85.06548	3.2
86.76203	0.3
91.05493	3.9
93.07063	3.2
95.04953	0.4
95.08593	4.8
99.08116	0.3
99.48836	0.3
101.71172	0.3
105.06989	0.4
107.08587	1.9
109.10157	100.0
109.63171	0.4
111.08087	2.5
117.07006	2.1
119.08562	6.7
129.06970	0.4
131.08565	7.7
133.00716	0.3
137.09637	2.2
138.90964	0.3
143.08559	0.4
144.09328	0.5
145.10121	4.0
152.63783	0.3
155.10646	2.7
158.10931	1.4
173.09593	1.8
173.11719	9.4
173.13240	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	173.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	2.0
56.05040	2.9
60.04533	33.9
61.74883	1.3
67.05512	2.0
68.05013	1.6
69.03448	1.7
69.07082	2.1
70.02940	7.1
70.06595	7.4
72.04514	6.9
72.08162	17.3
72.93790	3.6
74.77326	1.3
81.07053	2.1
84.04485	1.7
84.08149	14.4
86.06074	3.0
86.09706	100.0
87.05593	58.2
87.06949	1.4
90.90411	2.7
90.94834	11.6
101.09427	1.6
105.61497	1.5
109.06551	2.5
110.09689	3.0
111.04379	1.9
112.11278	3.7
113.02389	1.6
113.96408	2.2
114.09189	2.4
116.07111	2.6
128.10710	58.5
129.10139	1.8
131.92986	2.2
131.95235	2.3
131.96173	10.5
131.97418	7.8
137.05986	2.0
140.01978	1.7
141.08504	2.5
149.93965	3.3
149.96085	7.4
149.97238	7.6
153.75838	1.6
158.08813	3.6
173.07079	2.3
173.09972	3.3
173.11269	4.2
173.12817	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	173.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18472	0.6
57.07083	64.3
66.45483	0.6
66.60712	0.7
67.05511	0.9
68.36622	0.7
74.09718	15.9
90.04834	0.7
100.07622	6.4
105.07052	0.8
117.10251	19.3
130.15916	100.0
131.08583	5.6
138.71585	0.7
143.08578	1.2
145.10126	3.3
156.13828	10.5
158.10905	1.8
161.65579	0.8
168.14003	0.8
173.09615	1.5
173.13275	14.8
173.16486	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	174.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03244	0.5
54.03482	7.8
54.07869	0.3
55.06096	0.3
60.05653	0.3
67.97403	0.3
69.07056	1.4
70.95866	8.3
72.04533	0.4
72.77654	0.3
72.93798	3.3
76.31314	0.3
82.02947	28.7
86.06071	58.5
86.09710	12.8
87.04475	0.4
88.96910	1.4
90.94833	1.3
91.39525	0.3
96.04449	0.3
97.06484	0.3
98.06000	0.4
100.03962	0.7
111.98477	14.6
113.96392	1.6
114.05531	100.0
115.07556	0.7
115.45711	0.4
128.03419	0.4
128.11819	5.6
129.05443	0.4
129.99509	3.8
131.97449	0.7
132.10217	2.4
132.95837	25.5
142.05000	39.8
145.58583	0.4
150.96893	29.7
155.97423	9.5
157.09763	1.4
163.42601	0.3
173.98491	10.9
174.05478	0.7
174.07660	3.4
174.12379	9.3
181.31584	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	174.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21316	0.3
50.76553	0.3
52.72945	0.3
54.03481	9.2
54.29666	0.3
54.66050	0.3
55.01893	0.4
55.93536	0.5
56.05042	0.6
60.04543	0.6
60.05661	0.6
64.05959	0.3
64.75038	0.3
67.16479	0.4
69.07068	1.9
70.95865	11.1
70.96231	0.7
72.93787	4.3
82.02945	28.3
84.04505	0.5
86.06067	58.4
87.04474	0.8
88.96902	3.1
90.94833	2.6
92.21532	0.5
97.02921	0.4
98.06033	0.6
100.03979	2.2
108.25972	0.5
108.95885	0.4
109.89835	0.3
111.98468	19.5
113.96394	1.8
114.05525	100.0
114.12774	0.4
114.94843	0.5
115.07568	3.4
116.12785	0.3
118.06548	0.6
119.49500	0.3
128.03403	0.4
128.07085	1.4
128.10696	0.4
129.07016	0.5
129.99507	8.3
130.06523	69.1
131.97452	1.9
132.08061	2.9
132.94348	0.5
132.94792	0.8
132.95833	37.6
142.04994	40.6
142.09714	2.2
144.08084	2.6
146.06004	2.4
150.96883	47.9
155.97411	14.6
156.08081	4.1
168.97900	1.4
173.98471	15.5
174.05461	1.8
174.07607	4.3
174.09134	2.6
174.12404	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1125
Annotation	N-Acetyl-L-leucine
Peak:m/z	Relative Intensity
55.01871	6.1
55.05518	10.0
60.04518	2.0
61.02917	1.1
64.47248	0.7
67.05502	4.1
67.70796	0.9
69.03417	1.0
69.07069	22.2
70.06572	1.0
70.95865	8.3
72.04512	1.0
72.93784	2.1
74.40824	1.0
78.96014	0.9
79.05502	4.3
79.20280	0.7
82.73941	0.9
83.08624	80.3
85.10178	4.8
86.06062	1.3
86.09702	12.1
88.96915	1.5
90.94817	1.4
93.07035	9.5
95.04969	1.1
95.08593	8.2
97.02882	4.2
97.06496	3.2
104.50858	0.8
110.09677	16.5
111.08082	74.6
111.98478	14.9
113.96346	1.1
114.05539	1.6
121.06517	8.3
128.10719	66.0
129.09120	2.1
129.99490	5.2
132.95831	27.3
138.09131	26.5
138.10089	1.5
139.07542	100.0
150.96884	27.5
155.97406	10.2
156.10196	93.3
156.11505	1.9
156.12108	1.2
157.08614	15.9
173.98470	9.5
174.07626	4.7
174.11230	17.4
175.09666	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	174.118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68858	1.1
55.05522	12.9
56.05043	36.4
57.03440	2.5
57.07075	1.9
57.39534	1.1
57.62421	1.1
60.04529	2.5
66.34983	1.2
67.05500	7.1
68.05849	2.2
69.03401	1.8
69.07063	20.1
70.95866	20.6
71.04987	2.3
71.08638	1.4
71.33991	1.2
72.04520	11.1
72.93794	9.2
74.06087	19.0
74.59455	1.0
76.05120	17.4
79.05492	6.6
81.07057	6.6
82.06580	2.1
83.04983	11.7
83.08612	5.9
84.04490	1.9
85.02935	1.1
86.06077	2.2
86.09710	2.2
87.05558	1.6
87.07670	1.3
88.96892	8.2
90.94800	5.6
91.27058	1.1
93.07037	13.7
95.08604	6.5
96.05602	2.2
97.02877	2.8
97.06535	8.1
97.10181	12.7
99.08125	1.7
100.07626	2.0
109.10161	1.7
110.10522	4.9
111.10798	1.2
111.11712	2.5
111.98475	32.4
113.96408	4.5
114.05558	2.3
114.09180	1.5
114.94791	2.2
120.02363	1.8
121.10144	12.2
127.35948	1.3
128.07086	2.2
128.08153	1.2
129.11050	2.8
129.99498	17.5
131.04929	1.2
131.97464	4.5
132.06514	2.3
132.95837	54.0
138.12752	3.0
139.11186	29.5
146.05986	1.6
149.98570	1.6
150.96895	100.0
155.97433	27.2
156.13821	15.6
168.97995	2.1
173.98488	30.9
174.06602	28.0
174.10170	1.7
174.14915	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	174.1237
Annotation	Indospicine
Peak:m/z	Relative Intensity
51.04329	0.4
60.05648	3.5
69.07075	16.2
70.95867	12.3
72.93791	4.5
73.06547	0.7
80.88889	0.5
86.06065	0.9
86.09708	100.0
88.96898	2.1
90.94799	2.1
95.08587	0.7
95.53792	0.5
96.04465	0.6
97.06524	2.5
102.82930	0.5
111.09189	4.0
111.97728	0.9
111.98477	21.8
113.96396	0.9
114.05524	3.6
114.09168	0.8
115.07556	8.6
128.11838	53.3
129.10251	7.7
129.99498	6.1
131.97435	0.8
132.10197	18.5
132.95836	36.3
135.97469	0.6
150.95671	1.3
150.96893	41.5
155.97420	14.4
156.11299	5.4
157.09731	11.7
163.54453	0.6
173.98483	13.7
174.12376	75.4
182.39561	0.5
192.88390	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	174.1237
Annotation	Indospicine
Peak:m/z	Relative Intensity
53.03931	0.4
55.93525	0.4
69.07068	5.1
70.95869	12.3
72.05648	1.1
72.93793	6.3
73.06554	1.2
78.31417	0.5
82.02943	2.0
84.08155	4.1
86.06073	5.5
86.09711	100.0
88.07626	0.5
88.96896	1.9
90.94827	2.3
94.06552	0.5
97.02875	0.8
97.06536	2.8
97.58299	0.4
101.03507	13.3
102.41416	0.5
111.09210	5.4
111.97713	1.0
111.98482	22.5
112.07634	0.6
113.06047	0.5
113.96374	1.0
114.05540	8.8
115.07571	2.2
128.11845	39.8
129.10243	4.2
129.99522	6.1
131.97470	1.0
132.10210	25.0
132.95842	33.4
137.66769	0.5
142.04988	3.3
150.96895	44.8
155.97424	12.5
156.10266	0.5
156.11313	4.6
157.09740	11.7
168.97978	0.7
173.98499	16.2
174.05426	0.9
174.07697	1.1
174.12379	77.5
181.91116	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	174.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31578	0.3
57.03433	0.7
58.04093	3.8
60.04533	0.4
62.48930	0.3
62.49306	0.4
69.04552	5.6
70.06607	0.4
70.95872	8.6
72.93794	4.9
76.05132	19.3
81.07052	2.4
83.87795	0.5
84.41142	0.4
86.03553	3.0
86.06066	3.4
86.09760	0.4
88.07635	33.2
88.96901	2.6
90.94840	0.8
97.02907	0.5
104.04593	2.0
111.98475	16.1
113.96436	0.8
114.05492	0.6
128.07072	0.6
129.99533	6.1
131.97420	0.5
132.06572	0.5
132.10245	3.0
132.95845	27.0
142.09766	1.0
149.98520	0.5
150.96892	36.9
155.97429	11.6
156.11328	58.4
168.97968	0.9
173.98488	12.4
174.12383	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1488
Annotation	9-Aminononanoic acid
Peak:m/z	Relative Intensity
55.01885	0.6
55.05521	5.7
55.93515	0.4
56.05042	0.5
57.03450	0.7
57.07081	1.6
65.26520	0.3
67.05514	2.2
69.07072	20.0
70.06571	0.4
70.95872	4.3
72.93804	1.7
73.06540	0.4
78.07176	0.4
79.05492	3.5
81.07064	5.1
83.04981	1.6
86.06068	0.7
88.96923	0.6
90.10104	0.4
90.94817	0.7
93.07049	8.4
95.08611	4.3
95.35629	0.4
97.02884	0.5
97.06522	4.4
97.10170	10.1
101.06045	0.6
111.11710	1.9
111.98484	6.1
113.96461	0.5
115.11226	0.7
121.10144	8.2
129.99518	2.0
132.04495	0.4
132.95840	12.1
138.12801	2.0
139.11185	5.5
146.06029	1.8
146.35414	0.4
147.96391	0.4
150.96895	16.0
155.97443	4.2
156.13840	100.0
173.98491	4.8
174.05400	0.7
174.07751	0.8
174.14890	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	174.1489
Annotation	9-Aminononanoic acid
Peak:m/z	Relative Intensity
52.73355	0.9
55.01868	1.8
55.05520	29.2
57.03437	1.8
57.07086	10.2
58.06637	1.0
60.04520	1.5
60.24346	0.8
67.05511	15.1
69.03432	2.3
69.07074	100.0
70.06584	0.9
70.95872	11.3
71.04987	4.1
71.08631	6.1
72.04499	3.2
72.08162	2.3
72.93789	4.3
73.06559	4.7
79.05502	15.1
81.07063	39.4
81.07537	1.3
83.04985	13.3
83.08607	1.9
84.04519	0.9
84.08194	1.2
86.06076	14.2
88.96893	1.0
89.94389	0.9
90.94825	1.5
93.07047	42.9
95.08614	27.0
97.06536	28.7
97.07168	0.9
97.10172	69.0
100.07618	18.4
101.06001	1.5
105.07043	2.1
111.11708	18.2
111.98484	17.1
113.96432	1.2
114.09175	6.4
114.12794	7.8
120.43305	0.9
121.10146	62.7
128.03465	2.1
129.99538	5.9
131.97404	1.4
132.95848	25.1
139.11185	84.6
146.05991	2.3
150.96893	39.0
154.23001	1.1
155.97415	7.7
156.13847	18.5
156.15056	1.5
157.12248	2.0
168.97946	1.1
173.98500	12.3
174.04019	1.7
174.05440	4.0
174.07716	1.9
174.13646	1.7
174.14980	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	174.1489
Annotation	9-Aminononanoic acid
Peak:m/z	Relative Intensity
52.56533	0.4
55.01883	0.7
55.05524	4.3
56.05056	0.8
57.03432	0.5
57.07078	0.8
64.29699	0.5
67.05508	0.8
69.07072	17.8
69.19753	0.4
70.95862	1.9
72.93773	0.5
79.05505	3.3
81.07067	4.9
83.04976	3.0
87.04472	0.7
93.07040	8.4
95.08601	5.8
97.06549	4.2
97.10172	9.1
102.19614	0.4
102.38138	0.5
111.11738	1.2
111.98486	4.1
115.11153	0.4
121.10139	8.2
129.99545	0.9
132.85365	0.5
132.95842	7.2
138.12801	2.0
139.11182	5.0
150.96889	6.8
155.97433	2.0
156.13846	100.0
173.98529	2.2
174.06685	1.7
174.14900	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	174.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05532	2.7
55.08092	0.5
56.05045	20.1
57.03464	0.9
58.06628	1.8
60.04537	2.7
62.06097	16.0
67.05511	4.5
68.05032	0.6
69.07074	6.2
70.06604	0.7
70.95866	7.2
71.08662	0.8
71.32585	0.5
72.04523	12.2
72.93810	3.0
73.02907	0.5
74.06099	2.8
76.04768	0.5
76.05115	4.3
82.06612	0.8
83.05022	0.5
83.07336	0.5
83.08640	0.5
83.86505	0.5
85.05287	0.8
86.06076	2.3
88.07657	2.1
88.96913	1.8
90.94844	1.0
93.07054	1.0
95.08607	12.3
96.05654	0.7
97.02910	0.6
99.08124	0.6
100.07627	4.1
111.98471	11.4
112.11266	1.0
113.96424	0.9
114.05533	0.7
114.09165	0.9
126.12812	0.6
128.10748	0.6
128.14339	3.4
129.99515	4.1
130.12317	0.7
131.97469	1.0
132.06560	0.7
132.95844	19.8
138.12784	2.1
139.11195	0.6
146.05852	0.6
150.95674	1.0
150.96884	27.4
155.97438	9.1
156.13841	100.0
173.98485	9.0
174.05444	0.8
174.07736	0.8
174.12877	4.1
174.14890	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	174.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02129	0.4
57.07082	9.6
57.76168	0.5
58.06593	2.8
61.15224	0.5
62.05791	0.8
62.06094	13.2
62.46924	0.5
71.08633	10.4
74.74151	0.5
85.49844	0.6
99.33339	0.6
99.37234	0.6
102.88430	0.6
150.96805	0.7
156.17477	12.9
174.18524	100.0
180.14047	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02129	0.4
57.07082	9.6
57.76168	0.5
58.06593	2.8
61.15224	0.5
62.05791	0.8
62.06094	13.2
62.46924	0.5
71.08633	10.4
74.74151	0.5
85.49844	0.6
99.33339	0.6
99.37234	0.6
102.88430	0.6
150.96805	0.7
156.17477	12.9
174.18524	100.0
180.14047	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00945	0.5
54.58359	0.5
57.07080	11.5
58.06590	2.3
58.51029	0.5
62.06094	12.5
71.08632	13.0
71.69191	0.5
93.51852	0.6
150.96867	0.8
156.17487	13.4
169.00716	0.7
174.18523	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.06
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32618	0.5
55.01873	4.4
57.03448	11.4
61.02917	3.0
67.05502	0.8
67.15084	0.6
69.03437	100.0
71.01346	1.4
75.06481	0.8
81.07072	1.7
81.31596	0.7
85.02905	9.9
87.04453	4.5
87.59649	0.6
91.05476	5.1
93.07043	0.8
97.02899	67.1
100.11872	0.7
105.07029	9.6
115.03931	21.2
119.08578	8.0
129.06998	0.8
131.08588	4.0
133.05005	0.8
133.10121	4.1
147.11685	20.7
157.04977	1.7
157.10143	0.9
175.06023	56.3
175.11174	12.4
175.14803	8.6
190.01295	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	175.06
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17153	0.5
51.85137	0.5
53.03947	0.5
55.01887	4.7
57.03432	1.3
58.85741	0.5
69.03427	7.7
71.01348	1.3
73.02904	2.6
81.07049	0.8
85.02908	100.0
87.04453	0.6
91.05462	2.5
93.07018	0.7
97.02891	21.4
105.07021	2.9
105.52167	0.7
115.03932	26.2
117.06983	0.6
119.08574	6.9
127.03908	3.2
131.08582	1.0
133.06480	0.7
133.10141	6.2
139.15738	0.6
147.11688	5.5
157.04970	4.9
157.10098	0.9
175.06030	2.8
175.11162	7.0
175.14825	10.2
193.79428	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	175.06
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.0
55.01864	2.1
55.35282	0.4
57.03439	2.4
58.82246	0.4
60.64291	0.4
61.02915	0.6
65.18827	0.3
65.94711	0.4
69.03438	12.6
71.01359	1.9
73.02923	4.2
74.88926	0.3
80.77595	0.4
83.92827	0.4
85.02911	100.0
87.04465	0.5
91.05495	0.5
97.02898	35.4
102.11413	0.4
115.03931	35.1
119.08577	0.7
123.12236	0.4
126.86509	0.5
127.03919	4.9
133.10088	0.6
139.00780	0.5
147.11726	0.7
157.04977	6.8
159.99506	0.4
175.06096	0.9
175.11176	1.7
175.14842	2.3
177.18584	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	175.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01780	0.3
52.86825	0.3
69.03448	0.5
69.42025	0.4
70.44802	0.4
79.05494	0.4
91.05482	8.8
104.06237	0.9
105.07023	1.8
107.04945	2.7
115.05452	12.2
116.06207	0.6
117.07027	8.3
119.04962	0.5
119.08585	16.2
128.06203	4.0
129.07007	6.3
131.04855	0.5
132.05717	13.5
133.10112	3.0
134.39453	0.4
143.04953	5.9
144.05713	3.3
145.06465	2.5
146.07419	0.4
147.08054	20.2
160.05194	34.1
168.83986	0.4
173.71660	0.4
175.07545	100.0
175.14818	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	175.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94640	0.4
55.01867	0.9
60.05659	0.4
69.03435	1.8
69.07053	0.9
70.06583	0.7
79.05505	0.7
81.07070	0.5
83.95629	0.4
91.05482	25.4
93.00858	0.4
93.06985	0.6
97.10168	0.5
103.05462	1.0
104.06236	3.0
105.07037	3.8
107.04957	6.1
115.05452	13.1
115.06236	0.5
116.06225	0.7
117.07024	12.8
117.92475	0.4
119.04951	4.4
119.08580	42.7
127.65350	0.5
128.06218	8.6
129.07005	13.0
131.04913	0.6
131.08554	0.6
132.05713	28.4
133.10109	3.8
143.04930	3.8
144.05681	0.7
145.06506	4.3
146.07262	0.8
147.04396	2.3
147.08047	40.2
147.11668	0.6
155.05998	0.9
157.06479	0.6
157.07666	1.1
160.05188	31.9
175.03947	2.2
175.07536	100.0
175.11177	3.4
175.14764	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	175.1116
Annotation	Capillanol
Peak:m/z	Relative Intensity
55.01875	2.4
67.05499	5.1
69.07055	1.0
76.04555	0.9
79.05491	5.5
81.03412	5.5
81.07069	9.5
85.02915	10.1
91.05482	18.6
93.07038	4.6
95.04967	4.5
97.02885	2.4
105.07030	15.5
107.04953	5.7
115.03905	1.7
115.05440	1.9
117.07049	1.1
119.08583	16.1
121.06485	1.6
129.07008	18.2
131.08592	12.5
133.06477	7.6
133.10117	6.6
142.07803	7.1
143.05446	1.1
147.08052	1.7
147.11685	9.7
152.05977	2.0
157.10114	29.4
175.11183	100.0
175.14742	6.9
183.21992	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	175.148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.1
55.94591	0.3
57.07082	0.7
60.05663	0.6
64.17365	0.4
66.22044	0.5
67.05500	0.8
67.46490	0.5
69.07064	10.1
70.06579	0.7
74.18413	0.4
79.05481	0.8
81.07054	5.6
83.08601	2.3
83.80452	0.5
91.05484	3.9
93.07040	2.6
95.05044	0.5
95.08614	4.7
102.09177	4.8
105.07030	11.5
107.08585	4.0
115.05448	3.6
115.55787	0.4
117.06975	1.0
119.08570	47.4
121.10131	0.8
129.07051	0.5
131.08565	0.9
132.05702	0.6
132.09265	0.4
133.10126	49.4
144.05708	0.9
145.10123	1.8
147.08026	1.0
147.11667	8.7
160.05186	6.5
160.12444	3.1
173.13243	1.9
175.07530	18.5
175.11400	2.4
175.14807	100.0
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
55.05521	4.1
57.07076	0.4
60.05635	0.4
65.23524	0.3
67.05499	0.4
69.06703	0.5
69.07075	14.5
70.06601	0.8
71.53143	0.3
79.05504	0.6
81.07064	3.1
83.04506	0.4
83.08624	2.6
88.45800	0.3
91.05486	3.3
93.07046	0.8
95.08601	3.7
97.02924	0.4
105.06340	0.5
105.07038	12.6
107.08590	4.1
109.24908	0.4
116.07079	0.7
117.07040	0.5
119.08578	56.9
121.10162	1.4
125.27632	0.4
129.52478	0.4
131.08554	0.8
133.10129	55.3
135.11673	0.6
145.10100	2.7
146.10971	0.5
147.11676	9.8
155.53293	0.5
160.05260	0.4
160.12546	3.2
173.13249	2.3
175.07458	0.7
175.14815	100.0
176.56769	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	175.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67130	0.7
55.05514	5.1
57.03455	0.8
59.04993	2.0
60.05646	5.6
62.55263	0.8
69.03415	3.4
69.07078	20.7
70.06596	11.5
70.76991	0.7
72.08149	1.6
73.73611	0.8
75.60255	0.8
77.25964	0.9
79.05518	1.1
81.07046	1.2
83.08623	4.4
85.02849	1.0
87.04459	1.2
91.05482	4.5
93.07043	1.6
95.08595	3.7
97.02915	10.5
97.06571	0.8
99.00771	1.1
105.07028	14.2
107.08619	3.7
113.02397	0.9
116.07087	5.6
117.07004	1.7
119.08584	64.9
121.10130	1.4
125.02340	3.3
130.06531	3.4
130.09808	1.7
131.08562	1.3
132.04414	1.0
132.95821	1.1
133.10132	55.0
145.10127	1.5
147.06313	1.0
147.08051	3.4
147.09143	1.8
147.11693	8.7
150.96906	1.6
151.97066	0.9
157.07590	0.9
158.05997	2.2
158.09222	1.2
160.02188	0.9
160.05214	1.1
160.08804	2.0
160.12500	1.8
173.13373	1.3
174.98634	1.0
175.07373	7.2
175.08737	3.8
175.11003	11.2
175.14825	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	175.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87456	0.3
55.05515	4.0
60.05632	0.6
67.05495	1.5
69.07072	7.0
69.34822	0.3
70.06591	1.9
79.05479	2.1
81.07061	10.4
81.96784	0.4
83.08604	2.4
84.53500	0.4
84.66326	0.4
91.05474	7.0
93.07042	3.2
95.08603	7.3
105.07033	26.2
107.08588	6.0
109.10154	0.4
109.78509	0.5
117.07006	0.9
119.08575	51.1
121.10123	0.8
124.52226	0.4
131.08601	2.8
131.71608	0.4
132.05705	0.5
132.95862	0.5
133.10129	38.3
145.10126	0.8
146.10919	1.9
147.07980	0.9
147.11681	13.0
150.96873	0.5
160.05136	1.8
160.12465	1.0
170.86150	0.4
173.13237	0.7
175.03888	0.6
175.07529	4.7
175.14812	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	175.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38409	0.3
55.05519	4.2
68.62965	0.4
69.07067	13.6
81.07054	4.1
83.08624	3.7
84.25029	0.4
84.69412	0.4
91.05476	2.8
92.21091	0.6
93.07033	1.0
95.08596	3.4
104.69635	0.4
105.07043	12.2
107.08620	3.4
117.06931	0.6
119.08575	53.2
121.10148	1.5
125.15647	0.4
131.08560	0.7
133.10127	48.9
134.10976	0.4
145.10083	0.9
146.10867	0.4
147.11694	7.1
148.28525	0.4
150.40543	0.4
160.05185	1.8
160.12459	2.0
173.13264	2.3
175.07530	5.2
175.14812	100.0
189.73076	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	175.148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	3.8
61.80221	0.4
69.06706	0.5
69.07072	13.0
79.38975	0.4
81.07067	4.5
81.07471	0.6
83.08655	3.6
83.09062	0.6
91.05484	2.7
93.07034	2.1
95.08617	5.0
103.63880	0.4
105.07034	12.7
107.08596	4.2
109.72281	0.5
119.08578	58.0
121.10146	0.9
131.08530	0.8
133.10130	51.6
145.10078	2.4
147.11684	9.2
160.12442	2.3
173.13327	1.2
175.14816	100.0
181.21596	0.6
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	2-Amino-5-chloromuconate 6-semialdehyde
Peak:m/z	Relative Intensity
55.24041	0.8
55.37224	0.9
60.05648	0.8
118.52618	0.9
132.02119	100.0
151.49786	0.9
176.01091	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	177.007
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29289	0.2
56.96574	4.4
58.94995	0.2
68.48279	0.2
68.87738	0.2
69.55318	0.2
71.95279	0.3
92.51285	0.2
98.97588	100.0
99.97918	4.1
101.19265	0.2
113.31570	0.2
116.98623	63.4
117.98957	2.5
121.01736	0.3
131.01871	0.3
134.99664	23.4
135.24640	0.2
136.00005	1.4
137.25085	0.2
140.00255	0.3
153.00706	2.8
158.01332	0.4
177.00784	1.5
177.04195	0.5
192.67320	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	Herniarin
Peak:m/z	Relative Intensity
50.06273	0.4
51.77238	0.4
56.05044	48.8
68.97221	0.4
72.04520	14.3
74.02427	1.0
74.06069	3.0
76.05130	8.6
89.03922	12.8
89.07157	0.7
91.05497	1.0
92.17791	0.4
93.07043	0.5
102.05548	7.1
106.04187	0.6
107.04980	0.7
117.03377	47.5
117.06616	2.5
118.05020	9.8
120.06594	0.6
121.06514	0.8
121.10066	0.6
131.06929	0.5
131.08221	0.9
132.48340	0.4
134.03645	3.4
135.04391	3.8
135.07658	5.1
136.06230	0.6
145.02849	100.0
149.05978	21.1
160.07149	2.0
162.03107	2.4
163.03934	2.2
163.88965	0.4
177.05466	32.2
177.08649	7.4
177.12813	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	177.0546
Annotation	Herniarin
Peak:m/z	Relative Intensity
53.44032	0.4
56.05045	39.4
58.04088	3.6
70.12804	0.5
72.04523	26.6
74.02457	5.4
74.06078	7.2
75.46486	0.5
76.05131	86.1
76.89024	0.5
81.45288	0.5
84.04485	1.0
89.03926	10.8
89.07153	1.0
91.05488	1.2
102.05547	15.4
103.05460	0.5
103.54282	0.5
106.04192	0.6
113.63366	0.5
114.06656	2.6
117.03383	45.9
117.06611	2.8
118.05019	33.7
120.06581	5.6
131.08125	0.7
131.09259	0.6
132.07697	0.5
134.03642	4.4
135.04404	3.6
135.07671	6.0
139.85233	0.5
145.02850	100.0
149.05984	20.0
149.06842	0.5
159.08777	1.1
160.07167	29.1
162.03128	0.7
163.03816	0.7
177.03896	0.9
177.05466	25.8
177.08655	2.5
177.09900	14.6
188.11208	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	Herniarin
Peak:m/z	Relative Intensity
51.62753	0.3
56.05050	7.8
57.03453	0.9
57.07087	1.9
58.77013	0.3
61.04065	0.4
63.02380	0.5
67.05505	0.6
68.92979	0.3
71.04997	0.8
72.04517	4.9
73.70557	0.4
74.02481	0.4
74.06087	1.5
76.05135	14.6
79.05507	0.5
81.03458	0.6
81.07067	6.5
85.02890	0.4
85.06561	0.6
89.03925	12.0
89.92880	0.3
91.05489	2.5
93.07072	1.9
95.04990	0.6
95.08624	6.1
98.97613	2.1
99.08080	3.0
102.05545	2.4
103.05495	1.6
105.07031	0.5
106.04187	1.7
107.08599	0.6
113.09641	1.5
116.71143	0.3
116.98611	1.7
117.03384	48.0
118.05006	6.7
119.04901	0.4
121.06504	1.8
121.10088	0.8
123.08095	0.5
124.05186	0.4
131.01923	0.6
131.04898	0.5
131.10692	1.8
133.06586	0.4
134.03648	4.1
134.99687	0.6
135.04436	5.6
135.07872	0.8
136.06194	12.0
145.02853	100.0
149.05980	24.4
149.09566	0.6
159.11679	0.7
160.07179	3.7
162.03104	2.5
163.03899	3.4
175.07993	0.4
177.05458	32.0
177.08966	2.7
177.12712	1.5
186.05609	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	177.087
Annotation	D-Alanyl-D-serine
Peak:m/z	Relative Intensity
50.71698	0.3
52.97688	0.3
56.05043	100.0
56.90789	0.3
58.04094	2.1
60.04534	0.8
61.04800	0.3
68.31866	0.3
72.04519	32.3
74.02443	3.3
74.06079	7.3
76.05129	33.0
78.21488	0.4
84.04517	1.5
89.07159	1.7
102.05546	15.6
102.06185	0.7
114.05541	0.8
117.06597	5.6
118.05014	27.2
118.51215	0.4
120.05816	0.4
120.06532	3.0
131.08180	2.6
131.09296	0.7
133.11267	0.4
135.07661	12.2
135.08659	0.6
157.00334	0.4
160.07158	9.6
177.08575	11.9
177.10201	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	177.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67533	0.2
56.05047	100.0
58.04100	0.7
58.93762	0.2
60.04533	0.5
61.69958	0.3
63.86709	0.3
68.14668	0.3
72.04523	29.7
73.93778	0.3
74.02450	3.3
74.06081	6.2
74.12355	0.4
74.49025	0.3
75.92964	0.3
76.05133	30.4
79.14140	0.3
84.04522	1.4
89.07193	1.9
90.79859	0.3
90.82999	0.3
98.57898	0.3
102.05550	18.1
114.05573	1.8
114.06701	0.4
117.06608	4.9
118.05021	23.7
120.06602	3.1
127.30991	0.3
131.08212	3.7
131.09198	0.5
135.07660	12.9
155.32109	0.3
159.08835	0.4
160.05923	0.6
160.07170	10.4
177.08755	13.8
177.09950	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	177.087
Annotation	D-Alanyl-D-serine
Peak:m/z	Relative Intensity
56.05046	100.0
58.04097	1.5
67.95573	0.3
72.04520	31.8
73.28749	0.3
74.02441	3.3
74.06083	6.8
76.04003	0.4
76.05131	27.3
84.04520	1.8
89.07172	2.1
102.05550	15.2
114.05554	2.0
117.06612	5.0
118.05018	24.8
120.06575	2.3
121.03378	0.4
131.08197	3.3
133.02504	1.7
135.07661	14.0
159.08838	0.5
160.07170	11.0
177.08601	10.7
177.09956	3.2
183.07187	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	177.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44832	0.6
55.22826	0.5
56.05045	82.8
58.04087	3.6
59.02486	0.7
60.05622	0.7
66.08137	0.6
69.75085	0.5
71.60625	0.6
72.04520	41.8
74.02449	6.8
74.06087	10.1
76.05133	100.0
84.04517	1.4
89.07167	0.7
102.05553	22.3
114.05534	0.8
114.06655	1.5
116.08231	1.1
117.06622	5.0
118.05018	49.1
120.06591	7.6
131.08179	3.2
131.09195	0.8
132.07639	0.9
135.07645	10.1
137.73239	0.6
159.08755	3.1
160.07170	33.5
177.08649	8.5
177.09854	16.3
177.66089	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61647	0.3
55.01881	0.5
56.05042	37.8
57.81834	0.3
58.04095	4.9
59.02515	0.4
60.05658	0.6
65.19643	0.3
67.05512	4.0
68.09209	0.3
72.04518	30.2
74.02444	5.7
74.06081	10.6
76.05128	100.0
79.05497	6.5
81.07056	6.3
83.04984	0.5
83.08628	1.6
84.04499	0.8
85.02904	0.5
89.03902	0.6
89.07147	0.5
90.09180	0.4
91.05471	6.1
93.07038	15.7
95.04982	2.2
95.08603	0.6
97.06528	1.9
99.08093	1.5
102.05543	16.8
105.07051	1.5
107.08576	0.8
109.06467	0.5
114.06667	1.4
117.03390	2.4
117.06544	0.6
117.07054	2.3
118.05011	39.2
120.06573	5.6
121.06464	0.4
121.10144	0.9
131.08527	3.2
131.09344	1.5
132.07700	0.8
133.10097	4.0
135.07626	6.2
135.11726	1.5
136.06238	1.5
145.02829	5.8
149.06017	0.7
149.13258	1.9
159.08795	1.8
159.11674	12.5
160.07164	32.1
177.05453	2.9
177.08693	2.9
177.09937	16.8
177.12720	15.3
185.83844	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	177.0984
Annotation	Canavanine
Peak:m/z	Relative Intensity
53.43258	0.2
56.05046	5.4
56.07878	0.2
58.04087	4.3
59.04879	0.3
60.05669	1.3
65.36900	0.3
72.04520	20.6
73.57242	0.3
74.02443	4.1
74.06079	7.0
76.05133	100.0
78.91668	0.3
84.04511	0.7
95.79072	0.3
102.05550	13.7
106.94394	0.3
114.06633	1.6
116.08225	0.6
118.05016	31.9
120.06592	5.7
124.45551	0.3
131.09273	2.4
132.07689	0.6
134.08577	0.3
135.07652	1.7
142.67041	0.3
145.00157	0.3
148.82776	0.3
156.85304	0.3
159.08772	2.9
160.07170	31.8
161.68539	0.3
177.09839	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	177.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04781	0.5
56.05045	13.6
56.96577	0.5
58.04086	1.3
59.02469	0.3
60.04520	0.5
61.04049	0.4
61.71198	0.3
70.06573	0.5
72.04518	10.2
74.02437	1.7
74.06078	3.2
76.05132	32.4
80.05022	20.7
80.05379	0.3
84.04513	0.7
89.83624	0.3
91.05508	0.3
95.08608	0.3
98.06059	7.3
98.97583	5.4
102.05552	6.1
116.98639	2.9
117.03377	2.3
117.06619	0.5
118.05008	13.5
120.06569	1.8
120.08116	3.4
130.06581	0.4
131.01910	1.4
131.08214	0.5
131.09241	0.4
132.08110	3.0
134.99649	2.0
135.04399	0.4
135.07652	2.1
136.06194	1.6
143.65834	0.3
145.02856	4.4
146.06062	2.3
149.05978	1.5
149.07101	0.3
154.03436	0.6
159.09152	4.8
159.43626	0.4
160.07159	10.1
177.05412	1.9
177.10214	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	177.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79724	0.7
53.00759	0.8
55.01878	2.0
56.05043	14.8
57.03413	0.8
58.77475	0.7
64.72725	0.8
67.05516	9.2
69.07063	2.1
72.04511	9.0
74.06069	2.0
76.05125	19.8
77.91139	0.8
79.05501	14.6
81.03410	3.9
81.07065	18.3
83.04994	1.3
91.05476	14.7
93.06481	1.4
93.07047	30.4
95.04974	4.1
95.08606	4.6
96.80353	0.9
97.06513	3.8
102.05582	7.0
105.07053	8.6
107.04933	1.3
107.08592	10.9
109.06513	1.6
113.21655	0.9
117.07048	12.7
118.04988	7.8
119.08574	4.1
120.06589	0.9
121.06497	1.2
121.10130	6.1
131.08583	16.4
133.10138	26.0
135.07986	4.9
135.11708	7.3
149.09602	1.9
149.13278	15.3
159.10344	1.3
159.11685	42.6
160.07161	5.4
177.12743	100.0
177.29819	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	177.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06000	0.6
55.01862	1.5
55.05502	1.1
56.04780	1.1
56.05044	24.9
57.03434	0.8
58.04081	3.6
58.93254	0.7
59.19382	0.6
61.59224	0.6
62.36448	0.7
67.05187	0.9
67.05513	18.2
69.07061	4.9
71.29202	0.9
72.04152	1.0
72.04520	19.3
74.02431	1.0
74.06071	5.5
74.41882	0.7
76.05130	60.5
76.39222	0.7
79.05499	20.6
80.73715	0.7
81.06616	1.5
81.07061	29.8
83.04980	1.7
83.08621	6.2
84.04492	1.2
91.05482	21.8
93.07045	59.6
95.04969	8.0
95.08603	7.1
97.06535	7.7
99.08084	2.9
102.05537	10.3
105.04538	1.1
105.07036	9.2
106.77239	0.8
107.04969	1.5
107.08614	9.4
109.06517	3.7
111.08076	1.9
117.07036	17.1
118.05028	24.6
118.80552	0.6
119.08552	3.0
120.06557	4.3
121.06528	1.7
121.10125	4.5
126.16922	0.7
131.08560	20.0
131.09435	1.1
133.10133	24.8
135.07883	4.4
135.11688	5.9
136.06189	1.3
145.02866	4.0
149.05843	0.9
149.09656	1.2
149.13252	15.0
152.41621	0.8
159.08806	1.1
159.11690	50.8
160.07167	22.9
177.05440	1.4
177.09828	8.3
177.12743	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12506	0.9
51.53204	0.8
52.87398	0.8
53.41848	0.9
55.05500	5.2
56.04779	1.6
56.05043	43.5
69.07064	11.1
72.04523	12.5
74.06071	1.3
75.73344	0.9
76.05118	7.1
79.05492	2.7
80.32229	1.0
81.07063	6.9
83.08640	7.8
83.53988	0.9
89.03917	11.2
91.05469	2.5
93.07040	11.0
95.08603	22.3
97.10187	1.8
102.05535	7.4
103.05476	1.6
105.07053	2.1
107.07923	2.1
107.08596	42.9
109.10145	6.1
117.03375	47.2
117.06653	2.1
118.05021	11.0
121.06535	1.2
121.10139	65.2
134.03642	2.8
135.04430	2.0
135.07683	6.3
135.11668	14.2
136.06107	1.9
145.02853	100.0
149.05963	19.9
149.13245	6.0
160.07155	1.5
162.03131	4.9
163.03958	1.5
177.05464	38.2
177.08759	7.9
177.12781	1.4
177.16380	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	177.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.6
55.05515	5.1
55.33459	0.6
57.07093	1.0
67.05497	3.2
69.06705	0.8
69.07074	20.0
72.73006	0.6
76.05129	1.1
79.05491	6.3
81.07052	12.1
83.08615	13.7
89.03912	7.0
91.05463	4.2
93.07040	21.2
95.04932	0.8
95.08604	37.1
97.10148	3.4
105.07021	1.4
107.08595	62.9
109.10171	13.2
117.03374	22.8
121.10136	100.0
122.94698	0.7
131.08549	1.5
134.03644	0.9
135.04385	1.2
135.11676	16.2
145.02849	51.8
149.05989	9.4
149.13240	8.1
177.05476	15.8
177.12941	2.1
177.16374	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	179.1429
Annotation	4-n-Hexylphenol
Peak:m/z	Relative Intensity
52.76989	2.7
53.38890	2.7
55.05515	8.8
67.05510	65.2
69.07055	8.9
75.59169	3.6
75.87215	3.6
79.05501	48.0
81.03432	16.5
81.07066	100.0
83.04987	27.5
83.08616	17.9
91.05495	39.6
93.07056	42.2
93.19521	3.7
95.04929	4.8
95.08614	67.0
97.06526	35.8
105.07023	22.8
107.08597	9.1
109.10165	21.2
111.08111	13.3
119.08579	40.2
121.10134	5.9
123.08091	3.9
124.83082	3.9
132.88126	3.8
133.10149	31.5
135.11679	8.0
146.71490	3.9
149.43411	3.7
161.13242	22.8
176.56551	3.6
179.14302	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	179.1429
Annotation	4-n-Hexylphenol
Peak:m/z	Relative Intensity
51.86169	3.3
55.05506	19.5
55.52952	3.2
57.00397	3.5
57.83836	3.4
60.67616	3.5
61.54029	3.6
67.05508	77.7
69.07076	7.9
74.55741	4.4
76.21012	3.7
79.05502	40.1
79.66621	3.3
81.03426	14.8
81.07062	73.0
81.88948	4.1
83.04997	29.3
83.08615	10.3
91.05474	38.6
93.07045	40.6
95.04955	5.9
95.06105	6.7
95.08606	61.9
97.06525	30.1
102.43712	4.5
104.26302	4.6
105.07040	21.5
109.06516	5.4
109.10180	8.0
111.08058	8.2
119.08572	23.4
133.10143	27.1
135.11671	6.2
137.08221	32.5
138.10216	6.9
161.13257	22.4
167.51932	4.1
179.14320	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0879
Annotation	D-(+)-Glucosamine
Peak:m/z	Relative Intensity
50.91457	0.2
54.00951	0.2
55.02977	0.2
55.87114	0.2
56.12734	0.2
56.96581	1.9
60.04523	0.3
61.02924	0.3
62.27388	0.2
67.40396	0.2
69.03439	0.3
71.06124	0.5
85.02919	1.9
86.71812	0.2
97.02885	0.4
97.99165	0.3
110.03530	6.2
127.03909	0.4
128.04604	1.0
134.06075	0.3
135.03033	1.5
137.08212	2.8
140.13310	0.2
145.04999	0.3
152.07002	0.4
153.04056	2.6
162.03346	0.5
162.07726	1.5
180.08794	100.0
182.53781	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	180.1018
Annotation	(-)-Salsolinol
Peak:m/z	Relative Intensity
55.05528	0.1
56.96573	6.8
68.53123	0.1
69.03430	0.2
72.04501	1.0
79.05509	0.1
83.08698	0.1
85.02914	0.2
91.05473	2.3
93.07039	0.8
95.04967	0.3
97.99170	1.5
103.05476	3.0
105.03414	0.6
115.97854	0.1
116.00202	0.7
116.03313	0.2
119.04957	0.8
120.08103	100.0
121.06502	5.1
131.04887	1.3
134.05983	0.2
135.04411	3.0
135.08101	0.3
137.05931	0.2
150.09113	1.5
151.41055	0.1
162.03418	0.7
162.05508	0.2
162.09122	0.5
163.07523	1.3
164.68646	0.1
180.04533	1.0
180.06532	0.5
180.10168	8.0
180.13824	0.2
185.83246	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	180.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96577	3.8
84.74106	0.2
91.05495	0.4
93.07101	0.3
97.99194	0.7
102.74796	0.2
103.05479	2.7
108.48712	0.2
116.00214	0.3
120.08108	100.0
121.06500	4.9
131.04947	1.6
135.08121	0.2
146.46069	0.2
163.07545	1.0
180.10168	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	180.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67776	0.3
56.96574	6.7
58.01732	0.3
68.14084	0.5
70.21828	0.4
71.49947	0.4
72.04520	17.5
77.03947	0.4
79.05502	0.9
84.14123	0.4
85.02894	1.6
87.68575	0.4
89.03904	2.1
89.94291	0.4
91.05485	31.8
92.21007	0.5
97.99176	1.9
105.03400	13.2
107.04954	3.7
115.24500	0.4
116.00243	0.5
117.07042	0.7
119.04945	15.7
120.04468	0.5
134.05997	0.9
135.04424	58.8
145.06523	0.7
150.09143	25.7
152.07069	1.0
162.05525	0.7
162.09128	5.3
163.07516	3.5
180.04720	1.6
180.10185	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	180.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05528	0.1
56.96573	6.8
68.53123	0.1
69.03430	0.2
72.04501	1.0
79.05509	0.1
83.08698	0.1
85.02914	0.2
91.05473	2.3
93.07039	0.8
95.04967	0.3
97.99170	1.5
103.05476	3.0
105.03414	0.6
115.97854	0.1
116.00202	0.7
116.03313	0.2
119.04957	0.8
120.08103	100.0
121.06502	5.1
131.04887	1.3
134.05983	0.2
135.04411	3.0
135.08101	0.3
137.05931	0.2
150.09113	1.5
151.41055	0.1
162.03418	0.7
162.05508	0.2
162.09122	0.5
163.07523	1.3
164.68646	0.1
180.04533	1.0
180.06532	0.5
180.10168	8.0
180.13824	0.2
185.83246	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	181.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83640	0.5
55.01881	0.7
55.05516	0.7
56.96579	8.2
57.06833	0.6
57.07085	14.8
59.05002	1.1
67.05518	1.0
67.64228	0.6
69.03465	0.6
69.07062	1.3
71.32874	0.6
75.70384	0.6
79.05483	4.3
79.70717	0.6
81.03406	2.5
81.07043	4.0
83.04987	25.1
90.64941	0.6
91.05462	0.8
93.07045	7.5
95.04968	8.7
95.08604	2.9
97.06536	13.0
98.97591	100.0
103.86832	0.6
105.07014	3.0
107.04940	1.0
107.08610	7.7
109.06602	0.6
116.97245	2.0
116.98624	82.2
117.07046	0.9
119.08581	2.8
121.06489	2.8
121.10141	21.7
121.33964	0.6
123.08049	1.1
125.05994	62.8
134.99667	42.8
135.04480	0.8
135.06824	1.2
135.08055	0.7
135.11714	8.1
136.07201	1.4
140.00212	1.5
145.10138	7.7
153.00723	5.7
158.01233	3.2
163.11180	79.2
181.02852	1.1
181.04889	0.8
181.10603	1.4
181.12218	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	182.0812
Annotation	Tyrosine
Peak:m/z	Relative Intensity
51.02392	0.2
56.96571	0.3
58.56854	0.2
62.10709	0.2
65.03921	0.2
72.93799	0.3
75.59557	0.2
78.95282	0.5
85.02927	0.3
86.09677	0.2
86.25491	0.2
87.04469	0.5
91.05479	11.9
93.07032	0.4
95.04969	5.7
95.06081	1.3
96.05554	0.2
98.97580	0.9
103.05473	1.0
107.04941	0.4
109.06496	0.5
112.08731	1.0
118.06578	0.2
119.04939	29.2
119.97880	0.5
121.06506	1.4
122.07131	1.2
123.04424	43.0
128.96367	0.3
132.05960	0.3
136.07576	100.0
137.05998	0.4
140.95343	0.3
147.04404	17.0
158.16083	0.2
158.97371	1.0
164.05742	0.9
165.05466	28.6
178.69350	0.2
182.06627	0.5
182.08003	4.4
182.09126	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44587	0.5
56.25443	0.4
56.96564	0.5
57.10292	0.4
64.54446	0.5
69.03438	0.5
69.57927	0.4
78.95271	3.5
83.67299	0.5
84.05349	0.5
90.96761	0.6
91.05480	7.0
95.04971	2.7
96.04497	0.7
98.97585	2.1
99.97906	0.6
102.71304	0.6
105.82590	0.4
108.04478	6.6
108.97805	1.0
112.05067	1.2
116.98619	2.8
117.98969	0.8
118.06472	0.5
119.01879	1.0
119.04937	16.1
119.97884	3.6
120.08138	0.5
121.06540	0.5
122.06015	0.6
122.94188	0.8
123.04433	27.2
125.04774	2.5
130.07388	0.5
132.04420	5.3
133.03972	0.9
134.99672	0.9
136.07584	61.5
136.61127	0.5
137.00867	2.1
137.06036	0.7
138.05516	4.9
138.06425	1.1
140.07066	17.5
140.95280	2.6
141.05241	0.6
145.63899	0.5
147.04401	10.5
151.05032	0.6
154.08614	2.1
158.96347	1.6
158.97443	0.8
159.05058	2.6
163.96849	2.5
164.07080	7.3
165.05423	14.2
165.06618	42.3
167.06902	16.5
177.06073	0.7
181.97937	2.2
182.09274	100.0
182.11835	2.7
196.50656	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	182.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62721	0.3
52.82097	0.3
53.37456	0.3
60.23431	0.3
73.09611	0.3
75.91128	0.3
80.05026	0.5
81.07079	0.4
84.05643	0.8
86.38982	0.4
94.06573	0.4
94.81068	0.4
95.08585	0.4
97.06385	2.4
98.97571	2.5
99.97924	0.5
108.83085	0.4
111.77260	0.4
116.98633	1.8
117.98937	0.5
119.08615	0.4
122.07122	0.7
122.09665	1.0
125.05864	3.5
126.06635	0.6
135.07932	0.5
136.00006	0.4
154.13376	4.5
164.11818	2.4
182.12889	100.0
198.12352	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17056	0.4
53.59410	0.3
56.73855	0.3
57.03413	0.4
67.05492	0.8
68.05011	0.5
71.04980	0.4
78.53273	0.3
81.03473	0.4
81.26241	0.4
82.06567	0.9
84.08128	0.6
87.04465	1.5
91.05507	0.6
92.04966	0.7
93.07005	0.5
94.06528	0.6
95.04951	1.9
95.08574	0.5
96.94449	0.4
97.06536	0.5
97.07642	1.9
98.98465	13.3
99.04435	0.6
100.97090	0.4
101.00853	2.6
109.07618	0.9
110.06044	1.7
110.13872	0.4
111.04371	0.5
118.96765	0.4
119.01919	12.0
119.06065	34.3
119.08492	0.5
120.08022	0.4
122.06055	0.5
123.04404	0.9
123.05502	0.4
123.06321	0.5
123.08052	1.7
123.09255	0.5
124.02456	2.0
124.04819	0.4
127.01595	3.3
133.02885	0.4
135.05481	0.6
137.02953	2.6
137.05951	1.7
137.07065	9.6
137.07994	0.9
137.09587	1.8
137.10722	1.6
137.73860	0.4
138.05551	0.6
138.07928	0.4
142.03505	29.1
147.05536	4.4
148.03906	4.5
148.06320	5.1
149.07109	31.1
150.05476	0.8
151.05869	10.1
155.04753	0.4
155.10638	0.5
160.04546	13.2
165.06589	100.0
166.07381	16.8
178.05614	2.0
183.07652	77.8
183.11163	5.6
201.36423	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	183.0779
Annotation	Triethyl phosphate
Peak:m/z	Relative Intensity
62.64892	0.4
71.26217	0.3
74.88393	0.4
98.98468	100.0
115.33871	0.3
116.99499	1.8
127.01562	27.1
155.04677	7.8
200.33664	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	183.0779
Annotation	Triethyl phosphate
Peak:m/z	Relative Intensity
53.56941	0.2
54.30007	0.2
58.89983	0.2
69.71421	0.2
71.61385	0.3
89.59402	0.3
95.95726	0.3
98.98468	100.0
116.99490	1.1
127.01563	27.9
132.40692	0.3
132.42450	0.2
145.02661	0.3
151.97633	0.3
155.04692	7.4
183.07838	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	183.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51977	0.9
53.03947	1.3
54.40583	1.0
55.01882	1.2
55.05526	16.2
57.03442	2.9
57.07079	2.2
59.65823	1.1
67.05507	27.4
69.07075	31.3
71.04663	1.1
71.05000	14.7
79.05515	10.8
81.07063	100.0
83.04971	2.6
83.08635	15.5
85.06552	16.7
91.05481	15.4
93.07042	13.5
95.04951	2.3
95.08612	30.7
97.06532	8.7
97.10199	1.7
98.98474	56.6
99.04468	2.3
99.08085	6.1
101.93956	1.3
105.07040	31.4
107.08594	17.8
109.06496	9.3
109.10153	2.9
111.08117	5.8
113.06030	3.0
119.08586	29.8
121.10144	46.5
123.08044	6.6
123.11708	77.8
127.01561	12.7
127.07538	5.2
127.56621	1.2
137.13290	2.7
143.85597	1.2
147.11690	80.7
155.04652	2.4
156.52333	1.3
165.12743	49.3
168.09337	6.6
174.17595	1.2
183.11674	25.8
183.13756	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	184.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
66.58454	1.5
79.06019	1.4
86.09712	2.5
101.00876	23.7
101.01382	1.4
102.01004	1.6
119.01914	100.0
120.01967	13.8
125.00034	2.9
129.69264	1.6
137.02968	25.9
142.03497	26.3
143.03635	29.7
146.34871	1.4
149.50616	1.9
158.01379	1.8
160.04604	8.2
161.03075	11.0
161.04695	15.6
167.70180	2.1
177.10074	1.6
179.03976	13.0
184.07448	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	184.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.2
64.36864	0.2
67.05502	0.5
68.05023	0.3
69.07083	0.4
70.06557	0.2
72.04524	0.3
72.08160	0.3
79.05495	1.6
79.95428	0.2
80.04990	0.3
81.07064	0.9
82.02965	0.3
82.06618	0.3
83.04983	0.3
86.09688	0.2
86.94628	0.2
89.18821	0.2
93.07040	1.7
95.08591	2.8
96.04485	1.1
96.08115	3.3
96.35030	0.2
96.99603	0.2
97.05264	0.3
101.00897	0.2
106.06487	0.3
107.07359	0.2
107.08591	0.4
108.08170	0.3
110.06034	6.0
110.09705	1.5
111.37897	0.2
119.01935	1.0
120.08104	1.2
121.06477	1.9
121.10141	1.1
122.09684	3.0
123.08058	1.3
124.07588	100.0
125.08370	0.4
137.90747	0.2
138.09140	26.4
139.07558	0.3
143.01866	0.7
148.07582	0.4
149.05933	1.4
149.09569	0.4
156.10251	0.7
161.02907	0.9
166.08626	20.5
167.07048	0.5
184.09691	42.0
184.14461	6.3
187.40030	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	184.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.3
56.45533	0.2
57.03451	0.3
57.04560	0.4
59.05001	1.3
67.05531	0.3
70.06621	0.4
82.06583	0.5
83.04910	0.4
84.05635	41.7
86.06079	0.3
86.09701	1.6
87.04475	0.4
94.04384	0.2
95.04951	1.0
96.04561	0.3
96.08101	0.5
98.98437	0.3
101.00908	1.2
101.06035	0.6
107.67754	0.3
110.03526	0.4
110.07159	0.5
111.07955	0.6
119.01912	6.0
120.02039	1.4
121.18719	0.3
124.03998	0.3
124.07584	5.7
125.02470	0.3
137.02977	1.3
138.05597	0.3
138.06642	0.4
138.09210	0.7
138.10251	7.1
138.12790	1.2
139.07518	0.5
142.03535	1.4
142.08644	1.1
143.00226	0.3
143.01942	1.8
143.03633	3.2
160.04601	0.3
161.02979	2.4
161.04732	1.4
166.05003	0.4
166.08612	1.0
166.09819	1.8
179.04028	0.3
184.10844	100.0
191.59581	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	184.1331
Annotation	Acetyltropine
Peak:m/z	Relative Intensity
55.05513	15.7
57.03460	3.4
57.07066	8.0
65.11713	2.1
65.69305	2.3
67.05508	13.7
69.03417	2.9
69.07071	50.8
71.08643	2.8
71.64513	2.2
74.32582	2.0
79.05499	24.7
81.07059	29.3
82.06594	3.4
83.04978	14.7
86.06049	13.5
93.07043	55.7
95.08623	22.1
97.06522	17.1
97.10162	41.8
100.07619	15.0
102.79040	2.3
107.08577	12.6
111.11725	14.8
114.09129	2.9
114.12821	9.3
119.60452	2.4
121.10148	100.0
131.08600	3.5
138.12785	65.1
139.08600	2.3
139.11186	60.1
149.09615	13.8
156.13857	27.1
166.12300	4.1
167.10687	4.8
168.27612	2.5
179.46625	2.1
184.13327	58.4
185.11647	3.0
200.92421	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	184.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33929	0.1
51.31215	0.1
56.34446	0.1
56.61628	0.1
56.96576	0.1
57.94498	0.1
60.95861	0.1
66.75951	0.1
72.04517	6.9
72.08155	3.8
75.43307	0.1
78.61539	0.1
86.07175	0.8
88.07612	0.2
94.08095	0.1
111.82803	0.1
114.06646	0.5
124.07590	0.3
128.84221	0.1
138.09071	0.2
142.12277	0.7
161.01294	0.2
184.14449	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.1695
Annotation	Tecostanine
Peak:m/z	Relative Intensity
55.05523	21.3
56.10838	1.9
57.03438	3.2
57.07083	19.9
58.06610	3.5
67.05505	12.5
69.07072	100.0
71.05004	3.7
71.08633	15.7
72.08141	3.5
79.05486	4.2
81.07082	19.8
83.05013	2.8
83.08622	91.8
85.06554	3.9
85.10194	2.5
86.06078	19.1
93.07062	22.0
95.08598	24.4
97.06529	32.0
97.10175	13.8
98.07188	2.4
98.98466	3.8
100.07623	31.1
107.08596	27.3
109.10190	18.2
111.08071	23.8
114.09173	23.7
118.96686	3.0
121.10163	17.3
123.11653	4.2
124.08731	4.1
125.09665	8.1
125.13265	11.1
128.10706	13.6
142.15889	13.1
149.13252	80.0
152.37645	2.6
166.15939	2.4
167.14299	50.4
184.09836	11.4
184.16965	87.1
184.20534	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	184.1695
Annotation	Tecostanine
Peak:m/z	Relative Intensity
51.93641	3.9
55.05511	33.0
57.07068	24.2
60.40399	5.7
65.50424	6.7
67.05498	6.6
69.07071	100.0
70.03719	5.5
71.04980	8.4
71.99463	4.9
74.23283	5.6
76.48983	5.0
80.24556	6.2
81.07059	27.5
83.04998	7.5
83.08617	87.9
86.06062	29.9
89.12691	4.8
93.07047	31.2
95.08611	9.7
97.06533	35.3
97.10143	24.9
98.55387	5.2
100.07603	34.4
107.08594	22.4
109.10167	8.9
111.08072	22.6
114.09170	28.8
121.10120	30.3
125.09594	6.6
125.13254	11.8
128.10686	9.3
138.12766	8.3
139.11230	6.6
149.13268	81.8
156.13914	10.3
156.96187	6.2
167.14256	40.1
184.13333	22.6
184.16954	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	184.1695
Annotation	Tecostanine
Peak:m/z	Relative Intensity
55.01890	2.3
55.05519	24.7
57.03441	3.7
57.07084	24.5
58.06603	1.4
59.05025	1.7
60.13515	1.4
60.95851	6.9
61.72390	1.6
67.05505	15.0
69.07075	100.0
70.06554	2.2
71.04987	7.2
71.08633	13.9
72.04516	2.7
72.08162	7.8
73.45722	1.5
74.81374	1.3
79.05495	3.3
80.03642	1.3
81.07070	22.9
83.04990	3.4
83.08630	96.2
85.06531	3.2
85.10197	3.6
86.06083	19.0
86.09715	9.6
92.20899	1.5
93.07045	26.4
95.08610	17.9
97.06539	28.5
97.10177	13.1
98.98467	6.3
100.07625	31.6
107.08614	23.1
109.10162	18.5
111.08090	25.9
114.09188	21.8
116.94716	1.4
118.96752	9.2
119.96812	3.8
121.10134	18.4
123.11682	6.5
125.09631	8.9
125.13289	13.9
127.01466	1.6
128.10735	11.9
141.98409	2.1
142.12306	2.2
142.15918	10.5
149.13263	82.5
167.14313	52.7
184.07387	9.4
184.09966	18.5
184.16969	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	186.1125
Annotation	Pseudoecgonine
Peak:m/z	Relative Intensity
52.74554	0.3
55.01868	0.5
55.05516	0.8
56.05040	2.5
57.03443	1.1
58.06601	0.4
60.05653	2.0
67.05516	0.7
68.05027	2.9
69.07072	1.1
70.02953	3.7
70.06594	0.8
71.08640	1.9
72.04517	3.0
72.08158	0.7
73.02917	0.9
74.02444	2.7
80.05022	11.8
81.07061	1.8
82.06582	0.8
83.41953	0.4
84.04511	9.7
84.08146	15.0
86.06075	0.5
86.09714	5.8
87.04451	0.4
88.03995	1.9
91.05533	0.4
94.06563	0.7
95.08611	2.2
97.00818	1.9
97.05276	0.8
98.06064	8.6
98.09680	0.8
101.86658	0.4
102.05550	0.9
105.07053	1.0
108.56475	0.5
111.08071	0.8
112.11236	5.2
114.05540	0.8
116.07085	0.5
121.00771	9.4
122.09669	20.3
126.05524	1.0
130.05014	1.8
137.03955	0.5
138.05469	0.6
139.01825	15.5
140.10709	100.0
144.06581	2.1
145.02841	1.0
146.51218	0.4
158.11728	0.5
163.01820	53.8
167.77861	0.4
181.02873	57.4
186.03418	1.9
186.11255	45.7
186.14795	1.6
186.18462	0.5
186.22263	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	186.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02154	0.5
55.05519	11.8
56.05040	0.5
57.07080	1.1
57.65319	0.4
58.80441	0.4
59.05000	0.6
66.92293	0.5
67.05511	51.9
69.07073	3.3
69.66457	0.5
71.04999	11.9
76.26179	0.5
79.05493	3.5
81.07063	100.0
83.04982	0.6
83.08630	5.5
84.04525	0.6
85.02902	2.3
85.06074	1.0
85.06549	20.1
89.03941	0.9
91.05480	8.3
92.20885	1.0
93.07050	1.2
95.08620	4.8
97.10167	2.3
105.07025	3.9
107.08602	4.1
107.25239	0.5
109.10155	11.6
112.03955	0.6
117.03397	5.4
119.02840	0.8
119.08559	0.6
121.00809	4.7
121.10138	0.7
123.11705	29.4
126.05548	4.6
127.03838	0.7
133.10133	17.2
138.18121	0.5
139.01799	7.8
145.02843	13.3
151.11186	11.0
158.06001	2.7
163.01811	29.1
168.13785	1.1
169.12213	8.6
181.02870	33.8
181.04497	1.1
186.03409	1.2
186.05547	3.7
186.07632	2.2
186.11295	6.7
186.12737	0.6
186.13522	0.8
186.14944	5.3
186.18469	0.6
187.13290	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	186.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73446	0.4
54.12343	0.3
55.05523	8.4
57.03431	0.7
57.07074	1.7
59.04995	2.2
67.05512	48.8
67.11839	0.4
69.07069	3.3
71.05000	10.3
71.05376	0.7
73.06557	1.0
73.88015	0.4
79.05491	4.3
81.07065	100.0
82.06612	0.5
83.08625	5.5
85.06549	18.0
91.05488	8.7
93.07028	1.8
95.08607	4.0
97.10195	3.0
99.04463	0.6
105.07035	3.1
107.08600	5.0
109.06481	0.6
109.10158	8.7
111.79495	0.4
115.75346	0.4
121.10160	0.6
121.96641	0.8
123.10808	0.9
123.11710	29.0
126.05540	0.9
133.10146	17.8
138.05510	0.4
139.01808	0.8
139.11192	0.5
144.06625	0.6
144.08818	0.4
145.02805	0.4
151.11195	10.8
168.13844	1.7
169.12218	7.0
181.02896	0.7
186.07768	0.5
186.11281	8.3
186.13576	2.1
186.15004	4.7
186.22299	0.5
187.13292	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	186.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07082	22.4
68.42678	0.6
69.07065	0.9
71.04994	1.2
71.08635	9.9
74.06081	4.8
76.30661	0.6
80.75952	0.5
81.07078	2.5
82.91859	0.6
83.08620	1.0
85.09699	0.6
85.10173	4.3
85.48415	0.6
88.07630	22.6
88.08141	0.8
100.07600	0.9
102.09189	11.9
113.41431	0.7
116.10738	3.4
130.12378	0.6
139.01785	0.9
158.10353	0.8
163.01846	0.8
181.02835	0.8
186.11311	5.1
186.13693	2.6
186.18532	100.0
186.22069	12.2
191.34915	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	186.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07085	30.2
59.32906	0.9
60.82561	0.9
71.04996	1.9
71.08637	17.0
74.06073	4.8
74.55467	0.9
82.06566	1.0
85.10172	7.1
88.07629	18.5
96.05427	1.1
102.09199	10.5
116.10709	2.6
121.00848	1.3
121.96584	1.2
126.05502	2.7
139.01872	2.1
163.01814	5.7
181.02847	7.7
183.33168	1.1
186.11284	9.5
186.18532	100.0
186.22113	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	186.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46926	1.3
57.07084	64.7
63.11201	1.3
67.57200	1.3
71.08273	2.3
71.08630	36.6
74.06074	3.1
79.85667	1.4
81.07059	3.5
82.06543	1.7
85.10181	17.1
88.07630	19.1
95.12308	1.5
95.58809	1.6
102.09181	13.4
102.96886	1.6
116.10743	2.1
139.01791	2.2
163.01834	3.1
181.02879	9.0
186.11273	13.2
186.13721	3.0
186.18529	100.0
186.22156	57.2
186.23886	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	187.1328
Annotation	(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate
Peak:m/z	Relative Intensity
55.05526	5.2
57.03422	1.0
57.07077	0.7
59.05012	5.6
60.68418	0.4
67.05512	77.0
69.03428	0.8
69.07062	1.0
71.04986	3.7
75.14922	0.4
79.05492	0.7
81.07062	10.1
83.08622	7.5
85.06528	3.8
88.70213	0.4
91.05470	4.3
93.07053	3.1
95.08608	6.6
107.08580	0.8
109.10159	100.0
111.08084	2.8
115.40144	0.4
116.39173	0.5
117.07030	0.7
119.08578	6.3
131.08521	0.5
132.28712	0.4
137.09625	4.6
145.10129	1.7
155.10643	7.8
173.11731	16.4
173.13167	0.7
187.11270	0.7
187.14806	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	187.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91952	0.6
55.05511	4.8
57.03441	1.8
57.07101	0.7
59.05008	7.0
67.05515	75.4
69.07060	1.1
71.05001	1.6
73.87006	0.8
81.07070	10.1
83.08624	7.6
85.06554	5.0
88.02211	1.2
91.05511	2.8
93.07060	2.9
95.08600	8.8
96.28596	0.7
107.08613	0.8
109.10163	100.0
111.08092	3.5
113.00028	29.9
115.50919	0.9
119.08569	6.9
122.96493	4.3
131.08557	1.7
137.09624	4.6
145.10152	1.8
155.10663	5.1
159.11786	1.0
173.11734	16.6
187.11417	1.8
187.14873	3.8
202.22618	0.8
204.02194	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	187.1328
Annotation	(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate
Peak:m/z	Relative Intensity
55.05518	6.0
57.03439	1.2
57.07084	0.7
59.05008	6.3
61.91383	0.4
64.05624	0.4
67.05510	82.6
69.07054	1.0
71.05000	3.6
79.05499	0.8
81.07063	12.3
82.07394	0.8
83.08621	7.4
85.06551	3.4
88.02202	0.6
91.05475	5.1
93.06486	0.5
93.07043	3.5
95.08616	7.0
105.07089	0.6
107.08630	1.7
109.10156	100.0
111.08080	3.1
113.00018	2.4
115.96525	0.4
119.08591	6.5
122.96449	1.2
130.75319	0.6
131.08574	2.2
133.10138	0.9
137.09637	4.9
145.10075	4.0
155.10677	4.0
159.11668	1.0
173.11723	14.7
187.04677	0.5
187.11195	4.1
187.14812	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	187.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	4.7
57.03434	1.0
57.07090	0.6
59.05008	5.3
67.05513	82.0
71.05000	3.6
81.07059	10.3
81.86171	0.4
83.08622	7.0
85.06535	3.8
91.05503	4.4
93.07046	2.4
95.08623	7.8
103.29942	0.5
107.08582	0.7
109.10163	100.0
109.30207	0.5
111.08089	2.9
113.00026	3.0
115.59080	0.5
119.08597	6.4
122.96489	2.1
128.19467	0.5
131.08551	1.0
137.09610	3.4
145.10153	2.5
155.10654	6.8
173.11737	20.1
187.11208	1.0
187.14819	4.4
204.06985	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	187.1327
Annotation	(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate
Peak:m/z	Relative Intensity
55.05516	6.4
57.03421	2.2
57.07063	0.7
59.02156	0.5
59.05003	5.6
64.14042	0.5
65.03942	0.5
67.05508	81.2
69.03430	0.9
69.07050	1.1
71.04996	3.4
81.07064	13.1
82.07410	1.8
83.08627	8.9
85.06547	5.0
91.05494	3.4
93.07038	3.4
95.08611	6.7
95.73594	0.6
104.99294	0.7
107.08607	1.0
109.10155	100.0
111.08082	3.3
113.00002	4.4
119.08582	6.4
122.96460	2.9
127.11218	0.6
130.38750	0.5
131.08574	0.6
137.09633	3.1
145.10114	2.2
155.10675	5.6
159.11690	0.6
173.11710	18.8
187.07315	0.5
187.11227	0.5
187.14815	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	187.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18442	0.5
55.05517	5.1
57.03433	1.1
57.07095	0.7
57.66571	0.5
59.05005	6.1
62.57567	0.5
63.91980	0.5
67.05509	73.6
69.07088	0.7
71.04990	2.5
73.05412	0.5
79.05493	0.9
81.07056	11.0
83.08629	8.8
85.06528	3.3
88.58271	0.6
91.05485	4.0
93.07052	3.7
95.08607	9.0
107.08591	0.8
109.10155	100.0
111.08088	2.8
113.00013	12.0
119.08563	7.6
122.96487	1.4
127.11187	1.0
131.08537	1.3
137.09610	3.8
145.09148	0.7
145.10101	6.0
155.10680	4.1
159.08005	0.7
159.11739	0.7
164.02953	1.0
173.11723	16.6
179.37553	0.6
181.96417	0.6
187.11334	1.5
187.14845	8.2
207.68317	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1328
Annotation	(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate
Peak:m/z	Relative Intensity
51.38396	0.4
54.69152	0.5
55.01857	0.5
55.05523	4.0
57.03437	2.5
57.07079	0.8
59.04996	3.9
62.63671	0.5
65.03957	0.8
66.45853	0.5
67.05511	79.7
69.03437	0.5
69.07071	1.2
71.04991	3.9
79.05508	0.8
81.07066	9.2
83.08624	7.2
83.75733	0.5
85.00484	0.6
85.06572	4.1
91.05488	4.7
93.07040	2.1
95.04968	0.6
95.08606	7.7
101.06033	0.7
102.74380	0.5
105.07045	0.7
107.08590	1.1
109.10159	100.0
111.08083	3.5
112.64970	0.5
115.51881	0.5
117.06969	0.8
117.99319	0.5
119.08586	6.9
122.96424	0.5
127.11170	0.6
131.08549	1.3
137.09628	3.2
145.10150	6.5
155.10706	4.8
159.11652	2.4
164.02942	2.6
173.11729	19.5
187.11148	4.2
187.14812	14.7
190.73567	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	187.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	6.5
57.03441	1.7
57.07081	0.7
59.05007	5.1
63.88351	0.4
65.03938	0.6
65.18829	0.3
67.05511	76.1
69.07063	1.1
71.05000	3.5
79.05496	0.9
81.07064	12.9
81.77870	0.4
83.08623	8.2
85.06541	4.0
88.47923	0.4
91.05479	3.1
93.07050	2.0
95.08604	7.6
99.08115	0.4
107.08591	1.0
109.10159	100.0
111.08068	3.8
112.99992	0.5
117.07044	0.6
119.08585	6.3
122.96476	0.5
131.08548	2.1
137.09642	4.0
145.10136	2.5
155.10674	6.4
159.11571	0.6
159.56085	0.4
164.97035	0.4
173.11742	17.1
176.22198	0.5
187.09772	0.4
187.11263	2.5
187.14827	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	187.1328
Annotation	(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate
Peak:m/z	Relative Intensity
53.03947	0.3
54.69852	0.3
55.05519	5.5
56.55956	0.3
57.03429	1.3
57.07096	0.6
59.05009	5.2
64.25758	0.3
67.05511	81.6
67.39005	0.3
69.03423	0.4
69.07087	0.7
71.04995	3.2
79.05507	0.6
81.07065	10.3
83.08624	7.7
85.06543	3.8
88.02190	0.4
91.05492	3.8
93.07036	3.6
95.08609	6.9
107.08590	1.7
109.10159	100.0
111.08063	2.7
111.92548	0.3
119.08583	7.3
125.32030	0.4
127.11173	0.5
137.09605	3.6
145.10153	2.7
155.10670	6.9
164.03023	0.5
173.10223	0.6
173.11731	18.8
187.11220	1.5
187.14795	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	187.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.0
55.05329	1.0
55.05524	15.2
56.05048	10.8
56.96558	2.4
58.06594	6.2
59.05017	0.9
60.32037	0.8
65.92681	0.9
67.05511	17.2
67.45507	0.9
68.05020	7.8
69.03429	2.3
69.07066	2.5
70.02932	1.1
70.06595	4.5
71.04996	1.0
72.39836	0.9
73.55875	0.9
74.97603	0.9
75.04482	1.3
78.46056	1.0
79.05505	56.3
79.05968	1.8
80.05024	1.7
81.03430	1.6
81.05805	1.1
81.06631	1.2
81.07067	23.5
82.06590	17.0
83.07344	2.0
83.08630	16.9
84.08137	2.1
85.06531	5.3
86.09712	1.5
91.05484	9.2
93.07058	14.0
95.07336	1.3
95.08603	2.4
96.08125	5.3
97.10170	12.6
98.06060	1.8
99.02834	2.3
103.05470	2.1
105.07019	5.2
106.32984	1.1
107.08601	29.0
108.03364	9.1
108.08092	4.1
109.06517	2.5
109.08895	1.4
109.10151	6.8
110.09637	1.4
112.07575	4.2
115.05405	1.6
116.06204	1.7
117.07047	4.7
121.02297	1.8
123.08040	1.1
124.11233	73.5
125.09646	2.1
126.09163	1.2
128.06226	1.9
129.07004	8.8
131.04948	5.0
131.08574	6.2
134.09654	10.7
135.08058	7.3
141.06969	1.9
144.05688	8.4
144.10190	1.6
145.06377	1.1
145.10112	4.1
152.10707	21.3
155.04910	5.9
156.05678	4.8
159.08060	52.7
159.11749	1.7
163.01836	1.4
163.97505	1.4
164.03137	1.8
170.11783	8.0
172.05193	7.2
173.86795	1.1
181.02849	1.3
182.03262	5.0
187.07539	100.0
187.11093	8.9
187.14749	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	187.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.0
55.05329	1.0
55.05524	15.2
56.05048	10.8
56.96558	2.4
58.06594	6.2
59.05017	0.9
60.32037	0.8
65.92681	0.9
67.05511	17.2
67.45507	0.9
68.05020	7.8
69.03429	2.3
69.07066	2.5
70.02932	1.1
70.06595	4.5
71.04996	1.0
72.39836	0.9
73.55875	0.9
74.97603	0.9
75.04482	1.3
78.46056	1.0
79.05505	56.3
79.05968	1.8
80.05024	1.7
81.03430	1.6
81.05805	1.1
81.06631	1.2
81.07067	23.5
82.06590	17.0
83.07344	2.0
83.08630	16.9
84.08137	2.1
85.06531	5.3
86.09712	1.5
91.05484	9.2
93.07058	14.0
95.07336	1.3
95.08603	2.4
96.08125	5.3
97.10170	12.6
98.06060	1.8
99.02834	2.3
103.05470	2.1
105.07019	5.2
106.32984	1.1
107.08601	29.0
108.03364	9.1
108.08092	4.1
109.06517	2.5
109.08895	1.4
109.10151	6.8
110.09637	1.4
112.07575	4.2
115.05405	1.6
116.06204	1.7
117.07047	4.7
121.02297	1.8
123.08040	1.1
124.11233	73.5
125.09646	2.1
126.09163	1.2
128.06226	1.9
129.07004	8.8
131.04948	5.0
131.08574	6.2
134.09654	10.7
135.08058	7.3
141.06969	1.9
144.05688	8.4
144.10190	1.6
145.06377	1.1
145.10112	4.1
152.10707	21.3
155.04910	5.9
156.05678	4.8
159.08060	52.7
159.11749	1.7
163.01836	1.4
163.97505	1.4
164.03137	1.8
170.11783	8.0
172.05193	7.2
173.86795	1.1
181.02849	1.3
182.03262	5.0
187.07539	100.0
187.11093	8.9
187.14749	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	188.0376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02450	0.2
53.03959	0.2
55.01880	0.3
56.05040	0.4
57.03449	0.3
60.04533	0.3
65.03942	0.3
67.05514	0.2
67.20451	0.2
69.03441	0.3
70.02971	0.3
70.06596	0.3
72.08163	0.3
74.02435	0.3
74.06062	0.4
75.43610	0.2
82.06555	0.2
84.04513	0.5
84.08151	0.3
85.01140	0.7
85.04060	0.2
85.06564	0.5
86.06063	1.7
86.09711	0.7
87.02705	0.2
88.03998	0.4
90.70250	0.2
98.06050	0.5
100.03978	0.4
100.07607	0.4
100.97238	0.2
102.05537	0.3
104.08263	0.5
110.02421	0.8
110.06034	0.8
111.04398	0.3
112.02200	1.5
114.05550	0.5
124.07580	0.2
124.11241	0.3
125.06015	0.4
126.01817	0.3
126.05530	0.3
128.03436	1.0
128.07051	2.2
134.45213	0.2
138.05505	0.5
140.01672	1.6
142.08661	0.5
142.12299	2.3
146.06032	0.2
146.08095	0.3
147.04379	0.4
152.07068	0.3
156.02872	0.5
156.07774	0.3
156.11325	1.9
158.02686	0.4
165.02225	0.2
170.02682	5.8
170.08134	1.0
170.11754	0.3
171.14909	0.3
180.29083	0.2
188.03769	100.0
188.06921	2.8
188.14151	1.5
188.17632	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	188.0706
Annotation	3-Indoleacrylate
Peak:m/z	Relative Intensity
50.51953	0.7
58.25861	0.8
62.47393	0.7
64.54317	0.8
69.07073	3.2
76.09245	0.9
80.05603	0.9
91.05470	1.5
92.21249	1.2
110.10510	1.0
115.05499	6.4
117.06998	1.7
118.06549	36.9
142.06520	16.9
143.07281	6.3
144.08095	28.0
146.06012	100.0
147.04422	1.2
149.75610	0.9
160.07529	1.1
170.06012	95.7
188.07042	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	188.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34690	0.7
55.01875	1.0
55.05524	13.5
55.59368	0.7
57.07089	1.4
58.06603	1.3
60.00262	0.7
67.05512	8.9
69.03426	3.0
69.07060	1.5
70.27795	0.7
79.05499	11.6
81.07060	6.0
83.04974	0.9
83.08620	24.7
86.06062	4.0
93.07045	8.3
97.10173	52.4
97.17725	0.8
100.07621	1.8
100.11245	4.8
107.08596	42.6
109.10159	5.2
124.11233	20.0
125.09624	56.2
135.08052	30.2
142.12274	29.7
143.10646	1.2
152.10713	8.3
153.09102	22.5
165.00859	1.0
170.11754	100.0
171.10159	4.1
188.09203	1.8
188.10846	0.9
189.11214	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	(E)-2-Butenyl-4-methyl-threonine
Peak:m/z	Relative Intensity
51.53531	0.9
52.97701	1.0
55.01881	2.8
55.05519	15.9
57.07076	5.0
57.81004	0.9
61.59074	1.0
64.05770	0.9
65.40710	1.1
65.99062	1.0
67.05518	9.2
69.03435	5.4
69.07063	1.1
72.64153	1.1
79.05496	14.9
81.07050	2.4
83.05005	1.1
83.08627	29.7
86.06070	6.8
93.07045	9.1
95.64780	1.2
96.79114	1.3
97.10169	60.6
100.07649	2.1
100.11255	6.5
107.08598	55.7
109.10161	6.7
111.08064	2.4
124.11234	22.8
125.09631	67.4
135.08055	34.0
142.12274	31.6
152.10739	17.1
153.09100	25.6
156.11345	9.7
170.11755	100.0
171.10222	4.6
188.14044	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	188.1281
Annotation	(E)-2-Butenyl-4-methyl-threonine
Peak:m/z	Relative Intensity
53.03952	1.3
54.66477	0.9
55.01878	5.8
55.05519	52.3
55.59393	0.8
57.07079	7.1
62.31269	0.8
64.95525	1.1
67.05509	8.2
69.03438	5.6
69.07070	13.5
79.05487	9.2
81.07072	7.2
83.04987	1.6
83.08625	45.4
86.06068	7.3
97.10169	100.0
100.07610	5.4
100.11271	6.5
107.08602	13.4
124.11156	1.1
125.09628	69.4
125.10548	2.3
140.27400	1.2
142.12268	16.7
143.10654	2.5
146.57745	1.0
165.00854	2.4
171.10072	2.1
188.09293	4.5
188.12837	5.1
188.15079	1.3
189.11218	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	188.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07086	19.1
69.03440	1.9
71.04990	0.2
85.06554	12.4
85.79268	0.2
86.06074	100.0
87.04472	15.3
88.07632	0.3
100.28036	0.2
104.07112	27.5
118.06537	0.4
118.75513	0.2
128.07079	0.2
129.09106	0.2
130.09790	0.3
133.63361	0.2
143.18448	0.2
146.05980	1.7
149.15707	0.2
156.11340	0.8
170.11700	0.2
188.06940	0.2
188.09309	0.3
188.11336	0.3
188.12732	2.0
188.14267	0.2
203.96005	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	188.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91607	0.2
53.86860	0.2
57.07088	6.7
58.04089	2.4
58.17787	0.2
63.13976	0.2
69.03420	0.2
69.04210	0.4
69.04559	10.3
71.05003	11.0
71.18842	0.2
76.03976	1.1
81.07037	0.9
84.04446	0.3
84.08134	0.2
85.06556	3.9
86.03564	5.7
86.06078	34.0
86.09680	0.3
87.04475	5.5
88.07639	25.7
104.07115	9.7
113.09652	7.1
114.09200	0.3
118.06521	0.4
128.07065	0.3
139.11017	0.2
142.12332	0.3
144.08118	0.4
146.06003	1.5
156.11330	100.0
170.11786	0.5
188.07036	0.3
188.13971	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	188.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59926	0.4
55.05501	1.7
56.54636	0.3
57.07089	0.4
58.04068	2.1
61.04036	0.4
67.05489	0.7
69.04211	0.5
69.04556	11.3
69.79221	0.4
70.06570	0.4
70.19983	0.3
71.04649	0.6
71.04998	11.5
79.05483	0.9
81.07054	1.8
83.08619	3.0
84.04491	0.5
85.67929	0.4
86.03549	6.2
88.07631	26.0
93.07037	0.7
97.10165	5.0
100.11221	0.4
107.08602	4.8
113.09620	7.9
124.11247	3.0
125.09634	6.8
135.08073	3.1
139.11024	0.6
142.12253	2.4
146.06012	2.1
146.32892	0.4
152.10722	0.8
153.09091	2.9
156.11317	100.0
170.11740	12.7
188.07262	0.5
188.13943	32.4
189.47531	0.5
209.08955	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	188.1644
Annotation	n-Decanohydroxamic acid
Peak:m/z	Relative Intensity
50.85187	0.6
55.01882	1.4
55.05516	11.1
57.03438	4.4
57.07087	9.7
61.34352	0.7
67.05511	8.2
69.07073	100.0
70.39215	0.7
71.05003	9.6
71.08634	6.4
72.04506	1.0
72.08154	4.0
72.66778	0.9
75.28469	0.7
79.05490	9.7
81.07061	17.9
81.79252	0.8
83.04995	6.3
83.08623	25.3
85.10188	1.2
86.06059	8.0
92.20940	1.5
93.00666	0.9
93.07044	21.5
95.08604	19.4
97.06536	32.9
97.10136	0.8
100.07603	11.4
101.06003	1.1
104.98279	0.9
107.08601	26.2
109.10158	12.5
111.08091	11.9
111.11716	20.9
114.09170	7.5
115.07559	1.2
128.10696	1.0
128.14343	3.3
135.11697	79.6
146.06010	3.5
152.14359	0.7
153.12744	48.5
158.65233	1.0
160.21210	0.9
170.15395	14.2
171.13811	3.3
177.78192	0.8
188.07025	0.9
188.16473	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	188.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78197	0.6
57.07082	38.1
58.06607	83.2
59.04996	1.3
65.97905	0.7
66.76100	0.6
71.08636	44.4
74.66673	0.7
76.07645	100.0
82.38432	0.7
92.21572	1.7
119.95174	0.8
171.73993	0.7
188.20094	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	188.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56154	0.8
57.07082	45.3
58.06609	83.3
59.04987	1.4
62.53725	0.7
71.08635	50.6
76.07645	100.0
101.21249	1.0
120.05357	1.0
154.66165	1.1
188.15155	0.9
188.20091	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	188.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13889	0.8
57.07084	42.0
57.91057	0.8
58.06608	79.6
59.05001	1.4
71.08633	43.2
72.40282	0.8
76.07645	100.0
105.43176	1.0
158.97827	1.1
173.45915	1.0
188.20099	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	189.1234
Annotation	Ile Gly
Peak:m/z	Relative Intensity
55.05474	0.1
60.05647	0.3
60.08177	0.2
69.07062	0.8
70.06585	0.7
72.08163	1.4
75.05113	0.1
79.46407	0.2
79.75918	0.1
80.87108	0.2
84.08142	0.8
86.09708	100.0
95.01320	0.2
96.04494	1.8
101.01728	0.7
111.04413	0.3
114.05527	3.6
118.08671	0.1
118.84238	0.1
130.07730	0.1
130.08643	1.2
133.88745	0.2
139.05058	0.2
143.11801	0.2
147.02242	1.5
150.40184	0.2
153.27686	0.2
157.06055	1.1
189.04182	1.3
189.07265	0.3
189.08737	1.5
189.12296	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	189.1234
Annotation	6-Acetamido-3-aminohexanoate
Peak:m/z	Relative Intensity
57.09234	0.2
63.52568	0.2
70.06594	1.4
72.08165	1.7
75.05605	0.3
82.42852	0.3
84.08140	1.1
86.09709	100.0
113.07130	13.8
113.07927	0.5
132.10205	48.1
143.11803	23.4
147.02245	0.6
147.08002	0.4
160.10818	0.3
171.11246	0.3
188.71278	0.3
189.06526	1.0
189.12367	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	189.1597
Annotation	N6,N6,N6-Trimethyl-L-lysine
Peak:m/z	Relative Intensity
53.62247	0.5
55.01874	1.1
55.05510	2.2
56.05031	0.7
60.05645	1.1
60.08171	32.2
61.04056	5.5
67.05494	1.1
70.02940	0.6
70.06303	0.5
70.06597	9.3
72.08157	23.0
74.07204	3.5
80.47253	0.6
82.99704	0.5
83.04972	2.9
84.04490	3.3
84.08148	100.0
85.02904	4.1
85.04034	4.6
86.09703	0.7
99.04478	6.3
99.05553	2.6
102.05518	0.7
111.02824	0.6
111.04452	4.5
115.03738	0.7
116.07067	3.3
118.08611	2.5
118.73137	0.7
119.01896	0.8
122.55444	0.6
127.05034	8.5
129.01834	1.0
129.05495	7.3
130.08640	71.9
133.03433	0.7
141.06604	5.7
144.11302	3.1
144.13823	3.1
147.02254	1.0
157.01332	0.7
157.03378	0.8
163.18973	0.6
171.07608	2.7
172.15294	0.7
174.03859	0.6
189.06004	0.6
189.08658	13.4
189.10480	1.3
189.13538	6.7
189.15962	38.2
196.46519	0.7
202.77280	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	190.0126
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05732	15.1
54.56101	14.2
71.81520	15.8
73.02908	18.3
81.41449	16.9
98.03510	21.3
102.05564	79.4
112.05119	20.5
128.08112	32.5
140.04503	22.2
144.06535	17.8
158.09216	25.0
172.07210	26.4
190.01285	100.0
190.08287	32.4
190.11971	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	190.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	0.3
70.06597	0.3
88.07630	2.1
91.05482	2.0
91.17465	0.2
93.07051	0.3
99.04297	0.4
103.05466	1.7
107.07254	0.3
115.37157	0.3
118.06538	1.1
120.08102	100.0
129.09119	2.1
130.06531	2.6
130.07382	0.5
131.04915	0.6
134.10490	0.3
144.08084	2.9
147.06792	0.3
149.02348	3.2
155.54327	0.3
158.06770	0.4
160.72694	0.3
162.05484	2.4
162.08917	0.4
162.10246	7.9
172.03818	0.4
172.07594	1.1
175.07141	0.4
190.04926	2.4
190.09766	32.1
203.54965	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	191.0662
Annotation	N-Carbamyl-L-glutamate
Peak:m/z	Relative Intensity
55.33006	0.6
55.65025	0.5
56.05032	0.9
57.03435	7.0
57.47802	0.6
59.69155	0.6
60.04532	23.4
60.53800	0.6
61.02928	4.1
61.04055	7.9
64.21558	0.6
64.54420	0.6
64.74424	0.6
69.03431	1.3
71.01372	0.7
73.02901	6.6
74.02438	1.5
74.06065	1.4
75.04490	10.6
84.04559	0.7
85.02905	27.1
86.09699	1.2
88.03992	93.5
89.38052	0.6
91.07825	0.6
96.68881	0.6
99.01946	3.7
102.05560	0.8
103.03944	100.0
113.03448	0.9
116.03447	47.8
120.06573	14.0
130.05019	5.9
131.03586	0.9
131.04524	6.8
145.03481	2.7
145.06084	1.4
148.06042	47.9
149.96075	1.0
149.97176	0.9
159.03979	1.3
168.05083	0.8
173.05585	5.0
191.06641	9.6
191.08092	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	191.0661
Annotation	N-Carbamyl-L-glutamate
Peak:m/z	Relative Intensity
56.05037	0.6
56.96563	0.5
57.03447	6.3
60.04524	4.1
61.04051	10.1
63.90517	0.5
64.92899	0.5
69.03433	3.2
72.04522	0.8
73.02915	5.6
74.06073	0.7
75.04474	1.1
76.05108	0.7
84.04503	0.7
85.02910	27.6
88.03998	1.1
95.25054	0.5
98.67076	0.6
103.03945	100.0
104.07107	0.9
109.06487	0.8
116.03410	0.6
120.06567	14.9
130.04987	6.1
132.06567	0.9
145.03488	2.6
148.06046	43.5
149.01790	0.8
168.04962	0.9
173.05545	2.5
191.06628	7.9
206.35582	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.5
55.05516	0.5
55.55280	0.3
56.05033	0.4
57.03440	2.9
60.04530	0.8
61.04055	2.9
67.05500	3.2
69.03441	0.8
72.93794	0.5
73.02921	2.9
74.06062	0.5
75.04478	0.4
76.59119	0.4
79.05493	2.7
81.07063	27.5
83.04990	0.9
85.02912	12.1
85.06541	3.1
85.96475	0.4
86.09689	0.4
90.94836	3.4
91.05477	3.8
93.07047	4.8
94.46638	0.3
95.04945	1.5
103.03950	39.6
105.07036	0.6
108.95881	0.5
109.06524	53.5
109.85020	0.3
111.04449	9.5
111.08038	0.4
113.06038	0.7
118.04183	0.4
119.04971	2.8
120.06577	6.3
120.08069	0.5
127.07555	17.4
130.04990	2.7
131.04909	0.4
131.07059	0.4
131.08568	7.8
133.10107	0.5
134.33699	0.4
137.05984	100.0
144.31310	0.4
145.10141	2.0
148.06049	21.5
149.01224	0.6
149.94019	0.7
149.96155	3.1
155.07036	13.0
163.11047	0.4
167.97125	1.7
173.05664	1.5
173.08095	11.4
173.13223	0.6
176.04625	0.6
191.06673	4.0
191.08160	0.3
191.10654	1.5
191.14326	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	191.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77317	0.5
53.53036	0.6
55.01888	5.8
55.05503	1.4
57.03424	3.0
60.20822	0.6
61.04048	1.6
65.03951	0.7
67.05510	13.2
69.03426	8.8
69.07059	4.6
71.04988	3.4
77.03907	0.8
79.05076	0.6
79.05492	18.5
79.53288	0.6
81.07066	8.4
83.04966	3.9
83.08582	0.7
85.02903	7.6
91.05479	20.0
93.07047	10.5
95.04959	23.3
95.08593	4.6
97.06525	16.9
103.03941	23.1
103.05464	1.5
105.03394	1.7
105.07037	10.7
107.04955	81.9
107.08595	13.7
109.06506	4.0
109.10139	1.2
111.04460	1.2
113.05987	1.5
117.07017	12.4
119.08564	9.5
120.06573	3.2
121.06503	6.7
121.10138	15.2
123.04444	3.2
123.08072	7.8
125.05981	3.0
129.07008	6.9
131.04898	8.6
131.08556	30.1
133.10130	21.0
135.08052	10.0
135.11682	12.3
137.09627	2.7
143.08530	2.9
145.06491	8.4
145.10123	51.9
147.08044	14.3
147.11670	5.8
148.06076	11.6
149.09625	10.9
149.13252	3.4
150.02637	0.8
155.08543	10.3
158.10884	2.9
163.07503	3.0
163.11166	54.9
163.14822	1.4
173.05548	0.9
173.09612	54.1
173.13196	11.4
184.08931	0.7
191.06972	4.9
191.10660	100.0
191.14294	26.4
191.17865	1.2
207.30296	0.8
211.68744	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	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.5
55.05526	2.7
57.03454	2.5
57.07093	0.5
61.04070	0.5
61.08749	0.4
61.29443	0.4
67.05530	0.9
69.03432	12.2
69.07078	2.0
69.72311	0.4
73.02927	0.9
73.34807	0.4
75.04428	0.4
79.05500	3.4
81.07063	5.5
83.04995	1.2
83.08630	0.7
85.02908	5.2
85.06542	0.6
91.05492	3.5
93.07047	4.2
95.04997	0.6
95.08611	3.0
103.03951	17.1
103.05464	1.2
105.07040	5.5
107.04967	3.7
107.08598	17.8
109.06543	1.0
109.10163	5.4
117.07046	0.9
119.08582	3.1
120.06590	2.8
121.06524	1.9
121.10138	13.6
122.07349	0.6
123.08071	0.9
130.05026	0.9
131.04953	1.8
131.08565	5.0
133.10132	100.0
135.08038	5.1
135.11679	2.2
137.09625	20.2
138.21199	0.5
145.10121	5.9
147.11691	3.3
148.06088	7.5
149.09607	2.5
149.13255	12.6
158.10889	2.5
163.07501	3.0
163.14822	2.5
173.13258	19.5
191.06880	4.7
191.08598	1.1
191.10657	1.0
191.14297	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	192.0655
Annotation	5-Phenyl-1,3-oxazinane-2,4-dione
Peak:m/z	Relative Intensity
56.98154	0.4
65.10446	0.5
69.68891	0.5
91.05460	2.9
92.21150	2.0
106.33771	0.6
119.04956	5.0
137.05992	0.7
147.04411	1.3
149.05980	33.4
153.01183	0.6
160.55528	0.5
163.03967	1.3
164.07069	1.0
164.76459	0.5
174.05408	4.4
174.10077	0.7
175.03862	2.8
192.06551	100.0
199.07243	0.6
203.72083	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	192.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84617	0.1
53.06620	0.1
57.49283	0.1
59.76570	0.1
60.15883	0.1
62.89787	0.1
65.03960	0.1
67.05492	0.1
68.74529	0.1
69.03455	0.2
69.07061	0.2
81.49244	0.2
85.59126	0.1
93.07047	0.2
105.03336	0.1
108.08138	0.2
118.06540	0.1
127.12413	0.2
131.97462	0.1
132.04443	0.2
132.08945	0.2
132.95807	0.4
134.05994	1.6
136.07578	0.5
146.06027	0.2
147.06786	0.8
149.98508	0.1
150.96907	0.3
160.03987	0.2
162.05502	0.8
164.07066	12.9
171.40384	0.1
174.05540	0.1
174.13622	0.5
180.90404	0.1
192.06555	100.0
192.14572	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	192.1019
Annotation	Ephedroxane
Peak:m/z	Relative Intensity
52.05833	0.3
64.39936	0.2
65.54265	0.2
67.05506	0.3
70.95898	0.3
72.93825	0.3
80.36784	0.3
89.40297	0.3
94.06582	0.7
103.04000	0.3
104.81723	0.3
106.14173	0.3
111.98437	0.7
113.44819	0.3
120.08112	0.6
129.99507	0.4
131.97467	1.8
132.95840	3.7
140.76614	0.3
146.05997	3.2
146.09665	1.4
149.08379	0.6
149.98505	1.1
150.05501	0.3
150.96892	3.7
155.97397	1.6
173.98439	2.3
174.05554	0.4
177.07849	25.0
191.99545	1.3
192.10196	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	192.1382
Annotation	DEET
Peak:m/z	Relative Intensity
51.96460	0.5
66.23303	0.4
69.07058	1.0
72.04518	4.1
90.20919	0.4
90.52248	0.5
91.05496	1.1
93.39179	0.4
99.23352	0.5
100.07637	7.1
109.06529	2.9
119.04944	100.0
133.09148	0.5
155.91336	0.5
192.06537	1.8
192.13821	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	193.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32255	0.2
55.01868	0.2
55.05523	0.2
67.01864	0.3
67.05507	0.8
68.99821	0.2
69.07053	0.3
72.49931	0.2
78.40784	0.2
79.05491	0.9
81.03423	1.5
81.07053	0.4
85.02899	0.3
91.05473	2.4
93.07022	1.1
95.04963	1.2
95.08601	0.4
99.63223	0.2
105.07044	4.6
107.04964	0.2
107.08634	0.2
109.06524	0.3
119.08563	1.1
123.08066	0.2
125.05950	0.4
128.29875	0.2
131.08530	0.7
133.06487	2.6
133.10126	6.1
137.05934	0.4
137.63937	0.2
147.11691	1.4
149.09613	0.9
154.02252	0.2
161.05994	2.6
169.04922	0.2
175.11174	1.0
175.14806	0.4
193.04964	100.0
193.12077	1.9
193.15834	0.3
211.05798	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	193.086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.1
59.05005	1.2
67.05520	0.6
68.93378	0.2
69.03440	0.4
77.03841	0.3
79.05499	4.7
81.03419	0.6
89.03917	0.4
90.04713	0.5
91.05493	3.4
95.04983	1.6
95.08614	0.4
103.05467	5.7
105.07036	75.3
109.06483	0.3
115.05457	12.5
118.04161	4.3
119.08598	0.4
128.98610	0.7
131.04933	2.1
132.05669	0.6
133.02829	1.5
133.06491	84.8
133.10115	2.9
137.06023	0.4
143.04932	1.6
143.06038	7.0
146.97420	0.5
147.04449	0.3
147.07962	0.4
147.11710	0.5
149.06024	0.3
150.03084	0.4
161.05969	100.0
165.05411	1.4
175.03758	0.3
175.11082	0.4
178.02605	1.8
193.04953	17.5
193.08589	14.0
193.12177	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0859
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
55.01880	3.9
57.66653	0.3
59.37760	0.3
70.06598	0.4
78.88487	0.4
79.05489	4.5
91.05474	2.9
93.07047	0.4
95.04983	0.8
95.08608	0.3
95.31124	0.4
103.05471	6.1
104.06200	0.4
105.07034	77.9
107.04983	0.5
115.05454	12.7
115.06284	0.4
117.91402	0.3
118.04195	4.0
119.08556	0.4
128.98611	0.8
131.04922	2.4
133.06491	85.3
133.10091	1.9
134.03645	0.4
142.68983	0.4
143.04968	1.3
143.05991	6.9
146.97513	0.4
146.99663	0.4
149.53464	0.4
161.05969	100.0
165.09061	0.4
169.99091	0.6
193.04919	3.4
193.06808	0.4
193.08578	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	193.1223
Annotation	Sedanonic acid lactone
Peak:m/z	Relative Intensity
53.03965	1.3
55.01881	1.1
55.05512	4.7
57.03449	1.1
59.19559	0.8
62.63314	0.8
62.97520	0.8
67.05513	16.4
69.03436	0.9
69.07078	1.1
69.11540	0.9
71.04992	1.6
71.54353	0.8
77.20350	0.9
79.05502	12.5
81.03427	100.0
81.07061	12.5
83.04975	1.9
83.08623	12.9
85.38237	0.9
91.05489	18.7
93.07045	9.1
95.04967	44.4
95.05586	1.5
97.02903	1.2
97.06554	1.2
104.12757	1.1
105.07034	12.4
107.04961	11.2
107.08588	2.3
109.06506	1.9
111.04422	1.6
111.08093	4.7
117.07026	1.3
119.08591	11.2
121.06522	1.7
121.10144	4.1
129.07007	8.9
131.08588	8.7
133.06502	3.7
133.10139	5.6
137.09505	1.2
142.07806	1.7
147.08055	3.8
147.11702	6.3
149.09618	5.4
156.54179	1.0
157.10103	8.4
175.11156	11.9
192.65335	0.9
193.12294	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	193.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98579	0.8
55.01905	1.0
55.05506	4.4
65.87972	0.9
66.09654	1.0
67.05508	12.5
69.07060	6.1
71.04991	4.7
75.56305	0.9
78.36003	0.9
79.05502	17.4
79.76446	1.0
81.03405	8.1
81.07060	20.8
83.04984	9.7
83.08610	5.9
85.06530	1.0
91.05483	23.1
93.07042	18.5
95.04386	1.7
95.04965	34.0
95.08612	9.4
97.02861	1.0
97.06512	4.1
97.76521	0.9
105.07037	17.0
107.04948	5.5
107.08605	21.4
109.06506	13.1
111.04433	26.1
117.07005	2.3
119.08585	14.5
121.10156	5.2
123.08039	1.8
123.11697	6.4
129.06984	10.2
131.08546	9.0
133.06505	4.3
133.10130	32.3
134.88794	0.9
135.08051	20.6
135.11691	1.2
142.07817	1.2
146.97417	1.5
147.08008	1.1
147.11687	26.0
149.09627	10.9
151.11172	26.9
157.10124	12.9
165.12708	7.5
175.11177	21.7
193.12238	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	193.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67879	0.9
55.01880	1.0
55.05501	2.6
57.08450	0.9
67.05510	9.3
69.07050	5.8
71.04988	6.5
77.88067	1.1
79.05487	14.4
81.03418	4.7
81.07062	16.3
83.04978	5.2
83.08616	2.1
85.06534	2.1
91.05479	22.9
93.07029	20.7
95.04964	37.3
95.08598	8.6
97.06509	4.5
105.07030	16.5
107.04936	5.5
107.08586	19.1
109.06531	11.8
111.03727	1.5
111.04438	20.9
117.07026	2.4
117.37382	1.1
119.08596	11.2
121.06482	1.2
121.10126	5.4
123.08053	1.4
123.11681	4.5
129.06970	6.7
131.08562	9.1
133.06534	1.7
133.10120	36.3
135.08052	24.2
142.07845	1.7
145.58620	1.0
147.08063	2.2
147.11664	23.5
149.09641	11.1
151.11159	24.5
153.37227	1.2
157.10114	11.2
165.12721	6.0
175.11169	25.5
190.15434	1.0
193.12234	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	193.1587
Annotation	4-n-Heptylphenol
Peak:m/z	Relative Intensity
50.55606	0.4
55.05523	3.8
57.07067	2.1
59.05003	0.8
62.19177	0.5
67.05502	3.2
69.07077	7.0
79.05486	1.1
81.03439	1.2
81.07060	5.1
83.04975	0.6
83.08638	1.2
85.02848	0.6
85.06531	2.0
89.44391	0.5
91.05475	2.9
93.07036	5.5
95.08616	17.4
103.05459	0.5
105.07041	12.2
107.08589	4.5
109.06475	0.8
109.10162	18.8
119.08580	40.5
121.10122	3.7
123.08054	1.0
123.11732	0.7
131.08542	0.9
133.02754	0.5
133.06497	3.6
133.10130	55.0
135.10670	0.7
135.11699	15.8
137.09602	6.5
145.10182	0.6
147.11693	17.5
149.13275	6.1
151.14832	4.2
156.51024	0.5
160.12509	2.6
161.05972	3.9
170.31120	0.5
170.34540	0.6
171.69177	0.5
173.13280	1.0
175.14816	100.0
178.02632	0.5
193.04996	3.9
193.08606	1.0
193.15887	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	193.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28237	1.6
55.05512	9.7
57.07085	2.5
57.64820	1.8
67.05507	11.2
67.29144	1.8
69.03436	7.8
69.07064	12.2
70.13132	1.6
79.05483	2.4
81.07072	19.4
82.76629	2.0
83.04997	20.5
83.08617	9.8
85.06548	2.6
85.49959	2.0
91.05455	1.9
91.84814	1.8
93.07044	11.1
95.08604	40.0
105.07048	9.1
107.08585	30.3
108.21415	2.0
109.06537	14.6
109.10160	58.7
109.75426	2.0
111.08080	8.2
119.08590	35.3
121.10132	24.3
123.08054	33.0
123.11704	9.0
133.10135	37.7
135.11702	71.3
135.12695	3.2
137.09625	25.3
138.10437	2.3
147.11678	4.0
149.13272	11.5
151.11227	13.5
151.14830	10.4
153.40460	2.0
165.16365	2.8
175.14816	41.8
193.15895	100.0
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	Unknow
Peak:m/z	Relative Intensity
53.88666	0.6
55.05516	5.8
55.52800	0.6
56.22234	0.6
57.07076	1.9
65.85619	0.6
67.05506	4.8
69.07073	6.0
71.08618	1.2
79.05494	1.3
81.07071	10.0
83.08627	1.6
85.06528	1.6
91.05495	5.6
93.07042	9.8
95.08614	12.8
99.08087	3.1
105.04353	0.8
105.07038	21.3
107.08598	14.6
109.06514	4.3
109.10164	12.7
110.15206	0.7
119.08581	46.2
119.09435	1.6
121.10143	20.7
123.08068	1.4
123.11716	2.9
131.08580	3.8
133.06522	1.3
133.10127	47.8
135.11682	14.4
137.09627	5.1
145.10120	1.0
146.10881	1.4
147.11699	26.8
149.13248	18.9
151.14798	5.5
160.12445	1.2
161.05937	0.9
166.15773	0.8
173.13309	1.2
175.14816	100.0
186.00597	0.8
193.12160	2.3
193.15897	17.9
209.38286	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	194.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97216	0.2
64.57214	0.2
70.06569	0.2
72.08155	0.4
76.58117	0.2
76.67850	0.2
78.96002	0.2
98.97623	0.9
106.02927	0.3
111.96873	0.3
116.98615	0.5
120.05595	0.4
122.06029	0.3
129.97937	0.3
130.89027	0.2
134.05960	0.5
134.99582	0.3
140.36275	0.2
148.03929	0.4
148.05031	2.8
148.07553	0.3
149.05864	0.2
152.04485	0.4
152.07080	0.9
166.08604	0.3
175.98451	0.4
176.04538	10.2
176.06857	0.3
180.04039	1.1
194.05621	100.0
194.11681	2.9
211.48050	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	194.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12337	0.8
69.35390	1.0
79.98690	1.0
82.67529	0.9
96.05611	6.2
122.07140	2.3
124.05045	4.0
133.06372	1.5
134.07181	7.4
135.07994	1.1
138.06630	30.6
147.07907	3.6
151.07388	6.1
166.13377	5.8
175.53737	0.8
176.11835	7.8
194.12892	100.0
194.28938	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	195.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60499	0.3
53.03974	0.4
55.01879	0.3
55.05519	2.4
55.84202	0.3
57.03432	0.4
58.40393	0.3
60.86333	0.3
67.05511	13.0
68.99793	2.6
69.07079	4.3
71.05006	0.9
71.95246	0.4
79.05502	7.3
81.03429	3.6
81.07062	21.3
83.04974	3.1
83.08625	3.3
85.06550	0.8
85.10188	2.0
89.03918	6.1
89.06031	0.4
91.05481	6.8
92.29041	0.3
93.07049	13.9
95.04974	2.1
95.08620	8.9
97.06535	3.2
99.08106	0.6
103.05489	0.5
105.07030	1.9
107.04957	1.7
107.08601	7.2
107.74635	0.4
109.06561	0.6
109.10135	0.9
109.98946	1.7
111.08092	1.9
112.96716	0.5
117.03383	18.2
117.07030	3.4
119.04886	0.5
119.08587	0.3
121.06504	1.8
121.10147	3.5
125.09628	3.2
130.96306	1.6
131.08559	2.5
133.10124	8.5
134.03607	2.0
134.10492	0.4
135.04408	4.2
135.08070	2.0
135.11703	9.7
145.02847	81.6
148.97368	2.3
148.98482	0.4
149.05977	12.2
149.07068	0.7
149.09590	0.8
149.13263	6.9
151.05072	0.4
151.11215	2.0
153.05441	0.6
153.09099	12.5
153.97856	0.8
154.06268	0.8
159.11676	5.4
162.03064	0.9
163.03883	9.0
163.07454	0.4
171.98943	2.5
177.05464	100.0
177.12735	4.5
180.09320	0.6
186.05482	0.6
195.06448	0.5
195.10139	2.1
195.11725	2.2
195.13824	8.6
206.36954	0.4
208.93271	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	195.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74442	2.7
55.05511	20.1
56.96561	3.9
57.03432	3.9
59.05438	2.7
62.65590	2.9
67.05508	77.0
69.07061	20.9
71.04993	5.0
71.94096	13.8
71.95269	17.3
79.05498	51.6
81.03420	21.4
81.06616	5.5
81.07064	100.0
83.04990	37.0
83.08641	5.3
85.06554	4.7
91.05479	36.2
93.07044	80.6
95.04957	7.4
95.08602	54.7
97.06515	19.0
105.07040	6.5
107.08599	32.5
109.06512	4.4
109.10137	12.1
111.08070	5.6
112.96725	17.2
112.97913	3.4
117.06998	20.0
121.06548	7.8
121.10139	16.3
130.97778	3.7
130.99011	3.0
131.00024	19.6
131.08563	22.3
133.10144	28.5
135.08063	6.0
135.11685	52.6
136.43567	3.0
148.97353	4.7
149.01047	4.3
149.13266	26.2
151.80396	3.5
154.01665	5.9
159.11702	34.0
177.12715	23.4
183.22522	3.5
195.13789	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	195.1378
Annotation	Cnidilide
Peak:m/z	Relative Intensity
52.12197	1.5
55.01881	1.9
55.05518	12.7
57.03434	2.8
58.54929	1.5
58.82922	1.3
67.05183	3.3
67.05511	60.4
69.07059	19.4
71.01360	1.9
71.04986	7.3
71.95261	2.2
79.05502	33.7
81.03423	11.3
81.07062	100.0
83.05001	11.8
83.08611	13.7
85.06540	3.8
91.05477	28.5
93.07040	67.6
95.04961	7.0
95.08596	42.8
97.06540	17.7
97.10152	1.8
99.08084	2.2
105.07028	11.4
107.08595	28.5
109.10140	1.8
111.08078	6.5
112.96691	2.2
112.99191	1.9
117.00594	1.5
117.03397	6.4
117.07041	17.7
119.08604	1.7
121.06493	6.9
121.10141	17.6
123.11738	2.8
131.08560	13.7
133.10117	36.2
135.08073	6.2
135.11691	48.2
144.34959	1.5
145.02870	18.7
148.97386	3.1
149.13263	27.9
151.11172	2.5
159.11713	23.4
165.07092	2.6
177.05478	35.1
177.12735	23.7
180.09232	2.0
195.11708	22.3
195.13805	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	195.1379
Annotation	Cnidilide
Peak:m/z	Relative Intensity
55.05515	12.4
57.03437	4.4
57.07090	2.0
59.92207	0.9
60.53860	1.0
67.05509	60.1
69.07064	17.5
71.01342	1.0
71.04981	5.2
71.95263	1.5
79.05491	29.9
81.03417	13.4
81.07057	100.0
83.04990	14.0
83.08614	14.3
85.06528	5.2
91.05474	26.7
93.07040	67.7
95.04966	6.0
95.08605	34.3
97.06526	16.1
99.08097	2.0
105.07021	10.5
107.08601	29.4
109.06526	1.9
109.10147	5.3
111.08067	7.5
112.96710	2.7
116.67877	1.2
117.07011	15.8
119.08558	1.9
121.06484	5.6
121.10126	13.0
123.11670	1.8
131.08577	13.7
133.10132	33.2
135.08029	4.6
135.11687	38.7
149.09627	2.1
149.13245	34.3
151.11174	5.4
159.11656	26.1
177.12743	15.4
195.11909	3.7
195.13782	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	195.1379
Annotation	Cnidilide
Peak:m/z	Relative Intensity
51.02405	1.2
53.21870	1.1
53.45594	1.3
55.01867	1.2
55.05522	15.1
57.03447	5.9
57.07079	1.4
60.24763	1.1
64.25542	1.4
67.05513	61.9
69.07066	16.6
70.73316	1.3
71.01356	2.0
71.05005	6.0
79.05501	36.7
79.35147	1.2
81.03429	14.6
81.07063	100.0
83.04993	9.9
83.08631	16.2
85.06548	3.3
91.05489	34.8
93.07046	65.3
95.04963	2.8
95.08614	37.6
97.06541	14.7
105.04533	1.6
105.07044	10.0
107.08593	29.7
109.06497	3.0
109.10191	5.8
111.08101	7.8
117.07023	14.9
119.08576	3.1
121.06484	6.9
121.10189	12.1
123.11726	2.6
131.08565	20.5
133.10132	40.2
135.08051	5.9
135.11699	49.6
149.09529	1.6
149.13281	34.3
151.11183	6.7
159.11685	26.6
177.12766	22.4
186.95468	2.0
195.13821	41.3
195.15453	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	195.1379
Annotation	Cnidilide
Peak:m/z	Relative Intensity
55.05516	14.3
57.03457	4.3
57.07082	2.1
57.89673	1.7
59.56903	1.5
67.05508	63.8
67.05839	3.0
69.07072	17.9
71.05006	4.6
73.64792	1.5
79.05492	33.8
81.03426	16.6
81.07058	100.0
83.04995	12.0
83.08630	16.7
85.06557	3.2
87.64080	1.5
91.05473	33.3
93.07037	69.8
95.04968	7.0
95.08607	42.4
97.06538	12.9
97.10226	2.5
105.07044	10.7
105.27499	1.8
107.08587	28.9
109.06556	2.9
109.10206	3.0
111.08102	7.9
117.07014	15.4
121.06526	3.8
121.10146	12.7
123.11771	2.9
131.08528	17.4
133.10121	42.6
135.08064	3.0
135.11681	43.6
149.13249	30.6
151.11223	7.4
151.82655	2.2
159.11673	22.2
177.12735	22.0
195.11981	3.9
195.13841	46.3
195.15764	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	195.1378
Annotation	Cnidilide
Peak:m/z	Relative Intensity
55.01870	2.0
55.05522	14.8
57.03436	5.8
57.07076	1.8
60.26705	0.9
65.27936	1.0
67.05508	65.1
69.03470	1.1
69.07069	23.6
71.01376	1.7
71.04983	6.5
71.94115	1.9
71.95255	5.5
74.09824	1.1
79.05072	1.8
79.05494	27.9
81.03417	12.3
81.07059	100.0
83.04987	10.2
83.08614	15.5
85.06534	4.7
90.66172	0.9
91.05484	29.5
93.07042	67.7
95.04980	7.8
95.08607	37.3
97.06532	15.0
97.10197	1.0
99.08088	2.3
105.07041	6.2
107.07919	1.9
107.08601	31.4
109.06525	1.9
109.10162	7.2
111.08089	8.1
112.96724	4.1
113.09625	1.3
117.07033	13.0
118.00060	1.2
119.08570	5.5
121.06499	7.7
121.10122	15.1
123.08049	2.1
123.11678	4.0
130.96321	1.3
131.08549	14.3
133.10130	34.9
135.08058	4.1
135.11696	41.2
145.02855	4.4
149.06071	1.1
149.09679	1.7
149.13260	29.5
151.11157	4.9
153.09096	1.2
153.97902	1.5
159.11671	26.6
159.12903	1.5
165.07063	1.3
171.98882	1.1
177.05489	6.2
177.12750	20.3
180.09258	1.9
195.11723	13.4
195.13805	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	195.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24490	0.5
55.01863	0.8
55.05521	10.3
57.07080	3.1
59.05008	0.6
64.48363	0.6
67.05522	4.5
69.03436	4.7
69.07072	31.1
71.04995	6.2
71.08635	0.9
71.95621	0.6
74.44181	0.7
79.05497	4.5
81.03458	1.1
81.06615	1.3
81.07064	27.1
83.04985	1.5
83.08627	16.6
85.06544	8.3
89.03938	1.0
89.06018	0.7
93.07043	15.5
95.05010	1.0
95.08610	46.0
97.06576	1.1
97.10182	9.3
99.08099	45.0
105.07059	1.0
107.05042	0.7
107.08598	39.0
109.10159	11.3
111.08078	17.8
111.11742	2.9
113.09636	5.8
117.03377	3.3
117.65339	0.6
119.08548	0.9
121.10144	61.8
123.11680	4.7
125.09628	30.2
130.96289	1.5
133.10188	0.6
135.08055	1.0
135.11688	20.0
137.13266	21.3
139.11166	5.3
145.02861	13.5
148.97368	1.2
149.06024	1.3
149.09668	0.8
149.13272	8.0
151.14850	0.9
152.04654	1.2
153.97960	1.2
163.03899	3.7
167.07007	6.3
171.98976	1.1
177.05467	19.1
177.09137	0.9
177.16388	100.0
182.83743	0.8
195.06537	1.1
195.08398	0.7
195.11775	1.1
195.13774	1.1
195.17462	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	196.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78238	0.4
55.16877	0.3
65.83313	0.5
72.93793	5.5
75.72796	0.4
80.05000	4.2
83.36343	0.4
87.00838	7.7
88.29573	0.4
90.94832	1.0
92.05030	1.5
93.44561	0.5
96.05588	0.6
104.05009	0.5
108.04482	25.3
110.06042	58.2
113.96404	14.5
131.96156	2.1
131.97426	6.3
132.04439	9.0
136.03938	100.0
146.03177	2.3
149.97191	1.1
154.04919	0.5
154.97777	0.6
155.06639	0.5
160.03925	10.2
168.33740	0.6
178.04970	77.0
196.06027	10.2
196.09605	0.9
217.44591	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	196.1081
Annotation	alpha-[3-(Nitrosoamino)propyl]-3-pyridinemethanol
Peak:m/z	Relative Intensity
72.93788	2.6
96.60685	0.6
109.06467	0.7
113.96412	5.7
122.06042	2.6
123.06773	4.4
131.96167	0.7
131.97464	3.1
136.07585	3.2
137.06006	2.3
139.06281	2.5
152.07063	9.6
152.08148	1.1
154.08627	20.6
155.07028	0.9
179.08142	45.7
180.07626	7.8
181.08492	5.0
188.96228	0.7
196.10812	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87860	0.3
93.07020	0.7
95.08619	0.7
96.04489	0.7
96.08142	1.8
110.06037	2.0
115.96418	0.8
120.08130	0.6
121.06496	2.4
124.07589	100.0
125.08344	0.5
132.95868	0.6
138.09145	20.4
148.07489	0.4
149.05980	1.5
151.97014	0.6
156.97682	0.5
166.08620	10.4
167.07100	0.6
174.98708	0.5
180.10181	0.8
198.11261	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	198.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04563	0.6
69.07085	2.4
70.95859	0.3
71.95894	0.4
72.93784	0.3
73.06567	0.7
79.05492	0.4
81.07005	0.3
82.06609	0.3
82.26066	0.3
84.05634	56.1
85.02934	0.3
86.04001	0.3
93.07003	0.6
98.73562	0.3
107.08616	2.2
109.06537	0.4
110.06037	0.7
111.98454	0.5
112.98753	0.6
115.96479	0.4
118.58297	0.3
121.41790	0.3
124.03938	1.3
124.08671	0.4
125.09633	2.2
132.95848	2.1
133.96054	1.6
135.08075	1.3
138.05495	3.1
150.96869	2.4
151.96992	0.7
152.07085	1.6
152.11813	5.3
153.09099	2.5
155.97435	1.5
156.97722	2.2
163.07570	1.1
166.04938	2.8
173.98529	0.7
174.98720	1.9
175.01782	0.4
180.06534	1.6
180.11375	1.1
181.08629	0.6
198.07555	1.5
198.12381	100.0
199.09627	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	198.1237
Annotation	Nitrilacarb
Peak:m/z	Relative Intensity
55.01880	0.2
56.27771	0.2
57.04552	0.4
69.07082	1.6
73.02930	1.0
73.06567	0.5
74.82244	0.2
82.87253	0.2
83.04871	1.8
83.05295	0.2
84.05634	27.1
84.53554	0.2
96.05603	1.0
97.06492	0.4
110.07135	0.3
111.98465	0.3
112.07586	0.2
115.96427	0.2
132.95848	0.9
133.96049	0.5
138.05486	0.3
150.96866	0.4
151.97031	0.3
152.07062	1.4
152.10640	0.5
152.11829	9.5
156.97600	1.0
166.17787	0.2
174.98743	0.8
175.01868	0.3
180.11307	1.3
198.12383	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34829	1.0
54.21222	1.0
54.56136	1.0
55.01884	1.5
55.05503	6.6
55.40890	1.0
57.03433	5.8
57.07071	7.9
58.06582	1.9
67.05508	19.6
69.07072	84.4
70.06592	2.1
71.04984	5.2
71.08630	4.8
72.08154	6.1
79.05501	17.8
81.07058	20.6
82.06546	1.9
83.04976	7.2
83.08622	15.9
84.08157	1.5
85.06551	4.6
86.06085	10.5
86.09673	1.2
91.42628	1.1
93.06487	1.6
93.07046	32.4
95.08607	15.9
96.08116	5.5
97.06527	29.7
100.07621	19.0
107.08606	36.6
109.09013	1.5
109.10136	8.8
110.09672	1.7
111.08092	14.9
111.11720	20.2
114.09174	14.9
121.10140	8.8
128.14359	6.3
135.11697	89.1
145.10112	2.6
152.14334	69.2
152.15569	2.6
153.12738	32.5
163.11185	9.6
170.15416	17.5
180.13841	5.7
181.12230	5.2
191.83371	1.3
197.98787	1.4
198.14886	100.0
199.13243	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	198.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08249	0.9
52.78690	0.9
55.01879	2.3
55.05517	9.8
57.03435	7.7
57.07080	10.7
58.06583	2.2
60.36274	1.4
64.66290	1.0
66.66188	1.0
67.05509	23.8
67.51301	1.1
69.03433	1.3
69.07071	86.9
70.06574	1.7
71.04990	7.3
71.08625	9.6
72.04515	2.0
72.08152	6.9
74.93829	7.0
79.05485	16.0
81.07064	23.5
82.04336	1.0
82.06557	2.8
83.04981	6.0
83.08621	21.2
84.08156	1.6
85.06556	2.1
85.10149	1.4
86.06069	8.5
86.09720	1.2
91.05468	1.5
92.21471	1.3
93.07043	37.6
95.08611	26.1
96.08118	6.7
96.08910	1.2
97.06535	30.4
97.10174	2.3
98.06815	1.2
100.07621	18.2
105.07021	1.2
107.08595	38.6
109.10139	13.0
110.09686	2.2
111.08088	13.4
111.11705	19.9
111.98438	1.4
114.09160	11.8
115.96436	21.9
117.07084	1.7
119.08544	2.1
121.10136	11.1
128.14357	5.1
132.95840	1.6
133.97498	8.2
135.11690	85.4
137.09682	1.4
142.31036	1.2
145.10124	4.6
150.96878	2.0
152.14345	77.1
153.12744	37.1
156.97610	1.6
163.11127	11.4
168.13342	1.2
170.15378	20.7
173.44138	1.2
174.98685	2.0
180.13753	1.9
181.12242	1.6
198.14894	100.0
199.13251	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	198.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88799	1.4
55.05517	19.6
56.96564	1.2
57.03445	1.7
57.07073	14.9
57.48245	1.2
57.93576	1.4
67.05518	2.0
69.07066	23.6
71.04973	1.6
71.08635	7.4
72.08157	1.8
74.93837	25.0
75.08528	1.7
76.99092	1.5
77.86032	1.3
79.05498	2.2
81.07073	17.7
81.41129	1.1
83.08625	51.1
85.06546	3.3
86.06075	8.9
86.09734	1.6
90.58740	1.2
92.94877	6.4
93.07040	7.1
95.08628	13.0
97.06517	11.2
97.10171	34.1
100.07623	13.7
107.08601	16.8
109.10157	7.0
111.08061	10.0
114.09160	11.0
115.96442	100.0
116.10785	1.7
116.97206	2.1
121.10159	11.4
123.11728	1.5
125.09625	6.3
128.10745	7.4
133.97482	35.0
135.11703	3.5
139.14842	1.8
142.12309	2.8
156.17488	2.8
156.99100	2.1
163.14803	35.2
181.15849	18.1
198.18521	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	198.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92178	0.9
55.05521	12.4
56.96561	1.0
57.03430	1.1
57.07085	9.7
57.93568	1.2
67.05483	2.0
67.98827	0.9
68.22354	0.9
69.07075	18.3
71.04974	1.4
71.08623	2.1
72.08144	1.0
73.56949	1.0
74.93167	2.0
74.93829	22.8
75.79903	1.1
81.07050	7.0
83.04993	1.4
83.08624	27.8
85.06544	1.5
86.06062	5.0
92.94873	7.9
93.07030	6.0
95.08618	8.3
97.06539	8.1
97.10161	17.7
99.08110	1.3
100.07624	7.9
107.08564	9.8
109.10139	4.3
111.08089	6.7
114.09167	11.7
115.96434	100.0
116.97202	1.3
121.10132	6.0
123.11729	1.8
125.09647	5.3
128.10704	4.9
133.97473	40.3
135.11684	2.0
137.39006	1.1
139.11125	1.2
139.14775	1.3
156.17465	1.7
156.99081	5.1
163.14813	21.5
181.15846	11.8
198.14955	1.6
198.18523	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	198.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14006	1.5
53.97433	1.5
55.01874	2.1
55.05517	48.5
57.03439	2.4
57.07091	32.4
57.42763	1.3
67.05505	11.1
69.03428	2.6
69.07073	48.5
71.04996	3.2
71.08633	13.3
72.08140	6.9
74.93831	19.4
79.05490	3.6
81.07057	30.1
83.04967	3.0
83.08627	100.0
85.06539	10.1
85.10175	3.1
86.06078	16.7
86.09700	2.2
90.75112	1.5
92.94873	3.3
93.07049	15.7
93.48385	1.8
95.08613	27.7
97.06542	21.0
97.10168	66.6
99.08104	2.0
100.07622	28.8
103.36572	1.7
107.08595	31.9
109.10159	10.1
111.08113	21.2
111.11702	1.9
114.09177	27.3
114.12807	1.7
115.96439	88.6
117.25877	1.7
119.58799	1.7
121.10120	25.8
123.11720	3.3
125.09615	16.6
128.10703	9.3
133.97508	20.9
135.11717	10.2
137.13312	1.9
139.11198	1.9
139.14832	3.5
142.12270	1.9
156.13744	1.8
156.17470	8.4
163.14807	74.4
181.15863	43.0
198.18542	77.1
204.93042	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	198.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	35.1
57.07089	27.9
59.66333	2.0
61.16988	2.0
65.81070	1.9
67.05502	9.6
69.07070	48.9
69.23051	2.1
71.04986	3.6
71.08620	5.7
71.95821	2.5
72.04500	2.8
72.08174	3.5
79.05479	2.7
81.07075	27.6
83.08625	100.0
85.06523	2.8
86.06074	17.1
93.07043	12.9
95.08587	21.1
97.06535	26.2
97.10165	51.4
100.07616	21.0
107.08598	23.3
108.81837	2.4
109.10168	5.8
111.08049	20.0
114.09164	23.3
115.96439	22.2
121.10126	20.0
123.11693	8.8
125.09644	14.1
128.10724	13.8
130.54033	2.4
133.97498	3.3
135.11728	9.5
135.70763	2.6
139.14845	4.0
142.12349	4.4
150.96878	3.4
156.17430	9.4
156.97577	2.9
163.14801	54.9
181.15862	33.4
190.23619	3.1
198.14886	10.4
198.18523	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	199.0688
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41891	1.7
68.27673	2.0
82.86061	2.6
89.39808	1.8
117.89514	2.4
134.86368	2.2
138.10509	2.3
142.04741	17.7
154.04761	65.4
178.98717	2.5
181.05798	3.5
199.06868	100.0
199.08548	3.7
219.96123	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	199.0688
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39742	2.0
58.76175	1.9
60.29154	2.1
64.49962	2.0
134.03294	2.0
137.07558	2.1
142.04721	17.2
154.04739	61.0
199.06851	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.069
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25159	1.2
56.96563	2.5
65.92913	1.8
69.07042	1.7
70.06601	2.1
72.08154	13.4
82.99862	1.4
98.07188	12.3
98.97585	35.3
116.97239	27.8
116.98606	18.4
124.03734	2.9
131.27893	1.7
131.99541	7.7
134.95818	2.5
134.99660	7.4
135.08054	3.1
139.06206	2.0
139.30492	1.6
140.00168	2.1
152.96980	3.8
157.97504	3.8
158.01253	2.2
167.04323	1.7
168.62859	1.6
175.98553	25.5
190.91055	1.6
199.06900	100.0
199.14568	3.8
207.51901	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	199.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44023	1.1
60.05362	1.4
60.05653	49.4
69.07065	35.6
72.08156	84.2
96.86013	1.4
97.07637	2.8
97.76718	1.5
103.78211	1.6
114.10286	39.7
116.98607	1.5
124.48454	1.3
128.11832	40.5
131.12910	19.1
150.53421	1.6
157.16991	2.2
182.16483	3.2
188.71823	1.3
199.19174	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05656	46.3
69.07072	37.9
72.08158	100.0
97.07644	3.0
98.49808	1.1
98.97565	5.5
108.31703	1.0
114.10277	42.5
115.81406	1.2
118.57348	1.1
128.10934	2.0
128.11836	42.7
131.12920	20.9
131.99481	1.2
140.14317	2.0
157.17036	2.0
182.16527	5.6
199.19170	98.1
213.12260	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	199.1917
Annotation	Guanethidine
Peak:m/z	Relative Intensity
59.43975	1.0
60.05653	39.2
60.07213	1.2
69.07073	32.4
72.08159	77.3
91.57643	1.1
97.07657	5.7
105.30372	1.2
114.10289	40.4
120.72990	1.2
128.10928	2.1
128.11835	41.2
128.69312	1.3
131.12920	21.5
140.14296	2.7
150.17805	1.2
157.17017	1.6
182.16516	4.8
197.38969	1.2
199.19179	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.1281
Annotation	Ecgonine methyl ester
Peak:m/z	Relative Intensity
55.01883	1.2
56.05026	2.3
56.96564	6.9
57.03447	3.2
58.02959	1.1
59.14188	1.1
60.05653	5.3
61.17770	1.2
67.39089	1.2
68.05032	3.1
69.03428	6.8
69.07076	11.6
69.30685	1.3
70.02931	1.4
70.06596	13.3
71.77354	1.2
72.04481	1.3
72.08153	2.0
72.93798	2.6
73.02922	1.4
74.15059	1.2
74.45188	1.2
81.07040	1.3
82.06565	1.3
84.04512	10.5
84.05637	2.3
84.08150	13.8
85.02912	12.2
86.06065	7.6
86.07207	1.7
86.09705	16.7
87.04477	43.6
87.05601	2.5
90.94847	2.4
95.04935	1.4
96.05624	26.8
96.08136	1.4
97.02877	5.8
97.06509	2.1
98.06043	7.3
98.07146	2.0
98.09702	32.2
98.97585	38.5
99.97910	1.4
100.02478	2.3
100.07620	8.3
100.11246	1.8
103.03934	8.2
109.01396	1.4
110.06009	1.7
110.07168	1.6
110.09657	1.9
110.28706	1.4
111.84679	1.1
112.04004	1.3
112.07601	6.9
112.08772	1.4
113.96397	6.0
114.05537	8.3
114.06657	29.5
116.07043	2.5
116.97236	7.1
116.98617	38.3
117.97580	2.7
117.98924	1.8
118.03503	2.4
118.94379	1.4
119.01883	1.8
122.06032	7.2
123.06348	5.7
124.08667	1.8
128.07089	38.3
128.10703	11.2
129.02988	1.4
129.10245	5.4
130.08710	1.8
131.01912	5.4
131.97447	3.0
131.99554	2.2
133.03455	1.9
134.99663	25.3
136.07602	2.6
137.05972	1.9
137.07964	1.6
140.07063	16.7
140.08162	5.9
140.10764	1.4
141.07498	11.6
141.10213	1.5
144.06546	1.5
149.02985	2.0
149.05371	1.2
151.04514	2.2
153.00696	6.2
154.03494	8.4
154.08646	7.3
154.09747	6.5
154.12267	2.4
155.09003	5.7
156.07759	1.9
157.06131	1.7
158.01268	2.7
158.08066	2.0
158.09259	5.4
158.97437	6.6
158.99574	2.4
164.07108	2.0
165.07478	1.6
168.07697	3.1
170.09247	2.1
172.04568	1.8
175.11928	2.9
175.98576	1.6
176.98537	7.1
177.00714	6.5
177.02444	13.9
182.02969	5.8
182.09294	57.2
182.11755	4.3
183.08533	10.8
195.01700	2.0
195.03535	6.3
200.04073	12.7
200.05461	2.5
200.07054	3.2
200.10323	100.0
200.12830	91.1
200.14153	3.6
200.20058	1.9
218.05096	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	200.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96112	0.4
53.66553	0.4
53.67167	0.4
55.01884	0.5
55.05520	6.9
55.13818	0.4
56.05047	5.0
57.03442	0.8
67.05524	1.4
68.05034	1.0
69.07057	0.7
70.06603	0.7
71.08633	0.9
72.04524	25.9
73.02914	1.0
74.02460	0.6
74.06076	2.8
79.05490	0.8
81.07072	5.8
82.06599	3.4
83.08626	3.1
84.04514	3.4
85.02897	0.7
88.03996	1.8
95.08601	0.4
96.08138	0.8
97.08916	2.9
98.09705	0.8
98.97571	2.3
101.26211	0.5
102.05538	1.9
108.08110	1.1
110.09668	3.5
112.59663	0.5
116.07063	2.1
116.98643	1.8
117.95953	0.6
124.11217	3.4
130.05005	9.0
134.99689	0.9
136.11189	2.5
142.12305	0.6
154.12273	4.3
159.27199	0.5
160.81825	0.4
185.92456	0.4
200.12827	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	200.128
Annotation	N-Hexanoyl-L-homoserine lactone
Peak:m/z	Relative Intensity
54.59703	0.7
55.05522	6.7
56.05026	4.4
72.04520	28.0
74.06081	1.1
79.05493	1.0
79.80506	0.8
81.07030	4.3
82.06565	3.4
83.08602	1.6
84.04523	3.0
86.18606	0.9
90.15318	0.8
97.08922	1.5
102.05531	1.4
110.09645	5.0
116.98607	1.0
124.11223	4.0
126.09144	1.2
130.04999	8.7
136.11241	0.9
142.12277	1.8
154.12265	3.8
158.08179	1.0
200.12796	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	0.2
56.05038	0.4
60.05656	0.3
61.04048	0.8
71.04995	8.1
75.58973	0.2
81.07066	6.3
83.08649	0.2
84.94377	0.2
86.03547	0.7
98.03528	2.4
98.09697	9.3
98.97578	1.6
111.76113	0.2
112.05106	1.4
113.09654	3.4
116.98621	1.2
117.95945	0.2
126.09145	0.2
130.12282	100.0
134.99699	0.7
140.11842	0.8
146.14510	0.2
158.11794	0.7
168.11310	11.9
172.14441	10.1
172.47404	0.2
200.09204	0.3
200.13950	15.1
201.56857	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	200.1645
Annotation	11-Nitro-1-Undecene
Peak:m/z	Relative Intensity
53.35389	0.7
55.05519	8.9
57.07077	1.5
57.18328	0.6
67.05511	40.2
69.07070	20.4
71.05000	15.0
71.08607	0.6
71.22794	0.7
73.91928	0.7
75.44245	0.7
79.05500	6.1
81.07063	100.0
83.04994	1.4
83.08607	6.7
83.13696	0.8
84.10757	0.7
85.02882	0.9
85.06550	27.2
89.89158	0.8
91.05485	8.4
93.07052	4.6
95.08611	96.2
97.06538	5.1
97.10159	1.6
98.97598	3.7
99.08078	5.7
105.07048	8.3
107.08617	3.7
109.06569	1.0
111.40726	0.7
116.98615	1.7
117.95976	1.2
119.08556	9.6
121.10132	6.8
123.11735	9.7
127.07568	1.0
134.99690	1.4
137.13300	7.6
147.11693	26.8
165.12764	16.5
180.94666	0.7
182.15413	1.6
183.13824	11.2
200.09198	1.0
200.12798	1.2
200.16473	5.3
200.18140	0.8
200.20120	2.9
201.14842	7.3
216.07256	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	200.1644
Annotation	11-Nitro-1-Undecene
Peak:m/z	Relative Intensity
55.05523	6.9
57.03446	1.3
62.08324	0.9
67.05511	41.7
69.07066	21.5
71.04993	14.2
71.08604	0.8
72.13201	0.8
75.79964	1.0
76.93354	3.8
79.05492	4.1
81.07063	94.0
83.04981	1.5
83.08622	7.2
85.06023	1.1
85.06542	30.0
85.07024	1.6
91.05486	6.5
92.20921	1.6
93.07050	4.1
95.08607	100.0
97.06534	1.9
97.10168	3.9
99.08102	5.9
105.07046	8.2
106.02238	0.8
107.08598	2.0
116.97231	2.3
117.95988	14.4
117.97555	1.0
119.08590	12.0
121.10120	8.4
123.08134	1.6
123.11703	7.5
129.35707	0.9
131.99612	1.1
135.97009	4.7
137.13274	6.9
147.11685	28.1
153.12729	0.9
165.12755	24.1
175.98563	1.7
176.15065	1.0
176.98792	4.4
182.15445	1.5
183.13812	13.1
185.28740	1.0
200.16461	6.2
201.14842	8.1
203.90332	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	200.1644
Annotation	11-Nitro-1-Undecene
Peak:m/z	Relative Intensity
55.05523	6.9
57.03446	1.3
62.08324	0.9
67.05511	41.7
69.07066	21.5
71.04993	14.2
71.08604	0.8
72.13201	0.8
75.79964	1.0
76.93354	3.8
79.05492	4.1
81.07063	94.0
83.04981	1.5
83.08622	7.2
85.06023	1.1
85.06542	30.0
85.07024	1.6
91.05486	6.5
92.20921	1.6
93.07050	4.1
95.08607	100.0
97.06534	1.9
97.10168	3.9
99.08102	5.9
105.07046	8.2
106.02238	0.8
107.08598	2.0
116.97231	2.3
117.95988	14.4
117.97555	1.0
119.08590	12.0
121.10120	8.4
123.08134	1.6
123.11703	7.5
129.35707	0.9
131.99612	1.1
135.97009	4.7
137.13274	6.9
147.11685	28.1
153.12729	0.9
165.12755	24.1
175.98563	1.7
176.15065	1.0
176.98792	4.4
182.15445	1.5
183.13812	13.1
185.28740	1.0
200.16461	6.2
201.14842	8.1
203.90332	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	200.1643
Annotation	11-Nitro-1-Undecene
Peak:m/z	Relative Intensity
55.05515	9.2
55.05733	0.9
55.63123	0.9
56.51656	0.8
57.03451	1.2
57.07070	2.2
57.92367	0.8
61.27123	0.8
65.77318	0.8
67.05508	42.3
69.07071	22.8
71.04706	0.9
71.04994	15.0
79.05504	6.7
81.07063	95.3
83.04966	2.0
83.08613	7.4
83.27853	0.9
85.06073	1.8
85.06545	27.7
88.07644	1.0
89.47734	1.0
91.05481	8.3
93.07043	3.8
95.08607	100.0
97.06532	6.6
97.10179	2.0
99.08069	7.2
105.07034	7.9
107.08607	2.0
109.10143	1.6
117.95995	1.7
119.08595	9.9
121.10124	10.5
123.11683	9.9
137.13272	9.6
138.83501	0.9
147.11685	31.3
165.12744	24.5
182.15468	2.3
183.13823	14.1
189.10674	0.9
200.14835	1.2
200.16541	7.0
200.20087	3.9
201.14893	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	200.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09492	0.8
55.05517	13.8
57.07067	1.3
59.04994	4.2
62.59249	0.8
67.05500	8.6
69.07072	7.3
71.04694	0.9
71.04996	14.7
73.06562	12.6
79.05492	5.7
81.07059	69.6
81.07549	2.2
83.04948	1.1
83.08627	31.1
85.06543	6.4
91.05453	5.4
93.07061	1.5
95.08603	67.2
95.49694	0.9
97.10168	19.7
98.97594	4.1
99.08105	2.1
105.07021	13.3
107.08588	23.6
109.10167	1.3
111.11695	1.6
116.98634	1.7
117.95959	1.9
119.08575	4.2
121.10133	6.4
123.11697	2.3
137.13254	57.8
147.11678	34.3
155.14299	9.0
165.12703	4.9
183.13802	5.0
200.16463	8.3
200.19987	1.5
201.14853	100.0
201.97656	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	200.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	12.3
57.07074	1.8
59.05004	4.1
65.92574	0.8
67.05506	10.0
69.07066	8.9
71.04997	12.3
73.06554	13.1
76.93363	1.0
79.05491	8.4
81.07060	67.1
83.04999	1.1
83.08624	29.0
85.06540	5.8
85.79559	1.0
91.05482	4.8
95.08608	69.5
97.10168	20.7
98.97565	5.9
99.08116	2.0
103.91677	0.9
105.07031	12.5
105.65677	0.8
107.08598	22.6
109.10126	1.3
110.07230	0.8
111.11724	2.2
116.98624	0.9
117.95995	2.1
119.08570	4.6
121.10126	6.7
123.11687	1.9
134.99641	1.2
136.90854	0.9
137.13257	68.5
147.11690	34.6
155.14293	8.3
165.12758	5.6
183.13792	4.7
200.07036	13.3
200.15004	3.4
200.16624	8.6
201.14848	100.0
209.35938	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	200.2008
Annotation	Dodecanamide
Peak:m/z	Relative Intensity
55.05524	0.8
57.07081	9.1
60.63409	0.7
69.07061	1.7
71.08609	3.7
74.06080	3.8
74.65630	0.9
81.07063	1.0
88.07629	18.6
90.37845	0.9
102.09174	10.2
104.19302	0.9
115.40047	1.0
116.10738	4.3
116.24048	0.8
129.41554	0.9
200.20085	100.0
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
51.73695	0.5
57.07080	17.6
67.05503	0.7
69.07054	0.6
71.08632	10.5
71.60580	0.5
74.89306	0.5
76.93359	3.0
81.07057	2.6
85.06548	0.9
85.10204	3.8
92.21603	0.6
94.94419	0.8
95.08595	2.9
98.97589	0.8
116.97198	1.3
117.95985	12.0
117.97587	0.7
128.42857	0.5
135.97011	3.2
143.08665	0.5
144.21613	0.6
146.06909	0.5
157.02234	0.5
200.15199	1.1
200.23732	100.0
204.13322	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.7
57.06820	0.8
57.07082	16.0
57.40421	0.5
58.35418	0.5
59.86446	0.5
62.60000	0.6
67.05496	1.3
69.07041	0.7
71.08627	9.4
76.93371	5.0
81.07045	5.4
85.06534	0.7
85.10170	4.6
89.03203	0.7
94.94382	1.3
95.08602	5.2
98.97572	1.3
111.23131	0.5
114.98235	0.7
116.97214	3.0
116.98557	1.0
117.95979	19.7
135.96997	8.1
165.12679	0.8
175.98505	1.4
176.98830	1.2
200.23720	100.0
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
57.07082	15.9
60.04519	0.7
66.15608	0.5
67.05508	0.8
67.18593	0.5
69.07059	0.6
70.98111	0.8
71.08636	9.8
76.69444	0.5
76.93372	4.5
81.07037	2.7
83.94183	0.5
85.10181	5.6
94.94422	0.9
95.08613	2.3
98.97565	0.9
110.11297	0.6
114.86796	0.5
116.84997	0.6
116.97224	1.1
117.95985	13.2
117.97565	0.9
135.97050	4.2
147.11729	0.7
150.06212	1.0
165.96899	0.5
166.07487	2.1
175.98550	0.7
176.98857	2.1
200.15199	0.7
200.23735	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20165	11.8
54.31376	11.9
58.17270	11.4
58.96938	11.5
60.05651	36.4
70.91000	15.1
72.08160	13.9
73.85890	13.5
82.77951	14.9
84.08134	36.8
85.34753	15.6
86.09756	13.8
100.37019	14.4
112.05114	57.4
118.96755	28.4
126.01859	100.0
126.06679	24.3
127.12310	15.4
133.11536	14.5
133.99226	16.1
140.99515	94.4
156.10197	17.5
158.04489	23.8
160.04602	17.6
177.98074	29.6
184.13329	19.6
201.09447	18.9
201.12335	29.0
219.10498	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	201.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71160	0.5
54.61242	0.6
55.05514	4.4
57.03443	0.6
57.07075	3.0
58.34995	0.5
58.89128	0.6
59.67820	0.6
67.05511	7.8
67.91386	0.6
69.03487	0.7
69.07072	50.3
71.05003	1.6
79.05492	3.3
81.07063	41.5
82.21278	0.7
83.04972	3.2
83.08638	6.2
85.06544	22.0
91.05480	5.2
93.07040	8.6
95.08612	11.8
97.06519	3.6
97.10138	0.9
99.04472	1.1
105.06329	1.2
105.07030	27.7
105.07726	1.3
107.08594	23.0
109.05795	0.6
109.06516	17.7
109.10154	3.1
111.08127	0.7
113.05992	0.8
115.07554	1.6
117.07007	1.4
118.96721	0.8
119.08573	17.5
121.10146	35.2
123.08063	3.0
123.11705	100.0
126.27030	0.8
127.07552	32.9
131.08559	2.7
137.09607	2.8
137.13257	4.4
145.06502	2.7
145.10123	5.3
147.11687	96.4
158.03639	3.0
159.11694	3.3
165.12743	60.2
170.33176	0.6
173.05998	5.5
173.07849	1.0
173.13258	1.2
177.98059	0.9
183.13809	7.2
201.05431	15.7
201.09320	0.9
201.13016	4.7
201.14757	2.9
201.16428	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	201.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.5
57.03446	1.0
57.07072	1.0
60.03191	0.6
60.04534	0.6
67.05505	7.5
69.07069	47.7
71.04987	1.2
79.05484	3.0
81.07059	41.1
83.04973	3.3
83.08617	5.9
85.06544	23.8
91.05474	5.7
93.07049	8.4
95.08599	13.2
97.06532	3.1
97.10191	0.9
99.04445	0.6
101.05974	0.8
103.08162	0.6
105.07030	25.6
107.08588	19.4
109.06523	14.0
109.10152	3.2
111.69131	0.6
116.07818	0.7
117.07017	1.1
118.96757	0.9
119.08575	14.7
121.10139	37.7
121.74306	0.7
123.08047	3.1
123.11700	100.0
127.07547	32.2
131.02768	0.8
131.08556	1.1
136.53661	0.6
137.09608	2.5
137.13234	4.3
141.09184	0.8
145.06506	1.1
145.10104	5.0
145.70439	0.6
147.11681	90.9
158.03572	2.9
159.11647	3.0
160.05264	0.7
165.12738	61.7
173.05983	5.2
173.13127	0.8
183.11610	0.9
183.13797	4.8
186.03055	1.3
201.05429	16.3
201.09189	2.5
201.12740	4.2
201.14708	1.4
201.16383	8.3
224.29028	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12922	0.8
55.01881	1.5
55.05520	13.2
56.04836	0.7
56.05043	11.2
57.07083	1.9
58.06604	6.3
61.34963	1.0
63.16208	1.0
64.02171	0.9
67.05511	14.9
68.05036	8.2
69.07076	13.7
69.12682	1.2
69.75464	0.9
70.02960	1.4
70.06586	9.9
72.08147	6.4
79.05495	32.5
79.59257	0.8
80.05031	2.4
81.07067	25.4
82.06586	31.6
83.05010	1.2
83.07390	3.6
83.08627	1.3
84.04485	2.0
84.08151	3.9
84.83634	0.9
88.43598	1.0
91.05477	4.6
92.20853	1.5
93.07046	84.7
95.05010	1.4
95.08614	26.1
96.08134	30.0
97.08922	0.9
97.10178	5.4
99.65601	1.0
105.07040	6.2
107.08593	11.1
108.45741	0.9
109.08912	2.4
109.10147	2.0
110.09681	6.4
117.07004	1.6
119.08569	2.3
121.10148	32.0
123.08084	2.0
129.07036	1.3
131.08574	10.1
138.12785	100.0
139.11208	1.2
141.06970	1.5
142.81905	1.0
145.10147	5.1
148.11212	5.7
149.09601	5.1
157.10123	2.3
159.11667	1.7
166.12242	20.9
173.06004	3.7
173.13219	2.2
174.95209	1.0
177.98100	1.3
183.11758	2.2
184.13327	11.0
201.05479	12.3
201.09048	2.1
201.12755	24.2
201.16251	8.2
216.82782	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	202.056
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05014	0.6
56.62384	0.5
68.73669	0.6
73.41257	0.6
82.99870	0.9
85.63527	0.7
89.03493	0.6
101.00882	22.1
119.01920	100.0
124.02438	7.2
137.02951	22.8
142.03503	40.7
143.01909	1.0
143.03540	0.8
160.04573	10.6
161.02954	30.3
161.04420	2.1
179.04015	35.5
179.05644	1.2
184.04501	0.8
199.50049	2.8
202.05614	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	202.1436
Annotation	L-2-amino-8-oxodecanoate
Peak:m/z	Relative Intensity
55.05512	5.3
57.07077	2.0
57.82048	0.8
67.05509	5.5
69.03424	1.4
69.07072	18.5
71.04997	1.4
71.08627	1.6
72.04491	0.8
79.05508	8.5
81.07062	15.7
83.04978	5.9
86.06064	5.0
93.07040	20.6
95.08584	8.9
97.06516	9.6
97.10167	23.1
100.07620	7.3
107.08594	6.8
111.11703	6.3
114.09173	1.3
114.12833	2.2
115.91022	1.2
119.08573	1.2
121.10140	57.6
125.09628	1.3
131.08546	4.9
138.11719	1.0
138.12767	30.8
139.11180	43.1
149.09636	12.7
156.13841	21.1
165.57190	1.1
166.12273	6.7
167.10689	3.9
170.07996	1.1
184.13321	100.0
185.11710	1.9
203.12820	1.6
208.71942	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	202.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.9
56.05044	1.3
57.03459	0.6
57.07055	0.6
60.04519	0.7
60.05654	1.2
60.08820	0.5
68.05013	1.0
69.03427	1.3
70.06583	1.2
72.04517	0.7
72.08166	0.7
79.05515	0.8
81.07058	13.4
84.04521	0.6
85.06564	1.0
86.06071	69.5
87.04471	52.9
93.07076	0.5
96.08134	0.6
97.33082	0.6
98.06046	11.5
98.09682	0.8
98.97552	0.6
99.08089	2.7
100.07588	4.6
104.07037	0.7
112.07609	1.2
114.05580	1.2
116.10724	19.1
119.01974	4.1
124.07580	1.3
128.07182	1.9
128.08206	2.7
137.02945	0.8
138.12776	1.3
142.03496	1.0
166.12201	4.1
170.09254	1.1
173.09509	0.6
174.09070	1.0
179.04044	0.6
184.13324	100.0
202.08362	0.7
202.10645	0.8
202.12639	1.4
202.14389	24.3
219.23283	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.1801
Annotation	11-Aminoundecanoic acid
Peak:m/z	Relative Intensity
55.01850	2.1
55.05519	28.5
57.03443	3.5
57.07082	20.0
65.00253	1.5
65.33916	1.2
67.05508	13.3
69.07073	76.6
70.27166	1.4
71.04987	8.0
71.08643	10.7
72.04517	1.5
73.06547	2.2
75.69408	1.2
79.05505	3.5
81.07065	22.0
83.04964	6.3
83.08624	83.3
85.06546	5.3
85.10190	1.8
86.06074	8.2
87.91773	1.5
92.21554	1.5
93.07036	27.9
95.08607	12.3
97.06532	27.2
97.10143	15.0
100.07598	15.2
101.09697	1.6
107.08611	29.2
109.10174	16.2
111.08096	18.3
114.09182	8.3
121.10168	18.7
123.11735	5.8
125.09633	11.5
125.13276	7.4
128.10722	5.7
141.52361	1.4
142.15901	1.7
149.13254	100.0
158.53468	1.5
160.00378	1.5
164.37068	1.5
167.14307	47.1
184.16972	20.9
185.15370	2.3
190.13704	1.5
202.18080	7.1
219.46454	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	202.18
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10068	1.7
50.73569	2.0
51.59552	1.7
55.05272	2.5
55.05516	30.2
57.03435	4.8
57.07077	19.8
61.78781	2.1
67.05511	15.0
69.07069	84.2
69.67559	1.7
71.04984	10.1
71.08630	11.7
72.08126	2.7
79.05488	5.0
81.07059	30.8
83.04984	8.1
83.08623	94.2
85.06558	3.2
86.06065	10.1
93.07027	35.5
95.08606	17.9
97.06519	30.6
97.10159	17.2
100.07608	12.4
107.08591	31.3
109.10136	18.2
111.08075	25.6
114.09175	13.6
115.07621	2.5
121.10130	24.5
123.11705	4.3
125.09599	15.2
125.13251	4.5
128.10670	4.3
138.96565	2.1
142.12297	2.8
149.13251	100.0
167.14288	55.3
172.49031	2.2
184.16925	22.5
185.15370	2.9
189.62912	2.8
199.73004	2.5
202.12202	3.1
202.18202	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	202.2164
Annotation	DDAO
Peak:m/z	Relative Intensity
57.06823	0.7
57.07082	11.9
58.06589	2.6
62.06097	12.5
71.08648	6.2
72.04533	0.6
81.00156	0.6
85.10168	4.2
110.38602	0.5
112.89841	0.5
159.57262	0.6
174.18484	3.0
184.20590	10.1
190.16068	0.6
190.99585	0.6
202.21657	100.0
217.97978	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	DDAO
Peak:m/z	Relative Intensity
51.15253	0.4
52.50273	0.5
53.04380	0.5
56.51366	0.5
57.06827	0.6
57.07082	11.7
58.06608	2.0
58.25312	0.4
60.73449	0.4
62.06100	11.5
71.08630	4.2
71.36256	0.4
73.68517	0.5
85.10178	3.3
174.18529	0.9
175.30583	0.5
184.20625	10.0
202.21663	100.0
213.16852	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	DDAO
Peak:m/z	Relative Intensity
57.07079	8.1
58.06599	2.5
62.06095	12.8
62.47875	0.4
71.08635	3.5
72.59555	0.4
81.17278	0.5
85.10175	3.0
98.03873	0.5
102.99222	0.5
137.07362	0.5
139.11186	0.5
174.18513	1.1
184.20589	8.6
202.21655	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0814
Annotation	IPA imine
Peak:m/z	Relative Intensity
56.05021	0.4
64.77222	0.5
69.07072	0.5
76.00347	0.4
82.13351	0.4
84.08123	0.8
86.09705	100.0
89.49438	0.4
129.13858	0.5
130.06519	18.9
147.11241	0.4
157.07600	85.2
166.17172	0.5
185.07135	4.6
203.08145	57.7
203.13924	2.2
218.16768	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	203.1028
Annotation	Proclavaminic acid
Peak:m/z	Relative Intensity
55.05517	1.3
56.05045	11.3
56.05317	0.5
56.96552	0.3
57.03424	0.4
58.04093	0.2
60.04524	0.5
60.05650	0.5
61.60143	0.2
68.05034	1.5
69.07079	0.4
70.06595	2.3
72.04517	0.4
72.08160	10.7
74.02439	1.0
74.06078	2.2
74.09713	1.0
76.05125	0.4
83.04943	0.2
83.08588	0.2
84.04521	1.5
84.08162	0.5
86.09708	25.6
87.17657	0.2
88.03989	0.3
91.05505	0.3
98.06057	51.9
100.07642	0.3
101.06007	0.5
101.07894	0.3
102.05546	5.7
104.07104	0.4
107.08621	0.2
111.04433	0.4
112.11238	1.5
116.07089	1.3
118.05003	0.3
120.06547	0.2
120.97883	0.3
125.09002	0.2
126.05523	0.3
129.07396	0.4
129.13875	0.5
130.04988	0.5
132.10202	13.4
134.63289	0.2
136.05717	0.3
141.25714	0.2
144.06561	100.0
146.38571	0.2
153.08534	1.0
156.13852	1.1
157.07556	0.4
157.09753	1.1
157.13091	0.4
157.14288	6.1
161.09184	2.9
162.03352	0.4
171.09550	1.4
180.04416	1.3
185.11197	0.3
186.11244	0.5
199.27834	0.2
203.05113	0.3
203.08244	0.7
203.10454	1.3
203.12157	0.6
203.13637	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	203.1277
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
55.01859	1.6
55.05519	34.8
57.57475	1.2
65.77841	1.1
67.05501	10.5
69.03419	7.6
69.07066	7.3
70.93063	1.0
79.05496	13.6
81.07071	9.6
82.07392	1.2
83.04993	2.0
83.08625	31.3
91.05457	6.2
91.37081	1.1
93.07051	8.1
97.10174	100.0
100.46785	1.3
105.07054	1.2
107.08588	31.1
111.08073	1.6
117.07037	1.3
118.29464	1.2
120.96533	15.6
121.10169	1.2
122.10470	4.8
125.09630	90.7
135.08049	11.6
135.98853	5.8
139.13083	1.8
140.11552	1.6
142.07883	1.2
153.09105	9.9
156.96208	2.7
157.12209	4.0
161.96770	4.4
171.10117	1.6
179.97871	12.0
185.13635	11.6
186.37094	1.4
187.43794	1.3
189.11252	1.7
203.12759	25.5
203.14375	5.0
215.84445	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	203.1277
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
51.27133	0.6
53.00304	0.7
55.01876	4.8
55.05529	1.1
56.05056	0.7
57.03444	21.0
59.13418	0.6
62.09156	0.7
67.05509	11.0
69.07067	11.1
71.04999	23.1
71.17334	0.6
76.41493	0.6
79.05499	38.3
80.41519	0.7
81.07061	14.2
83.04982	1.3
85.02901	5.1
85.06541	3.4
86.09697	3.6
89.06070	0.7
91.05482	3.3
93.07050	36.4
95.04982	7.4
95.08620	3.1
97.06541	18.9
99.04465	5.3
104.73214	0.7
104.90094	0.7
105.07036	15.3
107.04960	1.2
107.08599	100.0
107.25965	0.8
109.06511	4.0
111.04389	0.9
111.08104	1.5
121.06476	0.7
121.10143	41.6
123.08080	5.1
125.05993	4.3
125.09652	1.2
127.07560	1.3
131.08560	12.6
139.11195	4.4
149.09622	51.8
160.61139	0.8
162.03419	1.2
167.10677	16.0
180.04642	0.8
203.06860	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	203.143
Annotation	alpha-Amylcinnamaldehyde
Peak:m/z	Relative Intensity
53.36668	0.3
55.05503	1.6
57.07080	0.6
67.05501	2.3
69.07059	2.4
69.08545	0.3
69.35862	0.4
79.05479	1.6
80.17425	0.4
81.07069	4.2
83.04979	0.6
83.08604	0.8
91.05480	2.8
93.07036	2.7
95.08588	4.2
105.07000	4.5
107.08610	3.7
109.06539	0.7
109.10151	2.1
117.06974	0.5
118.41209	0.4
119.08581	10.7
120.96481	0.4
121.09301	0.7
121.10141	12.2
121.79214	0.4
123.08060	0.9
129.07008	0.4
131.08577	0.6
133.10115	9.9
135.08055	0.4
135.11679	1.6
145.10132	2.2
147.08037	0.9
147.11678	6.4
157.10162	0.7
159.11667	0.6
160.12454	1.8
161.09598	3.5
161.13237	7.7
162.03433	0.7
170.10909	2.1
173.09546	1.5
175.11200	0.6
175.14781	4.0
175.69432	0.4
180.04448	1.8
185.13261	2.5
187.11191	2.2
188.11969	2.9
199.71844	0.5
203.14310	100.0
203.17886	11.7
203.21960	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	203.143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23969	0.6
53.38391	0.5
55.05524	0.9
65.40592	0.5
65.52518	0.5
66.84948	0.5
67.05497	2.7
67.76035	0.5
69.07077	2.4
70.94246	0.5
79.05488	2.6
81.07050	4.8
83.08640	1.0
91.05476	8.2
93.07079	5.1
95.04993	0.7
95.08594	5.0
97.10162	1.5
98.65200	0.6
99.08089	0.8
103.66371	0.6
105.07040	18.3
107.08603	3.4
111.08147	0.8
115.27247	0.6
117.07037	5.9
119.08584	19.7
120.96539	8.6
121.06541	1.5
121.10119	1.3
125.09635	1.0
128.06189	1.0
129.07048	4.6
131.08580	3.7
133.10132	5.4
135.41783	0.7
135.98837	2.9
143.08572	8.8
145.10078	0.9
147.08110	0.9
147.11679	2.9
156.96255	2.4
157.08925	0.7
157.10136	4.0
159.11685	5.6
160.08958	0.7
161.09613	1.2
161.13229	2.3
161.96860	0.7
162.03416	3.9
175.11218	1.1
175.14821	3.2
179.97816	8.1
180.04456	3.4
185.13268	15.9
203.14314	100.0
203.17984	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	203.143
Annotation	alpha-Amylcinnamaldehyde
Peak:m/z	Relative Intensity
53.36668	0.3
55.05503	1.6
57.07080	0.6
67.05501	2.3
69.07059	2.4
69.08545	0.3
69.35862	0.4
79.05479	1.6
80.17425	0.4
81.07069	4.2
83.04979	0.6
83.08604	0.8
91.05480	2.8
93.07036	2.7
95.08588	4.2
105.07000	4.5
107.08610	3.7
109.06539	0.7
109.10151	2.1
117.06974	0.5
118.41209	0.4
119.08581	10.7
120.96481	0.4
121.09301	0.7
121.10141	12.2
121.79214	0.4
123.08060	0.9
129.07008	0.4
131.08577	0.6
133.10115	9.9
135.08055	0.4
135.11679	1.6
145.10132	2.2
147.08037	0.9
147.11678	6.4
157.10162	0.7
159.11667	0.6
160.12454	1.8
161.09598	3.5
161.13237	7.7
162.03433	0.7
170.10909	2.1
173.09546	1.5
175.11200	0.6
175.14781	4.0
175.69432	0.4
180.04448	1.8
185.13261	2.5
187.11191	2.2
188.11969	2.9
199.71844	0.5
203.14310	100.0
203.17886	11.7
203.21960	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	203.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	6.0
57.07067	1.2
62.68256	1.3
67.05508	5.5
69.07072	13.2
79.05518	1.4
81.07055	14.7
83.08595	2.8
84.89857	1.4
91.05487	3.1
93.07032	6.8
95.08607	18.3
97.10174	2.1
101.14911	1.3
105.07034	26.7
105.37033	1.3
107.08595	10.8
109.10163	16.4
112.11225	3.1
119.07759	1.8
119.08584	37.2
121.10128	12.3
123.11694	5.3
125.09682	1.2
129.13882	1.7
131.08554	1.7
133.10130	45.8
135.11720	2.2
145.10103	7.4
147.10579	2.5
147.11685	52.4
149.77962	1.1
159.11682	5.6
160.12494	7.4
161.09634	2.0
161.13275	23.6
175.14842	5.1
203.10744	1.8
203.14334	9.0
203.17958	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.2231
Annotation	Thermospermine
Peak:m/z	Relative Intensity
50.85202	0.3
56.05034	0.4
56.61914	0.3
58.06604	8.0
59.05953	0.3
60.96124	0.4
69.07066	1.5
70.06596	2.2
72.08163	6.8
83.05022	0.4
84.08148	17.2
86.09710	51.8
92.21119	0.5
111.04418	0.4
112.11246	100.0
115.12336	0.7
116.07079	0.6
120.02007	0.8
120.08112	0.9
129.10184	0.7
129.13879	79.3
129.72771	0.4
132.10204	28.5
132.14964	0.6
157.07645	2.4
157.13370	5.0
175.07515	0.4
203.08148	2.4
203.10371	0.3
203.13824	5.1
203.22305	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	204.0867
Annotation	N2-Acetyl-L-aminoadipate
Peak:m/z	Relative Intensity
54.03476	2.8
56.05044	91.4
56.73757	1.2
57.03446	3.5
59.58674	1.3
69.03435	1.9
70.06587	7.0
72.04520	13.7
74.06074	19.8
76.72125	1.4
82.02959	8.7
82.06582	6.5
84.04505	8.5
84.08112	1.8
85.02906	7.9
86.06061	21.8
86.09709	9.4
87.10031	10.7
95.06094	1.7
98.06059	62.2
100.03979	41.0
101.06024	2.1
102.05549	94.4
108.04475	1.7
112.07620	2.6
114.04730	2.8
114.05534	85.5
116.07059	1.6
126.05483	2.9
127.03936	1.8
128.03476	1.8
132.10205	2.9
133.10600	12.1
140.07054	7.5
140.08182	8.1
142.04970	2.6
142.08640	1.8
144.06558	100.0
158.08104	13.4
158.13681	1.6
160.06029	46.3
163.01836	19.4
172.10822	9.5
180.04498	1.6
181.02856	14.7
198.85747	1.4
204.06793	3.4
204.08672	19.3
204.13426	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	205.0817
Annotation	Glu-Gly
Peak:m/z	Relative Intensity
51.88472	0.9
56.05040	100.0
57.03423	0.9
58.02955	1.4
58.04068	1.1
58.06588	2.2
60.04522	23.4
61.02918	2.4
61.04026	2.5
69.03400	1.1
69.04527	4.9
72.04482	6.8
72.04868	1.0
72.08150	28.2
73.02896	1.4
74.02439	15.7
74.06078	33.4
74.06487	1.8
75.12329	0.9
76.04721	1.3
76.05124	29.7
76.07608	5.2
78.95257	1.7
81.03386	1.7
82.06595	10.8
84.04031	1.2
84.04502	22.0
85.02895	7.3
85.04004	4.3
85.04793	1.0
94.62250	1.0
97.02266	1.1
97.02898	28.3
97.04003	33.4
98.06001	1.5
99.04428	1.2
99.05572	1.4
99.09194	1.1
100.07601	1.4
102.05537	48.9
109.02837	1.6
111.05499	4.8
114.05511	1.4
115.05035	20.6
118.04952	2.4
118.08616	10.8
119.01843	1.7
119.97858	2.4
120.06509	4.9
123.05491	1.1
123.09150	1.4
124.07497	1.1
126.05487	7.8
127.04012	2.7
127.04977	15.6
128.07050	8.7
130.04984	16.1
139.04996	9.5
141.10201	14.7
142.08659	7.9
144.06552	8.1
148.06035	1.2
153.56096	1.0
157.06044	1.4
158.96246	1.1
159.11243	6.9
160.07097	4.0
163.96756	5.3
169.06090	8.8
170.04396	5.2
170.08055	5.5
177.09734	5.3
181.97853	1.9
187.07082	4.5
187.10710	9.1
188.05415	5.6
188.09062	2.2
205.08092	52.1
205.11122	1.6
205.11908	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	205.0894
Annotation	2-Oxo-8-methylthiooctanoic acid
Peak:m/z	Relative Intensity
53.03970	2.4
55.05524	97.3
56.05038	0.3
58.99597	6.3
66.39999	0.3
69.03443	0.6
77.04860	0.3
83.08629	100.0
85.02910	1.8
85.04002	0.4
86.27254	0.4
86.99062	7.2
101.09662	3.4
105.00115	5.6
105.07013	0.4
107.08585	0.4
111.84471	0.4
115.60993	0.4
118.06564	0.8
119.08611	0.4
119.97866	0.5
121.06525	0.4
130.05022	0.4
132.08087	0.4
135.08078	0.4
140.95253	0.5
141.92143	0.3
141.93434	0.3
144.08067	2.2
145.10123	1.3
146.06026	11.4
149.02319	0.8
159.09160	1.6
159.11656	1.6
163.11180	4.7
163.96893	0.8
170.05974	0.6
173.94939	0.3
181.97849	0.6
187.11194	0.5
188.07069	10.8
205.08260	1.4
205.10245	0.4
205.12213	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	205.0971
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
64.23881	0.4
64.58305	0.4
67.21481	0.4
67.48823	0.4
74.02434	0.8
91.05460	0.4
102.39720	0.4
115.05434	0.6
117.05761	0.6
118.06541	14.7
122.74965	0.4
130.06509	1.7
132.08081	6.6
133.17921	0.4
142.06519	1.8
143.07265	1.6
144.06940	0.4
144.08083	20.4
146.06004	100.0
159.09172	9.8
160.07527	1.7
170.05969	6.8
188.07059	89.7
205.09702	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	205.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
55.05513	1.1
56.43451	0.7
57.07076	1.2
59.52974	0.8
60.04531	0.7
61.95651	0.6
64.99196	0.7
67.05510	1.4
69.03129	0.6
69.03438	8.9
71.04977	1.7
78.95278	4.3
79.05502	1.5
81.03431	1.3
81.07056	4.3
83.04971	3.5
85.02915	8.1
91.05478	5.4
93.07044	9.6
95.04986	6.5
95.08594	3.0
97.02876	3.2
97.06513	0.8
99.04421	1.2
103.05484	0.7
104.23198	0.8
105.07045	10.0
107.04945	3.5
107.08595	9.2
109.02872	1.3
109.06504	6.3
110.54202	0.9
114.49914	0.8
115.05421	1.0
117.07043	7.8
118.06533	1.3
119.08588	14.1
119.97905	6.9
120.08100	6.0
121.06500	6.6
121.10146	15.7
123.08049	1.7
127.03915	1.1
128.06255	1.2
129.06996	1.5
130.07805	1.8
131.08551	4.8
132.08131	0.9
133.06447	1.2
133.10109	5.3
135.08043	7.3
135.11702	15.5
140.95242	2.8
144.08064	2.9
144.09323	5.2
145.06525	4.6
145.10143	27.7
146.06000	16.6
147.08057	13.7
149.02356	9.1
149.05980	11.7
149.09604	1.2
158.15538	0.8
158.96321	3.2
159.08051	1.4
159.11693	24.7
161.06026	1.4
161.09595	8.7
162.10403	4.2
163.07542	7.1
163.11179	100.0
163.96855	8.9
164.02028	1.2
169.10078	1.0
170.05963	1.0
172.08820	3.4
172.51727	0.8
173.06010	1.2
175.07539	0.8
177.05443	1.4
177.09039	1.1
177.12761	8.0
181.97919	5.9
182.03171	1.1
187.07544	1.0
187.11182	20.4
188.07089	16.3
190.09785	0.9
205.04910	3.9
205.08546	4.9
205.12241	96.4
205.15887	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	206.0449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62380	0.3
55.05503	0.3
56.05026	0.4
58.02943	0.4
60.04527	0.5
67.43475	0.3
70.06583	0.4
72.08136	0.4
73.02934	0.6
84.04531	0.5
84.08161	0.4
85.02906	1.4
86.02430	0.7
86.06058	0.8
88.03986	1.7
90.05548	0.5
98.05998	0.5
100.03996	0.6
101.00889	2.8
101.02333	0.5
101.06019	0.7
102.05548	0.5
110.02477	0.4
110.07102	0.5
118.05001	0.6
119.01921	12.6
124.02477	2.9
128.03424	1.4
128.07140	0.7
132.04448	5.8
136.06184	2.4
136.07574	0.4
137.02957	2.8
142.03505	27.9
146.02449	0.4
146.04448	1.7
146.08157	2.1
154.04980	1.7
160.04611	5.9
160.07603	1.5
160.11253	0.4
165.05084	0.5
178.04993	100.0
187.48175	0.4
188.09193	1.4
206.04494	65.9
206.08185	2.4
206.10286	5.2
206.11859	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	206.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21751	0.1
56.44052	0.1
58.49302	0.1
61.77236	0.1
72.93778	0.2
76.07639	0.7
91.05497	0.3
93.07053	0.3
95.04979	0.3
101.00935	0.2
102.36181	0.1
104.04997	21.5
106.01820	0.1
119.01926	1.5
120.04459	0.2
124.02423	0.2
136.07582	100.0
137.03030	0.2
142.02463	0.3
142.03494	4.3
146.06046	0.2
147.06387	0.2
160.02863	0.2
160.04533	0.9
162.15503	0.1
162.77376	0.2
164.07028	0.3
165.00026	0.3
174.06624	18.8
178.09755	5.6
189.07387	0.6
190.08435	0.3
206.09274	6.4
206.11768	3.6
206.13734	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61743	0.3
56.05055	1.8
57.07088	0.6
58.02967	0.5
58.06609	7.1
59.05021	1.9
59.31370	0.3
67.05526	1.2
69.07064	2.2
70.06618	0.3
71.05000	8.6
71.05362	0.4
72.04520	0.4
73.02948	0.4
74.00690	1.6
74.02448	6.5
74.02825	0.4
74.06109	0.5
75.04501	0.3
76.07649	46.5
79.05442	0.4
81.03372	0.3
81.43410	0.3
84.04099	0.3
84.04509	2.2
85.02915	1.5
85.06551	3.3
86.02437	0.5
86.06089	1.3
86.09738	0.3
88.07665	0.4
91.05499	0.3
92.01688	0.5
93.39949	0.3
95.04966	2.9
98.06059	0.6
98.09725	0.3
100.03999	0.4
100.05108	0.7
101.00929	1.7
102.04475	0.5
102.05550	9.9
103.07603	3.2
104.06035	0.5
107.04946	0.6
110.06058	1.3
110.07192	0.4
111.93228	0.3
112.07610	0.4
113.05999	0.4
114.05524	0.7
116.05940	0.5
118.04987	0.6
118.06532	0.4
119.01929	11.2
119.04983	0.5
120.01183	0.5
120.03623	0.3
120.99586	1.6
121.08445	0.4
124.02460	1.3
124.07595	0.6
130.05083	0.3
131.05409	0.4
132.02953	0.3
132.04466	1.6
134.06035	0.4
136.06194	75.4
136.07552	7.1
137.02982	3.1
142.03505	28.1
142.12241	0.4
144.13849	3.1
146.04486	7.1
146.05998	0.6
146.07051	1.1
147.04420	4.7
154.05063	0.5
160.00682	0.4
160.04556	5.8
160.07550	1.2
163.05011	0.4
165.05324	0.4
170.11748	7.7
174.07713	5.2
178.04982	16.1
178.09792	0.5
179.04053	0.4
184.14365	0.3
188.04749	0.7
188.07111	0.5
188.09152	1.3
188.11037	0.5
188.12810	12.8
197.05200	0.7
206.04428	10.8
206.10321	100.0
206.11794	9.7
206.13834	21.1
206.17473	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	206.1388
Annotation	Pantothenol
Peak:m/z	Relative Intensity
56.01394	0.8
56.05023	0.7
57.07073	1.1
58.06357	0.9
58.06610	17.5
59.04985	4.2
67.05502	1.7
68.63895	0.6
69.07061	4.7
74.02446	14.1
76.07646	100.0
84.04487	3.8
85.06559	7.7
86.06075	1.0
87.08100	0.8
88.07615	1.0
95.04971	6.0
100.05094	3.0
101.00871	1.1
102.05542	24.0
103.07572	6.4
107.04938	1.4
107.24425	0.6
111.49532	0.6
113.05978	1.5
119.01923	6.5
121.08441	0.9
124.02470	0.9
132.08127	0.9
136.06163	4.6
136.07565	22.1
137.02896	0.9
142.03500	12.7
160.04564	4.2
167.85007	0.6
170.11736	18.7
178.04892	0.9
178.09772	1.3
188.12816	29.4
204.87885	0.7
206.04388	0.8
206.09195	4.7
206.13867	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	207.0653
Annotation	Scoparone
Peak:m/z	Relative Intensity
52.98679	0.7
56.57229	0.8
65.03926	1.5
66.97988	0.8
67.17689	0.8
67.45564	1.0
77.03928	2.0
77.38290	0.9
89.03945	1.2
91.05483	49.7
91.06055	1.7
102.85662	0.9
103.05482	1.2
108.05782	1.1
117.03387	1.0
118.04144	3.4
119.04945	100.0
119.08578	1.0
132.02065	4.7
135.04492	1.2
136.05199	1.8
145.02899	2.1
146.03642	1.1
147.04411	89.3
149.02364	4.3
157.03967	10.9
164.04726	7.5
165.96492	1.6
174.03168	1.7
175.03900	96.6
179.06996	7.4
189.12743	1.2
192.04176	36.4
207.06520	63.4
207.08481	2.2
207.10313	1.4
207.13873	1.4
208.05836	1.0
219.85976	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	207.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.6
55.05513	1.9
55.46421	1.0
56.43675	0.9
57.03442	1.0
57.95277	0.9
67.05513	11.1
69.03428	6.1
71.04988	1.8
76.28068	1.0
79.05473	3.8
81.07072	5.6
84.83797	0.9
91.05479	14.1
93.07034	8.0
95.04984	8.6
95.08601	11.0
97.06535	1.8
99.04470	6.6
103.05502	1.3
105.06407	1.7
105.07045	19.9
107.04984	2.3
107.08604	5.4
109.02898	2.4
109.06525	9.3
109.10159	50.6
111.04411	4.6
117.07018	4.5
119.04952	10.2
119.08578	18.9
121.06493	7.3
121.10096	1.4
123.04454	1.4
123.08087	4.3
126.01478	1.1
128.06212	5.9
129.07010	2.5
131.08479	1.7
133.06488	2.2
133.10130	23.7
135.08104	1.9
137.05978	5.6
137.09621	88.3
143.08565	22.9
145.10158	2.4
146.07262	5.9
147.04428	9.6
147.08046	22.8
148.04704	1.9
149.09639	2.3
161.05956	1.6
161.09613	100.0
161.13251	1.7
164.04688	1.1
165.09106	44.8
171.08104	4.8
174.06688	3.8
175.03877	10.5
179.07111	1.5
179.10672	6.6
189.09111	18.0
192.04146	2.3
198.85771	1.1
207.06540	26.5
207.10144	26.5
207.13780	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	207.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43457	0.3
54.39779	0.2
55.01868	0.6
55.05489	0.4
56.96572	0.5
65.03955	0.3
65.48637	0.3
67.05512	3.1
69.03421	2.1
79.05471	1.6
80.94958	0.5
81.07050	1.6
83.04993	0.5
91.05482	6.6
93.07047	3.6
95.04968	2.8
95.08606	4.3
97.06512	0.8
99.04446	1.9
105.07043	6.4
107.04951	1.9
107.08575	1.9
109.02886	0.4
109.06538	3.7
109.10163	16.8
111.04468	0.9
115.96427	0.4
117.07018	0.5
119.04953	7.6
119.08601	5.3
120.01948	0.4
120.08115	1.3
121.06510	2.6
121.10145	1.4
121.97575	1.5
123.04398	0.4
123.08048	2.1
123.11619	0.4
128.06198	1.9
129.06987	1.4
131.04997	0.4
133.06499	1.4
133.10126	8.5
135.08066	0.6
137.05969	1.9
137.09619	27.9
142.03450	0.5
143.03607	0.7
143.08537	6.1
145.10118	1.5
146.03618	0.5
146.07216	1.3
147.04410	6.6
147.08066	5.5
147.11713	1.8
149.09639	2.5
151.07610	1.6
151.11255	0.3
157.03947	0.4
161.06001	0.8
161.09613	27.6
161.13254	0.6
163.11191	0.5
164.04677	1.8
165.09097	14.6
165.12674	0.7
165.96539	1.9
171.08031	0.7
174.06754	1.5
175.03896	6.3
179.07062	1.9
179.10643	1.9
183.97627	1.3
189.05455	0.5
189.09146	5.6
189.12747	0.5
192.04169	2.5
202.93172	0.3
205.04916	1.8
207.06520	100.0
207.10133	7.7
207.13791	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	207.1379
Annotation	Ibuprofen
Peak:m/z	Relative Intensity
51.40422	0.5
52.46172	0.5
55.05517	1.2
57.07076	3.2
59.05003	0.6
67.05188	0.8
67.05510	16.5
69.03419	1.2
69.07056	0.9
71.04994	0.9
71.99260	0.6
79.05524	0.7
81.07054	4.0
83.04971	3.2
85.06551	9.5
91.05472	2.9
93.07032	5.6
95.04964	2.8
95.08606	100.0
97.06521	0.9
105.07032	7.7
107.08598	12.5
109.06526	3.6
109.10178	2.4
111.08099	1.1
113.06009	4.9
119.04896	2.5
119.08575	17.8
121.06508	1.6
121.10136	12.1
123.08064	56.4
123.11703	5.7
125.09607	0.7
131.08554	2.7
133.06540	1.1
133.10112	3.6
135.11676	6.1
137.09602	3.0
137.13330	1.1
139.07539	1.4
145.10146	1.0
147.04391	1.1
147.08031	3.9
147.11678	10.6
149.09616	26.4
151.07562	0.6
151.14838	4.4
156.09328	0.8
161.13252	16.2
163.11188	1.3
165.12744	9.4
171.11700	3.3
174.10410	2.9
175.04063	0.8
175.53160	0.7
179.14314	3.1
189.12740	16.0
192.04172	1.0
194.88383	0.6
207.06445	1.3
207.13811	26.1
207.15804	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	207.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.8
53.03953	1.0
53.84043	0.6
55.01875	0.9
55.05519	4.4
67.05513	20.8
68.72636	0.7
69.07070	6.8
71.04991	1.3
75.64299	0.8
79.05500	41.6
81.03435	0.8
81.07062	20.1
83.04990	1.6
83.08614	3.6
85.06544	1.2
91.05484	29.8
93.07044	100.0
95.04982	10.9
95.08603	9.0
97.06526	1.1
105.07039	20.9
107.08593	9.3
109.06525	4.0
109.10143	0.9
113.54749	0.8
115.96451	1.9
117.07030	3.9
119.08595	13.3
121.06531	1.4
121.10160	1.9
123.08067	4.5
127.07549	1.2
129.06982	8.9
133.10103	7.6
135.11656	1.1
143.03690	1.7
143.08568	5.2
144.26895	0.9
145.10124	8.7
147.08061	1.4
147.11690	54.9
149.13251	1.0
150.50130	0.8
161.09608	4.3
161.13246	5.8
165.06808	0.9
165.96629	1.0
171.11697	19.6
189.12767	11.3
189.16399	1.8
207.11841	0.9
207.13791	26.2
207.17459	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	207.1379
Annotation	Ibuprofen
Peak:m/z	Relative Intensity
51.15680	1.1
53.03938	1.5
55.05507	5.6
66.62302	1.1
67.05511	18.2
67.52025	1.2
69.07066	6.5
69.35521	1.2
70.90302	1.0
71.21748	1.1
79.05073	2.0
79.05498	36.6
81.03407	1.3
81.07069	20.7
83.04968	1.9
83.08613	2.2
85.06555	2.7
86.45543	1.1
91.05477	33.6
93.07043	100.0
95.04951	11.2
95.08602	10.0
97.06536	2.7
105.04523	1.9
105.07026	25.7
107.04980	1.2
107.08599	13.1
109.06526	5.8
109.10172	1.9
115.96442	49.3
116.97267	2.6
117.07027	1.6
119.01927	2.6
119.08582	14.1
120.02033	6.5
120.08119	2.4
121.06479	1.6
121.10118	2.8
121.97583	1.9
123.08075	5.3
124.52039	1.2
129.07004	10.7
131.08623	5.4
133.06535	1.2
133.09216	1.2
133.10146	26.9
133.97464	16.1
135.11740	1.3
138.02994	1.2
138.17845	1.3
142.03496	8.6
143.03654	14.6
143.08603	2.1
144.34135	1.3
145.10112	10.1
147.08055	1.7
147.11687	61.8
161.04707	2.3
161.09615	3.0
161.13263	9.5
165.99115	1.8
166.05112	2.2
171.11693	19.6
175.11188	5.8
179.14316	2.1
183.97707	1.3
184.00159	2.3
189.12766	10.1
189.16515	1.5
202.87209	1.2
207.11835	2.4
207.13802	28.5
207.17435	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	208.1082
Annotation	5-(alpha-Phenylethyl)semioxamazide
Peak:m/z	Relative Intensity
56.96583	1.8
63.81155	0.7
73.48360	0.7
74.26514	0.7
88.52041	0.7
91.05471	1.4
92.05827	1.0
97.02913	1.6
98.97611	1.1
99.04338	0.7
99.92613	0.7
103.05506	3.7
107.05003	1.8
110.01263	1.8
116.98634	0.9
119.01791	6.4
119.04957	1.7
120.05285	4.0
120.08105	100.0
128.02315	11.5
131.04913	7.8
137.02837	7.8
138.05557	0.9
144.03264	2.8
145.07622	17.6
147.04422	1.2
148.04803	4.4
149.05991	1.6
161.04901	1.5
161.72516	0.7
162.09122	1.4
162.10265	22.6
163.08705	1.9
166.08620	15.9
176.03986	1.1
176.05223	4.1
177.39453	0.8
180.10135	1.0
185.05742	5.2
190.09810	3.2
191.08195	4.1
191.12628	1.2
193.04631	2.4
208.06856	3.7
208.10861	59.8
208.13161	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	208.9726
Annotation	Unknow
Peak:m/z	Relative Intensity
60.81172	4.9
64.20929	5.0
67.25420	5.7
85.87294	5.2
112.97923	5.6
129.83868	5.7
134.51137	6.5
191.94534	24.0
208.97272	100.0
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	Coronafacic acid
Peak:m/z	Relative Intensity
50.04618	0.7
53.00296	0.7
53.03960	0.7
53.76491	0.7
55.01870	1.5
55.05516	15.8
57.03431	3.5
57.07085	2.3
59.04998	1.0
59.29455	0.6
67.05200	0.8
67.05502	10.2
69.03412	3.9
69.06754	1.0
69.07074	17.1
71.04997	22.0
79.05494	19.6
81.07069	16.0
83.04984	32.8
83.08626	9.7
85.06539	3.1
90.91355	0.7
91.05477	15.4
93.07038	30.8
95.04964	39.8
95.08595	9.4
96.26109	0.8
97.06533	10.3
97.10153	4.6
99.04466	6.6
99.08087	1.5
105.07037	21.4
107.04964	13.0
107.08595	57.2
109.02854	1.4
109.06524	42.1
109.10146	12.5
111.04393	1.5
111.08077	6.2
113.05994	1.1
117.06955	6.0
119.08565	9.3
120.08064	0.9
121.06501	30.1
121.10140	41.8
121.11008	1.4
123.08075	9.2
123.11682	4.3
123.97431	1.0
125.05979	4.5
125.09620	14.8
129.06979	1.0
131.08565	100.0
131.49025	0.8
133.06500	1.0
133.10129	14.7
135.04404	1.1
135.08076	15.3
135.11710	9.8
137.05948	1.0
137.09549	1.2
139.07536	4.4
139.11169	3.1
141.05446	1.8
143.08527	1.7
144.95805	5.3
145.10127	39.5
147.08043	3.1
147.11719	7.6
149.05933	4.7
149.09616	77.0
149.13269	12.1
151.11172	13.5
153.05479	9.9
153.09090	21.0
158.10956	1.1
162.96887	1.6
163.07491	1.0
163.11171	26.1
163.14845	5.9
165.09088	1.1
167.07025	2.0
167.10628	3.8
167.14294	14.2
167.97470	1.4
173.09546	4.1
173.13245	16.3
191.07008	0.9
191.08896	1.5
191.10648	28.1
191.14307	23.2
209.08058	1.1
209.11699	46.7
209.15335	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	209.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21819	0.9
55.01876	2.8
55.05525	9.9
57.03451	3.1
57.07073	2.0
67.05501	7.5
69.03437	7.6
69.07073	16.1
71.05003	19.8
79.05506	25.4
81.03392	1.5
81.07069	9.7
81.80003	1.3
82.94897	1.3
83.04988	18.0
83.08625	6.5
83.60859	1.0
85.02918	2.0
85.06579	2.3
91.05472	12.1
93.07048	28.9
95.04967	18.3
95.08616	6.1
97.06528	10.2
99.04467	2.5
105.07025	19.1
106.04177	2.2
107.04951	14.5
107.07922	2.4
107.08604	50.1
109.06533	16.2
109.10191	6.8
111.04430	6.1
111.08079	2.4
117.07027	5.8
119.08596	10.0
121.06509	29.8
121.10141	35.8
123.08069	7.7
123.11731	2.5
125.06001	12.0
125.09599	10.4
127.07559	1.5
129.07013	2.2
131.08571	100.0
133.10101	7.4
135.08089	6.4
135.11696	6.7
137.05991	1.5
139.07530	5.0
141.05591	1.5
144.94823	1.8
144.95821	11.9
145.10133	43.0
147.08028	1.8
147.11699	2.9
149.06009	8.9
149.09625	77.2
149.13269	5.9
151.07510	1.6
151.11168	7.7
153.05537	10.3
153.09088	12.5
162.96948	4.9
163.11186	36.3
163.14804	1.4
165.09079	1.8
165.12752	1.7
167.07043	8.2
167.10687	5.0
167.14291	10.7
167.97549	2.1
173.09587	5.4
173.13257	7.0
177.05489	10.6
191.10670	31.2
191.14311	16.4
194.00328	6.3
209.02725	2.8
209.08122	11.6
209.09879	1.7
209.11674	47.7
209.13451	2.2
209.15367	27.8
217.31186	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	209.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21819	0.9
55.01876	2.8
55.05525	9.9
57.03451	3.1
57.07073	2.0
67.05501	7.5
69.03437	7.6
69.07073	16.1
71.05003	19.8
79.05506	25.4
81.03392	1.5
81.07069	9.7
81.80003	1.3
82.94897	1.3
83.04988	18.0
83.08625	6.5
83.60859	1.0
85.02918	2.0
85.06579	2.3
91.05472	12.1
93.07048	28.9
95.04967	18.3
95.08616	6.1
97.06528	10.2
99.04467	2.5
105.07025	19.1
106.04177	2.2
107.04951	14.5
107.07922	2.4
107.08604	50.1
109.06533	16.2
109.10191	6.8
111.04430	6.1
111.08079	2.4
117.07027	5.8
119.08596	10.0
121.06509	29.8
121.10141	35.8
123.08069	7.7
123.11731	2.5
125.06001	12.0
125.09599	10.4
127.07559	1.5
129.07013	2.2
131.08571	100.0
133.10101	7.4
135.08089	6.4
135.11696	6.7
137.05991	1.5
139.07530	5.0
141.05591	1.5
144.94823	1.8
144.95821	11.9
145.10133	43.0
147.08028	1.8
147.11699	2.9
149.06009	8.9
149.09625	77.2
149.13269	5.9
151.07510	1.6
151.11168	7.7
153.05537	10.3
153.09088	12.5
162.96948	4.9
163.11186	36.3
163.14804	1.4
165.09079	1.8
165.12752	1.7
167.07043	8.2
167.10687	5.0
167.14291	10.7
167.97549	2.1
173.09587	5.4
173.13257	7.0
177.05489	10.6
191.10670	31.2
191.14311	16.4
194.00328	6.3
209.02725	2.8
209.08122	11.6
209.09879	1.7
209.11674	47.7
209.13451	2.2
209.15367	27.8
217.31186	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	209.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	65.2
57.03443	1.7
57.07075	1.5
59.05008	5.0
60.22496	1.0
67.05493	5.1
69.03423	6.5
69.07064	7.8
70.01003	1.0
71.04993	5.9
79.05508	1.9
80.18941	1.3
81.07073	16.5
83.04986	97.8
83.08625	46.3
85.06538	5.5
91.05479	1.7
93.07055	11.6
95.04971	23.8
95.08606	12.3
97.06527	12.5
97.10170	9.7
99.04443	4.7
99.08066	1.3
105.07037	6.6
107.08594	27.4
109.06524	31.8
109.10155	37.4
109.10899	1.6
111.08080	15.4
119.08610	1.3
121.06528	2.1
121.10159	22.2
123.08065	1.4
123.11729	16.4
125.09635	23.6
128.33382	1.2
131.08559	7.6
133.10124	26.4
135.08046	5.1
145.10129	4.9
147.11670	1.7
149.05972	1.8
149.09605	2.8
149.13251	16.6
151.11189	58.2
153.09120	11.7
162.99150	1.4
163.14787	1.7
165.12762	2.3
167.14310	100.0
173.13254	13.5
191.14253	11.0
203.73215	1.2
209.15370	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	209.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	12.7
57.03457	0.7
57.07077	1.3
59.05006	1.0
67.05497	4.7
69.03433	13.8
69.07082	7.8
71.04978	3.1
74.73151	0.6
78.26073	0.6
79.05486	3.2
81.07054	7.6
83.04536	0.8
83.04987	12.6
83.08636	5.6
83.55184	0.7
85.06545	7.9
91.05454	1.0
93.07042	8.7
95.04940	2.8
95.08601	10.8
97.06514	4.1
97.09595	1.0
97.10172	24.0
99.04466	0.7
99.08110	11.9
100.54750	0.7
105.07008	2.8
107.08598	28.7
109.06491	7.0
109.10159	11.7
111.04465	0.7
111.08097	6.9
113.06005	7.6
119.08551	1.3
121.06483	2.6
121.10145	19.5
123.08070	3.0
123.11684	2.8
125.05974	5.8
125.09630	100.0
127.07575	2.9
131.08557	4.6
133.10120	7.7
135.08055	9.3
135.11696	4.6
137.09607	4.7
139.07524	3.2
139.11168	3.3
145.10127	0.7
145.63397	0.7
147.11664	4.5
149.09619	61.0
149.13222	11.8
151.11183	40.2
153.09100	20.8
154.09946	3.4
158.10786	0.9
163.14818	14.5
165.12770	0.8
167.10649	1.7
167.14355	0.7
173.13219	10.1
184.50648	0.7
191.14311	34.9
198.84868	0.8
209.15364	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	210.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
59.40815	0.8
60.05635	0.9
61.32429	1.0
62.65794	1.0
70.06583	4.2
71.94460	0.9
74.38232	0.9
76.22845	0.9
84.08138	1.2
85.02929	1.1
120.08123	10.9
120.40849	1.0
124.03817	1.0
132.95860	1.8
140.06995	1.2
145.96687	3.7
150.05249	9.4
150.96918	1.7
151.03926	5.9
163.97696	8.9
164.10696	1.7
168.24857	1.3
168.95773	1.1
175.11942	1.2
178.04814	1.9
181.98917	1.0
186.96844	1.3
186.99113	1.1
191.97154	1.6
192.06528	1.4
210.05205	4.5
210.07367	100.0
210.11275	6.4
210.15985	1.9
212.57869	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	210.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47501	0.3
55.55078	0.4
57.80846	0.2
60.05655	26.8
65.03922	0.3
67.05498	0.4
81.07085	0.3
85.94587	0.4
87.04446	1.3
87.97195	0.4
91.59914	0.3
95.04963	0.5
96.05601	1.9
103.95699	0.4
114.06651	0.5
121.08865	0.3
124.07584	2.6
127.95556	0.5
132.95851	0.6
141.05461	0.7
145.96651	2.4
150.05534	0.5
150.96887	1.3
151.03903	100.0
152.09326	0.3
157.10074	0.3
163.97719	3.8
164.07034	0.4
168.95834	0.5
181.98796	0.7
186.99258	0.5
191.97194	0.6
192.06541	0.4
192.10150	0.4
207.74864	0.3
210.05157	0.6
210.08748	4.3
210.11218	4.2
210.14746	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	210.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.9
54.80552	0.5
54.93632	0.5
55.01875	3.6
57.33685	0.5
61.44170	0.4
67.05507	3.7
69.03441	0.8
69.07068	2.0
71.04998	9.4
79.05490	3.9
81.03410	2.1
81.07055	7.3
83.04984	0.9
84.59676	0.5
91.05491	7.8
92.21148	0.7
93.07042	4.4
95.04972	1.0
95.08610	3.0
97.02896	32.3
97.06545	4.3
99.00787	0.7
99.04466	10.0
105.07027	3.1
107.04951	2.4
107.08629	0.8
108.08949	0.8
109.02880	45.4
109.06505	2.4
109.10175	1.4
111.04468	0.7
117.06988	2.0
119.08584	23.0
121.10100	0.7
123.04456	0.7
123.08106	0.7
124.07587	5.8
129.07001	5.5
131.04918	9.0
133.06474	10.1
133.10124	2.4
134.10448	4.5
135.08060	0.9
136.08415	2.0
137.09612	7.7
138.09924	3.3
147.08054	36.3
147.11777	0.6
149.06003	2.2
149.09628	1.1
150.13632	0.9
157.06477	3.5
163.97733	1.0
164.10712	1.1
165.09105	100.0
174.13580	1.0
175.07541	21.8
192.10210	1.1
193.08595	12.1
210.11255	9.9
210.18497	0.8
211.09650	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	210.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38014	0.9
63.74615	0.9
67.05480	1.0
69.07066	1.1
72.96310	1.1
79.05489	2.4
80.05031	2.0
81.07057	5.0
83.97671	1.0
84.05627	1.8
91.05434	1.4
91.36337	1.0
93.07044	1.3
95.08609	1.2
97.06534	1.4
98.03558	8.5
100.05070	1.8
105.07032	6.5
111.33864	1.2
112.05089	43.5
118.98228	1.2
119.08611	1.5
119.17108	1.0
122.09657	19.2
124.05100	15.3
126.05490	7.7
133.06543	11.2
133.10074	1.5
140.10710	12.3
147.11710	7.4
149.05803	2.0
150.06627	35.9
150.09140	24.5
154.06125	2.0
157.10194	3.6
163.97704	5.8
164.11781	1.7
165.12796	1.8
168.10208	1.7
175.11160	7.8
192.11311	42.1
193.12242	5.0
203.93929	1.1
210.12383	100.0
210.14493	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	210.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	33.0
67.05512	35.0
67.91251	2.8
69.07069	34.0
71.08655	3.0
79.05553	3.2
81.07063	58.4
83.08628	32.0
85.94638	3.4
86.06060	6.1
88.63509	3.2
91.05482	6.4
93.07054	22.8
95.08614	100.0
95.92685	2.8
96.44012	3.1
97.06554	14.1
97.10176	18.0
100.07608	17.2
105.07040	7.4
107.08585	6.7
107.93829	3.1
109.06583	3.3
109.10164	72.9
111.08088	14.4
114.09142	20.8
118.94299	3.2
119.08593	24.6
121.10183	5.2
123.08096	3.9
126.09103	5.0
128.10727	12.2
133.10114	30.4
135.11710	11.9
137.09564	3.6
140.10712	3.5
145.96669	22.5
147.11716	17.9
149.13260	13.5
151.14815	17.0
163.97688	50.5
169.12231	7.6
175.14822	82.3
181.98749	6.9
186.99303	19.9
193.15871	57.9
210.13625	3.8
210.18539	81.7
211.39906	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	210.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	31.6
57.07072	4.0
57.38515	2.7
67.05500	27.5
69.07068	26.7
70.06580	3.3
72.33941	2.9
81.07053	57.0
83.05022	3.2
83.08620	33.4
85.07611	2.8
85.63242	3.2
86.06056	4.5
91.05480	3.6
92.21630	3.0
93.07035	12.9
95.08606	99.6
97.06512	7.5
97.10172	13.5
100.07596	22.0
105.07008	4.9
107.08588	7.3
109.10162	62.0
111.08064	17.7
114.09161	24.3
117.95999	3.1
119.08562	21.1
125.09654	4.2
128.10704	13.7
133.10135	19.0
135.11697	6.4
139.22835	2.9
140.10677	3.6
145.96701	7.0
147.11687	19.2
149.13202	3.7
149.84816	3.4
151.14793	13.7
163.97690	26.5
167.34508	4.4
175.14836	100.0
181.98688	5.2
186.99304	5.1
193.15880	68.3
209.08078	2.9
210.13538	4.3
210.18541	82.5
220.60307	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	211.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85237	0.2
81.07073	0.3
85.02924	1.7
90.39960	0.2
95.08610	0.3
96.04521	0.2
103.03955	0.3
109.06425	0.2
123.04426	0.6
126.01076	0.2
127.03905	6.2
139.00769	0.3
147.09241	0.3
151.03900	1.0
153.01823	100.0
165.05450	0.3
169.03700	0.2
169.04922	2.4
171.02908	0.3
179.03345	1.7
193.04970	1.1
193.69449	0.2
206.98857	0.2
211.05920	11.2
211.07481	1.4
211.10915	0.3
211.14581	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	211.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23440	0.6
56.67688	0.6
57.03445	100.0
57.93443	0.6
61.29249	0.6
61.82110	0.6
67.05496	1.0
72.38232	0.7
74.41895	0.7
81.07054	1.7
83.04969	1.3
83.08625	0.8
90.83646	0.7
91.05492	1.3
93.07069	0.7
95.04953	1.8
95.08590	1.2
105.07040	1.3
107.08601	1.4
109.10159	1.0
119.08573	0.8
121.92739	0.7
123.08080	1.2
133.10159	3.4
135.11655	0.8
137.06079	0.8
137.09578	1.3
140.04712	1.0
147.11650	1.3
155.07036	1.6
162.26677	0.7
167.07030	4.1
175.11166	0.9
186.80544	0.8
193.12180	1.6
196.05139	1.2
211.07559	6.0
211.09657	9.9
211.11378	0.7
211.13057	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	211.1327
Annotation	(+)-7-Isojasmonic acid
Peak:m/z	Relative Intensity
55.05514	31.2
57.03439	4.9
65.62572	3.2
67.05509	23.6
69.07059	6.2
79.05481	20.4
81.03423	100.0
81.07066	35.9
83.04988	46.8
83.08614	39.4
91.05490	26.5
93.07027	15.6
95.04983	26.4
95.08604	7.1
97.10159	14.1
105.07015	18.6
107.04958	4.5
107.08612	5.0
109.06532	3.6
111.08057	14.5
119.03703	3.4
119.08562	16.1
121.10169	6.9
129.06960	6.3
131.08556	15.2
133.10124	19.1
141.34753	3.7
147.11678	17.1
149.09605	5.7
156.25981	3.4
157.10117	16.1
173.90802	3.4
175.11163	17.9
193.12247	55.8
202.11444	3.4
211.13260	25.9
211.15004	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	211.1327
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
53.03940	1.7
55.01874	3.1
55.05524	26.0
57.03442	6.9
67.05510	19.6
69.03424	9.5
69.07063	9.7
71.04995	3.1
79.05496	23.7
81.03425	100.0
81.07054	26.9
83.04987	50.8
83.08628	42.0
91.05473	29.8
92.21503	1.8
93.07038	21.7
95.04975	31.8
95.08613	11.5
97.02885	2.9
97.06543	6.3
97.10164	7.9
105.07044	20.1
107.04955	7.3
107.08590	9.9
109.06536	6.2
109.10146	2.5
111.04472	2.0
111.08094	11.1
116.31293	1.3
119.08578	20.9
119.68858	1.6
121.06493	2.7
121.10175	8.9
123.08058	3.8
129.07001	15.0
131.08556	16.5
133.06505	1.9
133.10152	10.0
147.08069	3.4
147.11671	21.0
149.09610	10.1
152.70406	1.6
157.10121	24.1
165.12769	2.7
175.11131	18.1
193.12242	56.2
211.13301	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	211.1327
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
54.38340	2.2
55.01872	3.4
55.05521	23.3
57.03446	4.2
61.77849	2.3
62.98980	2.8
67.05512	24.0
69.03431	7.0
69.07063	14.4
71.05016	2.4
71.20508	2.9
74.73274	2.4
78.69041	2.7
79.05497	28.0
81.03423	100.0
81.07059	35.3
83.04984	40.9
83.08620	40.1
83.97868	2.9
91.05487	32.1
93.07025	15.6
95.04568	2.3
95.04984	34.4
95.08599	15.6
97.02891	4.0
97.06470	3.3
97.10184	12.3
103.77190	2.8
105.07018	23.0
107.04970	4.3
107.08611	12.3
109.06516	11.6
111.08061	6.4
119.08591	20.0
121.10137	14.2
129.07008	15.9
131.08542	15.7
133.06525	3.9
133.10130	15.0
133.89464	3.1
147.11696	17.4
149.09630	5.1
150.96938	3.2
154.97466	3.1
157.10121	19.6
175.11192	16.6
193.12257	55.0
211.13301	28.7
227.36060	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	211.1327
Annotation	(+)-7-Isojasmonic acid
Peak:m/z	Relative Intensity
53.45663	1.5
55.01867	7.7
55.05515	15.1
57.03439	3.0
60.60403	1.8
60.79410	2.0
65.03935	1.7
67.05180	2.7
67.05508	46.2
69.03416	3.4
69.07069	19.3
70.69096	1.7
71.05003	4.8
72.68767	1.7
75.67040	2.1
79.05488	45.3
81.03408	2.5
81.07060	57.5
81.33331	1.9
82.23663	1.8
83.04989	26.3
83.08622	13.5
85.02933	2.3
85.06577	3.5
87.04456	11.4
89.33002	1.9
90.59045	2.4
91.05480	56.3
91.06010	4.0
93.07049	37.8
95.04964	100.0
95.08610	24.1
97.06519	17.5
99.04375	1.9
101.02378	3.0
105.07034	44.8
107.04976	16.4
107.08593	40.2
107.14625	2.0
109.06532	31.4
109.10170	4.9
111.04443	11.7
111.08064	2.5
113.06020	4.6
117.07021	10.1
119.08601	31.9
121.06447	2.5
121.10158	15.6
121.78687	1.9
123.11732	7.9
125.09589	3.1
129.06990	15.4
131.08548	14.0
133.06473	4.8
133.10141	43.1
135.08060	34.3
147.11703	39.6
149.09604	13.3
151.11156	32.7
157.10103	16.3
165.12769	26.9
175.11185	30.9
176.27428	1.9
193.12248	34.6
197.03537	2.1
211.13197	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	211.1327
Annotation	(+)-7-Isojasmonic acid
Peak:m/z	Relative Intensity
53.03966	1.9
53.92733	1.4
55.01873	2.1
55.05523	26.7
57.03435	9.1
59.04996	1.6
59.73693	1.3
67.05505	22.1
69.03424	9.2
69.07084	10.8
69.07394	1.3
71.04993	3.6
74.60283	1.4
79.05491	30.1
81.03426	100.0
81.07061	35.8
83.04984	46.8
83.08620	40.1
85.06558	2.8
91.05485	28.4
93.07056	20.0
95.04970	38.8
95.08611	21.9
97.02872	3.0
97.06534	3.2
97.10152	8.8
99.08059	1.8
105.07038	20.9
107.04970	7.2
107.08595	13.3
109.06517	8.1
109.10156	15.4
111.04419	2.9
111.08092	14.5
119.08566	24.9
121.10118	11.5
123.08053	6.4
123.11726	2.6
125.09608	3.6
129.07010	13.8
131.08545	17.5
133.06471	3.0
133.10138	19.7
135.11690	9.4
137.09622	9.9
142.07838	1.9
144.67912	1.5
145.10153	2.7
147.08031	2.5
147.11708	23.6
149.09607	8.4
153.62915	1.6
155.08533	2.0
156.65366	1.8
157.10103	19.3
165.12743	6.5
167.07050	9.9
169.10178	3.6
175.11160	21.1
175.14894	2.3
183.11728	1.9
193.04929	1.6
193.12241	60.6
193.15921	2.2
194.43517	1.5
196.12505	8.2
211.11166	6.7
211.13271	28.4
211.15181	15.2
230.29617	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	211.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60826	0.7
55.05523	7.9
57.07076	1.6
59.05007	1.0
67.05511	12.8
69.03434	8.1
69.07073	14.4
71.04991	3.2
71.08638	0.8
73.39996	0.7
78.35603	0.6
79.05483	1.7
81.07067	20.3
83.04993	12.7
83.08627	11.7
84.20036	0.7
85.06551	4.0
91.05489	1.9
93.07036	7.4
95.04955	1.0
95.08611	38.5
97.06538	1.4
97.10162	1.5
99.08092	4.2
105.07040	4.0
107.08604	18.7
109.06529	13.4
109.10162	100.0
111.08081	4.3
113.09650	1.2
119.08582	20.5
121.10161	11.3
123.08072	11.7
123.11697	9.5
133.10141	16.6
134.09293	0.8
135.11697	67.0
137.09621	23.3
139.11186	3.8
147.11707	1.1
149.13272	5.9
151.11183	11.0
151.14809	15.1
153.12737	4.0
157.27205	0.8
165.16360	3.0
175.14816	22.1
193.15894	22.5
211.16991	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	211.169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	12.4
57.07066	2.4
67.05510	15.1
69.03439	10.6
69.07078	15.6
71.04991	5.2
71.08673	1.4
71.73264	1.1
78.66332	1.4
81.03442	2.4
81.07067	24.3
83.04983	17.8
83.08626	10.4
85.06533	3.0
91.05472	1.6
93.07028	7.7
95.05003	1.9
95.08611	39.5
97.10154	3.0
99.08111	2.4
101.34227	1.2
105.07044	5.1
107.08601	24.2
109.06522	11.6
109.10157	100.0
111.08094	3.0
113.09650	2.1
119.08571	22.6
121.10146	11.9
123.07299	1.3
123.08054	12.5
123.11681	9.3
127.07545	1.3
133.10135	18.8
135.11697	76.4
137.09633	23.9
139.11191	1.6
147.11604	1.8
149.13283	6.8
151.11165	12.5
151.14774	13.2
153.12737	2.6
165.12877	1.3
165.16396	2.1
175.14793	26.1
179.99062	1.6
193.12291	1.6
193.15866	23.5
201.53038	1.7
211.11087	1.3
211.16956	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	211.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.4
55.05517	14.4
57.03437	7.3
57.07069	5.8
60.03915	1.2
61.98650	1.1
64.83320	1.3
67.05511	16.8
69.03422	4.9
69.07079	18.7
71.04983	9.0
79.05492	3.1
81.03433	11.1
81.07058	29.1
82.43859	1.2
83.04987	16.0
83.08623	22.3
85.06550	8.0
91.05462	9.2
93.07029	15.1
95.04958	8.0
95.08603	56.8
97.06532	11.9
97.10178	5.6
99.04462	7.9
99.08096	6.1
105.07027	10.3
107.08578	24.3
109.02874	1.8
109.06515	13.4
109.10155	100.0
111.08083	36.1
111.08798	1.6
113.70487	1.2
119.08577	37.2
121.10144	24.6
123.04569	1.2
123.08054	39.0
123.11690	28.7
125.09618	13.9
127.03857	1.5
127.07684	1.4
129.07002	1.6
131.08572	2.4
133.10127	40.7
135.11697	61.7
137.09618	89.5
137.13272	6.1
138.10410	6.3
139.11142	5.1
147.11674	17.8
149.09669	1.2
149.13245	14.0
151.11180	10.1
151.14828	11.7
153.12727	1.2
157.10133	1.7
165.12762	11.1
165.16383	2.8
167.07021	6.3
167.87904	1.3
169.10078	4.9
175.11185	2.7
175.14822	56.7
175.16290	2.7
185.93410	1.2
193.12225	7.3
193.15877	41.8
196.12494	1.8
211.11110	5.5
211.13341	3.5
211.14819	15.1
211.16943	35.1
211.20625	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	211.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	7.6
57.03469	1.2
57.07076	2.5
59.05000	1.7
60.91852	0.9
67.05518	10.9
69.03432	7.0
69.07077	16.1
71.04993	1.8
71.08625	1.1
74.31613	1.0
79.05502	1.3
81.07067	17.1
81.53587	1.1
83.04996	9.2
83.08633	9.5
85.06541	2.7
86.68525	1.1
92.21475	1.7
93.07030	8.4
95.04988	1.3
95.08614	29.7
97.10133	2.0
99.08083	2.2
104.40651	1.3
105.07036	2.1
107.08594	17.6
109.06517	12.2
109.10157	100.0
111.08083	2.3
113.09624	2.0
114.95363	1.1
119.08580	19.1
121.10176	11.4
123.08067	12.4
123.11727	11.5
127.11137	1.5
133.10117	17.5
135.11694	68.6
137.09608	16.4
139.11185	1.2
147.11674	1.3
149.13237	4.6
151.11191	8.6
151.14839	16.1
153.12746	5.4
165.16318	1.5
175.14798	21.7
181.16144	1.2
193.15910	22.4
211.14940	1.3
211.16956	6.7
221.51128	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	211.1691
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
55.01893	1.4
55.05521	14.6
57.03429	1.7
57.07074	2.6
59.41450	1.1
67.05509	19.0
69.03434	8.5
69.07074	16.7
71.04998	5.2
73.49544	1.1
79.05500	13.0
81.03419	24.5
81.07066	29.3
82.07407	1.8
83.04984	19.5
83.08627	19.8
85.02889	1.7
85.06539	4.9
87.08089	1.1
91.05473	9.6
93.07046	13.9
95.04978	9.3
95.08608	39.9
97.06525	6.1
97.10194	4.3
99.08088	2.9
105.07047	15.1
107.08593	21.9
109.06526	17.8
109.10159	100.0
111.08080	6.8
113.09657	1.2
119.08573	29.5
120.08890	1.3
121.10113	12.3
123.08062	12.5
123.11711	12.0
129.07053	5.1
131.08502	4.5
133.10141	23.4
135.11688	60.8
137.09610	15.3
139.11165	1.5
147.08086	1.6
147.11696	14.8
148.12010	7.0
149.09621	2.6
149.13275	5.5
151.11174	9.1
151.14844	12.9
155.08607	2.9
157.10091	10.5
165.12747	2.7
166.13109	2.3
167.07063	5.9
169.10118	7.8
173.77399	1.4
175.11194	7.0
175.14819	18.3
176.11546	1.5
176.73891	1.3
183.11641	2.6
193.12206	14.8
193.15874	20.4
196.08937	1.5
196.12454	7.8
211.11247	6.4
211.14894	36.5
211.16826	4.0
220.81702	1.3
223.96254	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	212.0918
Annotation	Enicoflavine
Peak:m/z	Relative Intensity
53.86226	0.9
55.01884	4.1
55.05502	1.0
56.64342	0.9
69.03436	1.8
69.06697	2.2
69.07074	60.1
70.06611	2.2
72.04494	1.0
73.02914	5.9
73.06561	6.1
73.41641	1.0
80.01373	1.9
81.03425	13.1
84.04507	5.8
84.08139	2.5
85.02914	6.3
96.04499	1.6
97.02921	2.2
97.06538	4.1
98.02407	20.7
99.04444	1.2
109.02890	23.4
109.06487	3.8
110.02406	100.0
115.03942	8.2
117.51761	1.1
120.08117	1.9
124.03968	16.6
125.02351	2.2
126.05458	1.2
127.03910	3.9
136.07524	1.1
137.06020	2.0
140.83151	1.0
145.04999	1.6
151.08665	1.1
152.07100	4.4
166.08636	40.3
166.10034	1.6
171.02931	1.9
184.11050	1.0
194.04681	1.3
194.08180	4.8
195.07634	5.0
212.07092	3.1
212.09167	11.7
212.12787	7.1
212.16043	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	212.0917
Annotation	Methyldopa anhydrous
Peak:m/z	Relative Intensity
52.29964	0.5
55.60188	0.5
57.03426	0.8
61.02893	0.6
64.23321	0.5
69.03417	0.9
70.34462	0.4
71.04290	0.4
71.04989	0.6
73.02902	0.6
76.57475	0.5
81.03417	8.6
84.08120	1.2
85.02875	2.8
87.04423	2.4
99.04398	0.7
105.16335	0.5
109.02885	16.4
110.02370	0.7
110.05999	1.0
120.08153	4.4
124.04700	1.0
124.07577	0.7
125.07066	1.1
126.06564	2.1
127.03902	2.1
129.10254	0.6
134.05934	2.6
136.07489	0.6
144.37570	0.5
148.07416	0.7
149.05957	1.3
152.05885	0.7
152.07043	15.4
152.09055	0.7
153.05374	1.0
166.05765	2.4
166.08615	15.7
168.06519	1.0
170.07863	0.8
176.07086	5.6
179.85017	0.7
194.08125	100.0
195.07529	4.0
199.02846	0.7
212.09067	48.9
212.12595	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	212.1031
Annotation	Zalcitabine
Peak:m/z	Relative Intensity
64.55804	0.6
68.02971	0.7
69.03422	0.7
70.06602	1.0
71.05000	1.3
80.05032	0.9
81.03421	17.2
81.25226	0.8
84.08148	3.9
84.58220	0.9
85.02909	7.7
86.09739	1.1
87.04458	1.2
94.31882	0.8
97.02919	1.0
99.04466	1.7
102.14109	0.8
109.02876	30.3
110.06070	3.8
120.08114	3.7
127.03960	4.6
134.06050	1.8
138.05515	11.0
140.07109	0.9
145.05013	3.2
152.07100	3.5
153.05464	0.9
155.05838	4.1
163.05023	3.7
166.06082	1.5
166.08656	3.9
167.07033	1.4
168.06525	11.5
170.08096	13.9
177.02950	1.5
194.08057	10.9
195.07639	48.1
196.07178	12.9
197.07986	8.4
212.10382	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.1281
Annotation	Methoxamine
Peak:m/z	Relative Intensity
55.01873	6.2
55.05520	1.7
58.79628	0.3
66.17867	0.3
67.05512	2.9
67.31159	0.3
69.07082	3.2
71.05006	0.9
71.06115	0.5
73.02918	0.4
76.40538	0.3
79.05493	5.3
81.03431	0.7
81.07066	4.0
83.04980	5.9
85.02925	2.5
88.22030	0.3
91.05503	0.6
93.07043	9.6
95.04973	0.6
95.08583	4.5
96.05630	0.7
97.06434	14.4
98.07174	19.1
99.04457	1.4
105.07030	1.7
107.04973	1.5
107.08592	6.7
108.08966	0.5
109.02886	0.9
109.10159	1.5
110.06085	0.5
110.07174	0.9
111.04436	8.6
113.49664	0.4
120.04449	0.4
121.06505	0.5
121.10136	24.8
124.07607	0.7
125.06012	1.9
125.09637	0.5
130.05014	0.6
131.00255	0.4
131.08546	6.1
131.09288	0.4
133.10135	1.6
134.05994	0.4
135.08104	1.6
137.06059	0.5
138.09061	0.4
138.10014	0.7
139.10107	0.9
139.11177	24.3
149.09613	20.1
152.07063	6.7
162.05486	0.6
166.08670	0.7
166.12004	0.5
166.13393	13.2
167.10661	73.8
177.09117	3.2
180.06610	0.4
184.13361	3.2
185.11819	1.5
194.08134	4.7
194.12833	1.7
195.10176	9.1
212.09566	4.8
212.13982	100.0
213.11195	20.5
213.13173	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	212.1644
Annotation	Elaeokanine C
Peak:m/z	Relative Intensity
55.01875	1.9
55.05524	11.3
55.05733	1.3
57.03424	1.6
57.07073	9.1
60.60003	1.3
66.90175	1.2
67.05502	19.6
67.31503	1.3
69.07069	49.8
70.75624	1.5
71.04995	3.2
71.08624	3.2
72.08157	2.6
79.05492	10.3
81.07060	32.0
83.04984	5.4
83.08620	52.3
84.08131	1.9
85.06528	1.4
86.06065	6.3
86.09692	2.1
93.07034	26.4
95.04957	2.5
95.08607	14.3
96.08134	6.2
97.06532	15.1
97.10172	11.7
100.07632	16.0
106.12003	1.4
107.08604	25.4
109.10154	8.7
110.09684	3.1
111.08067	10.9
111.11744	1.9
114.09152	9.3
121.10146	13.7
123.11656	2.4
124.11202	2.8
125.13308	2.6
128.10745	1.4
131.08510	2.4
133.10107	2.4
135.11694	6.9
149.13258	53.8
159.11659	7.4
166.15894	61.2
167.14296	14.9
169.04514	1.5
177.16283	2.0
184.16983	13.5
189.00694	1.6
194.15413	7.5
195.17439	2.2
212.16458	100.0
212.19809	4.5
213.14714	1.8
224.15096	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	212.1644
Annotation	Elaeokanine C
Peak:m/z	Relative Intensity
54.72091	2.2
55.01879	3.7
55.05515	16.0
55.62193	1.8
57.03434	2.1
57.07078	13.2
57.98954	2.2
61.70611	1.7
67.05520	22.4
69.07070	53.7
71.04988	3.7
71.08636	8.7
77.35029	2.1
79.05493	10.8
79.89863	1.9
81.07063	37.5
82.06590	2.2
82.07389	2.2
83.08625	59.9
84.08146	4.1
85.06547	3.2
86.06074	5.1
91.05456	2.4
93.07052	31.4
95.08602	15.1
96.08131	3.6
97.06561	18.9
97.10155	12.4
98.97078	2.3
100.07605	12.5
104.66277	2.0
105.07031	2.1
106.14476	1.8
107.08612	28.8
109.10159	8.5
111.08057	15.3
114.09157	9.4
120.08987	2.7
121.10159	15.6
123.11712	3.2
124.11221	3.2
125.09642	2.7
125.13223	3.6
128.10712	3.7
135.11705	2.4
149.13260	54.7
159.11742	8.5
166.15894	77.6
167.14279	16.6
177.12845	3.8
177.16286	2.0
184.17003	13.9
194.15277	2.3
199.35826	2.1
212.14528	5.1
212.16478	100.0
213.15051	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	212.1644
Annotation	Elaeokanine C
Peak:m/z	Relative Intensity
54.72091	2.2
55.01879	3.7
55.05515	16.0
55.62193	1.8
57.03434	2.1
57.07078	13.2
57.98954	2.2
61.70611	1.7
67.05520	22.4
69.07070	53.7
71.04988	3.7
71.08636	8.7
77.35029	2.1
79.05493	10.8
79.89863	1.9
81.07063	37.5
82.06590	2.2
82.07389	2.2
83.08625	59.9
84.08146	4.1
85.06547	3.2
86.06074	5.1
91.05456	2.4
93.07052	31.4
95.08602	15.1
96.08131	3.6
97.06561	18.9
97.10155	12.4
98.97078	2.3
100.07605	12.5
104.66277	2.0
105.07031	2.1
106.14476	1.8
107.08612	28.8
109.10159	8.5
111.08057	15.3
114.09157	9.4
120.08987	2.7
121.10159	15.6
123.11712	3.2
124.11221	3.2
125.09642	2.7
125.13223	3.6
128.10712	3.7
135.11705	2.4
149.13260	54.7
159.11742	8.5
166.15894	77.6
167.14279	16.6
177.12845	3.8
177.16286	2.0
184.17003	13.9
194.15277	2.3
199.35826	2.1
212.14528	5.1
212.16478	100.0
213.15051	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	212.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	6.6
55.05508	5.2
57.07084	1.2
59.09327	0.7
60.05657	30.4
67.05516	12.1
69.03458	1.0
69.07066	3.3
69.23372	0.8
70.07391	0.7
71.04992	18.9
72.04565	0.8
74.88393	0.8
79.05498	5.2
79.12116	0.8
81.03439	1.1
81.07057	9.1
83.08622	9.9
85.06533	1.7
86.06052	1.4
86.09692	0.8
87.04467	6.4
91.05476	1.7
93.07043	16.0
94.06570	4.2
95.04963	1.1
95.08603	9.1
97.06532	100.0
97.10167	7.7
105.07066	1.7
107.08598	9.5
109.10153	15.4
110.16277	0.9
111.08089	2.0
117.07023	1.6
119.06057	6.2
119.08554	0.8
121.10156	1.4
125.09631	5.7
131.08600	1.5
133.10086	5.9
135.08054	4.6
135.11659	3.1
142.12271	1.2
147.11731	0.9
149.13263	4.1
152.07025	0.9
159.11716	3.3
167.14372	1.0
170.11790	1.8
177.12729	4.5
194.11557	1.0
195.13802	40.0
203.16499	0.8
212.11833	10.5
212.16267	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	212.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39407	0.6
68.05021	0.9
69.07070	33.1
70.06596	96.3
76.17148	0.8
85.06541	10.6
85.07655	3.2
87.21965	0.7
95.06098	3.0
98.09731	0.9
102.09138	0.7
108.23335	0.8
111.05550	0.9
112.08730	73.1
138.12790	11.3
141.38959	0.8
142.12257	1.8
144.11330	8.2
166.13422	1.0
168.11273	2.8
176.67674	0.8
180.14949	99.6
194.12888	1.2
212.14200	3.2
212.17580	100.0
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	3-aminotridec-2-en-4-one
Peak:m/z	Relative Intensity
55.01880	2.3
55.05518	38.0
55.23515	1.6
55.66208	1.6
57.03432	2.7
57.07085	27.8
58.06595	2.7
63.77612	1.7
65.57705	1.7
65.84658	1.7
67.05499	11.0
68.24310	1.6
69.03367	1.6
69.06705	2.8
69.07071	73.9
70.86904	1.8
71.04971	2.9
71.08630	22.2
72.08148	8.1
74.81099	2.0
79.05488	3.3
81.07047	20.6
83.04979	2.1
83.08624	56.5
84.13400	2.0
85.06509	4.5
85.10163	4.8
86.06068	14.4
93.07042	15.9
95.08604	34.5
97.06528	21.9
97.10167	73.7
99.08121	3.6
100.07626	28.2
107.08599	23.6
109.10188	16.8
111.08069	17.7
111.09221	2.4
111.11713	18.2
113.09583	2.6
114.09160	26.0
115.34951	1.9
119.51449	2.1
121.10130	31.0
122.18422	1.8
123.11701	3.4
125.09607	12.8
128.10696	14.3
135.11681	20.6
136.06215	3.1
139.11169	8.8
142.12260	10.1
146.72189	1.8
149.13226	4.8
156.13829	3.5
158.25352	2.0
170.19058	3.0
177.16374	52.7
179.54630	2.2
195.17432	36.3
196.77286	2.0
212.16685	4.6
212.20091	100.0
222.89948	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	212.2008
Annotation	3-aminotridec-2-en-4-one
Peak:m/z	Relative Intensity
55.01901	2.8
55.05521	30.4
57.07084	29.0
58.06623	3.4
67.04554	2.9
67.05503	6.3
69.07069	78.5
71.08622	20.2
72.08152	5.2
79.05498	4.4
81.07076	23.5
83.08628	60.3
85.06532	4.4
85.10206	5.0
86.06081	6.8
93.07044	14.0
95.08603	31.3
97.06528	17.9
97.10176	73.7
100.07635	34.0
107.08582	25.0
109.10173	23.5
111.08091	18.8
111.11730	27.7
114.09181	22.5
120.23209	3.6
121.10168	31.6
125.09649	16.2
128.10757	11.2
133.12978	3.7
135.11700	16.8
136.06235	4.0
136.69749	3.3
139.11157	4.8
142.12144	4.3
177.16386	58.9
195.17433	33.5
212.16757	3.8
212.20114	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	212.2008
Annotation	3-aminotridec-2-en-4-one
Peak:m/z	Relative Intensity
52.09330	2.0
52.10753	2.1
53.69733	1.9
54.78365	2.5
55.05523	35.9
56.05027	2.8
57.07086	32.9
60.39917	2.0
67.05501	10.8
69.07073	82.1
70.06585	3.4
71.04998	2.9
71.08632	14.8
72.08154	5.9
79.05502	5.7
80.73402	2.4
81.07050	26.0
83.06094	2.8
83.08627	66.0
85.06551	3.1
85.07632	3.0
85.10152	3.5
86.06067	15.2
93.07038	14.0
95.08615	34.7
97.06521	19.3
97.10166	58.3
98.07196	3.0
99.08092	2.8
100.07632	21.8
107.08601	17.6
109.10173	13.7
111.05576	4.7
111.08099	16.2
111.11706	25.7
114.09148	23.9
121.10161	22.8
123.11692	3.5
125.09656	13.8
126.68523	2.6
128.10710	6.2
129.87624	2.5
135.11705	20.6
136.06200	4.5
139.11211	6.4
139.17389	2.4
142.12277	4.4
149.13249	6.1
149.37712	2.4
153.16403	3.2
162.08684	2.6
170.19000	4.1
174.14304	2.3
177.16403	54.5
189.00549	2.7
194.15425	3.1
195.17464	36.7
212.16466	17.6
212.20099	100.0
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	3-aminotridec-2-en-4-one
Peak:m/z	Relative Intensity
50.78199	1.8
55.05522	42.3
57.03443	2.6
57.06813	2.9
57.07080	35.7
58.06602	2.9
64.17165	1.8
67.05518	4.9
67.17424	1.6
67.62450	1.9
69.03421	2.5
69.07066	90.7
71.05012	4.2
71.08630	20.8
72.04515	3.1
72.08146	4.0
73.21370	1.9
79.05486	9.5
79.68575	1.8
81.07067	31.6
83.04976	5.0
83.08625	70.2
85.06539	4.9
85.10194	8.8
86.06076	18.1
93.07043	15.4
95.08608	39.3
97.06541	29.3
97.10165	91.4
99.08067	3.6
100.07613	28.2
104.11060	2.0
107.08600	28.0
109.10143	20.2
111.08086	19.2
111.11702	28.6
114.09158	34.0
121.10124	41.4
123.11703	8.1
125.09619	12.3
128.10712	18.7
132.16324	2.1
135.11694	25.0
136.06198	24.0
139.11198	3.6
142.12296	8.2
146.76758	2.1
149.13263	4.4
153.16351	3.6
156.13831	3.2
170.19026	11.2
177.16377	68.8
195.17430	49.4
212.16670	5.1
212.20093	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	212.2009
Annotation	3-aminotridec-2-en-4-one
Peak:m/z	Relative Intensity
51.50455	1.6
53.96368	1.4
55.05520	42.3
57.07085	33.5
58.06601	2.7
59.05025	1.6
67.05497	10.1
69.03421	2.1
69.07074	100.0
70.23333	1.6
71.04990	3.7
71.08639	22.3
72.04514	2.4
72.08144	7.1
79.05486	8.4
81.06674	1.9
81.07069	30.0
83.04983	9.2
83.08626	62.5
84.08170	2.0
85.06525	4.0
85.10187	3.5
86.06065	17.1
86.09726	2.6
93.07047	22.0
95.08602	38.6
97.06535	25.8
97.10170	75.9
99.08082	4.3
100.07613	31.0
107.08598	21.2
109.10162	18.0
111.08089	21.1
111.11718	24.2
114.09171	26.2
121.10139	38.6
123.11734	4.3
125.09645	14.3
128.10713	13.8
135.11673	20.1
136.06200	15.0
137.13147	3.1
139.11208	7.9
142.12256	3.4
149.13261	2.6
152.81651	1.9
153.16411	2.2
156.13843	2.9
170.19093	3.8
177.16383	59.6
195.17435	44.6
212.14644	2.2
212.16878	3.3
212.20087	97.6
212.23453	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	213.1483
Annotation	12-Oxo-9(Z)-dodecenoic acid
Peak:m/z	Relative Intensity
51.67801	2.6
55.01880	3.8
55.05526	25.7
60.37692	2.6
63.44617	2.9
67.05501	20.1
69.03421	3.3
69.07074	6.6
71.04996	49.3
79.05520	5.9
81.07067	24.3
83.08630	34.5
83.50784	3.0
87.04480	4.5
93.07044	17.9
95.08593	13.9
97.06535	80.3
97.10167	49.9
107.08614	7.7
109.10145	7.1
111.08060	4.5
117.07021	4.0
125.09625	44.0
133.10072	4.4
135.08064	3.2
135.11653	4.9
137.96436	2.8
149.09599	3.9
149.13268	3.6
156.77240	3.3
160.96092	2.8
177.12723	4.3
189.11296	4.9
195.13843	40.0
213.14818	100.0
213.16682	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	213.1483
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
50.88519	1.0
53.03966	1.5
55.01866	1.4
55.05520	14.7
57.03437	6.5
57.07080	1.3
67.05513	65.5
68.36514	1.0
69.07072	25.7
71.04979	7.3
79.05499	28.2
81.07063	100.0
83.04967	9.3
83.08627	22.6
85.06537	3.1
91.05486	17.0
93.07044	62.0
95.04964	2.3
95.08610	26.2
97.06527	15.4
99.08108	1.8
105.07034	8.2
105.20127	1.3
105.46135	1.1
107.08604	35.7
109.10146	2.7
111.08096	8.3
117.07018	10.6
121.10168	13.1
123.11709	9.2
131.08574	8.4
133.10139	16.7
133.50520	1.2
135.08073	1.8
135.11711	21.7
137.66885	1.4
138.69856	1.1
142.16417	1.1
149.13257	34.5
159.11659	14.1
161.89629	1.2
177.12715	6.7
195.13837	9.7
210.96599	1.4
223.94498	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	213.1484
Annotation	Cucurbic acid
Peak:m/z	Relative Intensity
51.96792	0.9
55.01881	1.5
55.05517	15.5
55.67304	0.8
57.03431	5.4
57.07074	1.1
66.18024	0.9
66.93839	0.8
67.05511	69.5
69.07069	20.7
71.05001	7.1
78.64072	1.1
79.05495	31.9
81.03431	1.0
81.07061	100.0
83.04979	6.8
83.08621	23.4
85.06548	4.0
91.05486	19.0
93.07043	60.1
95.04953	5.6
95.08605	24.8
97.06544	12.5
97.10190	1.3
99.04418	1.1
99.08081	1.7
105.07044	5.6
107.08602	35.4
109.10139	4.2
111.08073	9.5
116.94745	1.0
117.07009	11.9
119.08517	1.4
121.10132	13.0
123.11679	8.7
131.07716	1.5
131.08556	12.0
133.10126	20.8
135.08051	2.0
135.11699	19.9
143.31398	1.0
145.10217	1.2
149.12126	1.8
149.13255	36.7
150.38968	0.9
159.11678	19.1
167.14316	1.6
171.11630	1.2
177.12720	5.0
184.24084	1.1
188.13591	1.1
195.13820	10.4
195.15390	1.3
213.16397	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	213.1484
Annotation	Cucurbic acid
Peak:m/z	Relative Intensity
53.03947	0.9
55.05514	7.6
55.13423	0.9
57.03443	18.1
57.07074	1.5
67.05514	54.1
69.03417	1.1
69.07078	15.2
71.01353	9.1
71.04990	5.3
79.05500	47.2
81.03426	8.0
81.07069	26.2
83.04990	16.1
83.08625	6.1
85.06539	5.4
91.05487	11.9
93.07048	61.0
93.07639	2.1
95.04959	4.7
95.08615	8.6
97.06540	16.7
97.10166	8.5
99.08125	1.4
105.07006	1.0
107.04937	1.3
107.08597	43.1
108.73743	1.0
109.10159	5.8
111.08069	1.8
111.11665	1.0
117.07022	6.3
117.96275	1.0
119.08576	11.4
121.06502	1.5
121.10123	15.1
123.11673	1.0
125.06034	1.3
133.10147	4.8
135.11699	100.0
137.09622	4.3
143.35793	1.2
145.10110	18.3
149.13309	1.2
159.11737	1.1
163.11130	14.0
171.92145	1.2
181.12248	17.0
196.16963	1.0
199.10738	1.1
213.16403	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	213.1485
Annotation	Cucurbic acid
Peak:m/z	Relative Intensity
55.05510	8.6
57.03438	21.5
57.07074	1.8
67.05511	56.3
69.07076	14.3
71.01350	7.9
71.04979	3.3
74.94279	1.2
79.05072	2.4
79.05500	46.6
81.03413	8.6
81.07066	28.4
83.04985	15.0
83.08609	2.0
83.71892	1.3
85.06537	6.5
88.07619	2.8
91.05481	13.3
93.07047	64.5
95.04969	2.4
95.08615	10.1
97.06528	18.5
97.10160	7.3
99.08058	2.5
102.98212	1.4
103.98716	1.8
105.07033	2.5
107.08601	41.8
109.06516	2.2
109.10146	8.3
111.04453	2.0
111.08080	2.4
111.75499	1.5
117.07009	7.9
119.08605	10.4
121.06545	2.0
121.10141	16.9
127.71538	1.3
133.10149	7.3
135.08133	1.4
135.11690	100.0
137.09576	2.0
145.10123	19.8
147.64352	1.4
153.12772	1.7
163.11194	14.8
168.03796	1.4
181.12189	18.5
201.30507	1.4
213.16409	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	213.1484
Annotation	Cucurbic acid
Peak:m/z	Relative Intensity
53.03955	0.4
55.01876	0.4
55.05522	5.3
57.03452	2.5
57.07080	3.9
58.88781	0.3
59.27627	0.3
60.50599	0.3
67.05514	21.3
69.07079	8.6
71.04996	2.8
71.08630	1.8
73.35993	0.2
74.06081	2.7
79.05083	0.4
79.05505	10.3
81.03424	0.6
81.07067	34.3
82.07366	0.4
83.04971	1.7
83.08143	0.3
83.08631	8.3
85.06542	2.4
88.07637	11.4
91.05479	6.6
93.07049	19.5
94.07352	0.4
95.04969	1.5
95.08613	10.6
97.06535	5.1
99.08086	0.5
100.07578	0.4
102.09195	5.8
105.07021	2.3
106.16621	0.4
107.04971	0.4
107.08601	11.5
109.06535	0.6
109.10185	1.3
111.08112	3.5
112.08345	0.3
116.10742	1.7
117.07031	2.9
119.08559	0.8
121.06522	0.5
121.10152	5.9
123.11710	3.4
127.03944	0.3
131.08589	3.7
133.10150	7.3
135.08076	0.7
135.11713	5.9
135.73990	0.4
143.08562	1.2
147.11761	0.4
149.12132	0.6
149.13266	12.8
150.13544	0.5
151.11172	0.7
157.10118	1.3
159.11694	6.8
160.12019	0.5
171.11676	0.6
172.16965	100.0
177.12807	2.4
195.13812	3.2
213.16437	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	213.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12980	1.8
53.82608	2.0
54.76226	1.7
55.05516	15.5
56.96559	2.1
57.03434	14.4
57.07072	3.9
64.51366	2.1
67.05183	3.9
67.05511	74.6
69.07064	30.8
69.60300	2.1
71.04980	8.3
79.05502	34.9
81.07065	100.0
83.04985	11.9
83.08627	26.6
85.06542	9.3
88.09985	2.0
91.05496	19.7
93.06477	3.7
93.07046	74.9
95.04939	3.1
95.08608	29.9
97.06526	18.8
97.10100	2.4
99.08105	3.2
105.07022	9.5
107.08605	38.0
109.10159	3.3
111.08085	11.8
117.07004	14.7
119.08580	2.3
119.15828	2.8
121.10133	19.9
131.08578	14.6
133.10095	15.7
135.11690	25.0
149.13251	49.8
159.11655	16.3
161.31906	2.4
171.11737	2.7
177.12753	10.6
195.13869	8.4
213.12592	3.3
213.16405	9.7
213.24052	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	213.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	14.1
57.03429	11.2
57.07080	2.7
61.38064	1.8
62.67987	1.7
65.03960	1.9
66.72445	1.6
67.05510	71.5
69.07077	30.6
71.04978	9.5
76.70027	2.1
79.05503	29.5
81.07062	100.0
83.04980	11.6
83.08627	18.7
85.02888	7.0
85.06542	4.0
91.05460	12.9
93.07041	79.9
95.04964	3.2
95.08612	30.5
97.06520	19.3
99.08084	2.4
102.45125	1.7
105.07044	3.7
107.07928	2.8
107.08607	47.4
109.06497	1.9
109.10143	4.3
111.08067	3.8
116.69149	1.9
117.07006	8.0
119.08539	3.1
121.10143	25.1
123.11726	3.8
131.08583	13.7
133.10132	15.8
135.11687	18.5
149.01233	3.2
149.13260	47.5
159.11674	19.5
163.10876	1.7
177.12740	8.8
185.87082	1.9
195.13773	17.1
213.16379	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	213.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	0.9
54.04220	0.6
55.01878	1.0
55.05521	11.7
57.03191	0.7
57.03444	5.9
57.07087	6.2
60.28312	0.6
67.05511	48.7
69.07072	20.5
71.04990	5.1
71.08643	1.2
72.41169	0.7
73.02910	0.9
74.06090	3.2
76.69625	0.7
79.05500	23.2
81.03425	0.9
81.07062	80.0
82.07406	0.8
83.04987	7.5
83.08626	19.7
85.06543	4.5
86.78280	0.9
88.07638	14.1
91.05485	15.0
92.20988	0.8
93.07044	46.9
93.07642	1.5
94.07351	0.9
95.04947	1.9
95.08607	24.3
97.06531	9.4
97.10142	1.2
99.08072	1.1
102.09171	5.8
105.07041	4.9
107.08597	29.7
109.06541	1.1
109.10183	1.7
111.08064	6.0
116.10751	1.0
117.07008	7.5
119.08534	1.4
121.06477	1.2
121.10130	10.3
123.11711	6.8
123.71873	0.9
125.09605	0.9
131.08574	10.0
133.10123	18.2
135.08028	1.6
135.11693	15.7
139.07495	0.9
147.11705	0.8
149.12137	1.2
149.13263	28.0
150.13602	1.4
151.11131	1.2
157.10156	1.7
159.11679	11.1
171.11702	1.3
172.16951	100.0
177.12747	5.9
195.13821	8.1
205.67160	0.8
213.12718	1.0
213.16484	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	213.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.0
55.05527	5.8
57.07084	1.1
67.05510	2.5
67.84132	0.5
69.03442	1.0
69.07074	11.6
70.06563	0.6
71.04993	2.6
71.08652	0.5
71.59760	0.5
72.08174	1.0
77.65521	0.6
79.05501	2.3
81.06624	0.6
81.07070	13.7
83.08623	8.5
85.06539	2.8
85.24987	0.5
86.09708	2.5
91.05470	0.7
92.20969	0.6
92.21465	1.1
93.07045	10.1
95.08614	30.7
97.10178	8.3
99.08098	29.5
107.08603	32.8
109.10159	8.5
111.08087	16.5
111.11761	0.7
113.09653	2.5
121.10149	59.1
123.11726	1.4
125.09635	7.4
135.11711	12.1
137.13254	11.4
139.11214	2.7
149.13258	4.0
153.07370	0.6
155.06984	0.7
171.11685	0.7
177.16385	100.0
187.34131	0.6
195.17467	14.6
213.16423	1.9
213.18451	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	214.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17941	0.9
56.66962	0.9
58.28449	1.0
58.38033	1.0
67.49285	1.0
69.07079	1.9
93.07027	1.6
94.06546	5.3
96.83471	1.1
106.70058	1.1
108.08135	5.0
109.06519	2.3
110.06033	7.3
112.07619	1.1
122.06033	50.3
123.04434	2.2
130.73666	1.2
136.07576	25.5
140.07069	100.0
154.06544	1.1
154.08623	28.2
164.07053	5.9
165.05487	1.6
168.10172	2.1
169.08633	2.2
171.09143	2.7
176.59058	1.2
182.08150	20.8
196.09744	14.4
211.58411	1.3
214.10748	51.0
214.21968	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	214.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05008	16.6
59.96903	0.7
70.06596	1.6
71.04967	0.7
72.08163	3.3
72.93781	1.6
79.16791	0.7
82.06556	1.2
84.04500	4.3
86.06081	0.7
86.09732	1.4
87.04466	14.8
87.10024	1.2
90.94839	3.4
96.04505	15.2
96.08073	0.8
96.28588	0.6
101.06024	69.4
112.06360	0.7
113.05881	17.0
114.05524	1.1
114.06648	3.7
122.02393	94.5
128.08199	24.7
128.09097	1.2
136.03967	1.0
136.20895	0.8
137.09479	0.9
140.03430	4.1
140.07071	1.6
149.96097	5.0
154.05019	3.6
154.08617	0.9
154.09729	1.1
164.03426	63.8
167.97197	2.9
168.10213	1.2
168.11432	0.8
172.06038	20.0
181.08469	6.9
182.09328	6.5
196.06097	4.0
199.07666	1.1
199.08015	0.8
199.09525	42.4
214.07193	11.9
214.11903	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.1436
Annotation	N-Heptanoylhomoserine lactone
Peak:m/z	Relative Intensity
50.26580	0.4
53.56868	0.4
55.01877	0.7
55.05516	0.6
55.57153	0.4
57.07968	0.4
58.84099	0.5
65.45865	0.4
67.05513	7.9
69.07071	1.0
70.06577	0.6
79.05492	2.6
81.07062	4.4
83.04969	3.3
83.08611	1.1
85.06543	2.0
89.40662	0.5
91.05476	17.4
93.07036	3.5
95.04974	2.3
96.17085	0.5
97.06555	0.6
101.02386	0.7
105.07030	6.7
107.08588	8.2
109.06504	1.1
109.10157	16.3
113.05968	1.2
117.07011	3.7
119.08571	5.1
121.66537	0.5
122.06017	0.8
123.11716	3.7
128.06252	0.5
131.08524	0.9
133.10126	100.0
135.08080	0.9
135.11694	0.6
137.09592	2.7
140.07079	1.0
143.08554	5.7
151.11174	40.8
161.09610	29.7
168.13814	1.0
168.93410	0.5
169.12178	1.2
178.12219	0.7
179.10657	28.6
196.13319	11.7
197.11702	10.1
214.10667	1.0
214.14349	9.9
215.12776	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	214.155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01368	0.9
60.05643	5.3
69.07075	45.5
86.06077	15.1
86.09752	1.2
87.04478	24.5
104.07100	9.2
128.08218	9.0
129.06598	1.8
146.09254	100.0
153.38618	1.0
191.59250	1.1
214.15521	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	214.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01734	0.8
53.31676	0.6
53.40406	0.6
55.05530	0.8
55.85371	0.7
56.05042	20.9
60.04541	1.0
60.05656	1.3
61.92339	0.7
67.05516	7.0
69.07072	12.0
70.06584	1.1
72.93801	0.8
76.05144	0.8
77.11600	0.7
81.07059	1.3
84.04513	1.4
84.05634	1.1
90.94839	3.3
91.05490	1.3
93.07030	1.8
95.08593	7.0
109.10157	26.0
110.09665	1.2
111.08090	1.2
111.11713	1.8
113.96385	0.7
119.08591	6.1
126.12776	1.2
129.06665	1.2
132.23802	0.8
136.11186	3.3
137.09608	8.1
149.94041	1.1
149.96107	4.2
153.13892	1.3
154.12270	100.0
155.10588	0.9
167.97163	2.0
168.13715	1.0
172.13312	98.5
173.11763	1.3
179.11697	1.3
185.77463	0.9
196.14563	7.6
197.12669	0.8
214.15549	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	214.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45968	1.5
55.05520	37.9
57.03438	1.9
67.05523	23.2
69.07078	47.9
71.05000	2.9
79.05489	12.0
81.07068	80.1
83.04988	7.6
83.08630	49.0
85.06559	7.5
91.05495	9.4
93.07055	15.5
95.08611	100.0
97.06532	17.6
97.10169	22.0
99.08107	3.5
101.06024	1.8
105.07060	20.8
107.08614	7.3
109.06528	4.3
109.10165	12.5
111.08084	7.3
119.08591	36.9
121.10152	9.3
122.06053	2.5
123.08056	14.3
127.07555	2.5
133.10132	24.1
135.11691	17.8
137.09631	3.1
137.13269	29.1
140.07108	3.1
149.96066	2.3
161.13263	60.0
172.83148	2.3
179.14246	13.9
196.16948	20.3
198.57449	2.2
214.18053	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	214.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43459	0.8
55.05518	6.6
57.07082	1.7
64.89131	0.9
67.05509	23.8
69.07074	16.8
71.04996	3.8
72.64753	1.2
79.05509	2.0
81.07064	43.2
83.08627	19.0
85.06541	9.2
85.29375	1.0
88.07637	1.7
91.05497	1.8
93.07047	4.5
95.08611	100.0
97.06535	9.4
97.10173	4.8
99.08116	2.3
105.07038	5.1
107.08613	1.4
109.10159	20.4
116.78631	1.1
117.42545	1.2
119.08544	7.7
121.10141	1.6
122.94317	1.0
123.08112	1.4
133.10141	9.0
135.11702	5.5
137.13289	7.4
139.39406	1.0
142.30254	1.3
149.94044	1.4
161.13245	27.3
179.14287	16.6
197.15388	6.7
214.10873	1.3
214.18185	6.9
214.21614	8.2
214.25331	5.4
215.16440	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	214.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35806	0.4
51.89391	0.5
52.21518	0.6
54.78994	0.5
55.05520	7.3
57.07080	6.5
67.05509	22.5
67.05843	1.2
69.07072	17.8
69.58582	0.6
71.04982	2.9
71.08631	3.7
79.05504	5.2
81.07060	40.2
83.04969	1.0
83.08628	15.1
85.06548	10.8
85.10184	0.9
90.94832	0.7
91.05482	3.0
93.07019	4.8
95.08607	100.0
97.06537	8.0
97.10161	3.5
99.08096	2.4
105.07037	4.1
107.08589	1.4
109.09429	1.2
109.10165	22.0
111.08100	1.4
113.09639	0.7
119.08557	7.1
121.10174	2.9
123.08059	2.4
133.10138	5.1
135.11688	6.2
137.09636	1.0
137.13245	6.1
141.09120	0.7
149.96219	0.6
151.14836	0.8
161.13242	25.1
179.14307	14.4
196.16922	0.9
197.15372	7.6
198.55222	0.6
214.17958	4.7
214.25290	48.6
215.16475	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	214.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45968	1.5
55.05520	37.9
57.03438	1.9
67.05523	23.2
69.07078	47.9
71.05000	2.9
79.05489	12.0
81.07068	80.1
83.04988	7.6
83.08630	49.0
85.06559	7.5
91.05495	9.4
93.07055	15.5
95.08611	100.0
97.06532	17.6
97.10169	22.0
99.08107	3.5
101.06024	1.8
105.07060	20.8
107.08614	7.3
109.06528	4.3
109.10165	12.5
111.08084	7.3
119.08591	36.9
121.10152	9.3
122.06053	2.5
123.08056	14.3
127.07555	2.5
133.10132	24.1
135.11691	17.8
137.09631	3.1
137.13269	29.1
140.07108	3.1
149.96066	2.3
161.13263	60.0
172.83148	2.3
179.14246	13.9
196.16948	20.3
198.57449	2.2
214.18053	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	214.18
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82193	0.5
55.05520	8.6
57.03415	0.6
57.07077	0.9
60.20822	0.5
62.43561	0.6
63.33841	0.6
64.40200	0.6
67.05511	24.5
69.07074	18.8
71.04993	3.3
79.05496	4.6
81.07062	43.8
83.08627	16.4
85.06549	10.6
91.05487	3.6
93.07037	4.5
95.08607	100.0
97.06534	8.0
97.10160	2.8
99.08083	2.6
101.05988	1.1
105.07034	3.4
105.46870	0.7
107.08595	1.1
109.10152	21.5
111.08077	0.8
119.08567	8.3
120.56779	0.6
120.86713	0.6
121.10128	2.9
123.08073	1.4
133.10120	8.8
135.11687	3.9
137.13266	6.7
141.09138	1.1
149.96043	0.6
161.13252	26.8
179.14302	13.9
189.28679	0.6
196.16978	0.9
197.15343	7.0
214.18010	4.8
214.25304	0.9
214.59985	0.7
215.16414	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
55.05292	0.5
55.05521	10.0
57.03444	1.2
57.07084	5.8
67.05511	25.5
69.07072	19.2
71.05003	4.3
71.08636	3.5
79.05494	3.8
81.07063	41.9
83.04952	0.6
83.08630	16.9
85.06559	9.5
91.05492	4.2
93.07057	5.1
95.08611	100.0
97.06535	7.7
97.10166	4.6
99.08072	2.4
100.24655	0.5
105.07054	5.0
107.08603	3.1
109.06561	0.7
109.10161	21.3
111.08067	2.3
115.07561	1.4
119.08569	8.6
121.10114	1.3
123.08099	1.3
127.07549	1.0
130.36313	0.5
133.10135	6.5
135.11670	5.3
137.09610	1.0
137.13260	5.2
141.09067	0.8
151.14879	1.1
161.13260	27.5
179.14302	14.3
196.16975	1.4
197.15349	7.3
214.18152	5.4
214.25305	68.6
215.16405	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	214.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64814	0.5
53.03950	0.5
55.05519	9.8
57.03436	0.6
57.07066	2.0
59.10379	0.5
64.90830	0.5
67.05510	22.6
69.07066	18.8
71.04990	3.1
78.49345	0.6
79.05497	4.7
80.95684	0.6
81.07059	46.2
83.08624	18.0
85.06547	9.7
91.05464	4.2
93.07067	3.8
95.08607	100.0
97.06529	8.5
97.10167	5.3
99.08085	3.7
105.07028	4.1
107.08572	2.3
109.10148	22.5
111.08093	2.2
113.09626	0.9
115.04576	0.6
115.07574	0.7
119.08588	8.9
121.10168	2.6
123.08080	1.2
127.07559	0.6
133.10121	7.9
135.11685	5.4
137.09622	2.3
137.13240	7.3
149.13295	0.9
149.97098	0.6
151.14828	2.6
161.13245	26.2
179.14307	15.8
196.16965	2.1
197.15373	8.0
212.35594	0.6
214.10684	0.8
214.18031	5.7
214.25298	3.3
214.52647	0.5
215.16455	6.7
227.66074	0.6
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
54.98721	0.7
55.05524	8.5
57.03432	0.7
57.14736	0.7
64.50783	0.6
67.05508	24.6
69.07074	16.6
71.04996	3.5
79.05487	5.4
81.07064	44.4
82.90328	0.8
83.04972	0.9
83.08623	15.9
85.06541	10.2
91.05485	3.3
92.20882	0.9
92.21390	2.9
93.07039	4.5
95.08608	100.0
97.06532	8.4
97.10155	4.2
99.08096	3.9
105.07055	6.2
106.44409	0.7
107.08630	1.5
109.10159	22.7
111.08089	1.6
115.07581	1.5
119.07953	0.7
119.08604	10.3
121.10173	3.0
123.08086	0.9
126.65178	0.8
133.10130	9.4
135.11703	5.4
137.09602	1.5
137.13245	7.2
151.14854	1.3
161.13249	31.1
179.14291	19.9
196.16931	2.0
197.15416	7.6
214.18013	7.2
215.16306	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	214.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28717	0.5
52.55575	0.5
55.05524	9.6
57.03448	1.1
57.07075	1.1
61.07383	0.5
65.83364	0.6
67.05510	26.7
69.07073	19.3
71.04996	4.9
71.08666	0.5
74.08140	0.6
74.59620	0.5
79.05489	4.4
80.92635	0.6
81.07064	48.7
83.04978	1.0
83.08624	16.6
85.06544	9.5
91.05486	3.9
92.20947	1.2
92.21450	1.1
93.07054	4.2
95.08609	100.0
96.32887	0.7
97.06541	7.5
97.10172	5.6
99.03400	0.6
99.08096	4.0
101.06039	0.6
105.07043	4.1
107.08591	1.4
109.06580	0.6
109.10156	22.7
111.08072	1.5
113.09610	1.2
115.07571	1.1
119.08587	8.2
121.10146	3.8
123.08047	0.9
123.11633	0.8
127.07508	0.8
133.10153	7.1
135.11729	5.1
137.09604	1.3
137.13271	6.3
151.11232	0.7
151.14796	2.3
161.13257	29.1
173.16457	1.3
179.14305	15.8
196.16977	1.4
197.15352	7.8
214.14667	0.9
214.18207	5.3
215.16441	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	214.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57232	0.5
51.69373	0.5
55.05520	9.2
57.03434	0.8
57.07075	4.2
59.38159	0.5
67.05511	22.1
69.07079	16.1
71.05008	5.1
71.08617	2.9
74.06062	3.1
79.05508	4.3
81.07066	42.7
81.07547	1.4
83.08627	15.3
85.06549	8.8
88.07634	11.2
91.05463	3.4
93.07041	6.0
94.73772	0.6
95.08612	100.0
96.63393	0.7
97.06538	7.2
97.10162	6.1
99.08077	3.3
100.07565	0.7
102.09184	7.2
105.07065	4.7
107.08582	1.1
109.06577	0.6
109.10167	20.6
111.08073	1.4
116.10759	1.4
119.08582	7.2
121.10115	1.5
123.08119	1.0
123.11726	0.9
127.07507	0.8
133.10144	6.9
135.11707	4.8
137.09634	1.2
137.13248	5.4
149.13298	0.7
151.14793	2.7
161.13243	23.2
179.14313	13.6
196.16919	0.9
197.15382	5.6
214.18054	4.6
214.21655	62.9
214.25256	3.7
215.16393	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	214.2527
Annotation	Tetradecylamine
Peak:m/z	Relative Intensity
50.25935	0.4
55.05507	0.8
57.07077	8.2
60.40262	0.4
60.67897	0.5
67.05499	3.6
69.07061	2.8
71.08636	4.9
73.06131	0.5
81.07068	5.9
81.49488	0.4
83.08604	1.2
85.06550	1.1
85.10156	2.3
95.08608	12.9
109.10137	2.6
109.75333	0.5
147.86313	0.5
149.96019	0.9
156.80432	0.5
161.13228	2.7
179.14304	2.6
197.15364	0.8
214.25284	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	214.2526
Annotation	Tetradecylamine
Peak:m/z	Relative Intensity
53.59826	0.3
55.05524	0.3
56.53663	0.3
57.07081	7.2
61.85089	0.3
62.76207	0.4
65.62717	0.3
66.93360	0.3
67.05476	0.3
71.08637	3.4
77.06760	0.3
81.07079	0.5
85.10177	1.9
95.08607	1.5
98.10417	0.4
133.95786	0.3
138.03812	0.3
145.35677	0.3
178.56921	0.4
179.63741	0.5
214.25288	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0428
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83937	37.1
57.26213	39.9
61.72130	41.6
61.96577	48.1
66.24880	43.2
70.21713	44.5
80.81879	42.4
151.72040	57.4
152.96570	49.2
214.56804	49.1
215.04256	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	4.1
59.19897	1.4
59.61919	1.4
61.62280	1.5
63.24387	1.4
66.08584	1.5
70.06590	20.3
70.37985	1.5
72.06629	1.7
72.08158	66.5
72.93760	1.7
76.32429	1.8
84.04513	1.7
86.09702	2.8
91.91228	1.6
110.07106	1.5
116.07093	100.0
126.06442	1.5
129.99544	1.8
131.97440	11.6
132.95866	22.3
134.08270	1.8
140.72687	1.6
149.98509	3.0
150.96870	19.8
155.97404	6.4
170.61940	1.9
173.98451	15.6
191.97180	9.9
191.99513	6.6
197.11246	2.3
198.07753	1.7
214.30995	2.0
215.04350	11.7
215.13951	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	215.054
Annotation	2-Hydroxy-6-oxonona-2,4-diene-1,9-dioate
Peak:m/z	Relative Intensity
52.10901	62.1
53.63456	62.3
61.99583	61.1
67.88793	63.5
73.05119	79.0
83.64933	66.1
91.63058	77.4
114.06650	100.0
147.88333	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	215.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03478	2.5
55.05543	1.3
56.05047	100.0
57.05859	1.3
61.33789	1.4
67.05494	4.9
68.05034	2.1
68.82200	1.2
69.07089	10.2
72.04523	7.9
74.02428	8.1
74.06086	75.6
75.85748	1.3
78.38677	1.3
81.07076	1.4
84.04507	5.5
85.02882	1.3
86.22790	1.2
90.94831	1.4
92.67239	1.4
95.08611	12.1
96.08134	7.2
97.06559	1.7
97.08934	1.8
99.05615	5.7
99.08126	1.4
102.05553	53.7
111.98497	2.0
114.09176	27.3
120.06604	16.2
121.22779	1.3
121.66818	1.4
121.85878	1.3
122.09676	3.2
122.52935	1.4
131.97447	7.2
132.95844	19.9
149.96101	2.5
149.98534	2.9
150.96899	21.2
155.97437	5.6
156.06522	1.3
173.98489	10.7
191.97162	6.3
191.99638	2.6
198.11250	98.1
198.15024	2.5
204.66487	1.4
215.07332	1.5
215.13982	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	215.1642
Annotation	3-Oxododecanoic acid
Peak:m/z	Relative Intensity
55.05311	1.3
55.05526	19.5
56.18036	1.2
57.03450	1.7
60.46278	1.2
66.84493	1.1
66.88293	1.1
67.05511	21.3
69.07076	24.9
71.04988	13.6
73.02879	4.0
76.56449	1.5
79.05498	10.9
81.07068	77.1
83.04977	5.6
83.08623	23.1
85.06548	21.0
90.94833	1.4
91.05479	11.0
93.07053	15.9
95.08614	100.0
97.06537	19.7
97.10177	10.4
99.08089	8.6
101.06036	1.4
105.07050	22.0
107.08607	7.8
109.06506	3.3
109.10159	14.1
111.08085	7.3
113.09655	2.9
115.07544	1.8
119.08588	36.4
121.10152	8.8
123.08107	10.7
127.07587	1.9
131.08566	2.1
131.97495	2.3
132.95825	11.0
133.10143	37.4
135.11707	22.6
137.09625	5.6
137.13271	19.7
149.96083	2.3
149.98486	2.2
150.96860	12.1
155.97371	2.2
159.08115	1.6
160.11406	1.3
161.13249	82.6
161.29854	1.2
169.10083	1.9
173.98497	5.4
179.14314	41.8
191.97121	2.2
191.99496	1.7
197.15320	14.3
215.07057	2.2
215.10730	1.8
215.14426	5.8
215.17888	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	215.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76717	1.3
55.05516	9.4
56.05038	10.0
57.07074	10.5
58.06610	6.9
58.65408	1.4
60.42425	1.4
62.06086	7.0
64.39162	1.5
66.93562	1.4
67.05503	23.9
68.05035	3.9
68.42046	1.3
69.07071	27.4
70.02957	2.9
70.06583	12.9
71.08627	7.3
72.08139	7.2
79.05501	28.4
81.07063	29.1
82.06582	28.7
83.04997	1.5
83.08613	8.0
84.08130	14.2
91.05480	9.4
93.07040	50.7
95.02958	1.4
95.04974	2.2
95.08610	21.8
96.08122	34.3
97.06530	2.2
105.07003	3.2
107.08588	42.3
109.10162	18.6
110.09661	17.7
117.06994	1.9
119.08585	6.5
121.10155	6.5
123.10425	2.6
131.04922	1.5
131.08600	5.1
131.81732	1.7
131.97392	3.1
132.95840	2.9
133.10092	7.4
135.11691	24.3
141.06920	1.5
145.10097	13.0
149.96231	1.6
149.98456	1.7
150.96872	16.7
152.14333	100.0
153.12755	2.0
155.97462	2.6
156.17490	7.8
159.11658	11.5
169.10074	2.2
171.11653	1.6
173.09566	3.3
173.13278	3.6
173.98442	3.0
174.16983	3.4
174.18517	98.2
174.39423	1.5
180.13841	25.3
182.10838	1.5
187.11089	2.0
187.14816	2.0
191.97102	2.3
197.09477	2.1
197.13214	1.8
197.47614	1.4
198.14886	10.6
215.06970	5.9
215.10663	12.0
215.12494	2.2
215.14410	21.4
215.17874	39.6
220.27052	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	216.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.4
56.05038	1.5
57.03445	1.3
58.02948	1.2
60.05642	1.6
63.10912	0.9
63.79536	0.8
66.41837	0.9
67.10598	1.0
69.03435	1.5
69.99323	1.4
70.04087	9.5
70.06587	2.6
72.04526	1.4
72.08162	7.6
73.02924	8.2
73.04028	2.5
74.02442	5.7
83.02478	1.1
84.04510	22.4
84.05617	1.7
84.08144	6.0
85.02896	2.3
85.04018	5.8
86.09676	1.0
89.10794	0.9
91.04607	0.9
91.06506	0.9
96.16628	1.0
98.03522	8.7
99.01933	2.1
100.03974	4.3
100.05105	5.2
101.02380	6.9
101.03512	10.6
110.02399	6.7
110.07184	1.7
111.01952	1.2
112.03972	4.5
113.03468	2.4
116.07035	1.1
116.32604	1.0
126.02998	22.0
126.06687	1.6
127.01398	17.7
127.05023	4.7
128.03441	33.8
128.04549	13.9
128.07066	1.7
129.02969	10.0
130.05002	1.8
132.95815	1.2
137.03482	5.6
138.06604	1.4
139.01332	1.2
141.02953	2.6
142.02472	1.9
144.04044	100.0
145.02444	9.9
146.04454	14.8
154.06104	10.0
155.04524	7.5
156.02893	6.0
156.04005	3.9
156.07719	1.5
157.06042	2.4
166.06169	1.4
173.05592	7.8
181.02408	4.9
184.07149	4.9
198.04988	9.5
198.08827	1.5
199.03499	4.9
199.14421	2.1
216.06094	26.0
216.09564	7.7
216.11543	5.3
217.04613	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	216.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21904	0.7
55.01876	1.0
55.05516	1.5
56.05033	0.7
57.00534	0.7
57.03423	1.0
57.07082	0.8
60.04243	1.0
60.04534	20.4
67.05496	3.3
69.03429	1.7
69.07073	26.1
73.06555	4.2
73.17024	0.6
74.67110	0.8
74.74376	0.6
79.05499	7.6
81.07067	3.9
83.05007	0.9
83.08625	1.8
85.02923	1.1
86.06073	0.9
86.09713	63.8
87.04449	1.2
91.05479	3.6
93.07079	9.2
94.06581	1.0
95.04985	0.8
95.08586	0.8
96.04504	0.9
97.06534	4.8
97.10178	2.9
101.03564	0.9
101.64211	0.9
102.09163	1.0
103.05048	1.8
107.04974	7.3
107.08601	13.3
109.06535	1.4
109.10129	1.2
110.06055	1.0
111.08086	4.6
111.09220	13.7
114.09167	3.4
115.07573	15.1
117.07040	6.1
121.00763	1.7
122.06037	4.2
124.03996	1.0
125.09654	8.3
128.07045	0.7
128.11847	28.6
129.10242	23.7
132.10211	16.2
132.95866	1.7
135.08058	19.3
138.05505	6.0
139.01842	3.9
142.12238	0.9
144.02365	3.2
144.95816	0.8
145.06482	1.2
150.96857	1.0
153.09103	20.0
153.10260	1.3
155.07031	3.4
156.06555	1.5
156.11333	12.8
157.09738	48.1
158.11832	1.4
159.11780	0.8
162.03453	1.6
163.07538	8.4
166.05008	0.8
170.08099	1.1
170.11728	4.0
170.12964	12.9
171.10158	3.0
171.11378	1.1
174.12384	100.0
181.08601	8.0
184.09544	1.1
184.10924	1.6
198.07645	1.2
198.12537	1.0
199.09431	0.9
199.10985	1.8
203.04100	0.8
216.13463	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	216.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	1.6
57.03439	0.9
58.04081	0.4
60.04532	11.0
60.05646	2.9
67.05508	1.1
69.07057	2.9
69.10765	0.4
70.06580	3.3
71.04983	0.9
71.14183	0.5
72.04504	1.1
72.08147	2.0
73.08492	0.5
74.02432	0.7
74.06076	0.8
75.04482	0.6
76.05128	0.4
82.06593	0.9
83.06096	1.1
84.04499	1.0
84.05651	0.5
84.08134	2.9
85.04008	0.5
85.36133	0.4
86.09695	2.0
87.10059	0.8
89.35321	0.4
92.21587	0.5
95.04899	0.6
96.05592	1.9
97.06530	7.0
98.06851	0.9
98.97577	0.7
100.07616	0.6
101.06035	0.8
102.05566	1.2
104.03465	2.0
110.06052	7.6
110.07156	0.8
114.09166	1.0
115.07560	2.7
116.07061	1.1
116.08186	0.5
116.98650	0.8
121.00785	5.1
124.07788	1.7
124.08709	46.0
125.05982	2.8
125.07028	0.9
126.06625	2.3
128.10674	1.1
130.08624	0.8
130.09691	0.7
132.95815	3.0
132.96819	0.6
134.07077	3.5
134.99599	0.7
135.05536	0.8
138.05487	0.5
139.01826	7.2
139.07535	0.6
141.06573	0.6
142.08636	10.0
144.02353	3.8
150.96846	2.9
152.08188	100.0
155.97441	0.9
156.07718	0.6
156.11331	3.8
157.08571	5.5
158.09149	1.7
158.11794	1.0
162.03383	4.5
167.08148	3.0
170.08165	0.9
170.11740	0.8
170.12993	0.7
170.15414	2.3
184.10809	53.9
193.00122	0.6
198.12425	2.2
216.08673	0.8
216.13510	21.3
216.15721	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	216.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73271	0.6
56.05034	1.1
57.03442	1.0
57.10621	0.5
60.04530	11.5
60.05653	17.6
60.48077	0.6
67.05497	3.5
69.03415	0.8
69.07072	13.3
70.06593	14.8
71.04993	4.4
75.04477	2.4
76.05128	0.9
79.05490	0.8
82.04198	0.7
82.06581	0.9
85.02951	0.6
86.06043	0.6
88.07673	1.1
91.13096	0.6
96.05638	0.7
97.06527	28.4
100.07593	0.8
102.06699	0.6
110.06036	4.3
110.09721	0.6
110.84093	0.6
112.08781	1.3
114.09171	1.1
115.07568	16.6
116.07114	1.2
121.00795	3.3
124.08713	55.4
125.05994	7.2
126.06644	2.5
129.95193	0.6
130.09764	27.1
134.07178	0.9
139.01837	2.9
140.08211	4.7
141.06499	0.9
142.08641	9.3
143.24745	0.6
144.02380	1.1
148.10831	4.4
152.08189	100.0
156.11311	6.0
157.08594	56.0
158.09276	0.9
162.03342	1.0
166.09877	0.6
167.08180	1.4
180.03133	0.7
184.10811	71.8
189.01358	0.6
192.07159	0.7
198.16100	11.2
216.06633	4.8
216.13469	50.8
216.17068	24.3
228.58429	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	216.1592
Annotation	Ethyl 3-(N-butylacetamido)propionate
Peak:m/z	Relative Intensity
51.48768	0.8
55.05514	1.4
57.03436	1.3
57.07073	3.6
58.06614	0.9
67.05514	6.3
69.07072	26.7
71.04978	1.0
72.30598	0.8
79.05492	5.5
81.07064	7.6
83.04993	2.0
83.08627	5.3
83.80094	1.0
86.06049	3.1
87.13573	0.8
93.07035	8.5
95.08604	5.7
97.06531	11.8
100.07607	5.7
107.08598	10.5
109.10159	5.6
111.08088	4.8
111.11742	5.7
114.09157	5.4
121.10137	1.7
128.14388	2.0
135.11694	40.5
145.10135	4.9
152.14343	26.9
153.12750	20.5
163.11186	5.0
170.15366	11.1
180.13858	5.2
181.12254	3.3
198.14890	100.0
199.13303	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	216.1593
Annotation	Ethyl 3-(N-butylacetamido)propionate
Peak:m/z	Relative Intensity
55.05528	0.9
55.87019	0.6
57.03439	1.1
57.07081	1.4
58.06588	0.9
61.30138	0.7
67.05507	3.9
69.07070	22.1
71.08625	1.1
72.08155	1.1
79.05497	3.9
81.07076	6.8
81.94580	0.7
83.08617	4.8
86.06075	1.6
92.90440	1.8
93.07050	10.2
95.08605	5.6
97.06528	9.6
100.07607	7.1
107.08596	12.9
109.10158	3.4
111.08082	4.5
111.11725	6.8
114.09161	5.3
116.97188	1.0
121.10170	3.9
128.14343	0.8
133.93022	9.0
135.11696	38.4
145.10129	3.6
151.94092	15.0
152.14325	26.6
153.12749	21.0
163.11182	4.8
169.95135	1.7
170.15416	10.7
174.95735	1.4
175.09743	0.9
180.13823	5.3
181.12245	1.2
198.14888	100.0
199.13246	1.9
217.14278	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	216.1592
Annotation	Ethyl 3-(N-butylacetamido)propionate
Peak:m/z	Relative Intensity
55.05502	1.3
56.16916	0.8
57.03438	1.8
57.07071	1.9
67.05490	5.0
69.06702	1.0
69.07071	23.6
71.04990	1.4
72.08144	1.5
76.09476	0.7
79.05486	4.6
81.07058	6.7
83.08614	4.2
85.06550	0.9
86.06049	3.6
92.90418	1.9
93.07037	9.6
95.08619	7.5
96.08112	1.2
97.06532	10.8
100.07605	4.6
102.42858	0.8
107.08597	9.6
109.10133	3.1
111.08080	4.5
111.11729	7.9
114.09179	4.6
116.97217	1.4
121.10123	1.8
133.93047	16.4
135.11691	42.9
145.10139	2.0
151.94086	27.5
152.14328	26.7
153.12747	20.2
163.11163	4.2
169.95187	3.4
169.97559	1.0
170.15402	10.9
174.95712	2.0
180.13817	3.5
181.12218	1.2
188.79919	0.9
198.14888	100.0
199.13278	4.2
206.74937	0.8
217.14392	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	216.1595
Annotation	Ethyl 3-(N-butylacetamido)propionate
Peak:m/z	Relative Intensity
50.27601	0.8
52.09201	0.9
52.41862	0.9
55.01876	1.8
55.05521	7.7
57.03442	2.6
57.07079	6.6
61.59251	0.9
67.05515	7.9
69.07075	28.3
71.05004	2.6
71.08636	2.3
74.69791	0.9
74.96305	1.2
76.21688	1.2
79.05503	7.7
81.07059	10.6
83.08631	12.5
85.06580	1.7
85.52984	0.9
86.06069	5.0
93.07044	14.1
95.08617	11.0
97.06532	11.5
97.10173	5.0
100.07610	5.2
107.08621	13.6
108.62055	1.1
109.10155	4.9
111.08096	6.8
111.11716	7.4
114.09151	4.6
121.00772	5.5
121.10132	6.7
133.38011	1.1
135.11705	41.3
139.01790	8.9
144.02380	4.0
145.10123	2.4
152.14354	32.1
153.12743	21.7
159.14467	1.0
162.03421	2.6
163.11183	5.4
163.14796	1.6
170.15414	11.0
180.13808	2.0
181.12193	1.9
198.14890	100.0
198.18520	52.6
199.13316	4.2
207.93094	1.3
214.89520	1.1
216.16241	1.0
216.19633	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	216.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51636	1.0
55.05521	1.4
56.91640	1.0
57.03439	7.7
58.06598	1.7
62.19805	1.1
67.05510	2.7
69.07054	5.4
70.06594	17.5
70.08959	1.3
71.05000	9.3
72.04517	2.5
72.08151	7.5
79.05494	5.3
81.07058	16.2
82.06590	9.6
84.04518	10.6
84.08134	2.3
85.06544	10.7
86.06044	1.3
92.21491	2.3
93.07043	5.4
94.06590	1.7
95.04989	1.3
95.08611	12.6
96.08113	5.4
97.02895	1.5
97.10166	1.8
98.06073	3.2
98.09682	2.0
99.04421	1.7
104.67612	1.2
105.07034	1.8
107.08584	6.5
113.09658	2.9
119.08607	2.6
121.00763	6.8
121.10144	7.6
123.08054	2.0
125.09691	5.1
130.09807	1.8
132.95824	2.7
135.11703	14.5
139.01826	14.9
139.07620	1.5
142.12280	1.6
144.02393	2.8
145.10150	6.7
151.97018	1.4
152.14351	11.2
153.12712	13.3
157.97849	1.3
162.03419	8.0
162.12746	13.0
163.11160	6.2
174.98288	1.4
180.13837	45.8
181.12201	2.8
184.14435	6.2
188.07059	6.9
198.14893	100.0
216.06523	27.3
216.10423	1.8
216.12610	1.8
216.15672	58.1
229.70107	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	216.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70410	0.5
55.05518	0.5
55.45660	0.6
60.05652	0.5
67.05506	3.3
68.05042	0.6
69.03442	1.5
69.06824	0.5
69.07079	8.7
70.06593	9.4
71.05006	4.9
74.19717	0.5
74.85473	0.6
81.68123	0.6
86.06073	72.9
87.04471	51.9
95.08617	13.3
97.89796	0.7
98.06060	13.8
100.07620	5.3
112.07604	1.2
113.09618	1.0
119.79340	0.8
124.07621	2.6
126.09089	0.9
130.08870	1.1
130.09770	15.3
130.12276	20.7
148.10840	1.2
180.13866	2.9
198.14853	100.0
216.15694	30.0
216.65422	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	216.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32971	0.9
60.98208	0.9
61.52879	1.1
67.05506	2.3
69.03438	1.0
71.05015	2.0
73.30878	0.9
86.06074	76.8
87.04474	43.1
95.08595	13.5
98.06055	15.0
100.07624	4.2
112.07684	1.3
113.09647	1.2
121.00848	1.4
130.12276	14.5
130.93681	1.0
175.22144	1.2
179.53944	1.0
181.94769	0.9
198.14897	100.0
216.15955	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	216.1958
Annotation	12-Aminododecanoic acid
Peak:m/z	Relative Intensity
53.88110	1.3
55.01873	2.1
55.05518	42.8
57.03442	2.5
57.07080	26.2
59.04998	1.6
66.75271	1.3
67.05505	11.7
69.03423	1.4
69.06702	2.1
69.07074	60.8
71.04986	8.0
71.08633	12.7
72.04510	2.9
72.08170	2.4
72.31297	1.2
73.06566	2.1
78.57114	1.3
79.05498	6.4
81.06622	2.3
81.07066	46.9
83.04977	7.7
83.08623	100.0
85.06534	6.7
85.10184	5.3
86.06078	11.3
86.09709	1.8
93.07046	25.5
95.08607	32.4
97.06538	27.3
97.10175	70.0
99.08075	2.5
100.07625	12.6
101.06012	5.3
104.01516	1.3
104.74930	1.4
107.08600	45.7
109.10142	11.6
109.47425	1.3
111.08081	25.1
111.11722	6.0
114.09174	8.8
115.07555	5.5
115.11193	1.5
121.00797	2.4
121.10144	39.7
123.11644	9.8
125.09633	19.9
128.10725	5.3
129.09088	5.3
135.11659	12.2
139.01851	5.3
139.11142	10.3
139.14839	2.0
142.12300	2.4
142.65097	1.3
144.02406	1.7
148.08667	1.3
156.17444	2.4
162.03333	2.4
163.14804	97.8
181.15862	47.1
183.65889	1.2
183.87653	1.3
196.84079	1.4
198.14960	1.8
198.18521	28.9
198.20189	2.0
198.84517	1.6
199.16908	5.0
216.19670	11.2
217.45775	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	217.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.5
56.96573	0.9
57.03437	1.2
58.02962	1.5
64.17952	1.2
67.58488	1.0
69.03433	53.8
70.06596	2.0
72.04514	5.3
72.08157	19.4
75.00723	1.1
84.04508	56.3
85.02899	15.2
88.63528	1.1
95.01314	14.0
101.02379	5.2
103.02530	1.2
105.54655	1.2
112.03967	71.3
113.02365	38.7
115.08730	1.8
116.07065	2.6
119.01900	2.4
128.03439	10.9
129.01860	2.4
129.02974	4.8
130.05003	30.6
138.01901	1.4
145.02434	1.6
145.03482	5.5
146.04480	13.0
155.04526	17.8
156.03021	1.4
157.02386	2.4
158.08131	5.1
174.03990	12.0
199.03476	27.3
200.10187	1.4
217.04582	100.0
217.06825	14.9
217.09013	6.1
217.12981	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	217.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93530	0.9
54.54037	0.9
56.05038	1.5
60.31059	0.8
69.03433	52.1
70.06571	4.4
71.05021	1.1
72.04525	2.1
74.06078	4.4
84.04510	49.5
84.08167	1.4
85.02904	16.2
88.03968	1.2
93.31628	1.0
95.01329	14.8
101.00874	1.5
101.02386	4.8
112.03970	67.3
113.02374	38.1
115.08612	2.1
116.07107	9.3
119.01897	1.8
126.94172	1.1
128.03456	8.8
129.01854	1.6
129.02963	1.7
130.05009	32.1
130.36885	1.1
133.03532	1.5
136.74417	1.2
145.03476	1.2
146.04483	14.1
155.04518	18.5
158.08159	5.8
170.68523	1.3
174.03976	7.9
175.04471	1.5
175.11943	1.5
199.03484	29.5
200.10248	1.6
206.23363	1.2
217.04572	100.0
217.06831	36.6
217.12904	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	217.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76336	0.9
55.01875	1.0
56.05044	1.2
57.03444	1.1
58.02960	1.8
67.24773	1.3
69.03431	55.9
70.06598	2.2
72.04521	5.3
77.90484	1.0
79.56622	1.0
84.04508	54.8
85.02907	17.7
88.03994	1.2
90.45422	0.8
95.01317	13.5
95.49857	0.9
101.02384	5.8
112.03966	74.6
113.02361	42.3
116.07117	1.8
119.01895	1.7
122.56606	1.2
123.35574	1.0
127.01402	1.5
128.03435	11.3
129.01970	1.9
129.02980	7.1
130.05005	32.7
134.30930	1.2
145.03418	1.9
146.04504	12.5
155.04532	17.5
157.02455	1.4
158.08084	2.4
174.04048	9.2
197.65297	1.0
199.03502	28.4
217.04587	100.0
217.06824	15.4
217.08829	2.4
217.13034	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	217.0683
Annotation	4-Ethylphenyl 2-thienyl ketone
Peak:m/z	Relative Intensity
53.14151	1.6
53.95563	1.4
55.05518	4.2
56.05051	1.7
56.96574	4.3
57.03432	1.9
60.04538	3.3
60.05642	2.6
62.89241	1.4
69.03436	32.6
70.06590	30.5
70.98132	4.3
71.04980	2.3
72.04486	3.1
72.08157	93.7
74.02461	2.1
74.06062	2.9
75.29338	1.7
81.03419	1.9
84.04516	38.9
84.08142	3.6
85.02917	11.2
87.04502	2.2
88.99161	4.6
94.07393	2.0
95.01340	8.3
98.97566	10.9
100.31654	1.8
101.00865	2.6
112.03972	46.0
112.07615	7.6
112.08742	4.3
113.02356	25.8
113.07153	6.6
114.09168	3.9
115.08682	16.1
116.07098	24.7
116.98598	3.7
118.08677	3.4
119.01910	14.5
120.03271	1.9
126.02593	2.5
128.03421	3.2
129.01793	2.0
129.02925	2.5
130.05038	26.2
131.01825	1.9
133.03488	3.4
135.02989	2.2
137.02919	2.6
143.01944	2.3
145.02444	3.6
145.03450	22.7
146.04489	8.5
155.04474	15.4
157.03444	2.5
157.09698	11.9
158.08124	45.2
158.09274	9.0
163.04506	4.3
171.01398	3.0
174.04007	8.0
175.04549	2.5
175.11890	11.3
176.04657	3.6
180.03976	2.0
185.02789	2.1
188.65834	1.9
193.00169	3.8
199.03363	19.8
200.10315	10.0
217.04599	66.5
217.06844	100.0
217.08931	16.8
217.12958	61.2
217.15088	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	217.0705
Annotation	cis-(Homo)3-aconitate
Peak:m/z	Relative Intensity
53.03940	1.0
53.28881	0.8
57.03436	1.5
67.51183	1.0
69.03436	32.5
73.02885	1.2
85.02906	72.3
87.04432	1.3
93.19496	0.9
97.02892	100.0
110.79877	0.9
115.03928	18.0
127.03889	3.9
127.70565	0.9
137.30699	0.9
139.03886	1.2
157.04916	16.9
168.76212	1.1
207.71423	1.0
217.07088	2.0
217.19501	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	217.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60618	1.7
55.01873	3.8
55.05519	97.2
56.25427	2.1
57.03226	1.9
57.03449	34.9
67.05516	15.1
69.03436	3.9
69.07076	27.4
70.06601	10.2
70.07405	5.1
71.04995	2.6
71.06918	2.2
79.05499	48.2
81.07050	25.9
83.04978	5.2
83.08624	46.9
86.06055	2.8
88.04861	2.4
97.10168	99.4
107.08601	34.2
108.31732	2.2
125.09615	58.1
130.09727	11.8
131.10085	10.0
135.24832	2.2
136.07320	2.0
143.10660	3.6
194.20212	2.1
199.15150	10.2
199.16603	4.2
217.14337	100.0
217.17451	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	217.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35416	1.4
52.93877	1.5
55.01873	4.1
55.05520	95.7
57.03191	1.8
57.03445	37.8
62.54650	1.6
67.05514	14.6
69.03419	4.0
69.07071	20.5
72.08157	1.9
79.05067	2.9
79.05495	46.9
81.07071	22.3
83.04985	8.3
83.08616	43.8
84.79555	1.8
97.10171	100.0
103.89121	1.6
107.08595	33.5
125.09632	49.6
143.10620	6.0
217.12225	3.6
217.14340	99.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1545
Annotation	L-Valyl-L-valine
Peak:m/z	Relative Intensity
51.73988	0.8
55.01883	0.9
55.05520	16.7
57.03455	1.6
57.07080	14.6
58.31257	0.8
67.05506	7.8
69.07073	100.0
69.24233	0.9
71.08627	4.6
72.04509	5.4
77.11648	1.0
79.05489	4.8
81.07061	10.9
83.08627	39.8
85.10177	2.3
86.06051	1.8
91.05466	3.9
93.07030	8.2
94.38089	1.0
94.78645	1.0
95.08599	16.9
97.06531	7.0
97.10177	6.2
100.07622	4.0
105.07033	7.4
105.36381	0.9
107.08596	14.7
109.10162	13.1
111.08108	1.8
111.11732	6.4
114.09144	1.1
117.06944	1.2
119.08569	6.2
121.10139	10.9
123.11691	3.5
125.13268	3.9
129.06966	2.1
129.11108	1.2
131.08571	1.5
133.10158	9.7
135.11691	11.6
143.08530	1.6
145.10040	1.1
147.11679	9.0
153.12842	1.0
156.06039	1.0
157.06470	1.6
157.10129	1.7
159.11707	1.9
161.13232	11.6
171.11858	2.2
173.13260	1.1
175.14835	6.3
189.09239	1.8
189.16281	1.2
199.14796	4.2
200.04570	1.3
200.12836	12.0
217.08519	2.2
217.10359	1.8
217.12202	5.0
217.15724	24.1
217.19485	34.3
218.13876	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	217.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52402	0.8
52.92606	0.9
54.20843	0.7
54.58286	0.7
55.05519	5.0
56.05045	100.0
63.23429	0.9
69.43535	0.9
70.06587	1.3
71.08645	1.5
72.04510	6.0
74.02444	8.4
74.06085	97.3
79.05492	1.8
81.07052	8.7
84.04496	4.2
88.03947	1.2
89.04750	1.2
98.09698	18.8
98.11546	1.0
99.10473	1.5
100.11262	2.3
102.05545	31.7
116.08508	0.9
116.10724	11.1
118.05074	1.1
119.11544	1.0
120.06581	18.4
120.35379	1.0
154.12323	1.2
192.41188	1.0
200.12825	64.5
217.15425	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	217.1547
Annotation	L-Valyl-L-valine
Peak:m/z	Relative Intensity
50.09053	0.7
55.05527	6.7
55.05739	0.8
56.05045	98.4
67.05528	0.8
68.34813	0.7
69.19003	0.7
70.06608	3.6
71.08637	3.2
72.04518	6.8
74.02448	7.7
74.06083	100.0
75.41885	0.7
79.24911	0.7
81.07059	10.1
81.46280	0.7
83.08611	1.2
84.04506	3.7
89.04745	1.3
97.08908	1.2
97.98112	0.8
98.09696	18.0
99.10474	1.0
100.11250	3.8
101.77698	0.8
102.05550	39.1
105.07030	1.1
110.09700	1.3
114.11472	1.0
115.97240	0.9
116.10724	12.3
116.98603	0.8
118.04982	0.9
119.08605	1.2
120.06583	14.9
124.11217	1.5
128.06256	1.7
129.07013	5.3
129.63515	0.8
130.04996	2.1
133.06404	0.8
145.59290	0.9
147.08037	1.1
156.05690	1.4
157.06503	7.0
157.64366	0.8
171.08000	1.2
172.05202	1.2
174.06779	4.3
181.36487	0.9
185.05945	3.1
187.07553	5.5
189.09142	5.1
199.07474	5.8
199.14713	1.1
200.12820	66.1
202.06250	1.6
217.04930	1.5
217.08549	15.2
217.10225	1.4
217.12160	3.9
217.15572	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	217.1546
Annotation	L-Valyl-L-valine
Peak:m/z	Relative Intensity
54.59302	0.1
55.05520	0.4
55.20414	0.1
56.05038	0.2
56.53530	0.1
59.46643	0.1
62.06113	0.1
62.89593	0.2
65.11679	0.1
69.07072	1.0
70.06598	1.2
72.08150	5.3
74.02441	2.4
74.57436	0.1
79.05489	0.2
84.04517	0.2
84.08170	0.2
85.02926	0.2
86.09708	100.0
95.08585	0.2
97.10147	0.2
97.30119	0.1
98.97578	0.3
102.05570	0.2
104.06445	0.3
104.07107	7.3
107.08564	0.2
109.12745	0.1
112.11264	0.2
113.02351	0.8
116.07144	0.3
116.98554	0.2
117.07015	0.2
121.06554	0.3
122.25047	0.2
129.06981	0.6
130.06477	0.5
131.03442	0.2
132.08064	0.7
143.07272	0.2
144.08087	54.0
144.74123	0.2
156.08067	0.9
157.13338	0.4
171.09184	1.7
171.11772	0.2
172.11549	0.3
173.10744	0.7
188.07071	0.3
217.04924	1.0
217.06754	0.2
217.09784	4.4
217.12085	0.5
217.15508	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	217.1546
Annotation	L-Valyl-L-valine
Peak:m/z	Relative Intensity
54.55952	0.3
55.05531	0.3
56.05043	0.4
57.03419	0.3
69.07081	0.3
70.06609	1.2
71.05000	0.4
71.08638	3.1
72.08143	2.9
74.02435	2.7
77.22533	0.3
79.05495	0.7
84.04506	7.9
85.01243	0.3
85.02918	0.4
86.09710	100.0
88.11275	11.6
91.05470	1.6
93.07043	7.2
104.07105	9.2
107.04970	1.2
107.08574	2.2
117.07030	0.7
119.08575	0.4
121.06532	2.3
125.09614	0.8
129.06990	0.6
130.05017	5.3
130.06505	0.7
130.68768	0.4
132.08151	0.5
135.08066	6.6
139.07565	0.5
144.08089	43.8
149.09619	0.4
153.09103	1.8
157.10123	0.4
163.07559	0.4
171.09157	0.8
171.11632	0.3
171.14893	2.9
172.07584	0.4
181.08566	0.5
189.10315	0.5
199.14708	0.4
200.12810	11.4
217.04779	0.5
217.09999	3.5
217.12189	0.7
217.15469	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	217.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80923	0.3
53.29461	0.3
59.35995	0.3
60.62209	0.4
60.66155	0.4
70.06593	0.6
72.08141	0.6
73.84122	0.3
77.67326	0.3
86.09711	100.0
88.05225	0.3
98.97587	0.5
107.17081	0.4
125.68575	0.4
146.11769	88.8
153.32123	0.4
157.10197	0.5
157.13368	11.1
185.12906	0.7
201.11337	0.4
217.08553	1.5
217.12202	0.6
217.15390	5.0
217.17293	0.4
232.58307	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	217.1546
Annotation	Val Val
Peak:m/z	Relative Intensity
51.49557	0.2
55.05521	6.0
56.05053	0.3
57.05830	0.3
57.78175	0.2
60.61296	0.2
68.11852	0.2
69.62042	0.2
72.08158	100.0
76.05119	0.4
88.58413	0.2
99.86106	0.2
114.01990	0.2
117.83386	0.2
118.08653	3.9
119.91074	0.2
120.08187	0.2
120.80028	0.2
124.33589	0.2
130.33098	0.2
171.14970	1.4
200.86456	0.2
217.15428	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	217.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63839	0.2
55.05518	1.1
55.42469	0.2
56.53463	0.2
56.96598	0.4
60.93206	0.3
69.07079	0.3
70.06595	0.4
72.08151	1.3
79.05508	0.4
81.07047	0.3
86.09711	100.0
97.02898	0.4
97.10181	0.5
98.97575	0.5
107.08584	0.5
116.08270	0.3
116.98624	0.6
127.61665	0.3
146.11769	86.8
157.13361	10.9
185.12856	1.3
198.88873	0.3
205.42294	0.3
217.04889	0.6
217.08589	1.3
217.12262	0.6
217.15530	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	217.1547
Annotation	L-Valyl-L-valine
Peak:m/z	Relative Intensity
55.05520	6.7
56.05038	0.3
57.05831	0.4
59.02959	0.2
62.08754	0.1
66.03555	0.2
69.03433	2.3
70.06596	0.8
72.08161	100.0
73.06566	0.7
74.06074	0.3
81.03424	0.2
84.04517	1.8
84.08168	0.2
85.02921	1.0
92.34943	0.2
97.02911	1.0
98.97610	0.4
100.68344	0.2
101.02408	0.2
112.03954	2.3
113.02383	1.2
114.05489	0.2
116.07108	0.8
118.08669	3.3
119.01937	0.4
128.03442	0.3
130.05013	0.8
145.03496	0.3
146.04491	0.3
155.04555	0.7
171.14914	1.5
199.03593	1.1
200.07123	0.2
217.04607	3.2
217.06889	1.0
217.09901	0.4
217.15485	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	217.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00327	0.5
55.05523	14.6
57.06822	1.2
57.07084	22.4
59.05005	4.5
62.05779	0.6
67.05501	0.8
69.07072	100.0
71.05006	5.8
71.08638	17.6
73.06556	22.2
79.16067	0.6
81.07062	1.7
83.08626	5.4
85.10193	5.7
89.06031	43.6
92.21019	1.3
92.21519	1.3
94.45589	0.6
95.08580	2.6
105.07058	1.2
107.08577	0.7
108.59370	0.6
109.10156	1.6
111.11720	70.0
119.08559	1.7
121.10172	1.1
121.86712	0.7
129.12764	26.9
133.10164	1.3
135.11673	1.3
141.15823	0.7
147.11676	1.0
161.13258	1.7
169.52716	0.7
189.16287	0.9
194.10654	0.9
205.37781	0.7
217.15900	4.6
217.19513	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	218.0595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99293	0.3
55.01879	0.8
55.05505	0.3
56.96566	0.4
57.07084	8.2
57.63151	0.3
58.99590	1.0
60.04535	0.5
69.03416	0.4
70.06583	0.6
72.04500	0.5
72.08139	0.6
73.08498	0.4
74.00647	0.7
74.02442	2.7
74.06085	0.8
81.03428	0.7
84.04532	0.4
84.08143	3.3
85.02876	0.5
85.06551	3.4
86.06057	0.9
88.03997	6.0
90.05534	0.7
93.25912	0.4
98.06021	0.4
98.97593	3.3
101.01734	100.0
104.03528	0.4
114.05527	1.6
115.05876	2.2
116.03471	4.0
116.98647	2.4
120.08111	3.0
126.05534	0.8
128.02785	0.6
129.10219	0.4
131.01878	0.6
134.04495	11.2
134.99640	2.7
140.07051	1.6
141.05510	0.5
143.05339	0.5
146.03841	10.3
154.12253	0.5
154.48720	0.4
158.03842	8.3
158.08144	1.0
158.11818	0.8
172.13309	0.9
200.04907	15.3
200.09227	2.2
209.58704	0.5
218.05968	34.1
218.10109	1.7
218.11891	0.9
218.15381	2.3
218.17371	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	218.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	1.0
59.82372	0.2
72.93747	0.2
78.03472	0.3
79.04247	1.2
80.05018	0.4
98.03533	0.3
98.97572	0.4
101.01715	0.2
103.50355	0.2
105.04521	100.0
106.05315	0.5
107.06084	2.0
110.09946	0.2
116.03471	0.2
134.04482	1.5
134.07156	0.5
136.83206	0.2
154.12276	0.9
172.13297	0.5
218.10362	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	218.1386
Annotation	O-Propanoylcarnitine
Peak:m/z	Relative Intensity
52.29101	0.3
55.05283	0.4
55.05523	2.1
57.03441	0.4
59.05001	2.6
64.15628	0.4
67.05510	33.9
69.03419	0.4
69.07067	7.7
71.04994	2.8
74.02450	0.4
81.07053	2.8
83.08618	4.1
84.08132	0.9
85.06541	2.6
86.09708	9.3
87.00823	0.6
91.05480	1.9
93.07037	1.9
95.08603	6.2
98.97564	2.7
104.02831	0.5
104.03481	10.5
109.10158	90.2
111.08065	3.6
112.03958	0.6
112.07613	0.9
116.03466	3.7
116.98623	1.6
119.08582	8.1
123.07972	0.4
127.11247	0.5
130.08627	0.9
137.09602	9.0
138.36171	0.4
154.08649	2.9
155.10661	39.6
172.09691	19.2
172.13315	36.6
173.11726	100.0
201.11084	0.4
218.08058	0.5
218.13649	4.3
218.15457	2.2
218.17207	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	218.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	3.5
58.06613	3.7
59.21829	0.3
62.29491	0.4
62.39125	0.3
65.26572	0.3
69.33654	0.4
70.06582	0.4
71.08624	3.4
71.17052	0.4
77.49858	0.4
80.80495	0.3
88.07632	2.2
106.08691	0.8
156.17477	100.0
200.20061	1.0
203.98123	0.4
218.15417	2.0
218.21152	61.7
218.37315	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	218.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20699	0.4
56.44913	0.4
57.07073	2.7
66.21333	0.4
70.06595	4.9
71.08617	2.3
72.89159	0.4
79.31395	0.4
84.80265	0.5
88.03994	2.0
88.07630	12.3
96.44831	0.4
101.35234	0.5
102.08523	0.4
102.09153	4.3
106.08677	10.7
107.99589	0.5
109.10150	0.7
126.12773	4.7
158.65076	0.4
174.18530	1.0
186.14917	0.7
200.20088	8.3
218.21146	100.0
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
53.46924	0.8
57.07070	3.6
58.53679	0.7
59.18895	0.7
61.04048	0.7
70.06580	5.6
71.08646	1.9
88.07632	13.6
102.09172	4.0
106.08665	9.9
156.17503	12.7
162.37604	0.9
200.20134	9.2
218.15387	6.9
218.21141	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77768	0.4
51.03574	0.4
56.07527	0.5
57.02312	0.4
57.07073	3.2
61.08699	0.5
61.49117	0.4
70.06595	6.9
71.08635	4.2
79.40916	0.5
80.59933	0.4
86.71513	0.4
88.07632	14.6
102.09167	3.4
106.08673	11.7
143.61693	0.5
174.18556	0.6
200.20107	11.1
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	219.0265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14972	6.1
52.32360	7.1
66.51036	6.8
83.47678	7.0
88.85863	6.7
94.93010	100.0
98.07239	10.0
105.76950	8.7
185.58890	8.5
195.25548	8.6
195.36528	8.7
219.02661	13.1
219.10606	13.5
237.24289	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	219.05
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	5.6
56.05035	7.3
56.96565	1.6
58.02974	2.1
58.06601	0.9
59.05013	4.4
60.04528	6.1
61.02932	10.3
68.99792	4.9
69.03427	1.2
69.07071	1.4
70.02956	1.3
71.01359	100.0
72.04517	13.1
72.07802	1.6
72.08165	24.5
73.02907	4.7
74.06087	44.3
75.04484	23.7
76.05138	1.9
81.03423	2.2
81.10358	1.1
84.04504	2.6
84.08139	1.2
85.02905	1.7
86.02435	6.4
86.09712	66.1
87.04456	1.2
88.03976	4.5
90.00078	1.0
98.02413	4.8
98.97575	7.2
99.00805	4.4
100.65196	1.0
101.02372	6.1
101.07137	1.4
102.05568	1.9
102.44093	1.2
103.03951	31.4
109.02872	1.9
111.00803	7.7
113.02356	7.4
115.00622	1.5
116.03461	20.3
116.98610	4.7
117.01849	11.4
118.04996	8.7
118.08657	6.5
119.01907	1.9
120.06576	1.4
125.02390	1.1
126.01881	17.5
127.00274	11.2
129.01851	6.3
129.02835	1.1
130.04999	12.6
131.03407	66.9
132.97920	1.6
133.05060	1.5
136.07570	2.2
139.03986	1.5
141.01807	6.7
144.02972	1.6
144.06566	4.6
145.01335	11.2
145.04962	7.3
148.06047	8.7
157.04942	10.7
158.04488	11.8
158.99663	1.2
159.01561	2.1
159.02888	58.9
159.04143	2.1
173.12856	6.9
176.05516	13.2
194.97949	1.3
201.02443	2.2
201.04999	1.8
201.12595	1.3
206.77242	1.2
219.03430	2.5
219.06108	7.8
219.10648	1.1
219.13408	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	219.05
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79685	1.0
55.01883	2.8
58.06592	1.7
60.04534	44.0
61.02939	16.1
71.01353	34.3
72.08162	2.2
73.72645	1.2
74.06102	1.2
75.04483	58.7
85.02872	1.7
86.09221	2.1
86.09712	36.4
87.04476	19.9
89.02408	10.4
101.01710	2.0
102.02042	1.8
103.03947	72.8
109.42123	1.1
120.47353	1.1
121.14614	1.2
131.03407	12.3
132.10204	28.7
158.78900	1.3
159.02893	100.0
173.12842	14.2
177.48987	1.2
187.02443	11.2
201.12256	1.9
219.03102	1.4
219.04805	10.9
219.11351	2.1
219.13467	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	219.061
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05050	13.1
58.02956	8.3
60.04548	1.5
60.05656	6.0
68.62636	1.0
68.96413	1.1
69.07082	1.7
70.02930	1.8
70.06583	4.6
71.01337	2.0
71.44144	0.9
72.04522	38.6
72.08150	9.6
74.05682	1.7
74.06079	36.3
76.05128	45.4
84.04494	6.6
84.08121	0.9
86.02438	18.7
86.09708	100.0
88.03985	10.7
90.02601	1.0
98.02418	12.2
98.06051	39.4
99.00813	1.4
100.05106	2.0
101.07088	1.0
102.01960	1.3
102.05564	7.4
112.05083	4.5
113.02392	1.3
114.05548	4.1
116.03453	46.9
116.07093	2.1
117.06623	2.2
118.05016	28.5
118.06132	15.5
118.08623	5.1
120.06587	1.1
126.01865	29.1
130.05013	26.1
132.06604	2.6
144.02899	6.1
144.06558	94.6
146.04520	1.3
148.06052	16.6
152.13643	1.0
158.04488	28.3
160.07187	9.8
173.12889	4.4
174.08781	1.7
176.05539	21.2
177.09883	2.3
191.11406	1.4
201.05066	4.0
202.08316	1.9
205.60941	1.1
219.06134	15.2
219.10905	20.2
219.13394	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	219.061
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05050	13.1
58.02956	8.3
60.04548	1.5
60.05656	6.0
68.62636	1.0
68.96413	1.1
69.07082	1.7
70.02930	1.8
70.06583	4.6
71.01337	2.0
71.44144	0.9
72.04522	38.6
72.08150	9.6
74.05682	1.7
74.06079	36.3
76.05128	45.4
84.04494	6.6
84.08121	0.9
86.02438	18.7
86.09708	100.0
88.03985	10.7
90.02601	1.0
98.02418	12.2
98.06051	39.4
99.00813	1.4
100.05106	2.0
101.07088	1.0
102.01960	1.3
102.05564	7.4
112.05083	4.5
113.02392	1.3
114.05548	4.1
116.03453	46.9
116.07093	2.1
117.06623	2.2
118.05016	28.5
118.06132	15.5
118.08623	5.1
120.06587	1.1
126.01865	29.1
130.05013	26.1
132.06604	2.6
144.02899	6.1
144.06558	94.6
146.04520	1.3
148.06052	16.6
152.13643	1.0
158.04488	28.3
160.07187	9.8
173.12889	4.4
174.08781	1.7
176.05539	21.2
177.09883	2.3
191.11406	1.4
201.05066	4.0
202.08316	1.9
205.60941	1.1
219.06134	15.2
219.10905	20.2
219.13394	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	219.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00262	0.5
55.05547	0.5
56.05038	3.7
57.36482	0.5
60.04522	2.7
60.05655	8.4
61.82931	0.5
62.31508	0.5
68.04998	0.6
72.04507	4.2
72.08156	3.2
74.02424	2.4
74.06059	3.2
76.05132	43.4
80.50821	0.5
81.26454	0.5
85.08437	0.8
86.09699	2.4
98.06059	33.9
99.05560	0.8
102.05541	5.4
104.58982	0.6
112.05091	3.6
116.08249	0.6
117.06617	1.3
118.05003	2.8
118.06120	2.8
132.10191	0.8
144.06560	100.0
159.08792	0.9
160.07207	4.2
162.08751	1.0
171.08778	1.4
177.08488	0.9
177.09834	4.2
212.40315	0.7
219.10872	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	219.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45198	0.5
56.05039	5.3
58.04074	0.5
60.04528	17.4
60.05649	9.4
60.17726	0.6
67.29113	0.6
68.05034	0.7
69.07087	0.6
72.04522	4.3
72.08150	9.7
74.02425	1.2
74.06081	12.7
76.05127	43.0
80.30027	0.5
84.04517	0.9
85.02925	0.6
86.09702	21.1
87.05597	0.7
98.06052	33.6
99.05555	2.2
100.97553	0.6
101.00876	0.8
102.05552	6.0
112.03986	0.9
112.05074	4.3
114.05554	0.7
116.08211	0.9
117.06626	1.2
118.04995	2.6
118.06099	3.5
118.08657	2.1
119.01916	3.3
120.06592	0.8
128.10696	0.8
132.10197	11.5
133.03477	3.7
135.07672	0.7
137.02927	0.8
137.72191	0.7
144.06557	100.0
148.04182	0.6
151.04518	0.9
159.08795	1.1
160.07166	6.7
162.08759	1.1
171.08720	0.9
173.12846	10.8
175.04463	0.8
177.08537	0.7
177.09871	4.0
187.79413	0.5
201.02510	0.8
201.12498	0.8
202.08206	0.9
219.03543	0.8
219.10875	19.0
219.13368	3.5
236.19965	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.2
55.05506	1.3
57.03428	0.9
60.04527	1.2
61.02934	1.2
61.68713	0.5
67.05505	8.9
68.40798	0.6
69.03435	6.5
69.07070	4.1
71.44723	0.6
72.08158	6.4
73.02915	0.9
74.06078	0.7
79.05498	3.7
81.07058	8.2
83.04997	0.8
83.08629	2.6
85.02921	5.8
85.06567	2.1
86.09710	4.5
87.04458	5.6
91.03945	1.3
91.05478	19.1
93.07050	26.0
95.04977	3.1
95.08610	28.2
97.02911	3.4
97.06518	4.1
98.97599	1.2
99.04462	0.8
99.08032	0.9
101.02380	12.1
104.91549	0.7
105.07062	3.7
107.04994	0.7
107.08612	5.6
109.06522	1.6
109.10159	21.4
111.08073	8.1
113.65468	0.7
115.03908	3.3
116.98647	0.9
117.07010	2.8
119.08581	100.0
120.08082	5.9
121.10181	1.0
123.08063	5.3
125.09625	1.3
129.06984	1.4
129.09113	0.6
131.04955	0.8
132.10201	1.0
133.04958	3.7
135.08061	6.3
137.09622	93.3
141.09106	3.7
145.06473	1.1
147.08040	17.3
153.09126	3.1
155.08862	0.7
155.10695	6.7
165.09111	19.2
173.06006	2.5
173.10019	3.1
177.05463	1.3
183.10179	6.9
189.09102	0.8
191.07008	0.9
201.11208	58.7
203.51530	0.7
219.06470	3.1
219.13718	3.2
219.17461	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	219.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37334	1.3
50.76286	1.0
51.04774	1.0
51.19313	0.9
52.29664	1.1
55.01851	1.3
55.05513	1.8
57.03437	1.7
60.04508	1.2
65.27268	1.1
65.35415	1.1
67.05511	10.0
69.07072	1.9
71.04989	2.4
74.06061	1.6
79.05482	11.3
80.21310	1.1
80.47623	1.1
81.03405	1.6
81.07066	9.1
83.04964	7.0
84.28691	1.1
85.02879	1.1
86.09688	2.1
91.05497	17.5
93.07054	14.3
94.98132	1.3
95.04967	13.2
95.08584	7.3
97.02856	1.4
97.06537	2.9
105.07038	20.0
107.04964	5.5
107.08614	15.1
109.06529	4.5
109.10143	2.3
109.94520	1.2
111.04424	1.9
111.08085	2.0
113.05989	2.1
115.05437	6.6
117.07011	27.0
118.06561	11.3
119.08590	15.2
120.08110	20.0
121.06496	4.4
121.10134	2.8
123.08087	4.9
125.09637	2.9
128.06213	1.8
129.06989	18.7
130.07704	1.3
131.04959	5.1
131.08566	52.7
133.06467	5.5
133.10156	12.5
135.08066	35.2
135.11690	1.9
137.05974	2.2
137.09673	2.0
141.06998	22.7
143.08623	1.4
144.05673	2.5
144.09329	1.2
145.06512	15.6
145.10147	16.2
146.05995	7.5
147.08000	2.6
147.11690	2.8
149.05994	2.7
149.09669	4.4
149.13248	2.4
155.08537	7.7
157.06500	16.1
157.10130	11.3
158.03653	5.6
158.07266	8.6
159.04362	2.2
159.08078	30.7
159.11693	67.0
160.05141	2.1
160.07574	1.9
161.09578	5.6
161.13225	1.5
163.07521	2.2
168.09303	2.6
169.06435	10.0
170.07248	4.7
173.05977	21.0
173.09619	4.8
173.13240	24.5
174.06772	40.0
175.07544	10.6
175.11111	8.7
177.05492	1.4
177.09070	2.5
177.12708	4.9
183.11681	15.9
186.06790	11.4
187.07639	1.3
188.08186	1.4
189.09111	71.2
191.07013	4.6
191.08589	2.0
191.10576	4.9
191.14340	10.5
201.05461	40.6
201.09138	26.7
201.12740	46.5
219.06473	8.0
219.08139	7.5
219.10178	76.5
219.13779	100.0
219.17384	7.1
229.19379	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	219.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.6
55.05516	1.7
57.03432	1.6
61.91619	0.8
67.05511	9.0
69.03410	1.0
69.07065	2.2
71.04984	2.1
75.93007	0.9
76.05132	1.1
79.05479	8.1
81.07055	13.0
83.04948	1.7
83.08581	1.0
85.02898	1.1
85.06539	1.5
91.05485	14.3
92.15424	0.9
93.07037	9.7
95.04948	5.9
95.08611	10.0
97.06509	4.2
98.97545	1.7
105.07022	13.3
107.04939	2.3
107.08607	13.9
109.06515	2.0
109.10159	6.9
111.04433	1.1
111.08061	1.3
115.05453	4.5
117.07018	22.2
119.08588	14.0
121.06471	5.5
121.10119	7.5
123.08031	6.4
125.09589	1.1
128.06171	1.8
129.07005	25.1
130.32385	0.9
131.04900	4.7
131.08571	55.2
133.06491	3.6
133.10129	6.6
135.08061	25.6
135.11647	5.0
137.05972	1.6
137.09639	2.1
141.06995	25.3
143.04936	1.1
143.08531	2.2
144.05672	1.4
144.09305	1.4
145.06454	5.6
145.10150	11.6
146.05997	1.9
146.07204	1.6
147.08041	2.1
147.11719	1.9
149.09634	5.0
149.13179	3.9
151.07487	1.3
154.42757	1.1
155.08557	5.0
157.06482	19.8
157.10129	10.6
158.07295	9.2
159.08044	30.8
159.11684	71.0
160.05142	1.7
161.09628	7.1
161.13235	1.7
163.07535	2.3
163.11116	1.1
163.14696	1.0
169.06464	13.3
170.07222	4.3
172.08780	1.1
172.35878	0.9
173.05925	3.8
173.09552	3.8
173.13287	19.1
174.06761	57.2
175.07558	12.0
175.11096	5.7
176.08284	1.2
177.09099	1.9
177.12709	4.5
183.11679	11.8
186.06773	14.1
187.07567	1.3
188.08270	3.8
189.09108	80.1
191.10635	10.0
191.14262	5.1
201.05392	1.7
201.07275	1.8
201.09097	37.1
201.12741	32.7
201.16338	4.5
219.08356	3.5
219.10182	89.8
219.13747	100.0
219.17355	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	219.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48249	1.0
52.52896	0.8
55.05521	7.4
55.42636	1.0
67.05511	17.4
69.07054	0.9
71.04992	4.0
75.04118	0.9
77.88725	0.9
79.05489	10.9
79.13937	0.9
81.07067	9.7
83.04980	1.6
85.02945	1.0
85.06558	2.6
87.04473	1.1
91.05489	43.2
93.07037	8.9
95.08604	2.2
97.06526	1.4
101.06004	1.7
103.05450	2.0
105.07047	26.0
107.04865	1.0
107.08593	2.4
109.06498	1.5
115.05444	6.2
116.06225	1.5
117.07034	29.6
118.38374	1.1
119.08602	19.4
119.53432	1.0
120.08070	1.0
121.06519	4.4
123.08064	1.2
129.07014	29.0
130.07741	1.1
131.04926	6.9
131.08572	66.0
133.06480	2.6
133.10132	6.4
135.08063	15.2
137.05957	1.9
141.07008	36.8
142.07771	1.0
143.08527	2.3
143.22456	1.0
144.05669	2.5
145.06479	6.4
145.10114	16.8
146.07242	1.8
147.08052	4.5
155.08553	9.8
157.06529	21.8
157.10121	30.9
158.07283	9.9
159.04317	1.3
159.08070	30.6
159.11691	60.5
160.05173	2.4
161.09618	4.3
163.07503	4.7
169.06438	11.8
170.07263	4.4
173.05942	5.4
173.09596	5.5
173.13269	23.8
174.06775	58.4
175.07553	12.8
175.11200	2.5
177.09132	2.2
183.11688	24.2
186.06720	14.2
188.08298	2.3
189.09106	98.8
191.06992	5.5
191.08548	3.6
191.10686	7.6
191.14297	2.1
201.05458	2.5
201.09122	39.3
201.12755	39.0
204.04204	1.3
219.06462	7.2
219.08131	10.3
219.10153	100.0
219.13727	65.5
219.17406	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	219.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12693	1.5
51.22959	1.6
55.05506	10.1
57.07071	3.4
67.05518	17.5
69.07081	16.6
69.98505	2.1
79.05495	24.5
81.03233	2.3
81.07054	31.5
83.04972	8.0
83.08613	10.0
85.02948	2.0
91.05479	27.8
93.07037	25.7
95.04949	8.0
95.08627	23.0
97.06519	15.6
99.08095	2.9
102.12163	1.8
105.07030	24.2
107.04970	36.5
107.08601	28.4
109.06528	5.1
109.10164	16.5
109.13428	1.9
111.08128	3.1
117.07015	23.5
119.04924	4.9
119.08585	22.6
121.06519	25.5
121.10150	17.6
123.04477	2.5
123.08040	10.5
123.11694	7.5
125.05926	2.2
129.06961	3.8
131.04915	3.7
131.08557	53.4
133.06480	16.3
133.10121	5.2
135.08040	32.3
135.11658	10.5
137.06067	2.4
137.09651	3.0
141.06995	11.6
145.06468	12.3
145.10127	25.1
147.08066	2.9
147.11746	3.4
149.09573	2.2
149.13246	13.0
155.08516	8.3
157.10153	11.1
159.08020	13.7
159.11699	39.9
160.07487	3.8
161.13225	4.0
163.14775	9.1
173.13252	66.5
175.11096	2.3
175.14757	2.5
177.12743	4.5
183.11694	18.8
191.14322	18.2
197.23289	2.2
201.12766	62.0
201.14581	4.3
201.16344	22.1
202.08586	4.0
203.14328	8.0
219.06612	2.8
219.09958	2.4
219.11716	9.2
219.13786	100.0
219.17372	58.0
219.21017	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	219.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79985	0.6
55.01873	2.8
55.05503	0.9
57.03438	1.1
58.39244	0.6
66.90714	0.5
67.05509	7.5
69.03410	0.7
69.07061	3.0
71.04980	4.3
79.05509	8.0
81.07068	6.1
83.04983	3.8
85.02923	1.2
85.06531	0.8
91.05472	13.7
93.07040	11.1
95.04969	10.4
95.08597	3.2
97.02869	0.7
97.06528	4.4
101.44276	0.6
103.05489	1.1
105.07032	15.0
107.04961	4.4
107.08607	14.6
108.29798	0.6
109.06494	3.0
109.10146	2.7
111.08058	0.8
113.05975	2.5
115.05441	2.9
117.07021	23.5
118.06535	2.7
119.08590	13.0
120.07304	1.1
120.08102	15.4
120.39024	0.6
121.06500	4.8
121.10122	2.5
123.04443	0.6
123.08054	5.5
125.09628	2.9
128.06288	0.7
129.07004	12.0
131.04915	3.4
131.08574	40.5
133.06470	2.9
133.10133	6.8
135.08061	30.2
135.11711	1.4
137.05951	1.6
137.09616	3.6
141.07014	10.3
142.07800	1.0
143.04893	0.9
143.08556	3.6
144.05708	1.1
144.09334	0.7
145.06511	5.6
145.10133	15.6
146.07205	0.7
147.08015	2.4
147.11694	2.9
149.09619	5.9
149.13243	1.5
151.07571	0.8
155.08557	8.3
157.06520	7.0
157.10152	8.1
158.03587	1.1
158.07335	4.5
159.04405	0.7
159.08076	17.2
159.11696	58.8
160.05164	1.1
160.07520	1.5
161.06084	1.0
161.09601	3.7
161.13194	0.7
163.07544	3.0
163.11214	1.2
168.09322	1.4
169.06503	5.1
170.07266	2.2
173.05988	5.0
173.09572	4.8
173.13249	18.9
174.05412	1.1
174.06770	20.4
175.07536	5.5
175.11147	6.3
175.14784	0.7
177.05362	0.7
177.09094	4.1
177.12758	4.3
183.11710	12.8
186.06770	5.4
186.10397	0.7
188.08354	1.0
189.04773	0.8
189.09111	34.1
189.10840	1.3
191.06979	1.0
191.10637	3.7
191.14316	8.8
201.05492	9.7
201.09111	15.1
201.12749	39.0
201.16310	1.1
219.06532	6.3
219.08151	2.4
219.10219	35.7
219.13786	100.0
219.17375	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	219.1742
Annotation	4-NONYLPHENOL
Peak:m/z	Relative Intensity
51.12717	0.2
52.47699	0.2
60.91690	0.3
62.80769	0.2
86.53448	0.2
107.08526	0.3
119.08579	1.1
121.10152	2.0
123.08026	0.4
131.08492	0.3
133.10071	0.8
141.68413	0.2
159.11523	0.3
161.09615	0.5
161.13274	1.9
170.10809	0.4
175.14813	1.0
185.13248	0.3
187.11316	0.3
188.11940	0.4
193.15471	0.3
203.14314	26.9
219.17435	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	219.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05870	0.6
55.05515	3.4
57.07079	1.2
59.02092	0.5
59.05002	1.5
67.05495	3.6
69.07073	19.2
71.04977	1.5
73.47177	0.7
75.08737	0.7
79.05485	3.0
81.07072	7.3
83.04973	1.0
83.08627	3.5
85.06532	1.4
91.05486	1.0
92.20849	0.8
93.07051	8.1
95.04964	1.2
95.08602	18.0
97.06528	1.4
97.10153	1.5
105.07030	13.9
107.08595	15.5
109.06512	2.7
109.10152	23.1
109.86450	0.7
111.08080	3.2
113.09593	0.7
119.08574	14.6
121.06535	1.1
121.10136	17.0
123.08039	3.5
123.11716	5.0
125.09608	1.2
131.08553	3.8
133.10120	7.5
135.08044	3.9
135.11697	12.1
137.09634	11.6
137.13280	1.5
145.10126	15.9
147.11697	4.7
149.09639	10.6
149.13245	4.7
151.11162	2.7
159.11665	10.2
161.13277	9.6
163.11172	18.2
173.13228	3.8
175.14850	7.0
177.12744	3.6
177.16402	2.8
189.16429	0.8
191.17953	10.0
201.16367	18.4
219.17432	100.0
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	alpha-Sinensal
Peak:m/z	Relative Intensity
54.08098	1.1
55.05515	2.1
59.75212	1.1
61.68945	0.9
66.05656	1.1
67.05499	12.7
67.95761	1.4
67.97334	1.1
69.07064	1.9
79.05501	12.2
79.23549	1.2
81.07069	16.9
86.97850	1.1
91.05479	15.6
93.06493	1.4
93.07050	22.7
95.08604	12.2
95.54419	1.2
105.07027	5.7
107.04949	2.8
107.08593	13.4
109.10140	2.8
117.07015	5.0
119.08569	6.8
121.06468	1.3
121.10144	11.0
127.24549	1.2
131.08591	10.3
133.04961	1.1
133.10114	5.2
135.11667	7.9
145.10123	7.7
149.13264	1.5
159.11671	2.8
173.13202	1.3
201.16370	2.1
217.05379	1.2
219.17432	100.0
219.21014	7.5
224.20076	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	219.1742
Annotation	4-NONYLPHENOL
Peak:m/z	Relative Intensity
51.45490	0.3
56.51214	0.3
61.99979	0.4
75.74229	0.4
84.10162	0.4
105.07018	0.6
121.10108	2.2
133.10164	0.8
140.10165	0.4
145.10081	0.4
160.00484	0.4
161.13261	0.8
187.11087	0.5
203.14311	26.3
203.16216	0.9
219.17439	100.0
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	Unknow
Peak:m/z	Relative Intensity
53.24485	0.7
55.01891	1.0
55.05510	5.2
59.88264	0.7
66.94493	0.8
67.05512	11.8
69.07060	4.0
72.03886	0.8
79.05495	14.9
81.03410	1.4
81.07056	13.8
83.08613	1.5
85.06568	0.9
91.05479	16.5
93.07050	22.1
95.08604	10.5
96.42037	0.8
97.10136	1.2
105.07024	5.0
107.04958	4.9
107.08597	14.1
109.10158	6.5
117.06996	6.3
119.08588	6.5
121.06496	3.4
121.10151	12.9
123.08037	1.7
131.08578	12.8
133.10133	4.5
135.11703	7.0
137.09612	1.2
145.10138	5.7
147.11705	1.1
154.99982	1.1
159.11671	1.9
178.01596	0.9
201.16365	4.0
215.78137	0.9
219.17435	100.0
219.20880	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	219.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	11.9
57.07084	6.8
67.05517	25.0
69.07074	29.8
71.08629	1.6
71.98515	1.5
79.05504	14.9
79.05902	1.5
81.07062	63.8
83.08625	12.7
91.05490	3.0
91.16885	1.3
93.07049	40.9
95.04994	1.9
95.08607	71.0
95.09189	2.9
96.04129	1.4
97.10161	6.9
98.97574	1.7
105.07051	3.4
107.08598	62.5
109.10160	72.4
119.08581	2.2
121.10146	42.5
123.11712	37.2
131.08629	1.8
133.10127	2.1
135.11697	42.0
137.13310	8.6
137.74100	1.8
145.10120	2.1
148.12427	2.1
148.78679	1.6
149.13261	73.2
155.59660	1.6
161.13274	1.8
163.14816	60.3
174.37195	1.4
177.16382	3.1
201.16428	2.5
203.14294	20.8
204.09357	2.1
219.11717	6.8
219.13991	4.7
219.17494	100.0
219.21022	94.9
219.23241	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	220.118
Annotation	D-Pantothenic acid
Peak:m/z	Relative Intensity
51.73334	0.5
57.07075	4.1
59.05006	4.3
59.79994	0.5
60.04539	2.4
60.36496	0.5
64.94736	0.6
67.05502	3.5
69.07080	5.5
70.02948	4.0
72.04521	10.3
73.02909	3.5
74.06099	0.6
83.05012	0.6
85.06555	8.5
85.39739	0.7
86.09708	2.8
87.01253	0.7
87.10085	0.6
90.05560	100.0
95.04964	5.8
98.02415	14.0
100.03971	1.5
103.07584	8.3
113.06011	1.6
116.03450	13.9
124.07607	16.1
131.07024	1.0
133.10535	0.9
141.13168	0.7
142.08606	7.5
147.02419	0.7
156.10222	0.7
160.09683	2.7
166.08650	1.6
174.11304	1.7
174.13171	0.9
184.09692	21.2
202.10742	27.0
216.69794	0.7
220.11798	31.6
223.87711	0.7
234.06024	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	220.1179
Annotation	D-Pantothenic acid
Peak:m/z	Relative Intensity
57.07064	4.7
58.09397	0.7
59.05000	3.1
61.24939	0.7
67.05505	3.8
68.96694	0.7
69.07063	4.5
70.02943	3.3
71.62203	0.8
72.04523	15.1
73.02908	3.1
85.06544	12.5
87.08097	1.2
90.05556	100.0
95.04964	5.7
98.02415	17.2
100.03960	1.2
103.07579	8.7
113.05995	3.7
116.03461	15.2
124.07581	17.9
131.07045	1.0
142.08649	9.3
158.11845	1.0
160.09712	3.8
166.08556	1.3
174.11267	2.7
184.09700	22.7
185.69402	0.8
202.10750	31.6
220.11787	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	220.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07093	0.3
74.06081	0.4
74.55224	0.2
85.06545	1.4
90.05573	0.3
119.03584	0.4
136.06187	100.0
137.04552	0.3
161.02965	0.4
188.09314	0.9
202.08797	0.2
220.11905	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	220.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03052	0.2
118.06532	1.9
122.15611	0.2
162.09106	3.3
176.10631	0.3
176.14339	13.9
190.12259	1.1
202.15826	0.3
220.16962	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37586	0.2
55.66164	0.3
56.09085	0.3
66.04887	0.3
85.55605	0.3
91.17538	0.3
92.21206	0.5
118.06554	1.8
126.02036	0.4
132.08099	0.3
162.09102	1.7
176.10725	1.2
176.14331	12.9
177.11511	0.5
180.59619	0.3
190.12386	0.5
202.15906	0.4
220.16960	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23426	0.4
55.05499	0.4
56.05057	0.4
57.03433	0.4
59.02662	0.4
66.73821	0.4
68.99778	0.6
72.08147	0.8
74.06071	1.0
81.07039	1.2
82.03115	0.5
84.08154	0.6
85.02848	0.7
86.09727	0.6
87.00818	2.2
90.05529	0.5
91.05478	24.3
95.08656	0.5
97.21278	0.4
101.01788	0.8
101.02377	6.1
105.07049	1.0
107.08613	1.0
119.03431	5.3
120.08099	1.1
121.10151	1.0
130.06541	4.0
132.04437	0.7
133.04948	5.1
133.10217	0.5
135.27950	0.5
136.07549	0.9
137.03452	2.1
139.95897	0.4
143.03355	0.6
147.04352	0.7
147.09152	0.7
149.09674	0.7
157.06465	0.6
157.07610	1.7
158.05992	4.6
161.03477	6.3
161.05916	1.1
162.03011	3.1
163.02573	0.7
175.08667	15.4
179.04436	4.2
181.03554	1.0
186.02998	12.9
197.05586	2.9
203.05637	100.0
204.04053	13.1
206.06281	0.5
221.06693	61.9
221.13898	1.8
222.05144	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	221.092
Annotation	5-Hydroxytryptophan
Peak:m/z	Relative Intensity
57.22912	0.4
58.02955	2.8
67.02058	0.4
74.02422	0.5
82.02928	1.9
86.02425	2.3
94.06558	2.8
94.67516	0.4
104.05007	0.5
118.04993	1.9
120.06836	0.5
130.06534	41.8
132.04457	22.8
132.05167	0.5
132.05458	0.5
146.04482	2.5
147.09148	0.7
148.07605	3.0
156.06909	0.5
157.07617	36.6
158.06012	70.3
159.09152	0.6
163.69337	0.4
175.08667	100.0
176.07065	1.9
185.07051	0.9
186.05498	2.1
203.08165	17.9
204.06554	4.0
221.07060	0.9
221.09203	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	221.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00317	1.3
55.05516	7.6
55.99630	1.1
56.53148	1.1
57.07073	3.1
65.03941	1.2
66.32363	1.1
67.05500	9.0
69.03433	2.5
69.07071	10.2
71.04993	16.5
79.05505	11.3
81.07063	67.9
81.08398	1.1
83.04974	1.4
83.08629	5.5
91.05480	5.4
93.07053	31.2
95.04981	2.5
95.08607	27.0
97.06557	2.2
97.10149	2.2
99.08089	3.0
105.07042	25.0
107.04946	1.7
107.08594	45.2
109.06503	2.1
109.10152	21.7
111.08132	1.2
113.09644	1.9
116.61973	1.4
119.08577	53.6
121.06547	1.8
121.10146	10.3
123.08053	2.6
123.11703	19.6
127.11188	8.6
133.10110	26.4
135.11688	100.0
137.09622	5.6
145.10080	1.2
147.08066	2.2
147.11676	23.3
149.13271	6.1
151.11205	2.9
159.11748	2.8
161.09607	2.3
161.13264	20.0
163.11186	2.4
163.14856	1.8
165.09109	2.7
165.20291	1.4
175.02808	2.3
175.14789	6.3
177.16432	1.6
185.13219	2.8
203.14304	6.9
203.17944	33.9
206.10829	1.5
221.13239	5.9
221.15356	24.2
221.17281	6.6
221.19034	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	222.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55056	0.3
51.70504	0.3
52.08089	0.4
52.67655	0.4
53.03960	0.5
55.05521	44.3
58.99591	2.5
60.55117	0.4
62.10456	0.4
64.59338	0.4
66.70277	0.4
76.02225	0.6
80.29493	0.4
83.08625	100.0
86.99041	4.2
98.97591	2.4
101.09665	10.7
105.00111	6.9
106.63675	0.5
111.08208	0.5
116.98645	1.0
122.02735	0.9
130.53224	0.5
159.08467	0.7
165.97549	0.4
184.90392	0.4
205.08926	16.4
222.11569	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	222.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99437	0.3
51.96371	0.3
55.57340	0.3
55.83821	0.3
56.96581	1.8
60.41126	0.3
61.57349	0.4
63.29142	0.3
93.05763	3.7
94.06573	1.8
98.97585	47.5
106.06553	5.6
107.07359	0.5
116.98619	32.7
118.06523	0.9
120.08118	2.9
134.09680	0.8
134.99658	13.7
140.00209	4.4
153.00696	1.7
158.01271	9.5
176.02388	0.6
176.14328	15.3
186.12744	1.8
204.13831	100.0
222.14874	75.2
223.96849	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	223.1077
Annotation	Phe Gly
Peak:m/z	Relative Intensity
54.62141	0.1
56.70252	0.1
63.44881	0.1
71.98756	0.1
77.03922	0.1
84.08150	0.2
85.02911	0.2
91.05468	0.2
93.07029	0.6
95.04950	0.3
97.02876	0.2
98.97585	0.2
103.05472	2.2
115.11778	0.1
115.66951	0.1
119.08556	0.1
120.08103	100.0
129.10332	0.1
134.99554	0.1
143.94403	0.1
160.07564	0.2
165.05499	0.1
191.05750	0.7
191.09480	0.1
205.09657	0.1
223.07675	0.2
223.10811	2.9
223.15211	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	223.1077
Annotation	Gly Phe
Peak:m/z	Relative Intensity
50.08744	0.2
52.24313	0.2
52.87113	0.2
53.05462	0.2
54.53740	0.2
59.36503	0.2
60.46014	0.2
74.20883	0.3
83.32942	0.3
85.06516	0.3
91.05488	1.1
103.05470	1.5
103.69487	0.3
106.06580	0.3
106.86778	0.3
107.04947	0.5
119.08575	0.5
120.08102	100.0
131.04953	2.0
134.05968	0.4
149.05989	2.7
162.28276	0.4
165.34024	0.3
166.08624	38.4
168.04060	0.3
177.10236	9.7
221.38474	0.3
223.10782	2.5
223.12843	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	223.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.0
55.05528	1.2
55.95715	0.8
56.05048	0.9
56.96573	1.0
57.03440	3.9
61.02927	2.0
61.04036	0.8
61.78440	0.8
67.05518	1.6
67.06252	0.9
69.03420	11.3
69.07082	1.2
70.06589	4.0
71.04987	5.4
72.08154	1.1
73.02917	3.6
74.81112	0.9
79.05495	1.5
81.03429	3.8
81.07061	5.9
83.04990	1.2
83.08582	1.2
84.08147	6.0
85.02908	36.6
86.09713	1.2
87.04452	1.0
90.05535	1.6
91.03960	1.6
91.05450	3.3
92.21014	1.1
93.07035	6.1
95.04968	2.1
95.08610	7.3
97.02882	4.6
97.06566	1.1
98.97594	5.1
99.04461	4.0
105.07093	7.2
107.08619	7.9
109.02863	2.4
109.06542	1.4
109.10159	1.1
111.08126	1.5
116.98633	1.9
117.06984	1.3
119.08578	4.1
120.08121	1.5
121.06543	2.3
121.10151	18.8
123.08070	41.6
125.09621	2.0
127.03890	8.2
129.10275	2.0
133.10118	4.2
134.06020	1.4
134.99687	2.1
135.08038	2.1
135.11684	11.1
136.07634	1.5
137.06056	1.3
137.09630	1.5
145.04971	6.4
145.10115	16.8
147.08083	1.8
151.08607	1.2
153.09125	3.8
155.06918	1.2
158.97377	1.3
158.99643	1.3
159.11710	6.6
161.09604	1.4
163.01768	1.0
163.11171	22.1
165.09131	4.3
177.00716	1.1
177.12711	3.9
179.10583	1.8
181.02844	1.7
181.12242	6.8
181.98999	1.1
186.89937	1.0
191.05753	4.0
193.07228	1.6
202.57480	1.4
205.07153	1.5
205.09721	23.2
205.12167	7.3
223.03981	4.9
223.10785	100.0
223.13271	37.5
233.22449	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	223.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
60.54898	0.5
67.05495	0.8
67.77229	0.5
69.07054	0.5
79.05479	0.9
81.07034	0.6
83.04988	0.6
83.35484	0.5
85.02905	33.1
86.09697	0.8
88.39314	0.5
93.07035	5.9
95.04939	2.1
95.08578	2.0
97.06469	0.5
97.92391	0.5
98.97563	3.2
105.07029	2.8
107.08587	6.8
109.06546	0.8
109.10161	5.3
110.07170	0.7
116.98596	3.1
117.99043	0.6
119.08565	6.5
120.08105	11.8
121.10136	14.0
123.08034	0.9
133.06467	1.2
135.11705	0.6
137.09618	29.5
145.10149	2.5
147.08032	1.9
159.11697	1.0
161.05945	3.0
163.11157	5.5
165.09087	3.4
166.08655	3.9
177.12706	0.7
179.10667	5.8
181.12190	2.3
187.11266	2.0
205.12321	5.2
218.72891	0.5
223.13271	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1692
Annotation	Rishitin
Peak:m/z	Relative Intensity
51.71233	0.5
53.29068	0.4
55.05515	2.7
67.05513	23.5
68.03070	0.5
69.07069	2.4
71.04996	0.5
79.05500	8.0
81.07066	100.0
83.08620	1.8
85.06528	0.7
91.05496	1.1
93.07045	6.9
95.04993	0.7
95.08611	89.7
97.06549	0.5
98.07130	0.4
98.97601	0.6
105.07047	2.4
107.08594	9.0
109.06523	0.7
109.10165	23.1
111.08082	0.6
117.06993	0.5
117.74658	0.4
119.08573	2.4
121.10152	7.3
123.08073	2.2
123.11700	1.1
131.08588	4.6
133.10132	0.6
135.11765	0.5
145.10144	2.8
149.02368	4.8
149.09634	2.1
152.41988	0.5
153.09274	0.5
159.11745	0.7
161.13326	0.7
163.11179	0.6
163.14848	4.3
167.10765	0.6
177.16423	1.0
181.12270	0.6
187.14839	6.5
199.91800	0.5
205.15948	2.5
223.16917	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	223.1692
Annotation	Rishitin
Peak:m/z	Relative Intensity
53.03988	0.3
55.01879	0.4
55.05522	3.1
65.03951	0.4
67.05512	25.5
69.07079	3.2
71.04990	0.7
79.05494	8.3
81.07063	100.0
83.08625	2.5
85.06538	0.6
91.05489	1.7
93.07047	9.3
95.05001	0.8
95.08609	94.8
97.06547	0.6
97.10168	1.7
99.08094	0.4
103.03222	0.5
105.07024	2.7
107.08600	9.6
109.06522	0.7
109.10161	23.9
111.08046	0.5
116.98580	0.3
119.08604	1.3
121.10144	8.8
123.08066	2.7
123.11699	3.1
125.09670	0.5
131.08549	3.7
133.10110	0.5
135.08078	1.6
135.11702	1.4
137.09647	0.6
145.10129	3.9
147.11690	0.7
149.09601	3.4
151.80011	0.3
153.07889	0.3
153.09108	0.7
159.11673	0.8
161.13272	1.7
163.11201	0.8
163.14856	4.0
167.10724	2.1
177.16461	1.6
181.12207	0.7
187.14832	6.6
205.15855	4.3
223.11194	0.7
223.14919	0.9
223.16902	15.5
223.20546	0.5
225.04335	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	223.169
Annotation	Rishitin
Peak:m/z	Relative Intensity
55.05509	4.1
56.96560	1.1
67.05508	25.0
69.07082	1.7
72.10344	0.9
77.59595	0.9
79.05493	10.6
81.07060	100.0
81.36884	0.9
83.08626	1.1
85.06551	1.2
91.05483	1.6
93.07043	8.8
95.04948	1.5
95.08605	98.3
98.77846	0.9
98.97590	30.8
99.97930	7.1
103.47350	1.0
105.07030	1.0
107.08580	12.6
109.10159	26.9
116.98626	16.9
117.98982	6.0
119.08553	1.3
121.10163	7.6
123.08035	1.9
123.11699	3.3
131.08553	2.3
134.99660	6.5
135.08058	1.5
135.11658	1.3
136.00044	1.2
145.10136	6.0
149.02304	1.4
149.09595	3.9
158.01213	1.7
159.01613	2.0
159.11609	1.6
163.11179	1.5
163.14832	5.0
167.10605	1.3
181.12358	1.2
187.14833	8.6
205.15887	4.1
223.11237	1.3
223.13071	2.1
223.14815	4.9
223.16934	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	224.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88630	0.6
56.70737	0.6
58.57619	0.7
60.05647	1.5
69.07069	45.8
69.93156	0.7
76.02671	0.6
77.03267	0.7
79.05472	1.1
81.16391	0.7
96.08131	100.0
97.06533	53.1
114.09163	1.7
138.10272	5.2
139.33270	0.7
156.11317	41.3
202.92900	0.8
223.23398	0.8
224.17575	71.3
227.70015	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	224.2007
Annotation	Pellitorine
Peak:m/z	Relative Intensity
51.84642	2.8
53.12387	2.9
55.05512	33.8
57.07093	3.3
61.46311	2.7
67.05507	40.6
69.07069	39.5
71.08630	4.9
79.05504	6.4
79.49047	3.0
79.55968	3.1
81.07059	65.8
83.08620	49.6
86.06081	5.3
91.05472	6.6
93.07044	19.2
95.08606	79.1
97.06522	12.7
97.10175	38.0
98.98467	8.4
100.07614	15.7
105.07027	6.7
105.68894	3.2
107.08569	24.2
109.06552	4.0
109.10153	79.1
111.08060	13.6
111.11708	7.0
113.09578	3.3
114.09164	17.3
118.99021	3.9
119.08585	14.9
121.10123	22.0
123.11680	34.5
125.09616	19.2
126.09158	5.3
128.10742	24.2
133.10143	31.8
137.09633	4.4
138.81277	4.3
142.12251	17.0
145.19829	3.3
147.11688	25.6
149.13306	5.0
151.11139	5.0
160.04509	14.5
161.13164	6.4
163.14815	3.4
165.16383	14.1
176.90630	3.4
178.05664	4.1
178.39328	3.4
189.16405	98.8
207.17476	60.2
224.20102	100.0
228.87952	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	224.2006
Annotation	Pellitorine
Peak:m/z	Relative Intensity
55.05513	24.6
60.78292	3.4
67.05502	26.7
69.07067	49.8
70.06549	3.8
81.07053	44.6
83.07115	4.1
83.08619	38.2
85.06536	6.7
85.07549	4.0
91.05460	6.0
93.07030	5.8
95.08607	77.3
97.06550	4.5
97.10170	29.4
98.98453	19.5
100.07594	6.6
100.97143	6.7
100.97981	4.6
105.07034	6.9
106.88146	5.0
107.08587	24.2
109.06483	5.5
109.10155	58.6
111.08088	9.2
114.09171	8.9
116.98628	5.3
118.98219	7.8
118.99001	4.3
119.08560	18.4
121.10132	10.7
123.11705	32.9
125.09650	7.1
127.01539	7.0
128.10701	20.7
133.10149	33.4
135.11726	5.6
137.09535	4.7
142.03563	6.4
142.12250	7.0
147.11687	6.0
147.82880	4.2
149.13286	4.7
160.04564	30.2
161.13232	9.7
163.14789	7.2
165.16356	5.4
178.05626	8.4
189.16394	70.7
191.70247	4.4
207.17444	53.9
224.20108	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63488	1.2
55.01879	1.5
55.05515	3.1
56.96574	1.7
61.87457	1.5
62.93814	1.5
67.05507	8.0
69.03437	3.2
71.05021	5.6
79.05492	10.3
81.03430	2.6
81.07065	3.9
83.04987	10.4
91.05477	9.2
93.07020	3.8
95.04967	8.4
95.08598	8.1
97.06536	3.9
99.04458	18.5
105.07041	20.9
107.04990	14.0
107.08611	3.1
109.06506	13.9
109.10164	53.0
110.32241	1.6
111.04458	12.0
119.08585	16.0
121.06526	3.7
128.06216	7.6
129.07051	2.1
130.07814	2.2
133.06497	2.3
133.10132	26.5
137.05989	2.3
137.09624	77.5
141.09174	1.9
143.08572	20.9
145.10118	2.3
146.07280	3.8
147.08067	20.7
161.09615	100.0
163.11195	2.9
163.86230	1.8
165.09099	53.4
167.03374	2.6
171.08086	2.4
174.06793	2.8
178.85500	1.8
179.10713	12.2
183.09203	2.5
189.09140	12.8
203.61938	1.8
207.10173	11.4
225.11143	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	225.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97519	2.0
55.01871	2.2
55.05510	19.5
57.03452	3.0
67.05500	17.4
69.03448	3.6
69.07066	9.8
69.39101	2.0
76.50295	2.2
79.05491	22.1
81.03427	100.0
81.07075	29.4
83.04985	26.8
83.08621	37.8
85.06525	2.0
91.05478	27.2
93.07059	20.4
95.04966	31.5
95.08607	13.0
97.06557	4.1
97.10163	4.1
101.95035	3.7
105.07053	16.6
107.04974	9.7
107.08552	8.4
109.06485	4.0
109.10201	3.2
111.04416	4.2
111.08065	10.9
119.08581	19.8
121.06519	3.3
121.10149	10.0
125.43949	2.4
129.07011	11.7
131.08577	10.2
133.10136	11.6
137.97046	3.6
142.07755	2.7
147.08099	3.4
147.11714	19.9
149.09645	5.5
157.10106	20.0
165.12692	2.6
169.10162	3.4
175.11166	24.0
193.12250	67.7
225.14436	3.5
225.16464	22.2
244.91861	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	225.1484
Annotation	(+)-7-Isomethyljasmonate
Peak:m/z	Relative Intensity
52.74016	0.2
53.03950	0.2
55.01873	0.3
55.05516	2.4
57.03448	0.2
57.07081	3.6
59.05000	1.0
65.03938	0.3
67.05508	13.2
69.03437	1.5
69.07071	1.8
71.04989	1.1
79.05481	1.1
80.06248	0.2
81.03406	0.2
81.07061	3.6
83.04989	1.5
83.08613	0.4
85.06541	9.1
85.19872	0.2
91.05478	1.6
92.20791	0.2
93.07039	5.9
95.04984	1.9
95.08607	100.0
97.06532	1.3
99.04451	0.2
99.08098	0.3
104.63018	0.2
105.07035	4.2
107.05007	0.3
107.08598	7.3
109.06512	2.2
109.10165	2.2
111.08074	0.8
113.06003	6.4
116.06049	0.2
117.07027	0.3
119.08575	13.2
120.09383	0.3
120.78210	0.2
121.06525	1.4
121.10143	6.4
123.08065	33.6
123.11704	4.4
125.09677	0.4
127.07509	0.3
131.08586	1.5
133.06496	0.9
133.07516	0.2
133.10106	2.2
135.08075	0.5
135.11687	12.8
137.09625	1.8
137.13275	0.8
139.07547	0.8
141.09094	2.5
145.10165	0.2
147.08020	1.6
147.11681	4.7
149.09616	17.3
151.07550	1.6
151.14830	2.8
153.09068	0.2
156.09387	0.3
161.09674	0.4
161.13248	6.1
161.14513	0.4
163.11208	1.4
165.09050	0.4
165.12730	5.1
171.11696	1.0
173.58199	0.2
174.10419	1.0
174.37697	0.2
179.14304	1.8
180.60471	0.2
189.12712	5.0
207.13794	6.3
211.06758	0.2
234.24260	0.2
237.71857	0.2
239.56880	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	225.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.9
55.05522	18.4
57.03440	2.7
62.87484	0.9
67.05509	14.5
69.03420	6.7
69.07072	9.1
71.04978	2.2
79.05498	18.0
81.03421	100.0
81.07062	19.6
83.04977	29.7
83.08129	1.6
83.08623	31.1
85.06590	1.1
91.05473	20.7
93.07038	11.9
95.04391	1.7
95.04964	34.8
95.08615	10.6
97.02866	1.9
97.06567	1.5
97.10152	8.0
105.07039	15.7
107.04963	8.2
107.08613	7.6
109.06523	2.4
109.10169	1.9
111.08096	12.0
119.08573	15.5
121.06491	2.3
121.10139	7.2
123.08094	1.9
125.09624	2.0
129.06993	11.6
131.05710	1.2
131.08571	12.3
133.06483	4.3
133.10114	12.2
142.07843	1.5
143.08530	1.9
145.10144	1.4
147.08041	4.6
147.11700	14.4
149.09647	9.4
149.36932	1.2
155.08588	1.4
157.10146	17.2
165.12729	2.3
167.06444	1.5
169.10155	1.7
175.11153	19.4
183.11726	5.9
193.12231	62.9
207.13846	1.2
210.13943	1.5
225.14690	3.2
225.16530	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	226.0934
Annotation	Acyclovir
Peak:m/z	Relative Intensity
58.15045	0.5
59.06127	0.5
68.02512	7.2
69.04535	4.2
69.07088	0.6
70.06574	3.1
72.55620	0.5
83.06083	1.0
84.05606	1.1
84.08141	3.3
85.02906	1.0
85.05152	0.7
95.06111	0.8
101.00851	1.1
102.97794	0.7
109.05115	3.1
110.07168	1.0
111.06683	2.9
112.05145	0.6
112.08769	1.1
114.33228	0.8
115.46976	0.7
119.01898	6.0
120.01973	0.7
122.24873	0.7
125.07080	3.2
126.07755	10.5
127.06162	7.4
138.07729	5.1
142.58975	0.6
150.07751	17.2
152.05678	3.6
152.09303	18.3
152.10432	0.6
154.07246	1.5
157.03459	0.7
159.05042	7.0
161.02924	0.8
162.03079	0.8
177.06073	2.3
180.08832	9.4
182.06770	5.6
185.02940	1.1
191.92540	0.7
203.03995	1.1
208.08286	6.4
209.12856	12.1
226.09325	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.1185
Annotation	4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol
Peak:m/z	Relative Intensity
50.81134	0.5
60.40724	0.6
77.08150	0.8
89.33910	0.7
92.64278	0.8
110.20464	0.8
123.06829	0.8
138.05469	0.7
139.07568	0.7
140.07040	0.9
152.04636	1.3
152.07080	0.9
153.07872	9.1
165.08977	10.3
167.06999	1.1
169.07327	3.1
170.12595	0.7
178.07373	4.4
180.07661	4.6
182.08102	11.2
184.09660	13.0
193.08449	4.8
194.06905	1.5
196.07187	7.6
209.09212	36.5
210.08740	3.8
211.09653	1.1
226.11858	100.0
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
60.04519	1.3
70.20209	0.9
83.87101	1.0
86.06039	1.1
86.62444	1.0
94.74416	1.0
97.05341	0.9
100.07644	2.3
102.96895	1.4
110.07163	19.9
112.05100	6.8
113.05878	1.9
114.06635	1.4
126.06638	44.1
135.99966	0.9
138.06644	1.6
140.10670	4.5
150.02138	1.0
151.12312	1.0
156.13835	13.7
166.13397	21.2
168.11246	1.2
175.89337	0.9
182.12881	41.1
183.13692	12.3
184.13275	2.0
194.12875	14.0
198.16034	3.8
226.15497	100.0
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
51.93043	0.9
55.58964	0.9
57.04569	1.3
60.20990	1.0
63.05490	1.0
82.06569	1.4
83.08179	1.1
84.42517	1.2
95.08618	1.2
98.09695	1.9
100.07628	1.4
102.38392	1.2
102.96845	4.7
107.08585	1.3
108.08124	1.1
110.07166	21.9
112.05090	4.8
114.06644	1.7
114.35141	1.1
120.97878	1.2
124.11189	1.6
126.06643	50.7
140.10716	4.5
150.10275	1.2
156.13829	17.2
166.13409	25.9
171.90501	1.1
182.12889	50.5
183.13727	12.6
184.13309	2.5
194.12874	15.3
198.16167	1.7
226.15497	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.155
Annotation	Unknow
Peak:m/z	Relative Intensity
63.98335	0.3
65.27281	0.4
67.05421	0.5
68.02388	2.5
69.04475	0.7
70.06470	10.7
70.06887	2.0
72.04427	0.4
79.76472	0.5
84.08021	11.7
84.08554	1.5
88.49500	0.5
98.03410	0.6
98.05930	0.9
105.33030	0.4
109.05032	0.5
110.07060	1.0
111.06620	0.5
112.04996	0.8
112.07502	1.7
116.06974	0.5
119.01794	2.6
120.01962	0.7
125.07119	23.6
125.07967	0.9
127.06087	0.8
129.10234	3.3
136.00874	0.4
137.02927	0.5
138.07674	0.6
138.09050	0.5
140.66684	0.4
143.03455	0.4
150.07756	6.7
152.09302	4.1
153.06560	2.7
154.07352	3.1
154.45877	0.4
159.04945	0.8
169.46613	0.5
180.08743	1.1
181.13351	6.4
182.06738	0.9
183.83817	0.4
184.95268	0.5
189.77505	0.5
203.00064	0.5
203.04124	0.5
208.08246	0.7
209.03053	2.3
209.12857	100.0
226.07150	0.8
226.09303	24.9
226.11737	1.5
226.15533	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	226.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96969	1.8
53.00317	2.5
55.05517	24.2
57.07081	33.4
62.67113	2.4
64.71585	2.2
67.05502	12.2
69.07072	96.2
71.08633	19.7
72.04536	3.6
72.08150	5.0
73.41721	2.4
79.05491	4.3
81.07059	24.3
83.08626	56.0
85.10171	5.1
86.06062	12.7
86.83012	2.5
93.07048	12.9
95.08615	26.0
97.06577	20.9
97.10178	45.9
99.08080	3.5
100.07613	24.6
104.78216	2.3
107.08626	20.2
109.10149	21.8
111.08080	14.4
111.11707	22.0
114.09144	19.3
120.97894	2.8
121.10136	25.1
123.11714	9.6
125.09636	11.4
125.13296	4.1
128.10741	5.7
135.11685	26.8
139.11194	2.8
142.12245	5.8
145.28845	2.5
149.13243	13.1
153.12737	5.7
156.13789	3.2
163.14699	2.8
167.14328	2.3
167.18045	3.0
174.37611	2.4
184.20667	3.8
187.69167	2.5
191.17944	42.7
200.18199	2.8
209.18983	39.3
211.12297	12.7
222.51408	2.4
226.14491	11.1
226.18011	11.8
226.21638	100.0
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
55.01883	2.6
55.05518	28.2
57.07080	32.3
58.52025	2.0
67.05515	6.0
69.07076	89.0
71.08640	19.6
72.08157	4.4
79.05498	4.3
80.72116	2.7
81.07053	21.7
83.08628	51.5
85.10184	4.9
85.86256	2.5
86.06062	12.9
93.07047	16.3
95.08598	30.3
97.06543	18.9
97.10181	38.7
100.07621	22.2
104.13026	2.9
107.08611	19.1
109.10163	25.0
111.08076	16.9
111.11703	19.9
114.09170	22.9
121.10122	26.3
123.11666	4.1
125.09629	5.0
128.10728	14.7
135.11696	24.8
139.11206	4.6
142.12294	4.7
149.13248	17.7
153.12752	3.4
163.14815	5.0
167.14388	4.8
170.15359	3.4
180.17517	3.2
184.20589	3.2
191.17960	41.1
209.18962	31.9
226.18140	4.9
226.21663	100.0
237.35443	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	227.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00936	0.7
53.27914	0.8
55.01876	3.3
57.96871	0.6
58.60349	0.6
66.30040	0.7
67.05547	0.7
68.05039	1.1
69.07063	0.9
70.06609	0.8
71.05006	0.8
73.02922	36.5
73.14304	0.9
75.08147	0.8
79.05500	3.3
80.63172	0.9
86.09706	28.3
91.05473	1.7
93.07032	2.0
95.04977	4.0
97.06546	1.0
106.06555	21.8
107.08649	0.8
119.04983	0.9
121.06461	0.9
121.10172	0.9
123.04444	7.4
124.03913	1.0
128.28403	0.8
140.04674	39.2
144.10756	0.8
149.09589	1.3
153.05457	1.6
155.05753	1.8
155.07027	51.5
163.01830	13.9
163.07478	0.9
164.91341	0.9
167.07008	1.8
171.06526	3.3
173.08043	1.6
177.04359	1.2
179.07048	2.0
180.14200	0.9
181.02913	13.9
181.04944	100.0
181.08510	4.5
181.81012	0.8
184.09940	9.6
186.03416	1.3
199.18031	1.3
209.08191	17.9
209.11826	1.1
210.09573	4.2
227.09106	13.2
227.12183	6.4
227.17577	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	227.1139
Annotation	Carnosine
Peak:m/z	Relative Intensity
53.03959	2.7
56.05035	1.5
58.04094	19.1
60.05642	2.6
64.93698	1.0
68.05032	29.3
70.06593	2.4
72.04520	5.5
72.05656	1.2
74.06081	43.6
76.05122	14.5
77.30234	1.2
80.05026	24.8
81.05808	1.8
82.06579	11.2
84.04518	1.4
84.08132	2.3
91.05426	1.0
94.06584	2.4
96.04494	74.8
96.08140	1.9
104.58644	1.2
106.06588	10.0
108.08123	57.4
110.07146	1.6
116.08213	100.0
118.05007	5.3
124.03951	2.3
124.07598	4.7
126.09155	11.8
140.03406	5.3
141.10208	5.0
152.07098	7.1
160.07195	6.8
163.01903	1.7
168.06514	2.3
181.02992	1.7
183.12407	8.7
184.09979	1.9
227.11415	26.4
240.52582	1.5
246.71475	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	227.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	9.7
57.03432	6.1
57.07073	3.8
59.05002	1.0
67.05519	10.0
68.99780	3.6
69.03408	1.8
69.07070	9.7
71.05004	2.0
79.05501	10.3
81.07065	18.6
83.04974	3.5
83.08623	37.0
83.55276	0.8
85.06531	4.4
85.10162	3.6
86.09709	1.1
91.05476	24.4
93.07036	21.5
93.07569	1.6
95.04964	27.0
95.08617	8.8
97.02891	1.0
97.06549	2.0
97.10149	3.8
99.08114	1.8
101.02373	11.1
105.07033	2.2
105.48313	0.9
107.04942	3.4
107.08591	59.3
109.06524	27.4
109.10141	16.7
111.04429	3.8
111.08079	100.0
113.09609	1.5
119.03445	6.6
119.08562	3.6
121.10119	12.9
123.08060	1.1
125.09615	20.6
127.07587	4.0
128.08566	0.9
128.49913	0.9
131.08578	6.3
133.10091	1.1
135.08047	18.9
135.11678	7.4
137.05945	9.6
139.11176	1.1
141.09117	1.1
141.85449	0.9
143.08562	1.9
145.10175	7.0
147.07858	0.9
149.09663	12.6
149.13326	1.0
151.07608	7.5
153.09093	65.1
155.06999	7.8
157.10138	3.8
163.01768	11.4
163.11156	5.8
167.04866	1.7
167.10606	8.3
169.08583	75.4
171.11690	5.6
173.09557	1.5
173.13367	1.0
177.09074	3.8
181.02838	10.9
181.12234	1.9
184.09967	14.1
185.11763	23.6
185.13292	2.5
186.03473	3.4
191.10713	2.0
191.17949	1.2
195.10159	63.0
199.07518	4.5
209.11732	4.0
209.15163	1.0
209.19051	1.7
212.15276	1.0
227.07040	6.3
227.12646	4.3
227.14378	4.8
227.17941	25.8
227.20117	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	227.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97263	1.4
53.96241	1.6
55.05510	7.6
67.05501	15.8
69.07061	9.0
71.05000	12.9
73.02918	1.7
79.05497	28.4
81.07058	25.1
83.04965	1.7
83.08627	17.4
91.05479	3.4
93.07040	34.0
94.81761	1.8
95.04964	4.6
95.08612	47.1
97.02873	2.6
97.06512	3.4
97.10166	4.1
99.04459	4.2
105.06997	3.6
107.04955	10.0
107.08590	36.5
109.10184	2.9
111.04404	2.1
116.53371	1.8
117.07001	8.3
119.08572	11.6
121.06477	2.7
121.10127	17.6
125.05997	3.3
125.09614	9.5
135.08090	6.1
135.11703	64.5
139.07492	2.8
145.10120	37.2
149.13315	2.7
163.01776	12.5
163.11176	90.6
181.02863	15.5
181.12245	18.2
184.09982	31.7
189.11124	3.9
227.10519	3.5
227.12741	100.0
227.17870	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	227.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41380	1.6
55.01891	18.3
55.05512	13.6
57.03440	3.1
57.07067	2.6
59.05008	2.3
60.99549	1.7
67.05517	27.7
68.47788	1.8
69.07065	12.6
71.05009	3.7
76.08846	1.7
76.64725	1.7
78.77544	2.0
79.05500	10.3
80.54375	1.8
81.07071	25.3
83.04989	47.7
83.08615	30.6
85.06558	8.2
91.05475	14.2
93.07052	25.4
95.04976	16.7
95.08626	19.9
97.06503	16.2
97.10172	2.7
99.04458	3.4
99.08121	2.2
101.02377	2.6
105.07058	3.9
107.04931	2.7
107.08600	48.9
109.06526	11.2
109.10137	21.7
111.04447	100.0
111.08085	79.2
117.07062	2.3
119.08566	9.4
121.10173	18.0
121.10909	2.1
125.06010	2.5
125.09618	11.9
129.07042	2.5
130.90019	2.1
131.08580	9.1
135.08084	3.4
135.11687	39.4
137.06024	4.6
137.09656	2.5
141.44652	2.0
145.10083	19.7
147.11674	4.1
149.09676	14.7
149.13176	2.4
153.09138	30.9
153.12755	67.6
155.07114	2.3
155.08522	2.5
157.10184	3.2
163.01828	13.6
163.11172	56.1
163.12448	3.7
167.08420	2.2
167.96562	2.0
169.08624	31.3
171.11754	4.2
173.09601	13.8
180.15912	2.1
181.02887	12.0
181.12241	63.3
184.09955	27.2
185.11757	8.0
185.13286	3.5
191.10637	25.0
195.10126	22.9
209.11726	9.0
209.15405	3.0
227.12569	27.7
227.14722	2.4
227.17827	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	227.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.0
55.05523	10.6
57.03459	3.5
66.70647	1.1
67.05509	8.0
68.99803	2.5
69.03432	2.3
69.07079	10.7
71.04989	4.6
79.05493	4.8
81.07061	14.3
83.04987	4.5
83.08620	31.0
85.06561	1.6
85.10181	2.2
86.09692	1.5
91.05486	19.2
93.07045	19.1
95.04971	31.5
95.08623	7.4
97.06524	4.1
97.10173	2.3
99.04448	1.4
99.08099	1.4
101.02369	8.3
105.07053	4.4
107.04970	2.4
107.08601	49.1
109.06522	29.6
109.10136	13.5
111.04485	1.8
111.08082	100.0
112.59981	0.9
119.03420	4.5
119.08577	4.4
121.10136	14.1
123.11701	1.3
125.05972	1.3
125.09633	19.4
127.07524	2.3
131.08586	4.6
135.08061	15.0
135.11702	6.0
137.05966	10.4
139.11224	1.4
143.08583	1.9
145.10130	5.6
147.08054	1.5
149.09639	11.2
149.13229	1.9
151.07538	6.5
153.09106	56.6
153.12596	1.6
155.07030	11.2
155.08313	1.2
157.10062	2.4
163.01826	13.7
163.11188	7.3
167.07060	2.4
167.10661	8.0
169.08600	72.0
169.10045	2.6
171.11681	2.4
172.99789	1.1
173.09598	2.1
177.09100	4.9
181.02876	15.5
181.12218	2.6
184.09966	17.0
185.11777	20.2
185.13255	3.0
186.03363	2.1
191.10669	7.1
195.08353	1.9
195.10149	51.6
209.11678	4.1
209.15218	1.4
227.07071	4.7
227.12639	3.0
227.14537	7.8
227.17920	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	227.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90196	0.5
54.95520	0.4
55.01878	3.8
55.05521	24.2
57.03433	3.4
62.90760	0.5
67.05510	22.2
69.03417	3.9
69.07069	4.6
75.66776	0.5
77.74590	0.5
78.54771	0.4
79.05083	0.6
79.05502	13.8
81.07056	9.1
83.04984	3.3
83.08624	15.8
91.05475	1.3
93.07035	5.7
97.06480	0.6
97.10172	52.7
107.07925	0.9
107.08604	19.7
109.10175	5.4
111.08086	1.2
117.07004	3.2
121.00766	1.0
125.09630	58.3
135.08061	6.6
143.10667	2.8
153.09113	2.6
163.01804	8.2
167.07030	1.0
171.10149	6.4
178.06291	0.7
181.02884	9.0
184.09956	7.2
186.03418	0.9
189.11203	25.5
227.12773	100.0
229.09361	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71030	0.9
51.73536	1.0
53.09442	1.2
55.01859	1.1
55.05521	17.0
57.03438	6.9
57.07068	1.6
60.39736	0.9
67.05511	66.8
69.07072	19.1
71.04998	17.3
75.55215	1.3
76.03764	1.2
79.05499	26.7
81.03412	1.2
81.07064	100.0
83.04980	5.1
83.08621	24.4
85.06539	7.3
88.51969	1.1
91.05476	19.6
93.07045	67.8
95.04977	4.6
95.08604	33.3
97.06532	13.9
97.10172	12.1
99.08077	2.8
105.07042	7.4
105.18855	1.2
107.08589	36.9
109.06535	2.6
109.10158	5.9
111.08103	8.7
113.06012	1.4
117.07017	13.3
119.08605	2.3
120.97915	1.1
121.06518	2.1
121.10141	19.0
123.11698	5.9
125.09644	9.7
131.08607	13.6
133.10132	23.8
135.08061	4.8
135.11693	28.7
138.17351	1.2
139.01791	1.4
145.10150	1.5
147.11755	1.1
149.13260	46.2
151.11192	1.8
153.09048	1.4
157.10165	2.5
159.11674	26.4
163.01846	6.4
163.11087	1.2
167.14383	1.4
171.11646	2.3
177.12686	10.4
181.02884	5.6
184.09953	25.9
186.03546	1.5
189.11232	5.6
195.13794	17.1
213.14891	1.4
227.12770	19.2
227.14989	1.6
227.15811	1.4
227.17841	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	227.164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65414	0.9
54.42566	0.9
55.01883	1.9
55.05523	13.6
57.03437	5.1
57.07072	1.9
60.57306	0.8
65.03952	1.0
67.05512	69.0
69.07075	22.6
70.53512	0.8
71.05004	8.5
71.08605	0.8
79.05497	33.8
81.03407	1.2
81.07064	100.0
83.04986	7.8
83.08630	24.7
85.06551	8.4
91.05486	20.0
93.07047	67.2
93.07639	2.3
95.04961	6.6
95.08607	31.2
97.06526	14.3
97.10177	6.3
99.08112	4.0
105.07032	8.5
107.08599	44.0
109.06564	3.7
109.10153	4.9
111.08088	9.5
117.07054	13.5
119.08572	4.0
121.06468	0.9
121.10143	15.5
123.11707	5.8
125.09641	4.5
128.18842	1.2
131.08588	15.8
133.10130	20.6
134.52675	0.9
135.08052	1.6
135.11703	24.8
145.10088	0.9
147.11720	1.9
149.13264	46.5
149.14481	1.7
151.11220	2.4
159.11696	29.2
163.01819	4.7
163.45065	1.1
177.12735	11.5
181.02847	3.9
184.09950	16.5
192.11067	1.1
195.13785	18.5
213.14827	1.6
227.12733	6.7
227.17950	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	227.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52879	1.6
55.05528	16.9
57.03445	12.7
57.07074	2.7
67.05515	72.2
69.07072	28.1
71.04999	4.4
79.05504	35.2
81.07064	100.0
83.04983	11.1
83.08630	20.9
87.35762	2.2
91.05482	14.0
93.05777	2.7
93.07043	77.8
95.04970	3.8
95.08615	28.9
95.15807	2.1
97.06525	13.5
105.07036	4.0
107.08604	42.2
109.10154	3.2
111.08085	12.0
116.92377	2.3
117.07034	16.9
119.08572	2.6
121.10134	22.3
131.08571	20.5
133.10153	19.7
135.11705	28.1
149.13252	63.6
159.11696	32.1
163.01764	2.5
171.11612	2.4
177.12753	12.6
184.09947	65.8
195.13785	21.1
204.79866	2.3
227.18137	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	227.164
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66751	1.1
55.01890	2.1
55.05514	8.9
55.51435	1.1
57.03442	3.5
59.34310	1.3
67.05181	2.3
67.05513	39.5
69.07075	18.8
71.05000	43.5
71.08614	1.4
79.05498	18.1
81.07068	63.2
83.04990	5.9
83.08630	12.6
85.02911	100.0
85.06552	6.3
91.05472	18.6
93.07047	47.2
95.04975	2.9
95.08608	17.7
96.81191	1.8
97.06538	14.9
97.10176	5.3
99.04451	1.3
105.07019	2.5
107.08607	23.5
109.10173	11.2
111.08083	9.5
117.07011	6.9
119.08614	13.2
121.06493	1.3
121.10148	12.2
123.11667	1.6
131.08569	7.6
133.10129	11.3
135.11688	26.8
137.09628	7.6
149.13264	41.5
149.36467	1.4
153.12766	11.6
159.11708	17.9
177.12784	13.7
184.09962	17.3
195.13811	47.1
195.15475	2.8
227.12727	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	227.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61600	1.5
54.75570	1.4
55.01880	2.1
55.05511	9.7
57.03452	14.7
57.07072	3.1
61.44123	1.9
62.98197	1.6
66.16039	1.5
67.05509	60.4
69.07069	26.8
71.04990	8.8
71.08618	1.7
79.05508	30.0
79.30779	1.8
81.07063	87.8
83.04989	7.7
83.08610	18.9
85.06548	3.9
86.83167	1.8
91.05489	15.5
93.07047	63.1
95.04982	8.6
95.08611	34.9
97.06506	16.7
97.10154	4.5
99.08089	2.9
105.07025	7.4
107.08602	38.1
109.10120	2.5
109.54604	1.8
111.08096	11.7
111.76401	1.8
117.07029	14.7
120.97887	2.7
121.06486	3.9
121.10151	21.4
123.11707	2.4
123.40950	2.0
125.09659	2.2
131.08575	16.6
133.10114	14.0
135.08133	2.1
135.11674	19.4
149.13261	63.2
159.11679	30.6
161.45610	1.8
163.01779	2.7
176.95338	2.0
177.12694	15.6
181.02888	2.9
184.09962	100.0
185.10851	2.9
189.11200	2.0
195.13794	24.4
227.12524	2.7
227.15349	10.1
227.21912	3.8
233.08109	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	227.164
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15278	1.3
55.01873	2.2
55.05513	11.1
55.16046	1.6
57.03439	12.5
57.07087	4.4
58.05259	1.6
58.60891	1.9
60.41494	1.5
62.74825	2.0
67.05509	83.9
69.07081	27.4
71.04982	7.8
79.05145	2.1
79.05507	32.1
81.07062	100.0
82.03059	1.7
83.04977	9.6
83.08613	21.5
85.06532	7.7
91.05498	16.8
93.07040	69.3
95.04957	3.5
95.08609	30.8
97.06520	17.4
97.10174	4.1
99.08067	7.2
105.07027	8.2
107.08594	46.2
109.06516	2.9
109.10166	4.1
111.08057	8.6
117.07019	12.1
120.97955	2.4
121.06483	2.0
121.10154	29.8
125.09594	2.2
131.08568	15.0
133.10138	16.9
135.07985	1.9
135.11699	24.2
149.13257	73.5
151.11197	2.6
159.11668	33.7
171.11674	2.3
177.12781	14.6
181.02859	2.8
184.09943	77.4
185.10648	2.2
195.13847	26.9
203.66628	2.0
227.15796	3.3
227.17989	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	227.1754
Annotation	1,8-Diazacyclotetradecane-2,9-dione
Peak:m/z	Relative Intensity
50.15478	0.4
60.38377	0.4
69.07071	5.4
79.05508	3.4
86.09694	0.4
96.08135	29.3
97.06550	0.9
113.10759	7.6
114.09171	24.1
115.07558	1.7
181.11003	0.4
209.16481	18.5
210.14818	0.5
227.17532	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	228.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70472	0.2
55.61931	0.2
55.83782	0.2
56.46989	0.3
60.60570	0.3
64.73746	0.2
68.81069	0.2
74.01678	0.2
75.67356	0.3
82.93759	0.3
94.25245	0.3
95.01341	0.6
107.08661	0.3
112.03983	0.5
122.02395	100.0
122.10444	0.4
125.09637	0.3
126.09979	1.2
136.03970	0.5
140.03442	3.9
150.09930	0.4
154.04994	13.2
164.03427	64.6
186.07635	13.1
196.06059	9.5
210.15501	0.3
228.08678	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	228.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87511	0.6
60.05645	1.1
63.81552	0.7
67.02997	1.6
70.06583	0.8
72.08151	0.8
75.26939	0.7
78.06805	0.7
81.07071	0.8
84.08147	3.2
86.09716	8.7
87.10047	2.7
94.02921	4.2
95.04916	0.6
96.05607	0.7
98.06040	0.7
102.05544	2.7
105.07035	11.0
106.57626	0.7
108.05607	38.7
109.06400	0.8
109.91409	0.7
120.22184	0.7
122.02382	1.2
126.05523	50.2
126.06609	6.2
129.10257	10.4
136.05063	4.4
146.02576	0.7
154.04973	10.0
154.06129	24.6
164.03395	0.9
168.07681	100.0
182.13213	1.0
182.15292	0.8
183.11194	0.8
186.07399	2.4
186.08990	6.9
205.02942	0.9
210.12430	2.8
210.14944	2.9
214.08249	10.0
228.09807	90.6
228.13144	8.0
228.22816	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	228.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87511	0.6
60.05645	1.1
63.81552	0.7
67.02997	1.6
70.06583	0.8
72.08151	0.8
75.26939	0.7
78.06805	0.7
81.07071	0.8
84.08147	3.2
86.09716	8.7
87.10047	2.7
94.02921	4.2
95.04916	0.6
96.05607	0.7
98.06040	0.7
102.05544	2.7
105.07035	11.0
106.57626	0.7
108.05607	38.7
109.06400	0.8
109.91409	0.7
120.22184	0.7
122.02382	1.2
126.05523	50.2
126.06609	6.2
129.10257	10.4
136.05063	4.4
146.02576	0.7
154.04973	10.0
154.06129	24.6
164.03395	0.9
168.07681	100.0
182.13213	1.0
182.15292	0.8
183.11194	0.8
186.07399	2.4
186.08990	6.9
205.02942	0.9
210.12430	2.8
210.14944	2.9
214.08249	10.0
228.09807	90.6
228.13144	8.0
228.22816	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	228.1343
Annotation	3-acetamino-6-isobutyl-2,5-dioxopiperazine
Peak:m/z	Relative Intensity
63.97118	0.3
68.05020	1.3
68.60363	0.3
69.05812	2.7
69.07040	0.4
70.02962	0.7
72.08167	2.7
79.97520	0.3
83.06116	3.2
86.09699	3.4
88.03989	2.4
95.08614	0.3
96.05614	16.1
97.06420	0.6
98.07189	3.6
108.05593	0.6
110.07166	14.9
111.34121	0.3
113.05912	0.4
113.96294	0.3
114.05534	0.6
116.03447	6.5
124.08705	2.5
126.06639	2.3
132.06552	2.8
140.10719	3.0
140.11703	0.4
154.04848	0.5
154.06102	12.0
156.20076	0.3
164.11848	1.9
166.13387	6.0
182.06316	0.4
182.12917	2.1
184.09843	0.4
186.11313	3.2
205.10376	0.4
210.12372	46.7
228.13431	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	228.1344
Annotation	3-acetamino-6-isobutyl-2,5-dioxopiperazine
Peak:m/z	Relative Intensity
52.28579	0.5
53.53091	0.5
62.81110	0.5
68.05032	1.2
69.05812	6.0
69.07059	1.3
70.06605	0.8
73.02927	2.2
77.13327	0.5
78.59570	0.6
79.88882	0.6
83.06103	5.4
84.08111	0.9
86.09709	9.8
87.10034	0.5
88.27362	0.6
93.29224	0.6
96.05616	43.2
97.06430	2.6
98.07190	7.0
108.05611	1.2
108.08113	0.8
110.07172	34.9
114.06632	0.6
117.92391	0.5
118.41111	0.6
123.07930	0.6
124.08715	4.6
126.06644	3.8
129.10225	1.3
141.04970	1.1
154.06116	25.4
155.11758	1.3
156.07423	1.0
158.59392	0.5
164.11748	4.7
166.13391	11.5
181.04990	1.1
182.03349	0.7
182.05302	4.7
182.12894	3.3
200.14005	0.8
210.12381	100.0
228.13445	66.9
228.23254	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	228.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	20.4
57.03469	1.5
57.07073	3.1
59.05035	1.1
67.05510	36.0
67.32440	1.2
67.65563	1.1
69.07073	19.0
71.04983	2.7
71.08629	1.9
78.18076	1.1
79.05504	6.0
81.07064	49.3
83.08630	39.9
85.06543	5.1
86.20129	1.4
91.05478	3.1
93.07059	10.9
95.08608	100.0
97.02876	1.3
97.06528	5.2
97.10168	21.3
99.08075	1.6
105.07055	3.0
107.08591	5.8
109.10160	51.9
111.08089	7.9
111.11739	1.8
119.08609	11.0
119.11929	1.2
121.10127	2.8
123.08044	2.6
123.11688	6.3
125.09614	1.8
129.09146	1.5
133.10088	10.1
135.11722	2.7
136.19658	1.3
137.09589	5.1
147.11699	7.7
149.13248	2.9
151.14850	6.9
175.14815	35.8
184.09918	1.9
185.10277	7.2
187.09744	2.3
193.15897	19.1
210.18546	3.0
211.16904	7.3
228.12502	3.1
228.19595	7.2
228.23228	8.5
229.18042	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	228.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.9
56.05438	0.5
57.07087	6.8
58.54515	0.6
59.90550	0.5
67.05531	0.6
69.07057	2.3
71.08622	4.1
74.06084	3.1
81.07063	2.4
83.08627	1.0
88.07639	12.2
95.08627	4.4
97.10139	0.9
102.09168	7.3
109.10172	3.2
116.10723	3.2
124.97914	0.6
130.12285	1.0
167.99510	0.6
175.14841	0.7
185.10277	3.7
228.23230	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	228.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47386	0.7
55.05502	1.0
57.07074	7.1
67.05500	1.3
71.08606	1.4
74.06069	4.1
80.43348	0.7
81.07043	1.8
83.08598	1.7
85.10174	0.9
88.07632	13.1
95.08591	4.1
98.09621	0.7
102.09178	8.4
116.10722	3.0
118.59187	0.8
175.14700	0.9
185.10277	1.1
228.23215	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	228.232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07930	1.0
55.58186	1.2
55.66873	1.3
57.07076	6.2
58.53748	1.2
61.40146	1.2
61.44162	1.2
63.05204	1.5
64.98921	1.3
71.08621	2.9
72.63891	1.3
74.06082	1.3
74.58153	1.4
88.07632	15.4
102.09169	7.2
116.10760	1.5
175.77406	1.4
193.38538	1.4
197.40535	1.4
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	229.0222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95948	2.0
55.38429	1.9
57.56789	2.3
60.08164	4.0
70.06590	14.4
73.84608	2.2
85.02853	2.6
86.09695	2.6
96.39919	2.2
110.02394	3.4
115.92270	2.3
117.70671	2.1
142.08636	28.2
148.04799	2.6
183.15045	3.1
187.04500	2.6
205.98772	3.2
210.95996	3.1
229.05811	2.9
229.15454	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	229.0222
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06623	1.7
60.08157	6.3
70.06606	12.2
72.08142	2.4
75.72150	1.4
124.07587	1.8
128.26202	1.5
142.08656	22.6
170.08040	2.1
229.15483	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59452	9.3
55.30391	7.5
57.55956	8.3
63.29633	6.8
70.06613	16.5
80.96029	8.2
84.08142	12.1
88.66423	8.6
142.08673	14.8
175.24603	10.5
183.00258	9.3
229.15479	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	229.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.3
56.05032	0.3
57.03443	0.3
58.06602	0.6
58.45613	0.1
60.08172	0.4
62.99084	17.7
64.20678	0.1
69.03427	1.7
70.06598	2.1
71.04997	0.3
72.08176	0.4
72.95827	0.2
73.01128	0.2
73.02929	0.2
81.00124	6.4
81.03435	0.4
83.04975	0.2
83.94833	0.2
84.04485	0.4
84.08150	0.7
85.02904	1.3
85.06533	0.3
86.09694	1.5
91.02184	10.7
97.02931	0.2
97.06557	0.2
99.04441	0.3
114.05508	0.2
116.07118	0.8
121.03204	100.0
127.03929	1.0
134.53172	0.2
142.08633	3.1
145.96729	0.2
163.97675	0.2
179.08165	0.3
201.12344	0.3
205.98830	1.5
211.10858	0.3
229.05603	1.4
229.11957	0.4
229.15459	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	229.107
Annotation	Depdecin
Peak:m/z	Relative Intensity
51.51838	1.1
55.01877	1.5
57.03440	17.8
67.05515	12.0
68.99786	1.2
69.07065	6.2
70.06599	34.3
71.04980	2.4
72.40308	1.3
75.62933	1.3
77.90279	1.2
79.05506	12.2
81.07063	100.0
83.04993	1.6
83.08621	2.3
83.42921	1.4
85.02915	1.8
85.06548	13.6
86.09709	13.2
87.00826	5.8
91.05489	12.0
93.07042	14.1
95.04961	1.7
95.08609	9.9
99.08088	1.7
100.11214	1.4
105.07046	6.4
107.04950	1.9
107.08604	3.2
109.06523	82.1
109.10142	6.0
111.04450	5.4
111.08051	1.9
115.07597	1.6
116.07108	14.1
119.04914	8.9
119.08555	11.8
121.03188	1.6
121.10153	2.7
127.07555	23.5
133.10107	10.0
135.11729	2.4
137.05988	85.3
147.11685	6.2
155.07112	10.4
156.08095	3.2
163.01845	2.5
169.07663	1.7
173.08070	3.3
173.10683	2.8
175.14789	14.4
184.07573	16.3
186.09245	2.7
193.15842	7.1
201.10301	18.5
205.98773	4.9
212.07036	5.9
229.06653	2.5
229.10400	37.6
229.13129	2.3
229.13527	1.5
229.15512	20.0
229.17720	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	229.107
Annotation	Depdecin
Peak:m/z	Relative Intensity
51.51838	1.1
55.01877	1.5
57.03440	17.8
67.05515	12.0
68.99786	1.2
69.07065	6.2
70.06599	34.3
71.04980	2.4
72.40308	1.3
75.62933	1.3
77.90279	1.2
79.05506	12.2
81.07063	100.0
83.04993	1.6
83.08621	2.3
83.42921	1.4
85.02915	1.8
85.06548	13.6
86.09709	13.2
87.00826	5.8
91.05489	12.0
93.07042	14.1
95.04961	1.7
95.08609	9.9
99.08088	1.7
100.11214	1.4
105.07046	6.4
107.04950	1.9
107.08604	3.2
109.06523	82.1
109.10142	6.0
111.04450	5.4
111.08051	1.9
115.07597	1.6
116.07108	14.1
119.04914	8.9
119.08555	11.8
121.03188	1.6
121.10153	2.7
127.07555	23.5
133.10107	10.0
135.11729	2.4
137.05988	85.3
147.11685	6.2
155.07112	10.4
156.08095	3.2
163.01845	2.5
169.07663	1.7
173.08070	3.3
173.10683	2.8
175.14789	14.4
184.07573	16.3
186.09245	2.7
193.15842	7.1
201.10301	18.5
205.98773	4.9
212.07036	5.9
229.06653	2.5
229.10400	37.6
229.13129	2.3
229.13527	1.5
229.15512	20.0
229.17720	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	229.1071
Annotation	Depdecin
Peak:m/z	Relative Intensity
53.03951	3.1
55.01870	6.8
55.05522	24.3
57.03238	1.4
57.03455	23.5
57.07071	2.0
61.02931	6.9
65.86430	1.5
67.05500	13.0
69.03435	73.2
69.07073	33.1
70.06598	100.0
71.01343	7.2
71.05000	18.6
72.08158	4.0
73.02927	10.0
79.05499	11.8
80.22686	2.0
81.03425	36.4
81.07063	20.3
81.74956	2.0
83.04986	29.4
84.08151	6.9
85.02904	37.8
85.04018	3.1
85.06554	23.9
85.44118	1.7
86.09716	47.6
87.04462	3.7
87.10065	2.5
91.05464	11.0
93.07050	21.8
95.04977	33.6
95.08614	18.7
97.02898	40.3
97.06532	31.9
98.02402	4.1
99.04464	17.6
103.03925	2.9
105.07048	12.9
107.04953	6.9
107.08598	3.2
109.02899	11.3
109.06529	40.1
109.10182	3.5
110.02366	19.8
111.04442	19.4
111.08080	13.8
113.02346	1.8
113.06010	7.9
113.10795	7.7
115.03908	1.8
115.07578	4.5
116.07091	39.5
117.07040	9.1
119.08584	15.6
121.06512	11.8
123.04440	12.7
123.08075	14.2
124.03970	2.3
125.06001	10.1
126.09154	2.1
127.03935	29.6
127.07539	2.0
129.05496	23.0
129.07037	1.7
133.06487	3.3
135.08119	15.5
137.05965	6.7
137.09633	3.7
138.38037	1.8
139.07547	6.6
141.05498	2.8
141.09152	6.9
141.10233	21.5
145.04909	2.2
145.96635	1.9
147.08073	13.0
151.07565	11.0
153.09081	2.3
155.11844	2.4
156.12164	2.0
163.01834	1.8
163.07567	9.2
163.97708	3.6
165.09102	9.2
166.08670	21.3
167.07011	2.2
168.07388	2.7
169.08588	2.3
177.75325	1.6
181.08614	10.7
183.07742	2.4
183.14807	2.1
187.10840	3.9
192.17975	1.7
193.08598	10.5
198.08792	1.8
205.98767	11.5
211.09697	9.2
212.09207	8.5
221.46942	1.7
229.10533	28.6
229.15382	38.9
232.73326	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	229.1184
Annotation	(S)-ATPA
Peak:m/z	Relative Intensity
55.01884	1.0
58.18996	0.8
60.71874	0.8
67.05521	0.9
68.05025	1.0
69.07075	61.4
70.02960	3.5
70.06598	17.3
72.08153	5.4
73.02917	3.3
73.04047	1.7
73.06554	1.9
81.34075	0.8
84.04513	1.7
84.08135	5.5
85.04036	22.9
85.90664	0.9
86.09715	42.6
87.10020	0.9
88.03980	1.6
96.04494	1.1
96.08134	1.8
97.06516	4.2
98.02425	22.4
99.05608	0.9
100.03983	1.0
109.06473	1.1
110.02410	78.7
112.11314	0.8
112.49886	0.9
113.10770	47.0
114.53030	0.9
115.05048	4.3
115.07580	1.4
116.07095	24.1
116.08284	0.9
124.03962	14.0
124.07639	1.0
126.09135	0.9
129.10278	2.0
137.05920	1.0
138.09193	1.9
141.10236	100.0
142.08664	5.4
145.96701	2.2
155.11797	5.4
156.10181	1.7
163.01762	3.5
163.97723	5.5
166.08633	82.2
167.07077	1.1
169.04930	3.5
169.09735	6.1
171.05255	1.7
181.02837	1.2
183.07620	1.1
183.11292	7.3
186.07632	3.7
187.10803	23.5
187.97786	2.1
201.12370	4.3
205.98767	15.7
211.10767	1.6
212.09161	26.0
212.11140	1.5
221.61316	0.9
229.00565	1.0
229.02885	1.4
229.06674	1.1
229.11841	3.5
229.15482	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	229.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	10.6
58.04074	2.2
68.05023	3.3
69.04557	14.2
70.06590	22.1
72.04498	5.9
72.08150	5.5
74.02437	3.4
74.06073	12.5
77.27090	1.8
80.83948	1.3
83.06088	2.1
84.04509	2.7
84.08145	3.3
86.06065	11.0
96.05598	16.7
98.41938	1.5
102.05536	7.5
110.07165	14.0
111.07940	3.1
112.08732	1.8
116.08202	21.9
118.04985	1.7
120.06522	2.7
127.59864	1.5
128.08195	100.0
142.08632	9.1
144.16278	1.8
154.08618	2.1
183.11252	1.4
197.10313	5.8
209.29417	1.9
210.83456	1.5
212.10301	9.9
229.12956	80.5
229.15453	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	229.1295
Annotation	Deoxyguanidinoproclavaminic acid
Peak:m/z	Relative Intensity
56.05045	34.6
58.04089	2.1
60.04525	1.1
60.39428	0.9
63.77029	0.9
68.05035	5.5
69.04559	20.2
70.06594	19.2
72.04517	6.7
72.08160	1.2
74.02445	6.3
74.06086	17.6
83.06094	2.0
84.04530	1.3
84.08142	10.5
84.63091	0.9
85.67498	0.9
86.06061	10.1
89.97398	0.9
95.06083	1.3
96.05618	17.2
102.05553	15.1
108.08100	1.2
110.07172	15.3
111.07914	3.4
112.05089	1.2
112.08695	2.2
116.08220	34.8
118.05025	2.3
120.06638	1.8
126.09087	1.3
128.04594	2.1
128.08205	100.0
135.07658	1.0
136.08708	2.1
142.08620	1.3
154.08669	1.4
184.10883	1.6
185.14034	2.1
186.11270	5.9
211.12056	1.0
212.06706	5.3
212.10312	15.0
229.09384	2.2
229.12975	72.2
229.15367	6.9
243.28934	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	229.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	4.3
57.03442	17.7
58.92182	0.8
59.05004	5.4
59.48714	0.9
67.05510	79.3
68.27572	0.8
71.04984	1.4
75.84043	0.8
81.07069	9.6
83.08623	7.7
85.06557	1.9
91.05470	6.5
93.07048	2.3
95.08579	5.0
107.08606	1.1
109.10157	100.0
111.08076	6.1
119.08572	5.5
137.09642	2.2
152.73944	1.0
155.10675	9.6
173.11745	17.4
212.82382	1.1
229.14346	42.4
229.16573	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	229.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63748	0.9
51.07660	0.7
55.05504	5.3
55.08871	0.9
57.03440	19.8
57.07081	1.0
59.04984	4.8
67.05508	86.2
71.04976	3.5
75.35736	0.8
79.76254	0.8
81.06664	1.0
81.07066	11.9
83.08620	7.1
85.06520	1.7
91.05462	5.5
93.07016	3.9
93.83154	0.9
95.08614	7.7
103.03867	1.3
105.06996	1.2
107.08549	1.4
109.10155	100.0
111.08044	4.7
119.08566	8.7
121.10194	1.0
130.77223	1.1
135.11647	1.0
137.09604	5.5
143.79192	0.9
145.10118	1.6
147.11641	1.8
155.10693	6.7
159.11702	3.9
173.11746	22.1
173.13156	2.6
191.13226	0.8
193.01382	0.8
211.14871	1.6
229.14268	44.1
229.19403	12.9
236.91144	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	229.1546
Annotation	H-Pro-Ile-OH
Peak:m/z	Relative Intensity
56.04814	0.3
56.05043	4.9
58.06610	3.0
59.07385	0.4
60.08175	4.8
63.66813	0.3
64.67236	0.3
68.05038	0.4
69.04559	0.3
70.06594	14.2
72.08160	2.1
72.97773	0.3
74.06081	3.5
84.04500	1.7
84.08150	0.5
86.09703	0.5
96.05609	0.7
102.05560	2.7
110.07150	1.3
114.05524	2.4
116.07076	0.4
116.08218	9.4
118.08627	0.6
124.07597	3.2
126.09145	0.6
128.04559	0.4
128.07217	0.7
128.08203	16.4
142.08638	22.0
145.05144	0.4
154.08705	0.4
154.23116	0.3
170.08121	1.4
179.09273	0.5
183.11200	0.6
197.10309	1.3
205.98868	0.5
212.06770	0.4
212.10300	2.2
218.45718	0.3
229.13054	8.7
229.15450	100.0
237.63014	0.4
242.93425	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	229.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	5.2
59.05008	0.8
67.05507	5.6
69.07085	3.7
70.06617	3.7
71.05009	4.0
79.05492	1.1
81.07069	7.1
83.05007	1.4
83.08633	5.8
85.06577	1.7
93.07041	9.0
94.35556	0.8
95.04971	10.1
95.08606	23.8
97.06517	1.4
99.04453	11.7
99.08093	100.0
101.06009	1.0
107.08607	9.1
109.06549	1.2
109.10159	45.8
111.08085	1.6
113.06057	1.3
113.09623	1.3
117.09151	3.8
119.08597	6.0
121.10171	3.8
122.02443	1.0
123.02753	3.1
123.08073	1.4
123.11713	1.6
125.09662	1.4
125.87769	0.8
127.11227	3.6
131.97745	0.7
133.10129	5.6
135.11696	18.3
137.09618	13.5
149.13284	1.5
151.11205	1.7
151.14867	1.5
153.12700	7.2
155.10663	21.3
157.98579	0.8
164.59337	0.7
171.13885	1.4
175.14804	5.9
193.15889	9.2
211.16931	27.2
211.18878	1.3
229.16019	0.8
229.17963	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	229.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	8.7
55.66227	1.3
57.03469	1.4
57.87250	1.6
67.05516	11.5
67.34216	1.2
69.07073	10.5
70.06604	7.5
71.05008	7.4
79.05512	2.0
81.07073	14.1
81.31858	1.3
83.08624	22.9
85.06563	2.6
91.05484	1.8
93.07034	18.5
95.04964	18.7
95.08602	43.1
97.06544	3.6
97.93594	1.4
99.04463	9.2
99.08091	100.0
105.07053	3.1
107.08603	22.6
109.10157	59.7
111.08094	6.1
113.05982	1.5
113.09667	3.3
115.26119	1.6
119.08571	16.8
121.10168	5.8
123.08041	1.5
123.11699	5.1
127.11178	11.5
132.08098	1.8
133.10150	9.2
135.11690	59.9
137.09624	21.0
142.06607	1.6
144.08086	1.7
145.96490	1.4
146.05981	5.6
149.13330	2.6
150.51044	1.3
151.11221	2.5
151.14723	2.4
153.12753	32.2
155.10654	34.9
170.06041	3.6
171.13766	7.2
175.14806	15.3
183.09164	76.3
188.07112	3.3
192.36882	1.6
193.15794	14.8
205.98711	1.7
211.16913	47.0
229.09760	40.7
229.17978	2.8
234.02499	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	229.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24330	1.5
50.34979	1.4
55.01875	7.9
55.05523	47.5
56.05033	9.1
57.03433	7.8
57.07081	18.2
58.06600	2.7
59.05006	4.3
67.05180	3.1
67.05511	65.7
67.29121	1.7
69.06700	3.2
69.07074	92.7
70.06590	10.3
71.04982	7.6
71.08622	7.4
72.08160	2.3
73.06552	2.7
79.05495	25.3
81.03434	2.3
81.07059	55.2
82.06583	3.6
83.04990	7.5
83.08627	100.0
84.08158	7.8
85.06538	7.8
91.05479	10.1
93.07042	48.5
95.04956	2.0
95.08603	20.7
96.08138	10.2
97.06535	22.8
97.10165	15.4
98.09691	2.2
100.07635	2.6
105.07031	9.5
107.08599	38.2
109.10160	56.6
110.09676	12.8
111.08101	15.9
114.09145	2.3
119.08556	8.2
121.10149	22.1
123.11710	8.6
124.11193	3.3
125.09613	4.1
129.06972	2.7
131.08542	2.2
133.10144	9.0
145.10049	2.5
147.11682	9.8
149.13251	53.5
153.13428	1.9
155.10655	2.1
157.10132	2.8
159.11679	7.9
166.15900	38.3
167.14288	18.4
173.11719	7.8
183.18579	4.0
194.15413	60.4
196.16969	7.3
211.14825	2.1
211.18109	4.5
212.16435	7.7
229.14076	14.6
229.16252	3.2
229.19257	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	230.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02340	0.5
54.60725	0.7
55.05521	0.9
56.05037	6.3
57.03445	8.6
57.07085	0.9
60.05651	10.7
66.67175	0.8
67.05502	4.1
68.05853	1.1
69.07076	0.9
70.06590	1.7
71.08630	3.4
72.08155	1.6
76.05118	1.2
81.07059	1.6
83.08617	0.9
84.08188	0.7
86.06079	3.6
86.07189	1.7
89.55766	0.7
93.07012	1.4
95.08568	1.3
96.04516	1.4
96.05620	5.3
96.08096	1.0
98.06051	1.1
99.08080	3.4
100.05114	3.3
107.08601	3.3
109.10158	1.4
110.09702	0.8
110.10537	1.6
111.05570	5.1
111.08065	1.3
119.08554	1.1
124.05080	0.9
124.11295	1.8
134.07185	0.9
134.58784	0.9
138.06613	8.7
138.12784	0.8
140.11256	0.8
141.34129	0.9
142.12282	7.4
152.10707	3.6
156.10133	6.0
166.13414	12.7
166.15781	2.9
168.11310	1.2
170.11754	59.1
176.11792	1.4
179.12724	0.9
180.11311	8.7
182.12831	1.4
184.14526	1.1
184.16951	22.4
194.12883	100.0
195.11246	1.7
198.12337	6.6
201.93475	0.8
212.13940	55.3
214.15474	1.8
224.17567	1.7
230.12724	1.6
230.14980	20.7
230.17300	2.5
230.21127	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	230.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69126	0.3
55.05522	0.6
57.03444	0.6
59.09099	0.3
60.05659	100.0
62.29322	0.3
67.05524	0.8
69.07072	6.4
70.06602	17.3
70.06991	0.7
71.08647	1.0
77.20383	0.4
78.06108	0.3
81.07080	0.4
85.06564	1.7
86.70212	0.4
90.01044	0.4
95.06056	0.4
97.10185	0.9
98.09733	0.7
99.08116	3.0
109.10189	0.6
110.10523	0.4
111.05579	0.6
112.08746	8.5
113.61172	0.3
125.09684	0.8
130.09772	3.1
137.03014	0.4
138.12827	1.6
142.12396	0.6
144.11340	0.8
150.90384	0.4
168.11276	4.3
168.13773	0.5
170.11760	5.2
180.14941	6.6
184.14510	1.5
184.16977	1.5
186.12408	1.8
186.14952	0.9
194.12898	0.5
198.00722	0.4
198.12413	1.5
198.15976	6.8
212.13983	11.3
212.17540	9.0
230.15019	34.3
230.18552	6.9
240.00569	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	230.175
Annotation	N-decanoylglycine
Peak:m/z	Relative Intensity
51.76604	0.8
53.21614	0.8
55.05511	2.6
57.03435	1.2
57.07080	1.7
57.77014	0.9
62.30309	1.0
67.05508	8.5
68.05820	1.5
69.07070	13.8
71.05000	1.6
71.08620	1.6
73.78641	1.0
79.05489	1.7
81.07053	11.2
82.78748	0.9
83.08623	19.7
85.06539	1.4
86.06071	2.1
86.50438	1.0
93.07043	8.7
95.08592	5.7
95.41464	1.0
95.57497	0.9
97.06527	2.5
97.10160	1.4
100.07632	4.6
101.52174	1.0
107.08574	7.7
107.64486	1.0
109.10128	4.5
111.08096	5.1
114.09187	2.3
121.10144	5.8
123.11720	1.6
125.13303	1.3
128.10796	1.1
131.96463	0.9
135.11638	1.4
142.15964	1.3
149.13269	34.5
159.11710	5.2
166.15916	30.7
167.14294	11.1
175.72037	1.0
177.12703	1.8
184.16936	5.3
194.15302	2.2
195.13820	1.7
212.16443	100.0
213.14857	2.2
231.15927	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	230.175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17223	0.3
51.41051	0.3
52.30005	0.3
55.05513	1.6
56.05033	0.5
57.03449	6.7
57.07075	1.6
60.05641	1.9
67.05512	10.9
68.05829	0.6
69.03417	1.7
69.07076	3.5
70.06588	4.4
70.48067	0.3
71.04982	2.2
79.28282	0.4
81.07066	2.9
83.08615	3.3
84.04490	0.7
84.08136	0.6
85.06532	1.9
86.06072	68.0
87.04470	56.0
93.07057	0.5
96.08101	0.5
98.06055	12.8
102.05548	0.5
104.07105	2.1
104.91910	0.3
105.14901	0.3
107.08587	0.6
109.10162	24.9
109.81740	0.3
110.09751	0.4
110.10487	2.0
112.07615	1.5
116.07098	4.2
126.09135	3.1
126.12794	13.8
127.11192	0.9
138.09160	3.9
144.13834	19.7
148.12068	0.6
153.78625	0.4
154.04935	0.4
156.10225	2.4
166.15904	0.7
170.11729	2.0
184.16916	0.5
194.12810	1.5
194.15381	2.1
212.14059	3.3
212.16444	45.6
230.17497	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.8
56.05049	0.7
57.03450	0.3
59.18504	0.1
59.45848	0.1
64.16486	0.2
66.73917	0.2
67.05518	0.9
68.05846	0.2
69.07080	1.1
70.06563	1.5
71.07374	1.4
72.04510	0.2
72.08158	8.7
81.07082	0.3
82.06582	1.5
83.08616	0.6
84.08162	1.0
87.04460	0.2
93.07048	0.3
95.08618	1.7
95.53680	0.2
96.08125	0.4
97.08920	0.3
97.10168	0.3
98.06091	0.2
98.09680	0.2
100.11276	0.8
109.10174	0.2
110.09687	0.8
110.32056	0.2
118.08635	0.3
124.07576	0.3
124.11246	0.9
128.10736	0.4
129.11462	0.4
130.12292	0.2
153.98300	0.2
156.17491	2.6
164.14357	0.4
166.15900	12.7
170.11766	0.2
184.16965	100.0
194.12874	0.3
200.00267	0.2
212.13963	0.2
230.15231	0.4
230.17490	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	230.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05644	3.8
69.07072	39.2
69.79981	0.8
70.06596	100.0
71.04989	4.2
72.77480	0.8
85.06544	10.2
85.07669	0.9
95.32912	0.8
109.19134	0.8
112.08734	44.7
121.17873	0.8
130.09764	20.5
134.15494	0.8
138.12845	7.0
138.13725	1.2
144.11320	9.2
144.47488	0.9
171.37154	0.8
177.17889	0.9
180.14946	29.8
198.16000	33.9
212.17569	44.8
230.18643	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	230.2476
Annotation	Xestoaminol C
Peak:m/z	Relative Intensity
52.36237	0.5
54.08904	0.4
55.65174	0.4
57.07082	9.4
58.06605	1.2
58.73785	0.5
62.06096	8.8
71.08631	5.3
85.10181	2.4
86.23405	0.4
91.86509	0.6
108.19849	0.5
123.93958	0.6
137.47388	0.5
159.55278	0.5
187.37349	0.6
212.23749	8.7
230.24782	100.0
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	Xestoaminol C
Peak:m/z	Relative Intensity
54.07995	0.4
57.06824	0.6
57.07082	10.5
58.06606	1.3
62.06093	8.6
62.07133	0.5
71.08635	5.3
78.15858	0.5
85.10188	2.4
104.69736	0.5
123.21386	0.7
123.98022	0.6
130.92471	0.6
212.23706	7.6
224.54842	0.6
230.24783	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.2477
Annotation	Xestoaminol C
Peak:m/z	Relative Intensity
57.07082	12.3
58.06605	1.2
60.43701	0.5
62.06091	11.3
63.95628	0.5
66.23911	0.6
71.08622	4.1
85.10182	2.7
90.38366	0.7
94.45688	0.5
140.82977	0.6
192.36275	0.7
212.23712	9.3
230.24782	100.0
240.42824	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	230.2476
Annotation	Xestoaminol C
Peak:m/z	Relative Intensity
51.52777	0.5
57.06824	0.7
57.07079	12.0
58.06588	2.1
59.69396	0.5
62.06099	12.1
71.08637	7.2
85.10172	2.7
94.49877	0.5
108.86460	0.5
113.23262	0.5
180.43509	0.5
182.21103	0.5
212.23718	8.7
230.24776	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	11.6
55.01888	2.1
57.03436	4.4
61.02927	1.1
68.79421	1.0
68.99791	1.9
69.03435	100.0
69.07084	6.7
70.07401	1.0
71.05000	10.8
72.08161	16.3
73.02909	0.9
79.05498	1.1
81.03426	56.0
81.07053	1.7
83.08604	0.9
85.02911	67.5
86.09708	6.2
87.00324	1.8
87.00832	39.0
87.04440	1.4
88.03982	1.0
97.02896	84.5
99.04468	22.0
105.01888	8.8
105.06995	0.9
107.08577	1.4
109.02889	23.6
111.00848	1.1
112.24974	0.9
117.76932	1.0
127.03913	39.9
131.08591	1.1
134.04498	2.1
135.04843	1.2
135.11755	1.5
145.04945	5.1
152.07014	1.0
153.07428	6.3
154.28421	0.9
185.09929	1.0
213.03986	2.2
213.09410	1.5
231.04965	9.2
231.10420	2.0
231.17287	1.3
252.76314	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	231.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68316	0.3
55.05527	0.5
56.05043	1.8
57.03465	0.5
58.02968	4.0
59.88480	0.3
60.04534	0.6
69.03430	5.2
70.06590	0.8
72.08138	0.4
73.02897	0.7
81.64365	0.4
83.04980	0.6
84.04508	36.5
84.08157	1.8
85.02905	4.0
92.21404	0.4
94.02927	10.7
97.02898	0.8
99.04488	0.7
99.66100	0.4
100.03948	0.5
102.05559	0.8
110.02428	1.6
112.03958	3.2
112.83630	0.4
117.05510	0.6
126.05515	2.5
127.01429	0.7
127.03940	1.6
128.03448	0.8
129.02959	0.6
129.10254	0.9
137.03490	0.6
144.06561	100.0
146.04491	0.7
151.98747	0.5
155.04504	10.6
164.49643	0.4
165.96178	0.5
182.78351	0.4
185.02986	0.7
188.05534	4.6
199.03496	21.5
199.08974	0.5
203.06700	0.9
208.04613	0.5
231.06100	28.1
231.08186	1.9
231.11487	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	231.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99907	1.2
53.03960	2.0
55.01884	2.5
55.05284	1.5
55.05525	30.1
57.03444	11.2
67.05519	2.3
69.03436	21.8
69.07076	17.0
70.06593	9.0
71.04971	2.7
72.08161	90.8
81.03425	13.2
81.07095	2.4
83.08628	100.0
85.02915	11.9
86.09712	34.4
87.00832	6.7
87.08113	3.1
93.07042	5.6
94.71001	1.4
95.08602	6.4
97.02907	10.6
97.06536	2.8
98.97552	1.4
99.04461	1.8
109.02889	8.2
111.08089	41.1
121.06470	2.5
127.03908	10.0
129.09116	6.0
132.10197	1.9
135.11732	2.2
139.07530	7.4
144.06660	1.5
157.06317	1.2
157.08603	14.2
175.09688	40.9
181.24211	1.3
190.10828	2.1
191.95482	1.3
198.61246	2.8
199.11365	7.0
200.51459	1.4
213.11171	13.3
231.07758	1.9
231.12267	31.1
231.17169	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	231.1699
Annotation	Isoleucylvaline
Peak:m/z	Relative Intensity
53.03954	1.5
55.01886	1.6
55.05243	1.6
55.05519	35.9
57.03424	1.0
57.07080	26.5
67.05510	8.7
69.03429	14.3
69.07070	48.1
71.04997	2.4
71.08621	8.1
72.04517	8.1
72.08163	2.1
79.05520	4.3
81.03416	8.6
81.07069	9.4
83.08626	100.0
85.02910	7.0
86.06070	5.2
87.00821	5.1
93.07036	7.9
95.08074	1.3
95.08588	10.9
97.02879	2.6
97.06522	5.2
97.10171	39.1
100.07572	2.8
105.07037	2.5
107.08592	7.7
109.02888	2.6
109.10157	3.3
111.08057	2.3
119.08579	3.0
121.06488	1.2
121.10150	6.2
127.03903	7.8
128.10690	1.6
133.10112	2.6
135.11700	2.3
139.14810	1.7
145.10118	2.6
147.11685	1.6
149.13254	8.7
161.13219	1.9
171.11650	1.5
173.13263	2.2
175.11174	2.6
175.14758	1.7
213.16385	6.1
214.14412	16.8
224.43054	1.3
231.13745	2.5
231.17168	49.7
231.20847	10.7
232.15434	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	231.1704
Annotation	Ile Val
Peak:m/z	Relative Intensity
50.12990	0.2
52.08862	0.2
56.05045	0.2
57.05803	0.3
68.36566	0.2
69.07076	6.0
72.08163	2.1
86.09711	100.0
118.08669	2.1
129.25807	0.2
136.54594	0.2
185.16521	1.1
231.17038	4.4
253.50838	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	231.1702
Annotation	Isoleucylvaline
Peak:m/z	Relative Intensity
55.05523	8.6
57.05852	0.5
67.35786	0.3
72.08160	100.0
79.39499	0.4
84.21571	0.4
86.09714	62.1
97.95369	0.5
115.05428	0.4
117.62065	0.4
118.08634	0.8
126.09144	0.6
132.10205	6.0
163.96225	0.4
172.09567	0.6
179.51137	0.5
185.16498	3.2
213.16049	0.5
231.17047	7.6
248.15900	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	231.1703
Annotation	Val Leu
Peak:m/z	Relative Intensity
51.02637	0.2
51.13015	0.2
52.10806	0.2
55.05521	6.1
55.39475	0.2
57.05830	0.5
67.78787	0.3
72.08160	100.0
77.79587	0.2
86.09711	5.7
132.10205	4.1
141.27335	0.2
159.11401	0.2
185.16522	1.0
217.06619	0.3
231.17081	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	231.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41149	0.9
51.66412	1.0
53.83122	1.1
54.02986	1.1
55.05513	5.3
56.93552	1.1
57.07077	2.2
63.46823	1.1
67.05511	18.2
69.07059	8.8
73.33381	1.1
79.05497	14.7
81.07068	18.8
83.08614	6.6
91.05493	18.1
93.07051	25.5
95.08609	20.4
103.43428	1.2
105.07035	21.8
107.08585	12.3
109.10148	9.9
116.97198	1.8
119.08569	20.8
121.10156	13.6
123.11715	1.8
129.01315	1.3
131.08601	1.5
133.10133	28.3
135.11688	14.7
145.10146	1.7
147.11693	25.5
149.13277	13.6
149.63577	1.5
155.38899	1.3
157.20372	1.3
158.98283	2.4
161.13289	21.5
163.14835	2.1
166.98441	1.6
175.14850	14.5
189.16403	2.8
190.00050	1.5
190.11058	1.7
213.16766	2.3
219.14742	1.3
231.17345	7.2
231.21082	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	232.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05045	1.9
60.04536	23.3
60.05663	12.1
64.29324	0.9
70.02968	1.4
70.06596	9.2
72.08157	12.3
74.02443	1.9
74.06084	1.4
78.58878	0.9
82.04707	0.9
84.04532	1.3
84.08160	4.0
85.02895	1.4
85.08492	1.0
86.06072	1.5
86.09740	3.5
87.04485	2.3
87.05605	4.3
88.03994	5.2
98.03545	5.2
99.00826	1.1
101.01737	14.4
101.07166	1.8
102.05550	100.0
102.06664	6.0
104.07154	1.7
105.90250	1.1
110.07168	2.3
112.05123	4.4
113.02337	1.2
113.03535	1.9
113.96435	5.1
115.08724	1.2
116.03533	4.2
116.07133	1.8
127.08657	1.8
129.06609	2.1
129.10243	4.8
130.05049	1.2
130.08549	1.0
131.03477	2.5
131.97495	1.8
133.06137	1.5
140.04559	4.1
144.06691	1.2
144.07674	8.0
145.06096	22.3
146.03838	1.4
148.06061	25.8
152.07089	7.9
156.04814	1.2
156.06551	1.1
158.03838	1.1
158.05626	10.1
172.07187	9.8
173.09174	1.7
186.08771	1.6
190.08231	80.6
198.07558	1.2
198.99911	1.0
200.04916	1.6
200.06635	2.2
214.11934	1.2
227.50238	1.3
232.09352	68.4
232.13033	8.1
241.37808	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	232.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39660	0.3
53.77052	0.3
54.10748	0.3
60.04524	0.5
65.16125	0.3
67.05489	0.5
72.08167	3.6
73.08489	1.6
75.81915	0.4
79.05485	3.8
81.07074	0.4
84.05635	46.6
84.71194	0.4
85.02917	0.5
86.09702	0.7
87.10032	0.5
91.36437	0.4
93.06999	0.4
95.21629	0.4
96.05611	0.9
98.05991	0.4
98.97595	0.5
99.09145	0.4
103.05475	19.2
105.07031	1.9
107.04958	15.1
107.08551	0.4
107.32164	0.4
121.06492	0.8
125.50351	0.4
131.04929	17.1
141.05357	0.4
144.08127	0.5
147.04439	0.7
149.05963	0.8
171.09134	1.7
186.10245	5.4
196.13342	1.6
197.07065	0.6
214.09789	3.2
232.10802	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1542
Annotation	O-Butanoylcarnitine
Peak:m/z	Relative Intensity
51.51238	0.4
53.38596	0.5
55.05514	5.0
57.03457	0.7
57.07056	0.7
59.04993	1.2
67.05512	30.8
69.03443	1.1
69.07076	3.7
71.05000	14.8
71.05371	1.1
71.35691	0.5
71.81472	0.6
71.94349	0.6
72.08131	1.0
73.06562	0.9
79.05511	1.4
81.07062	65.8
83.08617	3.1
85.06548	28.1
88.06941	0.6
91.05478	9.1
93.07047	3.2
95.08631	1.4
97.02882	0.7
97.10174	1.4
99.04440	0.8
99.08113	0.8
105.07036	1.4
107.08585	4.4
109.10151	11.1
121.10130	0.7
123.11708	28.7
125.09661	0.6
130.06557	0.9
133.10136	24.6
151.11191	15.7
160.09552	1.2
166.87276	0.7
169.12228	26.2
178.13416	0.8
185.07086	0.7
186.07468	8.2
186.14897	43.8
187.13298	100.0
200.84494	0.7
214.17970	1.0
232.07886	4.1
232.15404	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	232.1543
Annotation	N(alpha)-t-Butoxycarbonyl-L-leucine
Peak:m/z	Relative Intensity
51.61181	0.9
55.01884	1.3
55.05522	1.8
56.05042	10.0
57.03427	5.5
57.07078	2.3
67.05508	19.6
69.03439	2.5
69.07070	19.7
70.06587	2.1
71.04985	1.3
71.08637	2.2
72.04516	1.8
72.08155	5.1
74.06088	1.9
76.69505	1.0
79.05503	2.4
81.07061	8.6
83.04984	2.4
83.08617	5.9
84.08961	1.6
85.02892	1.6
85.06528	1.8
86.06071	1.7
86.09708	3.0
87.10005	1.4
91.05487	18.6
93.07029	8.9
95.04964	2.1
95.08625	9.3
97.06522	8.2
98.97572	1.2
100.07613	7.6
102.05546	7.0
105.07058	10.5
107.08595	13.6
109.06493	1.4
109.10156	60.2
111.08115	2.9
111.11719	7.3
113.06012	2.1
114.09139	2.6
117.07047	2.1
119.01871	1.5
119.08554	11.1
123.11726	5.2
126.09142	1.2
128.07076	1.3
133.10129	100.0
135.11682	12.1
136.11142	1.6
137.09613	7.3
143.08568	7.7
148.06078	2.0
151.11185	53.1
153.12750	14.4
154.12260	66.3
155.10684	11.1
161.09602	32.8
168.13841	32.0
169.12169	1.7
170.15373	31.3
170.93156	1.3
170.99533	1.4
172.09682	4.7
172.13319	83.3
173.11739	18.5
179.10661	31.7
182.11794	1.6
186.14912	5.2
191.02292	1.3
196.13338	29.9
197.11662	4.3
214.14334	15.3
215.12778	16.8
232.15465	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	232.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97221	0.6
55.05508	1.6
56.05036	1.3
57.03431	0.7
59.53373	0.6
65.25887	0.7
67.05524	1.1
67.96616	0.9
69.04500	0.9
70.06598	0.7
71.08648	0.7
72.04500	1.1
72.08162	8.0
73.08471	3.2
76.05131	20.4
81.03426	1.0
83.04926	1.0
83.08615	4.3
84.04546	0.8
84.08128	0.7
86.06059	1.0
86.09689	1.3
87.09990	0.9
93.07029	0.8
95.08604	0.9
96.05643	1.0
97.06501	1.7
98.06065	0.9
110.07099	0.7
113.55907	0.7
128.10735	7.5
136.06171	2.9
139.11191	9.0
146.11868	0.9
149.07416	0.8
196.14494	1.2
209.03883	7.1
214.15524	27.7
227.05165	0.8
232.16557	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12082	0.2
52.13084	0.2
53.10189	0.2
55.05524	7.2
56.05050	0.5
56.05856	4.6
57.05826	0.6
61.04049	3.1
69.07047	0.3
70.06590	0.4
72.08160	100.0
73.07898	4.2
73.08491	53.6
76.05114	0.4
84.08143	1.6
85.02915	2.0
86.06076	0.6
86.09712	37.4
87.09505	1.1
87.10040	25.6
87.76543	0.3
88.16416	0.3
103.05013	0.4
114.05552	1.6
118.08607	0.6
127.09505	0.3
130.04999	1.4
132.10213	4.9
133.10571	5.6
153.33688	0.3
172.09726	0.3
173.10127	0.9
173.11481	0.3
180.06024	0.3
182.08008	0.3
185.16537	0.5
186.15140	0.6
186.16890	3.6
232.17392	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	232.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	6.6
57.03434	1.4
57.22393	0.7
67.05511	6.2
69.07072	13.5
70.06592	1.2
70.89140	0.8
71.05002	1.7
78.95750	0.7
79.05491	3.2
79.64635	0.8
81.06608	1.3
81.07063	24.2
83.08627	16.6
84.08947	1.9
85.06532	3.7
88.03986	1.3
91.05464	3.8
93.07029	4.2
95.07993	1.2
95.08614	29.2
97.06535	7.3
97.10170	7.6
99.08083	3.8
103.06156	0.8
105.07030	4.7
107.08585	1.0
109.06518	1.4
109.10188	3.0
111.08055	1.0
115.07568	1.1
119.08582	8.5
121.10172	1.8
123.08082	4.0
126.23806	0.8
133.10120	7.5
134.04497	1.1
135.11684	6.4
137.09576	1.1
137.13251	7.5
161.13235	24.9
161.88245	0.8
176.09990	1.3
178.15923	1.4
179.14273	10.0
186.07439	3.3
189.51317	0.8
196.17000	18.8
197.15353	3.8
214.18018	100.0
225.45265	0.8
227.39960	0.8
232.07909	1.1
232.16745	1.5
232.19069	47.3
247.91812	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	232.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	7.2
67.05505	6.8
69.07074	14.3
70.06596	1.6
71.04983	1.8
72.08164	1.0
79.05501	2.0
79.68597	1.1
81.07066	22.3
81.56765	1.0
83.08620	11.0
85.06541	2.5
93.07047	2.3
95.08612	29.2
97.06528	6.8
97.10168	5.2
98.79470	1.0
105.07027	4.6
107.08579	1.9
109.06483	1.0
109.10159	4.2
111.08121	1.2
112.11295	1.0
119.08572	9.6
121.10139	1.8
123.08049	4.2
127.07725	1.0
133.10132	7.0
135.11691	2.4
137.13264	6.7
149.13293	1.6
161.13248	23.2
163.36423	1.0
179.14323	9.8
196.16994	17.6
197.15338	4.9
197.53371	1.2
211.08475	0.9
214.18022	100.0
232.19077	42.7
232.21283	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	233.0421
Annotation	D-Arabinitol 1-phosphate
Peak:m/z	Relative Intensity
51.34195	58.1
53.30497	52.8
55.94810	66.0
64.21511	67.4
70.48354	60.4
92.35459	70.3
131.40794	79.9
132.94022	91.1
150.00958	74.7
186.89589	84.4
215.11409	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0422
Annotation	D-Arabinitol 1-phosphate
Peak:m/z	Relative Intensity
51.58293	18.7
72.08152	31.7
74.06086	100.0
75.29121	26.8
78.74553	21.5
86.09720	57.3
100.90631	23.8
132.07724	53.8
215.41321	26.4
233.04117	34.4
233.12451	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	233.113
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22670	0.4
52.22935	0.4
56.05046	3.2
60.54413	0.3
68.05018	1.8
72.04518	0.6
74.02448	1.7
74.06084	12.9
77.15639	0.4
81.07060	0.7
90.05593	0.5
91.05463	1.8
93.07034	0.5
95.08606	0.8
98.06055	37.8
102.05545	24.1
105.07039	2.1
116.07118	0.8
117.07031	0.5
119.08600	0.9
120.06580	8.9
121.06487	0.4
126.05495	1.7
129.06921	0.5
131.08575	0.8
133.10143	0.8
133.92331	0.5
144.06561	100.0
144.53731	0.4
149.43950	0.4
198.53413	0.5
215.14333	0.7
233.11552	0.4
233.15300	5.1
233.19043	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	233.117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28887	2.7
55.05519	3.8
67.05511	4.0
68.83674	3.0
71.04993	3.6
79.05487	7.3
81.07062	7.2
82.47400	2.9
83.04967	4.3
85.06575	4.1
91.05468	22.0
93.07035	20.1
95.04970	8.5
95.08606	6.4
99.04466	25.7
105.07039	32.3
107.04955	16.5
107.08603	6.4
109.10179	4.0
117.07027	8.5
119.04934	26.9
119.08593	14.4
119.44067	3.6
121.06512	18.5
129.06989	5.2
131.08557	16.6
133.06509	5.2
133.10120	20.6
137.05916	3.9
143.08591	13.3
145.06487	13.8
145.10127	91.0
147.08096	5.4
147.11664	4.2
151.03937	4.7
158.07275	5.1
159.08035	16.2
159.11693	57.1
163.07478	5.1
163.11174	52.0
169.10088	19.9
171.11755	5.8
173.06036	5.4
173.09628	96.5
173.13264	4.3
175.07573	4.6
187.07526	13.1
187.11179	100.0
187.14740	4.4
191.10765	6.1
205.08620	5.1
205.12256	14.7
215.07011	4.5
215.10654	49.9
215.14191	4.6
233.05986	4.6
233.08076	20.7
233.11612	45.0
233.15227	28.4
233.18889	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	233.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16426	0.4
54.23299	0.4
56.05027	2.2
56.26674	0.3
57.90934	0.4
58.04095	0.4
60.05656	4.5
60.73603	0.5
66.20100	0.5
68.05035	0.8
69.52919	0.4
72.01258	0.4
72.04507	1.8
72.08152	3.4
72.47122	0.5
74.02435	0.6
74.06067	2.0
76.05137	11.4
80.51648	0.4
85.02908	0.7
85.80902	0.5
86.03561	0.9
86.09226	0.7
86.09710	12.5
88.03995	9.2
96.05621	0.4
98.06057	20.2
100.07616	0.5
102.05563	3.6
112.05073	1.9
112.07566	0.7
114.06659	2.2
116.07102	4.2
117.06608	0.6
117.66512	0.5
118.08611	0.8
127.08620	0.8
127.82943	0.5
130.05014	0.9
130.08635	0.8
132.06660	1.4
132.07690	4.1
136.33183	0.5
144.06544	0.5
150.96960	0.6
158.08124	100.0
171.08733	0.6
174.08871	0.5
187.10674	0.6
191.08630	0.6
215.11212	1.6
233.12460	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	233.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49263	0.5
52.95635	0.5
54.55068	0.5
56.05049	0.6
60.04534	44.9
62.68729	0.5
70.02946	3.5
72.08169	0.6
74.06081	3.1
86.09709	100.0
87.05594	4.3
128.10727	2.8
136.42087	0.6
137.88599	0.5
146.11769	87.5
146.93787	0.7
150.96931	0.7
155.11790	2.5
157.14189	3.1
167.77403	0.6
169.14232	0.9
173.12852	30.9
187.15193	0.9
191.97070	0.7
201.12384	2.5
201.50865	0.6
215.13994	2.8
233.12617	1.0
233.14899	11.8
254.46455	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	3.6
67.05503	12.3
69.07056	10.4
79.05486	4.6
80.34065	2.0
81.07058	15.1
83.04974	2.5
83.08617	3.8
85.06542	3.2
91.05478	5.2
93.07039	14.4
95.08604	12.7
103.48660	2.2
105.07028	33.5
107.04922	3.0
107.08599	19.4
109.06508	3.1
109.10130	20.2
117.07024	5.0
119.04955	4.3
119.08569	24.4
121.06490	8.4
121.10140	9.7
131.08525	17.1
133.06491	5.7
133.10097	10.6
135.04385	10.5
135.08038	5.3
135.11703	9.6
145.10121	51.8
147.11682	27.8
149.05988	11.8
149.13222	8.6
157.10098	12.5
159.11658	16.6
163.07574	3.1
163.14877	4.3
173.09584	31.6
173.13297	9.2
174.10355	9.2
175.11162	38.3
187.14749	21.0
191.10716	3.6
193.80983	2.2
200.11899	2.5
205.15854	3.1
215.14366	19.9
215.17894	5.3
218.10919	3.8
233.13142	14.6
233.15321	100.0
233.19032	11.5
233.22548	4.5
233.33321	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	233.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21183	3.2
55.05514	6.9
57.07081	4.1
59.68660	2.6
60.10023	2.5
67.05508	63.4
67.16586	2.7
69.07066	12.7
79.01531	2.8
79.05498	32.4
81.07065	72.8
81.37556	2.8
83.08621	14.4
93.07053	41.6
95.08604	63.0
97.10159	5.0
98.38700	3.0
107.08581	34.3
109.10168	22.8
119.08646	4.3
121.10144	93.1
123.11703	3.3
135.11705	72.5
137.13278	6.8
149.13275	24.0
151.14830	6.7
163.14798	3.6
177.16312	3.0
178.84116	2.9
233.13293	9.9
233.15349	26.9
233.19032	7.0
233.22629	100.0
239.90936	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	233.2262
Annotation	Aplotaxene
Peak:m/z	Relative Intensity
55.05513	6.4
57.07074	2.0
67.05508	56.3
69.07082	12.3
71.08616	1.9
78.58592	1.2
79.05495	26.7
81.07063	55.9
81.93449	1.2
83.08621	9.0
90.71720	1.2
91.05510	3.9
93.07040	50.2
93.11731	1.2
93.14115	1.0
95.04965	1.5
95.08609	49.6
97.10169	5.1
100.61363	1.0
107.07903	2.2
107.08598	33.5
109.10152	14.0
110.98449	1.1
121.10140	100.0
123.11706	6.3
124.08727	1.3
135.11696	83.6
137.13255	8.5
149.13242	27.9
151.14801	11.1
163.14787	5.2
165.16409	2.1
177.16388	4.7
191.17955	5.1
233.22632	95.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42035	0.5
55.05515	4.4
57.03427	0.9
59.05000	3.2
64.65438	0.9
69.01749	0.7
69.07065	4.3
70.02952	1.8
71.08634	4.6
72.04524	10.5
72.08144	3.4
73.02924	1.2
73.08495	4.5
74.06085	1.0
79.05502	1.2
81.07071	12.0
83.08630	5.4
84.08163	1.2
86.09706	1.2
87.10020	0.8
90.05558	100.0
97.02878	3.3
98.02428	14.8
99.08096	12.8
101.09654	1.1
109.06531	23.1
110.09675	1.3
116.03449	12.6
117.09094	1.3
127.07544	1.2
138.09143	21.3
139.01863	1.5
144.02441	1.1
156.10202	5.8
156.86876	0.8
162.03458	1.7
164.94504	0.9
170.10052	3.0
170.11790	1.1
180.10213	2.9
188.12822	0.9
198.11263	27.1
210.96922	1.5
216.06537	1.3
216.12292	20.4
234.07475	1.2
234.09673	1.1
234.11183	1.8
234.13292	29.7
234.15338	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	234.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03176	0.2
50.07963	0.3
55.05538	0.3
55.67951	0.3
56.05066	0.3
57.03456	1.6
69.07088	1.5
79.05515	0.3
79.08202	0.3
81.07051	4.5
86.78444	0.3
87.04456	1.2
88.03979	2.3
91.05472	4.5
95.09040	0.3
105.03394	1.3
136.06186	100.0
139.01855	0.5
144.02327	0.7
148.11209	4.3
162.03395	0.7
170.09865	0.4
190.10870	2.3
234.13396	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	234.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82562	0.4
57.03449	0.7
63.05781	0.3
69.07076	1.6
73.89993	0.4
74.06065	0.5
79.05527	0.3
80.12488	0.4
81.07066	4.9
81.65963	0.3
86.09727	0.7
87.10046	0.5
89.54005	0.4
105.07043	0.8
119.03570	0.7
121.00785	0.4
134.67592	0.4
136.06195	100.0
144.02414	0.4
147.12096	0.8
161.50049	0.4
162.03427	0.7
170.09891	0.6
190.10880	2.1
198.15009	0.6
206.08138	2.8
216.15897	0.8
234.07500	1.6
234.13472	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	234.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57100	0.3
55.05523	0.5
57.03445	1.3
58.06600	0.7
62.06100	0.4
69.07069	1.8
74.06086	0.3
78.43376	0.3
81.07059	3.7
81.09368	0.3
86.06100	1.0
86.09710	0.4
92.33333	0.3
104.07069	0.4
120.08101	2.0
121.00781	0.4
129.11896	0.3
130.62404	0.3
136.06190	100.0
139.01802	1.2
144.02356	0.4
162.03424	0.8
170.10008	0.4
190.10881	2.6
206.08105	0.8
234.13486	67.5
246.08090	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	234.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	8.1
57.07075	3.1
57.22958	1.0
58.06590	6.2
59.42884	1.0
60.04508	1.1
65.48168	1.0
70.10178	1.1
71.08616	5.0
73.00863	1.1
74.06078	11.1
75.54325	1.2
86.06062	1.3
88.07629	11.7
118.08651	5.0
122.08139	9.8
137.91180	1.2
161.67641	1.2
186.18526	66.1
234.20631	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31276	0.7
51.50644	0.7
56.05037	6.3
56.93998	0.7
57.07071	5.1
58.06592	4.8
60.04510	0.8
60.24413	0.7
71.08622	3.6
74.06076	12.3
78.47050	0.8
88.07640	10.6
118.08636	4.8
122.08148	10.4
186.18535	61.4
216.19598	1.1
234.20622	100.0
239.09364	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	234.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22977	0.7
56.05051	9.9
56.58046	0.9
57.07073	4.1
58.06598	7.5
60.04525	1.2
69.07020	0.8
71.08616	5.6
74.06084	10.7
86.06039	0.8
88.07619	10.9
118.08652	5.1
122.08137	8.1
186.18523	64.9
216.19519	3.7
234.20622	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51357	0.8
55.87801	0.8
56.05043	7.3
57.07072	5.5
58.06611	7.1
60.04534	1.5
63.95094	0.7
66.82626	0.7
71.08627	3.2
74.06082	11.7
79.82080	0.7
88.07631	10.2
90.15308	0.7
108.17946	0.7
118.08663	4.6
122.08161	10.8
155.33006	0.8
186.18529	63.8
189.11018	0.8
192.17445	1.8
216.19659	1.3
234.18623	6.2
234.20642	100.0
245.94922	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	234.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15363	0.7
55.01838	0.8
56.05047	8.6
57.07079	4.7
57.24104	0.8
58.06607	6.5
60.04523	1.5
62.61742	0.8
71.08641	2.2
74.06082	10.6
77.22209	0.8
88.07622	10.4
92.21520	2.0
118.08681	4.9
122.08160	9.8
137.92291	0.9
152.95343	1.1
159.27444	0.9
184.70399	0.9
186.18541	66.4
234.20645	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	234.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04822	0.5
56.05046	7.8
57.07071	4.9
58.06614	6.2
60.04523	1.5
64.68549	0.7
65.36923	0.7
69.07083	0.9
71.08621	4.9
74.06078	11.1
77.63027	0.7
78.63312	0.6
80.41054	0.7
86.06046	0.9
87.98715	0.7
88.07639	9.8
115.72726	0.7
118.08637	3.0
118.83723	0.7
122.08133	8.9
180.34529	0.8
186.18535	60.0
202.64140	0.7
216.19629	3.3
223.47441	0.7
234.20631	100.0
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	Unknow
Peak:m/z	Relative Intensity
55.05523	11.6
55.05768	1.8
67.05507	20.4
69.07076	12.7
69.99884	1.4
74.65441	1.5
79.05497	55.7
79.30785	1.4
80.46105	1.4
81.07063	40.3
82.31019	1.5
83.04977	1.7
83.08618	3.9
84.10121	1.7
85.06569	6.8
91.05487	29.3
93.07044	100.0
93.07643	3.2
95.04980	6.9
95.08601	30.8
95.22427	1.7
97.06534	2.8
105.04547	2.2
105.07037	26.8
107.08598	75.0
109.06509	6.6
109.10184	6.1
117.07021	3.3
118.46575	1.7
119.08588	43.6
121.06492	1.7
121.10138	42.1
123.08054	6.7
123.11766	1.8
129.07019	3.1
131.08557	3.8
133.10115	19.3
135.08116	2.7
135.11703	9.3
143.08571	14.1
145.10153	2.6
147.11688	3.9
148.37749	1.5
148.92323	1.7
157.10095	7.5
159.11679	7.4
161.09671	2.4
161.13252	46.2
171.11707	2.4
175.11157	3.8
175.14851	16.0
177.25076	1.8
179.10785	2.1
185.13240	21.9
189.12721	1.8
189.16399	3.5
191.60233	1.6
199.14891	6.5
203.14301	18.3
217.15884	2.6
234.99323	1.6
235.16876	52.4
235.20441	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	235.1692
Annotation	Confertifoline
Peak:m/z	Relative Intensity
52.20265	0.3
55.05502	0.7
57.07083	22.4
59.05027	0.3
64.34064	0.3
66.14056	0.3
67.05500	2.6
69.07056	2.0
79.05502	5.5
81.07069	4.5
82.36716	0.4
83.08630	0.6
91.05482	3.2
93.07045	8.5
95.08615	3.6
105.07017	3.1
107.08598	7.6
109.10133	0.7
110.51472	0.4
117.06992	1.3
119.08595	4.4
121.10161	5.2
123.04420	0.9
123.08035	0.6
131.08586	0.7
133.10132	1.6
135.08034	0.5
135.11696	0.9
143.08572	0.8
147.11673	0.5
148.93240	0.4
157.10165	0.5
159.11772	0.5
161.13248	3.4
175.11014	0.4
175.14799	0.7
179.10674	29.2
185.13242	3.2
199.14864	0.7
203.14308	1.8
219.13797	0.5
222.91945	0.5
235.16925	100.0
237.67609	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	235.1692
Annotation	Confertifoline
Peak:m/z	Relative Intensity
54.78758	1.8
55.01876	2.4
55.05511	11.3
55.35379	1.5
56.84482	1.9
57.03422	1.7
67.05502	11.0
69.07057	7.7
79.05498	44.2
81.06627	3.0
81.07068	71.2
82.79843	1.8
83.04961	2.6
83.08645	4.5
91.05498	13.5
93.07042	33.2
95.04995	2.6
95.08615	28.6
102.94878	1.7
105.07014	13.5
107.07914	3.3
107.08605	58.0
109.06525	53.1
109.10154	11.2
119.08578	24.1
121.06535	1.9
121.10158	30.8
123.08060	11.6
126.29253	2.0
129.06987	2.9
133.10159	18.7
135.08070	4.5
135.11717	7.3
137.09665	4.6
145.10083	2.7
147.11673	3.9
148.90439	2.5
157.10133	3.9
171.75067	2.2
173.13219	3.3
175.11224	2.7
175.14844	4.2
180.68633	2.2
184.36609	2.2
189.12834	2.2
189.16338	7.6
199.14812	8.3
217.15849	7.1
235.16905	100.0
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	Lidocaine
Peak:m/z	Relative Intensity
51.64409	0.2
51.88142	0.3
56.86106	0.3
58.06606	1.9
67.26882	0.3
68.72726	0.3
70.24493	0.3
79.64140	0.3
82.52738	0.3
86.09708	100.0
94.56056	0.3
134.87279	0.3
135.46178	0.4
168.49336	0.4
235.18025	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	235.1803
Annotation	Lidocaine
Peak:m/z	Relative Intensity
50.51004	0.4
57.11816	0.3
58.06604	2.8
86.09708	100.0
97.10168	0.5
132.73262	0.4
235.18037	20.9
235.20370	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	235.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	10.3
55.05748	1.5
55.71085	1.5
57.07074	15.8
67.05180	2.9
67.05505	53.2
69.03451	1.9
69.07078	17.3
71.08614	7.5
76.65173	1.8
79.05501	21.4
81.07059	88.5
83.04936	1.9
83.08617	11.9
85.06530	9.7
85.10147	2.6
86.09689	2.3
91.05477	19.6
92.21386	1.9
93.07041	37.6
93.07567	2.9
95.04932	3.0
95.08604	83.5
97.06512	3.3
97.10143	7.1
99.08083	10.2
105.07041	21.8
107.08611	21.1
109.06487	2.3
109.10152	48.1
111.08041	4.0
113.09628	3.6
119.08575	22.2
121.10131	34.1
123.08044	2.9
123.11701	17.0
125.09573	2.0
125.77520	1.8
129.06970	2.7
133.10121	36.1
135.11684	27.7
137.09583	6.8
137.13255	15.7
147.11679	22.9
149.13248	10.2
151.11217	3.0
151.14798	10.8
153.12674	2.7
157.10019	2.2
161.13271	18.7
163.14774	2.5
175.14790	9.8
180.74336	1.6
185.15688	1.7
189.16374	2.4
191.17902	6.9
192.09288	2.3
193.10156	3.8
207.11450	2.2
217.15878	3.5
217.19498	54.4
220.12421	9.7
235.14763	21.5
235.16704	23.9
235.20529	100.0
235.22806	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	236.095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64850	0.6
55.01693	0.4
55.01889	7.1
55.05528	0.7
58.99574	1.2
65.70613	0.5
69.07072	100.0
73.02901	1.0
73.06558	17.6
74.06866	0.6
76.02245	2.3
81.03425	0.6
85.02927	0.6
86.09747	0.7
86.99054	1.0
87.02689	18.5
95.99210	0.6
97.02885	0.8
97.06530	37.7
101.04248	4.3
103.81300	0.6
105.00092	3.7
115.07572	39.8
124.27291	0.6
127.05761	0.8
129.03691	8.4
190.08929	3.2
200.07091	0.7
218.08417	2.7
219.06854	40.0
236.09479	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	236.1125
Annotation	CHEBI:133389
Peak:m/z	Relative Intensity
57.03450	0.8
58.06601	0.7
59.41629	0.8
59.82464	0.7
60.05656	19.0
60.08178	1.0
61.01142	0.9
69.03401	1.5
70.06590	0.9
72.04511	5.2
73.02942	0.9
76.05119	0.9
81.03416	3.8
84.04482	0.8
85.02871	3.0
86.05599	1.2
86.06067	21.6
87.04463	30.3
96.04482	1.1
97.02889	26.0
98.06047	21.6
104.07102	4.3
104.43169	0.8
110.05992	1.2
114.05553	10.5
116.07068	4.6
118.06221	0.8
128.07071	9.0
132.06555	5.0
136.07570	3.4
140.07065	4.5
150.59943	0.8
154.08669	1.4
164.07047	11.2
176.84885	0.9
182.08105	30.5
198.41718	0.8
200.09128	32.4
213.00194	1.0
213.88094	0.7
218.10219	100.0
236.09117	1.9
236.11227	18.4
236.14801	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	236.1125
Annotation	CHEBI:133389
Peak:m/z	Relative Intensity
57.03450	0.8
58.06601	0.7
59.41629	0.8
59.82464	0.7
60.05656	19.0
60.08178	1.0
61.01142	0.9
69.03401	1.5
70.06590	0.9
72.04511	5.2
73.02942	0.9
76.05119	0.9
81.03416	3.8
84.04482	0.8
85.02871	3.0
86.05599	1.2
86.06067	21.6
87.04463	30.3
96.04482	1.1
97.02889	26.0
98.06047	21.6
104.07102	4.3
104.43169	0.8
110.05992	1.2
114.05553	10.5
116.07068	4.6
118.06221	0.8
128.07071	9.0
132.06555	5.0
136.07570	3.4
140.07065	4.5
150.59943	0.8
154.08669	1.4
164.07047	11.2
176.84885	0.9
182.08105	30.5
198.41718	0.8
200.09128	32.4
213.00194	1.0
213.88094	0.7
218.10219	100.0
236.09117	1.9
236.11227	18.4
236.14801	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	236.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95582	1.6
60.05657	100.0
60.18850	1.9
70.86610	1.6
74.62272	1.7
84.91183	3.8
86.06056	3.3
90.82212	2.1
98.49076	1.9
172.19441	2.1
182.08115	2.5
200.09267	3.1
218.10226	13.7
235.98283	8.5
236.14842	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	237.0869
Annotation	N-Formyl-D-kynurenine
Peak:m/z	Relative Intensity
51.23242	0.2
54.80675	0.2
56.05045	0.3
58.09536	0.2
60.04524	1.1
67.34628	0.2
69.03436	0.3
70.06593	0.3
71.01358	2.5
74.02445	5.5
75.04478	0.3
81.03428	1.1
84.08145	1.3
84.71418	0.2
85.02930	0.3
86.09699	0.4
98.97578	0.3
103.03963	1.5
104.05350	0.3
107.49632	0.2
109.02885	1.4
114.22852	0.2
117.01862	0.3
118.06508	0.3
128.04973	0.4
129.10260	0.2
130.05026	0.4
130.06487	0.2
131.03407	2.2
132.04497	0.4
141.01772	0.3
143.08253	0.3
145.04976	0.3
146.06013	100.0
148.03926	0.4
150.05858	1.0
154.96223	0.3
157.05023	0.4
157.07591	0.3
158.06007	0.3
159.02913	3.5
166.05345	0.4
172.97336	0.3
173.07060	0.3
173.09221	0.8
191.08125	0.3
195.98875	0.4
206.27155	0.3
219.05185	0.3
219.07652	1.0
228.40353	0.2
237.08739	3.9
244.96368	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	237.0868
Annotation	N-Formyl-D-kynurenine
Peak:m/z	Relative Intensity
51.33191	0.7
57.67430	0.7
66.74108	0.8
71.61713	0.8
74.02445	9.2
91.05483	0.9
94.06567	42.7
99.00819	12.2
104.04988	5.1
118.06536	26.7
120.04459	17.3
122.06004	1.6
130.06569	1.0
132.04471	7.4
136.07582	89.1
146.06006	100.0
148.03966	4.2
150.05510	24.8
157.07585	5.9
163.08653	3.4
164.07054	14.2
168.10001	0.9
174.05496	69.0
191.08270	3.1
191.30339	1.0
192.06544	50.7
202.05006	22.2
203.08107	2.1
212.59129	0.9
220.06065	18.6
223.96654	1.0
233.10187	0.8
237.08789	7.4
237.12305	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	237.1234
Annotation	Phe Ala
Peak:m/z	Relative Intensity
51.76154	0.1
55.24847	0.1
56.53697	0.1
68.37893	0.2
74.83531	0.1
78.45031	0.1
80.36925	0.1
87.70459	0.1
90.05576	0.2
91.05507	0.2
93.07063	0.4
95.04958	0.2
101.62319	0.2
103.05466	1.8
106.14770	0.2
111.71577	0.1
114.25670	0.2
114.82668	0.2
117.97678	0.1
118.34487	0.1
118.64704	0.1
120.08106	100.0
126.81805	0.2
207.15562	0.1
220.15099	0.2
237.12285	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	237.1232
Annotation	ALANYL-dl-PHENYLALANINE
Peak:m/z	Relative Intensity
52.44216	0.4
54.35889	0.4
58.84837	0.4
73.02914	2.1
89.03941	0.7
91.05508	0.6
103.05475	0.9
103.22263	0.5
120.08112	100.0
124.83100	0.5
125.13136	0.5
131.04948	2.8
139.38120	0.5
146.06007	9.5
149.05969	3.7
157.07530	0.7
166.08636	74.8
191.08255	0.5
191.11815	4.1
203.08159	0.7
233.11891	0.5
237.12318	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	237.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08176	0.1
50.19872	0.1
50.89213	0.1
51.36791	0.1
52.87177	0.1
55.05504	0.1
55.71843	0.1
56.05039	0.2
57.03440	0.1
63.08033	0.1
63.65501	0.1
67.05505	0.1
69.03414	0.1
69.07058	0.1
72.08154	0.2
80.29385	0.1
81.07042	0.1
83.08638	0.1
85.02897	0.2
90.05545	0.9
91.05462	0.2
93.07028	1.0
95.04939	0.2
95.08624	0.1
97.02980	0.1
99.05577	0.1
103.05479	2.4
107.04970	0.1
108.74619	0.1
109.06553	0.2
109.10159	0.1
116.08969	0.1
120.08102	100.0
121.06471	0.4
121.10138	0.1
131.04884	0.1
132.08070	0.1
135.08086	0.1
149.02316	0.2
159.11815	0.1
166.08574	0.2
201.12766	0.1
219.13727	0.2
220.09702	0.2
235.17654	0.1
237.08936	0.1
237.12383	2.5
237.14671	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	237.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.3
57.03427	3.6
57.07079	0.7
58.45646	0.7
59.37069	0.6
59.48323	0.7
61.02929	8.6
69.03436	14.6
71.04987	3.1
72.53333	0.7
73.02924	4.3
81.03426	5.9
85.02908	100.0
87.04489	3.5
91.03968	6.1
97.02888	17.8
99.04438	6.0
101.02394	0.9
103.03940	1.1
106.21951	0.8
109.02875	8.5
115.03950	0.9
117.05463	0.8
120.08100	23.2
121.10132	0.9
123.08117	1.0
127.03919	20.3
131.07753	0.8
135.08005	1.0
145.04962	21.0
163.06023	1.4
166.08623	10.8
237.08929	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	237.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40459	0.2
53.03954	1.3
53.25050	0.2
55.01888	2.5
57.03446	4.9
57.07072	1.9
61.02638	0.5
61.02935	9.9
65.54458	0.3
67.23203	0.3
68.21637	0.2
69.03436	18.0
69.07039	0.3
71.01343	0.4
71.04996	2.3
73.02918	4.0
79.05493	0.4
81.03431	5.6
85.02910	100.0
87.04475	3.1
87.09315	0.3
91.03957	5.5
97.02894	21.9
99.04456	4.5
101.02409	0.5
103.03937	0.5
109.02879	8.1
109.06564	0.3
115.03937	1.7
120.08097	3.7
121.06487	0.3
127.03913	19.2
131.04945	1.4
135.07983	0.3
136.07657	0.3
137.09732	0.3
138.03455	0.4
143.01851	0.5
145.04965	15.3
145.06071	0.5
148.05196	1.4
158.61078	0.3
162.06706	0.4
163.06070	1.8
163.07591	1.3
166.08664	1.1
185.02960	0.7
196.07707	0.6
196.09528	0.4
203.04010	1.7
205.08229	2.0
215.03972	0.6
219.13837	0.3
232.10152	0.3
233.05112	0.3
237.12517	0.4
237.14876	1.2
254.51701	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	237.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
55.01879	1.5
56.05090	0.3
57.03439	4.6
57.07075	1.8
61.02936	9.4
65.03933	0.3
67.05508	0.4
69.03432	16.8
69.07062	1.7
70.06582	0.4
70.07411	0.7
71.04985	2.1
73.02925	4.5
78.61455	0.4
81.03429	5.0
83.01357	0.4
85.02908	100.0
87.04462	3.5
91.03963	4.9
91.51351	0.3
92.05006	0.5
95.06094	1.4
95.08614	0.4
97.02896	17.4
98.06835	0.4
99.04458	5.4
100.05106	6.7
101.02394	0.4
103.03935	0.9
109.02873	9.0
109.03566	0.6
109.35393	0.3
112.05117	3.3
115.03989	0.4
120.04464	0.9
120.08112	6.7
121.06493	0.6
127.03913	20.1
134.07146	7.0
135.05550	1.9
138.05495	0.5
138.09180	5.2
145.03836	0.6
145.04964	16.2
146.06050	0.6
162.06630	7.3
163.04898	0.6
163.06102	0.7
166.08650	2.4
173.03130	0.5
178.08553	0.7
179.06889	1.7
180.07643	1.4
194.09189	3.2
195.07689	2.2
196.07137	0.4
205.07234	2.8
220.07214	0.8
237.09769	1.4
237.12109	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	237.1483
Annotation	4-Heptyloxybenzoic acid
Peak:m/z	Relative Intensity
52.74159	0.5
55.01874	1.0
55.05495	3.0
59.91200	0.6
67.05513	7.3
69.07049	3.3
75.84660	0.5
79.05483	3.2
81.03419	5.6
81.06696	0.6
81.07063	11.2
83.04967	0.8
83.08596	3.4
89.57928	0.6
91.00342	0.6
91.05450	1.5
91.47281	0.5
93.07011	4.2
95.04959	10.2
95.08073	0.8
95.08610	13.6
97.06511	1.2
97.10123	0.9
105.07023	1.4
107.04951	5.6
107.08554	2.6
109.06530	6.9
109.10155	4.4
117.06963	1.4
119.08585	0.6
121.06527	1.0
121.10133	2.6
123.08015	2.5
123.11742	1.0
131.08545	2.8
131.96100	0.8
133.10112	0.7
135.11661	2.7
141.09187	0.6
145.10115	1.3
149.09625	1.0
149.97223	1.1
154.97690	1.1
159.11659	1.2
169.10153	0.8
170.35196	0.8
172.98721	0.8
177.12685	0.9
181.10143	0.8
187.11128	1.1
195.11690	1.4
205.12244	3.2
219.13673	1.1
222.13884	0.8
237.14769	100.0
242.95816	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	237.1847
Annotation	Sirenin
Peak:m/z	Relative Intensity
51.47868	0.7
53.03945	0.9
54.13137	0.6
55.05520	5.2
58.29160	0.8
60.87959	0.7
65.03941	1.1
67.05512	42.0
67.73438	0.7
69.07056	3.4
77.17034	0.9
79.05502	9.7
81.03419	0.8
81.07066	82.3
83.08624	3.8
91.05488	1.9
93.07061	9.4
95.04978	3.8
95.08611	100.0
97.10194	1.3
105.07063	3.4
107.08595	9.6
109.06508	3.4
109.09439	1.8
109.10165	41.8
117.07034	1.1
119.08579	3.4
121.10135	11.5
123.08076	1.3
123.11715	6.8
131.08554	5.0
133.10098	3.4
135.11722	6.7
137.09654	0.9
145.10127	5.7
149.09584	1.7
154.97673	1.0
159.11739	1.6
161.13271	1.4
163.11169	2.0
163.14876	1.3
169.57111	0.8
176.09547	1.3
177.16351	1.5
181.12262	1.6
183.75540	0.8
185.10130	1.0
187.14850	4.0
195.11777	0.9
195.13779	1.0
196.40662	0.9
201.16394	3.9
205.12404	1.8
205.15753	1.9
219.17427	1.3
227.24307	0.9
237.14752	23.5
237.18457	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	237.2211
Annotation	Bombykal
Peak:m/z	Relative Intensity
53.41837	2.7
55.05519	35.2
55.84946	3.0
57.03443	3.2
57.07074	17.9
65.81940	2.6
67.05515	25.2
69.07071	72.4
71.05003	3.7
71.08631	5.6
79.05483	10.8
80.55435	2.7
81.07054	41.1
82.92029	2.5
83.08622	86.0
85.06602	3.5
93.07047	24.7
95.08617	36.1
97.06521	12.5
97.10168	46.4
97.26384	3.3
107.08609	21.5
109.10141	24.1
111.08072	14.5
111.11719	12.1
121.10144	24.5
123.11693	13.1
124.93455	2.7
125.09589	4.5
128.55440	3.1
131.96159	16.5
135.11696	38.6
137.13301	5.0
139.11177	5.6
149.13257	13.8
149.97217	17.5
154.97789	6.1
163.14793	5.9
172.98842	13.4
177.16347	4.1
219.21056	43.3
237.12773	3.6
237.22113	100.0
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
55.05523	45.0
57.03434	3.7
57.07083	25.0
57.10550	2.1
58.08582	2.1
61.55917	2.0
67.05515	35.9
69.07072	77.9
71.08630	4.7
74.30515	2.0
76.11490	2.2
76.50193	2.3
77.47998	2.2
79.05479	11.8
81.07066	59.0
83.08626	91.3
85.06544	5.4
85.10181	2.7
91.05511	2.3
93.07054	27.9
95.04961	3.0
95.08611	45.8
97.06539	10.9
97.10168	54.2
99.08109	3.2
107.08608	30.4
109.10194	22.1
109.10896	2.4
111.08086	12.7
111.11758	5.3
113.09609	3.3
121.10143	46.6
123.11735	17.6
125.09593	3.4
127.11155	3.1
131.96182	11.9
135.11714	39.2
137.13266	10.6
139.11200	5.1
148.46370	2.4
149.01245	2.8
149.13246	21.7
149.97253	10.6
154.97765	11.0
163.14812	5.4
172.98756	8.7
219.21123	52.1
237.14815	22.7
237.18546	3.3
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	238.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
53.28743	1.1
54.41031	1.2
55.01878	3.2
55.05522	51.9
56.05045	1.2
57.03442	5.0
58.05338	1.0
60.04527	1.3
65.48028	1.1
69.03460	1.3
69.07056	5.6
69.72816	1.2
70.06592	6.2
70.95876	2.2
72.08154	3.0
72.93791	1.5
73.02917	6.0
74.00671	12.6
79.05527	1.4
81.07062	58.3
83.08626	37.8
84.04490	1.4
84.08138	10.7
85.43214	1.3
85.73877	1.1
86.09706	5.9
87.04459	3.0
88.03996	100.0
92.01702	10.2
96.05573	2.0
99.08091	28.9
99.18761	1.2
101.02380	8.1
102.98549	3.2
110.03072	1.1
110.07107	1.2
111.98465	15.5
115.05795	7.3
118.06557	2.7
120.01167	34.8
120.99564	79.8
122.02695	3.1
125.77487	1.2
126.05553	1.6
126.90906	1.4
129.10243	13.3
129.69316	1.3
129.99512	2.1
132.95845	16.9
133.06871	1.9
136.06143	1.4
137.06001	2.0
138.02194	65.1
140.83093	1.3
146.05983	4.9
146.09668	6.7
147.04401	1.7
147.06313	5.8
150.96886	19.1
152.07059	2.9
154.04964	7.2
155.97430	34.4
161.04457	2.3
164.07031	12.3
173.98495	31.2
178.08656	6.0
187.59882	1.3
189.04053	2.8
192.10233	8.7
203.07423	7.5
206.04625	1.3
207.35281	1.3
208.10709	1.8
220.09970	2.9
238.11084	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	238.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
53.28743	1.1
54.41031	1.2
55.01878	3.2
55.05522	51.9
56.05045	1.2
57.03442	5.0
58.05338	1.0
60.04527	1.3
65.48028	1.1
69.03460	1.3
69.07056	5.6
69.72816	1.2
70.06592	6.2
70.95876	2.2
72.08154	3.0
72.93791	1.5
73.02917	6.0
74.00671	12.6
79.05527	1.4
81.07062	58.3
83.08626	37.8
84.04490	1.4
84.08138	10.7
85.43214	1.3
85.73877	1.1
86.09706	5.9
87.04459	3.0
88.03996	100.0
92.01702	10.2
96.05573	2.0
99.08091	28.9
99.18761	1.2
101.02380	8.1
102.98549	3.2
110.03072	1.1
110.07107	1.2
111.98465	15.5
115.05795	7.3
118.06557	2.7
120.01167	34.8
120.99564	79.8
122.02695	3.1
125.77487	1.2
126.05553	1.6
126.90906	1.4
129.10243	13.3
129.69316	1.3
129.99512	2.1
132.95845	16.9
133.06871	1.9
136.06143	1.4
137.06001	2.0
138.02194	65.1
140.83093	1.3
146.05983	4.9
146.09668	6.7
147.04401	1.7
147.06313	5.8
150.96886	19.1
152.07059	2.9
154.04964	7.2
155.97430	34.4
161.04457	2.3
164.07031	12.3
173.98495	31.2
178.08656	6.0
187.59882	1.3
189.04053	2.8
192.10233	8.7
203.07423	7.5
206.04625	1.3
207.35281	1.3
208.10709	1.8
220.09970	2.9
238.11084	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	238.18
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.8
56.09233	0.3
57.03438	2.0
62.47621	0.3
63.58238	0.3
67.05501	4.0
69.07074	0.7
79.05483	1.5
81.07066	5.4
82.06570	0.5
83.08638	0.4
89.24201	0.3
91.05492	0.9
92.21143	0.7
93.07037	3.1
95.08603	2.0
96.08121	0.5
97.06512	0.4
98.06059	1.7
98.09715	0.4
105.07002	1.5
107.08609	0.7
111.98485	0.7
117.07035	1.7
119.08580	0.6
119.39439	0.4
121.10155	0.8
131.08585	2.0
132.95831	1.4
133.10115	0.5
134.09616	0.5
135.11658	0.5
138.12776	1.4
138.79294	0.4
148.11195	2.1
149.13240	0.4
150.96918	0.5
155.97372	1.5
159.11717	2.3
171.99231	0.3
173.98489	0.6
174.12753	1.5
176.14305	2.7
182.15303	0.4
210.18521	2.3
220.16907	0.5
238.18010	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	238.18
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.9
57.03425	2.3
57.07072	0.5
59.01311	0.4
60.26351	0.3
67.05513	5.6
69.07053	2.0
74.53584	0.4
75.82359	0.3
79.05482	2.7
80.94576	0.4
81.07055	5.3
82.06576	0.7
83.08609	0.4
84.08141	0.4
85.05299	0.5
91.05488	2.3
93.07043	2.5
95.04971	0.7
95.08598	2.6
96.08115	0.8
97.06489	0.5
97.10194	0.4
98.06058	2.5
105.07043	2.2
107.08588	0.7
108.08169	0.6
109.06622	0.5
110.09692	0.5
111.98474	1.9
117.07001	0.9
119.08574	0.6
121.10160	0.6
131.08562	2.2
132.95781	1.8
133.10146	0.8
134.09653	0.8
138.09058	0.6
138.12767	1.8
148.11160	0.9
150.96899	1.7
155.97427	4.6
159.11681	2.8
159.64305	0.5
161.13251	0.5
173.98459	3.1
176.14359	2.8
210.18620	3.1
220.17009	0.6
221.15311	0.6
226.73511	0.4
238.18007	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.18
Annotation	Piroctone
Peak:m/z	Relative Intensity
51.11920	1.0
55.05510	3.3
67.05513	21.6
69.07068	5.1
70.95856	1.7
71.04994	1.9
72.93829	1.3
74.67429	1.6
79.05496	16.4
79.23911	1.2
81.07066	23.1
83.04974	1.6
83.08613	9.5
85.06539	2.4
91.05482	13.8
92.20981	1.3
93.07043	48.2
95.04972	50.8
95.08602	16.1
97.06522	25.2
97.10164	3.1
105.07055	9.8
107.08595	15.7
109.06538	1.9
109.10151	11.0
111.04446	30.6
111.08102	12.8
111.67670	1.4
111.98476	8.7
117.07024	6.8
119.08585	49.6
121.06473	3.1
121.10127	14.5
123.08071	24.2
125.05956	5.6
129.06952	2.1
131.08571	3.1
132.95821	5.9
133.10130	8.3
135.08070	6.7
135.11720	1.9
137.09624	22.5
143.08556	8.5
147.11685	3.4
150.96867	7.1
155.97441	14.9
157.10162	5.7
159.11717	2.7
160.49701	1.4
161.13266	14.3
162.22568	1.4
173.98502	8.0
175.11151	2.7
175.14816	34.0
178.12173	2.7
185.13252	31.6
193.15857	9.9
194.10649	2.0
203.14297	37.2
221.15353	100.0
238.18027	34.5
239.16418	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	238.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	25.4
56.56630	2.6
57.07081	6.7
61.14452	2.7
67.05507	31.8
69.07071	53.3
70.95875	3.8
79.05488	5.0
81.07067	63.6
83.08627	42.0
86.06071	5.3
91.05482	6.3
93.07040	12.1
95.08611	63.8
97.06515	6.7
97.10174	42.0
99.08113	5.1
100.07610	13.4
102.81934	3.1
105.07053	5.1
107.08598	19.9
109.10165	50.7
109.56208	3.4
111.08082	12.9
111.11725	6.0
111.98495	17.7
112.07600	3.3
113.09689	3.2
114.09180	15.0
115.17591	3.3
119.08542	5.0
121.10146	40.7
123.11707	30.7
125.09599	12.9
128.10733	7.4
131.00018	4.4
132.95834	7.6
133.10149	14.1
135.11679	23.7
137.13246	13.0
139.11226	6.7
142.12279	13.9
147.11667	23.8
150.96910	20.9
155.97432	33.2
156.13899	5.4
158.56277	3.5
161.13303	13.1
173.98497	29.8
174.00537	3.8
194.60281	3.4
197.11777	5.8
203.17990	65.5
210.32762	3.1
221.19014	50.2
229.07411	3.1
238.21664	100.0
238.25360	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	238.9717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79851	10.7
66.86900	9.8
70.39664	9.8
81.66389	10.7
94.93032	19.0
98.92804	10.8
105.37039	12.1
123.04404	15.8
134.96082	64.8
136.07570	79.1
156.95818	49.5
163.49078	12.4
165.05452	40.0
166.31418	11.3
174.96861	62.2
176.97090	45.5
178.95082	100.0
192.97978	22.5
197.98483	65.7
238.97136	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	239.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47414	0.4
55.05505	1.3
59.68051	0.5
67.05507	2.5
69.07064	2.6
78.02488	0.5
79.05481	2.4
81.07061	6.4
83.08617	1.2
85.06531	0.6
93.07059	0.8
95.08620	4.9
97.10104	0.5
99.04450	4.2
107.08585	1.0
109.10193	0.7
115.63776	0.6
117.07040	1.1
119.08571	2.4
121.10162	0.9
129.06981	4.0
131.08582	2.3
133.10080	0.6
137.45119	0.7
138.03780	0.7
141.07010	5.8
142.07864	0.9
143.08563	4.3
145.10124	5.2
147.11771	0.9
155.08539	4.7
157.10126	15.8
159.11671	5.1
168.09258	0.9
169.10126	15.9
171.11694	10.4
183.11676	22.2
184.29076	0.6
185.13272	1.4
197.13251	21.4
210.14064	2.9
211.14809	7.8
222.19409	0.7
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	239.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18729	1.5
55.05517	2.7
57.07076	2.8
57.43831	1.3
67.05507	14.9
69.07061	5.9
70.96226	1.6
71.46346	1.4
73.69797	1.5
76.08939	1.6
79.05500	3.4
81.07047	12.9
83.08619	2.6
85.06531	2.5
87.64277	1.6
91.05519	1.3
93.07055	2.4
95.08609	6.9
97.03493	1.5
99.04452	8.0
102.18245	1.6
105.07123	1.9
107.08566	1.5
109.10168	2.2
110.18036	1.6
123.11543	1.6
129.06982	13.1
131.08598	1.9
131.94464	1.4
139.53758	1.5
141.07002	8.5
143.08563	8.4
145.10143	2.0
147.94499	1.3
155.08565	10.0
157.10120	14.1
159.11671	7.9
161.98541	1.9
164.00195	1.6
169.10095	12.6
171.11687	24.4
173.13281	2.9
176.00119	6.6
183.11691	29.4
189.12840	1.7
190.01718	2.8
197.13261	28.9
198.18587	2.5
207.10992	2.2
210.92412	1.6
211.14821	6.8
239.17953	100.0
259.68234	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	239.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	6.8
57.07084	26.4
59.04992	1.4
67.05511	22.0
69.07066	10.9
71.08631	18.0
75.77719	1.3
79.05502	4.7
81.07064	27.4
83.08626	7.6
85.06554	2.1
85.10188	7.4
91.05507	1.3
93.07069	2.3
95.08612	22.5
97.10175	2.9
99.04465	20.2
105.07085	1.6
107.08615	4.4
107.40436	1.1
109.10162	7.4
115.47345	1.2
117.07030	4.8
119.08554	1.5
121.10138	1.8
123.11724	2.1
125.09676	1.3
129.06989	12.4
131.08595	4.9
133.10135	2.0
141.06963	9.1
143.08566	6.8
145.10204	2.4
147.11676	2.2
153.62262	1.1
155.08551	12.0
157.10121	16.9
157.55576	1.3
159.11674	9.6
167.08578	1.3
169.10094	14.1
171.11673	25.0
173.13304	1.5
176.00156	10.1
178.01669	1.4
178.26381	1.2
181.10046	1.3
183.11690	30.0
185.13286	2.5
189.12801	2.3
196.12413	1.8
197.13263	28.5
211.14859	4.9
214.65074	1.4
239.17967	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	6.8
57.07084	26.4
59.04992	1.4
67.05511	22.0
69.07066	10.9
71.08631	18.0
75.77719	1.3
79.05502	4.7
81.07064	27.4
83.08626	7.6
85.06554	2.1
85.10188	7.4
91.05507	1.3
93.07069	2.3
95.08612	22.5
97.10175	2.9
99.04465	20.2
105.07085	1.6
107.08615	4.4
107.40436	1.1
109.10162	7.4
115.47345	1.2
117.07030	4.8
119.08554	1.5
121.10138	1.8
123.11724	2.1
125.09676	1.3
129.06989	12.4
131.08595	4.9
133.10135	2.0
141.06963	9.1
143.08566	6.8
145.10204	2.4
147.11676	2.2
153.62262	1.1
155.08551	12.0
157.10121	16.9
157.55576	1.3
159.11674	9.6
167.08578	1.3
169.10094	14.1
171.11673	25.0
173.13304	1.5
176.00156	10.1
178.01669	1.4
178.26381	1.2
181.10046	1.3
183.11690	30.0
185.13286	2.5
189.12801	2.3
196.12413	1.8
197.13263	28.5
211.14859	4.9
214.65074	1.4
239.17967	100.0
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
52.70697	1.3
53.00306	1.7
54.20311	1.2
55.05521	16.9
57.07082	100.0
67.05511	36.9
69.07068	21.4
70.67062	1.6
71.08633	64.5
79.05482	2.6
81.03397	2.1
81.06616	2.3
81.07061	43.3
83.04939	1.9
83.08627	21.3
85.08670	1.4
85.10182	27.2
86.20280	1.6
93.07012	2.0
94.10966	1.6
95.08607	63.6
96.70143	1.6
97.10177	10.0
97.13950	1.9
99.08057	2.2
109.10159	26.3
115.00975	1.7
116.08228	1.7
119.08552	2.0
121.24329	1.7
123.11665	4.1
137.13237	1.9
166.31667	1.7
189.16541	2.1
239.23811	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	240.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92268	0.4
54.20203	0.4
57.98842	0.4
64.31960	0.4
67.74857	0.4
74.43476	0.4
81.07057	0.6
88.09103	0.5
91.05475	0.6
93.05812	0.5
98.97573	2.5
106.06553	10.7
108.08121	34.6
109.10191	0.5
116.04928	1.9
116.97244	0.6
116.98593	4.1
118.06587	0.5
133.07616	38.7
134.06030	2.0
134.99651	1.0
157.39191	0.4
158.01241	0.5
175.98491	1.9
176.02289	2.4
186.21803	0.4
223.12282	15.5
240.14938	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	240.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16017	0.3
56.22575	0.3
65.42096	0.3
65.50932	0.3
68.93316	0.3
69.07061	0.4
71.14631	0.4
75.91061	0.3
76.83412	0.3
84.05629	0.5
86.11352	0.3
87.04465	8.6
96.05631	0.5
97.06392	0.4
98.97549	2.0
116.98615	0.7
154.13383	45.4
158.01285	0.5
222.15947	2.4
240.17043	100.0
253.98293	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	240.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25922	1.0
53.22679	0.9
55.01881	1.5
55.05527	12.6
57.07080	16.1
57.93561	2.4
58.06598	1.5
67.05505	6.1
69.07073	36.6
71.08624	7.8
72.08163	1.8
72.95997	1.2
75.94595	2.0
76.59441	1.2
79.05510	2.1
81.07053	9.6
83.08628	36.7
85.10163	5.0
86.06066	5.6
86.09742	1.3
93.07050	5.8
95.08611	12.3
97.06520	10.4
97.10175	22.2
98.96179	1.8
100.07616	10.5
105.79600	1.1
107.08599	7.9
109.10163	8.5
111.08079	5.8
111.11716	8.3
113.98549	1.8
114.09179	10.7
116.97215	62.2
120.37839	1.3
121.10123	9.5
123.11707	5.8
125.09637	5.0
125.13338	2.0
128.10716	5.1
131.99548	24.6
132.53477	1.3
134.95869	6.5
135.11717	14.7
139.11183	2.0
139.98799	2.6
142.12279	2.3
149.13264	10.8
152.96935	15.7
153.12749	1.5
157.97475	25.7
163.14848	1.7
170.98151	1.7
175.98532	100.0
198.22182	2.2
199.00128	13.0
199.01724	1.9
205.19527	15.2
223.20578	14.3
225.87874	1.8
227.01682	1.2
240.23218	52.7
240.26874	49.7
246.31514	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	240.232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72944	1.8
55.05523	25.8
57.07084	34.5
57.29943	2.1
58.03236	2.2
65.17078	2.2
67.05509	13.2
67.92564	2.0
69.07071	72.1
70.13871	2.3
70.55686	2.1
71.05019	2.3
71.08644	16.6
72.08157	4.1
75.85117	2.0
79.05483	3.6
81.07069	28.1
83.08628	59.3
85.10186	5.0
86.06084	9.9
93.07044	14.1
95.08598	21.6
97.06521	19.4
97.10180	40.5
100.07632	20.8
107.08603	15.6
109.10161	14.6
111.08083	15.0
111.11713	11.6
114.09177	19.2
116.97232	54.1
121.10119	20.0
122.73159	2.7
123.11729	5.5
125.09654	5.7
125.13210	3.0
128.10760	8.7
131.99559	24.1
134.95908	4.2
135.11691	20.5
142.12233	4.6
149.13266	13.2
152.96913	19.4
153.12727	4.0
156.13872	4.0
157.97504	25.6
163.14780	4.9
175.98524	99.4
198.22145	3.4
199.00171	4.5
205.19563	32.8
223.20660	22.9
240.20724	3.5
240.23203	100.0
240.26878	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	240.232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97255	0.8
55.05518	7.1
56.25948	0.9
56.96569	0.8
57.07081	11.7
57.93572	3.7
61.04142	0.9
67.05508	4.3
69.07072	19.1
71.08629	6.6
72.04520	2.1
72.08179	1.3
75.94576	1.0
79.05479	1.0
81.07070	7.3
83.08619	17.2
85.10179	1.9
86.06068	1.8
92.67931	0.8
93.07053	3.4
95.08609	5.2
97.06513	4.4
97.10186	7.6
97.37618	1.0
98.96188	2.2
98.97587	10.0
100.04678	0.9
100.07619	4.6
107.08600	2.3
107.09277	1.1
109.10141	3.8
111.08093	5.0
111.11713	1.9
113.98521	1.6
114.09159	5.5
116.97226	60.4
116.98492	8.1
121.10140	4.6
123.11716	1.9
125.09643	4.1
131.99547	24.0
134.95866	5.8
134.99677	1.4
135.11681	1.7
139.11122	1.2
139.98837	1.3
142.12253	1.0
149.13242	4.6
152.96954	17.1
157.97461	27.7
158.01233	1.4
163.14877	1.1
170.97995	2.2
175.98521	100.0
176.02237	7.0
176.09697	1.0
193.99574	1.4
194.03337	1.2
199.00214	8.1
205.19511	8.0
223.20622	4.6
235.35524	1.0
240.23172	28.6
240.26903	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	240.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	4.9
57.07079	5.6
57.93570	2.7
67.05506	2.4
69.07076	14.5
70.06594	0.5
71.08627	2.4
72.08167	0.7
75.94608	1.7
76.84437	0.4
78.12621	0.5
79.05492	1.7
81.07068	4.6
83.04972	0.6
83.08629	11.1
85.10175	1.8
86.06060	2.5
86.09711	0.4
90.95554	0.3
93.07046	2.7
93.95641	0.6
95.08615	4.7
97.06548	2.7
97.10173	7.0
98.96192	2.7
98.97582	5.3
99.78632	0.4
100.07626	3.2
107.08613	2.5
109.10169	3.5
111.08123	4.2
111.11724	2.3
113.09661	0.5
113.98524	2.1
114.09177	3.6
116.97225	56.1
116.98603	4.6
121.10121	3.7
123.11707	2.2
125.09607	0.6
125.13280	0.7
128.10707	2.3
131.99557	21.8
134.95865	4.7
134.99675	1.9
135.11684	3.8
137.13181	0.6
139.11198	1.6
139.98811	2.3
141.12637	0.4
142.12250	1.5
148.96175	1.6
149.13254	3.1
152.95706	0.5
152.96928	15.5
153.12798	0.8
156.13870	0.6
157.97475	24.3
158.01274	1.9
170.98062	2.8
175.98531	100.0
176.02174	4.3
193.99580	2.8
194.03429	0.7
198.22224	0.8
199.00136	7.5
205.19519	7.7
223.20538	5.6
240.23212	19.6
240.26906	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	240.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	7.7
57.03397	0.5
57.07088	14.0
57.93562	2.9
62.26923	0.5
67.05499	4.6
67.73923	0.5
67.76277	0.6
69.06697	0.9
69.07069	25.1
71.04980	0.7
71.08633	5.6
72.04518	2.4
72.08163	1.2
72.95878	0.5
75.94615	0.6
79.05486	1.3
81.07059	9.4
83.04974	0.8
83.08624	26.2
85.06572	0.8
85.10173	3.3
86.06048	5.3
90.43891	0.6
93.07034	5.4
95.08612	8.5
97.06537	7.4
97.08488	0.5
97.10177	14.0
98.96173	3.5
98.97591	3.7
99.08071	0.9
100.07625	8.2
107.08602	5.1
109.10162	6.6
111.08085	5.4
111.11710	7.0
113.98481	2.1
114.09155	7.0
116.97221	59.4
116.98592	3.6
121.10133	7.7
123.11726	4.4
124.06123	0.7
125.09600	3.7
125.13275	1.0
128.10675	3.4
131.99550	22.8
134.95854	6.2
134.99640	1.4
135.11690	9.0
137.13214	1.0
139.11232	1.3
139.98836	1.3
142.12250	2.5
149.13269	6.4
150.24786	0.7
152.96921	15.8
156.13860	1.2
157.97470	27.6
158.01265	2.2
163.14813	1.2
170.15324	0.7
170.97971	2.8
175.98521	100.0
176.02110	2.0
193.99548	2.7
194.03191	0.6
198.18338	0.6
198.22168	1.4
199.00168	8.8
205.19510	14.1
223.20584	9.9
240.23201	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	241.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18747	0.7
66.88252	0.7
71.09019	0.7
74.56340	0.8
98.97603	1.0
108.53210	0.8
116.98589	0.7
127.47427	0.8
136.85693	0.8
155.11774	3.0
166.08421	8.1
241.11584	100.0
241.15504	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	241.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93079	1.4
55.01868	2.2
55.05516	3.2
57.03431	2.6
60.99733	1.4
67.05506	10.6
69.07066	4.1
69.31749	1.4
71.04981	7.5
79.05489	14.5
81.07069	15.3
83.08609	8.9
88.70680	1.8
91.05455	2.8
93.07043	20.7
95.04967	3.1
95.08599	32.5
98.97604	3.9
99.04465	2.6
107.04988	7.1
107.08582	16.2
111.04479	2.5
117.06995	6.0
119.08584	10.6
121.06505	2.7
121.10132	12.0
125.06001	2.1
131.08470	1.9
135.11703	46.7
145.10117	21.8
163.11176	66.1
176.89528	2.0
177.46825	1.8
181.12259	13.2
201.92444	1.6
203.05096	1.8
227.10469	3.8
227.12762	100.0
241.19601	3.6
249.34978	1.8
252.74461	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	241.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93079	1.4
55.01868	2.2
55.05516	3.2
57.03431	2.6
60.99733	1.4
67.05506	10.6
69.07066	4.1
69.31749	1.4
71.04981	7.5
79.05489	14.5
81.07069	15.3
83.08609	8.9
88.70680	1.8
91.05455	2.8
93.07043	20.7
95.04967	3.1
95.08599	32.5
98.97604	3.9
99.04465	2.6
107.04988	7.1
107.08582	16.2
111.04479	2.5
117.06995	6.0
119.08584	10.6
121.06505	2.7
121.10132	12.0
125.06001	2.1
131.08470	1.9
135.11703	46.7
145.10117	21.8
163.11176	66.1
176.89528	2.0
177.46825	1.8
181.12259	13.2
201.92444	1.6
203.05096	1.8
227.10469	3.8
227.12762	100.0
241.19601	3.6
249.34978	1.8
252.74461	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	241.1433
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
55.01883	4.7
55.05510	7.5
56.05040	3.2
56.96577	1.7
57.03448	2.4
67.05523	25.9
67.33858	1.9
68.76089	1.6
69.07064	8.7
70.06599	10.2
71.05011	20.0
75.27068	1.7
79.05503	34.5
79.74440	1.9
81.07071	51.4
83.04981	15.9
83.08630	4.0
85.02915	12.5
85.06564	11.3
86.09746	2.3
87.04467	9.6
91.05484	21.6
93.07040	39.0
95.04964	10.9
95.08601	20.2
97.06535	23.8
98.09711	2.7
98.97580	16.4
99.04469	3.2
99.08086	2.2
102.05546	9.8
103.05907	4.1
105.07040	12.5
107.04958	28.6
107.08616	14.5
109.06515	14.5
109.10173	8.8
111.04449	26.4
111.08118	3.9
113.06007	8.6
115.03936	2.6
115.70622	1.9
116.98619	12.4
117.07038	18.9
119.08548	3.5
121.06518	69.9
121.10146	14.0
123.04404	2.3
123.08102	8.1
123.11655	2.2
125.05987	11.4
125.09617	3.3
130.12267	23.3
131.08586	21.1
133.10147	13.1
134.36508	2.1
134.99701	8.0
135.08118	2.9
135.11713	23.8
139.07507	2.5
139.11183	8.0
141.07004	11.6
143.08594	9.9
145.10150	30.6
149.09624	4.2
149.13304	13.7
153.12737	16.5
158.01390	2.4
159.11711	50.0
161.09590	2.9
163.11194	11.9
167.14322	12.1
168.11324	2.6
169.10103	33.2
172.14491	2.9
177.12749	36.7
181.12355	2.5
187.11191	60.7
195.13834	17.4
195.15707	8.8
200.06862	2.9
200.13930	9.1
205.12224	79.4
205.13998	3.2
218.07858	10.5
223.13255	33.8
241.11638	31.3
241.14345	100.0
241.16249	11.0
241.18892	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	241.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94245	0.5
55.05516	1.1
57.03440	0.7
67.05508	5.0
69.03426	0.7
69.07054	1.1
70.06592	14.5
71.04964	0.6
79.05480	2.7
81.07047	5.0
82.06585	2.7
82.85566	0.5
83.04974	0.8
83.08641	1.2
84.04501	7.7
85.06549	0.7
86.06061	0.6
91.05467	0.9
93.07043	5.6
95.04974	0.9
95.08623	6.1
96.08105	0.9
97.06487	0.6
98.97585	2.8
107.08598	4.5
109.06509	0.6
109.10136	3.2
111.05564	8.1
111.08082	0.8
116.98617	1.1
119.08537	2.5
121.10130	4.2
123.08069	1.1
123.11720	1.0
131.08585	0.7
133.10158	0.9
135.11699	2.3
145.10127	3.8
149.13306	0.7
152.14334	3.1
159.11705	0.7
162.12759	3.9
163.11195	0.8
163.14786	0.7
180.13806	9.0
181.13510	0.7
182.11839	1.1
198.14920	7.1
210.64104	0.6
223.14407	86.2
241.10211	2.1
241.15456	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.1
56.05038	1.3
61.15223	0.6
67.05493	3.4
69.07085	1.3
69.09947	0.6
70.06591	18.2
71.05000	0.9
74.19247	0.7
74.37145	0.6
79.05501	3.9
81.07051	4.4
82.06583	1.1
83.04975	0.7
84.04507	12.3
92.79685	0.7
93.07046	6.8
95.08597	4.6
96.08144	0.8
98.97562	4.9
105.07047	1.0
107.08589	3.4
109.06496	0.8
109.10126	1.3
111.05562	9.1
116.98626	1.6
119.08566	1.7
121.10140	5.6
122.05978	1.0
123.08067	1.1
135.11670	2.8
139.11198	0.9
145.10103	1.1
149.09595	0.9
152.14354	2.6
158.01271	0.8
162.12752	2.7
163.11130	1.7
164.10727	0.7
180.13863	8.1
182.11859	1.1
191.10664	0.9
195.01765	0.8
198.14861	6.6
223.12100	1.0
223.14401	84.9
241.15453	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1545
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
53.02640	0.1
54.30159	0.2
58.06599	0.3
60.08163	1.1
67.78474	0.2
88.56527	0.2
94.06559	0.9
101.81313	0.2
104.10748	100.0
120.42062	0.2
144.80409	0.2
152.07050	0.3
218.10442	0.4
241.10634	0.3
241.15477	4.4
252.66730	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	241.1547
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
56.05019	0.2
58.05171	0.2
58.06602	5.3
66.91235	0.2
70.06592	0.4
75.53335	0.3
84.08143	3.3
96.15858	0.3
98.09673	0.5
110.96491	0.3
124.08718	0.4
128.10710	2.6
133.66441	0.3
140.08235	0.5
144.10208	0.5
168.10258	0.3
196.09724	3.3
241.15460	100.0
260.75458	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	241.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08822	1.0
56.05040	1.0
60.05355	1.7
60.05658	43.4
69.04536	1.1
72.08144	1.5
85.05177	1.1
90.54105	1.1
93.47211	1.0
98.97562	4.7
108.08134	1.0
111.06685	17.8
112.05083	4.2
114.06626	1.4
116.98613	2.1
123.04434	1.1
124.06177	1.4
125.10723	2.4
126.06643	31.0
127.06154	2.2
131.04901	6.2
134.40353	1.1
134.99701	1.0
136.06181	6.2
140.10684	2.0
147.04387	1.7
150.10168	2.0
152.14297	2.1
153.08766	1.2
157.13373	14.9
167.12914	28.6
176.81175	1.1
182.12886	62.5
183.12012	1.3
183.13660	36.7
192.12465	38.1
197.27417	1.3
199.15552	39.5
209.15096	24.6
224.15057	87.2
241.08571	7.7
241.17664	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00329	0.8
53.03960	0.7
55.05514	2.9
58.58943	0.6
66.72221	0.7
67.05511	20.6
69.07070	4.3
71.05000	100.0
79.05498	10.8
81.07066	35.2
81.98972	0.7
83.05006	1.0
83.08627	1.7
85.06559	4.8
91.05469	5.8
93.07047	21.8
95.04996	1.7
95.08617	19.1
97.06554	4.7
105.07037	4.4
107.08611	7.8
109.10160	1.5
111.08095	1.5
117.07036	7.4
119.08569	3.5
121.10113	1.7
131.08554	7.7
133.10126	9.7
135.11707	14.6
141.35622	0.8
143.08585	1.6
145.10091	1.1
147.11716	1.2
149.13271	9.9
157.10100	4.0
159.11703	19.8
171.11684	3.9
177.12744	9.5
185.13300	5.5
199.14859	3.4
209.15344	3.1
213.16418	1.0
241.15851	2.2
241.19545	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	241.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.4
55.01879	1.1
55.05523	12.5
57.03440	0.6
57.07084	0.8
59.11142	0.6
61.50838	0.7
67.05508	6.5
68.68008	0.5
69.07078	1.2
71.04967	0.7
79.05495	4.3
81.07059	12.9
83.04989	100.0
83.08634	5.1
84.06709	0.6
85.06547	2.8
91.05435	1.2
93.07047	15.1
95.08610	15.2
97.06546	0.8
97.10155	4.4
98.97578	2.6
99.04465	1.0
99.08107	1.3
105.62112	0.6
107.08604	12.2
109.10158	5.1
111.08090	8.5
112.57053	0.6
116.97215	5.1
116.98585	1.0
117.97582	1.3
119.08588	1.3
121.10148	8.6
123.11700	2.2
125.09629	2.9
131.08572	2.5
131.99545	1.2
133.10138	1.1
135.08076	3.0
135.11746	0.9
137.09592	0.8
139.07553	1.0
145.10181	0.9
147.11650	1.1
149.09567	1.0
149.13335	5.5
152.96992	1.1
153.09058	1.0
157.97516	1.2
163.14812	17.0
173.13264	5.1
175.98505	6.7
176.98900	6.0
177.00433	0.7
181.15855	3.5
191.14323	10.3
200.20174	0.6
209.15384	28.9
241.15913	0.8
241.19691	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	241.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07082	10.8
58.26379	0.9
60.19316	1.1
60.54265	1.1
62.56304	1.0
67.05512	10.4
71.04992	50.6
71.08622	6.3
72.80872	1.1
78.66032	1.1
79.05491	5.0
81.07070	18.5
83.04974	1.4
83.08596	1.8
85.06553	1.6
93.07035	9.6
93.93556	1.1
94.24492	1.0
95.04973	1.4
95.08623	9.9
97.06536	1.9
98.97592	10.0
105.07043	2.0
107.08592	2.7
109.10154	1.4
109.91459	1.1
111.08118	1.2
112.52163	0.9
113.04774	0.9
116.97214	4.5
116.98609	6.3
117.07029	2.6
119.08628	1.1
129.06970	1.4
131.08572	2.5
133.10149	2.2
134.99646	5.0
135.11687	7.7
148.36542	1.2
149.13258	2.3
157.10118	1.3
157.75113	1.2
159.11690	7.4
171.11716	1.1
175.98454	7.1
176.98724	5.2
177.00519	1.7
177.12790	2.4
192.54710	1.2
200.23730	100.0
213.06259	1.3
241.19531	12.5
257.34549	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	241.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	0.7
53.03931	1.1
55.78321	0.6
57.07084	3.6
67.05508	17.7
69.07069	3.9
71.04997	100.0
71.08625	1.9
78.92143	0.7
79.05493	10.2
81.06663	1.4
81.07061	35.2
83.04986	1.0
83.08610	1.2
84.86060	0.9
85.06521	6.1
91.05490	5.9
93.07044	22.3
95.08609	17.0
97.06523	4.7
98.97588	3.1
99.08083	1.1
105.07040	3.4
107.08605	7.6
109.06543	1.1
109.10176	1.4
111.08072	1.7
114.92302	0.7
116.97200	3.4
116.98616	3.4
117.06999	5.6
119.08582	1.0
121.10131	1.7
131.08556	7.2
132.88373	0.7
133.10130	6.8
134.99666	1.3
135.11705	17.3
149.13239	9.4
157.97476	0.8
159.11664	16.8
171.11684	1.0
175.98543	4.2
176.98830	4.0
177.02742	0.8
177.12729	8.0
179.05023	0.8
184.48523	0.8
200.21861	1.6
200.23726	46.2
209.15266	2.9
241.19647	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	241.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	0.8
53.03950	0.7
55.05520	1.7
60.61523	0.7
61.37931	0.7
63.07561	0.8
67.05512	17.7
68.45959	0.7
69.07070	3.5
71.04993	100.0
78.82059	0.7
79.05505	10.0
81.07059	31.4
83.05048	0.9
83.08621	3.1
85.06554	5.9
86.92551	0.7
86.93225	0.7
91.05480	7.7
93.06485	1.1
93.07043	22.8
95.04945	1.6
95.08614	17.3
97.06499	3.3
98.97575	1.6
99.08116	2.1
105.07021	3.3
107.08611	6.5
109.06540	1.6
109.10141	1.9
111.08086	3.4
116.98527	0.8
117.07000	6.6
121.10118	3.2
131.08556	5.7
133.10117	8.2
135.11688	17.4
138.54648	0.9
149.13226	8.6
159.11676	16.9
177.12679	8.4
209.15359	1.6
223.13234	0.9
241.19611	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	241.195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07091	2.0
60.12137	1.0
67.05521	1.3
69.07070	2.7
78.44891	1.2
81.07052	2.0
86.03947	1.4
98.97570	1.5
101.80811	1.3
105.07045	2.1
116.97224	10.9
117.07027	10.0
117.97582	2.7
118.20988	1.3
129.06992	13.8
131.08548	8.9
131.99545	2.8
134.99713	1.7
135.95618	1.5
143.08582	15.2
145.10156	1.9
147.11699	3.1
152.96936	5.7
155.52133	1.4
155.81676	1.6
157.10110	8.2
157.97495	2.5
158.97849	1.7
159.11665	1.5
161.13260	2.0
171.11696	19.0
173.13223	13.8
175.98543	13.6
176.98932	11.7
185.13266	23.0
199.14816	22.3
200.19942	1.6
223.06424	2.2
225.04311	9.2
241.19505	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.5
57.47797	0.4
60.04547	0.4
60.05642	0.5
67.05491	0.4
69.06701	1.0
69.07070	23.8
69.25735	0.4
72.04530	3.3
72.08157	5.7
73.04040	0.8
74.42618	0.4
78.80449	0.4
86.09719	0.8
93.18384	0.4
97.07611	0.6
98.97582	2.6
108.86884	0.5
113.10770	33.4
114.09170	83.7
114.10305	3.2
115.08689	13.8
123.31245	0.5
124.65836	0.5
131.11807	13.1
156.11317	44.3
164.98155	0.5
173.13977	44.6
192.53700	0.5
199.18089	3.3
214.32346	0.5
241.20213	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34958	1.0
52.25161	1.0
57.59880	0.8
60.05655	1.4
63.89135	0.8
69.07069	26.4
72.04514	1.7
72.08150	2.6
90.57021	1.0
98.97565	6.8
113.10766	31.2
114.09164	71.1
115.08702	10.0
116.98662	4.3
131.11813	12.7
156.11316	39.1
158.01260	1.1
173.13960	35.3
199.18065	3.8
241.10504	1.1
241.20216	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03477	2.8
57.13082	0.5
59.63939	0.5
69.07108	0.5
70.06583	2.2
75.11309	0.5
84.08140	1.3
86.09695	2.3
87.04475	89.0
92.21526	0.9
93.65700	0.6
98.06054	0.8
109.03346	0.6
111.05582	1.3
114.05537	44.0
116.07059	0.9
129.06613	9.4
129.10240	2.3
132.29037	0.6
141.07362	0.7
141.10287	0.8
146.09375	2.0
156.07721	1.3
183.08420	0.7
186.47592	0.6
196.14308	0.7
197.16464	0.7
200.10326	8.5
225.15981	3.7
242.11362	100.0
242.15205	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	242.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87194	0.2
56.05038	1.2
57.03462	0.2
60.72060	0.2
62.83010	0.3
63.94204	0.2
72.08154	3.2
74.06080	0.5
81.07064	0.4
82.06589	0.2
84.04515	2.3
93.18568	0.2
97.07617	0.2
100.07597	0.9
102.05555	3.6
128.07080	1.0
130.04996	5.4
146.08098	1.6
154.12263	3.6
156.10159	1.2
196.14493	2.0
200.12868	1.9
224.13927	1.2
226.44986	0.2
241.68790	0.2
242.14984	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	242.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	3.4
56.17358	0.5
59.47459	0.4
70.06603	0.6
73.83785	0.5
76.07471	0.5
78.67672	0.6
83.06112	100.0
83.55440	0.5
84.08121	0.6
86.09702	2.9
129.06602	2.4
129.10240	0.8
132.10242	0.8
180.05162	0.6
196.14473	16.0
217.60327	0.6
242.09822	1.1
242.14996	52.8
254.87483	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	242.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	1.0
57.07065	2.6
64.43465	0.4
67.78876	0.5
71.08592	0.9
71.42532	0.5
71.53883	0.5
74.06074	3.1
77.05936	0.6
77.07992	0.5
79.44271	0.5
88.07632	100.0
95.08595	0.6
116.10401	0.6
118.96781	7.2
133.99135	1.3
154.96471	1.1
159.96999	2.3
177.98055	8.5
212.23714	5.5
230.10854	0.7
237.48341	0.6
242.24773	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	242.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	1.2
57.07076	1.2
58.06605	0.5
58.29485	0.5
58.72519	0.5
59.93578	0.5
62.00244	0.5
66.68513	0.6
66.68865	0.5
71.04999	0.8
74.06074	3.5
81.07086	0.6
88.07631	100.0
91.30141	0.6
118.47338	0.6
118.96756	5.1
133.99042	1.3
138.25562	0.7
159.97047	0.7
177.98051	6.8
193.26871	0.6
212.23758	5.3
225.98160	0.6
242.24770	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	242.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	6.4
61.34578	0.8
71.08614	3.4
71.54500	1.0
74.06077	2.1
88.07629	16.1
102.09166	6.1
112.43462	0.9
116.10698	1.3
118.96733	2.4
150.98288	1.2
177.98077	1.8
178.11986	1.0
202.12794	1.0
242.24767	100.0
251.39815	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	243.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
64.19897	2.8
93.78070	3.2
102.05509	3.1
110.07162	100.0
122.08856	3.4
152.08328	3.9
154.23296	3.7
156.07719	17.7
202.05692	3.8
205.53177	3.5
225.09875	20.0
243.10992	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	243.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06832	0.5
51.19684	0.4
53.03949	0.5
55.05520	1.2
56.82887	0.5
57.13654	0.5
61.89615	0.5
66.05593	0.5
67.05511	4.8
69.03440	4.7
69.07055	0.8
71.04986	3.9
79.05073	0.9
79.05499	19.0
80.71552	0.6
81.06609	1.0
81.07061	18.4
83.04979	2.3
84.04462	0.5
85.02882	0.7
91.05487	4.9
93.07040	4.1
95.04968	5.3
95.08608	2.8
97.02881	1.1
97.06525	10.4
98.97552	1.3
99.04457	17.0
105.07058	9.8
107.04960	14.3
107.08586	3.7
109.06503	5.9
109.10155	32.7
109.57742	0.6
111.04435	4.7
113.05950	0.8
117.07016	1.4
118.97725	0.6
119.08585	12.5
121.05744	0.6
121.06454	4.5
121.10107	0.9
123.08106	1.3
125.05999	3.7
128.06259	2.4
129.06978	3.3
133.06461	0.8
133.10132	14.0
135.08075	1.1
137.06007	1.5
137.09618	65.2
138.65839	0.6
138.84103	0.6
141.03929	0.6
143.08572	14.3
145.06566	0.7
145.10138	2.5
146.07188	0.7
147.08046	21.7
155.10550	0.6
158.99736	0.7
161.09607	100.0
163.11203	2.7
165.09106	54.7
171.08014	3.0
174.06747	0.9
179.10687	7.9
183.10117	0.6
189.09116	13.6
207.10155	15.4
222.56688	2.6
225.11240	1.3
233.41925	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48301	0.8
52.20079	0.7
52.21279	0.9
55.01865	1.3
56.05039	1.9
60.31054	0.9
64.21665	0.8
68.99789	0.8
69.07089	1.2
70.06583	1.6
71.05033	0.7
72.08198	1.0
72.93779	1.3
75.06609	0.9
76.05149	1.4
82.72833	1.1
84.04511	83.0
86.09711	100.0
86.54447	1.0
97.06525	4.2
97.13036	0.9
105.31148	1.0
129.06618	7.3
132.10213	48.4
141.06595	1.4
141.10240	1.8
149.02347	26.7
166.08601	1.4
197.05894	1.0
197.12840	39.5
215.07016	34.1
225.12323	2.0
235.11501	1.1
243.06479	15.0
243.08464	1.2
243.13309	13.9
243.17230	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	243.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93522	1.5
56.05053	11.2
61.81233	0.9
68.05038	1.5
69.04554	12.4
70.06596	18.2
72.04530	7.0
72.93799	2.2
74.02442	8.7
74.06084	13.4
80.05028	1.3
82.06577	8.9
83.06115	5.8
83.07343	1.1
84.04515	5.7
84.08145	20.1
86.09696	12.1
89.94063	1.4
90.94843	2.3
96.05612	18.0
97.07674	4.2
100.07629	16.5
102.05534	12.7
110.07169	7.3
114.06684	1.9
116.08192	9.8
120.06570	1.8
124.08706	23.6
124.09561	1.6
125.05888	5.2
125.09482	13.4
126.10300	2.3
127.12363	0.9
129.10257	2.3
130.04994	1.2
130.10562	1.4
132.10229	1.2
132.95885	1.4
142.06114	7.8
142.09756	100.0
145.96638	1.8
146.08180	5.7
149.96146	4.4
152.82185	1.1
161.96129	1.7
164.05783	1.5
169.13374	2.6
182.09349	1.4
191.97191	1.2
198.12480	4.5
204.71440	1.1
211.11940	2.0
219.96588	1.8
226.08200	1.8
226.11909	5.0
243.10699	4.2
243.14574	86.4
243.16939	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	243.145
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05053	13.7
69.04539	13.5
69.07080	3.9
70.06587	16.1
71.05006	3.3
72.04510	2.5
72.08156	3.2
72.93789	3.9
73.02929	1.9
74.02439	4.1
74.06084	11.8
80.76387	1.8
81.84887	1.8
82.06538	2.6
83.06097	18.4
84.04507	71.4
84.06441	2.8
84.08135	19.2
84.78232	1.6
86.09710	100.0
87.04474	8.6
90.94828	2.8
95.06071	2.1
96.04471	2.0
96.05607	4.3
99.04440	4.0
100.07582	2.6
102.05544	15.0
110.07175	11.1
112.08681	2.2
116.08192	3.3
117.05465	4.2
124.07542	2.7
124.07802	3.0
124.08718	25.9
125.09499	4.3
127.05041	59.6
129.06622	14.5
129.10243	3.1
132.10184	23.1
140.08176	10.4
142.09758	87.6
145.96556	3.1
148.92593	2.0
149.96121	3.2
152.10657	2.2
156.07597	2.3
161.96072	3.1
169.13379	2.3
191.97205	2.7
193.10843	11.2
197.12868	40.8
197.14555	3.9
206.32690	1.8
211.11923	14.8
211.15753	1.8
219.96552	2.6
224.45552	2.1
226.11829	8.2
236.57510	2.1
243.10965	3.4
243.14665	68.9
252.16315	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	243.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37494	1.2
55.01873	2.2
55.05516	10.7
57.03439	7.2
67.05511	23.1
69.03429	5.8
69.07066	7.2
71.04987	4.9
73.06551	1.4
79.05504	16.2
81.03425	90.9
81.06622	1.5
81.07063	34.6
83.04991	20.0
83.08625	33.9
84.15878	1.0
85.02916	12.5
85.06542	6.4
87.81464	1.2
88.31607	1.0
91.05489	22.1
93.07040	12.6
95.04966	35.8
95.08599	8.1
97.02885	7.0
97.06532	2.2
97.10173	8.8
99.08098	1.5
105.07034	19.8
107.04955	4.8
107.08593	10.2
109.00974	1.2
109.06507	6.5
109.10155	5.2
111.04458	2.1
111.08066	12.5
117.07028	2.0
119.08575	22.8
121.10133	11.5
123.07964	3.9
123.11730	2.5
125.09645	1.6
129.06995	8.8
131.08563	14.2
133.06496	6.0
133.10133	12.2
142.07765	1.9
145.10156	4.5
147.08052	1.5
147.11688	23.0
149.09610	8.4
157.10143	21.6
165.12746	2.7
175.11182	26.2
193.12245	100.0
210.35199	1.4
211.13303	95.3
225.14864	12.6
243.15887	6.5
243.21152	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	243.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	16.1
65.04270	1.6
67.05507	7.7
69.03429	19.0
69.07063	3.1
69.36109	1.5
70.06580	2.0
71.04982	10.4
75.04478	3.4
79.05506	3.7
81.07067	31.8
83.04998	14.5
83.08633	2.0
84.04520	1.7
84.08138	2.4
85.02892	2.1
85.06556	2.9
86.09708	8.4
91.05456	3.8
93.07063	13.2
95.04962	20.2
95.08613	21.7
97.06544	4.1
97.10176	3.1
99.04456	8.4
99.08102	3.0
101.06012	2.0
105.07050	13.7
107.08600	54.4
109.06510	19.1
109.10145	30.3
111.08090	12.0
113.05985	2.2
114.09140	8.5
116.67042	2.2
119.08578	27.7
121.06512	11.9
121.10137	26.4
123.08060	22.2
123.11721	3.0
125.09632	100.0
131.08612	6.4
133.10129	13.3
135.08049	49.7
135.11714	17.1
137.05994	3.2
137.09607	21.8
139.07556	4.0
141.09106	3.8
143.45381	1.9
147.08064	8.4
147.11674	27.0
149.09636	27.5
149.13258	7.7
151.07539	4.3
151.11169	11.3
153.09106	7.1
158.06052	2.9
159.11720	7.7
161.09544	2.5
161.13240	22.3
165.05461	2.8
165.09094	8.4
165.12781	7.4
167.10692	13.2
169.08678	3.1
171.11719	2.5
177.12762	18.6
179.07028	11.8
179.14326	3.7
180.69719	2.0
184.08951	1.9
189.12747	16.7
195.13818	35.6
197.07161	11.4
197.12903	3.1
207.13770	45.0
225.14835	63.5
243.07738	10.7
243.11261	2.2
243.13544	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	243.159
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54306	1.8
52.77015	1.9
53.42875	1.7
55.05505	12.4
57.03450	2.9
58.54735	2.2
67.05514	49.2
69.03428	5.7
69.07068	19.0
71.05000	10.6
71.65956	2.0
78.87707	2.1
79.05495	40.8
81.03406	4.0
81.07062	57.7
83.04996	22.6
83.08624	9.5
85.06562	3.7
86.82323	2.2
87.04481	18.5
91.04958	3.5
91.05486	68.2
93.07046	40.2
95.04964	100.0
95.08608	29.8
97.06535	20.8
105.07029	52.0
107.04953	24.9
107.08601	29.8
109.06520	42.7
109.10142	8.5
111.04432	13.8
113.06019	2.9
114.95646	4.8
115.05476	2.3
116.36433	2.4
117.07011	13.3
119.08569	41.1
119.96731	3.2
121.06485	2.4
121.10145	19.1
123.08076	4.1
123.11712	14.9
129.06985	34.9
131.08574	39.3
133.06494	10.1
133.10132	73.1
135.08044	40.0
135.11670	10.2
137.09630	2.7
145.10130	9.6
147.11696	49.4
149.09616	31.5
151.11183	46.6
157.10109	23.2
159.11679	5.0
163.06125	2.4
165.12732	14.3
173.13245	10.0
175.11192	47.5
187.14745	4.6
193.12241	49.6
211.13309	18.5
243.17418	10.3
243.21082	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	243.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68235	1.3
55.05521	21.5
55.26387	1.3
55.85833	1.2
56.05051	18.1
57.07092	18.3
58.06602	5.6
67.05508	30.3
69.01084	1.3
69.07075	25.0
70.06599	6.5
71.08636	10.5
72.08147	5.0
76.26243	1.2
79.05502	41.5
81.07063	59.1
81.07549	2.1
82.06593	22.2
82.34280	1.3
83.08624	20.4
84.08158	11.7
85.10176	2.6
86.09696	1.6
91.05493	7.1
92.21564	1.3
93.07040	44.7
95.08612	46.0
96.08135	34.0
97.06528	1.9
97.10214	11.9
98.06093	1.6
98.09707	9.2
100.11280	5.5
105.07040	7.6
107.08601	40.3
109.06535	1.9
109.10155	8.5
110.09687	40.6
119.08588	2.4
121.10147	27.7
123.11714	5.4
124.11237	52.6
124.12135	1.8
131.08557	12.4
133.10147	3.5
135.11723	2.9
137.12132	1.5
137.13251	2.6
138.12791	29.6
145.10152	3.5
147.11693	7.5
163.14813	20.1
173.13228	13.3
180.17471	100.0
190.15883	3.1
198.18565	1.6
208.16972	44.9
210.18504	2.1
225.19588	10.3
226.18036	17.9
231.89386	1.5
243.17529	2.2
243.20862	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	243.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68235	1.3
55.05521	21.5
55.26387	1.3
55.85833	1.2
56.05051	18.1
57.07092	18.3
58.06602	5.6
67.05508	30.3
69.01084	1.3
69.07075	25.0
70.06599	6.5
71.08636	10.5
72.08147	5.0
76.26243	1.2
79.05502	41.5
81.07063	59.1
81.07549	2.1
82.06593	22.2
82.34280	1.3
83.08624	20.4
84.08158	11.7
85.10176	2.6
86.09696	1.6
91.05493	7.1
92.21564	1.3
93.07040	44.7
95.08612	46.0
96.08135	34.0
97.06528	1.9
97.10214	11.9
98.06093	1.6
98.09707	9.2
100.11280	5.5
105.07040	7.6
107.08601	40.3
109.06535	1.9
109.10155	8.5
110.09687	40.6
119.08588	2.4
121.10147	27.7
123.11714	5.4
124.11237	52.6
124.12135	1.8
131.08557	12.4
133.10147	3.5
135.11723	2.9
137.12132	1.5
137.13251	2.6
138.12791	29.6
145.10152	3.5
147.11693	7.5
163.14813	20.1
173.13228	13.3
180.17471	100.0
190.15883	3.1
198.18565	1.6
208.16972	44.9
210.18504	2.1
225.19588	10.3
226.18036	17.9
231.89386	1.5
243.17529	2.2
243.20862	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	243.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54350	1.2
55.05527	2.2
56.05031	6.4
58.04082	1.4
58.06609	35.1
67.05501	2.8
68.05035	3.0
69.07060	3.5
70.06606	11.2
70.66677	1.3
71.04985	10.2
72.04529	65.5
72.08168	3.3
74.06081	2.7
75.05590	2.1
76.05138	1.4
81.03439	1.5
81.07067	2.9
83.06133	6.2
83.07344	1.5
84.04522	13.6
84.08154	74.5
85.02916	7.7
85.06567	1.9
86.06071	2.1
86.09711	26.9
90.94817	2.7
95.06113	8.1
96.08169	1.9
98.06061	6.8
98.09706	2.6
99.04470	3.7
110.07162	3.1
113.07131	2.8
114.09161	7.2
117.05512	2.1
123.08027	2.1
126.09151	8.9
129.10237	6.5
132.10242	7.0
139.17998	1.4
140.14357	28.9
145.04921	1.7
149.96062	2.7
152.14360	3.6
154.15916	50.6
161.96046	2.0
177.44789	1.6
179.09181	2.0
180.38675	1.7
184.13342	2.7
186.14905	6.9
194.50798	1.7
196.17076	2.4
197.12793	6.4
197.20126	2.8
225.19510	5.8
226.18036	16.2
243.08531	3.2
243.14459	8.4
243.16891	3.3
243.18257	3.3
243.20691	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	244.0927
Annotation	Cytidine
Peak:m/z	Relative Intensity
57.03453	0.2
59.65455	0.1
62.56208	0.1
69.03427	0.1
69.04551	0.5
70.06600	0.6
70.46624	0.1
72.08160	0.3
83.04382	0.1
84.08150	1.6
84.72813	0.1
85.02888	0.3
86.09711	0.2
93.24693	0.1
95.02449	1.0
112.05093	100.0
116.07066	0.2
143.05650	0.3
147.00551	0.1
147.11247	0.2
181.17560	0.1
203.98065	0.1
244.16597	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	244.1292
Annotation	L-alanylglycyl-L-proline
Peak:m/z	Relative Intensity
54.70007	0.5
55.05517	1.0
56.05037	0.5
58.06606	0.4
59.05010	0.7
65.20741	0.4
69.07050	1.0
70.06602	9.7
72.08168	3.9
79.05479	0.7
81.07073	0.5
84.04501	2.4
84.05625	0.6
84.08149	17.3
86.09716	6.3
87.10036	0.8
88.04064	0.5
89.47101	0.5
96.05614	2.9
96.08134	3.3
97.06513	0.7
98.06130	0.7
98.07178	15.8
98.97561	0.6
101.10756	0.8
102.05492	0.5
110.06057	0.7
110.07068	0.5
112.05091	27.5
113.10703	0.4
114.09171	35.1
116.07081	1.2
123.04343	0.5
126.06641	21.0
127.08649	0.8
129.10201	3.8
130.08635	2.4
131.11803	11.2
132.10208	1.1
140.04985	0.5
146.09242	0.7
147.11287	2.3
152.11826	15.6
156.03880	0.6
156.06483	0.7
160.95413	0.5
166.09729	3.0
175.11960	0.5
180.11353	6.6
184.10861	0.6
198.12375	21.8
200.06818	0.5
204.67032	0.4
208.10957	0.7
212.10326	2.7
226.11862	100.0
227.14041	0.7
227.17523	16.3
244.09348	2.3
244.12996	21.6
244.15529	2.9
244.16243	2.5
244.20168	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	244.1543
Annotation	N-3-Hydroxyoctanoyl-L-homoserine lactone
Peak:m/z	Relative Intensity
53.03920	2.3
55.01880	4.0
55.05515	3.6
55.70528	2.3
56.05057	2.3
57.11802	2.1
57.20821	2.1
62.03883	2.2
67.05511	15.7
67.59964	2.6
69.03415	4.6
69.07063	2.6
71.04989	3.7
76.05138	14.0
79.05490	11.2
81.07072	11.6
83.04993	13.2
83.08613	11.6
84.08121	3.2
86.06128	2.5
86.09680	2.6
86.25919	2.9
93.07054	12.4
95.08600	4.3
96.05619	5.0
97.06522	2.7
103.59269	2.5
105.07141	2.5
107.08609	10.3
109.10150	12.8
110.69446	2.9
111.04446	60.7
111.08097	11.3
112.05119	5.7
121.10165	11.9
128.04539	19.0
133.54782	2.9
135.11700	24.4
144.10153	3.6
145.10158	11.0
153.12764	56.7
163.11176	54.7
169.12260	12.3
173.09601	6.0
180.11349	3.5
181.12244	70.4
191.10674	43.8
209.11722	12.2
212.13940	22.5
226.14326	43.1
227.12781	73.0
244.09521	3.6
244.14220	5.1
244.16606	100.0
244.19040	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	244.1543
Annotation	N-3-Hydroxyoctanoyl-L-homoserine lactone
Peak:m/z	Relative Intensity
53.54942	0.7
55.05331	0.6
55.05523	11.1
55.34136	0.7
55.53862	0.8
56.05031	1.7
57.03192	1.7
57.03448	30.9
58.06594	6.1
60.34487	0.8
67.05508	11.8
69.07065	4.8
70.06594	4.6
72.04509	1.9
74.06078	3.7
79.05500	33.2
81.07056	10.2
82.06595	8.3
83.08621	13.4
84.04507	2.3
84.08145	7.0
91.05486	1.1
93.07037	5.4
95.08595	3.5
96.08133	1.5
97.10190	6.7
98.06095	1.0
105.06997	1.0
107.08603	24.7
109.10149	5.7
110.06050	2.2
111.04433	0.8
111.11752	1.3
112.07604	2.1
119.08562	2.2
121.10139	12.2
124.11233	100.0
125.09649	4.2
130.06516	2.0
134.09665	1.1
135.08099	1.3
135.11691	1.5
137.09615	2.1
138.12801	2.0
139.11157	5.6
145.10118	1.3
148.11362	0.8
152.10707	9.1
154.12273	1.0
158.62206	0.8
163.11174	4.9
166.12305	9.1
166.26106	0.8
167.10670	1.1
170.11765	41.0
173.11818	2.0
181.12189	1.0
182.11761	1.3
184.13348	12.7
191.10614	1.2
198.14883	3.5
200.23244	1.0
208.13400	1.6
211.13179	3.1
226.14363	26.3
227.12704	2.0
244.15431	84.6
245.13849	12.6
254.11435	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	244.1543
Annotation	N-3-Hydroxyoctanoyl-L-homoserine lactone
Peak:m/z	Relative Intensity
55.01876	2.5
55.03300	0.9
57.03430	0.9
67.05517	10.7
69.07068	2.4
70.06590	15.4
71.04988	4.2
74.06071	1.8
79.05498	9.3
81.03426	1.4
81.07063	9.2
83.04972	6.2
83.96080	1.0
84.08145	1.6
85.02924	2.5
85.06536	1.8
86.09665	1.9
91.05479	8.2
93.07046	6.0
95.04981	6.6
95.08616	4.5
97.06521	10.4
99.04447	1.2
101.02377	1.6
105.07037	1.7
107.04951	24.9
107.08598	6.9
109.10150	4.3
111.04430	16.5
111.08085	2.3
112.05094	7.1
114.05443	1.2
114.09119	3.7
117.07025	2.4
119.08556	4.9
121.10153	14.0
123.04385	1.6
123.08065	1.1
125.05993	9.6
125.09659	1.7
127.38361	0.9
129.07005	4.5
130.08658	1.6
131.04918	1.9
131.08571	19.8
135.11705	11.2
139.11148	6.2
145.06465	1.4
145.10127	36.4
147.11678	1.4
149.09616	17.3
153.12749	8.4
155.08568	13.8
158.11748	2.1
163.11169	34.8
167.10638	7.5
173.09616	39.9
181.12222	14.0
190.88950	1.2
191.10669	100.0
194.73384	1.0
198.41568	1.2
202.24701	1.3
208.13309	4.9
209.11720	27.4
226.14432	8.0
227.12775	60.8
244.15273	25.3
244.23048	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	244.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57165	0.8
53.99327	0.8
55.05510	1.2
55.98127	0.7
60.05656	11.4
65.64592	0.8
69.07085	0.9
71.23811	0.8
79.05515	0.9
80.64915	0.9
86.06079	4.4
88.05093	7.1
96.04512	2.2
96.05615	1.1
96.52670	1.0
98.15149	0.8
101.65320	0.9
107.08589	2.0
108.76981	1.1
109.10136	1.1
110.06087	1.1
110.07188	1.8
110.09657	1.1
110.36440	1.1
111.05550	7.0
114.12786	1.5
124.11243	1.8
125.09580	1.0
136.63057	1.0
136.94778	1.0
138.06587	1.7
142.12259	15.1
152.10715	11.2
166.13403	18.4
170.11763	100.0
176.11783	1.2
184.14569	1.3
194.12892	59.4
195.11375	3.5
212.13942	90.7
226.15422	7.4
244.16585	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	244.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37805	0.6
55.05517	1.8
56.05038	0.8
58.04081	0.7
59.04992	3.3
60.04526	5.0
60.05655	68.9
67.05499	1.8
69.07065	2.1
71.04953	0.9
71.08614	3.3
72.04507	1.0
76.05148	1.3
76.59885	0.7
79.05507	1.0
81.07073	1.6
86.06038	0.8
86.07201	1.6
86.09693	1.2
88.03979	1.9
88.07624	1.3
91.05473	0.9
93.07037	1.8
95.08602	1.2
96.04485	1.3
96.05618	2.0
99.08084	4.9
100.11257	3.8
101.06059	0.9
101.37301	0.8
107.08573	4.5
110.07160	7.5
111.05560	3.0
112.05085	3.6
119.53867	0.9
123.31514	0.9
124.05076	1.0
124.11282	1.1
125.09617	3.9
126.06609	5.6
134.07103	1.1
138.06645	10.7
138.09145	4.2
139.11195	2.0
142.12260	7.7
152.10686	1.7
152.11795	1.7
153.09126	1.3
157.12248	4.0
163.82640	0.8
166.13385	20.5
168.11325	4.5
168.13802	1.5
169.12184	0.9
170.11757	27.6
176.11818	3.2
178.34563	0.8
180.11356	7.9
182.12868	4.7
183.13710	1.0
184.09721	1.7
184.13210	1.8
184.14603	1.4
185.11769	7.0
194.12881	100.0
198.16037	1.0
198.16666	0.9
198.18504	11.7
200.16541	1.6
212.13942	44.3
226.15488	44.0
244.16557	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	244.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42055	0.6
58.06613	1.3
67.05534	1.5
69.07072	5.1
70.06580	0.9
74.06078	0.8
81.07030	0.9
84.08154	1.1
86.06081	1.2
87.04459	8.7
92.38377	0.8
93.07043	1.0
99.08095	66.9
101.06019	5.1
102.05540	0.9
107.08601	2.0
107.49323	0.8
112.05082	2.0
112.07577	0.8
116.07104	1.2
121.06522	0.9
121.10140	3.4
122.06039	0.9
128.08177	0.8
135.08054	0.9
138.09190	1.2
139.11136	0.9
142.23402	0.9
146.09248	100.0
149.09564	0.9
155.11807	1.0
157.54866	0.9
170.11771	1.2
172.10794	21.4
172.12228	1.0
174.92361	0.8
180.07727	1.0
181.08527	0.9
181.12247	1.0
208.09734	0.9
212.10361	1.3
212.13951	9.8
226.10774	1.6
243.31372	1.0
244.13094	2.6
244.16603	53.4
244.19118	1.8
245.13896	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	244.1655
Annotation	Lysylproline
Peak:m/z	Relative Intensity
51.42055	0.6
58.06613	1.3
67.05534	1.5
69.07072	5.1
70.06580	0.9
74.06078	0.8
81.07030	0.9
84.08154	1.1
86.06081	1.2
87.04459	8.7
92.38377	0.8
93.07043	1.0
99.08095	66.9
101.06019	5.1
102.05540	0.9
107.08601	2.0
107.49323	0.8
112.05082	2.0
112.07577	0.8
116.07104	1.2
121.06522	0.9
121.10140	3.4
122.06039	0.9
128.08177	0.8
135.08054	0.9
138.09190	1.2
139.11136	0.9
142.23402	0.9
146.09248	100.0
149.09564	0.9
155.11807	1.0
157.54866	0.9
170.11771	1.2
172.10794	21.4
172.12228	1.0
174.92361	0.8
180.07727	1.0
181.08527	0.9
181.12247	1.0
208.09734	0.9
212.10361	1.3
212.13951	9.8
226.10774	1.6
243.31372	1.0
244.13094	2.6
244.16603	53.4
244.19118	1.8
245.13896	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	244.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67444	0.2
55.05522	0.6
56.05036	0.5
60.05653	3.9
62.51052	0.2
67.05492	0.4
69.07067	1.4
70.06576	0.4
71.08624	0.5
72.04533	0.3
79.05503	0.3
81.07050	0.5
84.08160	0.4
86.09709	10.2
95.08620	2.7
99.08098	0.3
101.62538	0.2
105.54565	0.3
110.07179	0.5
112.11211	0.3
114.12811	1.3
120.35424	0.3
124.11214	2.2
129.11505	0.7
132.10173	0.5
138.12819	0.3
142.12270	12.4
148.25461	0.3
156.13867	4.3
166.13414	1.2
170.11757	3.6
170.19066	1.0
180.17487	2.6
194.12936	3.9
198.18533	100.0
212.13927	2.1
226.15460	2.3
244.16544	3.7
244.19080	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	244.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	6.8
57.07077	4.9
67.05511	10.8
69.07073	17.2
70.06606	0.9
71.05022	0.9
71.08636	1.6
72.58985	0.8
79.05496	4.3
81.07066	13.2
83.04992	1.2
83.08627	18.9
85.06544	1.1
86.06071	1.9
88.07637	3.5
93.07040	14.8
95.08614	8.3
97.06521	8.7
97.10160	3.5
99.04433	0.9
99.08062	2.0
100.07627	4.8
107.08599	12.9
109.10150	4.6
111.08084	6.1
114.09160	3.6
117.07008	1.1
121.10163	8.6
123.11671	1.9
125.09594	2.2
125.13246	3.9
131.08606	1.3
133.10063	1.5
135.11722	3.6
149.13263	40.1
159.11702	8.0
166.15895	26.6
167.14320	17.7
177.12758	3.7
184.16924	8.6
184.20580	3.7
194.15443	1.6
195.13828	1.5
212.16443	100.0
213.14909	3.5
226.21584	1.2
244.22705	15.7
245.17506	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	244.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66346	0.2
52.13683	0.2
55.05516	0.6
56.05033	0.3
60.05642	2.4
63.18337	0.2
67.05487	0.4
68.81385	0.3
69.07075	9.6
70.06603	1.2
71.05009	0.3
84.08136	0.5
85.08920	0.5
86.09708	6.2
91.05016	0.2
95.08617	3.4
96.08128	0.3
98.03522	1.1
98.09702	2.6
105.58514	0.3
107.08603	0.5
110.09662	0.3
111.05574	2.4
112.05055	1.2
112.11218	0.6
113.09669	0.5
114.12807	0.6
124.11241	0.5
128.10675	0.4
129.11504	0.3
130.12286	20.2
132.10127	0.3
139.11128	0.3
142.12273	3.9
152.10703	0.3
166.13448	0.5
168.11333	11.1
168.91377	0.3
170.11798	1.3
170.19044	1.5
178.15930	0.4
180.17464	6.3
184.14439	2.9
194.12903	1.0
198.18535	100.0
212.13939	12.3
226.15388	0.4
244.16544	3.4
244.19081	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	244.1906
Annotation	N-Undecanoylglycine
Peak:m/z	Relative Intensity
55.05516	6.0
57.07078	4.4
67.05511	6.6
69.07072	6.6
71.04971	0.7
71.08619	2.6
72.08151	0.8
79.05490	4.3
81.07062	17.2
83.04989	0.7
83.08629	17.3
85.06546	1.2
85.10184	1.3
86.06071	1.6
91.05464	1.3
91.76987	0.6
93.07057	5.8
95.08611	11.9
96.08113	0.6
97.06541	3.7
97.10162	11.3
99.08105	0.8
100.07619	3.8
103.29739	0.6
107.08608	10.5
109.10151	2.9
110.09673	2.6
111.08088	3.6
111.11701	0.7
114.09182	3.6
119.98811	0.6
121.10164	9.9
123.11713	1.5
124.11211	4.8
125.09613	3.0
128.10681	0.9
131.08583	2.6
135.11705	2.5
137.13240	0.8
138.12794	3.4
139.11205	0.9
149.13339	1.1
153.53084	0.7
163.14796	21.7
170.34467	0.7
173.13246	4.1
180.17467	33.0
181.15868	6.9
190.16022	0.9
198.18541	5.1
208.17007	3.8
209.15413	0.7
226.18015	100.0
244.22720	1.3
245.17435	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	244.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	4.2
58.06607	9.8
62.06097	3.0
62.33317	0.3
71.08629	2.4
72.08142	2.5
76.07647	8.2
85.10175	1.4
88.49590	0.3
91.15161	0.3
115.09518	0.3
120.96508	0.5
154.31429	0.3
154.81459	0.3
161.86365	0.3
176.90221	0.4
179.97845	0.6
224.27507	0.3
226.25269	3.2
244.26334	100.0
244.75197	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	244.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07081	5.0
58.06607	8.9
62.06095	5.4
63.75108	0.3
67.05502	0.3
69.07066	0.3
71.08626	2.4
72.08142	1.7
76.07644	9.4
77.27090	0.3
85.10152	0.6
90.06471	0.4
91.35658	0.3
120.96553	0.6
121.10245	0.3
135.40466	0.3
200.23769	0.4
226.21555	0.5
226.25240	2.9
227.20036	0.8
244.26335	100.0
261.98056	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	245.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21452	0.2
54.47895	0.2
56.05054	0.3
56.96572	1.9
57.05099	0.2
59.80172	0.2
60.04535	0.3
62.99083	21.2
69.07072	1.0
70.06606	1.1
73.01165	0.3
74.06087	0.3
76.05132	0.3
78.98558	8.6
78.98990	0.4
79.05519	0.5
81.00124	6.1
81.05798	0.6
81.07080	1.4
84.08154	1.5
85.83733	0.2
86.06073	1.2
86.09705	0.5
91.02177	11.3
95.01331	0.4
96.04484	0.3
96.08129	4.5
97.04023	0.5
99.08103	6.0
106.06547	0.4
107.01657	42.0
113.37861	0.3
121.03204	100.0
122.02727	0.6
124.07589	58.6
129.10249	1.4
137.02681	36.9
141.05441	0.5
147.02110	0.3
155.04507	0.5
156.04787	6.1
158.06049	0.4
159.09097	0.4
176.03645	0.4
178.05374	1.3
181.09694	3.4
196.06305	0.3
199.09012	4.8
203.06563	1.3
203.15511	0.3
213.08820	0.3
215.13286	0.3
222.04359	2.1
223.59009	0.3
240.05315	1.5
245.05214	0.8
245.07664	1.1
245.09692	8.4
264.32895	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	245.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.3
55.05501	2.5
57.03452	1.3
57.07079	2.4
60.67477	1.1
67.05490	1.8
69.03429	1.4
69.07056	3.0
71.46175	1.1
76.66143	1.1
79.05500	1.4
81.07040	5.7
83.08593	2.8
85.80965	1.2
85.82165	1.2
86.09705	2.8
86.47065	1.0
91.05485	2.5
93.03392	5.5
93.07030	2.4
95.08600	5.4
97.10162	9.6
98.44176	1.2
105.07002	2.3
107.08595	8.0
109.10136	3.1
111.09246	10.5
115.05444	2.3
117.06999	1.3
119.08549	6.8
124.05196	5.1
125.09598	7.6
128.06238	9.6
129.06070	2.7
129.06998	64.4
131.08510	2.2
133.10126	5.2
137.05867	1.4
139.05431	9.3
141.06984	7.8
143.08514	6.8
145.06479	2.3
145.10091	1.6
147.04439	1.6
147.11707	1.7
149.13272	1.8
150.58783	1.3
151.03891	2.6
157.06485	100.0
157.10103	2.7
159.11693	2.2
161.05934	2.3
163.07568	2.0
167.04915	38.6
169.06520	7.6
171.08051	6.1
171.11653	2.0
173.06003	1.9
174.06744	9.4
175.07549	1.8
184.05185	8.2
185.05968	38.2
185.13223	2.4
187.07545	2.6
188.08316	32.4
189.09116	51.9
189.10905	4.2
194.48973	1.4
195.04355	10.0
199.07533	90.5
199.14850	1.9
202.06180	1.8
203.06894	1.8
209.13152	1.8
212.04720	2.3
213.05434	10.3
217.06461	2.5
217.08586	77.9
227.07005	59.8
227.14278	5.4
227.17912	6.6
229.12308	1.4
245.08063	98.3
245.13277	2.8
245.15688	11.0
245.19017	14.5
245.22513	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	245.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33174	0.6
62.48895	0.7
62.94452	0.6
66.25596	0.6
69.61167	0.6
83.31435	0.7
83.89857	0.7
86.09705	6.4
87.00822	1.0
88.56397	0.7
100.69706	0.8
118.06511	1.2
130.06549	1.8
132.08083	26.2
142.06598	2.7
156.08058	4.0
157.07648	4.6
158.08395	4.8
159.09169	100.0
160.07614	6.7
170.06061	1.4
181.07574	1.3
183.09245	1.3
184.06065	1.5
184.07565	16.5
185.07095	40.2
199.08681	3.0
200.07095	6.0
201.10252	7.9
209.07161	1.5
209.25256	0.8
227.08144	34.6
245.09201	23.8
253.75240	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	245.092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50626	0.4
51.54465	0.4
52.85545	0.5
56.58830	0.4
59.88326	0.6
60.28996	0.5
69.07077	0.9
78.08098	0.5
79.05501	2.9
81.07047	1.1
83.05010	0.6
84.08128	0.7
85.23643	0.7
86.09717	17.3
87.00814	0.8
93.07052	2.7
95.08588	1.2
96.37635	0.5
97.10219	0.6
107.04925	0.6
111.11708	0.9
115.05380	0.5
119.08577	0.9
121.10135	7.1
121.81529	0.5
122.10471	2.7
125.11582	1.0
130.06512	3.5
132.08093	30.6
135.11697	1.4
139.11182	3.9
140.11528	0.8
142.06525	3.0
145.10158	0.8
156.08093	5.0
157.07607	5.3
158.06046	0.7
158.08397	4.6
159.09178	100.0
160.07556	7.3
163.11145	1.4
164.11542	0.7
166.06866	0.5
170.06050	2.2
172.07628	0.9
183.09213	1.2
184.07597	13.5
185.07101	44.9
192.96774	0.6
199.08675	3.5
200.07062	7.2
201.10260	10.9
209.07130	1.1
227.08144	32.9
227.12761	0.9
228.13208	0.7
245.09215	23.9
245.13416	5.0
245.15509	1.3
245.15941	1.3
246.14224	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	245.1383
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
53.03948	0.6
55.01882	2.6
55.05521	40.0
56.97584	0.4
57.03444	19.6
59.05011	0.7
63.26521	0.5
66.09820	0.4
66.57267	0.4
67.05511	16.3
69.03427	6.7
69.07066	6.1
70.13110	0.4
72.07751	0.8
72.08160	23.6
79.05499	12.6
81.07063	11.4
83.04986	3.5
83.08626	39.8
84.09960	0.5
85.06561	2.4
86.06121	0.6
86.09708	21.5
87.04466	0.7
91.05488	0.7
93.07046	6.0
97.02970	0.5
97.10172	100.0
98.06015	0.6
99.06369	0.8
101.06030	0.7
101.09655	2.0
105.07036	0.6
107.08595	23.5
109.10155	4.4
111.08075	3.0
117.07046	2.5
125.09631	87.6
135.08054	8.8
143.10692	5.6
146.11746	10.9
153.09094	5.4
171.10159	10.7
186.14915	2.0
187.15237	5.4
189.11218	62.3
213.15910	0.5
227.12766	10.0
245.13817	69.1
245.18761	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	245.1383
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
50.13937	1.0
55.01876	2.4
55.05522	40.3
57.03445	20.5
63.24288	1.1
64.28394	1.1
67.05241	1.1
67.05515	20.6
69.03416	8.7
69.07059	6.3
72.08168	2.5
76.26093	1.1
79.05505	10.5
81.07056	11.0
83.04962	5.7
83.08627	38.0
86.09708	29.7
87.08629	1.3
93.07024	7.6
93.13366	1.2
97.10172	99.2
107.08604	31.0
109.10151	6.0
117.07053	2.2
125.09634	100.0
126.14088	1.5
135.08098	12.1
143.10609	2.0
144.08063	7.1
153.09071	5.6
157.06422	1.7
171.10141	7.4
189.11224	57.0
227.12752	17.6
245.08090	1.5
245.13814	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	245.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54582	0.9
55.01880	1.0
55.05513	5.7
57.03430	2.1
67.05509	13.2
68.42780	0.9
69.03427	1.0
69.07074	17.1
71.01349	1.2
71.04996	4.6
79.05079	1.5
79.05502	27.7
81.07064	20.7
83.04974	5.4
83.08630	1.9
86.09698	4.5
89.02374	5.2
91.05487	13.2
92.21390	1.2
93.07045	30.8
95.04959	1.4
95.08604	12.8
97.06507	5.7
97.10188	1.6
99.04442	1.2
104.93555	1.1
105.07023	4.6
107.04957	5.0
107.08582	12.7
109.10118	2.1
111.04416	2.5
111.11723	14.3
117.07035	1.9
119.08558	12.4
121.06499	6.1
121.10140	100.0
125.05994	6.9
129.06960	1.4
131.08578	4.9
135.11694	23.4
139.07555	4.7
139.11180	39.7
145.10133	17.7
149.09599	2.6
163.11176	33.9
167.10672	2.1
173.09596	2.1
181.12230	12.5
185.11697	4.4
191.10718	1.4
227.12762	22.6
227.17763	1.4
245.13811	93.6
245.18959	5.6
245.22742	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	245.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	3.3
56.05045	0.7
57.07084	4.9
58.06604	2.1
60.05658	0.3
61.94397	0.3
68.05037	10.7
70.02975	0.4
70.06588	3.1
72.08160	4.8
73.06536	0.3
82.06570	0.4
84.04534	0.5
84.08163	1.5
86.06072	100.0
86.09707	3.8
87.05596	2.1
87.08110	21.0
91.05514	0.4
100.03999	2.1
100.07575	0.5
104.73026	0.4
108.08146	0.5
110.05322	0.3
113.07143	2.1
113.75893	0.3
114.05524	3.5
121.74624	0.3
132.10205	8.9
142.04977	4.6
144.08121	1.2
159.07631	7.5
168.05142	0.4
185.12849	5.5
196.09686	1.2
213.12309	5.0
245.09392	0.6
245.14955	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	245.1857
Annotation	N-(6-Aminohexanoyl)-6-aminohexanoate
Peak:m/z	Relative Intensity
53.69323	0.3
53.74176	0.3
53.77055	0.3
55.05284	0.6
55.05522	11.2
57.03439	1.7
66.61659	0.4
67.05503	1.5
69.03407	0.6
69.07077	0.8
72.08156	100.0
76.22839	0.3
79.05502	0.5
81.07040	0.4
82.93413	0.3
83.08611	3.1
86.09706	49.1
93.07040	0.9
97.10167	9.1
102.69441	0.4
107.08589	2.5
108.81211	0.4
121.10196	0.4
125.09618	8.7
135.08026	0.6
146.11758	46.7
155.23091	0.5
169.93883	0.4
171.10159	0.9
185.16522	1.6
189.11191	5.5
227.12888	0.6
245.13692	4.9
245.18556	8.0
250.70653	0.4
265.34573	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	245.1857
Annotation	N-(6-Aminohexanoyl)-6-aminohexanoate
Peak:m/z	Relative Intensity
55.05526	2.1
66.11722	0.3
67.05499	1.1
69.03433	0.3
69.07073	2.4
70.07401	0.7
71.05015	0.3
72.08155	25.0
79.05492	1.6
81.07052	1.3
83.04979	0.4
84.32287	0.3
85.02898	0.4
86.09706	100.0
90.88327	0.3
91.05466	0.5
93.07040	1.3
95.04980	0.4
95.08619	0.7
97.06544	0.6
98.06036	0.3
102.05548	1.7
103.05897	1.2
105.07034	0.5
107.04949	2.8
107.08629	1.1
109.10151	0.3
119.08560	0.7
120.08154	1.0
121.10136	3.4
131.08575	1.1
132.08101	1.5
132.10197	33.6
135.11705	1.7
145.10104	2.3
147.11856	0.3
148.06071	1.6
149.06404	0.7
149.09654	0.5
149.13222	0.3
155.08438	0.4
159.09200	3.6
163.11153	3.1
167.09009	0.3
169.61528	0.3
173.09654	1.7
181.12158	0.5
184.07556	0.6
185.07141	1.6
185.16490	3.0
191.10657	3.5
199.11543	0.4
209.11658	0.4
227.08197	1.6
227.12628	0.4
227.18002	0.6
245.09267	1.2
245.12149	1.9
245.15498	1.6
245.18587	7.5
247.30447	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	245.1858
Annotation	Ile Leu
Peak:m/z	Relative Intensity
56.00690	0.2
69.06699	0.3
69.07073	6.4
84.78448	0.2
86.09709	100.0
97.20117	0.2
118.51998	0.2
125.17104	0.2
132.10210	2.6
145.92305	0.2
199.18112	1.3
245.18587	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	245.1858
Annotation	Ile Leu
Peak:m/z	Relative Intensity
51.03469	0.3
54.96898	0.3
67.23947	0.3
69.07073	8.1
80.56371	0.3
86.09708	100.0
132.10216	2.0
245.18579	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	245.1858
Annotation	Ile Leu
Peak:m/z	Relative Intensity
53.45992	0.4
55.05512	0.8
57.03450	0.6
61.45025	0.5
63.48689	0.5
63.81287	0.4
79.05473	0.6
83.08644	0.9
86.09708	100.0
97.10173	2.4
107.08564	0.7
116.12485	0.7
116.48087	0.5
125.09635	2.2
126.31966	0.5
132.10207	2.2
142.10161	0.5
159.11798	0.5
189.11301	1.3
199.18053	0.7
237.09843	0.6
245.13971	2.0
245.18651	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	245.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63350	2.5
52.30610	2.7
55.05520	6.6
57.03449	4.7
67.05502	15.9
69.07048	3.6
79.05498	15.6
81.07070	27.4
83.08624	7.6
83.27708	3.4
86.09662	3.4
91.05476	13.5
93.07038	23.5
95.08614	22.9
97.10172	19.4
105.07047	15.8
107.08575	19.7
109.10168	12.0
114.29852	3.8
117.58084	3.1
119.04952	7.2
119.08583	21.1
121.10152	21.2
125.09641	6.1
133.10129	29.5
135.11655	6.0
137.13185	4.1
147.11708	32.7
149.13239	7.6
155.04242	3.3
161.13245	23.7
163.14830	12.8
169.90884	3.4
175.14832	21.0
189.11221	5.8
189.16452	4.1
215.32997	3.1
231.62340	3.4
245.19002	6.0
245.22617	100.0
267.24542	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	245.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67151	1.1
53.22831	1.1
54.45869	1.1
55.05506	7.5
57.03448	2.2
57.07071	8.5
64.18449	1.4
65.15073	1.6
67.05506	21.0
69.07068	8.0
71.08639	3.2
79.05487	14.2
81.07059	22.9
83.08613	9.0
91.05486	23.9
91.69794	1.3
93.07042	16.5
95.08606	23.9
97.10179	14.2
105.07038	21.4
107.08614	17.3
109.10158	12.1
119.08575	31.7
121.10143	19.4
123.11701	1.7
125.09608	8.9
133.10129	42.3
135.11694	12.1
142.60240	1.4
147.11671	33.5
149.13280	6.1
156.71619	1.7
161.13232	24.6
163.14819	10.6
175.14812	18.7
177.16350	1.8
189.11150	6.3
189.16391	10.4
203.17818	2.8
245.13733	7.2
245.18872	6.0
245.22618	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70713	1.4
55.05519	3.9
57.07067	3.6
58.20852	1.6
67.05508	14.9
69.07066	4.2
71.08622	3.0
79.05490	9.8
81.07066	17.3
91.05482	23.8
93.07050	19.5
95.08606	20.7
105.07037	22.4
107.08591	8.9
109.10167	6.9
119.08573	25.3
121.10141	17.3
123.11752	2.5
133.10130	38.0
135.11664	8.4
137.13287	3.4
147.11671	31.2
149.13239	8.4
161.13242	24.3
163.14786	11.9
167.55351	1.8
169.98477	2.1
172.39301	1.8
175.14833	18.4
189.16405	8.8
203.18056	2.6
245.22621	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1699
Annotation	Isovalerylcarnitine
Peak:m/z	Relative Intensity
55.05513	7.7
61.78045	1.0
66.49110	1.2
67.05513	37.8
67.13403	1.0
69.07069	20.0
71.04992	21.3
73.06519	1.1
74.02446	1.1
76.14371	1.0
79.05498	6.0
81.07063	100.0
82.66997	1.2
82.89917	1.0
83.04986	1.8
83.08630	9.2
84.19133	1.1
85.06549	58.9
85.10162	1.0
85.55297	1.0
87.57390	1.1
88.04000	2.4
91.05489	12.1
93.07044	4.9
95.08610	96.5
95.17914	1.1
97.06534	7.3
97.10173	2.6
98.97579	2.3
99.08104	11.6
101.06019	1.1
102.05548	1.4
105.07054	13.3
107.08601	7.3
108.66944	1.1
109.06516	1.6
109.10163	1.4
111.08054	1.6
111.25697	1.1
116.03425	1.2
119.08563	15.2
121.10141	14.2
123.08051	2.7
123.11719	19.4
134.04491	4.6
135.11684	1.6
137.13255	12.8
147.11688	60.8
148.06038	1.6
153.12747	1.3
164.94974	1.2
165.12749	57.7
183.13806	58.9
200.16469	66.7
201.14861	94.0
214.08649	2.0
246.17015	19.5
269.24039	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	246.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45976	0.9
55.05501	2.9
55.73373	1.1
56.05030	2.3
58.04071	1.4
60.04531	41.2
61.58698	1.1
69.03388	5.1
69.07038	3.0
70.06596	9.1
71.04973	2.0
71.08616	1.3
72.04489	1.6
76.05103	7.6
79.05490	1.8
81.07037	1.6
82.06544	6.1
83.04980	1.4
83.08578	6.5
84.04411	1.3
85.15430	1.2
86.05598	1.7
86.06068	32.1
86.09693	2.0
87.04471	83.8
98.06055	79.9
99.08035	1.4
100.07629	14.9
105.05699	1.1
107.08566	2.0
110.06004	1.6
112.07543	7.6
116.07091	39.6
125.09580	8.2
128.07079	92.5
139.11092	1.9
140.07054	1.3
142.12198	1.8
146.08125	72.8
148.65182	1.4
154.08563	1.9
155.16316	1.3
160.13257	2.7
170.15356	9.0
182.15422	13.4
200.16418	12.1
210.14873	14.7
214.15500	15.0
227.01956	1.2
228.15785	7.0
237.14220	2.0
246.16888	100.0
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	Unknow
Peak:m/z	Relative Intensity
51.29728	0.6
52.50689	0.6
55.05499	0.8
56.05041	4.7
57.96202	0.7
60.05658	40.9
63.78753	0.7
65.10152	0.7
67.05508	6.6
69.07069	5.5
70.06566	0.8
71.04982	3.8
87.10046	1.2
91.05479	1.6
91.11148	0.7
93.07031	1.8
95.08607	5.0
100.65070	0.9
109.10156	20.7
111.11719	1.1
116.07093	0.8
119.08576	6.4
133.38637	0.8
137.09618	10.1
154.12271	62.6
155.10683	5.5
160.09451	0.9
172.13319	98.6
173.11723	8.0
179.11909	1.0
192.28618	0.8
212.09221	1.0
214.15504	100.0
246.18089	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	246.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95799	0.6
58.06354	0.9
58.06608	17.1
60.05640	4.9
60.08155	5.0
70.06591	16.5
72.07809	0.9
72.08163	15.0
79.36233	0.8
82.06590	1.7
84.04488	1.0
84.08148	28.1
86.09710	10.2
91.80871	0.7
94.76678	0.7
98.09711	1.7
100.07624	87.3
104.10751	1.5
105.11066	4.2
112.00426	0.8
112.08675	1.3
114.06638	2.0
116.07097	1.7
117.10255	27.3
118.08659	9.2
127.08649	1.2
128.07024	3.5
129.10222	6.6
130.04982	3.3
130.08656	8.0
130.09503	1.0
133.06061	2.0
143.08983	0.8
147.07603	1.9
147.10246	1.1
147.11314	7.2
158.09264	4.1
160.05185	1.8
169.09671	4.0
170.08089	1.9
175.11899	9.5
183.11188	1.1
187.10823	1.7
204.04143	1.4
218.33548	0.9
228.17128	1.4
229.13045	3.4
229.15326	1.8
246.15559	18.5
246.18068	100.0
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
50.71455	0.4
51.33372	0.4
57.07072	4.0
65.23671	0.4
65.91625	0.5
70.06591	5.3
71.08628	1.1
73.05952	0.4
81.06516	0.6
85.10207	0.9
88.07637	14.3
94.21773	0.5
97.40345	0.4
102.09181	4.4
106.08672	9.4
115.89198	0.4
123.81289	0.5
160.88310	0.5
202.21663	0.9
228.23228	7.6
246.24274	100.0
255.19554	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	246.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99809	0.3
56.36003	0.4
57.07074	3.5
63.21996	0.4
70.06595	6.0
71.08620	0.8
85.10176	0.7
88.07629	12.1
92.20949	0.8
96.70252	0.4
102.09184	3.4
106.08672	9.7
164.50151	0.5
165.62270	0.4
202.21648	0.9
228.23230	9.9
243.74847	0.5
243.99637	0.4
246.24265	100.0
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
50.23278	0.4
57.07081	4.2
59.76748	0.3
70.06593	6.2
71.08637	1.7
85.10186	0.8
88.07632	15.9
102.09181	4.6
106.08671	10.7
145.54724	0.4
150.48245	0.4
202.21683	0.9
209.64929	0.4
219.74541	0.4
228.23184	8.4
246.24271	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56970	0.4
57.07072	3.5
62.49950	0.5
64.45297	0.5
70.06586	6.0
71.08635	0.9
84.49139	0.5
85.10192	1.1
88.07624	15.8
88.08121	1.0
102.09154	4.6
106.08679	9.3
138.24086	0.6
184.20602	0.7
202.21527	0.6
228.23210	10.3
246.24271	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17121	7.1
57.03441	14.2
57.99559	7.9
58.49049	8.5
69.03407	15.1
73.02902	12.5
81.03387	14.1
85.02872	13.2
86.03674	23.2
86.09686	54.7
87.04477	11.9
100.05228	41.9
102.46499	10.1
104.10730	100.0
114.06604	16.0
144.05196	12.7
146.09215	13.3
147.02887	11.8
149.93597	10.0
151.04128	11.6
157.03421	19.7
161.02879	12.2
172.04700	19.9
181.05466	11.2
185.02946	14.8
186.06079	11.8
197.06584	12.4
199.04509	11.8
199.06300	12.7
206.07040	95.2
215.07632	62.3
215.11288	39.9
224.08156	15.7
247.07927	31.5
247.10066	12.0
247.14056	38.2
247.18291	12.8
258.05856	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	247.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05655	82.6
66.41888	1.1
69.90247	1.0
70.00607	1.0
72.08146	5.1
75.20800	1.1
76.04024	1.4
79.98608	1.0
81.07050	5.1
86.09709	10.1
87.05613	1.2
88.69749	1.1
99.91051	1.3
100.05106	2.4
104.01499	1.2
109.06525	6.7
116.04554	1.8
118.06516	5.6
120.08140	2.9
130.06538	9.0
132.08102	2.9
137.05978	11.5
142.06564	1.5
144.08084	10.5
146.06006	57.5
148.05960	1.1
155.06941	1.4
159.09126	9.3
163.03896	2.6
169.73595	1.4
170.05983	21.0
184.08786	13.2
188.07062	100.0
201.11313	1.7
219.06511	2.4
230.09145	5.0
247.05980	2.1
247.11888	80.2
247.14450	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	247.1287
Annotation	2,4-Diacetamido-2,4,6-trideoxy-D-mannopyranose
Peak:m/z	Relative Intensity
50.17561	1.0
56.05046	100.0
56.96576	1.0
57.07088	16.2
58.76163	0.9
59.05008	1.2
72.04520	2.1
72.08172	2.1
74.02454	9.5
74.06082	67.0
76.05140	1.4
77.00906	1.6
81.07055	1.5
81.11045	1.0
82.06581	4.4
84.04503	5.8
84.08125	9.0
85.02927	1.2
86.09730	8.5
88.04011	2.5
96.05628	1.3
102.05547	48.5
114.06678	9.0
118.05106	1.1
120.06574	16.1
128.07080	1.6
128.08212	1.4
132.10196	1.7
137.05913	1.1
142.05017	5.5
143.05550	1.5
144.06601	2.0
145.07155	1.9
146.09233	2.6
163.08153	9.4
163.11469	1.1
187.02780	1.5
189.06068	1.2
207.07056	4.6
212.09222	14.2
214.12137	1.1
215.11954	5.4
230.10226	10.8
247.12698	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	247.1289
Annotation	2,4-Diacetamido-2,4,6-trideoxy-D-mannopyranose
Peak:m/z	Relative Intensity
54.15379	0.8
56.05040	6.4
56.05275	0.7
68.05022	3.0
69.04549	2.9
70.06590	1.6
71.05000	5.2
72.04528	6.9
72.08148	4.2
74.02455	1.6
74.06098	0.6
74.20690	0.6
76.05121	2.9
84.04499	1.3
86.09711	24.2
88.07632	9.7
96.05619	6.0
97.06406	0.9
97.94794	0.6
102.05550	4.2
114.06657	27.0
116.08219	1.1
118.05038	3.8
124.88241	0.7
126.09158	100.0
128.08195	1.1
130.08646	4.0
144.06564	0.7
146.09268	9.2
172.09726	0.7
187.10728	1.7
197.16420	0.7
201.13130	1.0
205.11812	1.0
215.11403	23.3
215.13460	0.9
229.12813	0.8
247.13725	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	247.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.4
53.51264	1.0
55.05500	2.4
59.32821	1.0
67.05503	3.1
69.03122	1.2
69.03442	14.7
69.07063	2.2
71.04985	1.5
72.08144	2.0
79.05488	2.6
81.07063	9.6
83.04979	14.5
83.08630	1.8
84.45253	1.3
85.02892	2.0
85.81224	1.3
86.09710	2.5
87.49059	1.3
91.05452	7.1
93.03360	3.2
93.07022	6.6
95.04954	2.4
95.08584	2.5
97.02880	6.7
105.07022	7.2
107.08584	13.1
108.08987	1.2
109.02861	15.3
109.06516	11.6
109.10140	5.6
111.04417	2.7
117.06976	2.5
119.08567	12.9
121.02846	2.2
121.06504	18.1
121.10118	6.6
124.04982	1.2
128.06204	1.4
131.08575	11.5
133.10112	10.2
135.08047	24.8
137.05963	3.1
137.09622	2.1
139.03828	1.3
143.08595	2.7
144.09329	4.5
145.06458	9.2
145.10147	10.6
147.08064	2.6
147.11681	2.8
148.12068	2.9
149.09615	23.0
150.10359	3.1
151.11198	2.4
153.09061	1.4
155.08582	1.8
157.10205	1.6
158.07249	1.9
158.10886	8.2
159.08092	12.5
159.11693	29.4
161.09610	5.9
163.07526	22.7
163.11163	1.8
168.09349	5.3
170.10922	2.5
172.08757	11.3
173.09613	29.5
173.11763	1.8
173.13229	42.1
183.11691	8.3
185.13219	1.7
185.17247	2.1
186.10396	25.5
187.11171	100.0
187.14951	1.9
189.09029	1.9
191.06981	32.5
193.10159	2.4
194.12431	1.6
201.12732	54.7
205.12283	9.4
211.11163	12.7
211.15233	1.8
214.09770	2.2
219.07957	2.7
219.13713	6.9
229.12225	59.6
229.14241	4.0
230.14696	1.7
247.07573	5.9
247.13252	71.4
247.17029	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	247.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	4.5
58.72599	1.0
69.04560	11.0
71.04993	12.4
72.04516	2.2
74.02451	8.1
74.06078	5.3
76.05112	2.3
86.09657	1.0
88.77749	1.1
93.48123	1.0
96.05605	21.6
96.08099	1.3
97.06403	4.1
98.07156	4.4
99.07959	2.1
100.19968	0.9
102.05550	11.4
102.06651	1.2
103.04401	0.9
114.06654	100.0
116.08198	5.6
118.05037	1.8
128.08153	3.8
146.09251	33.9
147.07629	1.8
153.72362	0.8
157.28725	0.9
160.07225	1.0
170.09123	1.3
201.50832	1.0
202.11798	1.9
215.11398	78.2
229.12958	4.1
247.14003	64.1
247.17976	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	247.1399
Annotation	D-Octopine
Peak:m/z	Relative Intensity
56.05034	8.1
57.92903	1.2
66.22280	1.1
69.04539	9.3
71.04989	12.8
72.04504	2.3
74.02427	8.2
74.06071	7.7
76.05110	7.1
80.44654	1.2
82.09764	1.5
92.96080	1.1
96.05614	23.2
97.06395	5.2
98.07193	4.6
99.07935	2.3
102.05555	11.0
114.06647	100.0
116.08218	5.4
118.05035	2.6
120.06622	1.8
126.09153	1.5
128.08186	6.0
145.88454	1.3
146.09239	35.4
156.71594	1.7
160.10432	1.3
202.11877	2.4
215.11385	73.1
215.13454	2.5
229.12909	8.4
247.13980	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	247.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21924	0.9
53.16232	1.0
53.45280	1.0
55.01877	2.2
55.05509	1.9
58.66142	1.1
63.39182	1.0
67.05498	7.4
69.07070	5.5
74.47916	1.0
79.05485	4.6
80.16663	1.1
81.07056	23.7
83.08637	4.5
89.41670	1.1
91.05476	12.5
91.10222	1.0
93.07030	5.6
95.04967	4.9
95.08628	2.1
97.06526	8.2
99.08066	1.2
105.07047	15.0
107.08599	6.0
109.06487	8.1
109.10152	4.2
113.06009	2.5
119.08598	20.6
121.10127	10.9
123.08074	1.2
123.11713	19.7
129.06995	2.3
131.08554	1.8
133.10118	8.1
147.11687	85.1
149.09647	2.5
149.50952	1.4
157.10133	20.5
165.12741	31.6
175.11176	25.9
193.12227	18.1
211.13229	6.6
219.08029	1.4
229.14340	100.0
247.07643	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	247.165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61629	1.0
51.14791	0.6
51.81233	0.7
53.22510	0.7
54.95798	0.7
55.05512	1.2
56.05043	11.7
57.03442	1.9
58.06606	6.4
65.75553	0.7
67.05501	1.8
69.07064	3.4
74.06083	84.3
83.08630	1.5
84.04537	7.2
86.09708	86.3
87.08094	1.1
99.04438	1.2
101.06104	0.8
101.07144	7.7
102.05537	1.5
104.84710	0.8
105.07036	0.9
106.23956	0.9
111.66044	1.0
120.08033	0.9
123.58463	0.9
133.10146	1.6
142.12288	1.5
146.11763	100.0
151.11201	2.0
155.07025	1.1
169.13394	3.9
187.14415	17.8
211.13246	3.7
215.13770	1.5
222.67450	0.9
229.15521	5.8
230.15402	8.6
247.07552	3.7
247.16502	13.6
247.18359	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	247.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05045	8.4
58.76371	0.4
60.71731	0.4
69.03447	0.6
70.06601	0.7
72.08154	3.2
74.06087	14.8
75.01656	0.4
80.71136	0.4
81.03407	0.5
84.04506	1.1
84.08144	0.9
86.06080	2.3
86.09711	100.0
87.06407	0.9
91.05479	0.7
102.05551	3.0
116.07099	21.8
120.08120	2.1
121.02876	8.3
130.06563	2.0
134.08134	56.2
144.06606	8.9
153.01825	12.0
163.03918	0.7
187.07524	0.6
189.03258	0.6
215.11980	0.8
219.06467	0.7
229.15436	7.3
247.05963	4.6
247.14595	2.7
247.16733	2.8
264.80984	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	247.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.8
56.05047	11.7
56.92618	0.5
56.96572	0.5
57.03442	0.9
58.06601	5.6
67.05503	2.5
72.08158	3.6
74.06083	82.7
84.04510	10.0
86.09711	87.0
96.05615	0.6
99.06376	0.8
101.07151	5.2
102.05505	0.8
109.10178	1.3
114.06691	1.1
117.92950	0.6
120.08102	9.3
126.12811	1.0
143.11794	1.2
146.11768	100.0
169.13356	3.1
186.14912	0.8
187.14365	22.8
215.11569	1.0
215.13907	3.5
229.15425	6.7
247.12711	0.9
247.13942	1.1
247.16463	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	247.2055
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
51.04227	2.2
55.05523	18.3
62.21795	2.1
67.05499	12.4
69.07063	3.4
79.05489	21.1
81.07040	19.8
83.08622	4.3
89.60704	2.2
90.63358	2.4
90.94180	2.6
91.05475	3.5
93.07053	18.3
95.08607	13.6
97.10176	5.2
97.12833	2.4
98.30268	2.2
105.07010	12.0
107.04976	20.9
107.08596	21.9
109.06538	2.6
109.10177	10.7
119.08605	2.8
121.10144	15.1
131.08533	4.7
133.10144	5.5
135.11726	3.7
149.09622	100.0
149.13248	3.8
151.11255	2.5
189.16536	3.3
229.19447	4.3
247.16806	3.1
247.20557	91.1
258.91446	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	247.2417
Annotation	Estrane
Peak:m/z	Relative Intensity
51.40281	1.5
55.05511	8.3
57.07077	6.7
67.05511	21.9
69.07070	13.7
71.08642	2.2
79.05486	20.0
81.07060	37.8
83.08626	14.6
89.13242	1.4
89.58220	1.7
89.88087	1.5
91.05493	2.3
92.71067	1.4
93.07039	42.4
95.08602	38.3
96.51659	1.4
97.10181	7.1
107.08594	39.0
109.10160	22.3
121.10134	55.2
123.11707	8.7
135.11688	62.6
137.13260	2.9
149.13249	32.7
163.14783	15.0
165.16406	6.6
177.16367	6.8
191.17915	8.8
205.19458	3.1
215.42323	1.8
247.24185	100.0
247.26715	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	248.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29250	0.5
57.23961	0.7
58.21062	0.5
59.76770	0.6
65.35372	0.6
65.36705	0.6
67.42555	0.6
69.07053	0.6
71.04998	32.9
73.96683	0.6
81.07063	3.6
95.97695	0.6
110.10511	0.9
110.23215	0.5
113.09647	16.2
136.06175	14.9
146.04582	0.8
150.06619	1.0
183.59560	0.7
192.05153	2.4
216.12437	88.9
222.14378	0.7
230.12912	0.8
248.15045	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	248.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29250	0.5
57.23961	0.7
58.21062	0.5
59.76770	0.6
65.35372	0.6
65.36705	0.6
67.42555	0.6
69.07053	0.6
71.04998	32.9
73.96683	0.6
81.07063	3.6
95.97695	0.6
110.10511	0.9
110.23215	0.5
113.09647	16.2
136.06175	14.9
146.04582	0.8
150.06619	1.0
183.59560	0.7
192.05153	2.4
216.12437	88.9
222.14378	0.7
230.12912	0.8
248.15045	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	249.037
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03481	3.0
54.26802	3.0
55.01875	4.1
56.05046	3.7
57.03430	11.1
57.40786	2.4
58.02970	27.8
58.85665	2.7
61.02938	4.9
61.04050	17.0
70.02960	6.3
72.04512	15.4
73.02914	18.0
73.78297	3.0
82.02952	5.2
84.00854	3.5
84.04509	29.5
85.02902	44.9
85.37853	2.6
86.02427	31.5
87.04483	3.9
88.04002	5.3
88.89819	2.9
94.93010	15.7
98.97591	20.2
100.03975	56.7
101.02386	40.2
109.98703	3.2
110.02406	72.4
111.00798	4.0
111.01936	4.6
113.02338	5.4
114.01860	3.4
116.02715	3.0
116.03426	21.6
116.98625	4.4
117.29924	2.9
118.05019	36.4
123.01906	4.4
125.03454	24.5
126.01896	46.1
127.01385	20.7
127.05067	3.5
128.03436	100.0
129.01865	14.1
129.02963	39.2
132.02882	5.3
136.00275	14.5
139.01399	11.8
142.04994	36.4
143.03407	5.8
143.04494	5.0
145.02441	12.9
146.04480	91.4
153.02951	53.8
155.04515	21.1
156.02882	42.0
157.01312	3.8
157.02449	12.1
158.04456	30.1
159.03999	11.6
160.06027	30.0
161.04492	5.1
164.05565	4.0
170.04507	4.6
171.04054	36.9
174.03969	68.4
178.07089	4.1
181.02460	3.3
185.05565	5.1
188.05542	92.6
199.03473	4.1
206.06586	37.2
213.05070	25.0
231.06065	49.4
249.03676	28.8
249.07144	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	249.0717
Annotation	Asp-Asp
Peak:m/z	Relative Intensity
52.77523	2.3
54.99348	2.2
55.01878	5.7
55.35885	2.3
56.05043	2.4
56.96572	2.6
57.03443	12.5
58.02966	19.2
61.02915	3.5
61.04050	17.0
66.75152	2.5
70.02935	2.3
71.01351	6.3
72.04514	10.5
73.02910	12.3
74.06074	2.8
84.04497	14.6
85.02917	38.1
86.02433	21.6
87.04455	3.7
88.04037	3.9
94.93022	38.1
98.97572	10.8
100.03967	36.2
101.02377	36.6
102.05503	3.7
110.02399	59.8
111.00832	3.5
111.01910	3.1
112.03965	3.4
113.02403	3.6
114.05476	3.6
116.03460	24.2
116.98582	9.4
118.05025	25.1
119.01928	5.9
123.01927	21.4
125.03448	19.7
126.01873	37.5
127.01404	16.8
127.05147	2.9
128.03444	95.6
129.01968	6.7
129.02953	53.5
130.74527	2.6
133.03401	2.9
136.00304	18.6
139.01387	10.5
142.04994	41.2
143.03415	4.9
143.04555	12.7
145.02441	16.1
146.04486	66.4
153.02940	100.0
154.01401	3.7
155.04514	56.7
156.02939	37.5
157.02448	6.5
158.04486	14.5
159.04025	15.1
160.06055	19.6
161.05634	2.9
164.05580	3.4
170.04480	10.4
171.04004	37.3
172.46889	3.0
174.03964	49.0
181.02429	12.8
188.05547	67.7
199.03432	4.0
200.87810	3.4
206.06572	27.1
206.88669	5.1
207.01793	5.8
213.05095	82.3
231.06094	70.2
248.89441	4.1
249.03751	25.7
249.07123	62.7
252.53043	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	249.0717
Annotation	Asp-Asp
Peak:m/z	Relative Intensity
50.00025	1.5
52.30258	1.4
54.03469	9.7
55.01881	8.5
56.05042	2.1
56.96564	2.1
57.03442	4.3
58.02966	38.2
60.04542	6.6
61.02918	3.1
61.04055	16.0
69.03442	2.8
70.02951	4.7
71.88095	1.7
72.04531	15.6
73.02917	12.8
74.02448	3.3
80.54269	1.6
82.02953	3.2
83.01333	3.4
84.00861	3.6
84.04504	43.2
84.04967	3.0
85.02902	17.5
86.02435	48.2
88.03993	2.0
90.05505	2.5
98.97581	3.4
100.03982	42.9
101.02379	24.2
102.01862	2.4
102.05544	3.5
103.03963	2.3
104.03459	2.6
110.02409	98.2
111.00821	3.5
111.01923	3.9
113.02357	2.8
114.01881	4.2
114.05537	10.4
116.03432	15.0
118.05001	55.7
124.45699	1.7
125.03448	9.6
126.01881	43.7
127.01402	14.0
127.05061	3.7
128.03438	100.0
129.01837	9.5
129.02966	13.5
132.02922	7.9
133.04988	2.4
136.00333	3.6
139.00371	2.1
139.01416	7.5
142.05000	44.9
143.03380	10.4
143.04420	2.4
145.02475	3.6
146.04489	67.3
146.53915	3.8
153.02951	19.6
155.04515	3.5
156.02905	50.4
156.04097	2.4
157.02470	2.0
158.04433	22.4
159.04062	2.6
160.06039	28.1
161.04405	4.3
163.02814	3.6
163.04393	3.6
164.05548	2.5
170.04439	7.8
171.04053	16.8
174.03975	45.4
178.07063	7.8
181.02426	2.2
185.05551	2.8
188.05536	97.1
199.03514	3.1
203.06737	2.2
206.06589	46.6
206.99365	3.0
213.05032	7.7
231.06113	27.0
249.07159	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	249.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80873	0.5
56.05052	6.9
56.77954	0.6
57.03432	0.7
58.02966	9.0
59.05003	1.0
60.05643	0.6
61.01125	0.6
61.41322	0.6
62.33828	0.5
62.77040	0.5
64.62049	0.5
67.42393	0.6
70.06593	0.8
72.04512	1.2
72.08152	3.1
74.06112	0.7
75.04468	0.9
84.04504	0.9
85.02895	1.5
86.02425	7.1
86.09712	1.3
87.04483	0.7
88.03996	0.9
95.14117	0.7
97.06532	1.3
99.00821	0.7
100.03973	2.9
101.02378	0.8
101.06045	0.8
101.14334	0.7
104.05318	6.3
110.02422	1.4
111.04441	2.9
118.05016	18.0
121.03414	0.7
125.06030	0.9
126.01907	0.9
127.03799	0.8
128.03426	1.6
129.02927	1.1
131.03404	6.9
132.02927	3.6
133.04968	6.5
142.04953	0.7
143.04510	1.2
143.07021	0.9
144.02919	4.2
146.04483	100.0
147.02805	0.7
150.05640	1.1
153.02937	4.0
155.04532	1.5
157.02492	5.1
158.03287	0.9
171.03995	9.4
174.03966	23.0
188.05513	1.1
189.05095	0.7
203.06621	64.8
206.06593	1.5
213.05000	1.2
217.04538	1.6
225.26910	0.6
231.03967	1.1
231.06114	12.8
249.04332	0.7
249.07210	4.2
249.09717	0.7
249.12424	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	249.1267
Annotation	H-Val-Met-OH
Peak:m/z	Relative Intensity
53.80167	0.3
55.05526	7.7
56.05041	2.7
57.05828	0.5
61.01158	0.8
70.06590	0.5
71.65794	0.3
72.08160	100.0
74.06066	0.7
84.04479	0.3
84.08127	0.6
85.02901	0.6
87.23219	0.3
90.29688	0.3
102.05568	0.6
104.05344	7.0
110.02453	0.5
118.04984	0.4
119.56295	0.4
120.08103	0.7
128.03448	0.8
130.05019	1.4
133.03207	5.9
146.04533	1.9
150.05846	19.7
155.11761	1.5
163.55460	0.4
165.53818	0.4
167.08780	0.4
173.56053	0.4
174.04071	0.7
188.05544	0.5
201.12360	0.7
203.06834	0.5
203.12184	1.6
231.06279	0.4
242.28339	0.4
249.12715	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	249.1848
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03945	1.1
55.05519	4.4
57.07087	1.0
67.05511	21.5
69.07061	4.4
73.06539	1.0
79.05076	2.0
79.05500	34.3
81.07053	10.8
82.46349	0.8
83.08634	1.3
83.75216	1.0
85.06545	1.0
91.05484	29.1
93.07044	100.0
95.04978	6.0
95.08603	10.9
105.04491	1.2
105.07037	5.8
107.08598	27.5
109.10159	4.3
117.06993	2.0
119.08578	12.3
121.10143	35.5
131.08586	5.5
133.10141	19.3
135.08049	5.1
135.11679	10.4
143.08583	3.7
145.10107	1.7
147.08179	0.9
147.11707	2.0
151.11156	1.5
157.10150	6.0
171.11711	1.9
173.13255	2.2
175.14838	6.6
185.61702	3.5
189.16385	3.7
194.62263	1.1
199.14862	9.6
209.73927	1.0
211.30110	1.1
217.15904	7.2
233.15321	1.2
244.12239	1.7
249.18466	38.2
249.21286	1.6
249.22145	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	249.1848
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03942	2.4
55.05518	3.4
63.12425	1.2
67.05505	23.0
69.03426	1.9
69.07048	6.3
79.05503	31.6
81.07064	14.4
83.08644	2.3
84.63073	1.3
85.06495	2.3
89.24522	1.4
91.05486	30.9
93.07045	100.0
95.04967	9.0
95.08612	13.1
97.06508	1.8
99.08118	1.9
105.07020	8.9
106.41553	1.5
107.08595	25.3
109.06558	1.6
109.10194	1.6
117.07034	2.9
119.08573	14.2
121.10142	36.8
123.11703	1.5
131.08562	6.7
133.10150	15.3
135.08128	2.6
135.11668	7.7
142.30745	1.4
143.08490	1.5
147.11584	1.5
151.11256	4.6
157.10139	6.0
175.14810	7.2
189.16391	3.1
199.14870	9.3
217.15825	7.4
249.16510	2.0
249.18562	24.2
249.22122	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	249.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33419	1.0
55.01879	2.3
55.05513	2.7
57.07078	1.0
67.05508	7.8
69.07069	10.4
74.68322	1.0
79.05495	5.6
81.07059	30.9
83.04974	4.6
83.08610	2.2
84.16035	1.1
91.05494	2.0
93.07035	6.6
95.08626	12.5
96.91271	1.1
105.07046	2.1
107.08597	8.0
109.06536	11.3
109.10136	9.1
111.04465	19.2
119.08575	8.4
121.10134	9.0
123.08065	2.5
123.11693	4.8
125.06014	5.7
131.01939	1.2
131.08575	1.3
133.10110	7.7
135.08058	5.3
135.11705	7.1
137.05986	100.0
137.13277	1.4
143.08586	2.4
147.08041	2.1
147.11681	10.9
149.09645	5.7
149.13240	1.7
151.07535	2.3
151.11174	2.4
157.10115	2.1
161.09648	12.4
161.13298	5.6
163.11157	6.0
165.12732	1.6
171.11723	1.6
175.11192	7.5
175.14850	1.4
179.10657	1.7
189.12823	1.4
193.12341	1.3
203.14354	1.5
203.17940	13.6
205.19502	1.6
213.16396	6.0
221.19034	5.1
231.17484	14.2
249.18492	16.8
249.22035	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	249.1848
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
55.05515	5.4
64.58897	1.1
67.05228	1.5
67.05513	22.1
69.07067	8.5
79.05498	38.7
81.07051	15.2
83.08638	2.1
83.63400	1.2
85.06551	2.1
87.34210	1.4
89.47427	1.1
91.05484	36.6
93.07044	100.0
95.04980	5.1
95.08620	11.8
97.06533	1.6
105.07026	14.2
107.08604	21.3
107.14217	1.1
109.10169	2.0
117.07011	11.7
119.08562	13.9
121.06531	1.3
121.10141	51.7
123.38158	1.3
129.06984	2.8
131.08563	12.4
133.10146	22.4
135.08089	4.8
135.11717	12.7
143.08553	2.8
145.10135	1.8
147.11758	1.9
157.10115	5.5
171.11728	2.5
173.13303	2.5
175.14825	8.7
189.16402	4.7
193.12325	1.6
199.14807	13.4
217.15923	11.2
222.41020	1.6
249.18488	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	249.1848
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
50.01131	1.0
52.58138	0.9
55.05518	2.4
56.34018	0.9
57.07084	21.4
67.05509	10.3
69.07061	6.3
79.05515	17.2
81.07060	7.4
91.05486	23.4
93.07047	41.0
95.04973	2.0
95.08612	6.0
95.48492	1.2
97.10187	1.3
97.53893	1.1
102.96136	1.1
105.07029	5.6
107.08591	14.1
113.09675	1.0
117.07046	11.0
119.08586	9.5
120.43806	1.1
121.06514	1.1
121.10140	34.0
129.06987	2.1
131.08572	7.9
133.10132	7.6
135.08049	1.3
135.11681	7.4
137.05974	7.9
143.08498	1.3
145.10129	1.4
175.14807	5.7
177.99593	1.1
179.03638	1.3
189.16470	2.2
193.12245	62.5
199.14793	6.6
217.16000	6.3
249.18486	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	7.4
55.05522	6.5
57.07073	2.5
60.06482	1.3
62.09079	1.4
66.11098	1.4
67.05511	10.4
69.07069	7.8
73.17674	1.2
79.05500	7.4
81.07069	26.8
83.04988	5.8
83.08621	3.4
85.06532	1.9
86.71968	1.8
91.05487	2.3
92.20960	1.5
93.07040	11.0
95.08604	16.9
97.06498	1.5
105.07022	2.5
107.08595	12.2
109.06525	10.7
109.10162	9.2
111.04462	13.8
117.50549	1.6
119.08547	10.4
121.10139	12.7
123.11687	2.9
125.05954	3.2
131.08553	1.8
133.10127	11.9
135.08052	8.2
135.11716	6.3
137.05988	100.0
137.09616	9.3
137.13319	2.0
145.10117	1.8
147.08046	3.4
147.11681	15.5
149.09642	3.2
151.07549	3.2
151.11130	2.3
157.10033	1.8
161.09637	15.4
161.13286	6.9
163.11177	7.3
163.18791	1.3
169.27998	1.5
173.13164	1.5
174.00560	1.5
175.11221	8.8
175.14775	2.3
177.12685	1.7
179.10670	2.9
183.25986	1.6
183.96538	1.7
185.50838	1.8
189.12767	2.1
193.12364	2.1
203.17947	14.8
213.16463	5.2
221.18987	3.6
231.17451	16.0
244.12294	1.5
249.18484	20.2
249.22041	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	249.1848
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
51.25569	0.8
54.40428	0.9
55.05512	5.9
56.53290	1.2
63.41295	0.8
67.05510	23.6
67.87394	0.9
68.47475	0.9
69.03420	1.4
69.07070	11.2
75.68600	0.9
79.05499	42.1
81.07067	18.7
83.04979	4.3
83.08607	2.1
85.06551	2.4
91.05483	39.0
93.07045	100.0
95.04955	8.5
95.08616	14.3
97.06517	2.1
97.10152	1.9
99.08066	2.5
105.04517	1.6
105.07035	11.7
107.08596	33.2
107.09335	1.1
109.06487	1.7
109.10161	2.2
117.07006	11.0
119.08566	20.7
121.10143	68.3
129.07021	1.4
131.08578	13.7
133.10124	28.4
135.08064	6.7
135.11688	15.9
137.09601	2.4
143.08569	5.2
145.10104	1.4
147.11662	1.8
149.09679	1.7
157.10123	5.1
171.11739	1.9
173.13220	5.1
175.14787	13.8
189.12645	1.7
189.16359	6.5
199.14821	16.6
217.15898	14.9
235.91493	1.1
249.15999	2.0
249.18484	36.7
249.21194	1.8
249.22130	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	250.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46020	0.5
60.04253	0.6
60.04535	14.7
70.03776	0.5
73.41000	0.5
81.07043	1.0
85.02892	1.2
93.72806	0.5
96.01482	0.6
98.56911	0.6
103.05470	3.4
107.04961	2.9
120.08106	100.0
131.04950	7.0
136.06140	0.8
138.95604	0.6
145.07614	48.7
146.06052	1.2
149.05988	3.1
152.05684	17.2
162.10263	24.8
163.08626	8.0
166.08630	21.9
179.81627	0.6
190.09773	6.3
191.08168	22.1
192.10202	16.9
204.11298	6.1
205.09705	0.7
208.10820	72.2
233.09190	2.6
250.11856	78.8
250.14351	8.1
262.98318	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	250.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70717	0.5
59.03751	0.6
66.09862	0.5
79.05485	2.1
82.03780	0.5
84.05626	13.8
97.06549	1.4
102.06644	1.4
103.05461	5.8
105.07011	1.2
107.04984	4.1
120.08119	1.3
131.04944	6.2
134.09666	7.2
136.06192	36.9
138.09023	0.6
144.08128	4.8
152.05650	7.4
159.06371	1.2
162.09129	34.0
186.10260	7.0
189.10242	1.1
190.08644	2.9
195.77100	0.6
204.11305	9.0
205.09630	0.7
206.10539	0.8
207.11281	3.9
208.09618	5.2
214.09767	0.6
216.39911	0.7
232.10799	44.4
233.09137	1.3
250.11667	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66357	0.5
53.03954	0.6
53.24659	0.5
54.84800	0.4
57.03418	0.5
58.64439	0.4
69.03457	0.6
69.07051	0.6
70.55992	0.5
79.05489	1.1
81.03479	0.5
84.05635	12.6
85.02909	1.3
86.03220	0.6
86.09715	0.8
88.07623	2.2
94.52836	0.6
97.02909	1.0
102.06662	3.1
103.05469	4.6
105.07040	2.8
107.04964	4.1
114.06658	0.8
120.97485	0.6
126.84507	0.5
131.04941	5.9
134.09634	7.8
136.06184	45.9
142.94386	0.5
144.08130	4.9
146.02693	0.5
147.94469	0.6
159.06384	2.7
162.09131	38.9
186.10236	8.2
204.11259	10.5
207.11336	0.7
208.09689	5.3
214.09843	0.8
232.10796	39.2
250.11661	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.3
57.03438	0.4
60.93692	0.2
61.02919	1.3
69.03443	2.2
70.06581	1.8
80.19466	0.2
81.03429	0.5
84.50852	0.3
84.87888	0.3
85.02911	17.9
88.07633	100.0
97.02902	2.4
106.32879	0.3
109.02898	1.8
127.03921	3.5
145.04976	1.6
166.45927	0.3
191.27065	0.3
200.35487	0.3
211.02994	0.3
221.81641	0.3
250.12848	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	250.1297
Annotation	1-O-ethyl-N-acetyl-beta-D-glucosamine
Peak:m/z	Relative Intensity
53.92705	0.3
69.07073	2.3
97.06547	2.9
122.59139	0.3
136.06186	78.0
152.05696	1.3
153.30089	0.3
174.07700	1.2
191.68355	0.3
213.80704	0.3
232.11931	0.3
250.12978	100.0
265.14600	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	250.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49006	0.4
55.35394	0.5
63.13242	0.5
67.05503	1.3
68.05022	0.9
69.20007	0.5
70.06591	3.7
78.13960	0.5
79.05511	7.1
81.07060	43.4
82.06598	0.8
91.05483	1.1
91.22600	0.5
93.07023	2.2
94.06554	1.4
95.04951	1.0
95.08559	0.7
96.08084	0.8
100.07630	0.8
107.04931	0.7
107.08592	0.9
109.06516	45.8
109.10159	1.3
109.15792	0.5
114.05531	3.2
116.39073	0.7
117.25288	0.5
119.08574	2.1
120.08086	0.8
122.06039	2.3
124.07551	0.8
128.07051	2.1
131.08516	0.7
134.09637	2.0
135.08076	2.9
136.07544	1.3
137.09579	0.8
140.07065	13.3
142.08653	1.1
148.07562	1.3
148.11201	0.7
162.09125	1.1
164.07094	1.8
168.06560	14.6
176.14339	2.6
180.06613	4.4
180.10138	2.2
204.13823	13.9
205.49686	0.6
222.14903	6.7
232.13503	1.1
250.14365	100.0
261.13336	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02404	0.2
52.31187	0.2
54.59584	0.2
59.05008	5.2
65.03957	0.4
67.05506	0.2
76.05181	0.2
81.03415	0.4
81.07108	0.2
87.04493	0.3
89.28193	0.2
93.07081	0.3
95.04963	0.4
95.08662	0.3
99.08161	0.2
105.07085	0.4
107.08615	0.2
117.09123	0.4
118.44402	0.2
121.02856	1.5
123.08090	0.3
140.63364	0.2
143.04906	1.4
145.02843	0.5
149.02345	100.0
149.52254	0.2
161.05986	3.0
165.13901	0.5
167.03395	0.9
189.05447	1.7
193.04968	21.2
207.06528	1.1
219.08185	0.3
233.15280	0.2
251.09103	15.5
251.17676	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	251.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02404	0.2
52.31187	0.2
54.59584	0.2
59.05008	5.2
65.03957	0.4
67.05506	0.2
76.05181	0.2
81.03415	0.4
81.07108	0.2
87.04493	0.3
89.28193	0.2
93.07081	0.3
95.04963	0.4
95.08662	0.3
99.08161	0.2
105.07085	0.4
107.08615	0.2
117.09123	0.4
118.44402	0.2
121.02856	1.5
123.08090	0.3
140.63364	0.2
143.04906	1.4
145.02843	0.5
149.02345	100.0
149.52254	0.2
161.05986	3.0
165.13901	0.5
167.03395	0.9
189.05447	1.7
193.04968	21.2
207.06528	1.1
219.08185	0.3
233.15280	0.2
251.09103	15.5
251.17676	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	251.1063
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05000	1.3
70.30643	0.2
74.15289	0.2
78.60789	0.3
81.07058	0.3
85.75619	0.3
91.05488	0.4
109.06471	0.3
110.01272	0.3
121.06439	0.3
129.06993	1.3
138.14412	0.3
145.02840	0.4
165.07001	1.2
176.89281	0.3
177.05449	0.5
189.06969	1.5
190.07793	7.1
191.08553	30.7
207.08032	0.6
208.08885	3.3
214.21664	0.3
218.07266	6.3
219.08047	29.9
220.08810	5.3
223.11194	0.7
229.07547	0.7
233.09659	0.6
233.11784	0.5
235.07492	1.3
236.08302	8.1
251.10655	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82135	1.2
55.05521	1.5
55.61160	1.1
57.07051	1.2
57.21323	1.0
60.84319	1.1
61.38736	1.1
67.05494	5.5
69.07076	1.4
73.07839	1.3
79.05484	3.0
81.03422	8.0
81.07059	11.0
91.05508	1.4
93.07034	5.7
95.04957	6.1
95.08585	8.5
105.07043	1.7
107.08601	1.9
109.06513	3.0
109.10087	1.2
117.70688	1.4
119.08604	5.6
121.06464	2.1
121.10098	2.4
123.08051	2.3
131.08569	3.1
135.08061	1.6
145.10161	1.9
147.11664	1.9
159.11690	2.1
175.98094	1.4
233.15359	7.3
251.06992	2.0
251.12523	100.0
251.16246	3.8
251.18027	6.9
251.20186	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	251.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15235	0.6
55.01873	1.1
55.05529	0.9
55.81397	0.7
57.03425	1.0
60.04523	4.4
67.05509	3.3
69.03410	0.8
69.07063	4.1
69.90570	0.6
71.04993	1.7
78.81728	0.7
79.05507	7.3
81.07057	8.4
83.04976	3.5
85.02879	0.8
85.06533	0.8
88.04007	1.0
91.05486	4.8
93.07036	11.0
94.06561	5.8
95.04967	5.0
95.08616	7.2
97.06525	7.9
99.04463	5.1
102.05544	11.7
105.07040	11.0
107.04972	13.3
107.08601	10.7
109.06520	4.8
109.10203	1.0
111.04429	0.8
111.08141	0.8
113.02360	4.3
117.07004	3.8
119.08578	3.8
121.06502	10.6
121.10139	4.5
123.04477	0.9
123.08101	0.9
124.07596	0.9
125.05989	3.4
130.05011	4.3
131.08546	4.2
133.06508	3.0
135.08051	1.5
135.11699	9.0
136.07591	1.3
137.05962	5.3
139.07530	1.7
143.08546	0.9
144.09285	1.0
145.02794	1.4
145.06480	1.1
145.10129	35.8
146.06026	6.9
147.11696	4.0
155.06958	0.8
159.11700	8.8
163.11177	100.0
164.07089	0.8
169.10123	2.9
173.09624	15.3
174.05525	5.7
177.05536	0.9
181.12247	4.8
187.11177	14.0
191.08755	2.4
191.10667	7.8
197.09583	1.4
205.12270	7.2
206.08215	1.3
208.08868	0.8
215.10696	7.8
219.08049	3.3
227.12801	2.9
233.11716	8.8
236.08286	1.1
251.06931	1.0
251.10594	9.5
251.12907	3.2
251.16841	0.9
251.20056	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	251.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.8
55.01876	1.8
57.03446	4.6
59.04990	0.5
61.02931	8.5
62.59695	0.3
69.03433	15.3
69.35418	0.3
71.04992	1.6
73.02923	4.6
81.03426	5.5
85.02907	100.0
87.04469	2.2
91.03944	5.2
95.21996	0.3
97.02894	20.3
99.04456	4.1
101.02369	0.5
103.03924	0.5
107.08652	0.3
109.02876	8.4
115.03903	0.6
117.05515	0.4
117.12527	0.3
120.08105	2.1
127.03918	17.9
137.17780	0.3
145.03011	2.4
145.04958	20.1
163.06006	2.3
177.05487	2.1
186.96925	0.4
251.10791	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.164
Annotation	1-Deoxy-11beta-hydroxypentalenate
Peak:m/z	Relative Intensity
51.40363	1.8
55.05521	11.9
55.14272	1.5
55.83379	1.8
57.03444	2.3
60.54808	1.7
67.05514	42.4
69.07086	15.0
79.05505	21.8
81.03427	100.0
81.07061	46.0
83.04975	2.6
83.08622	5.0
91.05482	24.6
93.07031	23.0
95.04975	50.4
95.08597	24.1
97.06521	8.5
105.07047	22.4
107.04978	8.9
107.08574	17.3
109.06497	12.8
109.10143	10.7
116.96880	2.1
117.07054	15.4
119.08585	25.4
121.06513	23.9
121.10149	15.1
123.08057	4.2
123.11725	11.5
125.05986	2.0
129.06996	5.1
131.08586	40.0
133.06433	2.7
133.10144	9.7
135.08057	4.6
135.11655	2.3
135.91284	2.2
139.98935	2.2
145.02855	4.7
145.10172	21.2
147.08028	3.8
147.11702	15.3
149.09653	2.5
155.08551	4.3
159.11671	9.1
169.10149	4.1
171.11708	9.4
173.13272	11.3
187.14784	13.2
189.12689	2.5
197.13261	14.3
203.98596	2.2
205.15897	4.8
215.14278	14.4
233.15361	37.3
251.10641	4.6
251.16202	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	251.1638
Annotation	1-Deoxy-11beta-hydroxypentalenate
Peak:m/z	Relative Intensity
55.01875	1.7
55.05520	14.4
55.70455	1.9
57.07074	11.9
64.02230	1.8
67.05509	39.4
69.03422	2.6
69.07075	22.3
71.04978	2.6
73.06562	3.0
75.90573	2.1
79.05491	23.2
81.03425	100.0
81.07063	52.0
83.04969	4.1
83.08617	11.4
85.06527	3.4
89.06030	47.8
91.05474	26.1
93.07034	27.1
95.04962	58.8
95.08601	33.0
97.06522	4.7
98.98499	2.2
101.09639	2.6
105.07037	33.5
107.04958	8.1
107.08604	22.6
109.06553	14.3
109.10151	10.6
117.07033	10.4
118.74056	2.1
119.08584	36.9
121.06519	28.1
121.10135	23.3
123.08080	11.9
123.11683	13.5
129.06964	4.9
131.08565	49.8
133.06506	3.2
133.08620	7.3
133.10147	8.8
135.08057	7.9
135.11693	3.4
137.09619	4.0
141.07031	2.6
143.08524	3.2
145.02798	2.6
145.10123	28.9
145.12267	3.0
147.08017	7.9
147.11668	21.4
149.09601	3.5
149.13280	4.7
155.08511	4.4
159.11691	11.1
161.13196	2.9
163.11140	4.9
165.12744	3.0
169.10098	8.1
171.11642	9.9
173.09630	3.5
173.13217	4.1
177.05450	4.2
181.10149	2.8
182.15157	2.1
187.14766	26.4
189.12741	2.4
195.11786	4.7
197.13245	13.1
205.15871	4.4
209.13260	8.2
215.14377	15.8
233.15359	47.0
236.15561	2.5
251.10623	3.1
251.16370	39.8
251.18221	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	251.164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.9
55.05514	6.2
57.03453	10.5
57.07078	1.0
61.92126	1.0
65.26273	1.0
66.77303	1.1
67.05511	13.7
69.07065	6.2
79.05499	8.6
81.07062	25.9
83.04990	2.1
83.08604	4.3
85.06539	1.7
91.05476	5.9
93.07058	9.6
95.04966	5.5
95.08616	19.3
97.06534	2.0
97.10165	1.4
99.04446	4.9
104.03527	1.1
105.07021	4.9
107.04955	10.9
107.08573	8.0
109.06522	100.0
109.10149	2.5
111.91725	1.2
117.07002	2.0
119.08585	7.0
121.06496	8.2
121.10120	4.5
123.08110	11.8
123.11671	2.1
126.11276	1.0
129.06943	1.7
131.08578	4.7
133.10068	1.4
135.08083	8.6
135.11671	4.8
137.09590	1.2
145.10120	6.8
147.08038	5.1
149.09593	1.6
159.11732	4.5
163.11163	19.3
173.13269	4.2
175.11154	2.0
191.14331	5.6
201.12721	5.1
219.13826	13.8
251.16347	25.0
251.20163	2.2
251.23590	1.9
251.32198	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	251.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.0
55.05523	6.7
57.07072	4.1
57.26896	0.8
57.36410	0.7
62.79267	0.7
66.50831	0.8
67.05511	48.4
69.07070	9.1
79.05491	10.8
81.07062	89.3
83.04975	1.5
83.08611	5.9
85.10182	3.6
91.05484	3.8
93.07046	17.3
95.04937	1.1
95.08606	100.0
97.06540	1.7
97.10178	2.1
99.08095	1.7
105.07021	1.0
107.08585	12.6
109.06549	1.6
109.10155	43.5
111.08066	7.7
113.09627	3.6
116.95956	0.9
117.07064	1.2
119.08559	4.3
121.06060	1.0
121.10148	15.4
123.08084	3.7
123.11712	11.3
125.09689	0.9
131.08554	4.3
133.10156	3.8
135.08047	1.1
135.11682	15.9
136.14177	1.0
137.09601	3.9
137.13292	1.6
141.12798	3.2
145.10132	7.3
145.96642	1.1
149.09601	1.2
149.13245	3.5
151.11324	1.0
155.10710	1.2
159.11650	2.2
160.07782	0.9
163.11145	4.2
172.22820	0.9
173.13293	2.1
175.14882	1.6
177.16428	4.2
195.13844	1.2
201.16348	16.6
219.17433	9.2
248.68663	1.0
251.20044	17.2
251.23645	10.6
256.71161	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	251.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	17.1
55.05513	17.0
57.03440	30.9
57.07073	33.6
60.64161	2.6
66.30312	2.9
67.05507	43.7
69.07072	51.0
71.04997	5.2
71.08626	22.2
79.05491	5.8
81.07059	60.7
83.04980	6.6
83.08614	28.5
85.06535	4.5
92.20945	3.7
93.07040	19.0
95.08609	91.4
97.06502	4.8
97.10175	14.5
98.71504	3.4
107.08590	14.1
109.10155	28.6
121.10134	21.5
121.86573	3.3
123.11691	6.0
135.11688	15.9
138.05217	3.6
141.12779	5.9
151.14792	3.8
153.12752	22.6
161.17783	3.2
163.97681	12.9
169.15863	59.3
233.22604	5.4
233.77232	4.1
251.18088	4.1
251.23682	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	252.0035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22826	4.2
57.03443	8.1
71.05017	6.0
73.02911	10.8
77.53580	3.9
78.04462	4.0
81.03423	8.0
85.02898	9.0
86.03683	4.2
92.16447	5.9
93.41150	4.4
94.93006	6.8
95.92056	5.1
96.02440	6.4
99.04491	5.0
100.05247	8.8
103.03204	4.3
109.02885	8.4
115.03172	4.6
116.03962	4.9
130.03683	7.5
133.03494	11.5
139.04198	7.5
146.04982	18.9
151.04510	6.5
164.06047	7.5
174.03699	5.1
175.04561	8.9
206.07098	11.2
223.03729	4.9
252.00374	100.0
254.17079	5.1
260.29407	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	252.0542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94950	1.9
54.39527	2.0
54.57865	2.3
56.87910	2.2
56.96585	19.8
61.51619	2.0
71.08640	3.8
74.71376	2.0
76.46623	2.4
84.08134	4.2
85.02912	10.1
91.05453	5.7
97.02885	4.9
105.07030	9.9
118.06541	3.3
120.08104	100.0
122.09675	11.1
136.06139	2.9
143.00084	3.0
146.06050	14.5
167.03888	5.8
178.05835	3.2
178.16959	2.9
185.04854	53.2
188.07089	16.2
203.05908	79.2
205.98819	12.8
206.08153	45.2
206.11732	5.6
211.02806	19.1
219.01822	3.2
220.07779	5.9
221.06932	11.2
229.00441	3.0
229.03853	81.8
247.04892	32.2
249.02815	2.7
252.12050	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	252.0867
Annotation	N-Feruloylglycine
Peak:m/z	Relative Intensity
52.94143	0.3
53.74763	0.3
70.02963	0.7
72.89509	0.3
73.74050	0.4
74.02444	20.8
80.40080	0.3
81.07050	0.6
88.03197	0.6
88.03994	53.6
91.05482	100.0
91.78451	0.3
97.02913	1.6
98.02481	0.4
107.04963	0.5
116.03454	21.9
120.04473	0.5
134.04494	70.0
136.06187	29.9
136.07556	1.9
144.54883	0.4
146.06015	0.6
171.54996	0.4
177.74622	0.5
205.98763	1.4
206.08099	2.7
234.07597	5.7
234.13478	5.5
252.08620	2.8
252.12108	2.5
252.14459	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	252.0865
Annotation	N-Feruloylglycine
Peak:m/z	Relative Intensity
56.96568	2.1
69.07074	0.3
70.02935	1.2
74.13242	0.3
75.54746	0.3
84.43372	0.3
87.00850	2.4
91.05498	0.4
95.08665	0.3
97.02925	2.6
103.05460	2.3
105.03238	0.3
118.06545	5.6
120.04483	2.3
120.08107	100.0
121.08433	1.2
122.82914	0.3
131.04903	0.4
136.06184	6.1
136.97887	0.3
137.02737	0.3
144.08055	0.5
146.06012	17.4
164.10645	0.7
166.08614	2.2
167.03792	1.5
185.04875	8.2
188.07060	22.2
192.06566	1.6
192.10213	2.8
203.04118	0.3
203.05928	8.7
206.08130	55.7
211.02811	1.8
221.07072	0.7
229.03853	9.7
234.07591	1.3
234.13400	0.7
244.82436	0.4
247.04861	4.2
252.08728	1.2
252.12065	0.5
252.14496	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	252.1087
Annotation	5'-Deoxyadenosine
Peak:m/z	Relative Intensity
54.78805	0.2
55.27509	0.2
56.05047	2.4
60.04544	0.3
69.03381	0.3
70.06590	0.9
71.04988	0.9
72.04501	0.9
72.08149	1.3
73.02926	0.4
74.06057	0.3
76.05114	2.0
84.04494	0.3
84.08148	2.3
86.09702	1.9
88.03963	0.2
90.92445	0.2
99.04459	1.7
100.36440	0.2
101.29385	0.2
102.05521	0.3
110.06047	1.5
110.07178	0.9
117.05476	3.1
118.05005	0.5
119.03570	0.2
129.10226	1.9
136.06184	100.0
136.24394	0.2
140.04500	0.4
160.07173	1.1
177.09874	0.9
181.93436	0.2
194.05646	0.4
205.98694	0.2
252.10838	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	252.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
71.64695	1.1
96.41055	1.0
154.45932	1.2
158.31526	1.2
164.03366	1.1
169.73723	1.4
252.15688	100.0
253.18607	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	252.1592
Annotation	Furmecyclox
Peak:m/z	Relative Intensity
53.03970	1.0
55.01876	1.4
55.05520	1.4
61.56324	0.7
63.81282	0.6
67.05507	6.7
69.07060	4.6
73.02910	1.4
75.36695	0.8
79.05518	6.2
81.03416	1.5
81.07065	14.9
83.01351	1.0
83.04965	0.9
83.08630	2.0
85.02876	0.8
87.04454	0.9
91.05495	8.9
93.07051	8.9
95.04953	1.2
95.08611	9.8
97.02912	7.4
97.06549	1.1
105.07042	15.9
107.04949	1.6
107.08584	7.1
109.02879	78.7
109.06532	1.6
109.10160	4.2
111.04432	1.4
111.08080	1.1
117.07035	1.3
119.04941	5.0
119.08573	33.4
121.06518	1.4
121.10132	12.4
123.04430	4.8
123.08044	1.5
123.11700	8.8
125.05978	1.1
129.06996	4.1
131.08585	1.8
133.06493	17.4
133.10129	12.1
135.08044	1.7
135.11708	2.0
137.05992	4.5
137.09569	2.6
139.07549	3.1
142.38631	0.9
143.08578	1.4
145.10126	1.9
147.08061	11.6
147.11646	6.2
151.07545	7.9
161.13246	48.9
165.09103	2.0
171.11674	7.2
172.50298	0.8
179.14290	3.6
189.12741	20.3
205.98753	1.9
207.13835	6.8
211.13074	0.9
235.13243	7.3
252.15929	8.5
252.18689	3.7
253.14330	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1956
Annotation	Nupharamine
Peak:m/z	Relative Intensity
50.46890	1.7
55.01880	2.3
55.05519	12.8
55.97452	1.5
57.07077	3.4
61.38147	1.6
67.05514	30.7
69.07070	18.5
79.05492	22.3
81.07066	47.2
81.89380	1.9
82.11238	1.8
83.04988	2.5
83.08618	18.6
85.06563	10.3
88.74305	2.2
91.05502	23.8
93.07049	32.8
95.04971	2.0
95.08612	42.8
97.06538	12.8
97.10175	4.9
99.08086	8.3
105.07051	12.3
107.08603	44.0
109.06494	3.5
109.10178	17.7
111.08089	35.5
113.09652	3.5
114.09171	2.6
117.07016	5.0
119.08591	51.2
121.10152	53.3
123.08082	27.7
123.11710	4.8
124.78600	2.1
125.06005	28.8
125.09637	8.2
129.07056	2.8
131.08589	9.7
133.10136	50.9
135.08055	8.9
135.11705	12.4
137.09613	59.3
139.07538	11.1
143.08513	3.4
145.10164	3.7
147.11690	7.7
149.09712	3.6
151.11166	4.4
157.10109	3.0
161.13315	2.8
171.11778	4.5
173.13292	3.8
175.14810	4.0
189.12769	3.0
189.16391	34.3
199.14848	25.5
205.98654	2.9
207.17509	3.8
217.15883	48.9
217.19519	13.0
224.20161	3.7
234.18599	3.6
235.16931	100.0
235.20570	9.8
252.19594	44.9
252.23215	11.9
253.17978	2.1
262.53452	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	252.232
Annotation	Pumiliotoxin 251D
Peak:m/z	Relative Intensity
55.05521	25.2
56.96568	3.5
57.07077	10.3
62.80772	1.8
67.05510	38.6
69.07073	69.1
70.21849	2.2
71.08620	9.0
71.49994	1.8
71.81056	1.7
72.08173	3.7
73.30450	2.0
79.05501	10.1
81.07065	79.0
81.07549	2.5
82.07376	2.3
83.04999	2.7
83.08627	45.2
84.08133	2.6
85.06547	3.1
86.06075	3.1
91.05471	9.0
93.07043	19.9
95.08611	83.4
97.06528	10.7
97.10172	32.6
99.08088	4.0
100.07632	16.8
101.87771	2.0
105.07028	8.9
107.08584	13.8
109.06544	2.4
109.10165	43.7
111.08081	4.6
111.11710	4.5
113.09677	2.2
114.09179	19.1
119.08572	17.4
121.10160	25.7
123.08057	3.6
123.11720	35.7
125.09642	4.4
128.10715	9.5
133.10132	19.5
135.11702	22.3
137.09605	8.4
137.13260	25.4
139.11177	5.2
142.12221	8.2
147.11708	21.3
149.13220	9.2
151.11163	2.9
151.14841	11.4
153.12781	3.7
156.13828	4.1
161.13257	14.0
163.97678	3.8
165.12852	2.6
170.15457	3.5
175.14818	9.0
193.19470	3.9
205.98764	12.8
217.19505	57.0
219.83049	2.3
229.00375	2.6
235.20572	74.5
252.23204	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.232
Annotation	Pumiliotoxin 251D
Peak:m/z	Relative Intensity
55.05521	38.1
57.07083	15.0
60.50972	1.5
67.05180	2.7
67.05511	52.2
69.07074	64.0
69.10944	1.6
70.06595	4.6
71.08628	8.8
71.30795	1.9
72.08170	1.8
78.39100	1.7
79.05495	12.8
81.07065	98.4
83.04989	3.4
83.08627	46.7
84.04549	2.1
84.08148	4.3
85.02892	1.9
85.06533	3.3
85.10191	2.2
86.06059	4.3
87.74600	1.6
91.05475	12.0
93.07041	20.2
95.08609	100.0
97.06532	9.1
97.10178	22.3
99.08087	7.2
100.07619	12.2
100.29246	2.0
105.07030	13.3
107.08596	17.3
109.06512	3.8
109.10155	46.0
111.08090	10.0
111.11723	2.6
113.09623	1.9
114.09178	14.8
119.08591	20.8
121.10130	23.4
123.08100	3.8
123.11695	23.1
125.09618	2.9
126.09132	3.6
128.10712	11.2
133.10133	31.1
135.11714	23.0
137.09651	8.7
137.13248	20.1
139.11151	3.2
140.10632	2.4
142.12245	3.2
145.96667	1.8
147.11670	17.7
149.13269	7.8
151.11174	4.3
151.14783	13.7
153.12721	3.1
154.12279	2.4
156.13902	1.9
161.13269	17.0
165.12779	2.5
174.11276	1.7
175.14851	4.1
177.16389	2.1
191.17900	7.5
193.19507	4.5
205.98933	2.3
217.19496	64.4
235.20563	51.9
252.23203	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	252.2321
Annotation	Pumiliotoxin 251D
Peak:m/z	Relative Intensity
55.05519	37.2
57.07073	15.7
58.06582	2.5
67.05511	51.9
69.07071	66.1
70.06586	3.9
71.04979	2.9
71.08627	4.8
79.05498	13.7
81.07063	88.5
83.08622	44.0
84.08139	5.2
85.06538	2.7
86.06039	10.6
91.05473	18.6
93.07044	20.6
95.08607	100.0
97.06547	11.0
97.10175	26.0
100.07630	15.0
105.07059	11.1
107.08595	19.6
109.06479	3.7
109.10143	55.9
109.10807	3.5
111.08070	5.6
111.11714	10.5
112.07643	3.3
114.09142	17.1
119.08582	22.0
121.10149	20.5
123.08096	4.8
123.11701	24.0
125.09640	3.8
126.09161	4.6
128.10739	5.5
133.10143	31.7
135.11705	24.2
137.09630	10.8
137.13242	19.9
138.50792	2.5
139.11162	2.8
147.11685	20.8
149.13255	10.6
151.14868	10.4
153.12651	2.7
156.13832	2.9
159.38457	2.1
161.13237	14.8
170.15381	4.0
175.14859	3.4
186.95564	2.7
187.97757	3.1
191.18034	4.4
193.19518	4.1
205.98778	11.0
214.92737	2.8
217.19516	51.4
235.20547	49.7
252.23203	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	252.232
Annotation	Pumiliotoxin 251D
Peak:m/z	Relative Intensity
55.05520	36.6
57.07092	26.6
64.25842	2.5
67.05514	48.0
69.07076	62.4
70.06599	5.2
71.08650	5.5
79.05495	14.3
81.07062	100.0
83.04978	3.6
83.08628	47.9
84.08149	3.2
85.06553	3.6
86.06053	3.2
91.05486	12.6
93.07046	22.8
95.08614	99.8
97.06535	13.6
97.10172	24.4
99.08098	2.7
100.07618	18.7
105.07028	17.5
107.08601	17.1
109.10166	53.7
111.08079	7.0
111.11752	5.9
114.09151	15.7
119.08595	25.2
119.91584	2.6
121.10130	25.0
123.08144	3.5
123.11686	23.2
124.62873	3.0
125.09589	3.6
126.09163	5.2
128.10762	3.9
131.04225	2.7
133.10127	25.6
135.11693	21.2
137.09631	5.9
137.13254	26.3
142.12283	4.5
147.11710	17.9
149.13257	3.5
151.14828	15.3
153.12860	4.1
154.12303	5.4
156.13809	3.7
161.13287	18.9
167.14305	3.2
175.14851	11.4
191.18002	3.5
193.19518	5.8
205.98761	9.9
206.01559	3.1
217.19519	62.7
235.20552	45.5
236.14099	2.7
252.23201	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	252.2318
Annotation	Pumiliotoxin 251D
Peak:m/z	Relative Intensity
55.05521	31.0
57.07074	16.7
67.05511	64.0
68.11182	3.3
69.07069	65.9
70.06583	4.8
71.08639	6.4
79.05500	9.5
81.07061	99.9
83.04979	4.0
83.08625	45.3
84.08138	6.0
84.37431	3.8
86.06051	5.7
91.05464	9.8
93.07050	19.3
95.08607	100.0
97.06516	4.1
97.10155	24.6
99.08138	6.3
100.07621	8.2
105.07041	15.6
107.08580	16.7
109.10155	45.9
114.09183	7.6
119.08567	21.1
121.10148	24.3
123.08088	5.5
123.11694	21.8
126.09121	5.2
128.24438	3.8
133.10139	30.9
135.11703	15.3
137.13260	26.4
145.85985	3.6
147.11690	19.7
149.13251	8.2
151.14772	17.1
161.13263	9.1
164.70476	4.2
175.14862	5.5
191.17863	6.6
217.19475	56.9
235.20537	53.3
252.23166	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	252.2319
Annotation	Pumiliotoxin 251D
Peak:m/z	Relative Intensity
52.79377	2.5
53.53541	2.5
55.05513	39.1
57.07072	20.4
67.05506	68.4
68.05848	3.3
69.07070	70.3
70.06589	5.1
71.08619	7.2
75.88309	2.7
77.56084	3.1
77.64215	3.1
79.05502	13.6
81.07056	97.1
83.08616	54.6
85.06551	6.8
85.10188	4.5
86.06062	4.5
91.05467	16.3
93.07028	24.6
95.08604	100.0
96.08935	3.3
97.06523	15.4
97.10177	26.6
99.08092	5.7
100.07597	13.0
105.07026	24.5
107.08578	21.3
109.10160	59.4
111.08094	6.9
111.11666	3.1
114.09148	16.7
119.08588	27.5
121.10133	21.9
123.08073	3.9
123.11706	33.5
125.09592	5.5
128.10713	3.8
133.10127	34.7
135.11644	26.1
137.09622	6.8
137.13251	19.7
140.10672	5.2
147.11703	27.7
151.11194	5.0
151.14821	18.0
161.13272	14.2
175.14793	3.4
191.17993	5.4
193.19542	5.6
205.98766	18.3
217.19476	66.0
229.00404	3.6
235.20540	48.8
252.20540	10.2
252.23163	73.9
252.86552	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	252.232
Annotation	Pumiliotoxin 251D
Peak:m/z	Relative Intensity
54.55451	1.8
55.05521	31.5
57.07077	16.1
57.16880	1.9
60.67783	2.1
67.05511	49.8
69.07076	53.8
71.08640	6.3
75.85527	2.5
76.48404	2.5
79.05464	8.9
81.06610	5.0
81.07058	83.1
83.04987	5.0
83.08625	45.0
84.08131	2.8
84.64789	2.3
85.06573	4.6
85.10193	4.6
86.06065	5.7
86.09758	2.3
90.32060	2.4
91.05492	5.9
93.07040	19.4
95.08611	93.1
97.06535	12.9
97.10168	32.2
99.08067	3.5
100.07624	12.6
100.53690	2.6
105.07039	15.3
107.08580	15.5
109.10161	47.6
111.08080	9.4
111.11727	15.1
113.09662	2.6
114.09152	14.2
119.08569	15.4
121.10156	22.5
123.11713	30.7
125.09580	5.7
126.09215	3.4
128.10733	14.6
133.10083	24.7
135.11702	26.2
137.09612	4.1
137.13271	27.4
139.11156	3.8
142.12253	11.8
147.11732	26.2
148.88647	2.6
149.13251	9.0
151.11102	2.5
151.14827	21.3
156.13757	4.4
161.13234	22.3
163.97643	3.1
175.14815	4.8
177.16431	3.1
189.16382	4.5
191.18127	3.1
193.19516	4.9
205.98782	16.7
217.19507	82.5
217.21486	4.1
235.20587	79.5
252.23190	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18044	1.6
68.02517	29.1
68.85597	2.0
69.81338	1.7
80.04994	6.4
82.98204	1.7
84.19038	1.9
88.02126	1.8
94.02927	21.5
112.07598	3.4
117.18934	1.9
123.05545	29.3
126.05513	84.1
133.05095	17.5
140.03450	3.6
140.07066	2.2
148.05043	12.2
149.62361	2.2
151.05014	51.4
154.04979	70.8
155.08163	32.3
161.04625	23.1
165.07686	2.3
169.06033	4.1
176.04573	9.7
179.04491	27.9
179.05730	8.0
180.07724	7.3
183.07634	2.4
186.07591	3.3
189.04073	7.5
193.07208	65.0
197.05569	10.1
211.07111	4.7
221.06714	11.1
239.07715	12.2
253.06648	3.5
253.09277	100.0
269.95111	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	253.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11007	1.2
57.07069	1.3
58.02962	2.3
68.02518	7.6
69.03437	1.9
88.04007	2.8
91.05480	100.0
92.02494	6.3
92.05806	1.7
94.02918	1.7
97.02890	6.6
99.05570	1.8
101.17387	1.5
105.07029	5.6
105.25515	1.5
123.05548	29.1
123.08031	1.8
126.05518	45.7
133.04106	3.4
133.05106	83.4
136.06207	2.8
137.06618	1.9
138.05502	1.8
140.07050	11.0
150.64308	1.7
151.03781	2.5
151.05028	69.1
151.06134	5.1
154.04991	7.5
155.08119	20.8
161.04596	9.4
165.09149	1.7
169.06067	5.7
179.04283	16.2
179.05656	11.9
183.07666	8.5
192.07228	1.8
193.07216	84.4
211.07117	17.3
253.09323	52.4
253.14606	2.9
260.83713	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	253.1182
Annotation	Phe Ser
Peak:m/z	Relative Intensity
50.18776	0.2
56.05032	0.5
60.04520	0.3
61.49277	0.2
70.06583	0.8
72.08126	0.2
74.06077	0.4
84.08157	1.2
85.02889	0.2
86.09686	0.4
88.04059	0.2
91.05492	0.2
93.07048	0.2
95.05048	0.2
95.08521	0.2
103.05464	1.7
106.05032	1.0
106.16033	0.2
110.07176	2.3
113.74274	0.2
113.96407	0.3
120.08101	100.0
129.10239	0.9
134.09645	0.2
136.07574	2.5
150.05472	0.4
156.07770	0.4
165.05479	0.4
182.08101	0.4
207.11320	0.2
223.99442	0.2
235.10870	0.3
253.11765	3.8
256.15128	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	253.1182
Annotation	3-Hydroxyhexobarbital
Peak:m/z	Relative Intensity
53.80898	0.5
56.59437	0.5
60.04533	68.6
61.75595	0.7
68.06602	0.6
70.06611	1.0
77.39096	0.5
84.08178	0.9
87.05593	3.6
92.20977	0.8
103.05462	2.1
107.04935	0.8
111.26532	0.6
120.08108	100.0
131.04907	3.5
136.07590	2.4
144.08078	3.4
148.80586	0.7
149.06015	2.8
162.09154	3.4
165.63916	0.6
166.08630	75.0
207.11287	17.0
235.10780	5.0
253.11819	17.0
257.65015	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	253.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	2.9
57.03440	0.8
61.02927	2.4
65.68485	0.3
69.03442	4.5
71.04985	0.3
73.02935	0.4
73.06564	17.1
81.03434	0.6
85.02913	30.9
91.03963	1.7
91.91900	0.4
97.02895	5.8
99.04465	0.6
103.05473	2.4
106.05096	0.5
106.97645	0.4
109.02885	2.9
115.57332	0.3
120.08111	100.0
127.03911	5.3
127.90190	0.4
129.13164	0.3
136.07576	3.7
145.04987	6.0
163.06067	0.6
165.05489	0.6
182.08110	0.9
194.12894	0.4
253.03520	0.7
253.11783	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	253.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79879	0.8
55.05519	1.3
57.03448	8.3
63.02736	0.9
64.70725	0.8
67.05511	21.0
69.07065	1.4
79.05502	2.1
81.07074	7.0
91.05482	57.9
93.07043	4.2
95.04954	2.2
95.08607	5.5
97.06505	1.1
105.07038	21.3
107.08586	1.8
109.06597	1.4
109.10133	2.0
111.04427	1.4
117.06984	3.4
119.08577	4.6
121.10113	1.4
123.11740	1.3
128.06180	1.5
131.08580	2.1
133.10130	100.0
135.11749	2.0
135.62170	0.9
141.67290	1.2
143.08556	7.1
147.11551	1.3
151.11168	5.3
154.04071	1.0
155.08539	1.1
157.10071	1.2
161.09608	15.0
161.13225	1.0
169.10136	1.9
171.11722	1.1
179.03438	2.1
183.11717	1.6
197.11687	1.6
197.13309	1.4
241.70967	0.9
253.14143	32.7
253.19537	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	253.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72684	1.0
53.03959	1.3
55.01864	1.5
55.05517	5.6
67.05506	9.4
69.03422	2.6
69.07072	7.1
69.08180	1.2
71.04991	6.3
78.10597	1.0
79.05504	14.8
81.03396	1.2
81.07060	44.9
82.71671	1.1
82.72248	1.0
83.04979	5.0
83.08614	4.8
85.06529	4.9
91.05492	8.9
93.07045	34.9
95.04967	10.7
95.08618	18.2
97.06529	15.4
99.04439	9.6
101.06006	1.3
105.07033	15.9
107.04963	4.2
107.08596	22.4
109.02889	1.8
109.06521	37.7
109.10155	5.2
111.04430	1.3
111.08121	4.3
113.06020	2.6
119.08585	14.8
121.06506	100.0
121.10122	5.0
123.08074	7.4
123.11676	1.7
125.05976	6.5
127.07556	14.5
129.06995	4.8
131.08539	4.6
133.06467	2.3
133.10117	10.8
135.04408	5.5
135.08072	11.5
135.11678	2.7
137.05966	4.7
138.45450	1.1
139.07535	15.3
143.07072	1.5
143.08554	7.6
145.10129	9.8
147.08060	2.6
147.11690	33.6
155.43678	1.1
157.10133	21.0
161.05960	1.4
161.09624	1.8
161.13254	18.6
163.14711	2.0
165.12711	7.8
166.07692	2.1
171.08109	1.3
171.11678	22.5
173.09624	1.9
175.07574	1.2
175.11192	22.0
181.10201	9.0
184.08868	1.3
189.12761	26.6
193.06897	2.0
193.12282	13.5
196.28137	1.1
199.11179	40.3
207.13770	11.5
211.13254	1.5
217.12233	92.5
235.13287	46.9
239.95596	1.0
253.08890	1.4
253.14249	22.9
253.21645	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	253.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.1
55.05519	6.2
59.57291	3.0
69.07053	8.3
78.86324	4.1
79.05498	23.9
81.07064	46.8
83.04994	7.1
83.23493	3.5
85.06540	3.8
86.89216	3.4
91.05489	5.3
93.07037	60.2
95.04966	4.4
95.08623	9.1
97.02940	3.6
97.06533	16.0
97.10155	4.0
99.04456	14.3
105.07015	20.1
107.08597	35.8
109.06536	30.4
109.10156	7.8
119.08565	20.2
121.06518	88.8
121.10159	7.0
123.08002	5.2
127.07574	23.3
131.08559	6.2
133.10132	21.1
135.04422	4.1
135.08076	23.3
137.05983	4.2
139.07582	13.8
142.85330	3.9
143.08620	5.1
145.10110	6.0
147.11696	53.8
149.02226	4.0
151.07579	4.0
157.10126	34.8
161.13239	8.0
163.03903	37.6
165.12793	30.2
171.11667	36.4
175.11203	32.7
189.12787	45.8
193.12289	21.3
199.11179	35.9
207.13805	20.7
217.12216	100.0
235.13287	83.6
236.76805	4.4
253.08549	6.7
253.14085	51.8
253.19518	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	253.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17636	0.3
51.98584	0.3
60.08197	0.5
60.38654	0.4
65.62164	0.4
67.49344	0.4
70.06570	0.4
71.11749	0.3
72.08113	0.4
80.19810	0.3
81.07053	0.5
83.08603	0.5
86.09711	0.6
87.04482	9.5
95.88677	0.3
97.02831	0.4
104.10749	1.9
105.20325	0.3
107.08633	0.4
110.08461	0.4
120.19254	0.4
121.06501	2.0
133.10100	0.6
139.89330	0.4
149.05949	0.7
153.13895	1.7
167.15436	42.0
184.07330	1.8
209.16473	0.4
230.12817	0.6
248.14021	1.4
253.19115	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75571	0.3
54.33661	0.3
55.05514	1.9
57.07086	0.6
58.02826	0.4
67.05506	1.6
69.07062	1.8
79.35849	0.4
81.07050	1.6
91.05481	0.5
93.07022	1.0
95.08620	5.3
97.10194	0.7
105.07034	2.3
105.84067	0.4
107.08598	2.2
109.10178	3.7
119.08586	10.7
121.10132	2.7
123.11710	0.7
129.06909	0.4
131.08565	2.2
133.10139	5.6
135.11679	0.4
141.06978	0.7
143.08554	1.6
145.10121	5.7
147.11697	2.4
155.08565	3.3
156.09343	0.5
157.10133	4.5
159.11684	9.3
168.09363	0.6
169.10123	8.0
171.11697	5.7
173.13217	2.3
177.47249	0.4
181.10173	0.6
182.10788	1.8
183.11682	13.0
183.13251	0.5
185.13232	2.1
195.11707	2.7
196.12434	0.6
197.13275	9.6
209.13263	2.6
210.14053	5.4
211.14838	8.5
217.19484	0.6
223.14746	2.0
224.15628	4.0
225.16389	3.3
238.17107	5.4
253.19502	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2523
Annotation	Civetol
Peak:m/z	Relative Intensity
51.15231	1.5
51.51862	1.6
53.00332	1.7
55.05525	14.2
55.57594	1.3
57.03431	2.0
57.07084	82.9
59.04998	2.7
67.05511	29.3
69.07070	16.5
71.08633	100.0
73.06540	2.6
81.07059	67.5
83.08625	21.0
85.06546	2.4
85.10176	27.6
95.08601	73.8
97.10168	17.2
109.10161	26.8
111.11731	4.3
123.11708	18.1
127.11175	3.1
132.79182	1.9
137.13232	9.7
141.12743	24.9
155.14297	28.0
157.00186	1.7
162.99039	1.5
174.03911	2.0
191.50694	2.0
235.24187	9.4
240.67607	1.8
253.25244	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	253.2525
Annotation	Civetol
Peak:m/z	Relative Intensity
54.44323	2.3
55.05515	17.6
56.14961	2.6
57.06824	4.5
57.07086	85.8
67.05514	26.3
69.07066	25.7
71.08636	100.0
81.07063	91.3
83.08621	19.3
85.06527	4.8
85.10181	31.0
91.32151	3.5
95.08615	64.8
97.10160	16.5
109.10157	28.1
111.11712	3.8
123.11714	21.4
126.67455	2.9
137.13258	6.1
141.12740	26.0
146.30196	3.1
155.14291	29.4
177.15216	2.8
188.60991	2.9
192.90659	3.2
206.98718	5.7
210.63828	3.0
212.93538	3.0
235.24141	5.2
236.20844	5.0
253.25375	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	253.2524
Annotation	Civetol
Peak:m/z	Relative Intensity
53.34408	2.6
55.05511	7.3
57.07082	100.0
61.79994	2.8
67.05505	34.7
67.38497	3.1
69.07070	29.5
71.08640	38.8
73.15351	2.8
81.07063	40.1
83.08612	20.3
85.10187	39.1
85.12476	3.2
89.67422	4.0
90.11247	2.9
95.08609	48.0
97.10166	18.9
99.08085	19.9
109.10175	35.0
113.09645	35.3
116.71417	3.6
123.11724	13.1
127.11186	35.5
131.03156	3.8
137.13269	5.5
151.14832	5.0
164.97954	3.3
212.20078	4.0
229.39668	3.4
235.24353	13.6
236.16309	3.7
253.25313	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	253.2524
Annotation	Civetol
Peak:m/z	Relative Intensity
55.05525	20.2
57.07082	72.9
62.12605	2.4
67.05518	35.8
67.09287	2.3
69.07079	32.4
71.04995	3.4
71.08634	100.0
73.06568	2.9
74.20571	2.8
78.12705	2.4
79.05515	5.4
81.07065	85.0
83.08643	22.2
83.09039	2.6
84.38778	2.7
85.06498	3.2
85.10171	24.1
85.83351	2.9
92.21219	4.0
93.07017	3.4
95.08604	74.7
97.10167	14.4
105.07050	6.3
107.08627	3.3
109.06546	5.0
109.10161	27.8
111.11702	4.2
119.08609	2.9
121.10143	2.8
123.11697	19.1
133.10156	3.3
137.13237	11.7
141.12737	37.5
143.08499	4.0
155.14328	25.3
157.10083	4.9
169.10176	13.7
183.11635	16.6
197.13298	12.3
204.52718	3.9
206.68811	3.1
211.14830	3.2
218.19958	3.3
238.17264	3.9
253.19470	67.7
253.25339	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	254.0658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89537	0.2
52.69687	0.2
55.05502	0.3
58.72530	0.1
65.03941	1.2
69.07043	0.2
70.02946	1.1
74.00669	0.2
74.02428	0.3
81.07036	0.2
83.08603	0.2
87.02691	1.3
87.29639	0.2
88.03992	1.7
92.10804	0.2
92.11478	0.2
93.03372	0.3
97.53592	0.2
98.97590	0.7
116.03452	0.9
116.98592	0.3
120.01173	0.8
120.04454	2.3
120.08068	0.6
121.02868	100.0
134.04480	2.7
139.03914	0.8
147.02957	0.2
147.11711	0.3
149.09677	0.2
158.99664	0.3
165.04030	1.9
177.56683	0.2
208.01279	0.4
208.06113	0.2
236.05515	1.7
242.12885	0.2
254.06577	2.0
254.08830	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	254.087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10688	1.1
55.01883	1.7
55.04426	1.1
58.67373	1.3
60.04536	2.6
61.02932	3.1
64.09111	1.3
70.06583	2.4
71.01353	35.3
75.04477	10.9
75.12096	1.2
85.02888	1.7
86.09702	2.0
101.02383	3.5
103.03945	25.0
110.07184	1.6
111.00832	1.6
112.96715	1.5
113.02407	2.6
116.03445	2.5
116.46567	1.4
117.01810	2.2
119.03451	1.7
120.05283	1.9
127.00261	5.2
129.01846	6.1
131.03398	52.9
131.04338	2.4
133.04985	2.8
136.07538	12.3
137.07921	17.8
141.01819	7.9
143.03403	1.8
145.01233	1.9
145.04951	8.8
148.04723	1.4
157.04958	20.9
159.02881	100.0
163.05980	2.9
165.05537	1.7
173.04543	2.0
176.05508	1.8
180.05212	1.5
183.08475	3.4
191.05498	14.7
191.06964	1.6
201.03954	2.3
208.14380	2.1
219.05005	61.1
237.06079	6.4
254.11861	3.2
254.14986	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	254.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33137	0.7
55.05519	15.9
55.23492	0.6
66.15098	0.8
66.20071	0.8
67.21297	0.6
68.97708	0.7
69.07085	7.3
71.08585	0.8
72.10747	0.7
73.02927	1.4
74.00667	20.3
77.36240	0.8
78.96785	1.1
81.07061	8.8
83.08626	24.5
85.01133	1.4
87.02696	91.6
88.03996	5.4
92.01696	1.0
94.37735	0.9
98.48120	0.8
99.08089	4.2
99.46380	0.9
101.04231	0.9
103.05830	1.8
104.98312	10.1
113.04256	2.1
119.07285	2.3
119.77210	0.9
120.01161	46.5
120.04474	6.1
121.01418	17.0
131.05255	4.1
136.97292	1.5
147.02972	19.6
153.99898	0.9
165.04031	100.0
208.08249	4.4
254.08754	13.8
264.89450	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	254.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	12.6
56.96556	0.6
60.33029	0.5
60.78433	0.6
67.23582	0.6
67.81858	0.6
69.07059	6.0
73.02929	1.0
74.00674	22.6
78.96774	1.1
79.05502	1.1
81.07066	10.3
83.08627	24.9
85.01149	2.5
87.02695	86.7
88.03990	4.9
92.21526	0.7
93.07106	0.7
97.02857	0.7
97.06531	1.0
98.97587	8.7
99.08097	6.5
101.04248	1.0
103.05817	2.8
104.98321	9.4
105.07034	1.2
107.83511	0.7
113.04222	3.9
115.05785	1.3
116.98618	2.9
119.07301	3.2
119.08565	1.4
120.01166	43.5
120.04462	15.0
121.01442	19.5
121.02840	10.7
131.05264	3.3
147.02975	17.3
147.11691	3.3
153.99930	1.2
158.99635	4.8
165.04036	100.0
174.41994	0.7
177.00743	3.7
193.50076	0.7
207.13826	3.9
208.08324	3.8
213.07835	2.6
222.08287	4.2
250.59654	0.8
254.08789	16.6
254.11497	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	254.087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10688	1.1
55.01883	1.7
55.04426	1.1
58.67373	1.3
60.04536	2.6
61.02932	3.1
64.09111	1.3
70.06583	2.4
71.01353	35.3
75.04477	10.9
75.12096	1.2
85.02888	1.7
86.09702	2.0
101.02383	3.5
103.03945	25.0
110.07184	1.6
111.00832	1.6
112.96715	1.5
113.02407	2.6
116.03445	2.5
116.46567	1.4
117.01810	2.2
119.03451	1.7
120.05283	1.9
127.00261	5.2
129.01846	6.1
131.03398	52.9
131.04338	2.4
133.04985	2.8
136.07538	12.3
137.07921	17.8
141.01819	7.9
143.03403	1.8
145.01233	1.9
145.04951	8.8
148.04723	1.4
157.04958	20.9
159.02881	100.0
163.05980	2.9
165.05537	1.7
173.04543	2.0
176.05508	1.8
180.05212	1.5
183.08475	3.4
191.05498	14.7
191.06964	1.6
201.03954	2.3
208.14380	2.1
219.05005	61.1
237.06079	6.4
254.11861	3.2
254.14986	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	254.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13761	0.3
60.05643	0.4
68.04630	0.3
69.04554	0.5
69.12138	0.3
72.57495	0.3
82.70611	0.3
84.05616	0.4
84.18230	0.3
95.00504	0.3
96.05619	14.1
97.06392	0.7
97.61006	0.3
98.07186	1.5
98.65137	0.3
110.07179	6.0
112.05064	0.5
119.06042	0.3
120.08098	0.6
121.65967	0.3
122.07164	1.5
124.05074	19.8
124.08597	0.5
124.45935	0.3
125.05824	1.7
126.06627	0.5
131.08568	0.7
134.07162	0.6
135.08014	0.5
136.08691	1.5
137.09492	1.2
138.06625	1.6
138.12804	0.5
148.08694	0.5
148.11180	3.7
151.11015	0.4
152.08214	0.6
152.11865	0.5
163.12302	0.3
164.11815	0.4
175.96663	0.4
176.10721	0.6
180.14951	17.7
190.12082	0.3
190.13390	17.8
192.14952	32.5
194.11716	2.1
200.11810	0.4
208.14453	64.4
218.12877	5.9
226.15471	0.7
236.13930	87.2
254.14983	100.0
259.13065	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	254.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	3.1
56.54730	1.7
67.05521	14.1
68.60534	1.7
69.07069	4.3
71.05011	3.4
72.44390	1.6
79.05500	18.3
81.07072	37.6
83.05026	2.0
83.08631	8.4
84.11976	2.0
85.06547	3.2
88.28558	2.4
91.05489	19.6
93.07038	26.3
95.04926	2.6
95.08602	24.2
97.06525	13.9
99.08124	4.0
105.07042	13.8
107.04957	29.3
107.08585	13.9
109.06521	4.2
109.10129	4.4
117.07021	21.3
119.04918	4.5
119.08605	10.6
121.06505	75.9
121.07360	4.0
121.10120	2.8
123.04468	4.0
123.08054	10.0
125.05908	3.1
126.09089	2.6
131.08603	18.8
133.06502	17.4
133.10123	3.0
135.08057	75.6
135.11713	3.6
137.05989	2.6
137.09621	2.7
141.06992	12.9
145.06477	2.6
145.10155	4.6
149.13298	9.3
155.08563	8.1
156.74214	2.0
157.10056	14.3
159.08043	4.4
159.11699	28.8
160.71550	1.9
173.13263	48.2
177.12776	2.4
183.11713	30.9
191.14223	20.5
201.12752	70.3
201.14513	3.9
209.15349	2.6
218.15433	9.5
219.13808	100.0
236.16432	53.4
237.14809	8.6
251.93782	1.9
254.17482	13.9
254.19856	7.3
255.15904	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	254.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15277	0.9
55.01871	1.3
55.05518	24.8
57.03426	1.6
57.07086	35.5
61.94358	0.9
62.10137	1.1
64.56521	1.2
67.05508	13.0
69.07072	65.5
71.08633	21.8
72.08155	5.7
72.17603	1.2
79.05482	8.4
81.07065	24.8
83.04991	3.1
83.08627	65.5
85.06528	1.6
85.10159	9.0
86.06070	9.7
86.09715	1.7
93.07058	15.1
94.40631	1.1
95.08599	26.1
97.06525	17.3
97.10169	48.7
99.08186	1.1
100.07606	22.2
102.35685	1.1
102.85238	1.3
107.08607	14.2
109.10170	15.6
109.65828	1.1
111.08093	14.7
111.11732	13.9
114.09173	17.2
121.10133	24.3
123.11703	10.0
125.09654	8.5
125.13293	2.6
127.11213	1.4
128.10703	8.1
135.11682	23.5
137.13261	5.3
139.11150	6.0
142.12265	5.2
149.13268	15.4
153.12706	3.0
156.13826	1.9
163.14764	12.3
177.16307	1.9
198.18604	1.3
212.23683	2.6
219.21085	31.5
237.22134	29.3
254.24763	100.0
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
55.05522	34.9
57.03436	2.8
57.07086	39.6
67.05501	14.4
69.07070	73.0
70.73278	2.6
71.08627	26.9
72.08159	5.9
79.05493	7.2
79.10320	2.9
81.07059	37.3
81.98064	2.8
83.08624	85.4
85.10183	13.0
86.06068	14.9
86.40356	3.1
93.07048	21.2
95.08620	28.0
97.06517	18.6
97.10168	48.0
100.07619	19.1
107.08609	15.5
109.10150	20.1
111.08086	19.4
111.11710	13.5
114.09168	22.4
121.10139	20.4
123.11694	5.9
125.09663	6.6
128.10719	5.7
135.11688	27.4
139.11176	7.6
139.32364	3.5
149.13252	19.1
163.14909	4.4
175.32547	3.4
176.53868	2.9
219.21069	24.5
237.22098	20.8
254.20520	3.7
254.24754	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	32.3
57.06817	3.4
57.07082	47.4
58.68016	2.1
67.05505	14.5
68.34490	2.0
69.07076	73.1
71.08630	25.4
71.51333	1.8
72.04541	2.3
72.08142	8.6
79.05495	9.0
81.07053	27.9
83.04973	4.6
83.08628	82.7
85.10176	9.3
86.06057	13.2
86.09705	3.9
88.46122	2.0
93.07053	20.6
95.08610	31.8
97.06551	15.5
97.10170	60.2
100.07597	31.0
107.08617	17.1
109.10168	21.7
111.08099	17.1
111.11721	16.6
114.09178	18.5
121.10126	20.3
123.11709	10.2
125.09592	11.2
125.13243	2.3
125.24860	2.2
127.11200	2.6
128.10712	13.9
135.11691	29.3
137.13223	3.8
139.11192	14.0
142.12262	7.8
149.13258	13.0
153.12691	2.1
156.13933	3.2
163.14830	8.8
170.15462	2.6
177.16341	2.7
180.84023	2.2
184.17070	2.7
219.21022	37.4
237.22098	29.5
254.24776	100.0
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
50.33079	2.7
53.73344	2.8
54.33703	2.7
55.05519	36.3
57.07082	47.7
59.19639	3.2
62.74255	3.5
67.05517	17.5
69.07074	73.4
71.08643	24.4
72.08200	4.3
73.82099	3.1
79.05470	2.9
81.07079	30.0
83.08625	64.5
86.06059	14.9
93.07040	14.6
95.08631	30.2
97.06542	17.2
97.10166	52.3
100.07619	19.9
107.08580	21.5
109.10165	14.1
111.07353	3.1
111.08080	20.0
111.11707	6.8
114.09164	21.2
121.10178	23.7
123.11736	13.1
125.09625	4.8
125.13316	4.3
128.10704	6.5
135.11684	26.5
137.13245	5.4
139.11188	3.5
149.13264	19.6
157.79892	3.6
163.14822	4.9
177.16342	4.3
219.21112	32.6
237.21997	27.0
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	255.0013
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	7.7
57.03440	29.5
61.02923	5.6
69.03419	18.8
71.04983	14.9
73.02904	18.4
75.04443	3.8
81.03410	19.6
85.02923	31.1
86.03708	24.8
87.04461	8.5
91.03936	3.5
93.05520	3.5
97.02876	4.3
98.97586	13.4
99.04466	13.4
100.05235	20.3
100.99132	6.4
101.80824	3.0
109.02887	23.0
110.01231	4.1
110.07140	6.9
110.97523	6.9
112.99112	4.5
115.97794	3.7
116.98617	4.7
117.02035	16.3
119.01833	8.4
123.05544	19.5
125.01786	4.9
126.02546	7.4
128.02293	3.7
128.98544	6.7
131.00189	6.4
132.02623	3.7
135.03061	6.9
136.02728	4.0
137.01816	3.5
138.02547	4.0
139.01601	4.2
143.00130	6.4
144.02536	6.8
144.98090	6.3
145.01517	8.2
145.03339	17.2
146.02295	5.8
147.03096	15.1
151.03262	7.7
153.03128	6.5
154.02081	12.0
154.03867	8.2
156.07680	5.9
160.03806	3.7
161.01338	3.7
161.02829	17.8
162.03824	4.6
165.00847	4.5
170.03299	4.5
170.99632	3.8
172.04761	4.3
173.01201	8.3
177.00725	3.7
180.03625	5.0
189.04070	7.6
191.02312	5.3
198.04648	13.9
201.00667	6.9
205.05527	7.6
207.05177	27.6
208.27419	3.1
208.99738	16.1
214.05940	43.0
215.02258	17.9
216.05804	3.7
223.06500	35.8
232.07036	100.0
233.03154	4.3
251.04329	13.2
255.00110	34.2
255.07857	4.9
259.98029	3.6
269.05368	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	255.0013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01904	6.0
57.03445	15.5
61.02918	7.1
69.03424	11.4
73.40182	6.9
78.16030	7.9
78.89303	7.3
81.03413	12.1
85.02895	17.3
91.03973	9.9
104.10754	9.4
109.02882	16.1
110.01299	8.3
110.07129	25.8
110.35466	7.4
123.05547	32.6
126.02604	8.4
135.03104	8.2
137.32428	7.0
146.99762	7.2
154.03932	12.2
156.07732	10.0
159.27600	7.4
161.02803	10.4
189.05951	10.1
190.06314	10.6
207.05090	8.1
213.58194	7.5
214.06111	28.3
223.06497	14.2
231.07147	12.7
232.07079	100.0
255.00041	70.9
269.05319	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	255.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.0
57.03446	15.2
58.73071	0.8
69.07052	1.4
70.63342	0.8
75.04500	6.7
79.05483	1.0
81.07098	1.2
81.11113	0.8
91.05484	6.7
93.07037	3.5
96.04510	1.0
103.05467	23.0
105.03385	1.2
109.06548	1.3
110.03679	8.8
119.04930	20.3
121.06505	9.4
122.03725	0.8
123.04427	18.7
123.83684	0.7
124.05214	5.9
124.06081	0.9
131.04929	100.0
135.08023	2.0
137.05972	26.3
137.06937	1.6
138.05688	1.7
138.06758	38.9
147.04443	1.6
148.05191	1.3
151.07523	11.8
152.87407	0.8
163.07523	28.1
166.06236	40.9
175.07605	1.0
179.07024	5.4
180.07823	1.0
181.08592	23.5
207.10205	0.9
210.12495	0.8
237.11266	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	255.1451
Annotation	CHEBI:59962
Peak:m/z	Relative Intensity
56.05039	2.1
57.03442	0.9
57.07054	0.6
61.02934	0.7
64.88497	0.4
67.05532	0.4
69.07068	0.5
69.93466	0.4
70.06573	0.8
72.08157	42.4
81.07066	0.6
84.08128	0.7
85.02897	0.6
86.09719	1.2
87.05614	0.6
91.03944	0.6
91.69229	0.4
93.05513	0.5
96.04495	3.1
98.06055	2.9
98.09690	10.4
106.87343	0.5
108.08131	0.7
110.07146	0.7
110.96742	0.5
112.05096	1.0
113.07101	1.8
114.10294	2.7
116.30092	0.5
123.05599	0.8
124.03991	4.5
125.09656	0.7
126.10255	0.7
140.11830	72.1
141.06583	1.2
142.04935	2.4
149.73752	0.5
158.05608	9.9
159.07660	2.3
168.05548	0.6
195.08421	0.8
195.11353	0.5
210.16074	1.0
212.10294	1.1
232.02684	0.8
237.13567	0.5
238.11841	1.1
255.14531	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1589
Annotation	Aspergillide B
Peak:m/z	Relative Intensity
53.03943	2.5
55.01880	2.7
55.05518	20.3
57.03186	3.1
57.03447	56.2
57.07079	2.7
62.03874	1.8
67.05511	78.7
69.07079	28.6
71.01364	4.4
71.04999	4.8
72.59435	1.8
79.05503	83.9
81.03428	12.4
81.07061	34.5
83.04985	23.5
83.08636	8.2
85.06536	3.7
91.05485	19.7
93.07047	95.8
93.43076	1.9
93.48480	2.0
95.04956	4.7
95.08611	11.0
97.06525	22.5
97.10169	18.3
99.08106	3.5
105.07014	3.5
107.08601	60.7
109.10177	9.4
111.08091	3.7
117.07001	4.5
119.08607	19.2
121.10122	14.1
125.09624	3.0
133.10104	7.6
135.11703	100.0
135.59715	2.2
137.09637	7.9
145.10117	17.4
163.11209	13.5
170.03090	1.9
181.12154	13.8
187.03078	2.0
255.15839	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	255.1588
Annotation	Aspergillide B
Peak:m/z	Relative Intensity
51.05899	2.0
55.01871	3.1
55.05511	15.1
57.03182	3.6
57.03442	55.5
57.07077	2.9
67.05508	82.8
69.07065	24.1
71.01350	4.2
71.05004	3.8
79.05068	2.5
79.05495	68.6
81.03412	13.5
81.07059	38.4
83.04987	27.2
83.08609	4.9
85.06527	10.1
88.41643	2.4
91.05472	26.7
93.07040	100.0
95.04967	5.4
95.08607	10.8
97.06542	22.2
97.10166	23.3
105.07011	2.5
107.04916	2.7
107.08586	68.1
109.10149	11.9
111.08037	2.6
117.07026	9.2
119.08586	10.0
121.06532	2.9
121.10149	5.8
125.17207	2.4
135.11688	89.9
145.10127	19.0
145.85962	2.3
149.27522	2.3
163.11156	13.6
165.96359	2.3
181.12215	13.0
255.13257	3.6
255.15868	87.5
255.21080	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	255.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	5.0
57.07084	22.8
67.05501	6.7
69.07069	4.2
71.08636	7.2
79.05493	1.6
81.07054	7.0
83.04984	4.2
83.08614	5.8
91.05481	1.7
93.07038	5.7
95.04971	2.3
95.08614	27.5
97.10190	1.8
105.07034	1.4
106.61930	1.1
107.08595	17.5
109.06535	1.8
109.10157	100.0
119.08571	6.5
121.06511	2.3
121.10144	33.2
123.08062	5.4
123.11713	16.5
133.10123	6.9
135.11696	23.7
136.02983	1.0
137.09618	91.6
137.13231	8.8
139.11133	1.5
145.10165	1.8
146.07896	1.1
151.11168	24.0
154.08534	1.2
155.10660	15.5
161.13304	1.2
163.11206	10.7
163.14761	12.2
165.16385	57.8
166.44044	1.0
175.14786	5.9
181.12175	4.4
187.07599	1.1
193.15881	80.1
207.08076	5.4
207.17476	1.9
211.16919	74.5
237.18489	7.1
255.13789	1.8
255.17444	2.9
255.19508	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	256.0814
Annotation	Nicotinate D-ribonucleoside
Peak:m/z	Relative Intensity
55.01884	2.0
57.03442	3.8
59.04994	0.2
61.02923	1.0
69.03411	1.6
71.01353	1.1
73.02922	3.9
83.20320	0.2
84.04543	0.2
84.52364	0.2
85.02906	2.6
87.04476	0.4
96.04508	0.2
97.02899	1.5
102.29086	0.2
103.03946	0.5
110.07150	0.4
115.03932	2.4
124.03954	100.0
131.46031	0.2
133.04979	3.5
141.78810	0.2
155.08231	0.4
183.23407	0.2
256.08148	0.5
256.12961	0.3
256.26294	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	256.0813
Annotation	Nicotinate D-ribonucleoside
Peak:m/z	Relative Intensity
55.01880	2.2
57.03232	0.2
57.03449	4.1
59.05004	0.2
61.02930	0.5
69.03432	1.5
71.01360	0.5
72.31554	0.2
73.02909	3.6
76.75990	0.3
80.05034	0.5
82.14405	0.2
85.02901	3.6
87.04452	1.1
96.04515	0.3
97.02887	2.0
100.02504	0.4
100.54375	0.3
103.03954	1.2
110.07162	0.6
111.07545	0.4
115.03235	0.3
115.03922	2.7
117.04008	0.3
124.03952	100.0
131.05508	2.3
133.04959	3.7
136.37050	0.2
145.03520	0.4
149.06596	2.9
150.05495	3.4
155.08116	0.4
158.01262	0.4
165.06587	0.4
167.03296	0.2
176.02318	0.5
178.05000	1.2
180.98814	0.3
202.66350	0.2
210.08827	1.1
219.21475	0.2
233.04926	1.5
239.06688	0.5
256.09390	4.0
256.12158	0.4
256.12598	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	256.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75025	0.2
54.01563	0.2
57.03463	0.2
60.04539	0.2
60.66670	0.2
69.03433	0.2
70.06603	1.3
71.05006	0.4
72.08176	0.4
72.45670	0.2
79.05516	0.2
79.29258	0.2
80.05046	1.3
81.07082	0.3
84.04540	0.2
84.08179	0.6
85.02915	0.2
86.06084	0.2
86.09709	0.5
87.04462	0.3
88.04035	0.2
90.94816	0.2
96.04520	1.0
97.06538	0.9
98.06136	0.2
110.06118	0.3
110.07170	0.4
114.06672	0.3
115.03876	0.2
115.62033	0.2
120.08081	0.2
122.02357	0.2
124.03957	100.0
129.10229	0.4
131.97461	0.2
132.95856	2.3
133.04990	0.4
136.05060	0.2
141.10295	0.2
149.96161	0.4
150.07460	0.9
150.96902	2.5
154.04944	0.2
160.07153	1.4
165.06596	0.3
166.06961	0.4
167.97064	0.2
168.05423	0.2
173.98402	0.3
178.04962	0.2
182.04367	0.3
191.97151	2.5
191.99527	0.3
209.98158	0.3
210.07524	0.3
210.14111	0.3
214.98674	0.3
224.06807	0.3
232.99500	0.5
233.05910	0.3
238.14085	0.3
239.12346	0.2
256.05490	0.4
256.08066	10.6
256.12714	4.1
256.26260	1.1
261.35208	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	256.1293
Annotation	HC Blue No.1
Peak:m/z	Relative Intensity
50.89208	0.6
56.05043	1.4
60.05655	1.2
68.05037	16.9
70.06609	2.4
72.04535	0.9
79.01859	0.7
84.08147	1.0
86.09703	3.3
87.04471	42.7
91.05484	1.1
93.19675	0.7
96.04502	17.2
97.06531	3.5
105.03458	0.7
110.07164	0.9
114.05554	1.6
124.03963	4.4
125.65874	0.6
128.07083	97.1
129.06581	4.9
132.95876	3.7
150.96931	3.3
153.06624	0.8
156.07739	1.1
160.07188	6.8
181.13449	1.2
191.97221	3.3
199.14308	0.8
256.12949	100.0
256.15475	6.0
256.26291	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	256.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	6.0
57.03451	0.9
61.02909	0.6
68.05048	0.6
69.03437	0.5
70.06581	2.7
72.08157	1.0
73.02905	2.2
83.06120	4.7
83.08624	0.9
84.05638	1.3
85.02878	2.1
87.04464	0.5
93.04534	2.2
93.42484	0.5
95.06096	16.6
97.02912	0.7
98.97588	0.7
99.04439	0.6
109.02845	0.5
110.07171	95.4
112.08733	6.8
112.96333	0.5
115.03907	0.7
119.01956	0.6
122.05911	0.6
124.03961	22.3
129.10268	0.7
132.95860	2.0
139.05020	0.9
145.04977	0.8
150.96906	2.8
156.07677	21.3
171.01402	8.2
173.04904	0.7
173.06705	0.6
182.14120	2.0
191.05830	0.9
191.97166	2.3
195.14928	2.8
210.16016	48.9
211.14436	2.8
212.17654	2.0
228.18198	0.7
232.99619	0.8
233.06844	0.6
233.26453	0.5
239.06612	0.8
256.10452	8.5
256.16556	100.0
256.26355	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	256.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68957	0.6
54.01178	0.7
54.79752	0.6
55.05507	2.9
57.03437	0.9
57.33604	0.6
60.40349	0.7
62.06096	100.0
67.05508	12.4
69.07069	4.9
74.64520	0.8
78.06226	0.8
79.05481	7.3
81.07059	17.1
83.04986	1.3
83.08620	3.6
91.05495	4.3
93.07045	11.1
95.08628	3.5
97.06526	1.8
104.68694	0.8
105.07021	1.0
107.08587	5.8
117.07083	1.1
118.67670	0.8
121.10140	1.9
123.11732	1.5
128.47417	0.8
131.08553	1.9
133.10097	3.4
135.11674	1.0
149.13251	5.9
150.96906	0.9
159.11703	3.6
160.37943	0.9
162.79349	0.9
172.41931	0.7
191.97116	0.9
215.51004	0.8
238.18002	76.4
239.16400	11.7
256.19055	8.8
256.26282	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	256.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68957	0.6
54.01178	0.7
54.79752	0.6
55.05507	2.9
57.03437	0.9
57.33604	0.6
60.40349	0.7
62.06096	100.0
67.05508	12.4
69.07069	4.9
74.64520	0.8
78.06226	0.8
79.05481	7.3
81.07059	17.1
83.04986	1.3
83.08620	3.6
91.05495	4.3
93.07045	11.1
95.08628	3.5
97.06526	1.8
104.68694	0.8
105.07021	1.0
107.08587	5.8
117.07083	1.1
118.67670	0.8
121.10140	1.9
123.11732	1.5
128.47417	0.8
131.08553	1.9
133.10097	3.4
135.11674	1.0
149.13251	5.9
150.96906	0.9
159.11703	3.6
160.37943	0.9
162.79349	0.9
172.41931	0.7
191.97116	0.9
215.51004	0.8
238.18002	76.4
239.16400	11.7
256.19055	8.8
256.26282	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	256.2632
Annotation	Palmitic amide
Peak:m/z	Relative Intensity
57.07074	7.4
71.08626	1.4
74.06072	3.5
88.07627	17.5
93.63586	0.8
99.48033	0.9
102.09176	9.1
116.10737	1.9
130.12248	0.9
145.47314	0.9
157.98582	1.0
256.26321	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	256.2635
Annotation	Palmitic amide
Peak:m/z	Relative Intensity
57.07082	3.7
70.06588	2.1
71.08633	1.5
73.54372	0.3
85.10175	0.7
85.18303	0.3
88.07631	9.1
102.09176	1.2
106.46516	0.3
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	256.2634
Annotation	Palmitic amide
Peak:m/z	Relative Intensity
53.58098	0.3
57.07084	4.4
63.35552	0.3
64.53246	0.3
70.06599	2.3
70.39433	0.3
71.08624	1.9
85.10184	1.3
88.07634	11.0
93.99799	0.3
100.07604	1.2
102.09183	0.8
145.62569	0.4
212.16585	0.3
256.26340	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.2997
Annotation	N-Methyldioctylamine
Peak:m/z	Relative Intensity
53.64084	0.3
57.07072	2.4
58.62353	0.4
60.08172	8.8
68.82803	0.3
71.08630	2.2
74.09702	0.5
77.03918	0.4
78.66888	0.4
85.10186	0.8
132.95816	0.9
135.40193	0.4
150.96820	1.7
191.97159	2.9
198.89943	0.5
247.36855	0.4
256.26398	8.8
256.29984	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.2997
Annotation	N-Methyldioctylamine
Peak:m/z	Relative Intensity
57.07083	2.2
58.06606	0.5
60.07868	0.4
60.08170	7.5
63.84391	0.2
65.24914	0.2
71.08627	1.4
79.62164	0.2
85.10191	0.5
88.07600	0.3
108.28107	0.3
118.00407	0.2
123.90029	0.2
130.52419	0.2
132.95831	1.1
150.96924	0.9
191.97215	0.5
256.29984	100.0
272.41992	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	256.9643
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39861	21.4
58.89022	22.6
88.58590	23.7
98.97591	33.0
116.98663	35.2
128.00684	25.3
132.56207	26.5
132.95860	38.2
134.99571	33.5
137.29105	23.9
139.01842	42.2
144.02382	100.0
150.96898	34.6
155.97385	48.0
162.03452	37.2
173.98460	51.0
192.97636	28.8
248.67039	25.0
252.20103	25.1
257.26535	44.5
260.10742	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	257.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37235	0.7
56.92237	0.6
66.37415	0.6
67.05513	1.4
74.47971	0.7
81.03412	0.9
81.07064	1.4
91.05490	1.6
95.08633	1.7
107.04969	1.1
109.10162	1.2
111.04485	0.8
117.03361	3.5
119.04932	6.2
119.08578	0.8
121.00764	1.1
123.04412	3.3
123.11683	0.7
131.08583	1.1
137.02347	100.0
140.40784	0.7
144.02382	0.8
145.10141	3.6
147.04417	44.5
155.03314	1.7
157.10089	1.2
159.11775	1.6
162.03462	1.7
163.03891	3.0
167.00476	0.8
169.06500	0.8
171.07970	1.3
183.08124	1.3
183.11754	0.8
185.13271	1.6
191.57919	0.7
197.06075	0.8
197.13457	0.7
211.07552	7.9
239.06970	6.7
239.17911	1.0
242.05731	4.6
257.08084	95.5
257.12540	2.5
257.19171	6.9
257.22668	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	257.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43416	0.6
56.05031	0.7
56.46788	0.5
63.06994	0.6
67.05485	0.5
67.64732	0.5
72.01760	0.6
74.92068	0.6
75.43864	0.5
81.03420	2.5
86.06026	0.7
91.05442	0.7
95.04976	0.6
96.05602	0.7
105.22949	0.7
107.05006	0.9
109.10129	0.7
111.04446	0.9
117.03365	3.7
119.04932	7.9
123.04401	3.9
136.06171	3.9
137.02344	100.0
139.01862	1.1
147.04414	44.8
147.75085	0.6
155.03380	2.6
163.03896	2.8
165.06926	0.9
183.08051	1.2
197.06062	0.7
211.07425	5.1
214.90518	0.7
215.07011	0.8
239.07068	7.6
239.12584	0.9
242.05678	3.9
257.08066	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	257.0898
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06435	1.7
56.05055	2.1
64.05370	1.7
65.72023	1.6
66.95436	1.6
70.06620	1.6
70.79256	1.6
78.93668	1.8
86.09741	3.5
87.74653	1.8
88.50005	2.0
95.08642	3.8
107.04983	2.3
109.10144	2.4
119.04947	4.5
121.40797	1.7
123.04417	2.2
137.02347	100.0
139.01839	4.0
144.02380	2.1
147.04405	44.4
147.05478	3.3
162.03474	3.8
183.08008	2.1
211.07524	4.6
239.06982	8.0
239.97017	2.1
242.05899	2.0
243.74005	1.9
257.08072	75.7
257.18726	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	257.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.7
62.06084	3.8
62.20697	0.6
65.03941	1.0
67.05493	3.1
69.07069	2.6
72.88483	0.5
78.07013	0.5
80.47530	0.5
81.07059	3.2
82.02949	1.4
92.05003	4.0
93.07057	0.6
94.06546	1.0
95.08582	2.4
97.06521	1.1
98.52412	0.6
99.08085	0.7
109.10147	1.4
120.04433	4.9
121.10130	0.8
122.06030	4.3
131.08563	2.8
136.07584	1.3
143.08585	0.8
143.60051	0.6
145.10139	1.1
146.90266	0.5
157.10098	0.8
158.05981	0.7
159.11703	1.2
160.07564	2.3
169.08859	3.1
172.09895	1.4
173.08499	0.8
173.13281	0.8
183.06772	1.2
183.09235	1.0
184.07541	1.9
184.11195	8.2
185.10684	1.2
186.11485	6.6
186.12923	1.0
187.08665	4.0
196.09933	1.3
197.08340	6.7
198.09247	1.0
199.08524	1.5
200.09422	11.9
201.10175	4.7
201.13879	18.1
211.08650	3.5
211.12274	2.1
212.10724	17.8
213.06590	8.4
213.10242	3.7
214.07402	1.2
214.10799	11.1
224.09390	1.4
227.08118	7.3
228.08893	24.6
229.09866	24.4
229.13348	80.6
230.11732	0.7
239.11760	2.7
239.18259	5.6
240.10181	4.1
241.09694	7.8
242.10483	31.3
257.12836	100.0
257.18896	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	257.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98504	1.7
66.40694	2.0
81.07085	1.9
92.04985	3.2
122.06043	3.5
168.96950	2.1
169.08900	3.3
183.06757	2.9
184.11229	9.9
186.11545	3.2
187.08565	2.4
197.08382	13.2
199.08527	2.6
200.09296	17.2
201.10236	3.8
201.13934	13.7
202.12241	2.6
211.08710	3.4
212.10716	19.6
213.06647	8.4
213.10097	3.5
214.07222	2.4
214.11002	10.2
227.08092	8.3
228.08893	37.1
229.09743	29.0
229.13347	63.7
239.11821	4.0
240.10075	3.1
241.09691	17.8
242.08195	4.5
242.10506	65.5
257.12820	100.0
257.16818	2.7
260.00491	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	257.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31735	0.5
58.22731	0.6
67.05502	1.4
67.53276	0.6
69.07067	0.6
70.04962	0.7
79.05473	0.6
81.07058	2.8
81.79417	0.6
92.04992	1.5
94.06574	0.8
95.08613	3.5
120.04462	4.1
122.06021	2.7
128.05516	0.7
131.08508	0.7
135.06795	0.8
139.01822	0.7
143.08539	0.9
144.02364	1.3
144.08044	0.8
159.11760	0.8
160.07578	2.9
162.03453	0.8
169.08815	1.2
183.09229	1.0
184.07565	2.6
184.11215	6.3
186.11517	4.0
187.08687	6.3
188.10614	1.0
197.08368	6.2
199.08502	1.1
199.10104	1.0
200.09389	7.9
201.10239	3.9
201.13852	14.3
211.08624	2.7
212.10738	15.9
213.06543	5.9
213.10173	0.8
214.10773	7.1
227.08098	3.8
228.08881	11.9
229.09895	16.3
229.13345	69.3
233.44897	0.9
240.10156	3.5
241.09666	3.6
242.10500	12.6
257.12842	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	257.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58536	0.7
67.05497	1.6
74.06108	1.1
79.81001	1.0
109.10165	1.1
137.02318	2.0
144.02382	1.2
149.31471	0.9
156.11307	1.3
170.41187	0.9
257.13580	100.0
257.16132	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	257.1897
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.05503	2.6
57.03420	2.0
61.68176	2.1
67.05502	15.3
69.07038	3.2
75.78096	1.9
79.05482	4.7
81.07063	15.6
83.08614	4.2
91.05469	5.7
93.07021	4.9
95.08606	11.1
98.63893	2.7
105.07020	5.7
107.08599	5.9
107.57500	2.4
109.10120	3.7
117.06996	12.1
119.08569	5.7
129.06964	4.3
131.08549	48.8
133.06476	3.2
133.10132	5.9
143.08568	15.1
145.10136	69.1
147.11685	5.5
155.08545	3.1
157.10135	23.1
159.08037	2.7
159.11694	33.0
161.09622	3.7
169.10100	15.4
171.11702	18.4
173.09605	2.6
173.13275	10.3
183.11697	16.8
185.13216	4.3
187.11145	4.4
188.10170	2.6
197.13255	13.5
199.14841	2.8
201.12825	3.6
211.14816	2.9
229.19574	2.9
239.17952	28.7
257.19003	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	257.1897
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.05515	8.0
57.03434	10.7
57.07086	1.9
61.14361	1.3
67.05506	17.8
69.07059	3.3
71.04971	2.3
74.60869	1.4
78.10606	1.3
79.05512	2.3
81.07064	9.6
83.08639	6.3
91.05491	3.5
91.78626	1.5
93.07029	3.2
95.08627	12.2
97.10149	1.6
99.08087	1.6
100.56664	1.6
102.54552	1.5
105.07013	3.8
106.14878	1.5
107.08595	2.0
109.10181	3.7
117.07019	13.5
119.08595	5.7
129.07001	17.5
131.08563	25.7
133.10147	5.9
137.13272	1.9
141.06972	2.3
143.08548	22.9
145.10117	57.8
147.11719	7.3
155.08557	3.1
157.10129	12.6
159.11688	47.3
161.09581	2.4
169.10133	8.3
171.11676	11.5
173.13263	10.2
183.11710	16.9
185.13254	55.7
187.14778	1.8
197.13264	13.2
197.57362	1.7
199.14729	1.7
201.16412	3.7
211.14859	2.5
229.19484	1.9
239.18053	23.7
257.19016	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1898
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.01864	1.9
55.05511	4.0
56.35893	1.4
57.03441	7.6
57.17099	1.5
62.03100	1.5
67.05512	13.6
67.05800	1.6
67.63976	1.6
69.07062	2.5
78.07391	1.7
79.05497	2.9
81.07062	18.9
85.06545	2.8
91.05463	10.4
93.07075	3.7
95.08607	12.6
99.08099	2.6
105.07030	10.4
107.08611	2.7
112.26633	1.9
117.07027	32.5
119.08568	10.9
121.10140	3.7
124.19958	2.1
129.06992	23.2
131.08574	50.2
133.10124	4.5
141.06976	8.0
143.08557	20.4
145.10126	69.2
147.11636	7.4
149.09613	2.3
155.08525	8.2
157.10143	32.9
159.08025	2.0
159.11693	58.7
161.09492	2.2
169.10147	17.5
171.11670	24.5
173.13281	20.0
175.11227	3.3
183.11713	22.6
185.13261	57.6
186.22952	1.8
197.13271	17.1
199.14838	3.9
201.16364	3.1
210.13976	1.9
211.14832	4.3
213.16354	2.8
229.19452	3.8
239.17953	37.6
244.71796	1.9
257.18988	100.0
257.26599	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	258.0738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01151	3.6
54.59308	3.7
57.03440	5.1
60.05648	4.5
61.97847	4.7
69.03429	20.1
70.06599	5.1
73.02920	26.0
84.04486	7.0
84.08122	5.4
85.02911	25.0
87.49660	5.2
87.59901	5.0
97.02885	10.6
103.37125	4.6
109.02877	5.9
119.01913	11.3
121.08123	4.2
124.03957	7.0
132.18494	4.3
132.95827	6.2
139.53062	5.9
142.58865	4.9
143.01950	10.6
143.05673	35.0
145.03473	30.5
157.03529	7.0
158.97401	7.0
159.05127	4.4
161.05493	5.4
167.02025	4.8
168.05110	22.6
169.03523	27.8
169.68497	5.7
173.02876	10.0
189.02402	6.0
198.96873	6.9
215.07648	8.8
217.02049	7.7
217.04613	30.6
217.06851	100.0
234.98962	26.8
235.06604	8.2
242.50386	5.2
258.00681	6.1
258.08334	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	258.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91844	0.6
58.11720	0.7
59.05006	0.8
60.69060	0.8
68.05022	1.2
69.03435	3.5
72.77576	0.8
80.05006	1.5
83.08616	3.4
84.04534	0.9
85.02918	1.8
86.06086	3.9
86.10511	0.7
87.04472	46.4
94.02936	3.4
96.04497	10.9
97.02886	1.2
97.10168	1.8
101.06014	6.0
108.04483	3.7
108.08130	25.7
110.06061	7.7
112.03960	15.8
113.06020	5.5
124.03994	1.3
124.07601	4.5
126.05509	1.3
127.06274	1.2
128.07063	1.7
136.07582	100.0
138.05510	1.7
140.03436	17.3
142.05031	0.9
152.07079	4.4
164.07056	50.7
166.08629	4.1
172.06047	1.9
180.06546	18.3
182.08173	2.1
196.09688	9.7
198.07643	1.9
208.06017	3.8
214.10738	7.6
234.98967	1.7
238.74721	0.9
240.08684	1.4
258.09686	23.1
258.16946	1.4
277.66104	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	258.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	3.1
55.05512	15.8
57.03440	3.6
57.07091	4.4
61.22840	3.1
67.05510	76.6
68.76320	3.4
69.07069	20.8
71.05003	5.3
75.00769	3.5
79.05486	22.7
81.03399	3.6
81.07058	98.7
83.04971	6.9
83.08640	28.7
85.06558	8.0
86.06104	3.5
91.05482	15.6
93.07039	81.1
95.08601	49.8
97.06507	33.3
99.04485	4.0
99.08115	13.9
100.07658	4.2
104.32986	4.2
107.04979	25.5
107.08618	33.7
109.06524	4.4
109.10128	29.3
111.04429	6.7
111.08074	29.7
117.07018	23.5
119.08605	6.7
121.06567	4.8
121.10151	15.8
123.11672	5.6
124.11185	7.6
126.92129	3.9
131.08527	27.4
132.15453	3.7
133.10139	34.0
135.11713	58.8
149.09503	3.7
149.13251	83.4
152.10683	15.4
153.12750	8.9
159.11685	88.4
163.11147	6.5
173.28137	3.5
177.12735	58.7
181.12253	6.6
185.44691	3.4
187.11244	8.8
191.10721	8.1
191.14066	3.6
194.15385	8.0
195.13792	100.0
205.12256	5.9
212.16475	27.8
213.14839	26.8
222.14842	5.8
222.77849	3.8
227.12874	5.2
231.15891	4.5
231.67757	3.5
240.15904	7.4
241.14400	7.2
258.16922	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	258.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19431	1.0
55.01885	2.0
55.05505	1.4
61.21923	1.2
67.05511	9.5
69.03445	1.1
69.07053	1.6
71.04991	4.9
72.08163	1.1
77.17765	1.0
79.05503	13.1
81.07061	18.9
82.87260	1.1
83.04993	4.9
83.08675	1.7
85.02889	5.1
85.06574	1.3
87.04509	1.3
91.05480	10.3
92.70367	1.2
93.07040	12.0
95.04987	2.0
95.08602	7.2
97.06527	11.1
105.07022	2.1
105.65302	1.1
107.04957	16.1
107.08600	5.3
109.06504	6.7
109.10129	1.8
111.04428	16.7
111.08103	2.7
113.06036	2.8
113.09627	2.3
116.98478	1.0
117.07034	6.6
119.04955	1.7
119.08591	2.6
121.06506	45.9
121.10133	4.5
123.08061	2.5
125.05991	7.1
131.05040	1.3
131.08525	8.8
133.10130	7.3
135.08063	1.9
135.11729	10.0
137.05928	1.6
139.07535	4.8
141.07007	4.7
142.22884	1.3
143.08565	2.1
145.06520	1.5
145.10127	19.7
149.13257	10.9
153.12735	11.7
159.08044	1.3
159.10471	2.3
159.11693	36.5
161.09686	2.0
163.11176	6.3
167.14354	8.1
169.10133	22.1
177.12758	28.5
187.11176	40.0
195.13847	10.4
195.86324	1.3
205.12236	65.4
222.14937	4.4
223.13316	30.4
223.69043	1.3
234.99173	1.6
240.15927	6.5
241.14343	100.0
258.16904	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	258.181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55877	0.5
55.05513	1.2
59.05000	0.6
60.06006	0.5
67.05508	2.8
71.04996	30.1
72.07755	0.8
72.08157	24.8
79.05499	2.6
81.07071	6.5
83.05000	1.3
83.08633	0.9
83.38931	0.6
85.02895	0.8
86.06107	0.7
87.04459	4.1
89.24580	0.6
91.05466	1.2
92.21502	0.7
93.07044	3.5
95.04976	0.6
95.08615	1.4
97.06528	2.9
98.09694	10.7
99.04526	0.6
101.06022	3.7
107.04971	4.1
107.08625	1.1
109.06528	0.7
111.04467	2.9
111.08067	0.8
113.06049	0.7
113.09644	27.4
117.07026	1.1
121.06512	9.8
121.10162	0.6
125.06010	1.1
131.08534	1.4
133.10141	1.2
135.11720	3.3
142.17062	0.6
143.08430	0.7
145.10165	4.7
146.09236	9.8
149.13240	0.8
153.12762	2.5
159.11705	7.1
162.55928	0.7
163.11240	2.8
167.14294	1.3
169.10144	5.1
177.12732	5.6
187.11195	10.6
195.13847	1.4
205.12241	13.3
223.13210	6.5
226.15585	3.0
234.99036	3.0
240.17325	4.3
241.14337	21.6
258.00668	0.9
258.18152	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	258.181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80857	0.7
56.05055	1.1
58.06591	1.0
60.04534	12.2
62.46040	0.7
62.66914	0.9
67.05505	1.7
69.07063	1.8
73.65685	0.7
74.06032	0.9
75.13097	0.8
76.05154	1.4
79.05494	1.7
83.08624	0.8
85.93102	0.7
86.06078	11.6
86.09691	1.1
96.04485	3.4
96.05571	1.5
106.20999	0.8
107.08598	1.9
109.10145	4.5
111.05604	1.2
120.99563	0.8
124.05083	0.9
134.07121	1.5
138.06586	6.6
139.11203	1.0
151.07437	1.0
151.19424	0.8
152.10660	3.4
153.06610	3.4
158.11601	0.8
166.13385	20.5
173.02670	0.8
176.11826	4.4
184.13341	7.8
194.12892	100.0
194.19012	1.9
198.16096	1.4
199.13307	3.6
209.12810	1.1
210.14862	1.1
212.20113	19.3
222.14868	4.1
226.15511	51.9
228.15927	1.4
258.17770	13.0
258.20709	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	258.181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.8
55.05511	0.6
56.05057	0.7
60.05651	0.8
64.95783	0.6
67.05507	3.3
68.03350	0.5
69.07101	0.6
71.04995	27.2
72.08157	21.7
72.08545	0.9
74.35078	0.5
79.05495	2.3
80.14829	0.5
80.21040	0.6
81.03469	0.6
81.07074	7.3
83.04986	2.6
83.08643	0.9
85.02940	0.7
86.06073	0.8
87.04442	4.1
91.05500	2.1
91.74788	0.5
93.07055	3.9
95.08619	2.7
97.06526	4.8
98.09677	8.2
99.08099	0.5
107.04957	5.6
107.08607	1.2
109.06487	0.6
109.10171	1.0
111.04478	3.9
111.08106	1.2
113.06020	1.4
113.09651	19.9
119.08617	0.5
121.06503	8.0
121.10216	0.7
125.06006	3.5
125.09625	1.2
127.07609	0.5
131.08551	1.1
133.10164	1.0
135.11728	3.8
137.02380	3.4
137.06015	0.6
138.02698	1.0
139.07608	0.7
145.10158	3.6
146.09248	10.0
149.13304	2.5
153.12770	10.5
154.12283	2.2
159.11697	8.1
161.09653	0.6
163.11208	2.4
167.14349	4.7
169.10144	4.8
172.13335	5.8
177.12732	8.1
181.12318	0.8
187.11159	8.6
195.13866	3.8
205.12253	16.3
213.14891	1.1
220.62750	0.6
221.98253	0.5
222.14934	0.7
223.13292	9.3
226.15535	1.2
240.17072	7.0
241.14326	28.8
258.08551	2.9
258.18176	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.3
58.06609	8.8
60.05650	0.7
69.07791	0.6
79.05495	0.9
81.07069	10.6
83.08622	2.1
84.08151	0.9
86.06055	3.4
86.09734	0.8
87.04465	7.5
98.09711	1.0
99.60284	0.6
102.05540	0.6
104.07111	2.3
107.27254	0.6
113.09647	100.0
118.20378	0.6
126.69817	0.6
128.08234	0.9
137.89383	0.6
142.09734	0.6
146.09250	91.6
157.76176	0.7
172.10782	4.2
186.12369	18.8
223.09625	0.9
226.15520	9.5
234.99030	2.4
240.12511	0.8
241.94937	0.6
258.18137	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	258.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42273	1.1
57.07082	25.5
58.06610	1.8
60.39299	1.5
62.06097	19.0
63.46233	1.3
69.10133	1.5
71.08640	14.5
72.04525	23.8
80.64896	1.4
85.10188	2.7
88.76033	1.8
120.44449	1.6
140.94751	1.7
161.18582	2.1
212.23706	13.7
230.24776	100.0
240.23227	42.1
258.24277	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	258.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45392	1.0
51.59418	0.8
55.05503	1.0
57.07080	22.9
58.06594	5.2
62.06091	14.7
70.82114	1.3
71.08624	13.3
72.04518	20.6
73.49877	1.1
79.97186	1.1
85.10188	6.9
86.06015	1.4
86.88426	1.1
90.05587	1.9
129.13414	1.0
212.23775	12.9
230.24770	100.0
240.23219	45.6
240.25388	1.5
258.24277	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	258.279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22291	0.3
53.64519	0.3
57.06832	0.4
57.07089	9.2
58.06596	2.0
62.05798	0.5
62.06097	10.2
62.73026	0.3
70.87059	0.2
71.08630	5.7
83.08599	0.4
85.10172	3.6
94.12843	0.3
94.88815	0.3
101.97862	0.3
128.54160	0.3
150.19368	0.3
213.91896	0.3
240.26849	7.7
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	258.279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07086	9.1
58.06596	2.1
62.06097	10.3
71.08331	0.4
71.08640	6.6
74.88071	0.4
75.19762	0.3
85.10177	2.4
85.63199	0.4
95.09583	0.4
128.60733	0.4
218.83035	0.4
240.26865	7.7
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
57.07083	10.2
58.06594	0.8
62.06092	9.7
71.08632	6.4
85.10177	2.7
87.71420	0.5
101.56246	0.6
116.84299	0.5
129.69392	0.5
240.26822	7.6
258.27917	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20232	11.6
50.41145	10.8
52.34592	12.3
60.50294	11.0
61.04008	12.5
63.42585	12.0
67.38004	12.6
73.02917	20.8
74.06074	55.7
78.60704	15.5
84.04516	34.0
84.08134	17.6
97.02884	80.1
105.65813	15.0
113.03496	17.9
118.03536	23.6
119.01910	18.1
125.71294	15.6
130.03534	13.6
133.82587	12.2
142.02489	17.8
142.03511	18.4
144.04002	25.7
150.82646	16.4
151.53902	16.1
156.04042	23.4
158.05629	71.6
160.04599	100.0
178.05693	32.1
181.02391	19.4
189.59680	15.6
198.05110	16.5
216.06038	16.8
217.06758	98.8
218.07233	23.0
241.05713	20.3
259.02173	72.0
259.06894	73.4
259.10593	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	259.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	10.5
57.03430	2.0
58.02974	3.3
60.04517	1.4
61.02922	1.8
61.04056	11.9
64.02896	1.2
69.99324	1.4
70.04078	30.7
71.02494	2.7
72.04495	2.6
73.02908	8.6
74.02438	9.3
75.22725	1.2
83.26041	1.3
84.04495	18.9
85.02912	3.1
85.04023	14.4
94.02906	1.4
98.03561	12.9
99.01938	6.6
99.05466	1.5
100.03988	8.8
101.02380	9.7
101.03485	10.5
102.01910	1.3
109.00390	1.6
109.98784	5.4
110.02423	17.8
112.03964	3.0
113.03498	15.9
126.02042	2.8
126.02990	90.0
126.06642	2.3
127.01407	42.3
127.04998	1.7
128.03445	100.0
128.04526	7.5
129.02959	15.7
131.04529	1.9
137.03450	6.5
139.01396	5.7
142.02431	3.1
144.04039	93.1
145.02473	7.9
146.04468	57.5
152.00909	1.7
155.04556	12.2
156.02895	15.5
156.04044	41.2
169.03563	74.4
170.01952	28.2
171.04008	2.4
173.05560	9.2
174.04041	2.3
181.02412	23.9
182.00853	8.0
196.12520	1.4
198.05113	22.0
199.03333	28.6
208.75133	1.5
216.06154	30.4
216.13000	1.6
217.04507	11.4
236.06329	1.5
241.05693	2.7
242.04021	22.1
259.06921	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	259.0747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79591	0.3
55.01877	0.6
61.04037	0.6
67.04247	0.7
67.52054	0.4
68.88231	0.4
69.03407	0.4
70.04078	0.6
70.06586	1.7
72.08121	0.4
73.02929	0.6
74.00668	3.1
77.20598	0.5
77.66520	0.4
84.04504	3.3
84.08147	5.0
85.02924	0.6
85.04015	0.6
85.08492	3.1
86.09717	0.5
97.02891	1.0
97.08405	2.3
100.02209	53.8
101.03462	0.4
109.01760	0.4
110.02387	0.8
112.03958	0.8
113.03466	0.8
114.05485	0.6
118.03247	4.2
120.01153	0.9
126.03002	2.4
127.01371	0.8
127.05045	7.4
128.03448	3.6
128.04337	0.5
129.02884	0.5
129.10237	6.7
130.05003	0.9
130.10628	5.2
131.04463	0.5
144.04037	4.0
146.02713	100.0
156.04097	3.1
169.03625	3.2
169.06813	2.1
170.18033	0.4
181.02460	1.8
196.04155	0.5
198.05013	0.9
199.03517	0.9
213.06924	20.7
216.06201	1.1
242.04048	0.7
259.07486	27.7
259.13620	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	259.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.0
57.03451	24.7
65.11504	1.7
66.20583	1.6
69.03436	97.9
71.96767	2.3
75.04468	2.8
81.03426	10.4
85.02917	55.0
87.04476	59.7
91.82256	1.9
93.13097	1.9
97.02895	100.0
98.57326	1.9
99.04463	4.3
110.74475	2.3
111.04440	2.8
112.01193	1.7
115.03196	3.1
115.03932	51.2
123.04445	4.3
127.03846	2.8
133.04951	34.4
135.94260	1.8
169.04958	4.2
191.49150	1.9
196.17010	3.0
241.06973	2.8
259.08301	5.9
259.10693	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	259.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05995	0.3
55.01863	0.4
59.35249	0.2
67.05528	1.1
69.03435	3.6
69.07049	0.7
72.08154	1.7
73.99041	0.3
74.06056	0.4
75.04490	0.3
79.50856	0.3
84.04530	0.8
84.08139	1.6
85.02912	0.6
86.09679	0.6
87.08084	0.6
91.05493	0.4
92.21497	0.4
95.04970	2.2
97.02887	6.7
98.09691	0.3
98.97575	0.5
98.99805	0.4
103.05456	0.8
107.04958	46.1
119.72190	0.3
121.06517	1.9
123.04428	100.0
127.03883	0.5
128.03447	0.6
129.10226	2.8
131.04927	5.8
135.04393	0.6
136.07584	0.5
144.04054	0.7
144.05370	0.3
147.04491	1.3
149.05984	11.0
153.05411	1.6
156.10234	0.3
165.05495	0.5
181.02435	0.4
181.05226	0.3
213.09210	0.6
218.07758	0.5
241.08540	4.5
259.06903	0.7
259.11389	0.7
259.14746	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	259.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	1.3
57.03438	1.1
61.55286	0.8
64.19109	0.8
67.05487	1.1
69.03432	9.8
69.92890	0.8
72.08106	0.9
73.62611	0.9
77.22513	0.8
79.05491	1.3
81.07052	4.4
82.07378	1.0
83.08590	0.9
85.02921	2.3
86.09697	2.2
93.07005	1.0
95.08598	3.5
97.02875	11.8
107.04932	1.1
107.08647	0.9
107.09554	1.0
109.02806	1.1
109.10179	1.3
110.06031	1.8
111.04440	1.3
112.92902	1.1
121.06519	0.9
121.10138	1.1
124.07603	1.3
126.98095	0.9
143.08551	1.3
154.13068	2.0
158.09662	3.7
160.09938	2.2
160.12111	1.8
163.14807	1.2
170.09650	2.0
175.12280	6.3
178.13072	1.0
186.09120	17.1
187.08679	7.2
188.09439	6.7
196.07579	1.2
202.11003	13.9
203.11821	19.5
205.15849	1.1
206.12547	3.8
213.10266	5.9
213.12973	1.0
214.08627	29.1
215.08154	8.6
216.08968	1.6
224.13669	2.1
230.10544	5.2
231.11230	12.6
241.09770	1.5
242.08051	2.0
242.14580	7.0
259.10785	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.1
55.05524	27.1
55.40582	1.1
65.67126	1.0
69.03429	25.2
69.07066	1.7
70.06612	1.3
73.06558	96.5
81.03419	7.4
84.08153	3.0
85.02890	11.0
86.09722	9.6
97.02893	12.3
99.04456	7.8
101.06019	100.0
107.04947	1.3
109.02881	2.5
117.58558	1.4
121.46154	1.2
123.04462	2.2
127.03912	5.6
129.10246	7.4
129.37434	1.2
144.04120	2.4
156.04192	1.3
169.08644	1.5
173.07143	7.9
181.08514	1.6
185.59317	1.2
187.06113	2.1
195.00099	1.5
199.09669	1.2
216.06039	1.5
235.99243	1.5
242.92966	1.3
259.07040	2.9
259.11630	54.4
261.70569	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	259.165
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05039	5.7
61.02923	0.4
63.04719	0.2
67.05500	0.5
68.05023	1.3
71.08630	0.6
74.02442	2.1
74.06081	7.0
79.05494	1.0
81.07060	1.8
85.06572	0.3
91.05487	0.3
92.93181	0.2
93.07046	1.3
95.08608	0.4
98.06054	39.2
98.09676	2.0
102.05544	14.4
107.04983	0.5
107.08592	0.4
109.24797	0.3
112.74966	0.2
116.01692	0.3
116.07096	1.0
116.10719	1.3
119.08566	0.4
120.06564	3.8
121.10120	4.1
126.05470	0.3
131.08571	1.1
135.08000	0.3
135.11678	0.9
139.11122	0.4
142.74635	0.2
144.06558	100.0
145.10115	1.7
149.09596	1.3
163.11192	1.7
181.12244	0.6
189.31190	0.2
191.10628	1.4
200.12819	1.5
217.15466	1.9
227.12747	0.4
241.14412	1.0
259.16272	2.7
259.20505	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	259.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70975	0.2
55.05509	0.3
56.04773	0.3
56.05045	7.1
57.03461	0.2
68.05023	1.4
74.02439	1.8
74.05685	0.5
74.06080	11.5
74.43579	0.2
78.46013	0.2
81.07053	1.1
85.02918	0.4
93.07059	0.2
95.08583	0.3
98.06055	38.6
98.09681	3.3
99.04443	1.2
99.73277	0.3
100.11293	0.3
102.05544	12.2
116.07076	1.0
116.08218	0.3
116.10709	1.0
120.06582	4.7
126.05504	0.6
133.10175	0.3
144.06558	100.0
200.12848	1.1
217.15456	0.6
259.16608	2.0
259.20551	0.9
273.73355	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	259.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76616	0.7
55.05521	0.8
56.05047	20.8
59.04876	9.6
59.59747	0.7
59.60062	0.8
60.05650	4.7
69.07053	1.3
72.04509	1.7
74.02436	2.0
74.06079	12.8
85.06465	1.0
86.07194	100.0
86.09708	32.9
87.07950	1.2
98.07183	8.0
98.09707	1.1
99.05582	13.5
100.11256	1.9
102.05540	7.2
114.06647	1.2
115.04995	1.5
116.08213	9.9
116.10741	4.1
120.06567	5.5
131.06905	32.4
142.06104	3.7
144.07664	10.9
146.11787	7.5
160.07185	20.1
160.08376	1.7
162.08696	1.7
163.05833	2.2
170.09637	0.9
184.60172	0.9
200.12868	7.6
213.20499	1.1
217.15486	1.5
230.18987	0.8
241.16615	1.4
259.17657	79.6
259.20071	3.5
276.78232	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	259.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86403	0.4
51.91807	0.4
52.37525	0.3
55.98213	0.4
66.35994	0.4
69.07061	0.6
70.04071	0.4
79.05492	0.6
83.61931	0.4
86.09711	100.0
95.08595	0.6
140.22638	0.5
146.11765	27.7
199.18077	2.2
213.03790	0.5
227.17436	0.6
231.04845	0.9
241.15785	0.9
259.17151	1.8
259.20227	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	259.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46967	0.3
67.05505	0.5
69.07065	0.6
74.06087	0.5
86.07172	0.7
86.09708	100.0
93.07046	0.5
107.08602	0.6
114.34780	0.4
121.10175	0.7
125.09626	1.0
131.08484	0.4
146.11760	30.1
175.57059	0.4
177.90504	0.4
192.41504	0.4
198.14906	0.5
199.18069	1.6
200.13004	0.5
203.12401	0.4
259.20157	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	259.2055
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05523	8.3
56.06681	2.6
56.99163	3.2
61.26469	2.7
67.05508	5.5
69.07056	4.1
71.08649	6.1
79.05501	5.2
81.07044	7.8
82.58293	3.3
83.08616	6.0
91.05467	18.4
93.07059	14.3
95.08607	4.4
105.07033	48.0
107.08622	5.9
117.07014	27.9
119.08577	28.0
129.07037	15.4
131.08580	27.4
133.06485	6.8
133.10104	21.7
139.66545	3.6
143.08556	24.2
145.10139	24.8
147.07982	4.3
147.11707	25.6
157.10120	17.5
159.11685	37.3
161.13200	28.7
171.11674	18.9
173.13263	27.0
175.14793	5.2
185.13310	26.1
187.14821	14.6
189.12704	28.3
199.14807	17.1
220.15755	4.3
238.86731	3.8
241.19452	30.1
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	Unknow
Peak:m/z	Relative Intensity
53.65077	2.3
55.05512	5.0
55.25333	2.2
57.03433	5.1
57.07096	2.6
59.76577	2.0
59.80570	2.4
64.91069	2.3
67.05505	12.4
69.07059	4.2
71.08624	3.1
79.05479	5.4
81.07054	21.6
83.08615	2.7
91.05487	17.5
93.07038	12.3
95.08603	12.4
97.06541	2.8
99.08109	3.6
105.06313	4.3
105.07021	56.8
107.08585	5.3
109.10172	4.4
117.07012	29.2
119.08580	23.7
121.10171	3.9
129.07001	15.8
131.08556	37.1
133.10130	37.9
143.08551	22.5
145.10109	38.4
147.11655	35.7
149.09547	2.6
149.13258	2.5
157.10146	17.5
159.11676	48.2
161.13239	36.7
167.95384	2.8
171.11607	21.4
173.13225	33.5
175.11215	3.3
175.14827	10.6
176.79950	2.3
181.25465	2.7
185.13252	27.8
187.14830	26.0
199.14795	15.3
231.25078	4.6
241.19507	42.8
241.23297	3.0
259.20557	100.0
259.24759	12.3
276.40167	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	259.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51741	0.9
55.01883	1.2
55.05507	6.3
67.05499	3.1
69.07066	33.2
71.04991	24.7
77.40378	1.2
79.05507	1.6
81.07048	9.7
83.04976	2.9
83.08619	6.8
84.99804	1.1
85.06539	22.4
91.05467	3.0
93.07043	11.6
95.08604	16.0
97.06532	2.7
97.10155	1.4
99.08104	1.3
104.38995	1.3
105.07023	13.8
107.08601	12.1
109.06520	8.3
109.10144	14.5
109.36814	1.3
111.08059	16.7
117.06989	2.0
119.08555	35.5
121.10137	13.1
123.11687	25.7
124.72499	1.3
131.08565	7.1
133.09193	2.0
133.10130	33.2
135.08058	14.5
135.11696	7.3
137.09615	4.9
143.08507	4.2
145.10112	23.6
147.11700	14.6
149.09637	2.1
157.10100	10.7
159.11678	28.3
161.09662	2.1
161.13249	35.6
163.11160	1.8
171.11679	17.9
173.13292	8.9
175.11226	5.2
175.14798	100.0
176.15605	5.6
177.16304	3.0
185.13234	14.1
189.12711	6.7
189.16374	5.3
190.13525	1.9
199.14841	6.1
201.16367	27.3
203.14349	9.4
215.17947	2.8
241.19493	16.1
259.20544	90.0
269.71829	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	259.2056
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
50.07048	2.8
55.05521	5.2
57.07081	6.9
67.05514	7.9
69.07082	5.0
79.05505	6.9
81.07072	6.2
83.08646	6.6
91.05495	17.3
93.07034	7.1
95.08626	13.3
104.99967	3.5
105.07043	55.1
107.08608	6.0
117.07023	30.9
119.08585	47.4
121.10181	8.1
124.34357	3.8
129.07030	20.8
131.08566	36.5
133.10139	34.7
135.11810	3.2
143.08553	21.3
145.10115	57.2
147.11687	38.6
157.10120	15.4
159.11688	72.4
161.13261	16.2
167.07306	4.0
171.11708	23.5
173.13252	36.1
175.14745	7.4
185.13280	24.7
199.14799	17.6
203.10741	5.0
211.38991	3.5
241.19539	42.3
241.27191	3.4
259.17194	23.0
259.20569	100.0
259.28311	28.6
263.67691	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	259.2054
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
51.64615	1.2
54.76710	1.2
55.05505	3.3
55.51851	1.4
57.03412	1.4
57.07078	7.0
59.03568	1.5
60.32572	1.2
67.05513	13.1
69.07069	8.7
69.42596	1.2
71.04988	1.8
71.08641	11.9
74.06056	2.3
78.18259	1.3
79.05483	7.5
81.07062	15.0
83.08617	5.4
85.06574	1.8
86.61403	1.6
88.75549	1.3
91.05481	16.2
92.70547	1.4
93.07040	8.3
95.08603	9.2
97.06544	2.0
99.08082	7.5
102.05521	1.5
105.07030	41.9
107.08581	6.1
108.03842	1.3
109.10132	1.7
116.08198	2.3
117.07014	14.5
119.08578	19.2
121.10125	9.8
127.66911	1.6
128.06230	1.6
129.07016	12.0
131.08569	19.1
133.06494	2.0
133.10135	12.7
133.99239	1.6
135.08046	2.0
135.11673	6.8
139.11272	2.0
143.08585	18.0
145.10112	26.2
147.08121	1.8
147.11691	32.2
149.09630	2.4
157.10107	11.0
159.11690	8.6
161.09627	2.8
161.13257	29.4
161.14536	2.5
163.11153	7.2
171.11681	14.4
173.13286	18.8
175.11166	9.8
175.14807	11.3
177.12717	1.8
181.12274	2.2
185.13225	17.0
189.12733	8.3
199.14789	14.9
201.16510	1.7
203.14345	2.0
213.16402	1.7
215.18100	2.1
231.21025	2.2
241.19476	32.1
259.20547	100.0
259.23364	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	259.2054
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05513	4.8
56.05037	4.0
56.53719	2.0
57.03452	2.4
57.07076	3.5
67.05511	21.8
69.07061	9.9
71.08624	10.8
73.22276	2.5
74.06073	4.9
79.05498	18.6
81.07073	22.5
83.04982	4.8
83.08600	2.8
85.06525	4.2
91.05485	19.7
93.07056	18.0
94.46299	1.9
95.08598	10.8
97.06529	11.6
99.08083	10.2
105.07037	48.0
107.08578	16.0
109.10159	11.4
111.08031	3.7
117.07004	13.7
119.08588	16.0
121.10130	19.7
123.08073	2.0
129.06993	13.7
131.08574	19.9
133.10161	15.6
135.11688	42.6
143.08583	17.5
145.10126	35.8
147.11693	26.9
153.12743	2.6
157.10127	10.5
159.11685	12.4
161.09654	4.0
161.13283	25.5
163.11162	10.3
171.11720	12.3
173.13237	13.4
175.11139	4.1
175.14807	11.7
177.12883	2.5
181.12241	24.6
185.13297	15.1
199.13257	8.6
199.14841	13.4
220.27184	2.0
227.12764	4.6
241.19504	30.0
242.17352	2.5
245.13908	3.5
259.20569	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	260.0532
Annotation	Kanosamine 6-phosphate
Peak:m/z	Relative Intensity
52.86380	1.3
54.11081	1.1
59.02467	1.1
70.06596	1.6
72.08163	1.9
74.06096	3.0
84.08150	100.0
85.46004	1.1
86.09705	28.9
96.33244	1.3
98.50277	1.4
100.07642	11.2
101.10822	2.0
129.10219	26.5
130.05022	11.2
130.08641	16.3
133.76442	1.2
147.07661	10.3
147.11284	19.5
150.88986	1.4
160.04581	5.8
161.04698	2.2
172.04747	1.3
179.05769	1.9
189.91121	1.4
218.06735	7.1
235.04095	1.3
243.17061	8.8
260.05328	7.8
260.07504	6.0
260.12341	1.9
260.17160	1.6
260.19696	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	260.07
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86800	0.5
53.20945	0.5
58.89980	0.4
58.99582	0.8
64.23463	0.5
69.64976	0.4
72.04469	0.5
83.06104	2.0
84.04512	2.7
84.08136	2.5
86.09716	8.7
87.56458	0.5
90.05556	0.7
101.01730	100.0
101.07099	0.7
102.05545	0.5
129.10216	0.7
130.05014	0.9
130.08719	0.8
132.10159	2.2
134.21915	0.6
139.96001	0.5
143.02713	1.2
143.11823	3.7
146.03825	12.0
146.71011	0.5
147.07637	2.5
147.11293	0.8
158.02588	0.8
158.03854	15.6
171.11285	0.6
193.58258	0.5
197.12823	0.7
200.04892	37.4
218.05945	98.4
222.97154	0.6
228.09908	0.9
236.39291	0.5
242.05969	0.9
242.15004	2.8
243.13382	1.1
260.06995	31.9
260.12387	0.8
260.19736	0.9
266.04358	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.07
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
58.99591	0.5
67.16751	0.4
77.82113	0.5
83.06100	0.6
84.04483	1.0
84.08150	0.9
86.09711	8.2
90.05563	0.9
101.01731	100.0
104.25397	0.5
122.78880	0.5
132.10207	0.7
143.02737	0.6
143.11812	6.6
146.03838	14.1
158.02608	0.8
158.03838	12.5
171.11218	1.8
200.04900	37.8
218.05946	98.7
242.05881	1.0
242.15161	0.8
249.20839	0.5
260.06998	34.4
260.16016	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	260.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05652	0.8
62.17390	0.6
65.90450	0.5
67.03004	0.9
71.98160	0.6
75.04478	0.7
81.07064	0.7
82.55183	0.6
84.08148	1.4
86.09691	0.8
94.02926	1.4
98.06091	0.7
101.06583	0.6
102.05528	4.3
108.05607	21.6
109.06478	0.9
112.05081	1.1
118.81796	0.6
122.05878	0.6
126.04590	1.1
126.05526	31.4
126.06593	4.1
136.05042	2.4
140.08134	0.7
154.04967	5.9
154.06129	18.4
168.07678	91.0
180.90080	0.7
186.07547	3.5
186.08978	6.3
200.07164	0.8
200.10274	3.8
214.08282	5.9
228.09784	100.0
257.53726	0.7
260.09723	0.8
260.12448	20.2
260.15527	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	260.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
56.05051	0.6
69.04572	5.5
69.07047	0.9
70.06589	3.4
71.04992	11.4
73.02913	3.7
77.98329	0.7
80.04934	0.8
84.08131	1.4
86.09688	1.2
88.07643	1.1
96.05614	15.2
99.07967	1.4
110.07080	0.9
110.71247	0.7
113.09637	6.8
127.06169	3.0
128.08176	9.4
136.06146	1.0
140.11807	3.3
142.08670	15.3
142.09703	2.3
156.11342	10.6
160.09702	21.9
161.09688	0.7
162.39461	0.8
171.02133	0.7
190.95253	1.0
225.07678	3.6
228.13428	100.0
242.10323	4.7
242.17523	1.3
243.08760	26.8
260.11871	9.8
260.16028	79.3
260.18320	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	260.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	3.9
56.05042	0.3
58.06615	0.3
67.05505	0.5
69.03431	1.7
69.07081	0.5
70.06596	1.2
74.69054	0.2
79.01801	0.3
79.05489	0.4
80.17586	0.3
81.07057	0.6
83.08612	2.8
84.08125	0.6
86.06065	6.2
86.09695	0.4
87.04472	13.1
97.10160	6.1
98.06053	26.4
100.11256	10.8
101.05981	0.4
104.07085	2.3
107.08582	1.1
109.10149	0.3
113.19035	0.3
113.25657	0.3
116.03427	0.3
125.09606	2.5
136.06172	0.4
168.13828	18.7
174.14856	1.1
186.14885	100.0
210.14879	0.5
260.18542	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	260.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.3
55.82828	1.3
55.92212	1.7
57.07096	3.4
58.91784	1.4
60.13866	1.5
61.56522	1.6
67.05507	20.9
69.07079	17.7
71.04986	8.6
71.08587	1.9
79.05503	2.6
81.07062	46.1
83.08626	24.3
84.13471	1.6
85.06554	19.7
88.03975	2.2
89.23827	1.9
91.05492	4.3
93.07040	9.4
95.07998	3.2
95.08610	100.0
97.06548	12.5
97.10155	4.5
98.97622	1.8
99.08082	3.8
105.07040	9.2
107.08613	2.6
107.19468	1.7
109.10162	29.6
111.08092	2.9
116.03506	1.9
119.08564	11.7
120.48671	1.8
121.10118	7.2
123.08027	2.4
131.65593	1.9
133.10100	13.2
133.60498	2.0
134.04520	4.5
135.11702	3.1
137.13242	11.6
151.14798	2.4
161.13257	52.5
179.14316	40.5
195.43727	2.4
197.15392	26.1
200.07109	3.1
214.18015	42.6
215.16426	74.4
232.09666	4.2
240.52440	1.9
260.09146	17.7
260.18478	19.9
276.92542	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	260.1968
Annotation	Lys Leu
Peak:m/z	Relative Intensity
56.05033	1.5
84.04508	0.5
84.08144	100.0
85.06535	0.4
86.09708	7.1
92.21489	0.4
96.28168	0.4
98.96339	0.3
101.10783	3.5
102.09174	0.4
112.07621	0.4
125.39743	0.3
129.03770	0.6
129.10245	12.5
130.04968	2.7
130.08612	5.3
145.04405	0.5
147.07655	3.1
147.11290	8.3
169.03638	0.5
180.13753	0.4
197.16504	0.7
226.14384	0.5
242.18625	0.5
243.16980	6.6
260.19675	23.9
261.02780	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	260.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01641	0.3
56.82441	0.3
57.07081	5.0
70.06591	5.3
71.08627	2.0
85.10163	0.4
88.07636	13.6
95.08606	0.6
102.09195	4.8
106.08678	10.5
106.49075	0.5
120.84043	0.4
125.92220	0.4
161.13336	0.5
172.94266	2.0
186.64462	0.4
190.95287	0.7
216.23093	0.7
242.24757	8.7
260.25842	100.0
273.12729	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	260.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01641	0.3
56.82441	0.3
57.07081	5.0
70.06591	5.3
71.08627	2.0
85.10163	0.4
88.07636	13.6
95.08606	0.6
102.09195	4.8
106.08678	10.5
106.49075	0.5
120.84043	0.4
125.92220	0.4
161.13336	0.5
172.94266	2.0
186.64462	0.4
190.95287	0.7
216.23093	0.7
242.24757	8.7
260.25842	100.0
273.12729	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	260.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01641	0.3
56.82441	0.3
57.07081	5.0
70.06591	5.3
71.08627	2.0
85.10163	0.4
88.07636	13.6
95.08606	0.6
102.09195	4.8
106.08678	10.5
106.49075	0.5
120.84043	0.4
125.92220	0.4
161.13336	0.5
172.94266	2.0
186.64462	0.4
190.95287	0.7
216.23093	0.7
242.24757	8.7
260.25842	100.0
273.12729	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	260.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00452	0.6
56.05029	3.0
57.07084	5.5
58.06610	8.8
63.55257	0.5
71.08617	1.2
71.31131	0.6
74.06091	2.4
81.07088	0.6
85.10172	1.2
88.07626	14.8
90.91125	0.6
92.07114	10.8
111.96498	0.6
117.42588	0.6
119.53312	0.6
153.76054	0.7
212.23715	74.1
242.24756	5.9
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	261.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27958	1.1
58.33477	1.0
60.17137	0.9
61.29161	1.2
65.03938	2.7
67.05492	1.1
69.07059	4.9
69.14803	0.9
69.45382	1.0
78.04729	1.0
81.07043	6.0
83.08595	1.5
89.36357	1.1
91.05427	1.2
92.20992	1.3
93.03391	9.9
95.04958	1.4
95.08597	7.3
97.02896	9.6
107.04943	1.9
107.08566	2.8
109.10167	4.4
114.72093	1.1
115.05449	1.5
121.02848	7.7
121.10149	2.0
123.11699	2.3
128.06224	2.5
131.04883	1.8
131.08586	12.9
141.06961	6.3
143.08568	1.7
144.05714	5.6
145.06512	1.7
147.04428	1.4
149.02322	2.2
153.06966	7.9
157.06485	11.6
158.07225	4.4
159.08043	100.0
169.06464	36.4
169.07747	2.4
171.08008	12.6
173.05927	1.6
184.99536	1.3
185.05940	13.5
187.05817	1.4
187.07524	63.2
197.05966	44.0
215.07018	69.6
216.98409	1.4
225.05476	1.4
243.06516	12.2
261.07544	86.4
261.18503	2.2
261.21906	2.3
261.25870	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	261.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15555	0.7
65.03942	4.1
67.05497	2.0
68.00373	0.7
69.07071	0.8
69.99286	0.8
71.77102	0.8
75.23817	0.9
81.07058	3.6
83.61542	0.9
86.95451	0.9
91.05456	1.9
93.03403	13.2
93.07041	1.1
93.14928	0.9
93.36091	0.9
95.04982	1.8
95.08613	3.9
97.02900	9.5
107.04947	1.6
107.08553	1.2
109.10143	2.1
111.04466	0.9
121.02868	9.0
121.10059	1.2
128.06221	5.6
129.06975	3.6
131.04918	2.0
131.08546	16.1
135.11684	1.3
139.03867	0.9
141.07004	9.8
143.08554	3.6
144.05690	5.6
145.06500	1.4
147.04439	1.1
149.02322	2.2
149.13168	1.0
152.06224	1.6
153.06984	6.0
157.06467	10.2
158.07259	5.6
159.08047	100.0
164.51259	0.9
165.40611	1.0
167.03333	1.7
169.06465	42.5
169.07516	2.2
171.08035	13.5
184.38725	1.0
185.05980	13.2
187.07539	63.9
197.05966	46.9
199.07539	1.2
213.74835	0.9
215.04942	1.8
215.07033	61.1
225.05486	4.3
243.06531	9.3
261.07571	69.0
261.18579	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	261.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54485	0.3
53.03961	6.5
55.01855	0.5
57.03452	0.5
60.02519	0.3
61.02933	0.6
68.36017	0.3
69.03435	5.6
71.04998	3.6
73.57974	0.3
79.32745	0.3
81.03429	14.2
85.02911	10.8
85.72131	0.3
86.96495	0.4
87.04494	0.4
91.94432	0.3
94.34645	0.3
95.08584	0.4
95.68664	0.3
97.02896	5.1
99.04462	100.0
101.02393	0.5
109.02886	1.4
117.05513	6.1
119.36978	0.4
120.08137	0.4
123.08104	0.6
127.03910	3.5
145.04973	1.9
173.24870	0.3
176.45200	0.3
195.34903	0.3
215.72623	0.3
261.87335	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	261.1267
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05044	2.8
61.01151	0.8
65.98810	0.7
66.17361	0.7
69.07039	0.8
70.06594	1.4
72.08143	0.9
72.85606	0.7
74.00671	21.6
76.86758	0.8
80.23986	0.8
81.07038	0.7
81.75646	0.6
82.52302	0.7
84.04510	11.3
84.08145	5.2
85.08479	1.5
86.09707	70.0
88.02222	1.0
94.11131	0.7
102.00143	0.9
102.03772	19.8
102.05533	6.8
105.66917	0.8
109.37881	0.7
120.04417	1.1
120.08121	1.8
124.07587	78.5
129.10211	1.6
130.06529	4.9
131.02751	1.5
132.10194	9.0
141.06552	1.3
142.06912	1.0
148.06071	5.7
153.30688	0.7
157.07657	2.7
158.06046	6.5
159.09523	11.0
170.06110	1.3
171.07990	1.0
187.08998	55.1
188.07018	1.1
197.12828	4.3
198.11259	1.2
215.08549	1.8
215.12062	1.4
233.09508	10.1
243.13344	4.5
244.11859	0.9
261.12646	100.0
276.32034	0.9
279.11758	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	261.1556
Annotation	K-GG
Peak:m/z	Relative Intensity
55.79063	1.0
56.05048	10.3
56.43767	0.9
58.04077	1.4
60.04521	5.3
69.04558	14.5
70.06585	6.2
72.04526	9.9
74.02435	8.8
74.06069	7.7
76.05131	29.0
84.04516	1.7
84.08154	12.6
85.06544	15.6
85.08470	2.6
86.06086	1.5
86.07214	3.2
86.09717	2.1
96.05613	8.5
100.07647	2.0
102.05524	13.6
102.06658	2.6
110.07149	7.3
111.07963	2.0
112.08703	2.5
114.05550	3.0
114.06634	5.9
114.28652	1.2
116.08220	10.8
118.05017	14.4
128.08203	78.3
130.04999	2.3
135.07664	2.6
135.21651	1.2
140.10699	8.2
142.09773	12.5
147.07625	2.1
160.07191	16.8
160.10806	39.7
175.10767	1.5
177.09804	8.1
184.10770	1.8
196.34659	1.5
212.10202	3.3
216.13422	2.4
229.12953	71.2
243.14510	19.2
261.12466	4.5
261.15564	100.0
261.19815	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	261.2212
Annotation	5-(1-oxopropan-2-yl)isolongifol-5-ene
Peak:m/z	Relative Intensity
55.05513	2.8
57.07066	1.3
57.44325	1.3
60.18284	1.5
61.66901	1.4
67.05505	18.8
69.07064	2.9
71.08627	1.7
75.08324	1.2
79.05497	22.0
81.07076	23.1
83.08634	3.2
85.06508	1.5
91.05489	10.3
93.07040	38.7
95.08607	20.9
99.08089	6.4
105.07018	7.7
107.08595	30.4
109.10166	9.4
111.08086	2.3
117.06956	1.9
119.08598	10.8
121.10149	33.8
131.08578	9.2
133.10136	9.3
135.11694	30.1
145.10158	11.3
147.11690	7.0
149.13271	19.8
159.11670	6.0
161.13243	9.4
163.14844	17.4
173.13251	7.7
175.14844	2.2
177.16440	3.2
184.09949	6.3
187.14821	2.7
201.16295	2.1
215.17947	2.7
219.13795	1.5
243.21036	30.1
261.13626	8.6
261.18231	2.7
261.22125	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	261.2211
Annotation	5-(1-oxopropan-2-yl)isolongifol-5-ene
Peak:m/z	Relative Intensity
53.66567	1.4
55.05515	5.6
57.07080	1.7
67.05503	17.6
69.07064	6.7
78.46487	1.3
79.05502	37.2
81.07062	32.4
83.08629	7.6
85.06537	2.5
91.05466	9.3
93.06482	2.7
93.07043	58.8
95.08603	26.1
99.08067	3.0
105.07034	10.8
107.08600	42.0
109.10174	14.0
111.08070	2.6
117.07024	2.5
119.08553	11.7
121.10142	39.5
123.11686	7.3
131.08578	9.6
133.10126	10.3
134.24498	1.5
135.11688	38.8
145.10117	12.0
147.11702	10.0
149.13268	30.5
159.11679	11.1
161.13234	12.2
163.14813	25.1
165.12857	1.5
173.13263	9.8
173.65585	1.6
175.14825	2.6
177.16397	5.7
187.14780	5.8
188.81314	1.4
194.51738	1.5
243.21056	30.8
244.60141	1.5
261.22125	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	261.2212
Annotation	5-(1-oxopropan-2-yl)isolongifol-5-ene
Peak:m/z	Relative Intensity
55.05519	2.8
57.07080	1.9
67.05503	21.0
69.07073	7.6
79.05498	29.8
81.07062	24.0
83.08614	3.6
88.65708	1.4
91.05473	10.5
93.07045	43.3
95.08604	20.3
96.80324	1.4
99.08109	2.2
105.07036	11.4
105.82079	1.4
107.08592	29.0
109.10165	9.9
111.08043	2.4
117.06989	2.7
119.08572	8.3
121.10143	26.9
123.11725	2.3
131.08575	9.5
133.10127	6.6
135.11688	31.7
138.51663	1.7
145.10117	10.8
147.11716	10.6
149.13260	20.3
159.11714	8.5
161.13243	9.8
163.14809	21.8
173.13249	9.1
175.14839	3.7
183.68892	1.7
186.44479	1.5
187.14885	2.6
188.29311	1.5
213.24059	8.2
243.21094	23.8
261.22144	100.0
261.26160	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	262.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	41.7
58.99595	18.0
60.16642	0.7
73.01134	1.5
75.90550	0.8
76.04008	7.5
77.56023	0.9
83.08627	32.9
86.99056	18.0
88.02244	6.7
88.03984	3.7
96.05620	1.6
99.44597	1.1
100.45943	0.9
116.01678	100.0
119.18838	0.8
124.03940	6.8
128.07074	1.1
130.05069	0.9
130.06506	2.0
130.08713	0.8
132.08115	3.4
138.05548	0.9
142.04991	3.6
144.01147	30.6
144.08081	1.2
146.06033	2.0
156.06572	2.1
158.06004	1.0
159.06343	1.5
162.02200	68.0
162.61588	0.8
170.04460	5.3
184.06023	1.3
188.07024	11.9
202.07166	1.8
204.75211	1.1
205.09714	1.8
223.07256	1.0
244.10715	1.8
262.08972	1.4
262.11432	1.6
262.14554	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	262.1186
Annotation	Imazapyr
Peak:m/z	Relative Intensity
51.72551	0.4
55.05507	0.4
60.40654	0.5
72.08158	0.8
80.21663	0.5
85.04030	13.7
86.09718	1.4
88.03980	0.7
115.05453	0.6
118.06532	2.2
120.08126	0.9
130.06538	16.2
130.07449	1.2
131.06892	0.6
132.08098	27.7
144.08067	4.5
144.38089	0.5
146.06004	25.6
147.06377	0.8
158.08211	0.6
159.09172	10.8
169.07562	1.0
170.05978	5.4
171.09137	4.1
181.07561	0.8
187.08684	5.4
188.07063	100.0
189.07375	0.9
198.10292	1.3
199.08662	1.1
205.09703	17.8
216.11311	12.7
240.19164	0.6
244.10760	6.8
245.09277	0.7
262.11868	12.1
262.14462	1.2
266.68948	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1186
Annotation	Imazapyr
Peak:m/z	Relative Intensity
53.22278	0.5
55.05519	8.5
58.99596	4.8
60.93139	0.6
62.86258	0.5
69.04556	0.6
74.88246	0.5
76.04013	0.6
79.05502	2.4
83.06116	1.1
83.08623	8.3
86.99061	3.1
88.02220	1.2
91.05474	4.8
96.05615	54.2
103.05466	25.1
105.07037	3.4
107.04958	12.6
108.05616	4.7
109.06380	6.4
112.85953	0.7
116.01679	20.9
119.74850	0.7
120.08090	4.1
122.07144	1.5
130.06511	0.7
131.04927	32.8
137.68051	0.6
144.01161	9.2
144.08038	0.7
149.05946	5.9
155.25299	0.6
156.08083	3.9
158.09647	1.0
162.02193	15.9
171.09175	1.4
188.07089	0.9
198.10248	21.3
200.11833	23.5
244.10797	100.0
262.11859	42.9
262.14661	1.4
265.75391	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	262.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.7
55.05512	1.5
55.98049	1.4
67.05513	11.6
71.04995	1.8
72.33497	1.7
79.05521	1.6
81.07063	4.1
82.08550	1.4
82.73029	1.5
83.04994	3.7
85.02898	2.1
90.40910	1.6
90.96968	1.5
93.07076	2.2
95.08610	2.5
97.06556	1.7
99.08108	1.8
100.88603	1.7
109.10163	14.3
111.04438	48.6
111.08080	10.7
114.39645	1.7
121.10165	3.0
129.07059	2.7
131.08580	1.7
135.11710	8.0
136.06183	35.2
144.09236	1.8
145.10120	8.3
147.11696	1.8
149.09734	2.1
153.12756	21.4
163.11163	41.4
173.09621	10.6
173.32861	1.7
181.12234	57.0
191.10657	45.6
209.11745	19.8
227.10500	3.7
227.12767	100.0
262.08325	1.9
262.16489	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	262.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15441	0.9
57.07070	4.2
58.67283	0.9
66.00996	0.9
70.06599	9.8
71.08608	1.7
88.07623	24.8
90.38367	1.1
102.09179	14.2
123.08087	1.0
127.88525	1.0
131.47864	1.1
132.10182	1.2
147.09824	1.1
156.17517	1.2
162.34642	1.2
200.20088	85.9
244.22719	4.4
262.23758	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15441	0.9
57.07070	4.2
58.67283	0.9
66.00996	0.9
70.06599	9.8
71.08608	1.7
88.07623	24.8
90.38367	1.1
102.09179	14.2
123.08087	1.0
127.88525	1.0
131.47864	1.1
132.10182	1.2
147.09824	1.1
156.17517	1.2
162.34642	1.2
200.20088	85.9
244.22719	4.4
262.23758	100.0
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
50.60471	0.7
53.99171	0.7
57.07076	3.5
58.72626	0.7
58.95421	0.7
61.04712	0.7
70.06608	9.1
71.08629	3.4
72.74894	0.8
88.07629	24.3
102.09186	13.7
132.10332	1.0
145.83762	0.9
185.47334	0.9
200.20097	72.9
244.22783	6.7
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	262.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	4.0
58.10403	0.9
62.47716	0.7
70.06587	9.3
70.40891	0.7
71.08624	3.9
88.07631	23.9
92.83738	0.9
102.09169	12.4
123.18418	0.9
125.05528	0.8
125.17012	0.8
132.10170	1.2
156.17465	0.8
159.19978	0.8
161.02650	0.9
161.72252	0.8
163.73538	0.8
192.98135	0.8
200.20099	82.4
227.46744	1.1
244.22707	5.2
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	262.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	3.1
70.06592	9.5
71.08625	3.4
72.40932	0.6
88.07121	1.1
88.07631	21.9
90.58694	0.9
92.20939	1.5
102.09172	13.0
117.33171	0.7
132.10237	0.8
133.47856	0.7
146.11769	1.0
149.77133	0.8
156.17464	0.8
168.19371	0.9
171.25409	0.8
200.20091	75.3
243.55568	0.8
244.22691	5.1
262.23758	100.0
279.45670	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	262.2375
Annotation	2-amino-1,3,4-tetradecanetriol
Peak:m/z	Relative Intensity
53.72670	0.6
54.50306	0.7
56.05045	6.1
57.07071	5.2
58.06595	4.7
60.04520	1.4
64.21999	0.7
74.06082	9.7
85.10149	1.3
86.06085	0.9
88.07629	11.1
110.04378	0.8
118.08658	5.4
122.08136	6.7
214.21637	56.2
244.22870	1.0
262.18079	3.2
262.23782	100.0
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	2-amino-1,3,4-tetradecanetriol
Peak:m/z	Relative Intensity
56.05043	9.9
57.07082	4.3
58.06610	6.1
60.04525	0.8
62.01849	0.5
68.10418	0.7
71.08627	1.7
74.06087	10.6
80.59184	0.7
82.64144	0.8
85.10215	2.2
86.06074	3.3
88.07636	12.1
91.60210	0.7
101.99831	0.7
105.78647	0.7
118.08693	6.1
122.08144	10.3
123.46258	0.7
136.82040	0.6
214.21652	60.8
244.22722	1.6
262.23773	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0164
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85502	1.0
56.05044	20.5
60.36878	1.0
63.97520	1.1
74.02444	2.3
74.06079	11.4
79.15563	1.1
81.03408	2.3
82.99819	1.3
84.04507	1.9
84.32724	1.2
85.02931	4.2
86.03722	1.5
86.90910	2.0
87.04395	1.3
101.00861	1.8
102.05562	6.9
119.01924	10.6
126.24156	1.3
128.69415	1.1
131.01877	2.1
132.95844	1.4
138.09351	1.3
143.01901	47.4
155.01895	8.7
158.05974	1.8
161.02948	100.0
173.02965	17.4
177.09837	1.2
185.02963	5.6
191.04010	9.5
198.96953	2.2
203.04034	22.7
211.09102	1.2
211.81342	1.2
216.97990	4.8
221.05118	2.7
245.04993	4.5
249.00200	1.3
263.01895	9.1
263.06067	14.9
263.08801	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	263.0528
Annotation	Galactitol 1-phosphate
Peak:m/z	Relative Intensity
54.46935	6.4
64.74097	6.3
79.60348	7.0
119.01940	12.8
140.05809	8.6
143.01897	48.5
155.01898	10.6
161.02951	100.0
173.02977	18.1
191.03954	12.4
203.04004	14.0
263.05347	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	263.0527
Annotation	Galactitol 1-phosphate
Peak:m/z	Relative Intensity
56.87888	4.8
60.05663	6.1
69.03419	10.3
69.19103	5.4
70.06589	11.4
72.04503	5.8
73.02922	13.1
73.92603	6.3
74.06080	8.9
74.22666	5.7
76.05130	31.9
84.08130	7.7
85.02910	7.5
89.96449	10.3
97.02882	7.0
98.97574	25.9
112.05122	12.0
113.05893	8.8
116.08215	7.6
119.01923	13.2
130.53551	5.8
132.96999	7.3
133.03542	6.4
143.01878	82.2
155.01855	7.3
157.03479	6.2
160.07123	7.5
161.02943	100.0
161.04080	8.6
164.41656	6.2
173.01439	7.9
173.02977	13.0
175.08675	13.2
177.09779	8.0
182.44115	7.0
185.02922	8.5
191.03995	12.7
191.62531	5.9
203.03975	14.1
221.05093	6.1
243.49806	5.4
245.12473	12.3
245.96971	7.4
262.99698	11.6
263.05832	59.3
263.09167	8.3
263.13589	26.9
273.05487	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
56.05038	0.7
74.06102	0.8
86.87713	0.7
86.90932	1.3
90.06379	0.7
90.26309	0.7
101.00875	4.9
105.15336	0.9
106.22993	0.7
112.05103	1.1
113.00851	1.0
119.01932	12.2
122.16365	0.6
131.01933	7.4
143.01904	52.8
155.01881	10.5
157.03409	0.7
161.02954	100.0
173.02956	27.2
179.04099	0.7
185.02956	4.6
191.03983	13.6
203.04004	22.2
221.05058	3.4
233.05061	1.5
245.05141	0.9
263.01880	1.0
263.06042	22.9
263.13470	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	263.0873
Annotation	Aspartylglutamate
Peak:m/z	Relative Intensity
51.19627	1.0
51.67233	0.9
52.95399	1.0
54.03494	1.7
55.01878	12.6
56.05039	5.8
57.03453	1.9
58.02960	2.0
60.64782	0.9
61.02935	1.1
61.04054	1.4
63.48926	0.9
69.03416	2.2
69.07062	1.8
70.02961	1.2
70.06604	1.9
72.04536	7.9
73.02913	7.4
74.02447	1.5
74.06078	1.3
81.90031	1.0
82.02937	4.3
84.00887	1.3
84.04498	10.9
84.08112	1.4
85.02901	6.0
86.02400	2.0
86.09711	1.9
88.04000	2.2
90.16784	1.1
91.03944	1.0
94.02953	1.4
97.02896	1.7
100.03338	2.2
100.03981	32.2
101.02390	5.3
101.52221	1.6
102.05540	1.9
104.03503	2.0
108.04474	1.3
109.02750	1.4
110.02405	19.0
111.01943	1.4
113.03536	1.0
114.05543	2.5
116.03467	13.6
116.07048	1.5
118.05002	4.3
119.01895	2.0
125.03468	6.5
126.01900	4.3
126.05532	1.3
127.01410	27.8
127.04960	1.1
128.03441	100.0
129.02148	1.0
129.02971	9.3
131.01868	1.5
138.01889	1.7
139.00317	1.9
139.01393	6.5
140.07071	12.8
141.02942	12.6
142.04997	9.9
143.01915	10.8
145.02454	10.2
146.04471	13.3
151.04950	1.3
152.03494	1.7
153.02948	5.9
155.04593	1.3
156.02913	48.9
157.02437	2.2
157.06082	1.3
159.04021	9.4
160.06071	11.7
161.02954	22.2
170.04482	13.0
171.04042	5.9
173.02943	6.7
174.03961	26.6
181.38823	1.1
182.00838	7.8
185.02997	1.6
188.05534	44.1
191.03979	2.6
199.03453	23.6
202.08568	2.0
203.04013	5.2
203.06609	4.3
206.06578	6.0
213.05072	1.4
220.08128	4.3
221.05144	1.9
231.06116	51.7
233.10298	4.7
263.06168	8.4
263.08707	4.3
263.11240	2.2
263.13815	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	263.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07042	2.8
53.00042	2.8
54.03487	7.8
55.01879	7.6
55.05501	4.2
56.05042	44.3
57.03439	7.7
57.88340	2.8
58.02977	4.3
60.04541	3.5
60.05644	2.7
61.04053	6.6
62.93501	3.0
69.03439	5.2
70.06615	13.0
72.04526	39.7
72.08145	6.5
72.23812	3.5
73.02930	5.8
74.02448	4.8
74.06092	26.3
74.07296	3.0
81.05802	19.1
81.07041	3.5
82.02939	13.9
82.06586	5.9
84.04505	37.5
84.08128	15.3
85.02916	7.0
86.02391	4.2
86.06058	5.1
86.09705	18.3
88.03978	21.5
94.02933	34.0
98.06059	7.4
99.04464	4.3
100.03992	64.6
101.02402	4.8
102.05540	18.7
104.03485	3.8
108.04448	26.3
109.02908	3.5
110.02409	100.0
110.07160	4.6
111.01917	3.6
114.05537	14.5
115.08685	16.3
116.03436	37.0
118.05048	25.4
119.01897	7.9
120.08099	85.1
120.21664	3.3
125.03516	5.3
125.04729	7.0
126.01887	8.5
126.05547	3.9
127.01411	19.1
127.03973	5.1
127.05048	4.1
128.03438	95.8
129.02972	16.4
129.10278	6.3
130.04977	4.2
132.06596	28.2
136.00305	17.0
136.07608	8.4
136.80623	3.5
138.01881	8.6
139.01360	8.0
140.07051	74.8
141.02953	12.3
142.04997	71.0
142.08673	5.3
143.01895	39.4
143.03429	6.9
145.02446	8.6
146.04504	50.6
148.06071	5.9
150.96887	3.7
152.03438	40.7
153.02939	18.6
155.01915	5.1
156.02933	47.4
157.06125	3.7
158.04434	3.8
159.04004	12.6
160.06084	25.3
161.02979	76.5
162.04112	16.7
168.02945	6.2
170.04463	30.4
171.04018	15.5
173.02916	17.4
173.04381	4.1
174.04007	29.9
175.03989	5.5
182.00839	3.9
184.06058	19.1
184.99001	12.3
188.05553	55.3
191.03943	8.1
199.03442	11.9
199.05072	6.8
202.07108	8.1
203.00005	17.9
203.04001	20.9
204.07692	5.1
205.08559	5.6
206.06551	4.9
214.07449	4.2
216.06918	3.5
217.06345	8.1
217.09691	5.3
220.08133	13.8
231.06125	31.1
231.09737	4.2
245.09386	5.3
263.02002	3.9
263.06174	14.5
263.08774	49.3
263.14072	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	263.0959
Annotation	DMABA NHS ester
Peak:m/z	Relative Intensity
56.05039	0.2
60.37717	0.2
61.79942	0.2
67.05524	0.2
72.58384	0.2
77.70958	0.2
83.79082	0.2
84.04499	0.5
88.03994	1.7
89.55975	0.3
100.07632	0.9
115.01414	0.4
115.02155	5.2
115.24494	0.2
147.07895	1.1
148.07463	0.3
149.08235	2.6
162.04086	0.3
176.08174	0.3
191.05156	0.3
199.09825	1.8
200.10559	0.9
208.03856	0.3
216.05852	0.3
222.06953	1.4
231.07036	0.4
232.07791	8.4
233.08635	1.8
245.08502	2.0
263.09598	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27438	1.1
56.05038	2.7
56.96574	16.1
61.92101	1.3
63.33320	1.3
66.21094	1.3
67.05536	1.5
69.07066	1.3
70.02959	12.5
70.06597	10.5
72.08156	2.7
74.06075	2.1
74.97606	6.2
76.05118	8.5
84.04513	7.6
84.08144	11.6
85.06518	2.0
86.09704	13.1
87.10021	1.6
91.05479	78.6
95.08599	1.8
98.02358	1.7
102.05514	2.3
103.05459	20.9
104.01579	1.7
107.04942	10.6
107.14523	1.4
110.07141	3.4
117.03727	3.5
120.08105	16.3
121.08382	2.1
129.10233	3.6
130.06560	2.4
131.04947	17.2
132.10217	2.1
132.98071	2.9
134.10680	1.6
144.08087	2.9
146.06027	1.8
147.09196	8.2
149.05937	2.0
150.99098	14.1
152.86093	1.7
154.06538	2.6
157.06503	15.7
161.04874	12.4
169.00107	2.9
172.07547	25.7
175.01924	2.0
175.08672	66.2
179.05943	3.7
182.06015	26.2
188.11926	1.6
189.10269	3.4
199.13362	2.1
200.07062	100.0
203.05092	1.6
217.09805	2.1
221.05962	3.3
221.09213	22.4
228.06615	2.6
241.73877	1.5
245.13789	2.3
246.07532	22.3
263.06989	6.2
263.09601	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	263.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95654	0.8
56.05032	1.2
58.58212	0.8
69.03436	2.1
70.06589	7.9
71.04990	1.0
75.61543	0.9
81.19559	0.8
83.04968	1.0
85.35219	0.9
86.09734	1.0
91.05468	1.1
93.07076	1.0
95.04972	4.2
95.08609	5.9
97.06526	7.0
105.07031	1.1
116.03406	1.0
116.07091	2.1
119.08578	5.2
120.08154	2.2
121.06490	2.2
123.04492	1.4
123.08063	100.0
133.10127	1.6
135.08076	1.5
137.05972	1.4
139.07631	1.3
147.08064	2.1
157.10091	2.1
159.08087	4.4
159.11615	3.7
161.09615	2.0
165.09105	63.7
167.07056	1.5
171.11665	1.3
173.09641	2.0
173.13213	1.4
175.11185	5.1
184.08856	1.2
185.09679	1.7
187.11092	1.1
199.11223	7.4
203.10654	2.1
205.08572	6.2
212.08397	1.2
215.10699	1.7
215.27321	1.0
217.12204	2.4
218.99609	1.0
222.94978	1.2
227.10603	2.5
233.11668	5.7
245.11653	4.1
263.12668	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	263.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55858	0.9
56.05040	18.8
57.04564	1.0
58.04107	2.9
60.05652	4.1
67.43562	0.8
69.04559	1.8
70.02953	2.0
70.06602	1.7
72.04517	16.2
74.02454	5.9
74.06086	19.9
76.05132	33.9
76.14967	0.9
79.70242	1.0
84.04483	1.5
84.08140	4.0
85.08457	1.1
86.03561	5.4
86.06059	1.8
86.09700	5.0
86.90916	4.1
87.04474	1.0
88.04032	0.9
91.49047	1.1
96.05632	2.1
97.04016	24.7
98.06075	1.7
101.00893	5.0
102.05548	22.5
102.06669	5.9
112.05089	49.5
112.07578	1.3
113.05882	5.4
114.06642	4.0
116.07101	1.4
116.08222	8.1
118.04996	19.0
119.01920	14.1
120.05804	1.0
120.06606	8.1
126.05592	1.1
126.06645	1.6
126.09152	2.3
130.05165	1.8
130.06116	18.9
131.01886	8.5
135.07651	1.3
137.02934	1.9
142.05037	2.3
142.08633	13.1
143.01913	49.1
144.06526	4.1
144.07693	7.2
146.66484	1.0
150.06625	17.5
155.01929	8.1
156.97466	2.3
157.03485	4.5
160.07156	15.8
161.02957	100.0
162.08754	6.8
165.26543	1.1
173.02974	18.1
177.09824	7.0
185.02942	5.4
188.05598	7.9
190.57507	1.1
191.04028	8.8
196.07143	2.5
198.98479	2.3
203.04005	28.2
213.09825	19.0
214.08195	1.7
216.99692	1.8
221.04976	5.4
228.09807	1.2
231.10876	20.7
239.06139	4.7
245.05107	1.7
245.12369	7.2
263.06110	33.6
263.09662	7.1
263.13464	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	263.1389
Annotation	L-phenylalanyl-L-proline
Peak:m/z	Relative Intensity
51.83803	0.3
52.05652	0.3
55.14261	0.3
56.05044	0.3
70.06597	18.6
71.71413	0.3
74.83291	0.3
80.36243	0.3
90.84981	0.3
93.07034	0.4
103.05483	2.1
103.58273	0.3
114.05537	0.3
116.07095	81.8
120.08106	100.0
177.07642	0.3
241.57440	0.4
263.13910	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	263.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34949	0.5
56.05047	2.4
70.06598	12.7
86.09711	100.0
104.05331	6.4
107.41625	0.5
124.11284	0.6
130.05058	0.6
133.03152	4.5
136.07578	1.2
150.05852	15.9
150.07004	0.9
168.91939	0.5
169.13388	2.6
184.95187	0.5
215.13887	0.5
250.15120	0.6
263.05276	0.9
263.14206	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	263.1425
Annotation	H-Ile-Met-OH
Peak:m/z	Relative Intensity
51.47434	0.3
56.05042	1.8
56.96578	5.6
59.89072	0.3
60.05658	0.5
64.28535	0.3
69.07076	6.9
70.06600	0.7
74.06104	0.4
74.97621	1.4
76.05151	0.5
83.04372	0.3
84.04520	0.5
84.08147	0.4
86.01656	0.3
86.09712	100.0
91.05491	0.7
92.21436	0.4
102.05556	0.5
104.05321	2.6
114.97065	0.4
116.00513	0.4
116.82019	0.3
120.08118	0.4
130.05017	0.6
132.73106	0.3
132.98128	1.5
133.03201	2.3
136.07652	0.5
143.03844	0.6
150.05832	7.6
150.99159	3.0
161.04865	3.2
169.00218	0.7
169.13358	0.5
175.08681	0.4
179.05952	0.8
208.96298	0.3
263.04486	0.5
263.07193	1.0
263.09988	1.1
263.14236	5.8
263.17108	0.6
280.08972	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	263.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86651	0.5
55.05528	1.2
56.05042	3.1
67.74758	0.6
69.07054	1.0
70.06596	19.0
72.08134	1.3
74.06098	1.4
83.08633	0.7
84.04485	1.0
84.08144	4.9
86.09710	100.0
91.05473	3.0
95.08659	0.6
102.05553	1.5
104.05307	4.5
110.07166	1.1
119.04950	1.2
120.08102	0.8
129.10249	3.8
130.05019	0.7
130.06569	0.7
130.10608	0.8
133.03188	3.0
136.07570	9.5
137.07964	0.9
142.05019	0.6
143.01881	0.8
147.04396	1.0
147.08002	0.7
150.05855	14.9
155.49248	0.6
161.02986	0.8
169.13387	1.2
197.73196	0.6
207.72836	0.6
227.17307	0.7
263.05298	3.4
263.09454	1.0
263.14154	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	263.1487
Annotation	Triethylene glycol diglycidyl ether
Peak:m/z	Relative Intensity
50.64206	0.5
53.03940	1.0
55.01876	3.1
55.05527	6.3
57.03450	6.3
61.02931	10.1
62.48198	0.6
67.05511	1.5
69.03436	17.2
69.07082	1.5
71.01377	0.7
71.04997	22.1
73.02927	4.7
79.05501	2.8
81.03427	8.1
81.07072	4.8
83.04980	2.7
83.08632	6.3
85.02909	100.0
87.04469	2.8
91.03969	5.8
91.05462	0.8
91.95947	0.8
92.21011	0.9
92.21494	0.7
93.07051	4.4
95.04970	1.5
95.08606	4.8
97.02332	1.0
97.02899	19.3
97.06529	1.6
97.37124	0.6
99.04425	4.7
99.08086	1.5
101.02393	0.7
103.03936	0.8
105.07014	2.6
107.08620	3.0
108.47265	0.7
109.02880	7.6
109.06528	1.5
111.04462	0.7
111.08089	6.5
113.09644	1.4
115.03888	1.1
119.08537	1.1
121.06522	2.7
122.06039	0.9
123.08065	3.3
124.18229	0.6
125.09653	0.8
127.03922	22.0
129.09151	2.8
133.06497	0.9
135.08052	1.6
137.09639	1.0
139.07547	5.7
141.09099	3.5
145.04944	17.9
151.07536	2.5
163.06027	1.2
167.10696	1.5
169.08549	0.9
170.51082	0.7
179.10623	1.0
181.27982	0.7
191.10742	1.1
198.06273	0.7
209.11783	2.4
227.12796	1.5
251.90042	0.6
262.98398	0.8
269.44385	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	263.2369
Annotation	4-Dodecylphenol
Peak:m/z	Relative Intensity
55.01907	1.8
55.05513	10.3
57.07075	14.7
67.05179	4.4
67.05511	66.9
69.07069	11.8
70.38697	1.9
71.08652	4.1
75.92204	1.9
79.05499	11.3
81.07061	88.5
83.08627	9.5
85.06537	2.5
91.05482	11.2
92.20991	2.2
93.07043	21.9
95.08611	81.6
97.06519	2.3
97.10175	3.7
99.08121	4.2
105.07017	9.1
107.08610	16.1
109.10155	46.0
111.08098	3.0
113.09631	4.2
119.08596	12.3
121.10123	20.8
123.11707	20.7
124.07088	2.0
133.05139	2.3
133.10104	20.0
135.11699	5.2
137.13232	9.9
147.11696	14.5
149.13300	11.1
151.14844	4.4
161.13261	11.1
163.14798	10.9
165.16353	5.4
175.14839	4.2
179.18059	2.7
181.15862	2.7
227.30360	2.6
245.22612	35.7
263.23697	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2368
Annotation	4-Dodecylphenol
Peak:m/z	Relative Intensity
54.62976	1.9
55.05521	5.5
57.07074	14.0
58.36720	1.7
59.12464	1.9
67.05511	50.1
69.07061	10.9
71.08636	5.1
76.12685	1.9
79.05505	10.7
81.06615	4.3
81.07063	89.1
83.08616	10.0
86.96473	2.3
91.05486	10.6
93.07069	16.9
95.08612	90.1
97.10183	3.9
99.08094	8.7
101.23105	2.0
105.07066	4.2
107.08598	13.3
109.10155	45.4
111.08141	3.0
112.84188	2.4
119.08575	9.7
121.10172	14.2
123.11720	20.8
133.10129	14.9
135.11667	5.0
137.13248	9.4
147.11674	11.1
149.13263	4.6
151.14787	3.5
161.13228	4.1
163.14893	3.7
165.16399	3.0
170.31883	2.5
175.14796	3.7
176.26288	2.4
181.15894	2.3
213.91895	2.4
245.22629	33.5
263.23685	100.0
265.69357	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	263.237
Annotation	4-Dodecylphenol
Peak:m/z	Relative Intensity
56.93929	4.5
57.07085	8.1
67.05520	60.4
69.07066	10.0
71.08608	6.2
72.78455	4.7
79.05495	7.9
81.07064	76.2
83.08605	21.1
91.05466	8.2
93.07052	27.1
95.05007	5.2
95.08613	74.5
97.06556	5.4
97.10209	6.3
98.97585	21.7
104.99306	9.7
105.07031	19.5
107.08623	33.4
109.10139	37.2
111.08109	6.7
116.98585	11.4
119.08572	19.4
121.10131	26.4
123.11688	23.4
124.10096	4.7
133.10126	23.8
135.11700	18.9
147.11673	9.0
149.13264	6.8
158.01285	5.9
161.13313	9.5
198.98846	6.1
209.25244	4.9
245.22537	43.2
263.15991	5.7
263.20898	7.5
263.23697	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.054
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24561	0.7
52.86425	0.9
56.96574	63.8
69.07078	0.9
72.96043	2.1
82.33017	1.0
85.75444	1.1
85.99118	1.1
98.97585	13.6
101.25013	1.1
102.05534	2.1
103.88725	1.1
110.07111	1.1
116.98630	8.8
120.08123	1.7
120.43455	1.0
128.43501	1.2
134.99663	1.8
149.57253	1.1
150.07759	53.8
162.03047	1.4
165.02225	1.5
167.03745	1.5
169.01711	1.2
176.03821	15.4
176.67752	1.2
178.05386	45.1
181.01732	1.1
183.03278	12.2
192.03276	2.0
194.04874	6.2
196.06477	20.3
201.04301	9.5
204.03288	10.1
208.02849	1.6
210.04301	1.4
219.05482	1.3
222.04387	100.0
227.67931	1.0
240.05420	67.4
245.05896	1.0
264.05432	32.5
264.09933	4.1
264.14536	51.2
282.06494	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	264.144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59031	0.6
56.05043	0.8
56.22712	0.6
69.03426	0.9
69.07065	0.8
70.39427	0.6
70.57877	0.7
72.04501	1.0
73.02909	0.9
81.03406	0.9
84.04529	0.8
85.02894	3.6
86.09705	29.6
87.03203	8.5
87.04443	0.8
88.03994	5.4
88.36295	0.7
97.02875	1.2
98.09667	6.6
99.04453	4.5
102.05518	0.9
103.66286	0.7
108.04482	3.8
114.05556	1.1
115.03890	2.5
119.27792	0.7
121.06488	0.7
126.05509	3.2
128.10703	4.9
131.05763	18.5
132.10208	5.7
136.03967	3.7
136.06189	1.1
140.10709	1.3
144.06543	2.6
144.10201	0.9
154.04970	6.0
160.07181	0.8
164.10677	4.1
172.05997	3.0
182.11743	29.2
186.17746	0.7
190.07080	5.1
200.12802	100.0
210.11276	4.9
218.13843	17.3
228.12288	53.0
246.13336	65.7
255.63174	0.9
264.14456	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	264.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
68.34969	0.2
71.13271	0.2
80.98569	0.2
102.79771	0.2
133.10039	0.2
203.14328	4.7
219.17435	100.0
251.17426	0.2
259.03571	0.3
264.23230	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	264.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99308	0.2
75.56241	0.3
76.27783	0.2
83.39145	0.2
94.30721	0.3
112.12878	0.2
183.09599	0.2
192.37004	0.3
203.14319	4.7
219.17432	100.0
264.23334	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	265.1116
Annotation	Thiamine
Peak:m/z	Relative Intensity
54.03475	0.2
69.14690	0.2
74.37304	0.2
78.75493	0.2
81.04115	0.4
81.04551	6.0
89.04425	0.3
97.02890	0.3
98.97573	0.9
122.07153	100.0
126.03728	0.3
140.26727	0.2
144.04790	26.0
170.06241	0.3
170.46971	0.2
192.33101	0.2
219.01828	0.4
265.05994	0.5
265.11197	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	265.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.7
55.01871	2.3
57.03444	4.3
57.07068	3.2
59.05000	2.6
61.02936	8.5
63.75581	0.5
67.05501	2.2
67.22224	0.5
69.03435	19.8
70.33727	0.5
71.01354	0.7
71.04984	2.7
73.02912	5.8
80.22815	0.5
81.03429	5.4
83.04983	1.2
85.02911	100.0
85.06553	9.7
86.07169	0.5
87.04463	3.2
91.03971	4.4
91.61045	0.5
95.05006	0.8
97.02895	19.4
97.06538	2.9
99.04461	4.1
101.02348	0.7
103.03913	0.7
103.07580	3.9
103.08178	0.6
109.02888	9.5
109.06535	1.4
109.65536	0.7
113.05992	0.9
115.03910	1.3
121.06505	0.6
122.07169	5.9
127.03922	23.8
128.19464	0.5
139.07523	0.6
144.04807	1.3
145.04962	21.2
151.07565	0.8
159.40900	0.6
160.80096	0.6
163.06030	1.3
181.08488	0.7
189.23758	0.7
225.01808	0.6
229.10609	0.7
244.31024	0.6
265.09387	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	265.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
54.00980	0.5
55.02714	0.6
55.05499	0.6
56.05038	1.0
57.03434	5.0
57.07073	3.1
58.30219	0.5
59.05000	1.2
61.02931	11.3
67.05505	2.8
69.03434	21.8
70.06582	4.6
71.04990	2.9
72.08157	1.0
73.02917	5.0
74.06094	1.0
75.26624	0.6
81.03423	6.2
81.07058	1.3
83.04978	0.9
84.08145	1.6
85.02908	100.0
85.06541	10.1
86.09717	3.2
87.04480	2.9
87.32175	0.6
91.03954	4.7
93.07007	0.8
95.04983	3.0
95.08620	1.1
96.41425	0.7
97.02895	22.4
97.06541	1.1
99.04449	7.0
103.07566	2.5
109.02879	10.1
109.06524	2.7
113.05981	1.2
115.03915	1.5
116.44856	0.8
121.06520	1.1
122.07163	9.3
127.03911	20.0
129.10234	0.7
136.07530	0.7
138.10457	0.8
139.07596	1.1
144.04810	2.7
145.04959	19.7
149.97801	0.8
151.07552	0.7
163.06029	2.8
163.07422	0.8
179.02286	0.7
181.08516	0.9
183.62282	0.7
201.12372	1.3
205.00102	0.6
211.09712	0.9
247.24130	0.7
265.12308	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	265.1435
Annotation	Hirsutic acid C
Peak:m/z	Relative Intensity
51.77951	1.3
52.45068	1.6
53.20545	1.3
55.05524	10.2
56.05079	2.1
61.34512	1.7
65.03960	2.3
66.73635	1.5
67.05518	9.1
69.03446	17.0
69.07076	2.3
71.05009	7.2
72.07756	3.5
72.08157	100.0
79.05502	3.4
81.07069	11.5
83.05006	3.1
83.08657	2.2
84.08160	2.3
86.09729	7.0
91.05468	12.7
93.07033	25.1
95.04957	27.4
95.08626	10.5
97.02905	3.5
97.06539	8.6
99.04486	3.2
105.03396	2.3
105.07034	28.8
107.04975	3.4
107.08613	10.5
109.02877	2.4
109.06510	18.5
109.10179	2.5
111.04454	22.3
111.08109	8.2
113.06041	11.8
115.03937	2.2
117.07103	3.0
119.08580	44.8
120.08100	41.3
121.02876	10.6
121.06502	24.4
121.10134	13.6
122.07219	3.2
123.08058	18.4
125.06017	2.4
129.07050	7.4
131.08560	23.9
133.06540	6.1
133.10107	12.8
135.08043	48.2
136.07581	8.5
137.09657	11.9
139.03912	4.3
139.07582	7.1
142.07753	2.0
143.08578	10.0
145.06500	11.2
145.10127	22.1
147.08055	27.4
147.11742	8.4
149.06079	2.5
149.09630	8.3
152.05659	39.2
153.04057	1.8
157.10153	15.1
158.07297	12.8
159.08054	28.0
159.11684	30.9
160.74844	1.8
161.05984	2.5
161.09584	26.5
161.13260	2.9
163.07472	2.7
165.09097	21.0
166.08569	12.5
171.11693	8.3
172.08807	14.3
173.09648	15.7
173.13261	18.6
175.07532	51.6
175.11156	25.5
181.10043	2.3
183.11760	11.3
185.09663	3.6
187.11189	32.6
189.07591	2.3
189.09204	10.0
189.12820	10.1
193.08545	14.8
196.08850	2.8
199.11220	12.0
201.12743	28.5
202.08681	3.4
203.10605	30.1
205.12279	4.3
207.10210	2.0
211.11079	14.8
216.21025	1.9
217.12222	15.7
219.13879	7.1
229.12199	16.8
235.13324	7.8
247.13269	33.6
265.11584	4.1
265.14236	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	265.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	25.8
67.05505	24.0
69.03429	39.1
69.07070	10.6
71.05011	6.2
72.08154	94.0
79.05508	12.7
81.07048	24.8
84.96527	5.4
86.09712	8.3
91.05477	24.0
93.07056	41.5
94.37252	6.2
95.04971	45.8
95.08617	30.5
105.07047	56.6
107.08615	7.5
109.02881	7.2
109.06516	39.5
111.04451	27.7
111.08088	6.1
113.06007	13.6
119.08598	80.3
120.08099	42.6
121.02870	35.2
121.06503	48.4
121.10149	11.4
122.07162	8.1
123.08090	25.2
129.06972	9.4
131.08594	43.1
133.06413	8.3
133.10161	26.3
135.08072	80.0
137.09592	11.7
139.03912	6.8
145.06470	10.6
145.10153	28.4
146.54237	6.9
147.08046	55.9
147.11697	29.0
149.09618	11.4
157.10129	31.4
158.07283	22.8
159.08051	51.6
159.11694	63.0
161.06003	6.7
161.09628	50.2
165.09154	23.7
166.08650	7.2
171.08080	7.3
171.11783	9.6
172.08856	14.0
173.09592	34.7
173.13208	23.5
175.07536	86.3
175.11266	41.7
183.11673	14.1
187.11197	60.6
189.12723	12.2
193.08621	28.1
199.11250	24.4
201.05569	7.0
201.12758	42.6
203.10672	50.7
211.11221	25.7
217.12354	25.1
229.12276	32.8
235.22435	6.6
247.13271	60.8
265.08615	12.8
265.14325	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1433
Annotation	Hirsutic acid C
Peak:m/z	Relative Intensity
53.58466	2.9
54.36063	3.2
55.05511	6.4
58.90920	4.0
62.79974	2.7
65.03928	4.3
67.05501	18.4
69.03432	31.1
71.04976	4.6
79.05486	7.3
81.07064	15.1
82.66691	3.1
83.04990	4.1
83.59870	3.2
89.82447	3.3
91.05466	16.1
93.03373	3.9
93.07037	33.7
95.04979	41.5
95.08607	20.0
97.06514	4.2
100.05038	3.6
105.07026	47.6
107.08608	20.8
109.06544	25.3
111.04417	25.9
113.06005	20.7
117.07008	3.7
119.08575	69.9
121.02851	21.5
121.06493	42.6
121.10134	13.4
123.08091	23.4
129.06998	4.8
131.08595	38.4
133.06491	5.8
133.10110	14.9
135.08063	77.2
137.09644	7.3
139.03935	7.5
139.07561	4.5
142.07796	7.7
143.08563	16.0
144.09413	4.1
145.06482	8.3
145.10112	38.1
147.08066	39.6
147.11700	22.5
149.09618	14.0
157.10152	23.8
158.07286	8.4
159.08038	42.2
159.11682	44.6
161.09607	47.5
161.13284	7.4
165.09096	40.1
168.09381	5.9
171.07994	4.4
171.11678	6.6
172.08832	20.0
173.09604	22.7
173.13251	17.1
173.34988	3.6
174.06749	3.9
175.07547	86.4
175.11197	44.0
181.06465	4.7
183.11711	16.6
185.09595	5.0
187.11139	38.8
189.09120	15.1
189.12741	22.7
193.08565	14.6
196.08844	6.9
199.11183	8.2
201.12755	46.3
203.10641	42.3
205.12270	4.9
211.11172	28.3
217.12106	25.9
219.13951	3.8
229.12276	29.6
235.13292	12.4
247.13271	67.2
265.14310	100.0
269.39465	3.5
283.69443	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	265.1546
Annotation	Phe Val
Peak:m/z	Relative Intensity
54.03553	0.1
54.13890	0.1
54.33599	0.1
58.88192	0.1
61.52551	0.1
63.43422	0.1
69.03405	0.2
69.07024	0.2
72.08161	4.4
84.04482	0.2
85.02908	0.2
86.09704	0.2
91.05478	0.6
93.07042	0.3
95.04967	0.2
103.05479	2.0
116.07116	0.2
118.08680	1.7
120.08101	100.0
122.07147	0.7
134.14957	0.1
136.07549	0.3
139.41974	0.2
219.14934	2.1
265.15466	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	265.1546
Annotation	Val Phe
Peak:m/z	Relative Intensity
52.41880	0.2
53.03954	0.4
55.05524	7.8
57.05827	0.5
60.11312	0.2
62.91251	0.2
69.06964	0.2
72.08162	100.0
83.66669	0.2
86.09715	1.2
90.80515	0.2
120.08112	14.9
136.07578	0.3
166.08641	12.0
228.91234	0.3
265.15549	5.4
275.12143	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	265.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83334	1.9
51.66320	2.2
55.01873	2.8
55.05525	33.0
55.14228	2.5
56.35323	2.3
57.07072	17.8
64.76625	2.6
67.05511	42.3
69.07064	52.3
69.41667	2.2
71.08624	13.5
74.06216	2.3
79.05489	17.1
80.69098	3.0
81.07059	63.3
83.08627	37.9
85.10207	3.5
93.07040	18.6
95.08600	73.3
97.06521	11.1
97.10162	41.9
107.08614	25.3
107.10823	2.8
108.57401	2.6
109.10172	33.1
111.08074	5.0
111.11686	10.2
121.10151	48.2
123.08075	3.1
123.11708	16.6
135.11703	39.0
137.13243	4.1
139.11145	4.3
141.09103	3.0
145.10065	3.4
149.13295	14.2
165.16302	3.7
167.92902	2.9
223.19887	3.1
247.24135	27.6
249.43518	2.8
265.21747	15.1
265.25217	100.0
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
55.05523	32.1
55.50995	2.2
57.07080	18.5
66.33009	2.1
67.05511	34.2
69.07074	45.8
71.08637	12.5
75.91809	2.2
78.28764	2.4
79.05484	13.5
81.07069	49.9
83.08614	42.5
85.10172	3.4
93.07037	20.6
95.08601	42.4
97.06544	12.8
97.10170	31.7
107.08590	19.8
109.10164	29.1
111.08077	11.1
111.11720	6.3
121.10134	48.7
123.11723	10.5
135.11694	35.4
137.13171	3.1
149.13271	6.5
152.03134	2.5
165.16467	3.9
205.19168	3.6
230.35518	2.5
247.24158	34.7
265.22403	5.1
265.25241	100.0
284.56177	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	266.102
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04533	6.0
61.29660	0.4
65.27619	0.4
70.02952	0.9
73.36461	0.4
77.58099	0.4
88.03992	44.5
91.04900	1.0
91.05482	65.5
102.05545	100.0
107.94572	0.4
118.48576	0.4
130.05035	1.0
135.86023	0.4
146.05998	1.6
148.06046	51.1
198.34294	0.4
206.08165	2.4
220.09686	6.1
228.21130	0.5
234.07672	2.5
248.09128	2.8
249.52548	0.4
266.10065	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	266.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46726	0.9
52.94612	0.9
59.52151	0.9
69.03433	4.7
70.06616	1.8
73.02913	1.8
81.03438	2.2
85.02902	4.7
86.06080	12.9
87.04472	21.0
97.02868	10.6
98.06058	27.7
99.04465	1.2
104.07113	7.0
104.10740	16.7
111.36479	1.0
114.60928	1.1
115.03904	1.2
116.07089	14.4
126.05581	1.6
127.03934	7.4
128.07077	8.2
134.03256	11.3
140.07181	1.1
144.06522	4.3
146.02022	1.4
162.07645	1.2
163.02757	1.0
164.03221	1.2
164.07030	2.3
166.50800	1.1
170.08183	1.4
182.08119	16.2
194.08130	6.5
208.02419	1.1
211.06480	1.1
212.09140	1.8
230.10197	23.8
239.41093	1.1
248.11285	100.0
249.49808	1.3
266.07581	4.1
266.12375	23.0
266.15964	24.7
281.18796	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	266.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.6
55.13186	1.4
79.25689	1.6
81.07092	2.0
83.08633	4.2
90.74438	1.5
93.07037	3.5
94.04053	11.9
95.04930	2.2
96.05647	2.1
109.45231	1.8
112.05075	3.4
120.07033	1.6
123.62111	1.7
124.05106	1.9
138.06607	11.7
140.04550	8.9
146.07152	2.2
150.06615	26.3
160.08691	3.2
162.06584	2.2
162.10265	3.1
168.33467	1.8
174.10355	6.0
202.13400	28.2
204.14984	1.9
212.11815	7.4
220.14377	14.2
230.12895	55.9
248.13934	100.0
266.15005	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	266.161
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91629	0.2
52.97832	0.2
54.45621	0.2
55.05506	0.2
59.05001	0.4
61.02923	1.0
68.19762	0.2
68.80089	0.2
70.06602	0.3
71.04987	1.7
72.08169	0.4
73.02849	0.2
81.07069	1.9
84.05426	0.2
90.24070	0.3
94.04011	0.3
113.09612	0.3
119.03543	0.5
128.72443	0.2
136.06187	100.0
137.04575	0.4
234.13486	23.2
253.82283	0.3
266.09100	1.1
266.16104	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	266.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.8
56.52675	0.8
57.07071	1.1
57.30972	0.7
60.05661	9.2
63.54781	0.6
67.05499	1.9
67.36565	0.7
69.03421	0.9
69.07074	48.7
70.06598	36.9
70.06985	1.1
71.04985	10.8
79.05488	3.7
81.07063	72.9
88.07632	5.4
95.08620	17.5
106.06699	0.8
109.02950	0.8
109.10190	0.8
111.48861	0.7
112.08730	8.4
112.24510	0.8
130.09766	70.8
137.13274	4.6
215.77179	0.8
248.21091	0.9
266.22266	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0975
Annotation	Dinex
Peak:m/z	Relative Intensity
52.98240	0.1
53.93925	0.1
59.05009	1.4
61.66932	0.1
63.08713	0.1
66.09970	0.1
67.05499	0.6
70.06589	0.1
71.35725	0.1
76.02054	0.1
81.04552	0.2
84.08158	0.3
85.02927	0.2
86.09691	0.2
87.04470	2.0
94.06564	2.3
100.03986	1.0
101.02288	0.1
105.05505	0.7
106.06553	0.8
109.02795	0.2
118.05003	0.8
120.08105	0.7
122.06058	2.1
122.07106	1.6
129.10234	0.2
136.06195	0.5
143.00125	0.2
146.04378	0.2
147.93123	0.1
147.94444	0.2
150.05505	100.0
165.05426	0.1
165.06615	0.2
165.88356	0.1
166.07079	0.5
168.06554	1.5
189.10031	0.2
207.01744	0.2
249.12376	0.2
266.06360	0.1
267.01392	1.7
267.03918	0.3
267.09717	5.3
267.13034	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	267.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26883	0.4
53.95953	0.4
56.96577	1.1
60.04528	1.0
68.75117	0.5
74.06081	1.1
80.04510	0.4
80.04990	0.6
81.03432	0.8
81.07014	0.5
103.40469	0.5
108.08125	0.7
108.10259	0.4
116.08199	1.8
116.41373	0.5
120.08103	11.9
132.08896	0.7
136.07564	0.6
148.11214	1.2
164.10796	0.5
173.23248	0.6
180.10194	6.6
198.08046	0.9
207.11299	2.3
208.06480	1.1
216.09042	1.2
218.10661	0.8
226.07486	23.0
236.11739	0.7
244.08563	100.0
250.83798	0.5
262.09610	31.9
267.10156	1.9
267.13208	0.6
267.18265	0.6
267.79605	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	267.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88715	0.6
55.01883	1.4
55.05522	6.5
57.03188	0.9
57.03445	19.3
59.05002	0.6
60.85052	0.6
61.02642	0.8
61.02937	17.3
64.13510	0.5
69.03435	61.1
71.04985	3.6
73.02924	3.6
75.04492	0.6
81.03432	7.8
83.04984	15.3
85.02428	1.3
85.02906	21.5
87.04460	2.6
91.03973	8.8
91.05481	5.4
93.07047	50.0
95.04972	2.8
95.08591	1.3
99.04465	3.4
103.03964	1.1
105.07032	9.1
111.04459	13.4
121.06507	100.0
123.11693	0.6
129.05467	10.8
141.72128	0.7
143.08672	0.8
147.06512	9.5
158.62010	0.6
177.42058	0.8
178.04509	0.6
184.10802	0.6
190.64052	0.6
267.12192	0.6
267.21100	2.8
267.64328	0.6
277.83163	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	267.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	3.0
57.03448	3.2
59.04036	0.3
61.02935	2.1
67.05517	0.6
69.03443	10.2
71.04998	10.9
71.68628	0.3
81.03421	1.6
81.07034	1.3
83.04990	15.7
85.02912	3.3
87.04443	0.5
91.03976	0.7
91.05470	0.6
92.21341	0.6
93.07050	9.2
95.04974	0.6
95.08635	0.8
99.04457	0.4
101.06047	3.6
105.07039	0.8
107.04964	100.0
107.08575	0.6
111.04441	1.8
113.05994	0.4
114.22533	0.4
119.04933	3.0
119.08587	0.4
121.06512	19.9
121.10109	0.5
121.39932	0.4
129.05501	2.1
137.85706	0.4
147.06555	0.8
149.06082	0.9
151.11208	0.6
153.09091	0.4
158.47841	0.4
159.08032	6.0
161.08072	2.0
161.40979	0.4
186.43523	0.4
203.54285	0.4
235.16867	0.6
267.12277	38.5
267.24084	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	267.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.9
56.85946	0.5
57.03414	0.8
69.03420	2.6
71.04992	10.3
71.55322	0.6
79.05508	1.6
81.03415	0.8
81.07050	1.3
83.04987	13.6
83.08607	0.8
85.06505	0.9
91.05503	0.9
93.07024	3.2
95.04961	1.1
95.08566	1.3
101.06024	5.5
101.94960	0.6
107.04953	100.0
107.08591	1.1
109.10122	0.9
113.06046	0.7
119.04939	18.6
121.06527	5.7
121.10138	0.7
125.81878	0.7
133.10136	0.7
140.99994	0.7
149.05939	0.9
159.08063	5.1
161.08127	0.9
182.30704	0.7
198.91367	0.7
202.00317	0.7
249.18307	0.8
267.12238	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	267.1338
Annotation	Phe Thr
Peak:m/z	Relative Intensity
52.75613	0.2
56.05036	1.4
61.36027	0.3
70.06572	0.3
72.04504	1.3
74.06083	2.3
76.05120	0.3
78.18318	0.3
84.04474	0.4
84.08137	1.9
86.09706	0.7
93.07040	0.4
102.05548	1.3
103.05447	2.0
104.60562	0.3
108.08136	2.7
116.08261	0.3
118.05030	2.1
120.06624	4.5
120.08101	100.0
129.10223	0.6
130.05049	0.5
148.11252	0.5
176.10655	0.3
194.82153	0.3
201.75789	0.3
206.09422	0.3
210.11258	0.6
210.54749	0.3
226.01575	0.3
239.43375	0.3
249.12311	1.9
267.13361	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	267.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27766	0.8
52.58523	0.9
54.80025	0.8
55.01887	1.1
55.05510	5.8
57.03440	4.8
67.05514	22.4
69.07077	10.6
71.05006	2.2
76.54829	1.2
79.05493	9.9
81.03418	1.5
81.07066	67.1
83.04981	5.9
83.05442	1.1
83.08624	6.5
85.06529	4.7
91.05479	14.8
93.07034	7.7
95.04974	2.3
95.08609	21.6
97.06535	6.3
99.08073	2.5
101.06033	1.2
105.07044	26.3
107.08594	10.3
109.06519	6.1
109.10133	1.7
119.08586	18.5
121.10153	18.5
123.08060	5.2
123.11712	25.3
127.07548	1.4
133.10144	2.2
137.41283	1.1
147.11690	51.2
152.44589	1.2
157.10095	1.2
165.12746	14.9
193.12263	1.3
267.15897	100.0
267.20551	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	267.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05528	3.8
56.76383	3.1
57.03442	3.5
59.16657	2.7
65.41872	2.7
67.05511	20.7
68.89643	2.9
69.07066	4.9
79.05484	6.6
81.07064	63.3
83.04986	5.1
83.05454	2.7
83.08628	6.6
85.06570	3.4
91.05491	17.4
93.07053	3.7
95.04984	4.0
95.08613	19.1
97.06524	3.4
97.38229	2.9
99.08085	3.2
105.07055	27.0
107.08582	6.5
109.10152	3.5
119.08568	23.1
121.10147	15.2
123.11710	31.2
135.76285	3.1
147.11687	43.7
165.12744	11.5
181.55658	3.0
193.71524	3.3
221.00793	3.0
267.15857	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	267.1585
Annotation	Mukaadial
Peak:m/z	Relative Intensity
54.30016	1.0
55.05505	7.7
57.03438	9.0
60.05653	9.8
67.05508	23.0
69.03408	1.2
69.07069	22.0
71.05002	2.5
72.08160	19.4
79.05520	11.8
81.03413	18.5
81.07060	68.7
83.04967	6.6
83.08630	9.9
85.06533	3.3
90.39122	1.3
91.05474	18.3
93.07034	9.5
95.04956	3.1
95.08616	25.6
97.06531	3.0
97.10130	1.3
99.08070	5.9
103.60472	1.2
104.93333	1.4
105.07037	19.6
107.08588	9.0
108.17049	1.4
109.06495	6.5
109.10147	6.3
109.92456	1.3
114.10310	10.3
119.08575	24.0
121.10130	16.7
123.08055	5.8
123.11704	15.2
125.09643	2.0
126.56119	1.2
127.07415	1.5
129.06938	1.6
131.08507	3.1
131.12872	2.2
133.10132	5.4
137.09595	1.4
144.50139	1.3
147.08026	1.2
147.10585	2.5
147.11688	46.2
149.09694	1.2
157.10106	5.0
157.60614	1.3
165.12717	17.5
175.11098	2.2
196.18108	2.5
249.18434	1.7
267.11810	4.7
267.15872	100.0
267.25418	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	267.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.1
55.05524	7.3
57.03431	4.2
57.07085	1.4
67.05511	23.8
69.07073	13.0
70.23487	0.9
71.04967	1.4
71.11483	1.0
79.05500	10.2
79.81278	0.9
81.03424	1.4
81.07063	66.3
83.04987	7.2
83.08622	9.3
85.06532	4.9
91.05482	18.0
93.07062	9.0
95.04964	1.7
95.08607	21.9
97.06521	7.7
99.08083	2.2
105.06341	1.0
105.07035	25.7
107.08589	9.7
109.06522	2.4
109.10158	1.7
119.08585	22.9
121.10148	18.3
123.08017	4.6
123.11703	22.4
124.30133	1.1
125.09596	1.9
127.07586	1.0
133.10097	5.4
137.13245	1.3
141.09137	1.4
147.08014	1.4
147.11687	52.2
151.11172	1.4
157.10098	1.9
159.11708	1.5
165.12737	16.0
175.11229	1.6
183.11584	1.2
193.12131	1.1
197.13315	2.2
211.14816	1.7
225.11235	1.6
225.16394	1.3
267.15857	100.0
267.20935	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	267.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62361	0.5
55.01870	0.7
55.05521	5.6
57.03433	3.4
60.05665	4.1
67.05511	21.3
69.07072	14.2
71.04980	2.9
72.08160	6.1
79.05495	10.2
81.03426	0.9
81.07062	68.5
83.04996	5.1
83.05422	0.8
83.08633	6.6
83.77622	0.6
85.06565	4.2
85.06961	0.5
91.05478	15.3
93.07051	8.6
95.04974	1.2
95.08604	17.3
97.06535	5.4
97.10185	0.6
99.04474	0.6
99.08092	3.4
99.77302	0.6
100.28053	0.5
101.06011	0.8
102.29099	0.6
105.06326	1.0
105.07034	24.8
107.08593	9.6
109.06519	3.6
109.10134	2.4
111.08061	1.0
113.05981	0.6
114.10296	4.0
119.08573	19.4
121.10140	15.6
123.08056	4.1
123.11706	20.7
127.07552	2.6
131.08594	0.7
131.12943	2.7
133.10135	5.0
135.11685	0.8
137.09587	0.8
137.13252	1.2
141.09119	1.0
145.10117	0.6
147.11684	50.5
157.10110	2.3
164.01601	2.9
165.12749	18.8
175.11177	1.3
183.13737	1.1
193.12199	1.2
196.18007	0.6
249.18466	0.7
250.42519	0.6
267.15894	100.0
267.25391	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	267.1588
Annotation	Xanthoxic acid
Peak:m/z	Relative Intensity
53.03940	0.7
55.01871	1.6
55.05522	6.5
57.03448	7.7
64.14090	0.6
67.05189	0.9
67.05514	18.3
69.03436	1.0
69.07081	10.8
71.04982	2.8
73.06575	0.6
74.14394	0.6
74.39708	0.6
75.67154	0.7
79.05499	8.8
81.03429	16.8
81.07063	58.8
83.04996	6.4
83.08631	8.9
85.06532	3.3
91.05489	13.7
91.07638	0.6
93.07050	7.5
95.04982	6.0
95.08608	18.1
97.06541	5.2
97.10149	1.3
99.08091	3.5
101.06045	1.2
105.07039	22.0
107.04910	0.8
107.08600	8.7
109.06515	4.5
109.10143	2.7
111.08089	2.9
119.08592	17.8
121.10144	15.5
123.08069	7.1
123.11720	20.6
125.09576	0.8
127.07568	1.3
129.06981	1.3
131.08546	2.6
133.10120	3.4
137.09619	1.3
137.13303	1.1
145.10155	1.0
147.07996	0.7
147.11697	37.1
149.09602	1.3
157.10153	4.3
165.12761	14.8
175.11186	4.1
185.04634	0.8
191.60933	0.7
191.87137	0.7
193.12270	4.9
201.24188	0.8
249.11003	0.7
249.14798	1.1
249.18452	0.9
249.59651	0.6
267.15894	100.0
287.01767	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	6.9
56.20731	1.0
57.03429	6.1
62.93266	1.3
65.74966	1.2
67.05507	24.1
69.07067	13.3
71.04958	1.7
79.05494	8.7
81.03409	6.5
81.07063	67.1
83.04993	10.1
83.08633	8.5
85.06532	2.4
91.05476	21.6
92.20886	1.1
92.66572	1.1
93.07045	12.2
95.04949	1.8
95.08606	17.9
97.06509	6.4
97.10139	1.6
99.04429	1.1
99.08106	1.5
105.01849	1.3
105.07034	27.1
107.08611	10.2
109.06509	4.7
109.10117	1.9
111.08042	1.8
119.08577	22.6
121.10145	15.2
123.08026	2.6
123.11702	21.5
129.07127	1.6
131.08569	1.7
133.10103	7.2
143.58496	1.3
145.10114	1.7
147.10591	2.1
147.11688	55.1
149.09676	1.3
157.10117	5.2
159.11633	1.8
165.12758	17.4
169.10156	1.3
171.11638	2.4
175.11180	2.3
181.10156	1.5
187.63882	1.2
191.05478	1.1
193.12259	1.4
196.12514	2.3
197.13246	6.2
211.14793	6.8
225.16431	2.6
228.66319	1.2
237.16409	1.8
239.67650	1.2
252.18710	2.6
262.39191	1.4
263.79410	1.3
267.15872	100.0
267.21005	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	267.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	5.6
57.03460	3.1
67.05514	23.0
69.07065	15.4
79.05508	10.5
81.07066	54.4
83.04994	6.2
83.08627	4.3
87.81777	2.4
91.05491	16.6
93.07046	6.1
95.08601	24.4
97.06513	4.0
99.43160	2.4
105.07038	21.9
107.08585	10.8
109.06534	3.7
116.15517	2.9
119.08607	20.3
121.10149	16.6
123.08058	4.9
123.11721	18.3
147.11691	47.7
165.12740	18.2
221.22406	3.0
246.88101	2.4
267.15881	100.0
278.31583	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	267.1954
Annotation	Juvenile hormone III
Peak:m/z	Relative Intensity
53.03942	1.9
55.05526	17.5
57.03453	2.5
60.84007	1.6
67.05511	57.2
69.03434	4.4
69.07082	31.8
71.04983	1.8
79.05504	73.4
81.07061	64.3
83.04977	7.6
83.08626	15.6
85.06535	2.6
87.08099	2.0
91.05485	82.3
93.07048	100.0
95.04964	10.1
95.08617	48.5
97.06522	10.1
97.10168	13.8
98.98481	14.9
99.08109	2.3
105.07034	33.7
107.08598	57.8
109.06517	11.5
109.10187	21.5
111.08125	1.8
117.07020	53.7
119.08585	33.4
121.06567	2.4
121.10146	82.7
123.08070	8.5
123.11732	4.1
129.07005	10.2
131.08578	45.6
133.10139	31.1
135.08078	11.3
135.11665	13.0
137.09621	11.9
139.11163	3.9
143.08513	14.4
145.10091	3.8
147.11703	14.3
151.09866	2.1
151.11145	2.5
157.10117	15.4
161.13339	2.0
171.11655	3.7
173.13164	2.2
175.14861	3.7
189.16373	19.0
191.54669	2.0
199.14775	23.6
207.17477	7.5
210.20984	1.9
217.15881	27.7
235.16916	77.8
247.50792	1.9
253.17834	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	267.1953
Annotation	Juvenile hormone III
Peak:m/z	Relative Intensity
54.27670	2.3
55.05517	11.9
56.38062	2.7
57.03436	11.8
57.05380	2.4
57.07074	3.3
59.89748	2.1
59.91694	2.5
67.05221	3.3
67.05516	48.0
69.03432	11.8
69.07066	20.5
79.05499	67.4
81.03409	5.2
81.07063	66.2
83.04990	6.4
83.08626	15.2
85.06544	5.5
91.05479	44.8
93.07055	100.0
95.04955	4.0
95.08615	48.4
97.06547	6.9
97.10165	6.3
99.08092	3.5
105.07056	23.9
106.16674	3.0
107.08600	50.7
109.10165	21.7
111.08081	5.4
117.07027	17.1
119.08586	32.7
121.06514	27.0
121.10135	56.5
123.08018	6.5
123.11742	3.2
131.08578	27.9
133.10143	31.4
135.07999	4.5
135.11678	16.8
137.09618	4.6
143.08565	5.5
145.10063	4.3
147.11678	11.6
157.10124	14.9
171.11612	5.4
173.13269	12.3
175.14780	6.5
189.16393	15.0
191.14316	3.3
199.14795	12.7
217.15839	16.6
235.16934	21.9
251.53819	3.1
254.27940	3.9
267.19611	6.2
267.21051	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	267.1954
Annotation	Juvenile hormone III
Peak:m/z	Relative Intensity
53.03963	1.0
55.01878	1.3
55.05518	7.8
57.03433	1.8
57.07093	1.1
67.02272	0.8
67.05520	10.7
69.07070	6.5
71.04987	1.1
77.61924	0.7
79.05498	20.3
81.03433	1.0
81.07063	88.9
83.04980	1.8
83.08621	7.0
91.05476	4.9
93.07047	20.2
93.87554	0.8
95.04969	1.6
95.08613	18.2
97.06557	1.7
97.10185	7.1
105.07044	8.1
107.08598	25.4
109.06524	100.0
109.10152	5.7
111.08092	4.9
112.62501	0.9
117.07025	1.7
119.08582	19.3
121.10132	11.5
123.08079	8.7
123.11685	1.7
125.09623	11.0
129.07050	1.4
131.08556	2.1
133.10143	12.9
135.08075	4.2
135.11673	3.8
137.09641	2.1
143.08594	1.6
145.10103	1.1
145.65425	0.8
147.11690	7.2
149.09479	0.9
153.09151	2.0
157.10155	2.2
161.13225	1.7
173.13319	1.3
175.11180	1.1
175.14795	5.8
189.16313	7.3
199.14787	9.1
203.12752	5.0
207.17451	5.0
209.40749	0.9
217.15796	6.1
235.16907	81.4
262.09738	0.9
267.21014	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	267.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07204	1.3
53.03932	2.4
55.01877	2.3
55.05521	18.4
55.35617	1.3
57.03432	12.1
57.07065	2.2
59.32215	1.5
59.88033	1.4
59.91503	1.3
61.02929	2.8
67.05176	2.8
67.05511	50.2
69.03435	20.7
69.07071	22.4
71.04988	4.0
73.04756	1.5
75.39773	1.5
79.05076	3.3
79.05502	68.0
81.03438	2.9
81.06614	3.2
81.07063	68.4
83.04978	9.6
83.08620	14.5
85.02907	8.0
85.06540	2.8
89.39087	1.4
91.03983	2.6
91.05479	61.8
91.94020	1.8
93.07046	100.0
95.04968	8.7
95.08609	57.6
97.06529	10.1
97.10171	8.4
99.08132	1.9
102.55051	1.7
105.04541	2.2
105.07037	34.3
107.04924	2.1
107.08604	63.8
109.06515	7.6
109.10167	19.9
111.04423	4.1
111.08078	7.1
117.07032	21.9
119.08580	40.4
121.06505	36.0
121.10146	81.6
123.08089	11.1
123.11707	3.2
125.09634	3.0
129.05475	3.2
129.07037	3.7
131.08569	36.9
133.10123	33.6
135.08038	13.1
135.11699	16.9
137.09637	9.8
139.11189	2.2
142.07735	1.7
143.08578	8.1
145.10114	8.0
147.11673	13.4
149.09650	2.7
151.11188	3.2
157.10112	16.9
161.13208	2.5
171.11694	10.5
173.13260	11.6
175.11107	2.1
175.14857	10.2
189.16437	17.6
199.14813	20.6
207.17413	3.6
217.15862	13.9
220.16187	2.0
224.01141	2.2
235.16931	31.3
249.18550	3.1
267.21338	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	267.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84623	1.3
55.01882	3.1
55.05524	17.5
56.54401	1.1
57.03449	1.6
57.07082	2.1
67.05513	16.3
68.99800	3.2
69.03436	39.9
69.07066	6.8
79.05500	11.3
81.03444	1.4
81.07060	28.9
83.04987	67.3
83.08614	6.4
85.06545	1.5
87.97621	1.2
89.19450	1.4
91.05502	11.6
93.07068	22.6
95.04960	5.8
95.08607	32.2
95.83949	1.2
97.06531	8.5
97.10183	3.0
105.07035	7.9
107.08595	16.6
109.06528	15.4
109.10166	26.9
111.08092	27.1
119.08584	11.7
121.10136	7.7
123.08083	11.6
123.11709	8.5
125.06002	60.7
131.08566	2.0
133.10132	19.7
135.07999	1.8
135.11671	3.3
137.09619	10.6
143.08456	1.9
147.11726	6.4
149.13202	2.3
151.11226	6.6
157.10146	2.6
161.13304	1.7
165.16370	2.7
175.14825	2.8
189.16319	6.6
199.14920	2.0
207.17491	11.9
217.15909	5.7
226.21782	1.5
235.16925	100.0
267.19464	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	267.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21717	0.3
51.92717	0.3
55.05522	0.7
55.74406	0.4
57.03424	0.6
62.07630	0.4
67.05503	2.5
68.14738	0.5
69.07083	0.9
79.05480	0.6
81.03412	2.4
81.07063	2.3
83.08630	0.9
86.73898	0.4
91.05509	0.8
93.07028	1.2
95.04967	0.5
95.08601	2.4
96.08209	0.5
105.07063	0.9
107.08606	0.7
109.06479	0.6
109.10163	2.4
119.08576	3.0
121.10146	2.2
123.08051	0.8
131.08546	0.7
132.78441	0.6
133.10146	2.1
135.11688	0.6
145.10156	0.8
147.11681	0.9
151.11165	0.6
155.08548	2.4
157.10138	3.2
159.11693	1.1
169.10159	5.0
170.10869	0.7
171.11711	3.5
182.10944	1.0
183.11694	7.0
185.13237	4.8
191.32095	0.5
195.11662	0.6
196.12477	2.9
197.13278	8.6
199.14845	1.1
209.13293	2.0
210.14030	2.5
211.14812	11.6
212.15549	1.2
213.16342	0.7
223.14728	0.8
224.15572	0.6
225.16359	12.0
231.17583	0.7
237.16330	3.3
238.02473	0.5
238.17061	0.5
249.18474	2.8
252.18672	6.2
267.21075	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.7
57.04538	0.4
57.07076	0.8
65.03928	0.4
65.18172	0.4
67.05510	0.9
69.07057	2.9
71.05015	0.9
71.08624	1.0
73.57360	0.4
79.05502	0.6
81.07072	3.8
82.25502	0.4
82.35144	0.4
83.08613	2.1
92.20898	0.5
92.89304	0.4
93.07040	0.6
95.08610	4.6
97.10188	1.1
105.07042	0.9
107.08584	0.8
109.10147	4.6
119.08543	0.9
121.10145	0.9
123.11683	2.1
130.33952	0.4
133.10139	0.7
135.11662	0.7
143.08571	0.8
145.10109	1.0
147.11685	0.8
155.01846	0.4
155.08499	2.0
157.10114	3.7
159.11739	3.7
162.67133	0.4
169.10126	4.8
170.10831	0.5
171.11693	2.4
173.13245	1.0
181.10068	0.6
182.10928	0.7
183.11752	5.2
185.13225	3.9
195.11763	1.8
196.12540	3.5
197.13284	7.4
199.14832	0.7
209.13254	1.7
210.14053	2.3
211.14807	12.5
212.15570	2.0
223.14856	0.8
224.15457	0.8
225.16400	10.1
237.16316	4.3
239.17973	0.9
252.18666	5.7
267.21060	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78115	0.6
53.97517	0.7
60.05656	34.7
62.54246	0.7
67.05509	0.9
69.07069	29.1
70.06613	0.7
72.08157	51.2
79.05506	1.4
81.07060	41.5
87.46138	0.7
93.05214	0.7
95.08599	8.5
97.07650	4.1
114.10288	35.8
131.12930	22.6
135.99214	0.7
137.13263	1.3
151.97343	0.9
196.18057	5.2
225.23207	0.9
240.50613	0.7
261.39200	0.9
267.25418	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0264
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94315	2.0
70.95872	8.8
72.93790	20.1
76.14806	1.4
81.03432	2.2
81.07076	1.8
85.02903	6.8
86.95369	1.7
88.96897	2.4
90.94824	29.4
95.06201	1.3
100.39345	1.6
108.95905	2.4
116.96363	8.6
118.94235	1.5
126.98444	2.8
128.96342	6.4
129.10269	1.4
130.91022	1.3
130.97954	4.8
134.97409	2.1
136.06203	2.3
138.98404	1.4
141.00000	14.1
142.97874	2.2
144.95848	16.9
144.99463	2.0
145.04922	2.1
146.97421	9.2
148.98949	2.4
154.97873	5.4
159.01027	17.0
160.95335	1.3
162.96890	30.1
164.98497	2.0
164.99959	4.6
166.97911	9.5
170.97304	2.7
171.58025	1.2
172.98953	5.9
180.99445	9.8
183.01042	24.2
184.98940	11.0
188.98506	1.8
196.99025	1.5
199.00523	21.8
201.02106	17.6
203.00073	4.6
208.06015	3.1
208.99028	5.1
212.98482	1.2
214.99966	1.7
216.91171	1.3
217.01593	1.6
226.97813	2.8
226.99992	60.2
242.49071	1.5
245.01073	100.0
250.01187	1.3
268.02640	1.8
268.16449	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	268.0264
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94315	2.0
70.95872	8.8
72.93790	20.1
76.14806	1.4
81.03432	2.2
81.07076	1.8
85.02903	6.8
86.95369	1.7
88.96897	2.4
90.94824	29.4
95.06201	1.3
100.39345	1.6
108.95905	2.4
116.96363	8.6
118.94235	1.5
126.98444	2.8
128.96342	6.4
129.10269	1.4
130.91022	1.3
130.97954	4.8
134.97409	2.1
136.06203	2.3
138.98404	1.4
141.00000	14.1
142.97874	2.2
144.95848	16.9
144.99463	2.0
145.04922	2.1
146.97421	9.2
148.98949	2.4
154.97873	5.4
159.01027	17.0
160.95335	1.3
162.96890	30.1
164.98497	2.0
164.99959	4.6
166.97911	9.5
170.97304	2.7
171.58025	1.2
172.98953	5.9
180.99445	9.8
183.01042	24.2
184.98940	11.0
188.98506	1.8
196.99025	1.5
199.00523	21.8
201.02106	17.6
203.00073	4.6
208.06015	3.1
208.99028	5.1
212.98482	1.2
214.99966	1.7
216.91171	1.3
217.01593	1.6
226.97813	2.8
226.99992	60.2
242.49071	1.5
245.01073	100.0
250.01187	1.3
268.02640	1.8
268.16449	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	268.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.2
57.03441	0.3
57.48796	0.1
60.04531	0.2
65.92834	0.2
69.03449	0.2
70.06583	0.8
71.01305	0.2
74.06089	1.3
84.04503	0.2
84.08144	0.9
85.02908	0.4
86.09705	0.7
87.04489	0.3
97.08315	0.1
110.07169	0.3
112.08785	0.2
115.03971	0.2
119.03503	0.3
120.08110	0.7
121.08415	0.4
126.51024	0.2
129.10242	1.1
133.04990	0.2
136.06192	100.0
149.02754	0.2
150.05557	0.3
151.05815	0.3
152.05659	2.8
268.10416	7.9
268.13272	0.4
270.79657	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	268.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66280	0.3
52.66574	0.2
53.03956	0.4
54.27134	0.2
60.04496	0.3
61.04041	0.2
67.80016	0.3
69.03414	0.3
70.06606	0.5
84.08141	1.3
84.61034	0.3
87.04489	0.5
91.05473	0.7
93.07066	2.1
94.72912	0.3
95.04971	0.4
98.06074	3.3
107.04975	0.6
109.06570	0.3
111.05552	1.2
111.08073	2.3
117.06965	0.3
117.11685	0.3
117.95510	0.3
120.08092	0.6
121.06483	1.4
122.06010	1.6
126.05472	0.5
129.93015	0.3
134.09662	2.3
135.08046	0.7
136.06198	0.7
136.07590	4.7
137.05963	0.4
138.09212	0.3
140.07086	2.5
150.09044	0.3
151.90529	0.3
152.10678	1.3
162.09132	16.5
163.07501	0.5
163.40547	0.3
180.10185	26.9
190.08592	3.4
190.45810	0.4
208.09686	100.0
222.07491	0.4
233.09250	0.5
250.10521	1.3
250.12654	1.4
251.10246	2.4
268.13132	3.7
268.16470	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.227
Annotation	Allopumiliotoxin 267A
Peak:m/z	Relative Intensity
55.01874	26.6
55.05515	24.2
57.03437	3.3
57.07078	4.6
57.54422	2.0
63.89044	2.3
67.05511	48.9
69.07076	82.2
79.05506	34.4
81.07066	52.3
83.04981	3.5
83.08632	18.2
89.96486	2.2
91.05486	2.8
93.07044	67.0
94.60846	2.4
95.08607	50.1
97.06524	10.7
97.10150	15.3
103.05410	2.5
105.07039	3.2
107.08602	60.2
109.06496	2.8
109.10152	43.3
111.08060	6.1
111.11719	5.5
121.09291	4.9
121.10143	100.0
123.11684	35.1
125.06001	5.0
125.09627	4.3
131.08595	2.5
133.10132	5.2
135.11696	70.2
136.06189	3.7
137.13263	4.7
137.28314	2.5
139.07559	13.3
139.11191	59.8
145.10069	3.0
147.11638	4.9
149.09642	5.1
149.13269	24.6
151.11259	4.3
153.09062	3.5
156.10164	4.5
163.11188	3.3
163.14859	4.9
167.10718	3.3
173.13255	3.7
205.19507	94.6
215.17934	24.7
233.19026	38.6
251.20035	52.4
268.22739	47.4
269.21072	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	268.227
Annotation	Allopumiliotoxin 267A
Peak:m/z	Relative Intensity
55.05511	3.1
56.62912	1.2
57.03449	2.2
57.07082	1.8
67.05511	20.0
69.07066	5.7
71.04995	2.3
71.08632	100.0
79.05485	7.0
81.07065	23.3
83.08620	2.9
91.05482	2.4
93.07045	11.2
95.08610	31.5
97.06533	3.2
99.08094	84.1
99.08739	3.3
107.08580	6.0
109.10152	18.1
119.08566	12.9
121.10161	3.5
123.11670	2.8
127.11185	9.1
133.10109	6.4
135.08121	1.5
135.11713	25.7
137.09634	8.4
141.09094	44.4
149.09570	2.1
149.13254	2.2
153.12714	14.8
153.54701	1.4
163.11238	2.0
167.14165	1.7
170.15404	2.9
176.24164	1.5
196.46748	1.5
205.19466	2.0
215.17929	3.3
233.18990	9.7
251.20030	55.4
268.22632	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	268.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01912	1.1
55.05523	21.5
57.07079	22.7
58.06590	1.2
59.50768	1.1
67.05498	8.6
69.06701	1.8
69.07072	48.1
71.08628	17.3
72.04507	1.5
72.08151	2.9
73.57070	1.3
79.05499	2.5
81.07060	18.3
83.08624	43.5
85.10176	7.0
86.06069	8.7
86.09697	2.1
91.05467	1.4
93.07033	11.3
95.08610	21.0
97.06530	13.0
97.10175	36.2
100.07629	13.8
104.93353	1.1
105.98414	1.5
107.08635	9.6
109.10147	12.0
111.08092	10.2
111.11723	10.1
111.38439	1.6
114.09156	16.2
121.10164	12.6
123.11726	3.4
125.09624	8.4
127.60851	1.3
128.10742	5.5
135.11707	17.6
137.13228	1.7
139.11191	2.7
142.12253	2.6
149.13290	10.5
151.14804	2.2
153.12762	2.6
156.13808	2.1
163.14775	2.8
171.29640	1.6
177.16458	2.1
184.10004	1.7
184.16928	1.6
209.53632	1.3
211.07849	1.2
223.17068	1.4
226.25340	2.6
233.22643	23.4
248.74254	1.3
251.23724	21.5
261.44162	1.5
268.26349	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	268.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	19.1
57.03436	2.2
57.07080	31.6
60.77713	2.1
67.05508	10.0
69.07076	59.2
71.08633	20.0
72.08175	3.6
75.15440	2.4
79.05480	3.8
81.07073	21.0
83.04967	2.4
83.08627	53.4
85.10163	9.4
86.06064	5.0
93.07032	11.5
95.08615	18.8
97.06538	14.8
97.10169	45.3
100.07625	17.2
107.08605	13.1
109.10162	15.8
111.08075	14.4
111.11706	12.4
112.98519	2.4
114.09142	15.1
117.77320	2.3
119.83358	2.4
121.10136	20.2
123.11693	3.1
125.09631	6.2
128.10733	4.3
131.46855	2.6
135.11705	21.6
137.13234	2.7
139.11157	3.7
148.38464	2.6
149.13271	13.5
150.49161	2.5
151.14828	3.1
163.14723	4.6
177.16373	4.0
189.20274	2.7
192.80783	2.5
202.28973	2.5
233.22723	20.3
234.97623	2.7
251.23674	21.6
268.26367	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	268.9459
Annotation	Unknow
Peak:m/z	Relative Intensity
83.23499	6.8
99.93095	6.7
111.77166	6.6
122.12933	6.8
124.25335	6.8
131.19875	7.2
134.96107	15.8
164.93515	18.1
198.22357	8.0
250.93286	9.2
268.94583	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.946
Annotation	Unknow
Peak:m/z	Relative Intensity
61.11858	2.6
88.03585	3.1
94.93005	16.7
97.03230	2.9
98.76076	3.2
110.07168	4.3
134.96120	13.1
136.07579	19.0
138.05556	4.6
156.07631	3.6
164.93471	26.3
178.95084	7.3
182.08067	3.6
182.29880	3.4
188.93484	4.3
192.96655	12.2
203.31157	3.0
250.93582	13.0
251.61940	3.3
268.94577	100.0
268.98080	13.3
269.05331	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	269.0803
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.1
60.94141	0.1
66.60905	0.1
67.05499	0.2
71.47100	0.2
79.05460	0.2
81.07069	0.7
92.21571	0.2
93.07004	0.3
94.42476	0.2
107.04963	1.3
108.02155	0.1
118.04155	2.2
133.06509	0.2
136.01544	0.3
137.02339	0.7
154.02623	0.8
162.88855	0.2
163.03903	0.3
197.05928	0.2
210.61525	0.2
213.09105	5.8
225.05478	0.2
226.06204	2.3
237.05452	4.4
241.08658	0.3
253.04930	2.8
254.03064	0.3
254.05728	7.4
269.08075	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0806
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62739	0.5
55.05521	0.9
57.03440	1.8
67.05510	4.4
69.07058	0.9
72.03663	0.4
72.98026	0.4
79.05498	2.3
81.07061	6.3
83.04992	5.1
83.08633	1.8
85.02898	0.5
91.05482	0.8
93.07045	4.5
95.04960	0.5
95.08600	2.6
97.06541	0.7
105.07055	1.0
107.04952	2.2
107.08595	2.3
107.50843	0.4
111.04464	1.1
111.08076	0.5
118.04156	2.5
121.10153	2.0
131.08563	0.9
133.10118	0.5
135.11703	0.9
149.13252	2.2
159.11714	1.7
177.12660	0.6
213.09122	6.9
226.06265	1.6
237.05473	5.3
253.04964	2.9
254.05788	7.9
269.08081	100.0
269.17453	5.2
269.22546	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	269.0803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67795	0.1
57.03433	0.2
67.05498	0.6
72.04500	0.2
76.88961	0.1
79.05505	0.2
80.12094	0.2
81.07044	0.7
83.08591	0.2
89.23223	0.1
93.07023	0.6
95.08568	0.1
95.50248	0.1
107.04939	1.3
118.04158	2.2
120.48725	0.2
121.10143	0.2
130.75516	0.1
133.06487	0.2
136.01541	0.6
137.02332	0.8
147.04472	0.1
154.02621	1.0
163.03937	0.2
181.06493	0.2
197.05952	0.8
213.09087	7.0
225.05417	0.3
226.06190	1.8
237.05449	4.4
239.55884	0.2
241.08528	0.6
253.04910	2.7
254.03036	0.4
254.05708	8.6
269.08054	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.2
57.03433	3.2
58.36305	0.4
58.56509	0.4
62.26686	0.4
62.41644	0.4
67.05514	6.4
69.07067	3.0
71.04990	0.5
78.46880	0.5
79.05495	3.0
81.07057	10.3
83.04980	0.8
83.08621	2.7
87.63695	0.5
91.05497	0.7
93.07038	8.7
95.08598	2.8
97.06544	0.7
105.07024	1.1
107.04924	0.9
107.08607	4.2
111.08097	1.0
117.07026	1.0
118.04147	2.1
121.10098	1.0
123.11661	0.8
131.08601	0.7
133.10129	2.4
135.08154	0.5
135.11684	1.8
142.06458	0.5
149.13289	4.8
154.02637	0.9
159.11612	3.4
177.12892	0.7
195.13808	0.8
213.09091	6.8
226.06194	2.1
237.05475	6.0
245.17532	0.5
253.05013	3.2
254.05742	9.0
269.08075	100.0
269.13809	2.9
269.17383	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	269.0806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75024	0.2
62.64254	0.2
65.08266	0.2
66.40922	0.2
67.05505	0.4
69.07059	0.3
81.07066	0.4
84.04907	0.2
89.28412	0.2
93.07047	0.4
98.64486	0.2
107.08594	0.4
108.02122	0.3
117.41090	0.2
118.53649	0.3
119.40225	0.2
121.23942	0.2
129.85986	0.2
134.08424	0.2
137.41423	0.2
145.02805	0.8
149.13274	0.3
151.03839	0.9
151.52260	0.3
197.41023	0.3
226.06230	2.7
254.05782	4.5
269.08072	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93814	0.2
53.11207	0.2
53.38966	0.2
56.52846	0.2
57.03408	0.2
60.50710	0.2
67.05487	0.2
67.99698	0.2
73.08923	0.2
83.08482	0.2
107.04942	1.3
118.04154	2.2
123.02241	0.2
137.02287	0.9
154.02620	1.1
155.01865	0.2
163.03879	0.3
170.96817	0.2
197.05862	0.3
199.07458	0.3
213.09081	5.6
226.06143	1.8
237.05437	4.4
253.04871	2.5
254.05713	7.7
269.08060	100.0
287.70776	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	269.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00248	0.2
63.02365	0.3
72.55798	0.2
73.86858	0.2
79.05546	0.3
81.07067	1.6
85.06557	0.3
87.24217	0.2
89.03913	2.8
97.75201	0.2
107.04956	0.3
109.06531	1.6
110.07121	0.2
117.03390	9.5
121.06519	0.2
127.07577	0.5
127.30095	0.2
134.03650	0.9
135.04388	0.9
137.05994	0.8
145.02852	69.8
145.10036	0.2
149.05984	5.8
163.03912	0.5
177.05467	100.0
186.05475	0.3
251.08971	0.3
269.09988	0.3
269.19315	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	269.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68604	0.5
55.05513	4.0
57.03449	5.4
58.25272	0.7
61.31857	0.7
62.08797	0.7
62.30858	0.6
67.05513	12.7
69.07066	6.1
69.40194	0.7
71.04998	1.5
79.05494	8.6
81.07067	20.2
83.04982	1.6
83.08618	4.3
85.06547	1.4
91.05486	4.8
93.07050	12.4
95.04975	1.2
95.08585	6.4
96.32520	0.8
97.06543	4.7
97.10175	1.2
99.08092	1.3
105.07015	0.9
107.04974	0.9
107.08596	6.8
109.10124	1.2
111.08103	3.0
117.07033	1.9
119.08518	1.1
121.10168	4.1
123.11665	0.9
131.08582	1.8
132.21371	0.7
133.10152	4.3
134.44727	0.8
135.11702	3.5
147.74205	0.8
149.13234	7.5
159.11694	5.8
177.12758	4.3
195.13821	3.2
201.99323	0.7
213.11130	0.8
228.06100	1.1
246.07294	4.9
251.13936	3.4
264.08441	1.7
269.07986	9.3
269.13602	100.0
269.17404	15.8
269.24884	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	269.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.1
55.05518	2.7
57.07066	0.5
67.05511	7.9
69.03439	1.1
69.07064	7.9
71.04988	3.3
79.05505	10.5
81.07064	13.7
83.04988	5.4
83.08643	1.1
85.06529	1.1
91.05486	6.4
91.71043	0.6
93.07050	19.9
95.04983	6.3
95.08613	16.2
97.02893	1.3
97.06546	11.3
99.04465	5.8
99.08078	0.9
101.06007	0.7
101.32572	0.6
105.07045	16.7
107.04962	11.1
107.07925	0.9
107.08600	17.1
109.06532	4.3
109.10187	2.4
111.08088	2.3
112.26978	0.5
117.07032	4.8
119.04935	1.3
119.08604	6.1
121.06508	15.5
121.10133	6.6
123.08041	1.2
123.11649	0.8
125.05996	8.4
125.59196	0.5
127.07542	0.8
131.08595	3.7
133.06496	2.9
133.10152	3.6
134.53226	0.6
135.08084	4.3
135.11702	17.0
135.76726	0.5
135.78195	0.6
137.05995	4.1
137.13228	2.4
139.07541	2.8
141.06987	0.8
143.07065	0.9
143.08565	0.9
145.06470	1.3
145.10127	39.9
147.08092	1.3
147.11684	5.1
149.05920	1.0
149.13271	2.3
151.07562	0.7
153.12747	1.2
154.07822	0.6
155.07016	0.8
155.08498	0.8
157.08774	0.6
157.10040	0.7
158.07277	0.9
159.08105	2.9
159.11694	13.0
161.13159	0.8
163.11176	100.0
169.10124	2.9
172.08771	0.9
173.09621	29.3
177.12708	1.1
179.08583	1.0
181.12236	15.5
187.11172	14.5
189.12779	2.7
191.10669	13.6
195.13881	0.7
197.09633	3.4
205.12250	8.2
209.11697	2.3
215.10689	12.0
227.12755	5.5
233.11755	15.0
244.92125	0.6
251.12747	2.4
251.19948	0.7
269.04736	0.6
269.13428	1.0
269.17374	2.2
269.22656	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	269.1606
Annotation	His Leu
Peak:m/z	Relative Intensity
51.16623	0.1
55.05505	0.2
60.04529	1.6
77.49422	0.2
81.04563	0.2
83.06110	3.6
84.08120	0.3
86.09702	1.7
93.04533	2.8
95.06074	0.3
102.98637	0.2
110.07163	100.0
119.04993	0.3
121.03991	0.8
134.68747	0.2
136.07582	3.0
137.04582	2.2
138.06624	2.6
156.07680	6.7
165.05432	1.0
166.06003	0.2
178.13388	3.2
182.08142	0.9
193.09875	0.2
206.12843	0.3
223.10837	0.4
223.15524	5.4
234.12465	0.3
251.15033	7.1
269.11395	0.6
269.16055	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	269.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	18.4
57.03447	34.1
57.87260	1.9
61.76787	2.3
62.95204	2.3
67.05507	58.3
69.07066	34.4
71.04990	4.7
79.05498	37.1
81.07060	100.0
83.04964	10.3
83.08625	21.6
85.06553	5.9
91.05480	12.9
93.07042	77.0
95.04976	3.0
95.08615	31.7
97.06526	14.6
99.08115	2.8
105.07047	3.7
107.08610	40.0
109.06504	3.1
109.10139	5.1
111.08083	9.5
117.07037	10.0
119.08506	3.5
121.10142	21.6
123.11719	2.5
131.08589	11.3
133.10124	9.4
135.11688	11.0
136.97195	3.0
149.13239	44.0
159.11685	21.2
167.14357	2.8
174.35881	2.3
177.12752	12.8
195.08086	4.0
195.13803	12.6
242.01724	2.3
269.17474	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	269.1745
Annotation	dihydroartemisinic acid hydroperoxide
Peak:m/z	Relative Intensity
53.00280	2.0
55.05516	12.3
55.65926	2.0
57.03449	27.8
67.05180	3.6
67.05511	68.6
69.07074	22.8
71.04969	3.4
79.05499	38.7
81.07061	89.1
83.04984	5.6
83.08616	19.0
85.06544	5.1
91.05463	22.4
93.07043	79.3
95.05015	3.8
95.08609	26.9
95.26261	2.7
97.06523	19.5
99.08124	5.8
105.07012	10.4
107.08593	47.1
109.10163	2.4
109.73244	2.5
111.08067	9.0
117.07020	15.9
121.10128	18.2
131.08582	12.3
133.10114	14.4
135.11700	14.2
149.13281	36.5
159.11690	31.0
172.64621	2.5
177.12767	15.8
180.77159	2.5
195.13785	20.1
217.17667	2.7
233.70032	2.5
269.17456	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	269.1745
Annotation	dihydroartemisinic acid hydroperoxide
Peak:m/z	Relative Intensity
55.05515	13.8
57.03453	23.9
57.07090	3.1
63.52853	2.3
67.05515	73.0
69.07085	23.0
70.65691	2.6
71.04971	3.5
75.00678	2.5
79.05507	32.1
81.07070	94.2
83.04994	4.6
83.08627	18.5
85.06567	5.2
91.05492	19.7
93.07058	72.3
95.08607	27.5
95.92922	2.7
97.06530	16.2
97.10131	2.6
99.08080	4.7
105.07092	5.6
107.08606	35.5
108.56218	2.8
109.10194	3.9
111.08116	9.4
117.07080	9.4
121.10143	23.0
124.09756	2.8
131.08606	6.6
133.10139	20.0
135.11711	13.6
149.13284	43.8
159.11713	33.6
167.14195	2.9
177.12762	12.3
179.14314	2.7
195.13817	11.1
209.67812	2.6
269.17505	100.0
270.89072	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	269.1744
Annotation	dihydroartemisinic acid hydroperoxide
Peak:m/z	Relative Intensity
55.05517	14.7
57.03447	26.1
60.01809	1.7
67.05188	2.9
67.05513	62.1
69.07071	24.1
71.04980	9.3
77.26002	2.0
79.05498	33.7
81.07063	88.2
83.04980	8.1
83.08611	18.5
85.02923	2.3
85.06503	1.8
91.05479	15.5
93.06479	3.5
93.07040	73.0
95.04967	4.2
95.08607	26.6
97.06518	13.0
97.10168	3.0
99.08052	2.8
105.07011	10.1
107.08596	39.8
109.10159	4.9
111.08066	8.7
117.07014	11.5
119.08566	2.5
121.10094	19.4
131.08534	9.2
133.10132	17.0
135.11682	14.1
147.11707	3.2
149.13245	44.7
155.96812	2.7
159.11703	22.0
177.12741	10.1
195.13792	13.1
269.17462	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	269.1745
Annotation	dihydroartemisinic acid hydroperoxide
Peak:m/z	Relative Intensity
55.01868	2.4
55.05512	12.8
55.74254	1.9
57.03443	23.2
57.07030	2.2
57.20449	2.5
57.66819	1.8
67.05178	3.4
67.05509	60.3
69.07079	18.8
71.04985	4.5
79.05501	36.5
80.09830	2.4
81.03436	2.5
81.07061	87.7
83.04987	11.7
83.08625	23.0
85.06566	2.7
91.05463	24.3
93.07043	77.0
95.04945	4.3
95.08620	22.2
97.06519	16.7
105.07018	5.4
107.08597	39.3
109.10202	3.6
111.08054	9.1
113.09660	3.0
113.59235	2.0
117.07009	12.8
121.10143	14.4
123.11744	4.4
131.08533	15.0
133.10159	16.3
134.73062	2.5
135.11705	12.0
138.87395	2.0
149.13261	34.5
159.11685	29.6
177.12714	16.9
179.14375	2.7
194.31854	2.7
195.13821	19.9
238.29620	2.4
269.17462	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	269.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.8
55.05517	16.0
57.03439	33.4
57.43369	2.5
59.71166	2.7
60.04737	2.4
67.05513	70.1
69.07069	24.1
71.04994	3.5
74.60188	2.3
75.92316	2.2
79.05501	43.0
81.06618	5.3
81.07065	100.0
83.04984	13.2
83.08611	18.3
85.06545	5.7
91.05491	19.8
92.20965	2.8
93.07048	69.9
95.04958	3.5
95.08613	26.0
97.06531	13.4
99.08131	3.2
105.07069	5.9
107.08581	31.4
111.08091	6.5
117.07027	11.6
121.10173	22.3
131.08543	13.1
133.10117	14.6
135.11723	13.7
149.13260	28.0
159.11697	18.6
165.45482	2.8
177.12718	10.0
195.13820	18.6
269.17465	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	269.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.2
55.01876	1.2
55.05518	14.7
55.20997	0.9
57.03184	1.7
57.03444	28.5
57.07075	4.9
65.03959	1.6
67.05511	53.7
69.07072	24.9
71.04985	7.2
73.82888	1.1
79.05075	2.0
79.05500	35.2
81.03423	1.3
81.07065	76.1
81.07549	2.6
83.04983	11.0
83.08629	17.8
85.06543	5.2
87.70418	1.0
88.18105	1.0
91.05479	15.5
93.07048	62.1
95.04964	5.8
95.08614	26.6
97.06527	13.3
99.08073	2.5
104.78368	1.2
105.07011	6.8
107.08601	39.3
109.06539	2.5
109.10178	5.1
111.08086	9.3
117.06999	9.2
119.08561	2.8
121.10159	18.7
123.11712	4.9
131.08551	9.1
133.10133	13.0
135.11708	9.1
149.13266	35.5
158.15764	1.2
159.11676	18.7
177.12729	10.9
195.08049	8.0
195.13817	12.8
269.08032	5.0
269.17465	100.0
269.29416	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	269.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.3
55.05524	30.7
57.03438	11.1
57.07076	4.1
58.72966	1.7
67.05515	74.8
67.05886	3.0
69.07075	36.5
71.04990	9.1
79.05500	30.1
79.39898	1.6
80.31493	1.7
81.07064	100.0
83.04977	8.4
83.08625	30.7
85.06533	10.3
91.05476	10.1
93.07047	49.1
95.04976	3.0
95.08612	75.3
97.06527	15.9
97.10174	39.6
99.04469	2.8
99.08089	3.7
105.07068	4.3
107.08592	38.5
109.10162	66.3
111.08081	7.7
117.06990	4.1
119.08577	13.0
121.10157	37.4
123.08066	2.0
123.11713	23.9
125.09640	23.9
131.08638	15.2
131.09462	2.1
133.10126	19.0
135.08067	7.8
135.11713	24.3
137.09651	3.8
137.13251	2.3
138.26460	2.0
139.11177	3.3
145.10114	11.1
145.11226	2.0
147.11685	9.2
149.09648	2.4
149.13277	23.5
157.10136	4.0
159.11691	21.3
161.13237	3.8
163.11116	2.0
163.14877	2.5
173.11745	2.4
173.13193	6.9
177.12721	3.8
177.45357	2.0
182.87085	1.8
185.13353	1.8
187.14857	2.0
195.13800	7.6
199.14828	2.1
205.19470	3.0
209.15018	1.9
211.14818	2.6
215.17955	11.3
227.18044	2.6
233.18961	24.6
241.19438	2.0
251.20062	91.6
269.17468	26.0
269.21100	10.9
269.22702	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	269.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31789	0.0
53.00316	0.2
55.01882	0.1
55.05515	0.4
55.05748	0.0
55.18190	0.0
56.05048	0.0
57.00856	0.0
57.03437	0.1
57.07077	4.0
58.06604	0.1
59.03510	0.0
59.03749	0.1
60.04545	0.1
60.04973	0.0
63.33539	0.0
65.37822	0.0
67.05496	0.2
69.07067	1.0
71.04989	0.4
71.08630	1.7
72.04097	0.1
72.04542	0.2
72.08167	0.2
74.06078	2.3
79.05503	0.1
81.07048	0.4
83.04977	0.1
83.08620	0.6
84.08097	0.0
85.06538	0.1
85.10181	0.8
85.10656	0.0
86.06051	0.3
86.09699	0.1
88.07626	10.1
93.07041	0.2
95.08607	0.5
97.06519	0.2
97.10165	0.3
100.07603	0.6
102.09178	5.9
107.08608	0.1
109.10139	0.2
111.08066	0.2
111.11716	0.1
114.09178	0.2
116.10725	1.9
121.10152	0.1
123.11661	0.0
125.09604	0.1
128.10722	0.1
130.12268	0.9
135.11694	0.1
139.11205	0.1
144.13843	0.4
149.13266	0.1
154.15086	0.0
158.15417	0.3
172.16924	0.2
186.18500	0.1
191.17873	0.0
195.08038	0.2
200.20053	0.0
228.23209	100.0
246.24260	0.1
269.08258	0.1
269.17520	0.1
269.25851	0.7
286.14893	0.0
292.00772	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41881	0.8
70.06583	1.1
72.38286	0.8
74.04347	0.7
85.04039	12.7
91.14497	0.8
94.79106	0.9
108.05611	11.0
124.34064	1.0
126.05525	29.1
126.06551	1.9
136.05070	4.7
140.08183	1.3
144.07675	4.0
154.04973	6.6
154.06120	13.2
156.13884	1.0
164.04526	3.9
168.07683	100.0
169.06079	2.1
178.06105	1.4
186.07570	4.9
186.08852	3.8
196.07309	6.7
210.08754	30.9
214.08148	6.9
228.09776	68.5
252.16992	1.2
270.10855	90.4
270.18063	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	270.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05531	13.2
67.05518	14.7
69.03455	2.2
69.07094	4.6
72.94388	2.0
79.05491	19.5
81.07053	51.8
81.07488	2.4
83.08620	16.5
86.06123	2.5
91.05452	15.2
93.07043	23.3
95.08616	18.1
97.10165	42.1
99.08131	2.1
104.30829	2.1
105.07053	8.3
107.08594	41.6
107.09231	2.0
109.06521	60.3
109.10170	9.3
111.08116	4.2
117.07001	18.1
119.08583	4.7
121.10147	17.9
124.11249	8.6
125.09615	43.2
125.10440	2.4
131.08568	20.0
133.10135	5.0
135.08057	24.9
137.09613	4.4
142.12234	17.5
143.08594	7.7
152.10735	8.5
153.09129	20.4
157.10146	3.7
170.11746	100.0
173.51259	2.1
175.14833	2.5
189.11211	4.5
189.16301	14.7
199.14815	17.6
207.00259	2.5
207.17499	4.4
217.16043	14.2
235.16922	69.6
235.19067	3.6
252.19531	72.5
270.08569	3.6
270.20535	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	270.206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	16.1
55.97652	2.1
56.32727	1.8
56.82212	2.1
57.06862	1.8
57.07089	35.1
67.05505	39.3
69.07074	32.0
71.08624	3.8
75.03471	2.5
79.05490	24.5
81.07059	56.1
82.07391	3.7
83.04974	2.6
83.08616	23.8
83.73912	2.3
85.06538	9.6
85.10177	10.8
91.05479	25.2
93.07053	44.7
95.04979	3.9
95.08605	53.2
97.06521	14.0
97.10170	17.2
99.08080	4.2
105.07031	10.5
107.08588	40.5
109.06521	2.5
109.10150	37.4
111.08111	18.8
111.11732	4.9
113.09653	12.3
116.27596	2.5
117.06985	8.6
119.08578	38.3
121.10136	50.3
123.08034	17.7
123.11701	11.9
125.05997	11.8
125.09664	3.5
127.11189	9.2
131.08578	9.4
133.10123	41.3
135.08066	14.0
135.11716	5.2
137.09624	35.1
137.13252	2.5
139.07535	2.6
139.11130	2.7
143.08574	4.4
147.11688	12.4
149.09627	3.1
151.11162	10.0
157.10126	4.2
161.13203	3.1
173.13332	2.9
175.14807	9.3
189.16293	16.9
192.33395	2.4
199.14763	22.7
217.15866	28.0
217.19516	11.9
234.18558	3.8
235.16919	100.0
235.20618	10.8
252.19655	29.8
253.17995	5.6
253.21432	8.1
254.99214	2.4
270.17969	3.2
270.20743	3.5
270.24350	16.1
271.22647	23.2
286.13065	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	270.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	29.4
57.03452	3.7
57.06820	5.2
57.07082	100.0
64.71617	3.5
67.05510	54.4
69.07069	68.5
71.08617	3.5
79.05486	21.9
80.76457	3.3
81.07060	80.5
83.08622	54.1
85.06564	5.0
85.10191	51.2
91.05483	17.2
92.05772	5.1
93.07014	38.1
93.31191	3.6
95.08615	83.5
97.06532	16.6
97.10152	46.3
99.08089	5.4
101.22859	3.7
104.89788	3.3
105.07040	15.3
107.08604	48.7
109.06524	3.9
109.10150	58.2
111.08093	17.6
111.11725	19.3
113.09627	40.8
117.07028	6.3
119.08576	33.8
121.10155	37.0
123.08064	23.1
123.11734	34.6
125.05992	14.6
125.09595	6.8
125.13266	6.9
127.11205	33.6
131.08620	5.4
133.10118	44.2
135.11703	16.1
137.09624	45.3
137.13255	7.5
139.07507	6.9
139.11171	3.8
145.10091	3.7
147.11691	21.0
151.11227	14.1
151.14842	7.6
153.12711	4.3
161.13228	14.5
165.00977	3.6
165.12659	6.4
175.14813	8.0
189.16293	8.6
193.19637	4.5
199.14822	15.9
207.21094	6.0
217.15858	19.8
217.19551	36.1
235.16933	62.6
235.20644	30.8
252.19499	20.9
253.21631	20.4
270.17963	5.4
270.24243	55.0
271.22610	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	270.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	29.4
57.03452	3.7
57.06820	5.2
57.07082	100.0
64.71617	3.5
67.05510	54.4
69.07069	68.5
71.08617	3.5
79.05486	21.9
80.76457	3.3
81.07060	80.5
83.08622	54.1
85.06564	5.0
85.10191	51.2
91.05483	17.2
92.05772	5.1
93.07014	38.1
93.31191	3.6
95.08615	83.5
97.06532	16.6
97.10152	46.3
99.08089	5.4
101.22859	3.7
104.89788	3.3
105.07040	15.3
107.08604	48.7
109.06524	3.9
109.10150	58.2
111.08093	17.6
111.11725	19.3
113.09627	40.8
117.07028	6.3
119.08576	33.8
121.10155	37.0
123.08064	23.1
123.11734	34.6
125.05992	14.6
125.09595	6.8
125.13266	6.9
127.11205	33.6
131.08620	5.4
133.10118	44.2
135.11703	16.1
137.09624	45.3
137.13255	7.5
139.07507	6.9
139.11171	3.8
145.10091	3.7
147.11691	21.0
151.11227	14.1
151.14842	7.6
153.12711	4.3
161.13228	14.5
165.00977	3.6
165.12659	6.4
175.14813	8.0
189.16293	8.6
193.19637	4.5
199.14822	15.9
207.21094	6.0
217.15858	19.8
217.19551	36.1
235.16933	62.6
235.20644	30.8
252.19499	20.9
253.21631	20.4
270.17963	5.4
270.24243	55.0
271.22610	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	270.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	11.7
57.03182	2.6
57.03447	44.4
57.07086	3.0
62.27044	1.6
65.30447	1.5
67.05518	16.0
69.07072	30.2
70.44863	1.4
71.04993	2.2
71.08627	2.4
81.07056	34.1
83.08620	18.3
85.06557	11.9
85.10200	2.0
88.07632	7.0
93.07058	2.7
95.08614	48.7
97.10176	37.1
99.06818	1.6
99.08121	2.2
105.57853	1.6
107.08588	3.5
109.10155	38.0
111.11715	11.7
113.09588	2.0
119.08598	2.4
121.10147	13.1
122.79244	1.4
123.11702	19.1
125.13259	1.7
133.10129	2.6
135.11740	11.5
137.13269	7.2
147.11664	2.9
151.14796	3.1
161.13257	3.7
175.14859	3.0
179.14279	2.1
195.07907	2.1
196.08406	2.8
207.21066	9.6
217.19496	10.4
225.22113	3.3
235.20593	10.3
242.24969	1.7
253.21724	7.2
270.24307	41.0
271.22687	100.0
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
55.05525	13.3
57.03443	1.8
57.07072	6.4
67.05512	14.8
69.06703	2.1
69.07072	32.2
70.41743	1.1
71.04996	68.3
71.08627	2.8
79.05483	2.9
81.07065	31.8
83.08626	22.5
85.06537	1.5
85.10174	1.8
88.07611	5.4
93.07038	6.6
95.08611	35.1
97.10175	19.7
99.08070	9.9
105.07033	2.5
107.08549	4.7
109.10149	24.6
111.08083	1.8
111.11697	10.8
113.09641	1.9
115.11207	2.4
115.95966	1.5
119.08561	3.0
120.52241	1.2
121.10151	6.6
123.08098	1.3
123.11700	13.5
125.09702	1.6
125.13276	1.2
133.10130	6.9
135.11667	8.3
137.09595	2.3
137.13234	7.1
139.11189	1.4
147.11700	6.9
149.13249	6.3
151.11212	1.6
151.14827	3.0
153.12729	1.6
161.13237	5.4
165.12712	2.8
175.14821	1.9
207.21048	7.2
217.19505	10.7
225.22113	9.1
227.19345	1.6
235.20604	5.7
253.21669	6.5
270.13287	1.7
270.24234	39.1
271.22684	100.0
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
55.05521	12.3
57.07082	11.4
67.05508	18.7
69.07073	41.2
69.44572	1.4
71.08635	89.5
73.06580	1.6
76.73897	1.3
79.05483	6.5
81.07061	34.6
83.08628	31.4
85.06511	1.8
87.08139	1.8
91.05505	2.0
93.07040	14.2
95.08614	27.9
97.06508	3.6
97.10174	21.4
99.07464	3.1
99.08093	75.9
105.07035	2.2
107.08588	3.4
109.10154	18.3
111.11734	10.5
112.41189	1.7
119.08552	3.3
121.10149	25.5
123.11710	14.5
125.09643	2.1
125.13229	1.9
127.11190	3.5
133.10165	12.7
135.11713	3.6
137.09731	1.7
137.13243	8.1
139.11218	3.1
147.11702	10.6
151.11169	1.9
151.14816	3.6
153.12714	5.9
161.13301	7.4
165.12689	2.4
175.14801	1.9
179.14357	3.4
207.21091	6.7
217.19492	19.6
225.22130	9.5
235.20656	13.1
253.21582	3.0
270.24298	41.0
271.22659	100.0
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
55.05508	16.9
57.07084	100.0
59.20122	3.9
67.05498	25.2
69.07069	37.4
77.67313	3.3
78.36537	4.5
79.05463	5.7
81.07071	42.4
83.08617	30.0
85.10172	6.9
91.05502	4.4
93.07056	14.4
94.67930	3.6
95.08604	49.7
97.10164	22.1
105.07007	4.2
107.08598	6.3
109.10159	43.5
111.11694	9.3
113.09652	4.7
119.08533	8.0
121.10119	8.0
123.11707	8.8
127.11195	47.7
133.10132	9.2
135.11699	8.0
146.91794	4.0
147.11659	5.2
161.13242	6.5
207.21109	7.6
211.04390	4.1
217.19527	23.4
235.20496	28.7
253.21646	17.5
270.17667	4.6
270.24283	41.7
270.27676	4.0
271.22586	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	270.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18637	1.2
55.05513	11.2
57.06820	2.7
57.07083	48.8
67.05511	41.4
69.07069	37.4
69.76157	1.5
71.08237	1.7
71.08630	49.4
71.39281	1.5
74.06234	1.4
79.05490	5.9
81.07063	100.0
83.08615	26.1
85.10185	2.0
87.67628	1.5
91.05477	6.3
93.07045	3.1
95.08611	94.6
97.06534	3.1
97.10165	20.8
105.07055	2.3
107.08580	3.9
109.10158	65.4
111.11751	13.9
119.08573	3.5
121.10126	12.5
123.08116	1.8
123.11725	36.4
125.13260	8.6
133.10123	9.8
135.11703	12.2
137.09641	3.5
137.13226	14.0
141.12740	29.9
147.11691	6.5
149.13248	2.6
151.11179	2.6
151.14835	9.3
155.10713	1.7
161.13254	6.5
165.16290	1.9
175.14821	3.5
207.21045	27.2
217.19484	33.6
234.22191	1.6
235.20575	33.3
253.21599	44.9
263.61047	2.0
270.24307	40.8
271.22614	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	270.279
Annotation	Capsi-amide
Peak:m/z	Relative Intensity
56.79202	0.7
57.07079	7.5
59.90190	0.7
66.30296	0.7
66.37283	0.7
69.07056	1.7
71.08621	4.4
74.06087	2.9
79.62301	0.7
88.07632	14.1
102.09151	9.3
107.54414	0.7
116.10735	3.6
130.12285	0.9
136.17439	0.8
144.13841	1.0
162.34146	0.9
170.25154	0.9
178.15326	0.8
188.61697	0.8
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	270.279
Annotation	Capsi-amide
Peak:m/z	Relative Intensity
56.46169	0.4
57.07075	2.7
58.02962	1.7
60.81010	0.4
62.14774	0.4
68.24101	0.4
69.07069	0.5
71.08624	0.7
74.98257	0.4
76.37880	0.4
88.07627	1.8
90.56533	0.4
102.09184	5.6
116.10728	3.6
130.12282	0.5
196.08333	0.6
269.06235	0.5
270.27914	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	271.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
55.05521	0.9
56.05057	0.6
57.03439	1.4
61.02940	1.5
65.22481	0.5
67.05504	1.3
67.53830	0.7
69.03434	4.7
69.07065	1.2
70.06596	0.6
71.05008	1.3
71.42518	0.6
72.08144	0.8
73.02937	0.7
81.03437	1.4
81.07076	2.8
83.08627	0.7
84.05632	100.0
84.08180	0.7
85.02909	18.1
85.03384	1.1
85.06547	0.8
86.09724	3.1
91.05482	90.5
93.07082	1.1
95.04967	1.3
95.08600	1.0
97.02888	13.2
97.06548	0.8
99.04468	3.2
99.08128	0.7
99.22326	0.6
107.08611	0.7
109.02905	4.8
109.10182	1.3
111.08139	0.9
113.07148	2.6
117.07033	0.9
118.06557	7.7
121.06486	0.7
121.10170	0.7
123.08080	1.1
127.03914	6.5
130.05037	0.7
130.06564	1.0
133.10147	1.0
137.05972	1.1
142.06224	3.4
143.07303	0.8
144.08089	11.6
145.04973	2.7
146.06006	64.1
146.29201	0.7
153.07085	0.7
157.07643	0.7
161.81781	0.7
165.07048	2.7
170.06073	3.4
183.08093	1.2
188.07062	51.5
211.07648	3.7
229.09808	0.8
235.13475	0.9
239.07092	0.8
253.09488	0.8
271.11981	39.0
271.14435	1.5
271.16989	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	271.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
62.80158	0.7
64.53223	0.6
69.03435	0.9
69.07066	1.3
73.02912	0.8
81.03423	0.8
81.07072	1.3
83.08611	0.7
83.09731	0.7
88.47662	0.7
95.08605	2.1
96.10535	0.5
97.06516	0.7
99.04431	1.3
109.02874	3.6
112.21323	0.6
127.03915	2.4
134.06013	4.0
160.07542	3.9
184.07584	0.9
184.11183	0.9
194.09654	0.7
196.07622	3.6
196.11305	0.7
197.08267	0.8
198.09129	3.3
199.05002	1.3
199.08600	1.4
211.08450	1.3
211.10191	1.0
211.12099	1.1
212.10799	6.6
213.10037	4.8
224.09448	1.3
225.10193	5.9
227.08160	9.7
227.11739	4.9
228.08907	3.2
228.12553	3.1
235.88033	0.7
239.09630	1.2
239.11670	6.2
240.12607	4.4
241.09703	42.6
242.10493	2.9
243.11258	3.7
243.14958	2.3
255.11258	7.5
256.12051	28.3
271.14395	100.0
271.24136	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	271.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45152	0.5
63.97940	0.5
67.26888	0.6
69.03416	0.9
73.02923	0.8
82.72416	0.8
95.08576	0.7
99.04466	2.4
99.06575	0.8
109.02871	3.3
120.92347	0.6
127.03906	2.8
134.05997	4.3
149.08333	1.3
160.07588	3.8
184.07573	1.0
196.07545	3.1
198.09145	1.5
199.05006	1.5
199.08562	0.8
211.08446	1.1
211.10123	1.4
211.12173	0.8
212.10794	7.1
213.06519	1.2
213.10043	6.8
214.12418	0.7
224.09395	1.6
225.10207	7.4
227.08044	8.4
227.11777	3.8
228.08971	2.8
228.12358	4.8
229.09761	0.7
239.09642	1.1
239.11633	5.7
240.12471	6.7
241.09711	39.1
242.10449	2.8
243.11299	2.9
255.11345	6.7
256.12039	25.9
271.14389	100.0
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	Unknow
Peak:m/z	Relative Intensity
51.07535	0.5
55.07170	0.4
57.07083	0.7
57.16591	0.4
66.23495	0.4
67.05514	0.9
69.03428	0.8
69.07064	0.8
73.02910	0.8
79.05495	0.5
81.03427	0.8
81.07034	1.0
83.08613	0.8
85.02913	0.5
87.37841	0.4
90.53925	0.4
91.05465	0.5
92.21248	0.6
95.08631	0.8
96.08105	1.1
97.02892	0.6
99.04441	2.8
99.13811	0.4
106.06564	0.6
108.08146	3.8
109.02882	4.4
109.10143	0.7
123.11741	0.6
124.07573	0.5
127.03933	4.4
145.10165	0.6
157.10208	0.8
158.05940	0.8
159.09145	1.9
159.10405	0.6
159.11633	0.5
168.08093	2.7
169.08842	0.9
170.09637	0.7
172.07545	0.8
174.09161	0.7
182.09596	0.8
183.10382	6.7
186.11470	0.5
197.08330	3.6
198.09193	0.7
198.12773	11.1
199.08612	3.5
211.09937	7.0
213.10226	5.4
214.10912	3.6
215.15532	4.5
223.52686	0.5
226.12273	18.0
227.08220	0.6
227.11768	10.3
228.12553	29.4
241.09641	1.8
241.13359	0.6
242.10565	0.8
243.14919	18.9
253.13338	2.4
253.19518	0.5
254.11699	1.2
255.11275	19.2
256.12051	62.3
269.12766	2.3
271.14398	100.0
271.20538	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	271.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.6
57.07071	2.4
59.31784	1.0
59.44116	1.0
67.05497	7.0
69.03444	1.5
69.07066	9.1
71.08617	1.3
77.87215	1.1
78.45482	1.3
79.05473	2.3
81.07066	15.4
83.08614	6.0
85.06515	1.9
91.05463	5.1
91.62640	1.2
92.21366	3.0
93.07052	10.0
94.94942	1.4
95.08613	26.2
97.02889	1.6
97.06581	1.1
97.10172	5.5
99.04447	1.5
101.77419	1.2
105.07029	8.0
105.18024	1.6
107.08608	17.7
107.77666	1.3
109.02869	1.9
109.10139	11.8
111.08110	1.4
111.11724	2.0
119.08567	18.0
121.10172	11.2
123.08086	1.4
123.11685	7.5
127.03930	2.6
129.06967	3.3
131.08575	13.0
133.10138	11.8
135.08073	2.5
135.11662	12.5
143.08562	7.5
145.10136	12.2
147.04411	2.5
147.08041	1.8
147.11690	7.1
149.09671	1.3
149.13246	5.7
151.03886	5.6
155.08609	4.2
157.10118	12.1
159.08003	1.7
159.11693	13.0
161.09615	2.9
161.13330	4.3
169.10159	5.2
171.11685	12.0
173.13217	8.5
175.11183	5.8
175.14769	1.5
183.11746	9.7
185.13246	7.5
187.11206	1.3
187.14835	5.1
189.12701	1.7
195.30267	1.3
197.13271	8.0
199.14803	2.5
201.12767	5.7
201.16393	2.0
211.14780	8.0
213.16341	2.2
215.14322	2.1
217.19533	2.3
225.16344	1.5
227.17934	50.6
229.15643	1.7
229.19510	9.5
235.20627	2.7
243.21101	3.1
253.19427	21.7
271.09692	3.2
271.20551	100.0
271.23892	7.7
273.79724	1.3
286.33136	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	272.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
61.04047	2.1
61.76901	1.3
70.06589	12.5
72.08135	3.2
74.06071	1.7
78.36711	1.4
81.04536	2.2
82.24095	1.2
83.01099	3.5
83.06103	3.4
84.01868	3.0
84.04502	1.8
84.08169	2.2
86.09708	49.3
95.01083	8.9
96.01862	4.9
98.06044	3.2
109.03988	9.2
110.06046	2.1
112.01334	2.3
113.02144	9.9
116.07077	20.0
124.03952	6.9
124.05062	15.2
126.06646	26.2
127.05045	12.3
127.05798	1.6
128.07104	1.7
129.10243	10.7
130.04999	9.9
136.05063	8.7
139.05028	1.7
141.01540	1.6
142.05002	6.5
143.11797	2.5
152.04524	12.8
167.03134	2.0
170.05565	3.5
175.11844	2.2
178.06104	10.5
180.04034	36.7
185.04152	19.1
185.05611	2.3
187.07181	3.0
196.07123	6.9
201.03693	14.6
215.13870	8.4
222.05078	40.7
231.17070	2.0
240.06036	8.3
272.11005	100.0
272.16064	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	272.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.3
53.10167	0.3
56.05044	0.3
57.03423	0.3
57.52234	0.2
57.88507	0.2
61.02922	1.2
65.03933	0.6
69.03436	3.5
70.06592	3.8
71.05010	0.4
72.08162	0.4
73.02915	1.4
81.03424	1.3
84.08145	0.4
85.02908	11.1
86.09689	0.6
87.04455	1.2
91.03970	0.4
92.05003	10.9
94.06571	1.1
95.06084	0.3
97.02897	3.4
98.97594	0.4
107.99628	0.3
109.02866	1.2
109.44926	0.3
110.06042	100.0
110.07104	3.4
112.07611	1.8
112.08677	0.3
124.03935	0.5
127.03960	2.5
140.07065	0.6
145.04958	1.4
148.95508	0.3
152.07094	0.6
156.07675	0.6
163.12346	0.4
173.09167	0.3
175.11917	0.4
189.06091	0.3
208.14447	0.5
226.15552	1.3
231.08432	1.5
249.08423	0.3
254.00450	0.4
254.15085	0.6
259.95276	0.3
272.07657	0.5
272.11377	10.7
272.15707	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	272.124
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06087	0.8
70.06588	1.7
72.08159	0.9
72.55152	0.4
76.70206	0.4
78.41478	0.4
81.36364	0.5
84.08154	0.6
84.23479	0.4
86.09700	1.7
87.05597	16.6
87.06139	0.5
87.10060	0.5
94.02934	4.0
98.06071	0.7
101.97918	0.4
110.02394	0.4
126.05525	20.0
129.10242	0.6
152.08171	0.4
153.08986	1.9
154.04994	75.7
158.07936	0.8
167.08159	1.6
170.04491	0.9
175.11969	0.6
180.02927	0.6
180.07704	2.8
181.08443	0.5
185.07930	0.7
186.07616	53.3
190.08205	0.4
194.09325	1.0
195.07530	0.5
208.07193	1.4
212.10371	3.2
212.51758	0.4
223.07158	0.9
223.09198	0.4
240.09685	1.8
272.12411	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80960	0.3
56.05040	0.4
60.18653	0.3
70.06609	0.4
72.08156	0.4
82.31007	0.3
84.04517	0.3
86.06055	1.4
86.09692	0.7
98.97586	2.1
102.05538	2.0
107.75467	0.3
108.05585	3.8
110.06075	0.4
111.46387	0.3
113.95495	0.3
115.45673	0.3
126.05582	0.4
126.06639	0.5
128.07079	0.4
130.04994	7.0
138.05510	6.6
143.00230	0.4
146.08168	1.6
152.07083	0.5
152.08195	4.8
154.04985	1.0
154.06131	3.8
166.04953	0.5
168.07684	13.5
170.08112	2.1
180.07750	0.5
194.09326	0.6
198.07631	1.5
212.10304	47.8
213.11084	0.5
219.22076	0.3
230.10205	7.0
272.12408	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05342	0.5
55.05510	1.5
56.05035	1.4
57.39674	0.6
70.06589	6.3
71.59874	0.5
72.04471	0.7
72.08167	16.4
74.06082	0.7
76.05108	1.1
84.04506	0.7
84.08145	3.7
85.54114	0.6
86.09718	5.9
107.04961	100.0
108.08129	0.7
114.09155	8.6
115.05534	1.1
116.07109	1.7
116.08273	0.7
121.06439	0.9
123.04442	9.7
129.10249	1.4
131.04895	0.8
131.97456	0.8
133.06519	1.4
134.81961	0.7
137.05995	1.0
143.04904	9.7
145.06471	8.1
149.05988	1.1
150.96791	0.8
158.26944	0.8
161.05981	25.1
164.07062	0.7
168.38757	0.6
175.11978	0.9
209.09668	2.9
219.08163	0.7
231.17024	3.4
237.09077	5.7
240.13252	0.9
255.10143	29.4
272.09451	3.2
272.12823	47.4
272.15805	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	272.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84456	0.5
55.05515	0.5
56.04776	0.7
56.05043	18.7
56.96564	1.2
57.03437	0.5
71.04994	25.7
72.04503	0.6
72.08159	1.0
74.06083	2.5
78.93868	0.6
79.05480	0.6
81.07059	3.1
82.02955	6.1
82.06569	1.0
82.49940	0.6
83.08598	0.6
86.09715	0.8
88.07622	1.3
93.07031	0.7
95.08610	0.8
97.72919	0.5
99.05575	6.2
102.04927	0.7
102.05543	3.6
110.07138	0.6
113.09639	15.9
125.07110	37.7
126.09080	0.7
130.06447	0.6
131.00162	3.0
149.01250	5.0
149.52469	0.6
160.07176	2.3
167.02278	1.1
169.09839	0.6
194.12885	0.9
212.14095	1.1
226.15425	0.7
231.05302	4.3
240.13409	91.8
249.06670	1.4
249.09138	2.4
254.17482	0.6
272.06357	3.3
272.16031	100.0
286.49353	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	272.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82376	0.4
51.55700	0.4
56.05047	18.8
57.08942	0.4
70.06577	0.5
71.04995	21.5
72.04512	0.9
72.08167	2.1
74.06068	1.1
74.12622	0.4
81.07039	1.2
82.02946	7.8
82.06580	0.7
84.08128	0.6
88.07642	2.9
88.70881	0.5
98.32674	0.5
99.05572	6.0
102.05503	3.9
113.09645	13.6
118.58946	0.5
125.07118	40.3
126.09112	0.9
132.07257	0.5
160.07158	2.3
173.09544	0.6
191.34616	0.6
194.12921	1.3
212.13713	0.7
217.77721	0.5
218.53264	0.4
222.60880	0.5
226.15483	0.6
227.82443	0.6
240.13417	100.0
272.16040	93.4
273.13342	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.2218
Annotation	Tridecanoylglycine
Peak:m/z	Relative Intensity
53.30231	1.6
55.05517	1.8
57.07094	3.7
66.43125	1.4
67.05504	8.3
69.07073	15.5
70.20433	1.5
70.83949	1.5
71.08609	6.4
71.71329	1.9
81.07059	11.8
83.08629	8.1
85.10170	2.9
93.07044	10.2
95.08604	19.9
97.06532	3.5
97.10179	6.7
99.08125	2.1
100.07647	2.0
107.08599	3.1
109.10129	17.1
111.08102	1.7
111.11741	2.8
121.10129	13.5
122.31284	1.7
123.11703	1.9
124.11229	3.1
135.11691	10.5
138.12794	4.0
149.13293	2.6
152.14381	8.5
166.15947	2.2
167.32358	1.7
191.17982	9.1
208.20625	17.5
218.58141	1.8
226.21758	3.2
236.20047	2.5
237.18428	2.3
254.21141	100.0
272.25830	2.1
273.20590	2.2
275.48053	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	272.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28949	0.4
57.06824	0.7
57.07081	12.2
58.06607	29.0
69.07069	0.6
70.06601	0.4
71.08346	0.4
71.08637	6.8
72.50196	0.4
84.06633	0.4
85.10202	2.8
88.07642	0.4
102.05553	0.9
104.07108	33.7
130.93675	0.4
200.15091	0.4
235.92770	0.5
272.25827	100.0
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	C16 Sphingosine
Peak:m/z	Relative Intensity
50.21996	0.9
51.34511	1.0
55.05523	16.1
57.03448	1.3
57.04363	0.9
57.07081	17.8
59.19865	1.1
67.05515	8.0
69.07072	35.0
71.04984	1.2
71.08637	12.2
72.04521	1.2
72.08162	2.6
77.99490	0.8
78.49004	1.2
79.05499	4.6
81.07065	18.6
83.02631	1.1
83.04977	1.5
83.08629	41.6
85.10176	7.2
86.06069	6.8
86.93720	1.1
93.07037	8.1
95.08611	16.1
97.06526	6.7
97.10168	28.9
100.07619	12.8
107.08633	8.2
109.10177	12.3
111.08054	9.5
111.11742	8.0
113.09665	1.1
114.09162	10.2
121.10144	12.9
123.11710	6.3
125.09627	5.3
128.10715	4.9
135.11667	13.3
137.13275	2.4
139.11185	5.3
142.12212	2.1
149.13251	10.2
153.12764	2.0
163.14822	6.2
167.14136	1.1
219.21043	17.4
237.22121	20.9
254.24768	100.0
257.27460	1.2
272.25943	7.5
287.30637	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	272.2583
Annotation	C16 Sphingosine
Peak:m/z	Relative Intensity
55.05520	33.2
57.03442	4.8
57.07085	51.6
66.63762	2.5
67.05514	25.6
69.07076	93.9
71.05006	3.2
71.08635	39.3
72.08173	5.7
79.05496	4.9
81.07067	53.0
83.04969	2.9
83.08624	92.2
85.06544	5.3
85.10186	18.0
86.06056	6.2
93.07031	22.0
95.08608	48.2
97.06538	30.3
97.10173	70.5
99.88942	2.5
100.07623	14.1
107.08575	28.8
109.10155	27.0
110.07239	2.9
111.08081	24.8
111.11727	18.3
114.09173	10.9
121.10143	37.2
123.11700	13.1
125.09632	19.7
128.10719	4.4
129.09109	3.5
135.11691	41.0
137.13260	5.1
138.56657	3.2
139.11163	14.7
140.44705	2.8
149.13258	35.4
153.12770	6.4
160.20288	2.4
163.14848	15.9
167.14311	11.6
167.86487	2.9
169.30823	2.9
177.16428	11.4
181.15935	4.4
195.17464	11.1
212.20181	3.4
213.18494	13.5
219.21025	46.6
237.22119	54.0
254.24768	100.0
254.38466	3.2
255.23291	3.5
272.26077	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	273.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.5
57.07056	0.9
57.61215	0.9
67.05515	2.0
69.07073	5.8
69.11754	0.9
72.68990	0.9
73.75614	0.9
79.05500	1.4
81.07047	7.5
83.08634	2.5
84.67953	0.9
93.07039	4.5
95.08612	8.5
97.02892	25.0
105.07039	4.7
107.08593	6.3
108.43375	1.0
109.10189	10.0
119.08588	2.3
121.10140	5.9
123.11698	4.8
125.67910	1.1
129.06989	2.2
131.08607	1.4
133.06445	1.5
133.10124	4.2
135.11697	3.9
141.06993	1.3
145.10143	1.7
147.11664	4.0
149.13264	4.4
151.03909	1.4
157.06505	4.8
161.05986	1.9
161.13240	1.8
163.14816	2.0
167.04893	2.4
169.06456	2.0
173.05939	1.2
174.03157	1.3
174.06743	1.1
175.07556	1.9
175.14804	1.8
177.05414	1.5
177.16336	0.9
183.04405	1.1
185.05969	2.1
187.07567	1.3
189.05467	100.0
195.04483	4.0
197.06026	1.7
199.05832	1.4
199.07480	9.0
200.04668	1.6
203.07021	1.2
203.17914	2.1
207.06522	8.2
212.04823	1.5
214.06352	1.2
215.07025	15.5
217.08539	1.4
226.15097	1.2
227.06972	12.3
245.08130	8.5
255.06549	8.5
255.23138	1.8
258.04971	1.3
273.07578	57.6
273.18518	4.0
273.25803	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	273.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80785	3.3
53.37701	2.6
53.57586	2.7
54.27584	2.8
56.05037	3.9
57.03440	8.4
61.02920	20.1
68.02892	4.0
69.03427	37.1
70.06583	24.8
71.04992	4.7
73.02914	43.8
74.06081	4.7
76.05135	19.8
77.05426	3.5
81.03410	8.8
85.02908	100.0
85.87677	3.4
86.09679	3.9
87.04480	5.8
96.05588	4.0
97.02884	42.6
97.06519	36.0
98.03555	4.1
98.97560	4.4
101.00871	4.4
101.37920	3.7
109.02881	20.2
116.07042	6.8
118.05035	8.1
118.18767	4.1
119.01886	8.3
123.02882	14.4
127.03936	47.6
131.01936	5.3
132.03413	6.4
135.02969	4.4
138.03455	19.0
143.01910	90.4
144.03488	5.2
145.03432	4.1
145.04968	22.5
147.03947	22.6
150.03546	4.0
153.03940	17.8
155.01910	37.4
158.05634	20.8
160.07213	9.2
161.02931	55.6
164.06680	3.7
167.01830	5.6
172.10791	7.0
173.02942	56.7
174.04485	5.5
177.09787	8.2
183.04996	33.3
185.02924	35.2
188.04077	5.9
191.04056	5.7
192.05583	24.7
197.02802	5.4
203.04013	71.1
215.04123	4.8
221.05057	7.2
227.04099	5.3
233.05016	8.6
245.05128	23.1
250.00758	3.7
263.06046	40.8
273.04831	15.6
273.11850	6.9
273.15555	49.8
275.05988	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	273.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25758	0.8
55.35891	0.8
79.26878	1.1
81.51981	0.8
86.03227	0.9
87.00803	1.6
95.05001	1.1
96.22760	0.9
108.45202	0.9
115.05477	1.7
130.06519	16.0
132.08078	15.0
142.06525	2.2
144.08076	1.1
147.04407	5.1
149.29707	0.9
153.01811	10.3
156.08139	4.3
157.07599	1.7
158.06084	1.0
158.08423	1.7
159.09177	100.0
160.07530	5.3
169.07593	19.0
170.06026	39.8
181.07614	4.5
182.06036	1.5
183.09189	5.6
184.07593	23.9
185.07100	49.0
187.08667	27.0
188.07072	5.5
199.08713	4.8
200.07062	20.5
201.10252	16.8
209.07175	1.7
211.08748	1.8
227.08141	56.9
231.07693	8.6
245.09204	78.1
255.07654	8.8
273.08826	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	273.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68716	0.6
51.28001	0.6
56.05040	1.4
60.28704	0.7
60.34496	0.7
65.30225	0.6
69.03450	0.8
70.06603	5.7
72.08183	2.2
76.05126	3.6
82.09566	0.8
84.04514	1.3
84.08134	5.6
85.02914	3.2
86.09695	1.8
92.21114	0.8
94.06583	0.9
97.02907	1.2
97.06540	10.1
103.54395	0.7
104.43866	0.8
108.20808	0.8
110.06036	5.6
110.07202	0.8
111.05644	1.3
111.06374	7.4
112.03567	0.7
112.11209	1.2
116.07079	1.5
116.08214	1.3
118.05046	1.2
119.01962	1.0
128.07066	4.4
129.02925	3.0
129.10187	1.1
129.13867	1.3
144.06535	0.8
160.07158	1.2
169.06808	1.2
170.05627	1.0
171.03865	1.0
177.09865	3.5
198.50227	0.8
206.05237	1.0
230.05188	1.3
255.00209	1.8
255.07346	3.7
256.02945	3.5
264.66263	1.0
273.09418	100.0
273.15469	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	273.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	1.3
58.04093	1.2
60.05647	1.0
67.05484	1.0
69.06744	0.7
72.04520	7.4
74.02437	3.3
74.06079	5.9
76.05133	29.6
79.05483	1.9
84.08161	0.9
88.69910	0.7
90.97193	0.7
92.64611	0.8
95.11488	0.9
96.05611	7.1
97.06530	78.9
102.05528	5.7
116.08219	11.8
118.05016	11.8
120.06593	1.4
135.07675	1.6
140.04510	0.8
156.10214	1.0
159.08754	1.3
160.07173	18.9
172.07156	3.2
172.10825	23.8
177.09834	17.4
228.13445	1.3
250.63550	0.8
273.12552	3.4
273.15567	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46863	0.4
55.05507	0.9
56.05044	0.5
67.05492	2.0
69.07062	2.5
71.06113	2.6
72.08138	0.6
73.16496	0.5
79.05470	0.8
80.05021	1.0
81.03405	2.2
81.04522	1.3
81.07047	1.9
83.04992	0.6
83.08620	2.1
84.08149	9.4
86.09711	2.2
91.05467	2.9
93.07046	2.1
95.04964	1.1
95.06065	0.7
95.08587	0.8
97.02911	0.7
99.05564	2.7
103.14334	0.5
105.07034	1.3
107.08597	1.2
119.04943	1.1
119.08614	2.1
121.10104	0.9
123.04426	2.7
129.10258	2.8
131.08557	2.1
133.10132	0.8
135.06818	1.1
136.07599	2.6
138.12822	0.5
147.04427	1.2
147.11674	1.1
149.09584	2.4
150.12753	2.9
151.41414	0.6
153.01851	1.0
157.10098	0.9
159.11334	1.1
160.04193	0.7
162.08949	1.3
164.14290	1.9
165.05446	2.1
166.12262	1.2
168.13791	0.7
175.11171	2.3
179.03374	0.7
182.08122	0.8
182.15414	5.1
184.13361	3.5
189.05476	2.6
191.15366	2.6
192.13846	3.3
193.12050	5.1
194.09245	0.9
194.11751	3.4
200.16455	1.2
210.14832	7.2
211.13245	3.7
219.14905	12.7
220.13359	0.6
228.15918	1.0
229.62384	0.8
237.16026	6.4
255.16995	13.0
259.15683	0.7
273.04398	0.7
273.18076	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	273.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16795	1.0
54.47055	0.9
55.05522	2.5
55.63410	1.1
57.07067	1.5
67.05499	7.3
69.03431	2.0
69.07054	6.2
73.22149	1.1
79.05474	4.5
81.07079	9.7
83.08604	2.1
85.06539	2.7
90.24728	1.2
91.05473	6.0
93.07055	9.6
95.08607	9.4
97.02877	2.5
105.07039	17.3
107.07961	1.6
107.08599	14.1
109.06519	15.3
109.10152	6.9
111.08097	2.3
117.07004	2.7
119.08568	15.4
121.02852	1.3
121.10136	13.6
123.08095	2.3
123.11680	2.0
129.06955	2.6
130.90417	1.1
131.08623	9.1
133.06474	7.9
133.10135	10.1
135.08034	8.8
135.11665	2.8
141.06961	1.8
143.08580	12.8
144.09277	1.9
145.10109	15.7
147.08069	2.4
147.11696	9.6
149.09601	5.7
155.08556	8.3
156.09308	5.9
157.06477	1.8
157.10124	22.8
159.08055	1.5
159.11688	9.8
161.09584	2.7
161.13220	2.9
163.11131	1.5
165.07022	1.4
167.10666	2.1
169.06528	1.2
169.10054	14.4
170.10873	2.1
171.11694	25.0
172.12454	2.0
173.09625	13.0
173.13234	7.0
175.11200	6.5
177.05373	1.5
180.09427	1.9
181.10063	4.9
182.10938	6.6
183.11665	7.1
184.12454	1.5
185.13196	10.6
187.14845	1.8
189.05467	24.3
189.12695	13.2
193.10252	1.5
194.10985	1.3
195.04309	1.5
195.11667	6.0
196.12543	2.6
197.13263	38.5
197.31003	1.5
198.14108	4.7
199.07614	2.5
199.11154	18.8
207.06450	1.7
209.13281	1.3
211.14745	13.6
212.15576	10.0
213.12790	5.0
213.16368	26.1
214.13541	2.2
215.07034	3.1
215.14293	7.7
217.12254	2.1
222.14041	2.3
225.12685	2.4
227.06902	4.5
227.14253	7.8
229.15889	9.4
231.17496	2.7
237.16418	7.0
240.15118	2.8
245.08199	2.0
245.19023	1.4
255.06389	2.0
255.17419	43.0
273.07581	15.3
273.18475	100.0
273.25613	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	273.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17536	0.6
55.01876	0.7
55.05511	4.8
57.07084	0.9
57.69303	0.6
60.59682	0.6
62.06077	1.6
62.89395	0.8
67.05513	10.4
69.07053	4.1
69.79693	0.8
71.08627	0.7
79.05492	6.7
81.07065	9.0
81.50732	0.6
83.08607	1.2
84.80583	0.7
86.13834	0.7
91.05479	11.5
93.07041	7.4
95.00765	0.7
95.04945	1.4
95.08617	8.8
97.06552	0.9
97.10164	1.4
105.07035	12.5
107.04984	0.9
107.08593	6.8
109.10149	4.0
117.06997	6.6
117.39634	0.8
119.04898	0.7
119.08582	14.4
121.06512	1.2
121.10125	4.7
123.08088	0.8
129.06985	1.8
131.08562	21.0
133.06511	1.2
133.10138	8.1
135.08011	1.7
135.11668	1.6
137.09657	1.0
143.08583	5.3
145.10136	15.5
147.08049	9.5
147.11697	5.8
149.09610	1.6
155.08533	1.0
157.10124	7.1
159.08017	1.6
159.11673	1.8
161.09578	6.3
161.13251	3.8
167.07295	1.8
171.11644	3.1
173.09593	3.1
175.11198	4.9
175.14803	1.5
180.08067	3.5
185.09660	1.9
187.11107	1.0
189.16382	1.2
191.17955	1.0
199.11018	0.9
203.10718	1.4
227.17889	1.7
229.15886	1.0
237.16423	1.4
245.19116	1.6
246.90353	0.8
255.17332	8.3
273.13712	3.8
273.18478	100.0
273.25696	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	273.2575
Annotation	Elisabethatriene
Peak:m/z	Relative Intensity
51.47321	2.1
55.05529	3.3
57.07078	4.3
64.60530	3.1
67.05505	20.3
69.07087	3.9
69.52216	2.3
70.60508	2.9
71.08646	5.4
79.05489	14.8
81.07066	21.7
83.08628	4.7
85.10191	3.7
91.05490	21.9
93.07030	23.2
95.08620	26.1
97.10171	3.9
102.81718	3.0
105.07050	20.4
107.08591	15.2
107.51763	2.6
109.10129	15.9
119.08552	24.7
121.10143	25.3
131.08595	4.4
133.10129	26.7
135.11668	18.7
147.11714	23.2
151.11238	4.3
161.13242	28.4
175.14841	13.6
180.08086	3.5
191.17976	5.3
205.19753	3.0
255.17450	21.1
273.18481	33.8
273.25757	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	273.2573
Annotation	Elisabethatriene
Peak:m/z	Relative Intensity
55.05515	6.8
57.07071	8.4
59.77592	1.3
63.02695	1.1
67.05507	11.3
69.07072	6.1
71.08621	3.0
79.05492	8.2
79.84876	1.4
80.41806	1.2
81.07066	21.4
83.08612	6.9
85.10184	1.5
91.05491	16.4
93.07029	16.3
95.08617	24.0
95.49707	1.3
96.76487	1.4
97.10168	3.1
100.31096	1.2
105.07023	14.7
107.08575	13.7
109.10159	11.9
119.08584	20.3
121.10140	20.6
123.11720	1.9
133.10124	27.5
135.11664	13.2
147.11676	21.7
149.13231	3.0
149.32042	1.4
161.13231	22.2
163.14761	2.0
167.07219	1.5
175.14798	16.3
177.16370	6.5
180.08076	2.8
189.16362	7.7
191.17938	9.3
203.17973	2.4
217.19543	1.5
264.99750	1.2
273.13983	2.6
273.25754	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.176
Annotation	(2R,3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine
Peak:m/z	Relative Intensity
55.05522	1.9
56.05042	10.7
60.77497	1.3
65.22627	1.1
67.05517	1.8
69.07076	2.4
70.06582	7.9
70.33536	1.5
72.08161	13.6
74.06071	13.5
78.66744	1.2
81.03405	1.3
83.08601	2.1
84.08150	10.9
86.09706	81.7
93.07040	7.2
93.59984	1.5
99.44382	1.4
102.05556	1.7
110.09686	15.6
115.08688	100.0
116.07094	2.4
120.06593	5.8
120.08046	1.6
129.10272	12.2
132.09175	2.3
132.10196	67.8
138.09096	7.5
141.58492	1.5
143.08150	65.1
144.06586	11.1
144.10214	2.6
155.17998	1.4
156.10207	8.7
156.74074	1.4
157.13348	9.5
161.09189	9.6
173.12868	3.3
173.24178	1.5
175.11896	2.7
203.13864	25.2
211.14253	1.5
219.30357	1.5
220.61345	1.3
243.26805	1.3
274.14767	1.4
274.17740	17.4
274.21219	3.2
274.27368	2.2
288.74762	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	274.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	38.4
67.05549	0.7
69.07072	10.2
71.04996	2.7
71.54202	0.5
72.58199	0.6
73.06582	2.2
74.02440	0.7
79.05450	0.7
83.08636	0.9
84.97832	0.6
86.06075	1.0
86.09705	100.0
97.10170	84.7
125.09639	9.2
127.51604	0.7
132.10202	61.2
143.10678	13.7
153.09097	2.2
210.18532	1.1
256.19043	28.2
274.11633	1.2
274.20135	10.1
299.06989	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.2737
Annotation	Hexadecasphinganine
Peak:m/z	Relative Intensity
52.68707	0.4
57.07096	4.6
57.07324	0.7
70.06596	5.6
71.08631	1.8
81.38882	0.4
85.10200	0.7
86.06187	0.5
88.07632	13.0
101.16234	0.4
102.09171	3.7
106.08672	10.2
106.19463	0.4
126.35724	0.5
230.24811	0.7
247.78448	0.5
256.26370	9.8
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	275.0163
Annotation	6-Phospho-2-dehydro-D-gluconate
Peak:m/z	Relative Intensity
61.32710	15.0
67.81140	18.6
75.14070	16.1
101.73814	15.7
102.85679	17.2
103.52197	18.0
113.07066	17.5
130.98083	17.6
234.35606	17.5
275.01709	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0162
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23057	3.6
62.99889	2.7
70.48859	3.0
83.06100	4.6
84.04494	6.2
84.08150	18.6
95.06101	17.5
113.07127	100.0
119.01909	5.7
125.57600	3.3
126.66142	3.0
135.49310	3.1
138.05481	8.5
138.39523	3.7
153.27100	3.6
221.54213	3.5
242.21770	3.9
275.01553	14.5
275.05099	8.8
275.12451	4.6
275.19138	6.6
281.79608	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	275.0163
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66523	22.2
56.30492	24.1
66.03964	18.2
69.20107	19.2
73.52721	19.6
86.09697	42.3
109.87055	23.8
113.06036	26.3
116.07116	25.3
166.71373	22.3
169.83804	25.5
275.10501	100.0
297.77051	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	275.0484
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04781	0.4
56.05044	8.1
69.07086	0.3
70.06586	1.4
72.04510	1.3
72.08155	0.4
74.06083	2.3
76.05120	0.3
84.04509	2.5
86.09708	13.4
88.07634	3.9
98.06055	0.4
102.05550	3.5
106.08654	2.3
114.09153	1.1
116.08196	1.0
116.10724	0.5
117.06596	0.3
118.05003	0.9
120.06551	1.3
135.07652	1.2
144.06560	10.6
154.12267	4.0
156.11336	0.3
162.07608	8.4
170.11751	0.4
172.09711	2.2
173.24023	0.2
174.11241	1.1
177.08707	4.6
183.16687	0.3
189.12311	2.1
193.07672	0.4
194.08401	5.9
195.09216	2.0
200.10721	0.3
211.08682	1.3
215.13849	0.6
226.07442	2.0
231.13364	0.4
257.12814	1.0
257.15903	0.4
257.18552	1.1
275.04831	100.0
275.19742	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	275.0527
Annotation	Sulfabenzamide
Peak:m/z	Relative Intensity
55.75352	6.1
56.44444	5.6
62.30199	5.3
70.63142	5.9
74.05971	6.3
80.80006	6.5
87.63775	6.4
89.77678	5.9
91.67310	6.8
112.64063	6.5
150.69817	8.0
180.68359	7.2
232.04488	8.3
275.05237	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0526
Annotation	1-Deoxy-D-altro-heptulose 7-phosphate
Peak:m/z	Relative Intensity
51.70761	5.6
54.55836	5.7
57.76012	5.9
69.81863	6.5
83.18736	6.3
84.08152	17.1
88.48651	8.0
98.22620	8.0
108.04597	7.7
113.07130	46.5
113.07814	7.9
118.23242	7.7
125.07127	50.5
187.09866	7.8
215.09497	9.3
233.10486	30.4
275.05130	38.7
275.07651	24.5
275.10687	100.0
275.12906	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	275.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11605	0.7
56.05038	3.0
58.04098	0.7
58.81368	0.7
68.17303	0.7
69.04549	5.3
69.38393	0.8
70.06583	1.1
72.04510	1.8
72.08161	1.0
74.02431	3.5
74.06078	3.1
76.05133	9.7
86.09647	0.8
87.71326	0.8
88.07620	3.8
89.47169	0.8
96.05622	6.3
97.17659	0.8
98.09699	1.1
99.08091	4.0
102.05527	4.6
113.07170	0.8
114.06645	5.2
115.07439	3.3
116.08209	2.0
118.05022	3.9
126.09003	0.8
128.08200	1.9
132.48410	0.7
133.68192	0.8
135.07672	0.8
138.10271	2.8
140.11818	1.3
142.09763	1.0
142.53786	1.0
156.11319	24.4
160.07175	4.3
161.20012	1.0
172.09679	1.5
173.06711	0.9
174.12375	26.5
177.09814	4.2
189.12341	3.2
230.14978	1.2
240.13660	1.0
243.14587	1.2
257.16055	28.0
275.10995	100.0
275.17126	59.5
289.39075	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	275.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75868	0.8
53.96259	1.1
55.01871	7.8
55.05520	8.9
56.05045	1.0
57.03433	1.2
57.07066	4.7
58.99582	2.1
61.01151	1.7
67.05500	7.3
69.07069	5.0
70.02976	1.2
70.06578	1.5
71.05003	1.9
72.04517	2.1
73.01134	5.4
73.02888	1.1
74.00666	2.6
76.02222	2.0
76.05132	1.0
77.85137	1.0
78.83434	1.0
79.05513	8.4
81.06614	1.7
81.07055	23.3
83.08608	9.4
84.04491	7.3
85.01118	4.3
87.02678	2.1
88.02217	2.2
90.05560	10.7
91.05486	11.1
91.68690	1.0
93.07039	7.2
95.04984	2.3
95.08577	7.8
97.10139	1.3
98.02441	2.2
98.09705	2.2
99.02673	1.6
100.11257	63.6
104.01688	4.4
105.07027	16.8
107.08604	8.9
109.10149	4.6
112.11230	7.1
115.05824	8.5
116.01659	11.9
116.03448	1.9
116.05325	15.8
116.08197	1.5
117.06980	4.0
119.08576	15.5
121.10120	4.2
124.11178	2.0
126.04590	1.6
126.05509	42.8
131.08569	6.9
133.10104	13.3
135.08064	1.8
135.11751	1.4
141.07327	24.0
143.08847	6.8
143.11784	6.0
144.06531	8.7
145.10120	8.7
147.08012	1.3
147.11673	15.2
149.09573	2.7
154.12280	6.1
157.10120	1.3
158.02713	23.4
158.09976	81.8
159.11723	7.6
161.09630	1.2
161.13306	2.3
163.11157	2.2
171.11726	1.4
172.13312	22.1
173.13272	2.5
176.03659	1.3
183.11755	1.2
185.13252	2.0
201.12758	1.7
203.14301	1.6
215.12093	1.9
240.10747	1.4
257.13406	1.8
257.16360	1.5
257.19031	6.2
258.11575	36.2
275.14236	100.0
275.16678	3.6
275.20016	72.0
288.57504	1.2
292.54877	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	275.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32260	0.8
51.77599	0.9
54.02140	0.8
56.05042	8.9
56.34531	0.7
59.09374	0.7
62.62774	0.7
65.10318	0.9
68.04995	0.9
69.07068	1.0
70.06604	7.1
72.04499	3.7
72.08136	0.7
74.02438	3.8
75.12466	0.9
84.04504	21.2
84.08125	1.9
86.09705	100.0
87.24152	0.8
88.07624	25.0
102.05540	11.2
106.08674	17.3
107.08607	1.2
112.99959	0.8
116.07072	3.8
116.10738	1.2
118.04984	0.9
120.08099	1.3
125.09632	1.4
129.06999	1.8
129.10245	1.0
130.06529	5.1
131.08191	0.9
142.12276	1.0
144.06558	43.5
146.05974	5.0
154.12245	24.6
156.08067	20.2
158.09642	5.7
160.07361	1.0
162.07597	61.1
167.21486	0.9
168.08049	9.6
169.07555	3.8
170.11781	2.0
177.08714	1.8
184.05920	1.2
184.07570	37.0
188.07043	4.5
194.08337	1.4
196.07616	4.7
198.05510	1.8
202.08611	49.2
211.08649	1.7
214.14333	4.0
215.08197	12.7
252.05087	1.2
257.09213	4.2
257.15027	1.4
257.18552	9.7
258.07574	4.0
258.10211	0.9
275.04810	37.6
275.10031	5.5
275.14752	39.1
275.19696	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	275.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05045	50.6
56.47272	1.3
57.03416	2.0
60.04548	1.4
60.05659	2.3
68.60063	1.9
69.07064	9.4
70.06588	25.2
72.04525	15.6
72.08149	8.6
72.20993	1.7
74.02451	3.8
74.06080	20.8
76.05132	9.1
81.07051	4.0
83.02649	2.0
84.04501	13.5
84.08146	7.8
86.03577	2.3
86.09707	100.0
87.37976	1.6
88.07631	99.2
88.39332	1.7
96.05608	3.3
98.06054	7.9
102.05547	23.7
102.06638	2.2
106.08684	13.3
107.08611	3.8
112.08804	2.6
113.91455	1.8
114.06643	2.4
114.09154	7.1
116.07080	4.2
116.08205	20.7
116.10763	3.6
118.05017	10.0
120.06573	8.5
120.08103	11.4
125.09587	2.8
135.07706	1.9
142.09743	2.6
142.12285	2.4
144.06561	46.4
154.12273	39.8
156.11349	21.2
160.07146	2.8
162.07617	44.4
170.11693	3.9
172.09657	16.4
174.12440	17.0
177.08644	21.8
189.12386	17.6
204.63425	1.7
214.14377	9.7
215.13913	3.9
231.13579	1.8
233.14752	2.9
240.13339	3.5
251.98413	1.9
257.16116	22.3
266.38571	2.1
275.16415	50.4
275.19714	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	275.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.6
56.05053	0.5
69.07076	0.9
80.84557	0.5
84.04507	43.1
86.06062	1.0
86.09708	100.0
90.00768	0.5
91.79983	0.5
95.04951	0.7
102.05540	3.1
107.04953	5.9
111.10400	0.6
119.01904	1.3
128.07100	0.8
129.06618	1.1
130.05005	5.6
131.01884	3.1
137.05885	0.5
142.04973	0.8
143.01886	0.9
145.03383	0.7
146.11768	47.8
151.78091	0.6
152.10687	1.0
155.01884	8.2
156.06573	1.1
157.03465	1.0
161.02963	1.2
167.01900	2.2
169.08589	1.3
173.02992	5.6
184.13243	3.7
185.02902	2.9
197.12872	8.7
198.11244	4.4
212.12828	3.8
215.04018	1.2
225.12416	1.1
233.05009	4.4
243.66405	0.5
250.39096	0.6
257.12686	0.9
257.14984	8.4
258.13385	6.7
275.06396	0.6
275.13535	2.0
275.16138	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	275.16
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65440	1.2
51.50289	1.3
55.01894	1.6
55.05503	3.3
56.04777	3.4
56.05046	100.0
60.05645	7.9
67.05518	3.2
69.07076	10.8
70.06586	3.0
71.08640	1.8
72.04515	8.2
74.02445	3.7
74.06084	81.3
76.05128	17.5
83.08622	8.3
84.04509	6.6
84.08122	1.5
86.09734	2.0
91.05495	1.8
93.07053	12.7
95.08611	12.9
96.05592	1.9
97.06519	1.8
102.05544	19.1
110.09694	19.7
115.80457	1.6
116.08212	10.9
118.05024	2.8
120.06590	28.1
120.08054	2.1
136.06204	2.1
137.18166	1.9
138.09164	13.1
154.12311	11.9
156.10176	10.2
156.11322	2.7
160.30090	1.5
174.12469	3.5
177.09798	8.2
200.12813	47.2
234.13495	2.7
247.07657	2.3
257.16190	2.5
258.13339	28.6
275.16058	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	275.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63068	0.3
56.05050	1.4
58.04096	0.6
60.05654	12.4
60.13347	0.2
62.72153	0.3
63.86073	0.3
71.08633	5.3
72.04515	3.3
74.02443	0.5
74.06077	1.8
75.10418	0.3
76.05132	31.2
92.40519	0.3
99.08102	6.9
102.05542	2.1
112.05102	4.8
116.07090	0.3
116.08230	0.4
116.10713	0.7
117.06543	0.4
118.05018	5.0
120.06590	1.4
124.11243	3.0
129.07712	1.3
131.09288	1.3
135.07687	0.7
154.12267	32.3
159.08745	2.3
160.07170	8.4
168.10202	1.5
177.09821	12.1
200.12816	100.0
227.15013	1.9
274.19897	0.4
275.17120	35.3
295.38751	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	275.1713
Annotation	Poly(lys-glu)
Peak:m/z	Relative Intensity
50.78414	0.6
56.05036	3.0
60.04514	0.7
67.05503	3.5
69.04557	1.1
69.07076	8.8
70.06583	1.1
72.04517	2.9
72.08149	0.8
74.02434	4.1
74.06080	4.2
75.04439	0.7
75.96081	0.6
76.05138	5.0
80.67212	0.6
83.06116	6.4
84.08153	1.7
88.07643	0.9
96.05614	1.5
99.08096	100.0
102.05569	5.0
110.07189	3.8
114.06662	3.1
116.08244	3.1
118.05016	2.6
119.01841	0.8
120.30322	0.7
124.07562	1.0
124.08696	5.0
128.08197	1.7
138.10107	0.7
142.09753	51.7
144.06573	0.8
154.08607	1.7
156.11337	7.4
160.07161	3.7
160.19739	0.8
162.53329	0.7
172.09676	0.8
174.12370	12.5
177.09845	4.6
189.12404	0.8
193.27826	0.7
198.12370	0.9
212.23834	0.7
230.15018	1.3
243.14502	66.8
257.16028	5.7
275.11017	83.3
275.17111	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	275.1713
Annotation	Poly(lys-glu)
Peak:m/z	Relative Intensity
56.05037	5.3
58.04079	4.6
60.04514	1.5
60.05654	0.9
67.05498	1.2
68.05045	0.9
69.04544	1.9
69.07054	1.1
70.06584	5.2
72.04519	11.5
72.08153	4.2
74.02438	4.0
74.06082	12.8
76.04762	0.8
76.05135	8.2
78.06346	0.7
79.05489	1.4
79.47833	0.7
81.07050	4.4
84.04526	2.8
84.08125	5.0
85.02909	0.8
86.03556	14.9
86.09709	17.0
87.10033	10.3
89.04783	0.8
96.05597	2.8
96.08147	1.4
97.04017	0.8
97.06533	1.1
98.09743	0.9
99.08099	4.4
99.68777	0.8
102.05549	8.1
110.07151	0.8
111.09163	1.1
112.08740	5.9
113.07153	1.2
114.09176	1.0
116.07088	1.3
116.08220	5.1
117.06633	3.7
118.05016	13.3
119.04911	1.1
120.06575	15.1
120.08115	0.9
124.08658	0.8
128.08168	3.5
129.10222	0.9
130.06537	9.3
130.09769	7.8
132.10201	1.0
135.07648	11.1
139.08679	1.7
140.11876	0.8
141.10226	1.2
142.09764	14.8
144.08089	9.1
156.11319	28.0
157.13356	4.5
158.13788	8.0
160.07172	8.6
170.06006	1.8
174.12387	22.8
177.09822	4.6
186.13213	1.4
214.11836	3.1
226.11777	1.0
230.14958	1.6
231.14345	0.8
240.13345	9.4
243.14525	10.9
257.16046	33.2
258.14346	3.3
275.10632	5.5
275.17120	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	275.1712
Annotation	Poly(lys-glu)
Peak:m/z	Relative Intensity
56.05036	7.8
59.65024	1.1
59.92920	0.9
68.90714	1.1
69.04546	8.3
72.04515	5.3
74.02438	6.0
74.06071	7.1
76.05132	23.0
79.50723	1.1
81.07059	1.7
86.03537	2.4
88.07629	9.2
90.37772	1.2
93.23016	1.1
96.05612	11.9
102.05524	13.4
114.06660	11.4
114.09201	1.3
115.07420	6.1
116.08189	7.7
118.05013	8.2
120.06534	5.2
120.96516	1.2
122.54227	1.2
128.08186	2.7
132.80376	1.2
135.07678	2.6
138.10255	5.6
140.11836	1.5
149.33867	1.3
156.11322	53.0
158.12839	1.6
160.07146	8.2
172.09688	8.4
174.12366	53.4
177.09810	7.0
189.12314	6.7
230.15109	2.9
234.95898	1.3
240.13432	5.1
257.16055	64.1
257.18738	2.7
275.17123	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1714
Annotation	Poly(lys-glu)
Peak:m/z	Relative Intensity
55.09188	0.8
56.05048	3.6
57.83631	0.7
59.34384	0.8
61.01675	0.7
66.02998	0.7
67.05499	2.2
69.04552	8.4
69.07068	5.7
70.06615	1.7
72.04513	4.4
72.08157	1.8
74.02456	6.9
74.06075	5.7
76.05119	7.8
83.06108	3.3
84.04517	1.8
84.08128	3.1
88.07615	2.0
96.05609	6.1
96.79918	0.9
97.06531	1.9
97.81187	0.8
99.08092	63.3
102.05540	6.1
109.75856	0.8
110.07147	1.3
113.07137	1.6
114.06695	8.0
114.09203	1.1
115.03906	0.9
115.07420	3.4
116.08199	7.3
118.05018	4.4
119.01881	1.4
120.06577	1.4
124.08755	7.3
128.07271	1.4
128.08167	9.5
142.09760	46.9
156.11311	18.7
160.07149	4.7
174.12389	27.6
177.09790	7.0
189.12352	1.5
199.15527	0.9
210.96944	13.4
226.11928	1.7
228.97908	9.4
230.15016	2.2
233.98460	4.7
243.10857	1.5
243.14520	53.3
257.16104	20.7
275.11029	9.2
275.17102	100.0
276.07056	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	275.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38392	0.3
55.05521	0.6
56.05052	0.4
63.56205	0.4
65.26184	0.3
67.05503	0.5
69.07088	0.4
70.06596	12.4
79.05511	0.6
83.08618	0.7
84.04550	0.4
86.09719	4.4
87.10046	0.7
88.07634	100.0
93.07040	0.6
96.66206	0.4
97.10172	3.6
101.72461	0.3
101.89378	0.3
104.07130	0.4
106.08674	14.6
107.08617	3.6
109.10176	0.4
111.11343	0.3
113.30367	0.4
116.07047	0.4
124.11230	1.7
125.09641	4.2
126.89635	0.4
135.08083	2.7
142.12259	1.5
144.06552	1.5
152.10728	1.5
153.09091	1.6
154.12288	0.9
157.03886	0.4
158.13803	1.2
162.07611	0.8
170.11772	6.0
191.87430	0.4
197.11734	2.0
214.14383	14.5
215.12816	1.5
257.18607	3.4
258.17020	0.7
275.04810	4.0
275.19656	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	275.2003
Annotation	17beta-Hydroxyestr-5(10)-en-3-one
Peak:m/z	Relative Intensity
51.36217	1.5
55.01863	1.5
55.05510	7.6
57.38068	1.5
63.25490	1.4
67.05501	11.1
69.07063	7.6
69.29760	1.5
73.23514	1.7
79.05489	10.6
81.07054	12.2
83.08629	2.8
89.38200	1.5
91.05474	14.7
93.07034	15.3
95.08578	12.9
97.06512	2.2
105.07035	30.1
106.86427	1.6
107.08591	14.2
109.10139	3.7
117.07049	3.2
118.31472	1.6
119.08567	20.2
120.91612	1.4
121.06449	1.7
121.10132	7.4
123.08043	2.2
124.66275	1.9
131.08553	11.0
133.10127	30.0
135.08038	2.7
137.09627	2.1
145.10133	9.4
147.11688	14.7
149.09618	7.5
157.10109	2.0
159.11691	2.9
161.13252	3.2
163.11128	3.4
173.13263	3.2
177.12808	1.9
177.83788	1.8
201.11049	1.9
229.19463	3.1
239.17957	3.1
257.18985	10.9
275.20065	100.0
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	17beta-Hydroxyestr-5(10)-en-3-one
Peak:m/z	Relative Intensity
55.05506	4.8
57.03440	4.4
60.56200	0.8
64.67657	0.8
67.05508	7.8
69.07069	7.4
71.04984	1.6
79.05492	6.1
81.07067	10.1
83.08601	4.3
91.05486	16.4
93.07037	9.1
95.08618	6.7
97.06503	1.1
97.10146	1.0
105.07033	28.7
107.08563	7.4
109.06545	1.7
109.10112	1.4
109.72914	0.8
113.06031	1.0
115.12692	1.0
117.07016	5.0
119.08580	22.2
121.06506	0.9
121.10152	1.6
123.07999	1.2
129.06996	1.6
131.08578	8.3
133.10132	24.0
135.11717	1.0
143.08565	1.8
145.10126	8.7
147.11685	27.9
149.09630	2.2
157.10104	1.6
159.11682	9.7
161.13249	5.2
171.11668	1.4
173.13309	4.5
174.51259	1.0
181.65283	1.0
183.11703	1.8
185.13307	7.2
188.58806	0.8
189.12726	1.2
203.14334	5.5
214.26079	1.0
219.17488	1.2
234.84882	1.0
239.17917	2.1
257.11588	1.2
257.19019	10.1
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	275.2006
Annotation	17beta-Hydroxyestr-5(10)-en-3-one
Peak:m/z	Relative Intensity
54.98412	1.7
55.01880	2.3
55.05519	10.1
57.03419	1.9
67.05514	12.8
69.07072	9.5
71.72750	1.6
79.05518	13.9
81.07063	13.8
82.23011	1.7
83.08631	2.9
83.60067	1.6
84.53291	1.6
91.05485	19.5
93.07067	16.1
95.08606	9.8
97.06558	1.9
97.10189	1.8
98.25188	1.5
105.07053	32.6
107.04918	2.7
107.08598	13.3
109.10149	7.0
111.08033	5.6
117.07012	7.1
119.08585	33.8
121.06506	2.6
121.10201	6.9
123.08076	1.8
131.08594	12.4
133.10155	30.2
133.98026	1.8
135.08067	3.5
135.11745	2.8
143.08612	2.3
145.10127	12.8
147.11702	27.8
149.09651	11.0
159.11674	10.4
161.13281	4.1
173.13275	4.2
185.13313	4.0
196.53583	1.6
239.17979	3.5
240.86653	2.0
257.18970	10.6
275.08249	1.8
275.20074	100.0
275.27734	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	275.2003
Annotation	17beta-Hydroxyestr-5(10)-en-3-one
Peak:m/z	Relative Intensity
55.01876	1.4
55.05516	12.0
57.03429	1.8
61.91343	0.9
63.56000	1.0
67.05515	20.4
69.07063	7.1
71.04993	1.3
76.90964	1.0
79.05501	25.1
81.07069	15.4
83.08611	4.1
84.59771	1.1
91.05485	17.1
93.07044	16.1
95.08612	8.1
97.10180	2.4
105.07038	27.3
107.04951	13.6
107.08595	27.3
109.06502	1.5
109.10147	10.1
111.08118	1.2
117.07024	7.2
118.69007	1.0
119.08582	21.8
121.10129	6.6
123.11686	4.8
125.09618	4.2
131.08566	9.3
133.10135	28.0
135.08096	4.0
135.11703	4.7
137.09663	1.0
143.08516	1.3
145.10120	8.2
147.11684	17.7
149.09625	43.0
153.09163	1.2
155.08595	1.2
155.10701	1.1
157.10107	1.5
159.11699	6.7
160.37990	1.0
161.13232	5.3
163.11099	1.4
168.33749	1.1
171.11659	1.3
173.13274	4.9
175.14749	1.4
180.78677	1.0
183.11670	1.0
187.14859	1.7
215.17957	1.2
219.17670	1.2
229.19455	7.7
239.17993	1.4
239.35353	1.2
257.19037	14.7
257.73157	1.2
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	275.2005
Annotation	17beta-Hydroxyestr-5(10)-en-3-one
Peak:m/z	Relative Intensity
55.01875	1.2
55.05507	6.5
56.93263	0.9
58.26125	0.9
58.85265	0.9
61.18539	0.8
62.18221	1.1
67.05512	11.4
67.30963	0.9
68.40079	1.2
69.03415	1.1
69.07062	4.8
79.05514	10.1
79.20347	1.0
81.07066	9.5
83.04993	1.6
83.08634	1.8
91.05470	18.3
93.07047	15.4
95.08609	6.0
99.88803	1.1
105.07030	34.2
107.04934	4.4
107.08594	13.1
109.06507	2.2
109.10159	6.6
117.07025	4.5
119.08581	22.0
121.06509	1.8
121.10125	5.6
123.11700	1.1
131.08545	9.0
133.10124	25.5
135.11719	1.3
145.10123	6.0
147.11688	20.6
149.09633	9.6
159.11681	5.0
161.13278	4.3
163.59375	1.3
171.11743	1.3
173.13249	2.5
180.40683	1.1
197.13255	1.4
202.74292	1.0
257.18961	5.4
275.20059	100.0
275.27811	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	275.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	14.4
55.89798	1.4
56.89713	1.6
57.07089	16.4
60.68019	1.6
67.05519	18.7
68.38601	1.6
69.03446	2.3
69.07069	32.9
71.05000	1.9
71.08620	7.9
79.05488	16.8
81.07066	57.9
81.94833	1.7
83.08630	20.9
85.10165	2.3
85.74995	1.6
88.05688	1.7
91.05472	21.0
91.21036	1.5
93.07038	35.5
95.04977	2.0
95.08606	69.9
97.06573	1.7
97.10165	9.6
101.21556	1.8
105.07037	34.8
107.04964	2.7
107.08596	40.6
109.06512	1.6
109.10155	49.5
114.13627	1.6
115.71532	2.2
117.07011	3.6
119.08583	27.7
121.06435	2.1
121.10136	31.0
123.11702	29.2
125.82185	1.6
131.08614	3.6
133.10121	22.4
133.19766	2.2
135.11713	27.7
137.13268	7.2
141.07002	2.2
141.24556	1.7
145.10120	10.6
147.11688	19.0
149.09549	5.6
149.13264	48.4
149.14342	3.3
151.14825	3.8
157.10068	1.8
159.11668	9.1
161.13268	9.4
163.11205	4.0
163.14813	21.7
165.16437	2.1
173.13261	3.2
177.12720	2.7
177.16388	4.1
183.11665	2.2
185.13318	6.5
191.17996	2.6
193.19534	12.8
194.90704	1.8
203.14268	2.9
205.19548	12.4
219.21196	7.7
239.17938	2.4
257.18930	11.3
275.20087	100.0
275.27307	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	275.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	10.9
57.07092	14.5
57.07298	1.6
60.58564	1.4
66.58359	1.9
67.05518	20.8
69.07079	35.7
71.08640	12.6
79.05482	9.4
81.07063	71.4
83.08627	25.6
85.10199	3.5
91.05453	3.2
93.07045	41.4
95.08612	88.6
97.10160	22.2
97.72776	1.8
105.07032	4.0
107.08601	59.6
109.10159	79.6
111.11698	3.8
119.08591	7.1
121.10138	58.3
123.11700	41.1
133.10127	4.0
135.11705	40.9
137.13249	12.0
147.11612	3.6
149.13251	73.1
151.14871	1.9
159.11713	2.1
163.14806	42.3
165.16367	6.7
177.16379	15.1
179.17805	2.3
191.17957	8.8
193.19502	19.4
205.19508	17.2
219.21063	12.5
235.01604	2.0
258.05145	2.0
275.20084	25.8
275.27325	100.0
275.30240	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	275.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87903	2.0
53.03931	2.5
55.05517	22.0
56.02581	2.3
57.07078	13.4
59.27523	2.0
60.14575	1.7
67.05507	24.9
69.07076	38.7
71.08639	15.8
79.05497	17.2
81.07063	83.4
81.50114	2.0
83.08630	30.1
91.05479	25.3
93.07051	45.2
95.08611	92.6
97.10187	18.3
100.83646	2.5
104.51987	2.1
105.07038	32.1
107.08599	66.9
109.06555	2.5
109.10161	72.5
111.11675	3.3
111.92952	2.2
113.75882	2.1
117.06951	2.2
119.08564	22.8
121.10154	50.5
123.11712	52.7
124.44046	2.4
131.08572	5.6
133.10118	33.9
135.11691	43.6
137.13271	27.6
138.27182	2.1
145.10117	12.3
147.11705	21.7
149.09637	4.3
149.10776	11.7
149.13249	64.5
151.14821	9.6
157.10056	2.5
159.11688	8.7
161.13226	4.1
163.11154	2.7
163.14799	37.2
165.16380	3.1
173.13239	3.9
177.16385	9.5
179.17958	3.3
191.17934	5.0
193.19440	3.8
205.19527	13.5
219.21091	14.6
239.18051	2.8
257.18954	12.2
275.20050	92.2
275.27316	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	275.277
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34644	0.3
57.06812	0.4
57.07071	3.4
58.07392	1.5
64.90607	0.4
67.40086	0.3
70.06586	3.8
71.06908	1.7
71.08617	0.9
72.08968	0.4
72.85960	0.4
88.07629	10.5
89.07955	3.1
102.09171	2.7
103.09507	0.8
106.08667	6.8
106.72797	0.4
107.08998	2.0
126.80177	0.4
128.12593	0.4
164.81917	0.4
193.51884	0.4
231.24989	0.8
242.87956	0.4
257.26688	7.5
275.27725	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38725	0.3
57.07084	3.1
57.07312	0.4
58.07402	0.8
70.06593	4.6
71.06924	0.9
71.08620	2.1
85.10206	0.5
88.07633	11.1
89.07964	3.6
96.94352	0.4
102.09190	2.6
103.09531	0.9
106.08669	7.5
107.08995	2.4
131.66362	0.4
257.16537	0.5
257.26675	8.1
275.19937	1.7
275.27737	100.0
288.73096	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.0479
Annotation	D-Glucosaminate-6-phosphate
Peak:m/z	Relative Intensity
50.34535	3.4
58.21825	3.9
60.94600	4.0
70.06577	10.5
72.08131	4.7
74.05376	4.4
75.98673	4.1
78.53242	4.6
94.29982	5.5
96.72209	4.5
103.66586	4.3
104.95491	5.0
134.16870	4.4
204.18253	4.5
235.54619	5.3
276.04825	100.0
276.16608	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	276.048
Annotation	2-Phthalimidoglutaric acid
Peak:m/z	Relative Intensity
51.91191	5.2
59.38391	5.4
66.59040	6.0
77.61683	4.8
99.82417	5.4
276.04773	100.0
294.43665	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	276.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	7.6
55.05521	25.6
58.99591	4.4
67.30341	0.5
70.06609	0.4
71.62041	0.5
72.04514	3.2
72.33051	0.4
73.01156	0.6
73.02900	0.6
83.08626	17.2
84.04517	0.6
86.99061	4.8
88.02226	0.8
90.05543	1.1
104.01694	18.4
116.01679	44.1
126.05590	0.5
132.95729	0.6
148.07559	2.4
158.02708	100.0
158.95081	0.6
159.08334	0.7
176.03754	34.0
183.14314	0.5
184.13263	1.0
188.06972	1.2
200.11093	0.5
258.11533	1.2
264.21207	0.6
276.12460	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	276.1266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	8.8
55.05523	22.6
57.15587	0.4
58.99599	4.5
58.99842	0.5
70.06557	0.6
72.04504	2.7
73.02911	0.9
77.42768	0.4
83.08626	16.2
86.09700	0.6
86.99060	4.5
88.02218	0.9
90.05547	0.7
98.97597	0.5
103.83810	0.4
104.01695	17.9
116.01678	37.9
120.08092	0.8
120.29163	0.5
124.27330	0.5
130.03293	0.5
130.06500	0.5
137.98738	0.5
144.06581	0.7
158.02710	100.0
171.09140	2.1
176.03764	30.0
193.00197	1.9
196.66345	0.4
276.12842	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	276.1343
Annotation	H-TRP-ALA-OH
Peak:m/z	Relative Intensity
51.94379	0.5
51.94954	0.5
70.06595	0.8
76.96326	0.6
83.06116	1.4
84.08164	0.7
86.09715	1.2
88.03992	9.4
99.05598	0.8
103.97487	0.6
104.09743	0.6
114.05521	0.8
120.30971	0.7
130.05618	1.2
130.06535	17.9
132.08095	37.4
132.10225	0.9
135.09033	0.6
138.88332	0.6
142.06575	1.5
144.08090	52.5
145.06041	1.0
153.43602	0.7
159.09184	100.0
160.07550	3.6
168.20386	0.6
170.06017	22.4
210.96815	5.2
211.97166	6.8
217.09767	2.8
228.97966	2.9
229.98169	5.3
234.98825	4.3
241.60263	0.7
259.10764	52.6
276.13370	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	276.1341
Annotation	L-Alanyl-L-tryptophan
Peak:m/z	Relative Intensity
60.13857	0.5
63.13570	0.4
80.83324	0.4
84.04510	0.8
84.08137	0.8
86.09710	6.3
87.10045	3.3
89.49286	0.5
91.05495	0.9
99.05588	7.0
102.05508	0.6
106.08636	0.5
118.06540	1.2
120.08107	0.9
129.10233	0.8
130.06532	5.1
132.08080	5.2
142.06474	0.5
144.06570	2.9
144.08055	3.8
145.06917	1.0
146.06003	20.8
146.49677	0.5
159.09146	6.3
162.07631	3.2
163.07942	3.2
170.06006	2.2
187.08641	2.7
188.07065	100.0
205.09718	37.9
223.05481	0.6
230.12727	3.5
241.06499	3.7
250.89954	0.5
253.04060	0.6
253.06549	1.1
258.12506	0.7
276.05087	2.1
276.13419	14.3
276.16214	1.4
276.20325	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1442
Annotation	Glutarylcarnitine
Peak:m/z	Relative Intensity
50.60221	1.5
53.51284	1.7
54.61816	1.7
56.05030	4.1
57.03442	2.0
59.03733	2.1
60.04517	8.1
61.41098	1.4
66.82506	1.9
68.05011	2.2
69.03411	9.0
69.07057	6.8
70.06601	3.3
72.08164	22.3
73.02943	1.8
74.06076	3.6
81.03413	6.2
84.04519	2.9
84.08141	13.5
85.02897	14.7
86.09712	100.0
87.03199	15.4
87.04453	1.7
87.05593	2.5
88.03994	40.4
90.98820	1.8
97.02895	15.6
98.09660	2.9
99.04439	3.3
102.05548	2.3
106.05028	2.4
110.05999	1.8
112.03942	10.8
112.44848	1.6
112.71529	2.2
114.09135	9.8
116.10717	1.8
120.06606	4.0
120.08105	3.7
125.69186	1.7
126.05466	2.3
127.03927	14.8
128.10654	7.5
129.10252	16.2
131.08122	7.9
132.10231	24.6
138.05513	2.2
143.05779	14.4
144.10179	9.0
145.06033	2.8
152.10648	2.5
157.09720	2.2
159.07587	2.5
159.11281	21.6
161.06816	15.1
164.10667	9.7
168.10162	3.3
171.11205	2.7
187.10760	8.7
194.11731	2.2
210.11238	10.0
212.12849	26.1
230.00813	1.7
230.13864	84.3
248.14792	7.9
258.10815	4.1
258.13281	54.2
276.09192	4.0
276.11804	12.7
276.14362	82.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1555
Annotation	H-Glu-Lys-OH
Peak:m/z	Relative Intensity
52.27130	0.8
56.05034	2.5
56.68013	0.9
60.04531	69.2
70.02925	2.2
70.06587	1.4
71.32655	0.9
72.04522	1.7
83.06110	88.8
84.04515	1.0
84.08138	6.4
86.09708	100.0
89.07149	5.3
91.05506	1.1
99.05579	1.9
102.44408	1.1
108.79990	0.9
115.18613	1.0
115.31470	1.0
117.06619	40.2
119.04974	1.5
120.08090	6.5
129.06618	1.7
129.10231	7.4
132.10202	83.6
136.07573	9.9
143.11801	43.4
145.06084	36.0
152.60330	1.2
156.07736	1.1
166.08601	1.2
171.11263	1.9
189.12341	40.6
230.12895	7.6
230.15054	1.2
231.13385	1.5
276.10684	1.4
276.13235	35.5
276.15674	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	276.1569
Annotation	(3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-2-yl)methyl benzoate
Peak:m/z	Relative Intensity
59.04999	2.1
67.05529	1.4
69.07041	1.1
79.05526	1.3
81.07050	1.1
83.08616	1.4
87.04470	2.0
88.56203	0.8
100.11278	1.7
101.11585	1.3
113.69217	0.9
119.08569	1.2
121.10143	0.9
130.74924	0.9
135.11703	1.2
136.06168	14.1
147.11774	1.0
159.10345	1.0
159.11736	1.2
235.19456	1.1
259.11697	1.0
259.20529	1.0
276.15686	100.0
276.17926	4.8
276.20422	6.8
276.22998	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	276.1594
Annotation	(3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-2-yl)methyl benzoate
Peak:m/z	Relative Intensity
53.99228	0.2
54.98549	0.2
55.77470	0.3
57.07080	1.4
63.10762	0.2
67.05486	0.2
67.17432	0.3
68.87407	0.3
68.92836	0.3
73.60291	0.3
75.87801	0.2
76.48927	0.3
76.58944	0.3
80.64545	0.3
87.37180	0.4
91.05476	0.4
105.07037	1.2
106.07323	0.3
113.02811	0.3
117.00629	0.3
121.62505	0.3
126.99011	0.3
133.10144	0.7
134.10458	0.7
146.06047	2.4
147.11687	0.5
148.12117	0.3
160.07561	0.6
160.89081	0.3
188.07104	0.3
202.12280	7.6
203.13055	1.4
220.09718	5.3
230.10649	0.5
249.23473	0.3
258.19614	0.4
259.20572	0.5
260.12790	2.7
261.13599	3.5
276.15955	100.0
276.20206	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	276.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07075	2.7
58.07401	1.0
60.72044	0.4
65.00058	0.4
65.78236	0.4
65.95822	0.4
66.01796	0.4
70.06592	3.9
71.06920	1.8
71.08627	1.7
71.80392	0.5
79.57930	0.5
84.24363	0.4
88.07626	8.2
89.07936	4.4
90.08056	0.8
102.09196	0.8
103.09512	0.8
106.08681	4.3
107.09009	2.9
108.09091	3.3
141.52318	0.5
232.25085	0.4
258.26974	9.3
260.18222	0.5
276.28003	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07075	2.7
58.07401	1.0
60.72044	0.4
65.00058	0.4
65.78236	0.4
65.95822	0.4
66.01796	0.4
70.06592	3.9
71.06920	1.8
71.08627	1.7
71.80392	0.5
79.57930	0.5
84.24363	0.4
88.07626	8.2
89.07936	4.4
90.08056	0.8
102.09196	0.8
103.09512	0.8
106.08681	4.3
107.09009	2.9
108.09091	3.3
141.52318	0.5
232.25085	0.4
258.26974	9.3
260.18222	0.5
276.28003	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.4
55.05512	2.1
56.05036	4.8
56.25432	1.0
57.03428	4.6
57.07075	6.0
58.02978	1.9
58.06602	2.8
60.04557	1.9
61.02929	1.1
69.03433	10.7
69.07064	4.9
70.02959	31.4
70.06592	2.7
72.04513	2.1
73.02917	12.4
73.06551	2.6
75.04483	7.7
80.01388	8.7
81.03419	2.9
81.07067	1.7
83.04993	1.5
84.00884	1.7
84.04513	9.9
84.08161	2.5
85.02922	15.5
86.06068	4.9
86.09722	1.2
87.04494	2.1
88.04017	2.9
89.19864	1.1
95.08629	1.5
96.04495	2.4
97.02905	11.7
97.78341	1.0
98.02422	100.0
98.97577	4.9
99.03197	35.8
99.04462	2.4
100.03985	71.8
101.06042	2.5
102.05537	12.9
104.01266	1.5
105.07018	1.1
110.01250	2.0
110.02412	1.6
111.05579	2.3
112.03969	16.6
113.02396	1.2
113.07136	2.8
115.03936	2.0
115.07550	1.7
116.03455	8.2
116.98601	1.6
117.05513	1.4
118.04990	1.2
119.01808	1.3
120.08086	5.2
125.01770	2.3
126.00956	2.6
126.01886	78.6
127.03951	2.7
128.02304	1.5
128.03400	2.4
129.05470	6.9
130.05020	29.3
130.05966	1.2
130.06511	7.6
131.01796	2.8
131.03473	1.7
132.95815	6.4
134.02315	1.7
136.07587	2.5
137.05969	1.5
140.02350	2.8
140.03441	13.1
140.08136	1.3
141.02948	2.6
144.02927	59.4
144.06613	1.8
145.04962	5.0
146.04547	8.8
146.06000	7.8
150.05513	2.6
150.96919	2.5
155.04532	6.7
158.04495	81.1
158.97475	1.9
158.99648	5.9
160.07584	2.2
161.01472	1.3
161.02867	4.6
168.05441	1.7
169.02638	1.8
170.00830	20.1
170.99654	5.1
172.07585	8.1
173.07210	1.4
174.03979	7.0
174.05525	2.3
174.96901	4.6
177.00761	2.1
177.06017	1.4
181.07642	4.6
182.03459	1.7
183.03928	2.1
183.09180	6.3
184.07602	2.4
186.96788	1.5
188.01912	2.8
189.00748	2.6
190.07170	2.1
191.11838	1.8
198.06474	1.6
198.56625	1.9
198.96906	6.4
199.08636	23.2
200.09558	1.4
201.00693	1.8
201.05122	1.5
201.10278	4.5
202.03471	89.3
202.09756	1.5
217.09744	8.3
219.07016	8.9
219.57249	5.2
227.08276	2.1
230.09241	2.2
231.07727	12.5
233.13977	4.5
234.06114	9.3
234.99054	9.2
235.16830	1.8
237.02777	1.9
245.03957	2.3
245.09186	42.9
246.08701	1.4
256.10526	2.4
256.60834	8.5
259.05649	2.9
259.11407	11.6
259.14352	1.8
277.00101	6.7
277.06485	19.8
277.13019	61.8
277.17822	2.3
293.09064	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	277.0685
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15786	4.9
60.78861	5.3
64.87746	4.9
80.11980	5.1
101.00890	6.6
119.01913	31.2
143.01910	33.8
155.01938	11.2
157.03482	23.6
158.49864	6.0
161.02963	72.1
173.02931	25.0
175.04546	13.2
182.65050	5.9
185.02927	26.0
187.04523	10.8
191.78380	5.2
197.03053	6.2
199.04634	6.7
203.03853	9.4
217.09708	6.8
277.07288	100.0
295.08673	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	277.0684
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57673	5.4
97.44336	6.3
115.03152	5.8
119.01878	8.7
143.01828	10.6
157.03447	11.1
161.02945	33.4
173.02994	8.0
175.04471	6.5
203.04002	7.2
277.06909	100.0
295.08792	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	277.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95097	1.8
53.26215	1.9
94.06562	2.8
101.00889	14.6
119.01912	27.2
131.01904	9.2
137.02968	4.6
143.01895	37.5
145.03426	12.8
155.01913	16.9
157.03464	24.7
159.01334	2.5
161.02954	64.0
167.01918	4.0
169.03462	2.4
173.01642	2.7
173.02989	26.0
175.04489	20.1
183.04939	2.6
185.02951	29.2
187.04527	15.8
191.04013	3.2
191.44370	2.4
197.02820	2.8
199.04500	3.1
203.03972	14.4
205.05576	5.8
217.05670	3.2
245.05115	4.1
259.06598	2.9
277.07498	100.0
295.08713	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	277.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64762	0.2
56.05042	10.5
57.03440	0.5
58.02952	0.3
58.04079	1.9
58.06600	1.2
59.05000	0.4
60.04540	2.2
60.05653	2.4
60.37064	0.2
61.04031	0.3
68.05025	0.7
69.03424	1.3
69.04534	2.0
70.06592	2.7
71.04987	0.4
72.04515	12.6
72.08149	1.1
73.06567	0.3
74.02442	6.1
74.06078	11.1
75.04478	3.1
76.05126	30.9
81.04544	0.5
82.06599	0.3
82.99804	0.4
83.04880	0.5
83.06110	1.6
84.04506	2.8
84.05621	3.6
84.08135	3.1
85.02926	1.0
85.04014	2.6
86.03558	0.4
86.06046	1.6
86.07179	0.4
86.09689	0.5
88.03975	0.4
96.05605	6.3
97.02866	0.5
97.06380	1.9
97.07691	0.3
98.06033	0.4
98.07159	2.5
99.05574	0.6
100.05096	1.2
100.07626	2.1
101.00893	2.4
101.06016	11.0
102.05544	16.3
102.06599	3.1
103.15115	0.3
108.05566	0.5
109.02834	0.4
109.06335	0.4
110.07133	3.1
111.05547	4.4
112.05077	11.7
112.07600	0.4
113.00864	0.6
113.07217	0.4
114.06653	2.5
116.07092	1.4
116.08213	9.3
117.06582	0.6
118.05014	18.0
118.06072	2.0
119.01903	8.7
119.57510	0.4
120.05651	0.8
120.06564	5.9
122.05961	0.3
122.07181	0.5
123.07925	0.3
124.05133	0.3
124.07876	0.4
124.08708	3.0
125.07085	2.5
125.07961	0.3
126.05649	0.6
126.06631	19.2
127.02374	0.3
127.04991	0.6
127.07412	5.8
128.07184	0.5
128.08185	4.9
129.06589	1.3
129.07576	0.3
130.05069	0.4
130.09749	0.4
131.01877	4.1
131.09229	0.4
132.95860	2.6
133.03453	0.5
135.07639	3.5
137.02940	1.6
138.05533	0.5
139.04915	0.3
140.07053	4.2
140.08191	1.7
143.01898	12.0
144.07674	100.0
145.03470	3.5
145.06033	0.4
146.08131	0.7
147.85840	0.3
148.98997	0.3
149.02927	0.3
150.06618	8.7
150.96913	0.5
152.08168	1.6
155.01878	8.5
156.06573	2.0
156.07668	0.4
156.10182	2.6
157.03468	5.8
157.06108	0.3
158.05611	0.5
158.08060	1.0
158.09227	6.4
158.97369	0.7
159.01349	0.6
159.08754	1.6
160.06116	0.8
160.07158	18.9
161.02945	24.0
163.04350	0.4
167.01881	3.1
169.03551	0.4
170.97337	1.2
171.04921	0.4
173.02936	11.0
174.07587	0.4
174.96918	0.3
175.04572	2.4
176.06694	0.4
176.08841	0.5
176.10298	12.9
176.11832	0.4
177.09830	24.1
182.09216	2.1
184.05994	3.2
184.10774	1.4
185.02946	9.6
185.05429	0.5
186.96832	0.4
187.04494	2.8
191.04004	1.6
194.05075	0.5
196.07141	1.3
197.02992	1.5
198.96841	1.5
199.04486	0.6
199.11877	0.3
200.10291	1.4
202.07083	1.8
203.03995	3.1
205.05533	1.5
210.96902	0.6
213.09789	9.3
215.13809	0.4
216.97876	0.5
217.05522	0.5
218.05193	0.5
219.10843	1.2
221.04904	0.6
227.04034	0.4
227.11400	0.7
228.09764	22.3
232.12839	1.5
234.98970	1.6
235.06535	0.3
236.06218	0.6
241.09467	0.3
241.12872	0.6
242.11179	0.3
245.05240	3.3
245.12416	78.9
259.10257	1.5
259.13959	6.0
260.12357	1.4
263.05899	0.5
276.99951	0.7
277.07538	27.3
277.11411	7.1
277.14999	44.0
277.92648	0.3
284.28482	0.3
295.08698	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	277.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29388	0.6
56.05029	0.9
84.04510	46.0
84.08135	1.2
86.09715	1.6
103.05465	0.9
117.03679	1.6
120.08103	100.0
131.04916	2.9
136.07651	0.8
141.92828	0.7
149.06010	0.8
166.08632	38.2
186.09093	5.7
193.93707	1.0
201.57651	0.7
209.88939	0.8
217.07022	0.7
231.11269	21.1
259.10861	3.5
277.11734	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	277.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73335	0.6
59.12849	0.5
72.45837	0.6
77.55907	0.6
78.15052	0.6
84.04510	41.4
84.08155	0.8
86.09697	1.2
98.02410	2.9
100.03971	1.6
104.69650	0.7
120.08102	100.0
126.01846	1.1
131.04924	1.4
131.61728	0.7
136.07591	1.0
144.02965	1.0
149.06012	2.8
158.04492	1.8
166.08629	35.1
168.14333	0.7
186.09143	5.7
195.54294	0.8
202.03452	1.0
219.02808	1.2
231.11287	19.7
254.25531	0.8
259.10916	1.5
277.10251	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	277.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.3
56.04808	0.3
56.05045	4.2
57.05813	0.3
65.87312	0.2
69.03430	2.6
69.04562	0.4
69.07061	0.2
70.06599	2.1
71.06094	0.3
81.03410	0.5
83.06112	1.8
84.04509	0.4
84.08155	1.5
85.02901	0.5
85.06522	0.2
86.09707	0.3
87.05585	1.1
91.05457	0.2
95.06074	1.7
97.02891	0.9
97.04014	0.4
97.10168	0.5
99.04479	0.8
99.05577	0.2
100.08729	0.4
104.50758	0.2
105.03375	0.3
110.07143	0.4
111.04478	0.2
111.04861	0.3
111.05569	3.9
112.08706	1.2
113.07135	4.5
115.03925	0.3
115.08717	0.4
120.04465	1.5
120.08079	1.0
123.05550	0.4
126.06638	1.7
127.07446	1.9
127.38631	0.2
128.08188	0.3
130.06523	0.3
132.04442	1.6
132.08092	0.5
134.06038	0.5
140.08208	2.3
146.06001	1.8
147.04411	0.2
147.06288	0.3
148.03922	1.5
150.05508	3.8
158.05948	0.2
165.06593	1.6
166.97960	0.2
168.08116	0.4
174.05557	1.8
176.07082	2.0
186.09148	1.3
187.08665	5.2
188.07068	1.0
189.07594	2.7
198.58110	0.2
202.09749	2.4
203.08197	1.1
205.09584	0.3
206.10063	0.9
216.11369	0.3
219.07745	0.3
220.10831	0.4
230.09239	3.2
231.07640	23.7
232.10861	1.4
233.09247	0.9
233.13962	5.8
234.99046	1.3
246.08699	1.5
259.11911	20.1
260.10358	2.2
277.00012	1.5
277.12955	100.0
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	Unknow
Peak:m/z	Relative Intensity
55.01880	3.1
55.05517	2.6
57.07083	1.0
57.41111	0.5
67.05504	4.9
69.07061	3.4
71.08635	0.9
74.35172	0.6
79.05511	4.5
81.07059	18.3
83.08630	2.6
85.02915	1.0
91.05453	2.8
93.07041	6.0
95.04968	1.2
95.08591	6.7
97.06512	0.7
99.08072	0.7
101.53956	0.7
105.07007	2.9
107.08583	6.2
109.06520	7.8
109.10161	3.0
111.04434	11.7
111.08067	1.1
117.76347	0.6
119.08566	4.0
121.10155	5.2
125.05972	1.0
131.08543	0.9
133.10109	4.5
135.08043	1.4
135.11694	4.2
137.05981	100.0
137.13292	0.8
145.10120	1.0
147.08073	1.0
147.11725	4.7
149.09648	3.3
149.13261	1.2
151.07585	3.6
151.11122	0.7
157.10109	1.0
161.09590	5.1
161.13257	1.6
163.11179	2.6
163.14824	0.6
165.09109	1.0
165.12711	0.6
175.11186	2.8
175.14850	1.1
179.10727	1.2
184.71309	0.7
199.58070	0.7
203.17955	3.1
213.16385	1.2
221.19026	1.1
231.17444	5.9
249.18451	4.7
271.08887	0.6
277.17972	13.9
277.21567	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	277.1796
Annotation	Onchidal
Peak:m/z	Relative Intensity
55.01870	1.5
57.07082	1.3
67.05505	2.4
69.07073	1.8
71.06962	1.0
73.13125	1.1
81.07056	18.1
88.92132	0.9
93.07029	4.4
95.08608	2.5
105.67960	1.0
109.06522	12.3
109.10193	1.3
111.04432	12.6
112.97697	1.0
121.10096	1.6
125.05918	1.5
133.10126	4.8
135.11676	2.7
137.05978	100.0
147.11656	2.0
151.07552	2.0
154.81383	1.2
161.09630	4.6
163.11221	1.3
175.11253	1.8
203.17920	2.1
213.16425	1.2
223.48726	1.1
231.17403	2.6
241.19753	1.1
249.18399	5.3
277.18021	12.4
277.20889	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	Unknow
Peak:m/z	Relative Intensity
55.01870	2.5
55.05512	2.0
56.48954	0.4
57.07056	0.6
64.60081	0.4
67.05509	4.0
69.07065	3.2
71.37625	0.4
72.38206	0.4
77.50252	0.4
79.05502	3.3
81.06615	0.7
81.07062	16.1
83.04965	0.7
83.08603	1.8
91.05476	1.8
93.07047	6.0
95.08622	3.3
97.10175	0.4
105.07054	1.6
107.08594	4.9
108.66643	0.4
109.06515	8.6
109.10152	2.1
111.04438	10.6
111.08115	0.6
117.06984	0.4
119.08569	2.0
121.10150	3.1
123.08057	1.0
123.11713	1.6
125.06016	3.0
131.08559	0.8
133.10141	2.6
135.08044	1.1
135.11668	3.8
137.05980	100.0
137.13232	0.7
145.10106	0.6
147.08041	0.8
147.11694	3.7
149.09592	1.8
149.13255	2.0
151.07533	1.8
151.11154	0.5
153.09113	0.4
157.10095	1.9
161.09618	4.2
161.13240	0.8
163.11183	1.9
165.09093	0.8
165.12730	0.4
167.10692	0.4
171.11743	0.6
175.11176	3.5
179.10640	1.7
189.12759	0.9
193.12289	0.5
198.05577	1.8
203.17924	3.6
213.16347	1.8
221.18953	1.6
223.08554	0.5
231.17450	6.0
235.16956	0.8
249.18521	4.6
277.17999	13.0
277.21585	4.2
279.83313	0.4
280.32739	0.5
295.19144	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	277.1799
Annotation	Buddledin A
Peak:m/z	Relative Intensity
55.01876	1.4
55.05515	4.1
57.07087	1.1
60.00847	0.5
67.05508	7.4
67.88930	0.6
69.07074	6.5
71.08638	2.6
73.91969	0.5
79.05496	8.1
81.06615	1.1
81.07063	22.5
83.04974	1.4
83.08611	2.2
91.05488	3.9
93.07041	11.6
95.04971	1.1
95.08591	7.7
95.75259	0.5
97.06536	2.3
97.10169	1.4
105.07051	1.3
107.08585	7.5
108.88605	0.6
109.06525	9.2
109.10152	4.0
111.04436	10.4
111.08085	0.7
115.58149	0.6
119.08554	4.2
121.10145	10.0
123.08060	1.0
123.11718	1.4
125.06002	2.4
129.07040	0.9
131.08559	1.2
133.10135	4.2
135.08057	1.4
135.11668	8.6
136.34796	0.5
137.05981	100.0
137.09605	2.4
137.13214	0.8
137.27533	0.6
139.11134	0.9
141.12672	0.8
143.08496	1.1
145.10129	2.4
147.11708	5.6
149.09593	2.2
149.13275	3.8
151.07544	2.5
151.11282	1.2
157.10107	1.1
161.09618	3.9
161.13239	2.6
163.11211	3.3
164.48407	0.6
165.09099	1.1
165.12767	0.9
171.11699	0.9
175.11203	3.0
175.14789	1.1
179.10689	0.7
189.12807	0.9
193.12225	1.4
195.25658	0.6
203.17943	3.7
213.16414	0.9
231.17455	4.5
241.16014	0.7
249.18425	4.4
259.20435	0.8
260.20947	0.7
277.18002	11.4
277.21600	18.8
295.18835	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	277.2161
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03954	1.6
55.01891	2.0
55.05502	8.9
56.35365	1.5
56.77575	1.4
57.07072	2.9
60.88900	1.6
63.11571	1.5
64.15639	1.6
67.05520	23.2
67.80001	1.6
69.07077	12.6
71.04986	2.1
71.08650	2.4
71.12362	1.6
77.81432	1.9
79.05502	31.1
81.03414	7.6
81.07059	28.3
83.04973	3.2
83.08614	9.8
83.41737	1.8
91.05467	11.5
93.07042	45.3
95.04969	9.6
95.08600	23.5
97.10172	2.4
105.07041	13.5
107.08591	34.0
109.06504	3.6
109.10179	10.5
111.08094	3.3
117.07025	3.0
119.08585	11.2
121.10144	19.7
123.08068	2.4
123.11689	3.5
131.08525	2.3
133.10133	10.8
135.11687	20.3
145.09999	2.0
147.11707	11.0
149.13268	9.7
151.11201	6.8
154.03174	1.7
161.13242	8.2
163.14792	4.3
171.11711	3.4
175.11227	2.5
175.14778	2.3
185.13197	2.1
188.78629	2.0
198.05537	7.5
217.19478	2.1
235.17003	2.8
241.19525	2.4
259.20639	7.8
277.18555	3.4
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	277.2162
Annotation	Nandrolone
Peak:m/z	Relative Intensity
53.03963	2.2
54.69619	1.7
55.05522	17.1
57.07090	2.5
59.63934	1.5
63.82639	1.7
67.05516	25.2
69.07072	24.4
71.08653	2.2
76.80662	1.9
79.05502	35.6
81.03428	20.3
81.07071	27.4
83.04984	3.9
83.08622	7.9
91.05477	14.6
93.07046	58.8
95.04974	10.9
95.08615	16.1
97.10170	2.4
105.07056	14.7
107.08604	31.5
109.06531	3.4
109.10178	9.8
117.07056	3.9
119.08572	13.6
121.06638	2.0
121.07516	2.4
121.10153	16.7
123.08079	3.5
129.06987	3.9
133.10121	14.5
135.11710	18.7
143.08536	2.9
147.11691	13.0
149.13251	16.0
151.11179	13.3
161.13278	14.6
163.14815	8.7
165.12798	2.4
175.14940	2.3
177.12817	2.1
180.23325	2.3
189.12695	2.7
202.29880	2.2
259.20517	2.4
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	277.216
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
51.00633	2.4
53.03944	3.4
55.05513	20.2
55.07594	3.0
55.83166	3.1
64.97762	2.8
67.05511	39.7
67.88630	3.6
69.07068	16.5
71.08633	36.8
77.02498	3.5
77.40315	3.1
79.05494	38.6
81.07059	53.5
82.77000	3.6
82.85445	3.4
83.04984	5.0
83.08614	7.5
91.05481	20.5
93.07035	89.6
95.04962	12.9
95.08621	43.2
97.06531	5.9
97.10150	5.4
99.08077	15.2
105.07030	8.2
107.04940	5.1
107.08595	63.8
109.10141	18.6
114.54794	3.1
119.08585	17.3
121.10120	52.2
131.08537	5.3
133.10118	6.4
135.11690	70.5
139.48248	3.6
147.11633	5.6
149.13257	15.9
151.11165	16.9
161.13239	7.9
165.12715	3.4
179.14333	34.4
183.45659	3.6
189.12636	3.3
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	277.2161
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
54.44195	1.9
55.05510	12.9
56.32999	2.0
59.29171	2.2
63.03301	2.9
67.05511	23.7
69.07067	10.5
71.08636	29.6
79.05499	38.5
81.07063	46.7
83.04967	3.6
83.08624	9.7
91.05470	15.1
92.21593	2.4
93.06484	3.8
93.07043	84.6
93.86968	2.4
95.04970	3.3
95.08604	30.2
99.08091	15.0
105.07037	15.2
107.04936	3.1
107.07215	2.9
107.08595	52.4
109.06528	3.6
109.10153	11.9
114.21348	2.5
119.08557	13.2
121.10135	40.9
133.10124	11.2
135.11674	56.0
137.09631	3.7
145.10117	4.1
147.11681	2.7
149.13266	16.0
151.11153	14.3
154.44695	2.2
159.11653	3.0
161.13239	4.9
163.11145	4.2
163.14766	4.4
171.11734	3.7
179.14317	29.6
234.12187	3.3
259.20486	3.3
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	277.2161
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
50.81900	1.5
53.03958	2.6
55.01881	3.0
55.05514	11.2
56.62687	1.8
57.07082	3.0
61.56429	1.6
64.89775	1.5
67.05513	32.4
67.31560	1.9
69.07071	28.7
71.08623	8.3
79.05494	31.1
81.03424	37.2
81.07065	41.7
83.04979	9.7
83.08614	9.0
85.06557	2.3
91.05453	16.0
92.36192	1.7
93.07040	51.2
95.04977	32.5
95.05842	2.1
95.08624	20.0
97.10139	4.5
105.07047	18.5
107.08595	24.5
109.06534	7.7
109.10158	20.9
111.08115	3.8
118.88575	2.1
119.08580	15.2
121.10162	13.2
123.11689	7.1
125.09614	4.5
131.08578	2.7
133.06445	2.2
133.10123	15.7
134.41505	1.8
135.11688	11.2
143.08527	3.5
147.11668	14.0
149.13290	4.8
151.11151	25.5
161.13293	10.0
163.14777	4.8
165.12762	11.6
166.87161	2.1
175.11241	3.2
175.14819	2.8
179.14378	2.6
207.13799	3.3
217.19566	2.9
231.21150	10.3
241.19589	3.3
259.20599	9.1
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	277.2161
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
52.09256	1.5
55.05497	8.2
57.03455	2.1
57.07055	1.8
67.05505	17.8
67.29472	1.7
69.07062	9.8
71.04996	4.8
71.37486	1.5
75.07150	2.1
79.05495	30.0
81.07051	25.5
83.08628	7.2
87.19498	1.7
91.05459	9.0
91.75944	1.8
93.07043	51.7
95.08606	25.0
99.08060	2.9
105.07009	12.2
107.08588	30.5
109.06559	3.0
109.10160	13.8
117.06974	3.8
119.08557	9.8
121.10128	35.1
123.08092	3.5
131.08574	2.5
133.10107	7.4
135.11687	28.8
137.09607	3.4
145.10092	4.4
147.11676	8.9
149.13272	17.1
159.11700	2.7
161.13228	7.3
165.46716	1.9
168.39586	2.0
173.13194	8.4
191.14342	2.5
205.15752	3.0
219.03354	1.8
259.20538	9.2
266.40689	2.1
277.21588	100.0
280.79388	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	277.2161
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
50.81747	2.5
51.46193	2.5
53.03952	14.5
55.01881	4.5
55.05518	18.2
60.69709	2.7
67.05519	45.9
69.07080	31.8
71.08626	5.5
79.05503	37.4
81.03425	59.0
81.07070	46.4
83.04983	14.9
83.08637	5.3
91.05497	16.7
93.07051	46.1
95.04978	31.8
95.08615	23.6
97.10171	6.0
99.08095	3.3
105.07050	24.7
107.08607	29.0
109.06545	7.6
109.10158	16.8
116.34286	3.0
119.08591	16.7
121.10175	13.8
125.09592	6.0
127.42110	3.6
131.08511	3.8
133.10150	18.6
135.11754	4.2
146.06238	4.1
147.11699	14.9
151.11166	37.6
156.85596	3.3
161.13280	8.2
165.12735	15.1
171.11798	4.0
183.51524	3.6
185.13336	3.6
259.20645	6.6
273.72830	3.4
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	Unknow
Peak:m/z	Relative Intensity
50.81747	2.5
51.46193	2.5
53.03952	14.5
55.01881	4.5
55.05518	18.2
60.69709	2.7
67.05519	45.9
69.07080	31.8
71.08626	5.5
79.05503	37.4
81.03425	59.0
81.07070	46.4
83.04983	14.9
83.08637	5.3
91.05497	16.7
93.07051	46.1
95.04978	31.8
95.08615	23.6
97.10171	6.0
99.08095	3.3
105.07050	24.7
107.08607	29.0
109.06545	7.6
109.10158	16.8
116.34286	3.0
119.08591	16.7
121.10175	13.8
125.09592	6.0
127.42110	3.6
131.08511	3.8
133.10150	18.6
135.11754	4.2
146.06238	4.1
147.11699	14.9
151.11166	37.6
156.85596	3.3
161.13280	8.2
165.12735	15.1
171.11798	4.0
183.51524	3.6
185.13336	3.6
259.20645	6.6
273.72830	3.4
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	277.2159
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
53.97485	1.7
54.04528	1.5
55.01883	3.4
55.05508	10.5
57.07075	1.7
60.09586	1.7
67.05505	21.6
69.07058	11.8
69.97779	1.6
71.03159	1.6
71.04982	2.0
71.08627	17.3
73.98244	1.8
79.05500	19.6
81.03394	2.1
81.07062	29.4
83.08610	8.1
91.05477	11.5
91.10547	1.9
93.07047	39.8
95.04962	4.6
95.08610	17.6
97.06541	2.5
99.08087	10.4
105.07043	10.6
107.04937	2.0
107.08592	26.1
109.10136	8.8
111.08102	8.4
115.89990	2.2
117.06956	2.3
119.08568	10.2
120.40408	1.9
121.10145	14.2
123.11738	2.9
125.77490	1.9
131.08595	2.4
133.10112	10.0
135.11707	21.6
137.09616	2.4
143.08597	2.1
145.10100	7.0
147.11716	9.0
149.13239	9.0
149.76675	2.1
151.11151	8.6
157.10178	2.2
161.13251	4.6
163.11166	14.4
165.12759	4.6
171.11745	2.3
175.14832	2.5
179.14247	3.3
259.20578	10.1
264.44519	2.0
277.21606	100.0
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	Nandrolone
Peak:m/z	Relative Intensity
55.05525	13.0
58.68064	1.8
63.91222	1.7
67.05205	2.1
67.05509	24.0
69.07060	16.6
73.49026	1.8
78.94614	1.6
79.05497	50.0
81.05254	1.9
81.07060	28.5
83.08612	8.7
85.06534	1.7
91.05483	12.4
93.06480	3.5
93.07046	95.7
93.61321	1.9
94.23100	1.9
95.08620	26.5
97.10174	3.5
97.99022	1.8
103.72118	2.7
105.07037	10.5
107.08598	49.3
109.10164	12.8
113.13985	1.8
116.74953	1.9
117.06998	2.1
119.08582	9.7
121.10145	46.1
123.11658	3.8
131.08531	2.3
133.10126	9.2
135.11699	57.6
145.10202	2.6
147.11688	9.8
149.13251	19.1
150.85785	2.0
151.11043	2.0
154.37656	1.8
159.11702	3.1
161.13260	4.2
163.14821	3.1
173.13297	3.3
175.14824	2.6
182.08398	2.2
195.13754	1.9
218.87012	1.9
221.37569	1.8
235.17050	3.0
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	277.2163
Annotation	Nandrolone
Peak:m/z	Relative Intensity
55.05517	12.1
57.07070	2.9
67.05521	18.1
68.31796	1.1
69.07064	14.2
70.88593	1.4
79.05502	56.5
80.24508	1.1
81.07061	26.6
83.04971	1.3
83.08624	9.0
85.06535	1.6
91.05475	11.7
93.07046	96.2
95.04980	2.0
95.08607	21.3
97.10189	3.0
99.00233	1.3
105.07005	12.3
107.08595	46.8
109.10175	13.6
115.03211	1.3
117.07022	1.4
119.08562	7.9
121.10142	44.9
123.11671	5.2
131.08588	2.3
131.81267	1.3
133.10098	13.4
135.11696	62.8
139.55293	1.3
143.08575	1.6
145.10051	1.6
147.11702	10.5
149.09525	1.7
149.13263	25.6
161.13242	6.1
163.14780	6.2
171.11705	1.8
175.14806	2.3
213.16283	1.6
221.15237	2.0
221.17433	1.5
235.16853	2.5
259.20651	2.9
277.21606	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
61.15219	0.5
72.81486	0.6
78.98556	7.5
107.01659	41.6
119.59167	0.5
120.04501	1.0
127.91714	0.5
132.93019	0.5
136.06190	2.6
137.02682	100.0
163.09668	0.5
176.79523	0.6
190.67554	0.5
247.99641	0.6
273.91653	0.6
278.07205	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	278.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72134	0.6
56.05038	3.7
57.07068	1.7
58.06615	6.5
58.06836	0.9
61.30074	0.6
71.08628	2.8
74.06068	4.1
86.06081	5.6
88.07624	12.2
100.07633	1.0
104.07101	5.1
111.10659	0.8
118.67346	0.8
123.11494	0.8
132.10205	5.6
147.94896	0.8
162.11217	1.8
166.10733	3.9
178.44739	0.7
186.18523	63.6
198.18571	0.8
230.21115	18.5
260.22119	3.5
278.08081	3.3
278.23242	100.0
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
51.85741	0.7
56.05042	1.4
57.07092	0.8
58.06593	4.8
60.04485	0.9
63.68637	0.7
70.06590	1.1
71.08627	2.0
74.06079	4.1
86.06064	5.3
88.07639	9.6
88.25948	0.8
97.40125	0.8
104.07100	5.2
132.10210	2.1
134.45894	0.9
162.11198	3.2
166.10727	3.9
175.60696	1.0
186.18538	50.4
214.75400	1.0
230.21153	16.7
260.22141	1.9
278.08017	7.5
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	278.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	3.1
57.07079	2.8
58.06609	6.2
59.95207	0.4
60.04535	0.4
61.87112	0.4
63.95839	0.5
65.95526	0.4
67.53951	0.6
69.03384	0.5
69.07055	0.5
70.06620	0.5
71.08630	2.2
71.48843	0.3
72.08134	0.5
74.06084	3.8
86.06071	5.4
88.07630	12.2
88.54430	0.4
89.06056	0.6
100.07628	0.7
104.07114	5.5
132.10213	4.0
162.11230	2.6
166.10788	4.5
172.16968	0.7
186.18529	52.1
198.18536	0.9
211.38977	0.5
226.12044	0.4
230.21169	18.4
260.22122	3.2
278.08215	2.6
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	278.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79092	0.4
56.05030	3.3
57.07074	2.6
58.06612	6.8
60.04517	0.8
64.58608	0.5
70.06573	0.5
71.08618	3.0
72.08157	0.6
74.06087	5.0
76.85917	0.5
86.06077	5.7
87.04473	0.5
88.07634	10.5
89.06016	0.6
100.07568	0.6
104.07086	4.0
110.55411	0.5
118.08673	1.1
132.10205	3.4
140.12395	0.5
162.11247	2.4
166.10754	4.0
186.18533	53.6
196.89886	0.5
198.18596	0.7
230.21153	17.6
247.69920	0.6
260.22205	2.3
278.08090	3.3
278.23251	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	278.2477
Annotation	Obscuraminol A
Peak:m/z	Relative Intensity
54.24181	1.6
54.24744	1.6
55.01871	1.5
55.05513	7.7
57.07082	8.0
67.05178	3.3
67.05515	64.9
67.05879	2.6
69.07067	12.6
79.05493	13.0
81.07063	100.0
83.08629	15.6
86.98820	2.1
89.69693	1.7
91.05503	3.7
93.07037	25.8
94.85934	1.9
95.08611	94.4
97.06532	2.4
97.10159	8.0
99.08112	1.8
100.07593	4.3
105.07051	11.7
107.08592	28.6
109.06487	3.0
109.10160	63.8
111.08061	3.1
114.09170	3.8
117.07032	2.3
119.08574	9.7
121.10167	28.6
123.11693	27.4
128.10706	4.5
131.08563	11.6
133.10130	12.9
135.11703	26.4
137.13225	8.4
139.11125	2.1
145.10132	4.4
147.11688	13.1
149.13235	25.6
151.14824	3.7
159.11647	8.2
161.13220	11.2
163.14835	17.7
165.12738	2.7
170.15396	3.2
173.13249	12.5
177.12732	4.5
177.16365	10.2
177.77501	1.8
179.14433	3.2
182.15399	2.3
184.58795	2.0
187.14795	4.8
191.14366	2.4
205.15817	2.3
222.18581	2.7
233.22551	3.5
243.21094	35.5
260.82678	1.9
261.22131	64.8
267.00867	2.5
278.21902	6.6
278.24762	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	278.2474
Annotation	Obscuraminol A
Peak:m/z	Relative Intensity
53.13593	1.9
55.05512	3.5
55.79239	2.2
56.13379	2.2
63.27767	2.2
63.86283	2.1
67.05180	4.3
67.05509	76.8
69.07063	19.3
79.05492	17.4
81.07060	100.0
83.08614	15.0
86.06071	4.1
93.07035	30.5
95.08607	96.7
97.06481	4.1
97.10160	6.3
100.07616	5.9
105.07034	8.9
107.08626	22.2
109.10153	53.8
114.09099	4.5
119.08563	4.4
121.10136	33.8
123.11681	26.3
128.10716	4.4
131.08562	13.8
133.10153	13.8
135.11678	28.8
137.13272	16.6
140.10767	2.7
142.12270	3.2
145.10117	12.1
147.11662	12.0
149.13269	19.3
151.14844	3.7
159.11700	10.1
161.13254	6.3
163.11159	3.8
163.14810	24.9
170.15303	2.5
173.13226	5.2
177.16389	10.4
178.77289	2.6
182.15318	3.4
187.14789	12.0
191.14380	3.5
219.21056	3.0
243.21046	40.0
261.22125	70.9
278.24786	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	278.2477
Annotation	Obscuraminol A
Peak:m/z	Relative Intensity
51.87228	1.9
54.56668	1.9
55.05518	5.6
57.07066	2.4
66.00154	2.0
67.05507	70.9
69.07076	12.3
79.05502	15.2
81.07063	98.0
82.93046	2.1
83.08627	18.5
86.06054	3.2
91.05491	5.4
93.07041	21.7
95.08609	100.0
97.06530	3.2
97.10193	4.4
100.07622	3.5
105.07036	9.9
107.08595	28.2
108.73521	2.3
109.06463	3.5
109.10155	61.3
111.08104	2.4
111.11678	3.1
114.09185	3.3
119.08586	12.6
121.10141	27.6
123.11703	24.7
125.09637	3.5
128.10730	4.4
131.08571	13.9
133.10143	9.6
135.11719	26.7
137.13272	5.4
142.12267	4.5
145.10144	9.3
147.11694	14.5
149.13269	17.0
151.14790	5.2
156.13837	3.0
159.11687	10.0
161.13243	9.8
163.11119	3.2
163.14862	13.0
165.12660	3.2
171.41313	2.8
173.13240	5.8
177.16435	4.8
177.62180	2.5
187.14825	10.8
243.21094	35.5
261.22141	68.7
278.22009	4.8
278.24789	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	278.9517
Annotation	Unknow
Peak:m/z	Relative Intensity
81.49412	5.2
94.92997	9.5
98.97587	23.1
116.98627	15.0
119.01946	7.8
134.99646	8.1
136.94040	44.7
158.99644	31.4
177.00711	33.1
243.48183	6.4
279.04779	100.0
297.08560	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	279.0478
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08791	4.6
58.29996	4.2
60.00051	4.8
60.23116	4.1
65.79882	5.1
94.74488	5.3
94.93027	37.6
96.92872	6.0
112.61134	5.0
170.99644	6.3
190.88808	5.9
202.91335	7.4
277.03561	5.5
279.04819	100.0
279.07657	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	279.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.3
69.03432	1.9
69.07063	0.3
79.93156	0.2
81.07048	1.5
83.08633	0.3
84.89937	0.2
86.09718	0.4
91.05463	1.2
95.08613	1.8
97.02889	5.0
99.08135	0.3
107.04956	1.2
109.10155	0.9
119.04942	5.4
121.10152	0.2
123.11713	0.5
123.48147	0.2
125.40559	0.2
137.13255	1.2
147.04410	100.0
149.02348	0.5
165.05478	2.2
243.06534	2.9
253.74461	0.2
261.07568	3.3
279.08569	4.0
279.17349	0.3
279.20911	0.4
279.26855	0.9
293.42590	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	279.086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35728	0.3
65.03951	0.3
65.72334	0.2
67.05499	0.3
69.03416	1.8
69.07104	0.4
81.07078	0.4
83.08613	0.3
85.87889	0.3
91.05471	1.3
95.08617	1.2
97.02897	4.6
106.20711	0.3
107.04951	0.4
109.10154	0.5
119.04932	6.3
121.10176	0.4
142.62825	0.3
147.04402	100.0
151.74422	0.3
160.35887	0.3
165.05458	2.4
232.03581	0.3
243.06363	2.2
261.07596	3.6
261.25327	0.3
279.08630	5.6
279.20944	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	279.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34183	0.4
55.05510	0.5
57.07074	1.6
67.05516	3.9
69.07067	1.7
71.08620	0.5
77.03996	0.5
79.05495	0.8
81.07084	4.3
82.07425	0.4
83.08641	0.6
85.05689	0.4
86.09737	1.4
87.10044	0.7
93.07037	1.8
95.04962	0.7
95.08609	4.4
107.08607	1.0
109.10149	2.1
117.37192	0.4
121.10150	1.0
123.11697	1.0
133.10039	0.5
134.10510	0.4
135.11670	0.4
149.02362	4.2
151.06683	0.4
151.11160	0.8
163.14607	0.4
182.31331	0.4
201.04639	6.4
219.05693	42.3
261.21857	0.7
279.09335	100.0
279.20831	1.5
279.23206	2.4
300.62100	0.5
301.41498	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	279.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.2
56.35781	0.2
57.07058	0.2
63.59465	0.2
69.10674	0.2
86.09705	2.7
120.08109	2.5
124.14249	0.2
129.06995	1.9
146.07138	0.4
147.04323	0.3
149.02347	2.4
155.04871	1.2
157.06548	0.3
163.03833	0.4
165.06990	0.4
171.04340	0.3
179.08591	0.2
186.06804	0.3
189.06926	0.6
190.07765	2.7
191.08545	19.3
202.07805	0.5
205.06374	0.4
207.08040	0.6
208.08817	1.8
218.07268	3.6
219.08034	37.2
220.08853	3.5
221.05972	0.3
223.11203	0.4
229.07664	0.4
233.09578	1.3
235.07451	1.4
236.08272	9.2
246.06717	1.6
247.07510	19.5
248.08272	3.1
249.09113	0.3
250.09872	0.4
251.10641	79.3
261.09128	3.3
262.09796	0.3
264.07779	11.8
278.09583	0.2
279.10135	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	279.1014
Annotation	Ovalitenin A
Peak:m/z	Relative Intensity
50.96062	0.3
51.97477	0.2
55.82907	0.3
59.86932	0.3
60.80415	0.3
65.61024	0.3
70.06578	0.6
71.25118	0.3
75.65226	0.3
85.05386	0.3
86.09707	14.4
96.23479	0.3
103.05447	0.4
120.08102	18.2
129.06982	2.1
132.10211	0.3
145.06500	0.5
147.04401	0.5
149.02341	4.0
155.04956	1.1
166.08591	0.5
189.07002	0.7
190.07790	2.9
191.08549	20.4
201.06850	0.4
205.06499	0.6
205.10144	0.4
207.08073	0.6
208.08784	2.2
218.07306	4.6
219.08038	41.9
220.08900	3.7
223.11249	0.5
233.09616	1.6
235.07532	1.8
236.08296	9.4
237.08951	0.4
246.06728	1.5
247.07541	20.3
248.08266	2.9
251.10646	90.2
261.09225	2.9
264.07791	12.9
273.33136	0.3
279.10141	100.0
279.16388	2.3
279.86310	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	279.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31945	0.4
55.01884	0.7
56.42128	0.5
57.07078	0.8
67.94171	0.6
69.07063	2.6
80.30161	0.5
86.09709	32.2
92.68349	0.5
93.07022	0.9
95.07025	0.5
107.49295	0.6
110.07164	0.8
120.08117	7.6
121.02884	1.4
124.06430	0.6
129.06963	1.0
145.06477	0.6
147.04359	1.1
149.02325	8.0
155.04865	0.7
161.85114	0.6
163.03990	0.6
166.08632	1.3
171.29037	0.6
177.00732	0.6
189.07097	1.4
190.07761	3.1
191.08556	20.1
195.25839	0.6
202.70282	0.6
205.06575	1.0
208.08827	2.3
218.07321	4.6
219.08037	39.5
220.08865	4.1
223.11243	0.7
236.08301	10.6
246.06839	0.8
247.07538	23.1
248.08220	2.5
251.10654	85.8
261.09174	4.2
263.10400	0.7
264.07782	14.0
279.10156	100.0
279.16803	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	279.1373
Annotation	Pantetheine
Peak:m/z	Relative Intensity
51.86505	1.2
53.77455	1.1
56.05045	17.8
69.07080	1.7
70.06601	2.3
72.04505	1.8
74.02451	38.9
74.06091	1.6
75.02715	16.6
81.07044	2.7
84.04514	10.5
84.08136	2.7
85.02880	2.1
85.04025	2.5
86.09710	78.4
98.97586	11.9
102.05550	3.2
104.05331	6.9
110.07230	1.3
116.07110	2.1
116.98593	6.5
117.05496	1.7
118.61781	1.5
119.01840	1.9
121.01553	1.7
128.98631	2.2
130.05003	36.9
132.97974	1.6
136.07521	1.8
149.02400	21.7
158.99664	7.7
163.02730	6.0
166.05338	100.0
177.00682	9.2
180.10196	6.7
187.02744	1.6
204.05081	2.1
206.99641	1.7
215.13908	27.1
219.01698	2.3
279.07605	8.3
279.10840	2.2
279.13766	53.4
279.16815	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	279.1374
Annotation	Pantetheine
Peak:m/z	Relative Intensity
55.05523	27.7
56.96576	5.0
57.07076	1.2
58.99588	6.3
62.67433	0.6
70.42123	0.6
72.08153	0.8
76.02228	4.4
76.04005	2.5
77.31081	0.6
81.07081	1.6
82.45361	0.6
83.08624	34.9
84.04505	0.9
85.02910	1.0
86.09720	1.0
86.99055	8.0
88.02200	1.3
90.13944	0.7
90.16856	0.8
93.66403	0.8
95.08575	1.0
105.07014	0.7
115.05722	0.8
116.01678	66.0
121.17395	0.9
144.01154	33.2
147.04352	1.0
149.02338	11.7
150.99146	0.8
156.08002	1.2
159.08391	8.0
162.02197	100.0
177.02240	3.5
187.42787	0.8
190.00102	0.7
195.03296	3.6
195.28149	0.6
229.09676	1.5
239.02220	1.0
262.11078	31.3
279.13623	3.9
279.16519	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	279.1373
Annotation	Pantetheine
Peak:m/z	Relative Intensity
55.05521	26.6
56.05033	0.6
56.96557	2.6
58.99599	7.2
72.08159	0.5
74.06076	0.7
76.02216	4.0
76.03998	2.5
76.70972	0.5
83.08626	37.3
86.99050	8.2
87.46125	0.5
88.02207	1.2
101.09690	0.6
103.29974	0.5
107.08628	0.5
115.05777	0.6
116.01676	60.5
120.08080	0.9
125.69808	0.5
130.04979	0.6
136.27113	0.5
138.43991	0.5
141.07352	0.6
144.01152	36.9
149.02322	2.9
159.08376	11.9
162.02194	100.0
164.82706	0.5
177.02205	2.1
179.04910	0.7
195.03224	0.7
201.40317	0.5
209.27289	0.6
244.09908	0.8
262.11066	29.7
279.13562	7.1
298.11493	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.5
55.05519	3.9
57.03440	15.7
57.07062	1.6
59.89675	1.4
64.39587	1.4
67.05507	22.5
69.07068	5.9
71.01359	1.8
79.05496	25.8
81.03425	22.3
81.07061	21.9
83.04998	2.5
87.04884	1.6
90.51604	1.4
91.05476	29.6
93.07040	25.9
95.04957	10.8
95.08586	9.3
97.06527	2.5
103.05477	6.6
105.07031	24.2
107.04937	3.8
107.08580	12.1
109.06492	1.8
109.10192	2.7
114.10275	2.8
115.05456	2.5
117.07013	65.6
119.08614	11.3
121.06467	14.3
121.10142	17.2
128.06238	1.8
129.07039	2.6
130.56418	1.4
131.08565	69.8
133.06447	1.8
133.10152	13.5
135.08125	2.3
135.11700	28.1
138.54208	1.4
140.97058	1.7
141.07005	13.0
143.08595	8.6
145.06453	5.8
145.10094	23.4
149.02312	13.4
149.09621	8.4
152.28784	1.6
154.07829	1.9
157.10101	7.0
159.08014	1.8
159.11678	100.0
161.09592	3.7
169.10130	23.4
177.12724	24.2
182.54773	1.7
185.57793	1.9
187.11188	34.5
205.12311	18.4
223.13290	2.9
261.14917	3.9
279.15936	69.0
279.19354	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	279.159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.9
55.05514	1.6
55.16460	1.1
57.03445	18.9
57.07079	1.4
65.29787	1.0
67.05511	19.9
69.07059	1.7
71.01393	1.5
71.04980	2.3
79.05499	23.7
80.19434	1.2
81.03421	22.2
81.07067	17.9
83.04982	2.2
83.08602	2.4
84.95663	1.1
91.05480	24.4
92.18690	1.1
93.03356	1.3
93.07056	24.3
95.04934	7.9
95.08597	9.2
97.06518	1.3
103.03921	1.7
103.05479	9.1
105.06422	1.9
105.07047	24.3
107.04953	8.3
107.08582	9.0
109.06522	5.5
109.10176	5.0
111.04390	1.8
115.05517	1.3
117.07024	67.1
119.04923	1.8
119.08585	13.5
121.02796	1.3
121.06522	12.3
121.10123	14.9
123.08054	1.7
128.06126	1.2
129.06978	2.4
131.04883	1.4
131.08569	74.9
133.06502	1.5
133.10139	19.0
135.08029	2.9
135.11705	27.3
135.69937	1.1
137.06003	1.7
137.09550	1.2
141.07013	14.8
143.08600	8.5
144.21649	1.1
145.06485	11.1
145.10129	27.0
149.02309	6.8
149.09593	8.7
149.13234	2.0
154.07739	2.1
155.07153	1.2
157.10088	6.7
159.07959	1.7
159.11694	100.0
161.09607	2.5
169.10127	29.3
173.13129	1.3
177.12787	21.9
187.11171	43.9
205.12267	15.0
223.13213	5.6
261.14758	5.4
279.15863	68.5
279.20746	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	279.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	7.2
59.37378	0.3
69.48476	0.4
72.08160	78.8
75.47720	0.3
77.18153	0.3
81.07071	0.4
86.09707	3.4
93.07066	0.4
103.05473	0.8
110.38734	0.4
120.08107	100.0
121.06509	2.0
131.04968	0.4
132.10181	6.4
135.04494	0.4
149.02361	2.6
152.96344	0.4
163.07555	2.6
180.10196	55.3
191.08524	0.6
193.31430	0.4
216.66451	0.4
219.08092	1.7
219.14923	2.6
220.30331	0.4
228.08797	0.4
236.08313	0.5
247.07376	0.8
251.10617	2.8
261.87466	0.4
264.07645	0.7
279.10117	5.6
279.17050	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	279.1703
Annotation	Ile Phe
Peak:m/z	Relative Intensity
51.51341	0.1
54.40637	0.2
57.05816	0.3
59.64155	0.2
60.14139	0.2
61.12648	0.2
62.92197	0.2
68.52094	0.2
69.07072	8.1
69.74687	0.2
78.78539	0.2
86.09709	100.0
90.03407	0.2
120.08109	7.5
142.38826	0.2
166.08629	5.8
188.47200	0.2
258.81891	0.2
279.17081	6.2
290.30237	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	279.1701
Annotation	H-Phe-Ile-OH
Peak:m/z	Relative Intensity
51.62578	0.1
55.05505	0.1
56.05037	0.1
57.07070	0.1
63.90181	0.1
64.24727	0.1
69.03463	0.1
69.07083	0.7
70.06587	0.1
72.92811	0.1
75.55498	0.1
84.08106	0.1
86.09704	8.9
91.05484	0.5
93.07033	0.7
95.04952	0.2
95.08575	0.1
103.05470	1.7
103.91951	0.1
108.08186	0.1
109.06524	0.1
120.08101	100.0
124.93503	0.1
129.10222	0.2
129.12703	0.2
132.10194	3.0
141.39384	0.1
149.02313	1.3
149.94717	0.1
164.95184	0.1
181.56500	0.1
188.33295	0.1
190.07898	0.2
191.08542	1.8
208.08864	0.1
218.07306	0.4
219.08041	3.5
219.10031	0.2
220.08751	0.1
233.16470	2.6
235.07384	0.1
236.08299	0.8
247.07550	1.8
248.08438	0.1
250.90596	0.1
251.10641	7.7
261.09103	0.2
264.07675	0.8
279.10178	9.0
279.17007	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	279.1702
Annotation	H-Phe-Ile-OH
Peak:m/z	Relative Intensity
51.53214	0.3
56.05043	0.3
63.59834	0.3
70.80231	0.3
71.45109	0.3
86.09707	100.0
93.07047	0.4
103.05469	1.6
120.08099	83.9
132.10202	2.3
149.02367	0.4
166.08633	9.1
233.16418	1.6
279.17020	12.0
301.56192	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	279.1702
Annotation	H-Phe-Ile-OH
Peak:m/z	Relative Intensity
69.07064	0.4
80.94035	0.3
80.95108	0.3
83.08633	0.6
86.09712	100.0
91.05477	0.4
93.07043	0.6
103.05494	0.5
105.07053	0.6
107.08579	0.4
108.48506	0.3
110.06042	3.5
120.08107	27.0
125.09593	0.3
132.10265	0.3
133.10156	0.4
134.09660	3.6
134.50410	0.3
135.10448	1.6
136.08878	0.7
148.11263	0.4
149.02374	1.3
160.11195	0.5
166.08641	8.8
176.14342	0.4
177.12740	1.4
178.12291	4.8
186.36055	0.3
218.15402	5.0
219.13824	0.7
233.16557	0.6
236.16501	0.8
262.14377	0.4
279.10031	0.5
279.17053	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	279.1703
Annotation	Ile Phe
Peak:m/z	Relative Intensity
56.05039	0.3
69.07072	6.8
86.09711	100.0
96.85284	0.2
116.48212	0.2
120.08102	7.2
149.02383	1.1
166.08635	4.5
246.71962	0.2
262.19391	0.2
279.17020	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	279.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29002	1.4
55.05513	7.0
55.72647	1.5
57.03433	3.2
57.07085	25.0
67.05513	33.7
69.07075	14.3
71.08638	4.0
76.83415	1.6
77.36066	1.4
79.05495	11.4
79.28324	1.8
81.07062	42.2
83.04963	6.6
83.08608	7.7
85.06535	1.9
86.00881	1.6
91.05476	7.5
93.07034	16.5
95.08617	46.7
105.07037	9.7
107.08609	15.3
107.57133	1.9
109.06525	9.6
109.10149	38.4
111.08120	3.2
116.70586	1.9
119.08620	13.0
121.10134	13.7
123.08064	100.0
123.08958	3.8
123.11716	10.5
125.09612	2.2
127.11172	7.7
129.05505	2.8
129.06868	1.7
129.62083	1.8
131.08611	6.0
133.10133	14.9
135.08064	3.0
135.11662	7.0
137.09631	23.1
140.19452	1.7
145.10123	9.6
147.11729	3.9
149.02376	3.2
149.09598	7.5
149.13252	2.8
159.11653	2.0
161.13263	2.2
171.11690	3.4
183.11707	3.9
185.13242	3.0
209.13271	3.2
223.14690	2.8
237.16423	2.7
243.21153	2.1
261.18497	12.7
261.21921	2.3
262.22433	3.4
270.50201	1.7
279.12515	2.1
279.19119	66.9
279.23318	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	279.2316
Annotation	gamma-Linolenic acid
Peak:m/z	Relative Intensity
50.20646	1.9
55.01885	17.0
55.05523	20.9
57.07073	8.7
57.97718	2.0
64.64306	2.0
67.05511	59.1
69.03413	2.3
69.07076	24.7
71.04996	3.6
72.91566	2.1
79.05488	15.9
81.07063	69.4
83.04996	5.2
83.08617	15.7
85.06562	10.9
91.05478	4.0
93.07043	28.0
95.08609	63.4
97.06518	9.7
97.10174	9.2
107.08601	21.6
109.10163	32.1
111.08070	2.6
119.08622	2.8
119.89221	2.0
121.09431	2.3
121.10126	19.5
123.11709	16.9
125.09631	17.9
128.36627	2.2
131.08531	3.4
133.10123	4.5
135.11700	25.2
137.13257	3.6
147.11679	3.9
149.13290	2.5
150.16940	2.0
153.12755	2.1
159.11703	4.7
161.13313	3.1
163.14769	2.4
168.41219	2.2
169.04555	2.2
181.12209	3.5
195.13954	2.8
197.15474	3.0
201.08621	2.0
202.45117	2.4
209.15482	2.8
251.23706	3.4
261.22177	11.0
279.23163	100.0
288.54608	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	279.2318
Annotation	(9Z,12Z,15Z)-Octadecatrienoic acid
Peak:m/z	Relative Intensity
54.61297	2.1
55.01886	47.3
55.05519	27.6
57.03439	3.7
57.07082	16.3
67.05183	3.5
67.05514	67.0
67.32872	2.6
69.07074	100.0
71.04990	3.5
71.08617	3.6
79.05495	26.0
81.07057	77.2
83.04983	12.0
83.08624	47.9
85.06546	4.2
85.10171	3.3
91.05486	3.1
91.29948	2.5
93.07043	55.6
95.08612	67.0
95.46201	2.4
97.06550	20.1
97.10168	12.4
105.07029	2.5
107.08598	35.9
109.10160	40.9
111.08080	6.1
111.11684	3.4
112.34646	2.4
113.38711	2.5
119.08681	3.1
121.10147	34.2
123.11716	4.5
127.11074	2.5
131.08559	3.1
135.11707	31.7
137.09589	2.9
137.13263	6.1
147.11659	3.7
149.02367	18.7
149.09608	5.4
149.13260	2.9
153.12741	53.9
163.14813	10.1
177.12708	3.0
181.15900	12.5
223.16977	3.0
229.77333	2.6
233.22589	6.0
243.21123	6.2
251.23390	2.9
261.22134	14.5
279.23166	45.3
279.26819	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	279.2318
Annotation	gamma-Linolenic acid
Peak:m/z	Relative Intensity
53.12587	2.6
55.01872	4.5
55.05518	12.0
56.92662	2.5
57.03437	5.7
57.07082	35.8
64.32491	2.8
67.05516	74.0
69.07061	16.5
71.05006	3.5
72.35040	2.7
76.01034	2.7
79.05475	10.2
79.52949	2.7
81.07065	100.0
83.08620	5.2
84.41873	3.2
85.06542	26.8
91.05475	5.4
93.07043	14.3
95.08607	96.8
97.06543	17.7
97.10188	6.8
105.07002	3.8
107.08607	6.9
109.10172	58.3
113.09631	4.2
120.44292	3.2
121.10168	12.9
123.11703	21.4
131.08604	4.6
133.10112	3.7
135.11723	14.5
137.13240	5.3
145.10153	4.0
159.11647	3.1
161.13237	13.0
163.14822	3.0
179.14340	3.5
180.43108	3.1
261.22061	5.5
279.23172	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	279.2316
Annotation	gamma-Linolenic acid
Peak:m/z	Relative Intensity
50.20646	1.9
55.01885	17.0
55.05523	20.9
57.07073	8.7
57.97718	2.0
64.64306	2.0
67.05511	59.1
69.03413	2.3
69.07076	24.7
71.04996	3.6
72.91566	2.1
79.05488	15.9
81.07063	69.4
83.04996	5.2
83.08617	15.7
85.06562	10.9
91.05478	4.0
93.07043	28.0
95.08609	63.4
97.06518	9.7
97.10174	9.2
107.08601	21.6
109.10163	32.1
111.08070	2.6
119.08622	2.8
119.89221	2.0
121.09431	2.3
121.10126	19.5
123.11709	16.9
125.09631	17.9
128.36627	2.2
131.08531	3.4
133.10123	4.5
135.11700	25.2
137.13257	3.6
147.11679	3.9
149.13290	2.5
150.16940	2.0
153.12755	2.1
159.11703	4.7
161.13313	3.1
163.14769	2.4
168.41219	2.2
169.04555	2.2
181.12209	3.5
195.13954	2.8
197.15474	3.0
201.08621	2.0
202.45117	2.4
209.15482	2.8
251.23706	3.4
261.22177	11.0
279.23163	100.0
288.54608	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	279.2318
Annotation	gamma-Linolenic acid
Peak:m/z	Relative Intensity
55.01872	14.7
55.05511	14.4
57.07083	26.8
67.05511	56.5
69.07078	48.6
71.05000	4.0
71.08604	3.6
72.99743	3.2
77.08579	2.6
79.05506	21.5
81.07058	67.3
81.95121	3.1
83.04955	5.6
83.08620	4.8
85.06522	2.7
93.07039	29.1
95.08606	62.0
97.06514	11.5
97.10167	10.7
100.79633	3.0
104.32947	2.7
107.08607	23.7
109.10175	30.3
119.08602	3.2
121.10153	28.2
123.11660	10.2
126.59867	2.8
127.11158	3.0
131.08534	4.2
135.11681	13.9
137.13255	4.1
139.11172	24.9
145.10164	4.2
147.11821	3.2
149.09634	3.3
149.13229	4.8
160.22133	2.7
163.11224	3.7
163.14790	3.0
169.36801	2.7
210.68939	2.8
224.08342	2.8
243.20982	4.1
261.22113	12.0
279.20114	3.3
279.23157	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2316
Annotation	gamma-Linolenic acid
Peak:m/z	Relative Intensity
55.05514	3.9
57.07082	30.7
59.38324	1.7
67.05511	70.8
69.07060	8.8
71.08634	33.9
79.05499	8.7
81.07061	100.0
83.08623	4.2
85.06536	2.3
91.05445	2.6
93.07040	14.3
95.08598	67.3
97.10156	2.9
100.37186	1.8
105.07057	2.8
105.70011	1.6
107.08588	8.4
109.10174	21.8
119.08550	2.4
121.10136	16.0
123.08031	4.0
123.11700	19.7
125.26170	1.7
126.75865	1.8
131.08530	7.7
133.10086	2.7
135.11696	7.3
137.13255	4.0
139.11145	1.8
141.12733	21.9
147.11639	2.9
151.14793	2.2
159.11678	3.9
163.14879	2.0
233.22621	1.9
261.22205	8.3
279.23135	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	279.2316
Annotation	gamma-Linolenic acid
Peak:m/z	Relative Intensity
50.14269	2.6
53.83611	2.9
55.01872	21.1
55.05503	18.6
57.03442	4.0
57.07080	7.3
61.52761	2.3
64.89726	2.6
67.05508	92.1
69.06749	4.1
69.07073	66.4
71.05009	3.5
71.08630	4.9
79.05502	30.0
81.07058	99.4
83.04955	14.1
83.08629	36.3
85.10187	4.6
87.18188	2.8
88.39970	3.2
91.05527	3.5
93.07042	46.1
95.08605	81.5
97.06514	17.1
97.10168	5.1
100.15466	3.1
107.08598	35.3
109.10169	42.3
111.08055	4.5
113.09607	4.1
119.08568	4.7
121.10135	22.1
123.11671	15.2
125.09571	3.4
131.08572	5.5
133.10097	6.4
135.08031	5.5
135.11694	30.0
137.09592	4.3
137.13260	7.1
145.10080	3.8
146.52895	3.2
147.11594	3.3
149.09564	6.1
149.13226	5.7
151.14793	5.3
153.12732	37.5
159.11676	6.6
163.11227	4.3
172.71521	3.6
173.13275	3.8
176.62570	3.1
191.14261	3.2
201.56871	3.2
219.21132	4.2
233.22600	5.5
243.21147	5.5
261.19724	3.3
261.22021	24.2
279.23172	100.0
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	gamma-Linolenic acid
Peak:m/z	Relative Intensity
55.01874	15.5
55.05518	19.9
56.86686	2.5
57.07086	71.0
67.05179	5.4
67.05511	93.5
69.07075	37.2
71.04975	3.0
71.08627	4.2
72.00556	2.7
79.05493	24.2
81.07066	99.4
83.04947	3.3
83.08630	35.3
91.05502	7.1
93.07043	46.9
95.08608	92.6
97.06526	4.5
97.10155	12.2
107.08594	47.6
108.74058	2.9
109.10161	69.5
111.08065	5.7
117.45028	3.0
119.08629	4.5
121.10149	38.4
123.11684	23.5
127.11205	26.8
133.10172	3.4
135.08067	4.1
135.11688	30.3
137.09641	3.8
137.13278	7.2
140.83794	3.4
147.11717	3.3
149.13268	24.7
151.14874	5.6
163.11226	5.2
163.14783	3.8
167.14284	19.5
169.12213	15.2
179.14224	4.7
181.12401	2.7
200.62787	3.2
233.22673	29.3
243.20975	13.1
261.22223	27.8
279.23190	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.0263
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49488	0.3
55.93522	0.6
56.05051	0.4
59.36240	0.4
70.95858	0.8
72.08143	1.0
72.93790	3.2
74.06065	0.8
77.42316	0.5
81.03424	0.6
84.08152	0.7
85.02882	0.8
89.51521	0.4
90.94845	0.6
91.05473	2.4
93.07037	0.7
95.20889	0.5
100.07610	2.3
103.05446	4.8
115.98022	0.7
120.08101	100.0
128.09172	0.5
131.97446	3.6
132.95834	8.4
149.00478	5.8
149.98483	0.7
150.96896	7.7
150.98212	0.7
164.99962	2.2
165.97151	0.5
166.97902	1.1
171.79596	0.5
175.02037	1.0
176.01566	30.8
180.99437	0.9
183.98126	0.6
190.03082	3.9
190.97903	0.7
192.01036	2.4
192.99435	1.1
193.04291	5.2
193.93010	0.6
207.01109	0.8
208.00615	0.7
219.00882	3.3
220.00575	2.6
234.02098	20.4
235.00494	4.8
238.01588	16.3
262.01569	3.6
262.12943	0.6
279.41650	0.4
280.02652	34.0
280.13513	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04709	3.0
53.88541	2.8
55.01863	2.7
57.03436	18.8
61.02925	14.2
69.03438	33.0
72.08154	18.4
73.02921	24.1
73.47492	3.6
74.06085	6.4
81.03411	13.4
85.02907	96.7
87.04473	3.0
92.20956	4.8
97.02905	36.8
99.04436	7.5
105.28498	3.1
109.02913	14.8
110.90957	3.3
114.42202	3.7
119.01868	5.1
127.03914	36.6
129.40067	3.3
130.03731	7.0
131.01987	3.6
138.03427	3.9
140.80136	3.0
141.09444	3.3
143.01907	7.2
145.04959	21.4
148.70253	3.6
155.01901	8.4
157.03539	7.3
173.02934	7.0
174.68945	3.6
185.02943	6.6
190.05779	13.5
199.04567	8.8
199.06311	27.3
203.03969	3.9
208.06831	7.8
216.12314	15.3
245.05092	8.3
259.06802	5.7
262.12759	19.3
271.08472	4.1
277.07666	100.0
289.07816	6.4
291.76691	3.5
295.08734	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	280.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04709	3.0
53.88541	2.8
55.01863	2.7
57.03436	18.8
61.02925	14.2
69.03438	33.0
72.08154	18.4
73.02921	24.1
73.47492	3.6
74.06085	6.4
81.03411	13.4
85.02907	96.7
87.04473	3.0
92.20956	4.8
97.02905	36.8
99.04436	7.5
105.28498	3.1
109.02913	14.8
110.90957	3.3
114.42202	3.7
119.01868	5.1
127.03914	36.6
129.40067	3.3
130.03731	7.0
131.01987	3.6
138.03427	3.9
140.80136	3.0
141.09444	3.3
143.01907	7.2
145.04959	21.4
148.70253	3.6
155.01901	8.4
157.03539	7.3
173.02934	7.0
174.68945	3.6
185.02943	6.6
190.05779	13.5
199.04567	8.8
199.06311	27.3
203.03969	3.9
208.06831	7.8
216.12314	15.3
245.05092	8.3
259.06802	5.7
262.12759	19.3
271.08472	4.1
277.07666	100.0
289.07816	6.4
291.76691	3.5
295.08734	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	280.1291
Annotation	Phe-Asn
Peak:m/z	Relative Intensity
55.05526	0.5
65.00912	0.3
67.25801	0.4
72.08157	0.5
86.09715	0.6
87.05595	15.7
91.05481	0.8
96.32104	0.3
103.05470	0.8
105.04365	0.3
115.05052	8.1
120.08106	100.0
120.89784	0.4
122.79487	0.3
125.05264	0.4
129.79755	0.4
130.05002	0.7
131.04961	1.9
132.08072	1.5
149.05974	2.6
149.07059	0.4
166.08629	45.9
175.08690	0.4
177.10228	13.3
178.08774	0.5
200.07094	2.0
205.09773	1.5
217.09749	0.4
221.09163	0.6
223.10785	7.5
235.10818	0.7
246.07634	0.7
280.12790	0.8
280.26416	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	280.1291
Annotation	Phe Asn
Peak:m/z	Relative Intensity
55.01901	0.2
55.05525	0.2
57.95649	0.2
58.12846	0.2
68.79509	0.1
69.03432	0.3
70.06586	1.1
71.06918	0.2
72.08156	0.2
73.06567	0.4
74.02440	0.4
84.04516	0.2
84.08142	0.8
85.02908	1.1
86.09695	0.3
87.05590	3.8
88.04003	0.4
93.07029	0.8
97.02919	0.4
100.07629	0.4
103.05478	2.2
116.03414	0.7
116.11190	0.2
116.98595	0.2
118.08646	0.4
120.08105	100.0
129.10246	0.4
130.06505	0.2
133.06091	20.3
147.99239	0.2
149.02390	0.3
150.02631	0.2
165.10291	0.2
205.01543	0.7
217.09784	0.4
234.99013	0.2
235.10553	0.5
244.53763	0.3
262.12177	0.2
263.10242	8.4
280.09738	0.4
280.12869	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	280.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01901	0.2
55.05525	0.2
57.95649	0.2
58.12846	0.2
68.79509	0.1
69.03432	0.3
70.06586	1.1
71.06918	0.2
72.08156	0.2
73.06567	0.4
74.02440	0.4
84.04516	0.2
84.08142	0.8
85.02908	1.1
86.09695	0.3
87.05590	3.8
88.04003	0.4
93.07029	0.8
97.02919	0.4
100.07629	0.4
103.05478	2.2
116.03414	0.7
116.11190	0.2
116.98595	0.2
118.08646	0.4
120.08105	100.0
129.10246	0.4
130.06505	0.2
133.06091	20.3
147.99239	0.2
149.02390	0.3
150.02631	0.2
165.10291	0.2
205.01543	0.7
217.09784	0.4
234.99013	0.2
235.10553	0.5
244.53763	0.3
262.12177	0.2
263.10242	8.4
280.09738	0.4
280.12869	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	280.1292
Annotation	Asn Phe
Peak:m/z	Relative Intensity
56.05029	1.2
60.09403	1.0
62.97609	1.0
70.02951	8.2
70.06602	5.2
73.41823	1.2
81.07036	1.2
81.73266	1.1
84.04507	1.9
84.08143	8.3
85.08460	1.2
86.09700	2.7
87.05595	47.6
91.05480	36.4
91.06005	2.2
93.94103	1.1
95.08571	1.3
97.06537	2.7
98.02441	1.2
100.07648	2.7
103.05451	10.0
107.04952	5.5
116.07018	1.3
120.08105	58.9
123.08070	1.6
129.10225	4.3
130.06532	11.9
131.04924	16.9
139.02245	1.5
141.09077	2.3
147.09195	1.8
149.06006	2.1
157.06506	7.3
166.08626	26.4
172.07562	14.1
175.08667	84.8
181.51584	1.2
182.06035	19.1
188.14780	2.3
189.10234	1.6
200.07068	100.0
203.08151	2.3
216.17879	5.2
217.09735	5.9
221.09187	31.6
228.06512	1.8
234.12289	7.9
245.09210	10.3
246.07591	51.3
262.11755	5.2
263.10275	28.6
280.12930	10.4
280.17950	1.6
286.63272	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	280.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05048	31.5
57.74055	2.9
58.04082	15.4
59.04890	4.0
60.05360	3.6
60.05661	88.8
69.07088	3.7
70.06604	26.3
72.04521	14.4
72.08151	23.5
74.06081	16.1
76.05133	100.0
81.07061	4.5
84.04488	3.5
84.08160	27.6
86.09719	58.7
87.05598	3.5
91.05473	4.0
93.07017	4.1
95.08582	3.6
102.05531	8.9
110.07166	8.8
112.08729	3.7
116.08229	5.8
116.92355	3.7
120.08102	20.6
127.05052	4.7
129.10251	24.5
132.10213	4.8
136.06236	6.2
145.05998	4.4
147.04405	15.0
151.80212	3.7
166.08502	5.5
177.09874	7.4
200.06970	8.1
244.08591	3.8
260.08356	3.6
263.23718	4.6
280.13046	6.9
280.16489	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	280.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05048	31.5
57.74055	2.9
58.04082	15.4
59.04890	4.0
60.05360	3.6
60.05661	88.8
69.07088	3.7
70.06604	26.3
72.04521	14.4
72.08151	23.5
74.06081	16.1
76.05133	100.0
81.07061	4.5
84.04488	3.5
84.08160	27.6
86.09719	58.7
87.05598	3.5
91.05473	4.0
93.07017	4.1
95.08582	3.6
102.05531	8.9
110.07166	8.8
112.08729	3.7
116.08229	5.8
116.92355	3.7
120.08102	20.6
127.05052	4.7
129.10251	24.5
132.10213	4.8
136.06236	6.2
145.05998	4.4
147.04405	15.0
151.80212	3.7
166.08502	5.5
177.09874	7.4
200.06970	8.1
244.08591	3.8
260.08356	3.6
263.23718	4.6
280.13046	6.9
280.16489	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	280.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23019	1.1
53.62484	1.4
55.05514	6.9
55.46331	1.2
65.37088	1.3
67.05512	3.6
69.07079	2.3
81.07051	10.1
83.08611	6.6
93.07044	7.0
94.04076	14.1
95.08614	2.5
96.05606	3.0
99.28928	1.5
109.10143	2.4
110.07208	1.5
112.05061	8.4
114.47929	1.4
121.10156	3.0
138.06641	12.1
140.04553	3.3
150.06641	28.0
151.07372	2.1
160.08717	3.3
162.06602	2.5
162.10307	2.3
167.94716	1.5
174.10297	3.6
202.13416	35.4
204.14903	1.5
212.11760	11.2
212.17531	2.1
220.06007	2.1
220.14490	15.1
230.12885	60.4
235.48805	1.8
248.13924	100.0
248.16470	3.6
263.20184	3.3
280.09772	20.1
280.16550	76.7
280.19641	3.7
280.23477	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	280.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.7
56.05037	0.5
59.98508	0.5
80.05000	2.1
81.07025	0.7
91.72053	0.5
93.07019	0.8
96.05611	0.6
107.08611	0.7
110.07162	3.2
122.07135	7.2
123.07937	3.3
124.08736	1.0
126.45625	0.6
134.07111	5.0
135.08020	1.0
136.08693	2.8
146.06042	1.0
146.07121	11.7
147.07916	1.1
150.06653	1.1
152.08202	1.0
160.08701	0.7
162.06554	0.7
174.12732	3.8
184.11183	1.4
202.12241	3.4
206.16513	2.7
216.14871	5.7
219.14975	0.8
226.13304	4.6
234.15977	13.7
236.13960	2.1
244.14442	43.3
252.16968	4.5
262.15521	23.3
280.16541	100.0
298.74454	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	280.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.4
57.07104	0.8
67.05495	2.9
68.05839	0.6
69.07068	22.7
70.63247	0.6
72.59079	0.5
79.48753	0.6
81.07069	4.6
82.06581	2.5
83.04981	17.1
83.08614	1.1
85.06532	0.9
86.35117	0.6
86.37388	0.6
93.07030	1.3
95.08621	5.1
97.10171	0.9
107.08578	1.3
109.10164	2.6
110.10545	0.7
117.30692	0.7
135.11696	0.8
136.10004	0.8
152.14342	100.0
153.12743	36.0
156.37709	0.6
157.58521	0.6
168.11751	0.6
180.07851	0.7
199.42302	0.7
212.17575	22.3
239.88638	0.7
245.22568	0.8
263.23401	0.9
280.23816	81.7
280.26300	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	280.2633
Annotation	linoleamide
Peak:m/z	Relative Intensity
53.04768	2.5
55.05322	2.5
55.05523	44.2
57.07072	18.1
58.26904	2.6
59.79352	2.5
62.43700	2.4
67.05510	62.1
69.07074	80.5
71.08622	12.4
74.46943	2.7
79.05503	12.9
79.94209	2.3
81.06617	4.4
81.07069	98.7
82.88631	2.5
83.04984	3.9
83.08630	61.5
84.08146	4.8
85.06557	4.6
86.06062	4.8
91.05460	3.8
93.07057	27.0
95.08614	94.1
97.06512	5.6
97.10181	43.8
98.09696	3.5
100.07608	18.9
105.07045	17.9
107.08596	19.3
108.46128	3.7
109.10159	69.0
111.08083	6.2
111.11756	4.5
114.09181	17.2
119.08577	17.2
119.85868	2.6
121.10145	30.4
123.11719	32.4
126.09081	2.8
127.11136	3.0
128.10707	5.5
133.10115	32.0
135.11705	20.2
137.09605	4.2
137.13240	12.3
137.23343	3.5
137.74159	2.5
138.61772	2.8
140.10712	3.2
147.11710	17.9
149.13260	15.6
151.11246	5.0
151.14862	3.7
153.12621	3.9
161.13283	25.7
163.14796	3.9
165.12744	3.7
165.16367	4.1
170.15291	3.7
175.14795	9.8
177.16299	3.5
179.17996	10.5
198.18570	3.6
245.22615	53.4
263.23703	74.3
280.23431	6.1
280.26337	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	280.2634
Annotation	linoleamide
Peak:m/z	Relative Intensity
54.23195	2.9
55.05515	32.9
57.07087	28.8
67.05508	57.7
69.07073	67.9
71.08640	16.1
79.05512	7.7
81.07056	100.0
81.07492	4.5
83.08628	53.6
84.08157	6.6
86.06083	5.8
91.05502	15.5
91.52515	2.9
93.07063	17.6
93.23610	3.3
95.08607	98.0
97.06554	6.3
97.10175	36.6
98.09705	3.8
99.08088	4.3
100.07637	17.6
105.07056	18.2
107.08596	24.0
109.10155	65.7
111.08073	5.3
111.11738	3.9
114.09191	13.3
119.08603	19.4
121.10188	28.7
123.11694	29.5
125.09661	4.8
128.10753	6.2
133.10115	33.5
135.11726	14.6
137.09579	3.4
137.13293	6.2
140.10658	3.0
147.11714	21.0
149.13263	7.0
151.11215	4.7
161.13312	7.1
163.14813	7.6
163.72519	3.0
165.16438	12.0
175.14867	6.4
179.17990	14.7
183.64413	4.3
189.16348	4.3
219.21118	3.8
245.22614	41.9
263.23682	64.6
280.23398	6.9
280.26306	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	280.2632
Annotation	linoleamide
Peak:m/z	Relative Intensity
51.39267	4.1
55.05517	23.4
56.38059	4.7
57.07077	24.9
66.44881	5.1
67.05508	41.2
69.07072	61.4
69.38503	5.7
71.08629	6.0
79.05490	8.0
81.07065	80.1
83.05005	6.6
83.05483	5.9
83.08627	52.5
93.07048	12.0
94.51379	5.7
95.08620	100.0
95.59249	5.3
97.10160	33.5
100.07626	11.5
105.07021	23.3
107.08591	12.1
109.10147	46.7
111.11694	9.4
114.09171	7.7
119.08587	8.9
121.10122	22.4
123.07909	6.5
123.11669	22.2
133.10110	13.5
137.09680	7.6
141.91997	6.3
147.11746	8.4
163.14792	9.1
179.18094	6.4
245.22644	52.6
263.23743	69.7
280.26340	82.3
304.88464	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	280.2633
Annotation	linoleamide
Peak:m/z	Relative Intensity
55.05517	43.1
55.65339	2.2
57.07083	28.8
63.04689	2.7
67.05507	63.6
69.07073	77.5
71.08632	16.5
72.08125	3.2
79.05496	18.3
81.07062	92.9
83.08621	65.7
84.08143	5.8
84.14200	2.7
85.10190	3.9
86.06058	6.4
91.05475	18.5
93.07052	20.0
95.04945	3.0
95.08605	100.0
95.60754	2.6
97.06535	13.5
97.10164	42.9
100.07603	16.7
105.07032	15.7
107.08631	19.2
109.06548	4.4
109.10165	55.9
111.08070	13.4
111.11697	3.0
113.09709	3.9
114.09177	12.3
115.86827	2.9
119.08566	18.2
121.10129	23.6
122.69425	2.8
123.08025	3.4
123.11699	32.9
125.09636	3.9
126.09167	3.8
127.11261	2.7
128.10719	11.0
133.10109	28.4
135.11691	18.9
137.09627	3.3
137.13280	5.0
139.11209	3.6
139.72043	2.6
140.10704	4.3
141.12714	3.3
147.11696	20.8
149.13271	15.3
151.11171	4.8
161.13275	18.4
163.14838	12.4
165.12714	4.3
165.16418	11.0
175.14799	13.7
179.17903	9.9
184.16934	3.5
189.16374	5.3
221.22601	2.8
245.22620	46.5
263.23666	65.3
280.26337	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	280.2634
Annotation	linoleamide
Peak:m/z	Relative Intensity
50.94740	4.2
55.05526	47.4
57.07085	30.6
67.05516	62.6
69.07076	77.0
71.08645	6.4
79.05502	9.7
81.07063	96.2
83.04993	5.4
83.08614	54.2
83.08967	3.5
84.08146	8.1
85.04729	3.4
85.06550	4.6
86.06082	5.1
91.05496	21.5
93.07049	29.0
95.04985	5.0
95.08604	100.0
97.06530	17.0
97.10165	41.3
100.07631	6.5
105.07046	19.9
107.08609	25.1
109.10162	65.0
111.08087	6.8
111.11714	8.0
114.09165	8.9
119.08584	21.6
121.10134	21.2
123.11717	31.5
125.09649	5.9
128.10725	5.1
133.10069	27.1
135.11696	20.4
137.09604	5.0
137.13234	4.5
147.11691	21.3
149.13318	4.1
151.11229	5.9
151.14862	5.2
161.13263	14.9
163.14868	5.2
175.14830	15.5
179.17990	7.7
189.16362	5.7
245.22633	60.5
263.23660	65.8
280.26364	87.5
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	linoleamide
Peak:m/z	Relative Intensity
55.05519	38.9
57.07077	17.2
59.43031	2.6
67.05505	53.3
69.07074	66.3
70.06588	4.1
71.08628	13.5
77.03912	3.4
78.00581	3.0
79.05492	6.4
80.72870	2.8
81.07063	97.2
83.05000	3.6
83.08621	56.6
84.08124	3.0
85.06539	3.3
85.10191	3.8
86.06076	7.7
91.05474	7.6
93.07036	16.0
95.08605	100.0
97.06537	7.5
97.10184	33.7
100.07619	14.9
105.07033	13.0
107.08585	24.5
109.10161	62.5
111.08084	5.5
111.11718	4.1
113.15473	3.1
114.09203	10.5
119.08588	18.7
121.10136	19.7
123.08036	4.2
123.11715	20.1
126.09107	3.9
133.10132	22.9
133.47427	3.3
135.11699	12.4
137.09625	7.4
137.13295	6.7
142.12260	3.5
147.11668	18.7
149.13260	7.7
151.11182	5.0
151.14807	5.8
161.13295	15.0
163.14799	6.1
165.16415	12.0
175.14844	4.4
179.17929	3.7
212.30270	3.0
245.22635	45.5
263.23660	59.9
280.26367	86.0
284.81940	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	280.2634
Annotation	linoleamide
Peak:m/z	Relative Intensity
53.05272	3.0
55.05516	37.6
55.44139	3.1
57.07076	9.5
67.05509	58.2
67.46412	3.5
69.02869	3.4
69.07074	58.3
71.08633	6.5
79.05485	7.0
81.07066	85.9
83.08633	46.7
84.08134	4.9
86.06061	6.1
91.05477	15.6
93.07047	9.8
95.08614	74.1
95.63275	3.8
97.06551	7.0
97.10181	35.6
99.08118	7.1
100.07607	16.6
105.07003	7.8
107.08589	9.5
109.10175	48.2
111.08099	6.8
111.11792	5.5
111.84596	4.4
114.09161	6.5
119.08529	21.2
121.10143	20.7
123.11690	27.4
127.14265	3.7
133.10144	31.6
135.11711	17.7
137.13231	4.8
147.11662	15.3
149.13300	7.5
161.13208	6.1
163.14783	6.6
175.14818	6.5
179.17987	5.8
189.16440	5.3
245.22598	41.3
263.23694	59.1
280.26349	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	280.2634
Annotation	linoleamide
Peak:m/z	Relative Intensity
53.49932	2.0
55.05518	27.1
57.07081	18.1
67.05512	42.0
69.07072	57.2
71.08615	6.3
79.05507	13.0
81.07061	58.6
83.04952	3.2
83.08625	39.7
84.08149	5.5
85.10183	3.3
86.06059	4.3
91.05497	10.4
93.07040	15.4
95.08600	62.1
97.06532	3.9
97.10187	23.7
100.07614	11.0
105.07040	6.2
107.08587	18.7
109.10155	38.5
111.08114	5.9
111.11745	3.6
114.09154	9.5
117.51499	2.7
119.08573	12.3
121.10151	16.8
123.08082	4.3
123.11707	21.8
125.09654	3.9
128.10747	3.9
133.10156	16.6
135.11705	13.6
137.09668	3.7
137.13225	10.8
147.11693	12.0
149.13333	5.4
151.11165	4.1
151.14827	4.3
153.51923	2.8
156.13802	2.7
161.13255	14.9
163.14774	4.4
165.16397	4.3
168.13745	2.6
175.14868	3.2
179.18025	2.9
184.16879	3.3
189.16379	3.6
245.22638	38.2
250.25154	2.5
263.23721	61.9
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	280.2634
Annotation	linoleamide
Peak:m/z	Relative Intensity
55.05516	44.1
55.53202	4.8
57.07083	24.8
67.05514	52.0
69.07066	72.5
71.08627	8.8
75.85284	4.2
79.05489	21.8
81.07072	91.7
83.08617	57.1
83.65801	4.0
84.60655	5.4
91.05483	18.5
92.10495	4.3
93.07053	29.0
95.08609	100.0
97.06547	8.1
97.10169	42.9
99.08099	5.1
100.07645	9.8
100.82863	5.2
105.07059	18.3
107.08593	20.8
109.10159	70.9
111.08092	6.3
114.09138	23.0
119.08579	19.3
121.10142	22.9
123.11720	24.4
126.09122	6.6
128.10710	6.9
133.10136	25.6
135.11674	10.9
137.13272	8.3
147.11679	19.6
149.13176	14.5
151.14853	7.9
161.13261	19.5
163.14845	9.0
165.16365	5.1
175.14827	6.8
179.16443	4.8
179.17911	10.7
245.22612	61.0
256.44427	5.3
263.23718	73.7
280.26309	89.4
283.33380	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	280.2633
Annotation	linoleamide
Peak:m/z	Relative Intensity
55.05520	22.0
57.07071	10.1
67.05502	16.1
68.96960	1.7
69.07068	46.2
71.08627	2.7
79.05490	4.5
81.07058	41.8
82.19186	1.9
83.08621	37.1
91.05454	4.1
93.07025	12.0
95.08602	53.0
97.06521	7.8
97.10154	24.0
99.08068	3.1
100.07621	12.1
105.07021	2.2
107.08566	8.8
109.10146	31.8
111.08086	4.5
111.11721	3.4
114.09132	8.1
119.08572	10.3
121.10130	11.3
123.11720	16.1
125.09585	2.1
128.10695	8.1
133.10123	11.1
135.11668	8.9
137.13245	9.5
142.12210	2.6
147.11671	7.8
149.13214	11.5
151.11119	2.4
151.14786	2.7
156.13766	2.8
158.39128	1.9
161.13202	9.4
163.14796	9.6
165.12724	2.3
165.16322	7.2
170.15439	2.1
175.14787	7.1
179.17915	2.2
184.16919	2.7
189.16512	3.0
198.18570	2.2
214.01759	2.1
245.22621	37.0
263.23666	56.5
280.26328	100.0
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
55.05519	20.8
57.07072	12.0
58.88882	1.7
67.05505	23.9
69.07076	42.8
71.08630	4.3
79.05522	2.9
81.07056	41.6
83.04947	1.7
83.08638	37.4
83.59495	1.7
85.40837	1.7
86.06070	2.7
87.88238	1.7
91.05463	2.3
93.07025	12.0
95.08604	52.7
97.06525	7.8
97.10172	26.2
100.07619	8.4
105.06992	2.8
107.08601	12.1
109.10159	39.9
111.08092	3.8
111.11727	12.0
114.09149	10.8
119.08583	4.1
121.10128	13.7
123.08105	2.8
123.11700	18.4
125.09623	3.1
127.97192	2.0
128.10706	10.3
133.10130	13.3
135.11707	15.8
137.09589	2.5
137.13286	4.6
142.12329	2.8
147.11656	10.4
149.13284	13.5
151.14790	3.5
153.12679	2.1
156.13873	3.0
161.13242	4.4
163.14832	7.5
165.16467	6.6
175.14816	3.0
184.16992	2.6
189.16444	3.6
241.00520	2.1
245.22629	39.0
263.23676	60.0
280.26324	100.0
297.08044	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	280.2634
Annotation	linoleamide
Peak:m/z	Relative Intensity
55.01882	3.3
55.05528	22.0
56.05058	3.5
57.07084	18.5
57.94289	2.3
63.82291	2.4
64.08150	2.4
64.72310	2.2
67.05511	44.2
69.07070	44.7
71.08632	10.9
72.05289	2.3
79.05491	6.3
81.07066	63.5
83.08630	37.2
86.06092	4.3
86.13483	2.4
93.07038	17.3
95.08617	59.1
96.44104	2.6
97.06551	5.1
97.10162	19.7
100.07642	4.3
102.66946	2.8
105.07030	10.9
107.08585	17.0
107.18434	2.7
109.10162	30.6
111.08116	9.5
111.11750	3.6
114.09164	5.9
119.08578	11.9
121.10148	14.4
123.11703	15.5
125.09628	3.5
133.10147	13.3
135.11743	5.0
137.09686	3.4
137.13269	3.5
147.11655	12.1
149.13263	3.2
151.11209	3.4
151.14894	3.5
156.13835	4.0
157.98033	2.4
161.13260	6.0
163.14949	4.0
165.16345	3.8
171.47562	2.8
175.14725	2.9
179.18059	4.5
245.22601	31.0
250.25139	2.6
263.23669	35.6
280.26337	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	280.2633
Annotation	linoleamide
Peak:m/z	Relative Intensity
51.54323	2.2
55.05523	39.2
57.07084	22.5
57.18155	2.6
60.37458	2.4
63.93044	2.5
67.05507	48.8
67.94778	2.8
69.07071	64.3
71.08618	14.6
71.42556	2.6
79.05506	15.8
81.06618	4.6
81.07063	95.2
83.04957	2.7
83.08625	56.2
84.08151	4.5
85.53192	3.0
86.06064	12.5
91.05490	16.1
93.07044	25.1
95.08609	100.0
97.06530	10.5
97.10175	42.7
98.09682	3.3
100.07623	16.4
105.07026	10.5
107.08634	21.0
109.06516	3.4
109.10162	60.9
111.08088	6.8
111.11692	4.2
114.09177	14.9
119.08556	20.3
121.10152	18.5
123.08051	4.7
123.11712	26.8
125.09624	4.7
125.13330	3.7
128.10738	11.9
133.10118	27.3
135.11694	15.5
137.09619	4.7
137.13316	5.9
139.11212	4.0
141.12685	3.3
142.12325	3.9
147.11658	24.3
149.13257	12.4
151.11194	3.9
151.14812	10.2
152.31435	2.9
161.13264	19.9
163.14804	11.2
165.12767	3.6
165.16402	6.2
170.15407	3.6
170.85396	2.8
175.14822	5.8
179.17934	11.4
198.18599	2.9
224.12856	2.9
245.22643	55.5
263.23679	62.4
278.57886	3.4
280.23404	4.9
280.26340	94.0
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	linoleamide
Peak:m/z	Relative Intensity
54.13984	2.6
55.05521	26.4
57.07076	11.0
67.05515	29.0
68.81125	2.3
69.07076	52.0
69.09850	2.1
71.08640	9.9
79.05505	5.9
81.07065	55.0
83.08627	36.7
85.10150	2.4
86.06063	2.7
91.05474	10.7
92.21139	10.8
93.07048	12.1
95.08608	59.6
97.06549	3.9
97.10175	30.3
98.09710	2.4
100.07607	13.8
100.54399	2.4
107.08610	12.5
109.10143	41.7
111.11716	10.6
114.09187	5.9
119.08587	6.1
121.10114	15.3
123.11697	18.7
125.09616	3.7
125.30771	2.6
128.10721	5.7
133.10178	8.8
135.11708	14.5
137.13290	13.4
139.11252	3.5
142.12282	5.3
147.11696	10.2
149.13281	11.5
151.14839	11.4
153.12813	3.2
156.13850	4.6
161.13316	3.8
161.77649	2.7
162.48593	2.8
163.14871	6.0
165.16389	4.7
170.15366	3.1
175.14850	4.4
184.16910	2.9
223.93082	2.5
245.22630	33.2
263.23700	64.1
280.26340	100.0
280.29453	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	281.0993
Annotation	H-MET-MET-OH
Peak:m/z	Relative Intensity
50.95490	0.3
53.56322	0.3
53.94400	0.3
55.05519	0.7
56.05039	2.4
67.05523	0.4
70.02940	1.5
70.06572	0.6
72.08140	2.3
74.02432	0.7
74.06078	2.8
79.66800	0.4
81.07050	0.6
83.08617	3.9
87.05608	0.7
87.27669	0.4
88.03980	2.8
91.05490	4.1
94.24384	0.4
101.09668	2.1
102.05541	0.8
119.03499	0.4
120.06628	5.6
120.08099	19.9
121.08457	4.6
131.04955	0.8
136.06197	100.0
149.41475	0.4
162.04114	49.3
163.94798	0.4
166.08623	7.2
167.08989	2.5
172.07607	0.5
175.08691	2.9
178.10495	0.7
182.08136	0.5
200.07082	1.9
207.07718	0.4
208.06001	0.6
221.09222	0.5
235.10776	2.5
245.09274	0.5
246.07587	1.7
253.25209	0.5
263.10391	0.5
281.09735	14.4
281.15158	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	281.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.7
55.05528	1.9
59.08185	0.4
60.44677	0.4
61.86433	0.4
67.05509	1.0
69.03436	1.7
69.07062	3.4
71.08643	0.5
79.05535	0.4
81.03431	2.0
81.07063	2.9
83.08617	2.4
84.08955	0.5
84.95895	0.4
85.02895	1.9
91.05479	3.7
93.07034	2.9
95.08603	3.3
96.08974	0.5
97.02884	8.8
97.10186	1.9
99.04454	1.0
105.07049	0.5
107.08612	0.8
109.02877	1.8
109.06517	1.1
109.10159	1.9
119.04941	100.0
127.03928	3.4
127.04725	0.5
133.10104	0.7
137.05986	2.7
147.11729	0.5
147.14316	0.5
263.09155	0.9
264.24045	0.7
281.10126	2.4
281.22470	2.2
281.26907	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03477	0.5
54.31085	0.3
55.05515	0.7
59.05001	0.3
61.46046	0.3
66.50933	0.3
71.02547	0.3
72.08147	1.5
73.49587	0.3
74.06048	0.3
74.49127	0.3
81.04542	8.9
81.07075	0.3
82.05325	2.6
83.08612	0.5
85.02908	0.5
85.84130	0.4
86.09690	0.5
90.16081	0.4
101.06034	0.6
106.04870	0.4
110.07182	0.5
119.04951	0.8
119.07121	0.4
119.37006	0.3
120.06589	0.6
120.08115	2.2
121.07632	0.3
122.07148	26.2
123.07928	100.0
136.06189	8.9
136.07568	8.6
150.06528	0.4
160.04292	0.7
162.04091	6.4
165.07722	8.4
195.30753	0.3
264.07968	0.6
281.10648	76.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1133
Annotation	H-PHE-ASP-OH
Peak:m/z	Relative Intensity
55.05523	2.6
57.05825	0.2
59.23676	0.2
61.46706	0.2
71.07173	0.2
72.08161	32.6
72.45312	0.2
74.44157	0.2
80.61350	0.2
81.90112	0.2
84.08142	0.3
84.19456	0.2
88.03993	0.2
91.05460	0.3
93.07028	0.4
101.93423	0.2
103.05493	2.2
119.04917	0.2
120.08109	100.0
123.04475	0.3
134.04483	1.0
136.07585	4.2
165.05479	2.4
182.08130	4.8
183.39912	0.2
187.31934	0.2
233.14940	0.2
263.10217	0.4
281.11334	5.8
281.14996	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	281.113
Annotation	H-PHE-ASP-OH
Peak:m/z	Relative Intensity
56.04816	0.9
56.05049	19.9
63.06192	0.8
70.02947	5.4
72.08160	1.1
74.02421	0.9
74.06076	28.9
75.25863	0.8
84.08156	1.3
87.05605	1.5
88.03997	25.4
88.05959	0.9
91.05481	40.1
102.05527	2.1
103.05505	3.5
118.06558	4.1
120.06597	8.1
120.08099	100.0
121.08434	14.5
130.06548	5.2
131.04895	4.9
136.06178	22.6
136.07610	2.0
144.08115	1.5
149.05948	1.6
155.22014	0.9
157.06456	1.7
162.04106	10.6
166.08620	41.5
167.08992	4.4
172.07588	6.1
175.08672	17.4
178.10527	4.6
182.05980	4.9
189.10335	1.3
200.07082	17.4
201.46213	1.0
217.01476	1.4
217.09738	1.2
221.09222	6.9
235.02596	2.2
235.10744	14.3
240.03194	1.7
245.09154	1.6
246.07587	9.3
260.69308	0.9
263.10211	4.3
264.08701	1.4
281.11374	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	281.1132
Annotation	H-PHE-ASP-OH
Peak:m/z	Relative Intensity
50.23279	0.2
55.05523	3.3
56.05046	0.3
59.04996	0.3
67.05551	0.2
70.06590	1.2
72.08157	36.7
79.22895	0.2
79.45414	0.2
81.07016	0.3
84.08141	1.4
85.02892	0.2
86.09685	1.1
88.03980	0.5
91.05495	0.3
93.07019	0.4
101.06040	0.3
103.05470	2.0
103.54852	0.2
105.91467	0.2
110.07214	0.2
120.08101	100.0
121.08440	1.3
123.04445	0.3
129.10272	0.8
134.04474	0.5
136.06119	0.2
136.07578	3.7
147.04474	0.3
165.05472	2.2
182.08107	5.0
194.04568	0.4
211.99193	0.2
235.10973	0.3
235.14432	0.4
239.34062	0.2
250.74001	0.2
263.10175	0.2
281.11380	5.4
281.14972	2.9
286.86243	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	281.1131
Annotation	L-Aspartyl-L-phenylalanine
Peak:m/z	Relative Intensity
52.00964	0.7
56.05046	83.3
56.06313	0.8
69.07079	0.9
72.08166	7.4
74.02438	6.8
74.06084	58.4
74.06506	2.2
75.37040	0.8
78.60225	0.9
84.04522	3.6
84.08122	1.4
86.09702	2.1
91.05484	100.0
101.06020	0.8
102.05544	28.4
116.04954	0.9
118.06545	19.6
120.06577	13.8
120.08116	5.5
129.10176	1.2
129.14569	0.8
134.05998	4.3
136.07574	9.7
143.06184	1.0
143.54729	0.9
144.04445	3.6
144.08060	4.2
146.06001	1.5
162.05566	1.0
220.09735	3.4
246.07599	7.1
264.08606	5.7
281.11371	34.6
281.14655	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	281.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.3
55.05518	2.4
57.03447	16.7
59.69527	0.9
61.02938	13.2
67.05503	1.8
69.03434	38.6
69.07056	1.8
71.04987	4.2
73.02935	1.6
79.05511	2.0
81.03423	6.6
81.07052	2.0
83.04996	16.6
85.02903	14.4
85.32015	0.9
86.34656	1.0
87.04456	2.1
91.03967	7.7
91.05479	4.0
93.07037	1.5
95.08607	3.7
96.88940	1.0
98.83752	1.0
99.04456	1.8
105.07051	2.0
107.08600	74.4
109.06493	1.0
109.10165	1.5
110.10508	1.2
111.04448	10.4
112.31963	1.0
114.59653	0.9
119.08600	8.2
129.05475	11.2
130.59637	1.0
135.08054	100.0
145.10101	1.0
147.06493	7.2
192.91144	1.1
234.92203	2.0
272.97836	1.0
281.14127	1.3
281.22980	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	281.1379
Annotation	Hymenoflorin
Peak:m/z	Relative Intensity
53.47636	0.8
55.01871	1.6
55.05513	5.2
57.03441	16.7
61.02937	14.1
62.06090	1.5
69.03053	1.6
69.03436	45.5
71.05000	2.0
73.02912	4.9
81.03421	5.2
83.04987	17.0
85.02907	18.0
87.04489	1.5
91.03959	6.7
91.05479	6.3
99.04468	2.3
105.07023	1.5
107.08596	91.7
109.06548	1.6
111.04443	10.2
117.58598	1.2
119.08591	10.6
123.42428	1.1
129.05466	10.9
135.08054	100.0
147.06512	5.9
281.13800	2.5
281.23071	2.9
281.26031	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	281.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15479	0.9
55.01889	1.9
55.05524	7.2
57.03443	15.0
57.07077	1.1
61.02932	12.6
67.05527	1.4
69.03435	45.9
69.07079	2.0
71.04989	2.4
71.08646	1.0
73.02908	2.1
76.64339	1.0
77.32318	0.9
79.05492	1.5
81.03414	4.6
81.07042	1.7
82.07416	0.9
83.04995	15.4
83.08664	1.0
85.02916	15.1
86.72437	0.9
87.04482	1.5
91.03946	6.4
91.05492	6.1
93.07072	1.4
95.08595	0.9
97.02893	1.5
99.04449	4.5
105.07044	2.0
107.08601	73.1
109.10185	1.4
111.04424	9.9
111.21997	0.9
113.86701	0.9
116.76414	1.1
117.63729	1.1
119.04946	14.0
119.08573	9.8
121.13340	1.0
129.05510	8.0
135.08057	100.0
147.06505	7.7
159.11789	1.3
169.55232	1.1
194.49471	1.0
197.31842	1.0
200.56741	1.1
221.90472	0.9
281.13840	4.7
281.22525	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	281.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42513	0.7
51.50357	0.7
54.82258	0.7
55.05516	1.8
57.07087	1.4
67.05513	2.2
69.07059	5.8
71.08620	1.5
81.07047	5.8
83.08622	2.0
93.07065	2.0
95.08617	7.1
97.10152	1.9
107.08611	1.1
108.07333	1.0
109.10141	5.0
111.11755	1.0
119.08545	1.0
121.10131	0.9
123.11729	2.0
124.54540	0.8
135.11725	1.2
147.07904	1.2
147.11717	0.9
159.07947	9.3
159.11656	1.0
177.09189	0.8
181.07631	1.1
183.09271	1.5
196.10011	1.2
197.10794	4.7
209.10757	4.0
210.08025	1.1
211.08688	9.5
211.12392	7.2
211.14470	1.0
212.09395	1.8
212.12950	3.5
221.09483	2.1
223.09720	1.4
224.10556	4.5
225.10239	24.8
226.09737	1.6
226.13370	1.2
236.11856	1.6
237.07724	3.3
237.11368	1.2
238.12111	6.0
239.11913	13.5
240.12596	20.5
241.12192	1.3
249.08749	1.5
251.09245	17.2
252.10027	18.5
253.10826	4.2
253.14450	5.3
254.12852	6.6
264.11218	3.7
265.10831	9.4
266.11612	32.3
281.13962	100.0
281.18948	3.4
281.22552	5.6
299.05838	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	281.1493
Annotation	Tyr Val
Peak:m/z	Relative Intensity
55.05519	0.5
56.05038	0.3
63.75486	0.3
70.06577	0.6
72.04484	0.3
72.08157	9.8
74.06102	0.5
84.04507	0.5
84.08141	1.9
91.05479	6.8
98.06061	0.5
101.71370	0.4
106.67138	0.3
116.07092	1.2
118.08633	2.2
119.04939	8.8
120.08101	1.9
121.06512	2.5
129.10263	0.4
130.01329	0.4
136.07582	100.0
158.56493	0.3
182.08052	0.4
235.14432	1.8
264.12366	1.9
281.14972	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	281.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68245	0.2
55.05507	0.3
56.05017	0.3
61.02913	0.3
69.20985	0.3
70.06597	0.4
70.63990	0.3
72.08163	4.7
76.74050	0.2
81.07035	0.3
84.04532	0.3
84.08145	0.6
85.02904	0.5
86.09697	1.1
88.03976	0.2
91.05486	7.8
95.08602	0.3
98.06061	0.4
98.97562	0.3
110.07163	0.4
116.07082	1.0
118.06496	0.3
118.08672	1.2
119.04935	9.1
120.08106	2.2
120.53372	0.2
121.06494	2.1
129.10271	0.4
134.97487	0.5
136.07582	100.0
136.66057	0.3
145.04941	0.3
147.04402	0.4
161.02797	0.3
187.52849	0.2
196.97495	0.4
200.04402	0.3
220.97461	0.3
222.11099	0.3
235.14357	1.8
236.12892	0.6
261.10800	0.3
264.12329	1.4
281.11646	0.4
281.14944	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	281.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.3
55.01876	4.5
55.05521	15.4
57.03448	16.3
57.07084	2.5
59.23896	1.5
61.02935	13.7
65.03954	1.7
67.05515	37.3
68.99766	1.8
69.03433	50.9
69.07064	14.1
71.01360	28.1
71.04984	4.2
71.08657	1.8
73.02896	1.8
77.53775	1.5
79.05499	28.9
81.03425	28.9
81.07063	66.6
83.04981	21.8
83.08606	7.9
85.02908	12.3
85.06538	7.1
87.04459	2.2
91.03957	8.5
91.05492	25.8
93.07038	41.6
95.01337	4.2
95.04967	17.7
95.08607	45.2
97.06527	8.8
97.10107	3.0
99.04442	3.7
99.08083	3.4
105.07030	19.6
107.04950	44.2
107.08599	100.0
109.02885	2.8
109.06506	7.9
109.10163	10.2
110.10508	2.2
111.04437	3.3
111.08065	14.1
117.07001	10.5
119.04965	2.7
119.08576	18.3
121.06487	10.0
121.10162	13.3
123.04436	11.1
123.08076	14.4
123.72584	2.0
125.06022	3.2
128.18866	1.8
129.05495	8.5
129.06998	2.7
131.08553	11.2
133.06538	4.3
133.10139	15.4
133.50783	1.8
135.08057	96.5
135.11700	35.2
137.09604	3.9
143.08575	4.5
145.06509	13.5
145.10133	7.6
147.06575	3.9
147.11664	2.8
149.09747	2.0
149.12236	2.1
149.13272	17.4
159.08031	3.2
159.11684	29.9
161.13304	3.2
163.11198	3.5
169.10088	9.2
175.14792	2.8
177.12733	36.3
179.14270	2.7
185.13246	12.3
187.11163	31.6
203.14401	9.1
205.12227	17.0
209.15402	16.7
221.15425	2.9
231.13779	11.2
249.14853	18.3
255.15987	13.4
267.15891	3.1
281.20984	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	281.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.2
55.05513	29.9
56.50208	3.0
57.03438	27.6
57.07066	3.8
67.05510	74.8
69.07064	7.6
71.04987	3.6
79.05495	90.8
81.03400	14.2
81.07059	63.0
83.04979	37.8
83.08623	6.6
91.05487	62.5
93.07043	70.5
95.04964	28.8
95.08607	52.9
97.06528	3.8
97.10153	7.0
105.07032	60.3
107.04969	13.8
107.08585	28.8
109.06523	16.3
109.10138	17.3
117.07025	8.0
119.08600	43.2
121.10168	5.7
123.08086	7.8
129.06967	22.1
131.08549	3.6
133.10130	21.8
143.08580	7.8
145.10112	14.9
147.11662	41.0
161.09583	5.1
161.13251	13.6
171.11670	34.6
189.12723	17.2
207.13753	26.2
281.17416	100.0
281.22421	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	281.1745
Annotation	3,4-Epoxy-6-methylcyclohexylmethyl-3,4-epoxy-6-methylcyclo-hexanecarboxylate
Peak:m/z	Relative Intensity
53.61718	1.8
55.01880	2.4
55.05523	32.7
57.03442	35.4
59.81754	1.6
60.12552	1.6
67.05511	84.0
69.07084	16.7
69.81956	2.0
72.19020	2.0
79.05493	99.9
81.03419	12.0
81.07056	66.1
81.07542	1.9
83.04983	36.4
83.08612	12.5
85.06499	2.2
91.05479	64.1
93.07037	72.2
95.04978	25.2
95.08611	47.8
97.06528	9.3
97.10128	7.2
105.07037	54.0
107.04942	3.0
107.08601	22.7
109.06517	7.7
109.10156	13.4
117.07017	9.5
119.08585	34.4
121.10127	7.7
123.08041	7.4
129.06982	17.5
131.08536	2.8
133.10133	12.9
143.08572	4.6
145.10124	14.6
147.08073	2.5
147.11668	45.0
147.12708	2.6
161.13243	16.3
171.11687	30.5
189.12738	16.9
207.13818	25.3
258.23047	2.2
281.17426	100.0
281.22244	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	281.2469
Annotation	Chaulmoogric acid
Peak:m/z	Relative Intensity
55.05519	51.9
57.07095	50.2
58.07425	6.0
60.58056	5.0
67.05519	49.4
67.37580	4.4
68.05838	6.9
69.07073	87.7
70.07415	10.0
71.08628	34.2
73.89967	4.5
79.05491	9.1
81.07059	99.3
82.07391	10.1
83.08631	60.5
84.08979	6.2
85.10191	13.1
91.05477	10.0
93.07059	26.4
95.08604	100.0
96.08946	24.7
97.10149	44.2
105.07039	10.2
107.08569	21.4
109.06467	7.4
109.10166	64.7
110.10500	7.3
111.08056	6.5
111.11712	5.9
119.08617	12.5
121.10138	8.6
122.10464	8.2
123.11693	20.2
133.10123	22.0
134.10464	6.3
135.08072	9.8
137.09605	6.4
137.13261	9.2
141.12704	5.9
147.11696	7.5
149.13284	7.9
153.74823	6.8
155.14297	6.7
161.13274	7.7
169.15810	6.1
178.79599	5.0
180.25107	5.6
181.16025	6.8
245.22618	27.4
246.22989	19.7
263.23676	20.2
264.24054	36.4
281.26559	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	281.2469
Annotation	Chaulmoogric acid
Peak:m/z	Relative Intensity
55.05519	51.9
57.07095	50.2
58.07425	6.0
60.58056	5.0
67.05519	49.4
67.37580	4.4
68.05838	6.9
69.07073	87.7
70.07415	10.0
71.08628	34.2
73.89967	4.5
79.05491	9.1
81.07059	99.3
82.07391	10.1
83.08631	60.5
84.08979	6.2
85.10191	13.1
91.05477	10.0
93.07059	26.4
95.08604	100.0
96.08946	24.7
97.10149	44.2
105.07039	10.2
107.08569	21.4
109.06467	7.4
109.10166	64.7
110.10500	7.3
111.08056	6.5
111.11712	5.9
119.08617	12.5
121.10138	8.6
122.10464	8.2
123.11693	20.2
133.10123	22.0
134.10464	6.3
135.08072	9.8
137.09605	6.4
137.13261	9.2
141.12704	5.9
147.11696	7.5
149.13284	7.9
153.74823	6.8
155.14297	6.7
161.13274	7.7
169.15810	6.1
178.79599	5.0
180.25107	5.6
181.16025	6.8
245.22618	27.4
246.22989	19.7
263.23676	20.2
264.24054	36.4
281.26559	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	282.0483
Annotation	64359-81-5
Peak:m/z	Relative Intensity
50.65481	1.8
77.98524	2.1
79.38223	2.0
87.34363	1.9
90.78476	2.1
121.06502	29.8
142.94861	2.4
150.07748	100.0
159.81520	2.3
180.94635	2.2
274.48621	2.5
282.04837	43.8
282.13394	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	282.1196
Annotation	1-Methyladenosine
Peak:m/z	Relative Intensity
51.15689	0.2
51.64421	0.2
53.42623	0.2
56.62604	0.2
57.03452	0.9
65.77229	0.2
69.03413	0.3
70.06593	0.5
71.83154	0.2
73.02939	0.5
85.02916	0.8
96.98974	0.2
97.02917	0.2
98.69493	0.2
115.03902	0.4
136.06190	1.1
150.07750	100.0
179.06967	0.4
188.23962	0.2
282.05280	4.2
282.11887	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	282.1197
Annotation	2'-O-Methyladenosine
Peak:m/z	Relative Intensity
55.01880	0.3
57.03431	0.3
59.05001	0.2
60.37421	0.1
61.02932	0.3
69.03437	1.9
70.90210	0.1
72.08165	0.3
75.04494	0.2
85.02917	2.1
85.06561	0.3
87.04479	0.9
89.05982	0.2
97.02893	1.4
101.06020	1.9
103.07583	0.4
115.03940	0.4
119.03544	0.2
127.03902	0.3
129.05428	0.3
136.06194	100.0
137.07924	0.8
143.27020	0.1
145.04974	0.9
147.06534	0.3
150.94975	0.1
160.19156	0.2
169.25983	0.2
199.21405	0.2
282.11966	8.0
282.15082	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	282.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91109	0.3
56.05038	3.6
56.51688	0.3
57.05375	0.8
57.05668	0.3
57.47934	0.3
59.37299	0.4
64.24873	0.3
67.05499	0.4
69.07080	0.7
70.06577	0.4
74.06085	2.8
75.06429	0.4
78.04916	0.4
82.60345	0.4
83.08598	0.5
84.35140	0.4
91.05467	2.4
92.05805	1.9
100.07626	5.5
102.05504	0.6
103.15050	0.4
111.05619	0.5
111.06836	0.6
114.81943	0.4
118.06618	0.5
120.08199	0.5
122.06017	1.9
124.07616	0.7
136.06212	1.0
136.55684	0.4
140.07088	3.1
143.08185	0.8
144.08070	2.1
148.07590	0.5
150.09068	0.5
151.57039	0.4
161.07109	0.6
161.08331	1.4
161.10736	0.9
162.09120	2.7
163.07516	2.3
164.10684	1.8
172.07553	2.0
176.10750	3.7
179.11780	0.8
187.08621	0.8
189.10228	3.9
190.07045	0.8
190.08633	11.5
191.09433	0.8
192.10220	2.8
194.11766	21.8
203.08157	2.2
204.10153	2.7
205.09766	2.7
207.11288	10.8
215.08139	2.4
222.11249	100.0
233.09183	14.0
239.13907	0.8
250.11829	6.4
265.11752	0.8
282.11612	1.1
282.14432	7.5
282.27905	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	282.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.5
57.03436	1.2
57.07074	0.6
59.05003	1.3
61.02925	2.0
63.25425	0.3
66.69064	0.3
66.76373	0.3
67.05476	0.3
67.83862	0.3
69.03434	5.0
69.07054	0.4
72.08131	0.4
73.02925	0.5
81.03421	0.7
85.02908	22.2
85.06553	2.8
87.04461	1.2
91.03963	2.1
95.04990	0.4
95.08674	0.3
97.02881	4.6
99.04416	0.8
101.06001	1.7
103.03948	0.4
103.07567	2.8
109.02877	2.3
115.03928	0.7
120.08110	0.4
127.03917	5.6
128.07501	0.3
129.05399	0.4
136.06189	100.0
137.07935	2.2
145.04962	8.0
163.06032	2.4
178.46509	0.3
196.87299	0.3
200.20387	0.4
217.10709	0.5
229.10689	0.7
247.11548	0.5
282.12155	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	282.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66510	0.8
51.77011	0.7
55.05527	0.9
57.03437	3.1
57.07084	0.9
61.02933	6.7
62.55408	0.6
62.78070	0.7
63.56738	0.8
65.29620	0.7
67.05511	1.5
69.03436	12.9
69.07066	1.6
70.06599	1.0
71.04990	3.5
73.02914	3.7
77.06507	0.8
81.03433	5.7
83.08625	1.4
85.02911	100.0
85.06553	15.3
87.04489	2.0
88.03994	0.9
91.03949	8.1
93.07024	1.6
95.08649	0.9
97.02896	22.8
97.54734	1.0
99.04447	4.7
99.74584	0.7
104.74709	0.8
109.02861	7.2
112.05112	3.4
115.03960	1.0
120.08091	5.0
121.06505	33.3
121.08417	1.8
127.03918	28.2
144.06525	0.9
145.04967	40.8
150.07794	4.5
150.09325	0.7
163.06041	11.5
176.12891	1.2
180.08670	1.0
193.03114	5.9
195.03888	1.2
229.10725	8.0
270.68088	0.9
275.87637	0.8
282.13339	13.4
282.18890	1.2
282.27841	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	282.156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35851	0.4
55.05515	0.7
56.05032	1.1
57.07078	1.3
58.04116	0.5
59.04985	0.6
59.26044	0.6
60.04524	0.7
68.58306	0.6
69.03412	1.0
69.07066	4.6
70.06602	4.7
71.08658	0.5
72.04500	1.2
72.08148	1.1
74.06073	0.9
76.05124	2.2
79.05450	0.6
81.07029	0.7
83.08613	0.7
84.04503	0.9
84.08128	2.9
85.02888	3.8
85.06521	3.1
86.09690	2.4
87.05566	0.8
88.03976	1.4
88.05914	0.8
91.05466	2.4
93.06986	0.6
95.08620	1.2
97.02893	1.0
97.06520	3.5
97.10159	0.7
102.05538	0.7
103.07580	8.4
115.08673	0.6
116.07049	0.6
120.08112	9.4
121.06457	0.9
121.08423	2.6
127.03893	0.8
129.09077	0.6
129.10208	0.6
130.06461	1.1
132.08049	0.8
136.06187	100.0
145.04927	0.7
150.07751	29.3
163.89758	0.6
166.08627	1.1
175.08601	1.2
177.09669	1.1
180.91190	0.5
201.07410	0.9
202.07658	2.5
223.09720	0.8
235.02563	0.7
236.02885	2.4
241.03424	1.2
248.08173	0.9
250.12950	25.7
265.10587	0.7
282.05228	4.2
282.11954	4.9
282.15573	43.6
282.27850	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	282.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	6.4
69.07063	8.5
79.81075	3.7
81.07080	35.2
82.30202	3.9
83.08627	8.7
91.05484	10.2
105.07040	22.1
107.08594	10.5
108.48802	4.0
119.08562	8.2
121.10136	20.1
123.11727	29.8
123.70486	3.8
130.13170	4.7
139.80309	4.8
147.11685	55.1
165.12762	28.2
198.89961	3.9
210.14944	5.0
219.13881	9.7
229.14384	17.8
236.16425	71.3
254.17508	100.0
278.61096	4.1
282.16943	33.3
282.27972	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	282.2791
Annotation	Oleamide
Peak:m/z	Relative Intensity
50.98693	0.9
53.58108	0.8
55.05521	20.4
57.07083	25.3
60.89183	1.1
65.62927	1.0
67.05506	9.3
69.07076	43.3
71.04997	1.1
71.08634	16.7
72.08153	2.6
73.86486	1.0
79.05489	1.2
80.54602	0.9
81.07054	16.4
82.08532	1.1
83.05007	1.4
83.08628	43.1
85.10168	6.0
86.06060	7.2
93.02444	1.2
93.07042	8.5
95.08601	20.1
97.06538	12.7
97.09550	1.4
97.10168	33.6
100.07628	14.8
107.08578	10.9
109.10151	11.0
111.08063	11.5
111.11729	16.0
114.09173	11.0
121.10145	10.6
123.11671	4.4
125.09611	5.5
125.13284	1.7
128.10718	6.5
135.11722	13.1
139.11162	2.1
139.49944	1.1
142.12259	2.2
142.72351	1.1
149.13229	8.4
151.14784	1.7
156.13765	2.0
163.14813	5.6
164.91399	1.2
170.15361	1.6
177.16385	2.2
191.17917	1.9
198.18486	1.5
221.60733	1.3
225.94315	1.2
247.24179	17.1
265.25247	19.1
280.66568	1.2
282.27924	100.0
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
51.82479	1.9
55.05508	15.7
57.07084	27.4
67.05504	8.3
69.07067	47.5
71.08631	14.3
71.69441	2.1
72.08138	2.6
76.45095	1.7
79.05501	3.0
81.07057	16.3
83.08623	42.1
85.06525	2.0
85.10174	4.8
86.06041	4.0
93.07030	4.2
95.08622	17.4
97.06526	12.7
97.10169	37.6
100.07610	13.4
106.60998	1.8
107.08604	4.7
107.34526	1.8
109.10161	12.3
111.08065	8.9
111.11736	10.8
114.09177	10.5
121.10143	10.9
123.11691	2.1
125.09611	4.1
125.51048	2.0
128.10742	8.7
135.11694	11.2
139.11147	2.0
149.13260	10.6
153.12738	2.2
163.14801	3.4
170.15370	2.4
177.16299	3.7
184.16934	2.0
239.77251	2.1
247.24211	23.1
265.25250	20.0
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	282.2789
Annotation	Oleamide
Peak:m/z	Relative Intensity
55.05523	21.0
55.43637	1.8
57.07082	29.0
57.22574	2.2
59.89133	1.7
62.50909	1.6
67.05503	8.1
68.93040	1.9
69.06710	2.4
69.07075	54.2
71.08648	15.6
72.08138	2.9
79.05480	4.5
81.07061	23.1
83.08624	48.0
84.80383	1.8
85.10179	9.8
86.06065	10.4
93.07037	12.4
95.08606	23.6
97.06516	14.9
97.10174	41.4
100.07625	18.6
107.08594	13.5
109.10158	10.5
111.08080	12.5
111.11755	16.4
114.09167	20.6
117.29362	2.1
121.10120	16.1
123.11656	4.4
125.09633	8.8
128.10715	4.1
135.11697	13.3
139.11177	4.4
149.13234	14.8
163.14864	3.0
163.48082	1.9
169.85852	1.9
177.16391	3.3
247.24167	19.3
265.25351	16.6
282.27924	100.0
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	26.7
57.06849	2.0
57.07086	27.5
67.05506	8.8
67.56877	2.1
69.07073	58.0
71.08627	20.6
72.08165	2.4
79.05519	2.3
81.07066	16.5
83.04978	2.9
83.08629	47.3
83.62972	1.9
85.10178	9.4
86.06087	4.8
93.07045	13.6
95.08626	20.1
97.06530	13.1
97.10178	36.8
100.07617	15.3
107.08610	13.7
109.10155	13.0
111.08086	9.1
111.11732	12.7
114.09174	15.1
121.10120	17.1
123.11768	2.7
123.85725	2.1
125.09618	4.5
128.10738	2.6
135.11694	14.2
142.12308	2.7
149.13293	8.9
153.12733	2.3
156.13824	4.0
163.14790	3.7
167.14320	3.4
217.40610	2.5
240.26801	2.6
247.24208	18.0
265.25278	27.4
267.35327	2.6
282.27917	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44894	1.4
51.55844	1.3
53.71521	1.7
60.05661	2.5
70.06610	5.7
70.55914	1.5
72.08146	1.5
74.06075	1.7
83.06088	3.0
84.04512	18.8
85.28005	1.7
86.09689	2.7
92.21275	3.0
110.07146	2.4
112.08732	2.2
120.08108	8.3
136.06197	2.6
136.07581	1.9
170.09268	2.9
175.11891	8.7
192.82498	1.9
219.00871	2.4
223.37311	1.8
244.04694	1.7
273.64151	1.8
274.14526	1.8
283.00708	100.0
283.12988	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	283.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.2
56.05051	0.6
57.03433	2.7
61.09784	0.4
61.79995	0.5
67.05505	3.3
69.07059	2.5
70.95857	0.6
72.93784	3.6
74.06115	0.6
79.05520	4.0
81.03429	0.6
81.07057	3.8
83.08633	1.3
84.08161	0.7
88.23447	0.5
89.96432	4.9
90.94832	2.7
91.05497	0.9
93.07051	6.1
95.04974	0.9
95.08597	5.8
97.02888	2.6
99.04501	0.7
107.04979	0.9
107.08604	5.2
109.10116	0.6
116.96395	1.1
118.66426	0.5
119.08543	1.3
121.10145	3.1
128.96400	3.8
131.08557	0.6
131.97441	0.7
133.10120	1.2
135.11697	12.1
143.97464	0.7
145.10135	5.5
145.98969	1.0
146.97450	1.2
149.09570	0.7
156.10153	1.1
157.98943	1.2
159.96988	0.9
163.11183	12.4
164.00165	0.9
169.99091	1.0
170.02644	1.1
172.00626	0.8
181.12390	2.0
184.00481	0.8
186.02167	2.6
188.00035	1.0
191.10652	0.6
194.02644	2.2
196.04196	6.4
198.05780	1.2
202.01683	0.6
209.11742	2.6
210.02197	0.8
214.05295	1.3
224.00026	0.6
227.12798	15.5
240.03311	0.5
242.04749	25.9
243.03157	0.8
260.05795	100.0
261.04312	2.2
265.19043	0.7
275.47577	0.6
283.07425	3.2
283.15100	10.3
283.20511	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	283.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.7
57.03433	1.5
57.07079	0.5
61.02941	0.4
65.03945	0.7
67.05500	0.5
69.03443	5.6
69.07061	0.4
73.02915	0.3
74.75648	0.4
81.03430	6.8
81.07052	0.4
83.05004	4.3
84.32081	0.3
85.02917	1.4
87.04444	0.5
91.05478	3.2
93.03386	0.5
93.07044	3.6
96.10515	0.3
99.04469	1.2
103.03948	0.5
105.92547	0.4
109.06525	1.9
111.04482	2.2
119.04944	100.0
123.11671	0.3
129.05487	1.9
133.10158	0.4
137.05956	2.7
147.06555	0.6
153.12834	0.3
178.31572	0.3
192.10675	0.3
265.10828	2.7
283.11816	5.4
283.16910	1.5
283.20428	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	283.1175
Annotation	multiplolide B
Peak:m/z	Relative Intensity
55.01862	0.2
55.05516	0.4
57.03432	0.4
61.02930	0.4
61.53312	0.1
65.03950	0.6
69.03440	3.4
71.04998	0.2
78.70857	0.2
81.03436	0.7
81.07076	0.6
81.27158	0.2
83.04985	2.1
83.08616	0.2
85.02907	1.0
87.04478	0.3
88.99512	0.2
91.05489	3.0
93.07053	1.5
95.08624	0.4
99.04458	0.2
109.06537	2.2
109.10131	0.2
111.04465	1.0
119.04948	100.0
129.05508	1.9
137.05991	1.4
141.11189	0.2
147.06541	0.4
156.98717	0.2
157.07175	0.2
235.74908	0.2
265.10754	2.2
283.11929	1.4
283.20572	0.3
283.24057	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	283.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.9
57.03438	4.1
58.87535	1.4
59.22394	1.3
67.05505	7.5
69.07047	2.0
70.07336	1.4
79.05502	13.0
81.07043	8.8
83.08608	7.2
88.68276	1.9
93.07043	26.5
95.04908	1.7
95.08599	24.9
97.02888	2.5
99.04436	2.4
105.07017	1.7
107.04955	3.3
107.08586	18.6
109.10159	2.7
117.07016	2.2
117.14519	1.8
119.08557	8.0
121.06468	3.1
121.10157	8.5
128.11571	1.8
133.10165	1.7
135.08099	1.7
135.11688	40.5
141.71664	2.2
145.10127	21.6
163.11174	46.5
173.09572	2.0
181.12196	8.1
227.12769	61.0
230.53787	1.8
283.12106	4.1
283.15213	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	283.1536
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
52.50507	1.3
55.01865	1.9
55.05502	8.2
57.03437	10.8
57.07069	1.4
60.43080	1.2
67.05496	10.0
67.83892	1.3
69.07059	7.9
71.04994	2.0
79.05493	19.3
81.03428	1.3
81.07059	20.9
83.04970	2.9
83.08622	12.2
91.05457	6.0
92.21516	1.6
92.60398	1.5
93.07041	29.6
95.04953	6.2
95.08600	40.4
97.02890	3.0
97.06525	2.7
99.04482	3.3
105.07018	2.5
107.04942	7.6
107.08591	24.5
109.10135	6.9
111.08082	2.4
113.06041	1.4
117.07009	6.9
119.08561	13.9
121.06490	5.9
121.10153	13.0
123.11687	1.7
125.05933	3.1
133.10083	2.8
135.08061	2.1
135.11696	68.7
139.07578	2.0
145.10130	38.7
163.11180	68.4
176.87056	1.3
181.12209	11.1
227.12775	100.0
265.18439	1.5
283.15256	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	283.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24602	1.2
55.05511	8.0
55.89220	1.3
57.03451	13.7
67.05512	10.5
69.07063	6.4
71.04986	1.7
73.66887	1.3
79.05492	17.8
81.07059	18.9
83.04969	5.2
83.08627	11.2
87.03316	1.0
87.14103	1.0
91.05475	7.0
93.06488	1.6
93.07045	33.3
95.04951	7.9
95.07996	2.0
95.08607	42.0
97.02896	2.4
97.06511	5.5
99.04445	4.9
100.18067	1.0
102.19480	1.2
105.07024	4.4
107.04959	6.6
107.08594	26.3
111.04443	2.2
113.06034	1.3
117.07006	7.4
119.08575	13.9
121.06470	6.9
121.10130	12.4
131.09496	1.1
133.10103	1.6
135.08012	1.9
135.10660	2.4
135.11691	60.6
138.69339	1.4
139.07536	1.7
145.09116	2.1
145.10141	37.4
153.12755	1.7
163.11168	82.7
181.12236	13.4
209.11707	1.5
227.12775	100.0
283.15381	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	283.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.9
57.03438	4.1
58.87535	1.4
59.22394	1.3
67.05505	7.5
69.07047	2.0
70.07336	1.4
79.05502	13.0
81.07043	8.8
83.08608	7.2
88.68276	1.9
93.07043	26.5
95.04908	1.7
95.08599	24.9
97.02888	2.5
99.04436	2.4
105.07017	1.7
107.04955	3.3
107.08586	18.6
109.10159	2.7
117.07016	2.2
117.14519	1.8
119.08557	8.0
121.06468	3.1
121.10157	8.5
128.11571	1.8
133.10165	1.7
135.08099	1.7
135.11688	40.5
141.71664	2.2
145.10127	21.6
163.11174	46.5
173.09572	2.0
181.12196	8.1
227.12769	61.0
230.53787	1.8
283.12106	4.1
283.15213	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	283.175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.7
57.07066	1.6
59.38201	0.6
67.05502	1.0
69.03416	0.6
69.07059	0.8
74.06081	0.7
79.05482	0.9
83.08640	1.4
84.08105	0.8
85.02930	0.9
86.09707	0.8
87.04455	3.5
89.06034	100.0
91.05485	1.1
95.04973	0.7
95.08606	0.8
97.10199	0.7
107.07059	1.2
109.98474	0.7
121.02824	0.9
132.25410	0.7
133.08609	35.1
133.82457	0.8
135.11642	0.8
136.07594	1.2
137.80714	0.8
138.09151	1.6
147.21875	0.7
147.53752	0.8
150.09213	0.9
157.45439	0.7
161.50429	0.8
176.02658	0.8
177.11215	9.3
195.12283	1.1
213.59926	0.7
227.23001	0.8
233.12895	1.5
237.02803	0.8
237.91357	0.7
239.14873	1.1
247.24304	0.8
251.13898	4.3
251.16350	0.7
283.12549	0.8
283.13184	1.1
283.17273	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	283.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.0
55.05515	7.6
62.17073	2.2
67.05508	11.2
69.03432	3.3
69.07063	13.1
71.04993	11.0
74.42745	1.9
79.05480	11.5
81.07067	36.7
83.05000	3.1
83.08604	4.2
91.05483	9.8
93.07024	29.2
93.99348	2.0
95.04958	12.7
95.08612	22.7
97.06535	4.0
99.08069	3.8
105.07038	32.2
107.08598	31.9
109.06533	8.5
109.10187	23.6
111.08130	2.3
117.06981	5.0
119.08578	29.1
121.06509	4.6
121.10146	68.5
123.08108	2.4
123.11703	2.9
129.07014	3.1
130.07782	3.4
131.08566	27.1
133.10106	28.5
135.08110	3.6
135.11690	5.0
142.07855	3.1
143.08572	16.2
145.10126	36.3
147.11652	11.8
149.13268	3.0
157.10103	16.4
159.11662	14.5
161.09605	24.9
161.13245	3.7
163.11169	3.3
163.14799	3.3
171.11667	11.0
172.87088	2.0
173.13248	66.8
175.14842	2.8
183.11653	8.2
185.13284	11.1
187.14825	11.3
191.14328	4.2
194.10941	2.1
195.11687	8.6
197.13243	3.4
199.14848	9.6
201.16414	2.9
208.12437	2.5
209.13292	17.6
213.16277	2.4
223.14842	8.9
225.16283	3.8
225.83928	2.3
227.14299	9.4
242.25026	2.8
251.16437	11.9
255.21045	9.6
265.19595	17.8
266.21954	2.2
267.81674	2.3
283.20554	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.5
56.07991	0.8
57.07079	1.8
59.49548	0.9
66.59222	0.9
67.01624	1.0
67.05495	5.8
69.07072	8.2
71.08608	0.9
75.10300	1.1
77.52020	0.9
79.05491	7.1
81.07058	12.6
83.04976	4.9
83.08620	5.8
85.06567	1.0
91.05479	6.6
93.07048	14.4
95.05028	1.4
95.08616	18.4
97.06514	1.4
97.10168	2.6
99.08078	2.2
100.62902	1.0
105.07045	10.2
107.08590	24.1
109.10152	8.4
117.07005	1.3
119.08591	13.0
121.10137	15.0
123.08072	1.1
123.11714	5.5
125.09621	12.0
129.06987	1.6
131.08609	9.2
133.10123	13.1
135.11708	6.3
137.09618	2.3
139.11133	1.3
143.08549	7.5
145.10143	13.4
147.11713	4.8
151.11182	1.9
155.08604	4.7
157.10104	12.0
159.11690	8.7
167.08553	2.4
169.10141	10.5
171.11696	10.5
173.13246	7.0
176.83206	1.1
177.95140	1.1
181.10110	6.8
182.10757	1.3
183.11685	17.1
185.13254	11.1
187.14839	5.4
194.10986	1.7
195.11691	8.3
197.13242	21.2
199.14819	18.3
201.16391	10.3
209.13303	15.9
210.14282	1.5
211.14833	2.0
213.16396	3.8
223.14857	9.9
225.16376	6.5
227.02919	1.1
227.14290	1.9
228.62044	1.1
236.15640	2.2
237.16403	5.7
239.17914	1.8
241.15991	1.8
249.18523	4.2
250.17087	1.7
252.18739	4.5
253.19473	5.6
255.21097	4.8
265.19498	18.9
266.21136	4.2
283.20578	100.0
283.23593	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	283.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77638	0.5
54.39130	0.5
55.05498	0.6
57.03428	0.5
60.05659	24.9
64.89781	0.5
65.10757	0.5
65.39252	0.5
67.05515	0.6
68.46943	0.5
69.07065	1.5
70.06603	1.0
71.04986	4.4
72.08161	38.5
79.05489	1.0
79.48037	0.6
81.07067	10.8
83.08616	0.5
84.08161	6.1
85.06552	6.2
86.06068	0.7
86.09682	2.6
89.06045	1.1
89.10782	1.0
91.05489	0.8
93.07049	10.0
95.08611	3.1
97.02933	0.7
97.07659	1.5
107.08585	6.6
114.10297	22.9
120.08113	16.1
129.10229	8.7
131.12924	18.7
135.11705	4.5
141.30026	0.6
143.11835	1.0
153.12746	1.2
159.70570	0.6
208.09731	1.0
212.17596	8.1
219.58141	0.6
241.22699	0.7
265.24014	1.2
283.12781	1.0
283.24924	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79066	1.6
55.05522	16.8
56.05845	3.7
56.17484	1.5
57.07079	23.4
58.07407	3.9
62.62347	2.0
63.99827	1.8
67.05497	10.0
68.05859	1.9
69.06708	2.3
69.07070	43.2
70.07397	17.5
70.07716	2.0
70.80103	1.6
71.08645	15.6
71.11842	1.7
72.04513	2.2
72.08161	2.5
72.08949	3.9
79.55209	2.0
81.07056	14.2
82.07378	4.7
83.08633	38.0
84.08958	18.9
85.10167	3.6
86.06046	6.8
86.10516	1.7
89.44511	1.8
93.07021	3.5
95.08609	13.9
96.08939	3.9
97.06529	10.6
97.10167	29.6
98.06870	4.1
98.10509	16.4
100.07629	9.3
101.07900	2.3
107.08569	4.3
108.08891	2.9
108.83098	1.7
109.10142	9.8
110.10519	3.6
111.08046	8.7
111.11716	9.8
112.08437	3.5
112.12030	4.1
114.09187	8.9
115.09527	2.1
120.94125	1.9
121.10149	10.8
122.10475	7.4
126.09983	3.6
135.11719	7.2
136.12061	7.9
137.04839	1.8
141.55832	1.8
149.13223	3.7
150.13596	7.9
157.14168	1.8
199.29608	2.1
248.24608	19.4
266.25638	18.7
283.28250	100.0
283.31390	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	283.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11629	1.5
55.05519	10.8
56.05856	1.5
57.07085	14.3
58.07426	2.7
62.30475	1.3
63.33941	1.3
67.05515	3.4
69.07076	20.5
70.07407	10.5
71.08637	8.6
72.08964	1.7
81.07047	3.4
82.07413	2.5
83.08629	18.4
84.08959	11.4
85.10184	3.3
86.06052	2.4
86.10525	1.6
93.07050	6.7
94.07373	3.4
95.01314	1.5
95.08601	8.8
96.08953	3.5
97.06534	6.2
97.10147	13.5
98.06850	2.1
98.10500	6.1
100.07624	2.5
107.08614	2.9
108.08915	2.1
109.10141	2.6
110.10509	2.4
111.08044	2.2
111.11716	6.4
112.12065	3.6
114.09190	2.2
121.10152	3.3
125.09693	2.3
128.10733	1.7
135.11714	3.0
136.11992	6.4
143.42117	2.0
147.79974	1.7
149.13203	2.1
150.13591	2.5
154.50861	1.8
202.47577	1.7
234.42128	1.8
248.24571	10.2
266.25632	9.9
271.55963	1.9
277.64551	2.0
283.28232	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	283.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45730	1.2
55.05523	18.6
56.05855	5.3
57.06828	1.4
57.07085	23.3
58.06594	1.6
58.07413	6.9
67.05498	7.5
68.05828	2.3
69.07074	35.3
70.07405	11.1
71.08636	10.7
71.22845	1.1
72.08147	2.5
72.08949	2.0
79.05482	2.6
81.07081	13.0
82.07402	5.5
83.08628	33.0
84.06721	1.2
84.08961	13.7
85.06566	2.0
85.10178	5.9
86.06079	3.2
86.10523	1.8
87.06419	1.6
91.05455	3.1
93.07042	9.4
95.08594	15.5
96.08942	8.8
97.06537	9.0
97.10169	22.3
97.92199	1.2
98.06874	3.0
98.10502	17.2
100.07610	8.9
101.07972	5.8
105.07028	11.7
107.08618	9.3
108.08910	1.9
109.10146	5.9
110.10490	3.1
111.08094	7.4
111.11736	8.3
112.08418	2.7
112.12048	3.3
114.09180	8.5
115.09492	2.3
119.08595	21.1
121.06509	7.0
121.10154	53.2
122.10487	8.6
123.11730	2.3
124.12020	1.5
125.09643	2.1
126.09936	2.1
128.10678	2.1
129.11061	1.6
133.10130	27.8
135.11716	9.5
136.12054	5.9
140.11511	1.7
145.10086	2.9
147.10582	2.2
147.11694	44.7
149.13347	5.7
150.13596	5.1
157.10068	2.0
160.08873	1.5
164.15210	1.7
172.64430	1.4
175.11176	17.3
178.16724	1.3
241.27338	2.7
248.24513	19.7
266.25653	20.9
283.16943	100.0
283.28232	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	284.0917
Annotation	Guanosine
Peak:m/z	Relative Intensity
53.23461	0.1
54.47086	0.1
54.49809	0.2
55.67675	0.1
56.48037	0.2
63.34264	0.2
71.94271	0.2
92.21576	0.2
108.21312	0.2
152.05663	0.3
154.32672	0.2
164.04018	0.2
200.35526	0.2
210.69193	0.2
228.44386	0.2
238.08577	1.5
239.14334	0.2
240.10129	0.3
254.08153	0.3
256.09641	0.4
269.04291	0.2
269.06924	1.6
269.09366	0.2
284.09167	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	284.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71419	1.8
55.01881	4.5
56.65089	1.7
57.03442	4.8
60.77612	1.8
61.02923	4.0
63.67893	2.2
69.03440	29.7
69.07070	1.8
71.22446	1.9
73.02925	17.1
79.48512	1.9
81.03429	19.6
85.02432	4.3
85.02911	100.0
87.00829	35.1
91.03973	2.3
97.02899	53.6
99.04482	21.7
105.01865	57.0
108.04503	4.4
109.02880	34.9
127.03921	91.8
129.01823	8.5
145.04959	66.4
147.02843	3.7
159.02879	36.6
165.16719	2.1
212.25845	2.3
213.03955	3.0
222.08041	2.2
230.06467	2.3
231.04979	33.3
231.56934	2.6
248.07574	5.5
249.05995	14.1
266.08557	2.6
284.09729	12.7
300.94266	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	284.0989
Annotation	L-Tyrosine
Peak:m/z	Relative Intensity
52.92444	0.1
53.10814	0.2
55.33467	0.1
57.03468	0.1
79.49509	0.2
85.02914	0.2
110.03519	0.8
135.03014	1.2
152.05675	100.0
153.04048	1.6
203.49709	0.2
211.64221	0.2
284.09879	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	284.1006
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30892	1.3
55.05510	1.6
56.33211	1.2
59.05017	1.4
59.60738	1.3
62.59024	1.2
65.88750	1.4
69.07072	2.3
70.06589	16.3
72.08163	3.3
73.86004	1.7
74.06070	3.3
75.89233	1.5
84.04510	64.3
84.08138	8.0
85.02956	2.3
85.03496	1.8
86.09710	100.0
93.98859	1.5
97.10600	1.6
99.43275	1.4
100.47623	1.6
101.49053	1.3
110.07149	6.2
116.07127	1.8
120.08094	3.1
129.06619	3.1
129.10242	6.6
132.10199	48.9
136.07632	2.5
137.07947	2.2
139.57846	1.5
141.10243	1.8
152.05682	57.5
160.07185	8.3
165.06566	2.9
169.09692	1.8
170.83557	2.0
197.12859	42.7
197.14667	1.6
225.12489	3.2
243.13391	50.2
249.18195	1.6
284.10110	27.9
284.13303	7.7
284.29376	7.2
292.81842	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	284.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50132	0.3
59.05012	3.7
59.44279	0.3
67.69794	0.3
69.03424	0.5
70.06591	3.3
74.06069	0.6
85.02898	2.5
87.04474	7.7
102.05537	0.6
105.05502	5.3
110.03516	0.7
119.06068	21.6
120.06628	0.5
135.03036	0.9
141.10226	1.6
147.05536	2.2
149.07114	3.4
150.05499	4.0
152.05679	100.0
153.04062	1.6
165.06592	33.1
165.65085	0.4
166.07359	0.6
169.09740	0.7
183.07654	5.2
213.12337	1.6
284.09985	0.8
284.12418	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	284.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	0.9
67.03293	0.4
70.06587	0.6
71.45059	0.4
74.02446	0.7
74.06077	0.9
80.21268	0.4
84.04522	0.4
84.35180	0.4
87.04456	0.7
97.77620	0.4
102.05540	2.8
103.05267	0.4
110.56124	0.4
118.80655	0.5
119.06066	38.8
124.46487	0.4
134.06061	0.8
135.02954	0.7
135.05547	2.0
135.07622	0.8
137.07079	0.5
142.18839	0.4
147.05528	3.4
148.03905	0.7
148.06358	1.0
149.07086	7.8
150.04378	0.5
150.05505	13.0
152.05681	100.0
153.04027	1.0
165.06589	67.1
166.07368	1.0
169.03796	0.4
183.07643	9.6
228.36992	0.5
266.11340	0.5
284.12405	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	284.124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61422	0.2
56.05034	0.4
57.03446	0.3
59.05002	1.3
63.31740	0.2
65.34324	0.2
70.06582	0.7
73.55589	0.3
74.06075	0.3
75.98737	0.2
85.02922	0.5
87.04480	2.9
93.88669	0.3
102.05542	1.5
105.05501	1.1
108.30246	0.3
110.03539	0.6
119.06062	25.7
125.92493	0.3
134.05994	0.3
135.03053	1.5
135.05542	0.6
135.07677	0.3
137.07089	0.5
138.84610	0.3
141.10216	0.4
147.05518	2.7
148.06311	1.1
149.07108	4.5
150.05502	7.3
152.05676	100.0
153.04059	1.4
165.06584	42.0
166.07321	0.5
169.09796	0.4
171.37601	0.3
183.07628	5.7
183.09084	0.4
213.12318	0.4
239.93492	0.3
284.12387	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	284.134
Annotation	Ala-Gly-His
Peak:m/z	Relative Intensity
51.89630	0.3
52.60981	0.3
55.01897	0.4
56.05040	0.3
56.92035	0.3
57.03444	0.5
59.05007	18.7
61.02935	1.5
69.03430	1.4
70.06223	0.6
70.06597	9.9
70.54831	0.4
73.02908	0.5
74.06094	0.6
74.78786	0.3
81.03419	0.6
84.08179	0.4
85.02909	9.7
87.04473	36.0
91.03925	0.4
97.02884	2.0
102.05562	0.4
105.05515	23.6
109.02891	0.6
110.07149	0.6
114.56986	0.3
116.07073	0.9
119.06070	18.0
127.03889	1.7
135.03030	0.7
135.05577	0.8
136.06180	0.6
141.10226	4.5
145.04988	1.4
147.05574	1.5
148.04001	0.4
148.06293	0.5
149.07112	3.0
150.05489	3.1
152.05681	100.0
153.04066	1.9
165.06598	25.4
166.07407	0.6
169.09727	5.0
183.07634	4.4
213.12328	2.4
214.21996	0.4
284.06595	3.1
284.09799	0.5
284.12396	13.6
284.15656	1.1
284.29498	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	284.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78244	1.0
60.05656	40.7
67.05501	1.3
69.07059	1.5
81.07066	2.7
83.08593	1.8
84.08142	4.4
84.85323	1.1
86.07198	22.9
86.09706	11.6
88.54480	1.0
96.05622	26.3
97.06459	1.1
97.10139	1.8
98.03540	42.9
103.53549	1.1
107.08557	1.5
109.02882	1.4
110.07127	1.0
114.06664	3.8
114.09131	1.7
118.80522	1.1
124.05049	2.0
125.09625	5.2
133.10110	2.5
143.11780	2.5
152.05690	4.1
161.09537	1.5
161.81625	1.1
164.11476	1.3
171.11293	1.3
178.12158	1.9
188.11885	2.2
189.09052	1.4
189.11284	2.7
196.13304	5.8
197.01207	1.2
206.12909	4.8
207.10278	1.5
207.31744	1.1
216.11263	1.5
234.12386	5.8
238.15483	12.9
248.14085	2.3
252.13425	10.1
252.78349	1.2
266.14975	100.0
284.12756	2.4
284.15991	64.7
284.18475	2.7
302.07980	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	284.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	3.0
56.77894	1.7
57.07077	2.0
58.39985	1.7
60.05659	2.0
60.26003	1.6
67.05499	2.9
69.07067	3.2
70.06587	13.7
72.08151	3.7
74.06072	3.0
81.07069	3.4
82.06583	2.6
83.08637	3.7
84.04506	53.2
84.08134	4.3
84.14697	1.7
85.02894	2.7
86.09711	71.3
91.05485	4.8
93.07026	8.1
93.29832	2.1
94.04066	3.9
95.08585	2.8
96.04486	30.3
98.06067	2.4
98.95199	1.8
105.07073	3.6
107.08588	4.1
108.04442	2.7
109.10154	2.5
110.07176	13.0
111.05581	8.3
112.05064	2.6
114.06645	2.1
119.08528	2.4
120.08069	2.8
122.06041	4.8
122.35842	2.1
124.05072	2.3
124.07490	2.7
125.07956	3.2
132.10207	42.4
133.10135	11.8
135.11670	2.4
136.07542	3.9
138.06613	12.2
143.08615	2.7
149.38248	2.0
150.06641	12.0
150.12764	11.6
152.05673	90.8
160.08673	2.4
160.11150	5.0
161.09657	7.6
178.12239	29.1
179.10649	3.8
188.10663	10.7
189.09140	4.2
196.13332	24.3
197.12833	25.9
202.13391	14.4
206.11736	38.3
212.11880	4.8
214.14381	2.9
220.14395	15.1
221.12917	2.2
222.12462	3.4
224.12779	70.4
227.11108	4.1
230.12871	35.4
238.15605	7.8
242.13893	8.1
243.13383	43.2
248.13930	100.0
256.16519	3.1
266.14984	90.3
267.09787	2.7
267.13345	13.1
284.10306	4.1
284.13272	7.4
284.16058	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	284.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09363	2.5
51.30490	2.8
55.05521	7.0
55.15044	3.2
57.07085	100.0
63.25761	3.1
67.05503	22.2
69.07063	23.3
70.10059	3.3
71.08659	3.9
79.05509	8.4
81.07061	21.8
83.08634	18.9
95.08623	24.8
97.10178	18.9
107.08617	15.9
109.10183	22.4
111.11753	6.8
121.10151	4.4
123.11697	3.3
124.46873	3.2
127.11202	28.2
133.10182	4.0
149.13342	5.4
152.89174	3.4
207.33701	3.5
231.21141	7.8
249.22046	5.0
266.24844	25.7
284.25836	61.5
284.29181	7.9
284.33179	20.7
285.24292	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	284.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	17.3
57.07080	90.2
58.32924	2.0
58.39305	1.5
59.05007	3.3
61.51653	2.1
63.21337	1.9
63.74360	2.2
67.05506	36.7
69.07074	31.7
71.08633	100.0
79.05505	3.6
81.07063	79.9
83.08626	38.6
85.06553	4.4
91.05470	5.0
93.07059	17.6
95.08607	50.2
97.10172	34.6
104.26682	2.1
105.07041	2.7
107.08561	3.7
109.10176	37.9
111.08089	10.7
111.11718	11.2
119.08585	14.6
121.10141	3.8
123.11691	43.3
125.13212	3.4
127.07511	2.9
133.10124	13.1
135.11697	5.0
137.09650	2.8
137.13272	8.6
141.12750	66.2
147.11636	3.3
149.13298	4.4
151.11183	2.7
151.14886	3.6
161.13223	9.1
165.12740	3.2
169.15848	3.4
175.14854	3.9
179.14351	2.8
207.21149	2.4
221.22633	12.1
231.21053	31.3
239.23714	12.7
249.22125	39.4
267.23254	21.5
284.25900	56.1
284.28937	4.6
284.33090	10.8
285.24219	75.6
293.82257	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	284.3311
Annotation	CETRIMONIUM
Peak:m/z	Relative Intensity
55.91356	0.3
57.07079	1.8
58.06340	0.2
58.06607	0.5
60.08172	9.1
65.36488	0.2
67.53256	0.3
67.99682	0.2
75.02550	0.3
85.10190	0.6
99.95193	0.3
108.25172	0.3
120.27781	0.3
179.86989	0.3
229.56975	0.3
241.21869	0.3
284.33127	100.0
300.45969	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	285.0755
Annotation	Biochanin A
Peak:m/z	Relative Intensity
50.86187	0.1
51.01981	0.2
51.08516	0.2
55.69000	0.1
63.57905	0.2
73.55990	0.2
85.62587	0.2
134.03610	1.6
137.02350	6.5
169.06445	0.5
181.06505	0.8
183.04460	0.5
184.14450	1.5
197.05998	1.4
213.05515	1.7
214.06224	2.6
225.05473	10.4
225.08931	0.3
229.08589	2.5
242.05743	1.3
253.02338	0.4
253.04970	11.1
257.08102	0.9
269.04440	1.7
270.05228	37.0
285.07574	100.0
285.19116	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	285.0756
Annotation	Glycitein
Peak:m/z	Relative Intensity
55.05500	0.3
56.05040	0.4
56.08823	0.2
67.05497	0.2
69.04543	0.9
72.04528	0.3
74.06055	0.2
79.05492	0.2
81.03424	2.4
81.07045	0.3
83.08617	0.4
84.08146	1.2
91.05467	0.3
92.86045	0.2
95.04961	0.9
96.05593	1.6
98.09666	0.2
102.05552	0.3
105.07044	0.2
105.99138	0.2
111.08069	0.2
114.34319	0.2
116.10692	0.3
120.52821	0.2
126.12848	0.2
127.12376	0.2
134.03583	1.6
137.02341	5.9
147.11670	0.3
150.05518	0.3
154.02357	0.2
166.13365	0.2
169.06467	0.3
175.11203	0.3
181.06508	0.3
183.04422	0.2
184.10834	0.3
184.14476	2.6
193.12270	1.7
197.05965	1.1
213.05409	1.6
214.06226	1.8
225.05449	9.1
229.08514	1.7
242.05775	0.4
250.81987	0.2
253.04947	10.6
257.07880	0.7
267.15866	0.4
268.16354	0.3
269.04431	1.2
270.05225	30.8
285.07568	100.0
285.19208	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	285.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40742	0.1
65.21317	0.1
81.07065	0.3
83.08594	0.2
85.06483	0.1
91.05477	0.2
105.07016	0.1
105.56923	0.1
107.08556	0.1
109.10138	0.2
119.04933	0.3
121.02878	0.2
121.10170	0.1
124.01521	0.1
127.92536	0.1
130.20641	0.1
131.08572	0.2
144.92516	0.1
145.02893	0.3
145.10110	0.1
147.11693	0.2
167.03380	1.4
171.11696	0.1
200.15672	0.1
219.50432	0.1
225.05164	0.1
242.05730	2.2
270.05231	4.6
285.07571	100.0
285.22067	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	285.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
63.64497	0.3
68.99800	0.4
69.07086	0.4
70.09997	0.4
71.35441	0.4
75.26244	0.4
81.03412	2.1
81.07059	0.5
81.54854	0.3
83.08629	0.7
84.08790	0.4
93.07047	0.4
96.58885	0.4
128.29948	0.4
128.99489	0.4
137.02342	5.3
142.61697	0.4
146.08046	0.4
183.04434	0.5
193.12184	0.5
197.06015	1.7
199.81966	0.5
213.05455	1.7
214.06204	1.7
221.06023	0.7
225.05505	7.5
225.09052	1.0
229.08653	2.1
253.04959	10.2
253.08621	1.0
257.08057	0.7
269.04504	2.2
270.05222	31.3
279.23853	0.4
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	285.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02639	0.1
67.05486	0.3
69.07028	0.2
73.05540	0.2
81.03429	0.2
81.07061	0.3
93.07027	0.3
93.94194	0.2
105.98241	0.2
112.59429	0.2
117.22168	0.2
133.06520	0.7
147.11754	0.2
151.90631	0.2
153.01871	0.7
211.13168	0.2
242.05693	5.2
270.05209	10.9
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	285.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
73.98232	0.2
81.07051	0.8
82.93548	0.2
84.58881	0.2
88.71094	0.2
91.05431	0.2
99.27752	0.2
103.33528	0.2
105.07026	0.2
119.08578	0.5
123.11739	0.3
129.04352	0.2
133.06517	1.2
135.04446	0.5
147.11665	0.5
153.01831	2.8
159.04390	1.0
163.68652	0.2
165.12790	0.3
171.02820	0.4
217.08597	0.3
242.05704	4.3
266.62079	0.2
270.05243	9.3
276.88049	0.2
285.07574	100.0
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	Biochanin_A
Peak:m/z	Relative Intensity
52.72977	0.3
66.44257	0.3
98.04894	0.4
113.24195	0.4
134.03665	1.0
136.48201	0.4
137.02357	6.4
157.06400	0.4
158.99850	0.4
183.04485	0.5
183.96146	0.5
197.06000	0.8
213.05399	1.7
214.06195	3.3
225.05457	11.5
229.08641	2.2
242.05833	0.9
253.04941	11.9
257.08032	0.6
269.04437	1.9
270.02240	0.9
270.05215	34.4
285.07565	100.0
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	Unknow
Peak:m/z	Relative Intensity
51.49192	0.2
52.40284	0.3
59.46814	0.2
62.96103	0.2
67.05511	0.5
69.07043	0.4
69.81693	0.3
81.03397	0.3
93.07047	0.3
133.06465	1.2
135.04399	0.5
147.11719	0.4
153.01839	3.0
159.04408	0.6
171.02898	1.5
193.12291	0.4
195.47626	0.3
211.13275	0.4
217.08748	0.3
239.06998	0.3
242.05681	3.8
253.08586	0.6
267.21011	0.6
270.05234	9.3
285.07568	100.0
285.22043	2.5
285.25314	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	285.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03118	0.1
53.87851	0.1
73.28618	0.1
83.22731	0.1
96.54336	0.1
100.09919	0.1
129.84978	0.1
133.06456	0.7
135.04416	0.5
153.01825	1.4
159.04436	0.2
171.02876	0.2
190.42184	0.1
216.65591	0.1
217.08502	0.1
242.05693	4.5
256.18616	0.1
258.57870	0.1
270.05206	9.2
285.07556	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.4
57.03445	1.6
67.05502	1.5
69.07059	1.4
71.04977	0.3
78.75166	0.2
79.05490	1.0
81.07060	6.5
83.04986	0.4
83.08620	0.8
88.81312	0.2
91.05460	1.5
93.07037	0.9
94.11465	0.2
95.08586	1.2
97.06505	0.3
105.07046	2.5
107.08601	0.8
109.06500	0.4
119.08573	2.1
121.10152	1.9
123.11726	2.2
124.01530	0.2
127.07581	0.2
145.02962	0.3
147.11674	5.7
165.12750	2.5
167.03368	1.3
175.11133	0.3
209.19244	0.2
229.14429	0.4
242.05756	3.1
245.54422	0.2
270.05197	4.3
285.07559	100.0
285.16748	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	285.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93104	0.6
58.17574	0.5
68.00591	0.5
68.02538	0.6
81.03408	2.6
83.04979	2.2
85.05167	2.0
86.09699	0.8
94.02951	0.6
99.04458	0.9
102.05544	0.6
108.05620	0.9
113.06004	27.2
117.05518	0.8
126.05516	0.9
127.03935	0.8
133.05107	0.9
141.05470	100.0
157.76416	0.6
161.04677	0.6
169.04950	50.3
169.07155	1.3
169.29161	0.6
173.08093	59.9
191.89877	0.7
193.07195	4.6
201.07579	51.3
221.06696	8.2
225.09732	0.7
244.44579	0.5
253.09285	9.5
285.11942	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	285.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31800	0.6
52.93602	0.5
53.98235	0.6
56.05037	1.6
56.45741	0.6
56.68325	0.6
56.92412	0.6
59.05517	0.7
69.07104	0.8
81.03400	1.6
81.07066	1.3
91.05478	1.0
116.08246	0.9
137.02345	1.8
208.65341	0.9
211.57950	0.8
225.05406	0.9
229.09250	3.4
247.10222	2.6
249.14297	1.4
253.04904	1.3
253.08591	1.8
267.15543	1.6
270.05283	7.9
285.07816	26.2
285.13077	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05046	100.0
60.05654	2.0
67.05502	1.2
68.76244	1.0
69.03382	0.8
69.04559	1.6
72.04522	6.7
72.49362	0.8
74.02444	5.9
74.06075	6.3
80.11242	0.8
81.03416	14.6
81.07043	1.7
83.08619	4.5
84.04504	2.2
84.08156	1.1
86.09737	1.7
86.36103	0.7
87.11756	0.9
91.05482	1.4
92.00111	0.8
95.04964	4.8
96.05624	5.4
98.03505	1.5
98.09712	7.7
99.84765	0.8
102.05563	19.9
107.04948	1.3
111.08070	1.9
114.03056	1.3
116.08264	0.9
118.05090	1.0
119.08578	1.8
122.88432	0.9
124.05082	1.0
143.04543	1.0
147.11636	1.1
149.09540	1.0
149.54532	1.0
156.11259	1.1
157.10141	1.4
175.11171	1.7
184.10796	6.6
184.14456	4.6
193.12259	8.3
194.12886	1.0
212.06693	1.2
256.11871	1.0
267.15390	10.2
268.12885	22.0
285.07431	1.3
285.15714	27.8
285.19177	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	285.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52705	1.0
67.05496	1.9
69.07074	1.5
76.03413	1.1
81.07037	6.0
91.05428	0.9
95.08580	1.7
96.08120	4.8
105.07008	1.8
105.51392	1.1
107.49014	1.0
112.22037	1.1
140.16339	1.0
147.11655	5.6
148.07538	1.8
165.12755	1.4
174.09119	1.6
196.07565	5.9
197.12004	4.4
209.12042	9.2
210.09157	15.5
211.09981	1.3
212.09326	2.1
213.10234	21.5
214.10934	1.6
225.11479	100.0
226.12381	1.1
227.11789	60.9
240.11516	2.1
240.13811	49.4
241.09729	2.3
241.13345	8.6
242.14128	73.2
242.16612	2.7
253.10899	2.4
253.13315	2.6
255.11220	6.7
257.16467	55.4
268.13245	4.6
270.13651	13.1
285.15964	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	285.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05574	0.4
56.61051	0.3
57.03484	0.4
64.10741	0.4
66.71157	0.4
67.05572	0.7
69.07111	0.8
72.93678	0.4
81.07064	4.0
91.05547	0.7
93.07074	0.6
95.08653	0.5
103.57146	0.4
105.07134	1.9
119.08566	0.7
123.11787	1.7
147.11676	3.0
165.12773	1.0
175.11221	0.4
196.09984	0.9
210.11475	2.0
225.13844	5.6
227.11787	29.5
242.14110	1.0
253.13315	0.5
255.11267	100.0
257.16434	3.0
270.13660	2.1
285.15961	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	285.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06865	1.1
55.05518	13.2
57.03447	28.1
57.07076	1.7
58.07405	1.6
59.41667	1.2
60.59430	1.2
61.58236	1.2
66.31898	1.3
67.05514	31.9
69.03427	1.6
69.07074	25.6
71.04991	6.2
79.05492	12.2
81.07065	99.6
82.07401	1.6
83.04967	7.2
83.08620	18.0
85.06528	8.4
87.93865	1.2
91.05038	1.3
91.05489	22.0
93.07053	11.9
95.04984	1.6
95.08607	28.5
97.06531	9.4
97.10149	2.4
99.08067	5.1
101.05990	2.1
105.07034	44.0
107.08591	20.4
109.06515	7.1
109.10168	1.7
113.05983	2.4
119.08591	36.4
121.10146	27.1
123.08065	6.0
123.11701	46.5
125.04781	1.3
127.07490	6.0
133.10095	3.0
147.11691	91.4
157.10101	8.2
165.12747	39.2
169.82736	1.3
175.11145	6.3
183.13770	6.0
186.05661	1.2
193.12244	1.7
211.99304	1.5
229.14349	10.3
233.98169	1.2
267.15869	8.7
268.26163	2.0
285.07632	1.7
285.16919	100.0
285.28879	13.8
285.33490	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	285.1693
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
55.01869	1.8
55.05510	9.8
57.03448	19.6
67.05508	24.0
69.07063	19.8
71.04987	3.2
79.05466	10.9
81.07057	82.9
83.04972	8.0
83.08608	9.9
85.06533	3.6
91.05470	18.3
91.98177	1.4
93.07027	10.1
95.08600	23.4
97.06516	6.6
99.08100	3.1
101.36757	1.3
105.07037	34.8
106.58673	1.5
107.08601	12.3
109.06528	5.5
109.10200	1.8
113.05993	1.8
119.08578	26.2
121.10133	18.6
123.08077	2.2
123.11692	32.4
127.07518	2.8
128.48300	1.5
133.10118	3.0
137.13286	3.4
147.11682	89.2
157.10085	2.5
165.12749	34.6
175.11192	3.6
183.13797	2.0
193.12256	2.5
229.14378	6.1
239.11761	2.6
267.15872	2.4
285.07602	29.6
285.16956	100.0
295.58923	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	285.1695
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
55.05518	7.3
57.03452	15.6
62.48829	1.6
67.05503	16.4
69.03435	4.0
69.07059	7.6
79.05077	1.4
79.05492	15.0
81.03426	100.0
81.07049	20.9
83.04976	10.2
83.08626	33.3
85.02916	42.4
91.05490	18.8
93.07043	11.1
95.04964	28.9
95.08615	3.3
97.06519	3.8
99.27862	1.6
105.07032	11.5
107.04963	8.5
107.08595	8.0
109.10162	2.7
111.04460	2.5
111.08079	10.1
113.06031	4.2
119.08603	20.2
121.10129	10.9
123.08041	1.9
124.54664	1.6
125.05958	1.7
129.07008	11.8
131.08589	9.7
133.10130	8.0
147.08095	3.6
147.11674	23.9
149.09621	7.1
157.10114	17.0
165.12746	3.7
175.11160	21.1
193.12242	74.2
211.13289	40.0
267.15860	16.1
285.07523	11.8
285.16940	71.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	8.4
57.03233	1.3
57.03447	19.7
64.14688	1.4
67.05511	28.0
69.07073	21.7
70.07391	1.3
71.08620	1.5
72.04501	1.3
73.46839	1.5
79.05495	15.4
81.07065	77.2
83.04974	3.2
83.08627	11.5
85.06528	6.9
91.05480	18.5
92.05833	1.7
92.21630	1.7
93.07034	10.4
95.08611	19.1
97.06524	9.7
99.08078	2.3
105.07040	37.9
107.08605	12.7
109.06499	9.1
109.10150	1.8
119.08581	28.6
121.10130	25.6
123.08061	7.9
123.11710	37.1
124.89098	1.9
127.07483	2.0
133.10132	3.1
137.09605	2.3
137.13268	2.7
147.11684	79.9
149.16455	1.7
155.98048	1.6
157.10123	3.8
161.09564	1.8
165.12762	37.1
175.11195	2.3
183.13786	2.5
184.62253	1.6
189.01723	1.7
193.12392	1.6
229.14377	9.0
262.87900	1.7
267.15924	6.9
269.73593	1.6
285.16946	100.0
285.29828	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	285.1693
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
50.27829	1.1
55.05510	11.0
57.03441	24.0
57.21268	1.3
57.33291	1.3
58.08689	1.2
67.05513	28.6
69.07069	14.8
71.04977	5.3
72.04526	1.6
76.68816	1.5
79.05504	13.2
81.03434	1.9
81.07065	91.1
81.07550	3.1
83.04974	9.9
83.08624	12.1
85.06532	8.1
87.07325	1.4
91.05482	18.4
93.07046	13.0
95.04983	2.7
95.08614	21.0
97.06516	9.0
97.10165	1.6
99.08073	3.3
105.07040	42.7
107.08617	11.9
109.06507	3.3
109.10188	1.8
113.05988	1.5
119.08565	30.0
121.10133	24.8
123.08092	5.7
123.11708	43.3
127.07540	2.8
129.06967	1.7
133.10133	3.5
147.11693	80.7
149.09674	2.1
157.10124	6.0
165.12737	40.9
175.11177	6.0
183.13808	2.7
193.12247	5.7
210.82788	1.8
221.05779	1.5
225.09071	5.6
229.14288	10.4
253.08607	5.6
267.15921	3.5
282.62332	1.6
285.07568	15.6
285.10556	2.7
285.16940	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1693
Annotation	CHEBI:69050
Peak:m/z	Relative Intensity
53.03946	1.3
55.05508	4.3
57.03447	5.4
59.41644	0.8
60.05645	1.1
64.98155	0.9
66.92320	0.9
67.05505	9.1
69.03457	1.3
69.07081	2.3
71.04992	2.2
72.04494	1.6
79.05500	10.5
81.03429	100.0
81.07064	14.0
83.04987	3.8
83.08634	24.0
85.02897	1.8
85.06523	1.6
87.83298	0.9
88.07649	2.5
91.05489	12.1
93.07043	6.8
95.04399	2.0
95.04972	32.3
95.08602	5.0
97.02904	1.2
97.06541	1.6
97.10165	2.5
105.07046	12.6
106.79417	1.0
107.04964	6.2
107.08607	6.2
109.02893	2.1
109.06525	2.0
109.10171	1.1
111.04456	1.8
111.08079	7.3
113.06026	1.2
119.08582	12.5
121.06503	2.1
121.10174	7.4
125.09573	1.4
129.07036	8.8
131.08542	9.6
133.06493	4.7
133.10156	7.8
145.10168	1.3
147.08136	1.9
147.11702	11.4
149.09605	5.4
157.10168	11.5
163.11198	1.2
165.12842	1.6
175.11150	12.0
184.07069	1.4
193.12260	52.9
193.14032	1.7
211.13286	5.4
225.09161	1.3
253.08531	4.4
267.15897	19.5
268.19232	1.7
285.07608	9.1
285.11240	1.7
285.16968	6.5
285.19876	5.3
285.25528	2.4
295.32004	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	285.1694
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
55.01875	1.8
55.05525	9.6
57.03445	16.9
58.20002	1.1
62.12187	1.1
67.05513	19.0
69.03413	3.0
69.07072	11.1
71.05004	2.1
75.04455	1.6
79.05495	16.3
81.03424	100.0
81.07062	54.0
83.04993	9.7
83.08624	26.7
85.02915	6.7
85.06551	1.9
91.05478	21.1
93.07040	13.9
95.04962	28.3
95.08611	18.1
97.02893	2.4
97.06517	6.5
97.10159	3.2
105.07047	26.6
107.04937	5.9
107.08601	9.7
109.06509	5.9
109.10133	2.5
111.04427	1.8
111.08092	8.3
119.08582	27.0
121.10156	19.1
123.08058	5.9
123.11708	19.5
125.09653	1.8
127.07549	2.5
129.07027	9.4
131.08556	10.3
133.10161	6.6
146.03674	1.4
147.07994	2.3
147.10568	2.7
147.11690	48.5
149.09618	8.2
157.10114	12.4
161.05988	1.9
165.12779	19.4
168.70380	1.5
175.11183	16.0
183.13765	2.0
193.12238	48.6
208.54602	1.4
211.13298	8.6
221.05910	3.0
225.09091	8.1
229.14349	3.0
253.08537	12.4
267.15906	19.9
270.05191	5.9
285.07602	22.4
285.11188	10.5
285.16888	47.5
285.22021	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	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	8.8
56.99057	1.0
57.03448	19.3
59.33527	1.0
67.05514	23.4
69.07076	19.5
71.04980	6.0
79.05498	15.3
81.07064	95.0
83.04984	9.6
83.08623	14.1
85.06523	5.0
89.18501	1.2
91.05489	20.2
93.07043	12.3
95.04971	1.7
95.08601	23.0
97.06548	9.2
99.08096	5.8
101.05997	1.7
105.07035	39.8
107.04933	1.2
107.08615	14.9
109.06519	5.6
109.10155	1.4
111.08037	1.3
115.93699	1.3
119.08595	30.7
121.10132	26.6
123.08057	5.3
123.11704	44.2
127.07568	1.8
131.08571	1.4
133.10124	1.9
137.13217	1.3
147.11688	83.4
157.10049	4.3
165.12750	39.3
175.11256	4.2
183.13773	5.0
190.72305	1.3
193.12234	2.8
229.14299	8.7
261.37766	1.3
267.15897	7.6
285.16934	100.0
290.65341	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	285.1693
Annotation	CHEBI:69050
Peak:m/z	Relative Intensity
50.25852	0.7
53.03952	1.2
55.05514	2.2
57.03439	5.5
58.15115	0.8
64.30412	0.8
67.05523	6.4
69.03429	0.8
69.07063	1.7
71.04987	1.2
79.05496	7.9
81.03425	100.0
81.07064	8.8
83.04968	4.7
83.08627	21.4
86.13708	1.0
91.05473	11.7
93.07034	7.2
95.04971	22.7
95.08605	3.6
97.10187	1.2
105.07055	7.3
107.04955	8.1
107.08626	1.8
109.06482	2.2
111.08071	8.9
113.09005	0.9
113.69297	0.9
119.08603	8.4
121.10123	3.8
125.92771	0.8
129.07008	7.8
131.08557	9.1
133.06516	2.0
133.10158	5.4
137.09608	1.3
147.08028	3.2
147.10608	0.9
147.11609	7.2
149.09637	5.6
157.10126	8.5
175.11206	9.9
193.12248	52.4
211.11148	1.0
211.13286	3.5
267.15884	14.5
285.07761	1.1
285.16925	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	285.1693
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
54.34529	1.3
55.05516	14.7
57.03442	21.0
57.07072	2.1
67.05511	34.2
69.03422	2.3
69.07073	22.4
69.57086	1.6
71.05007	1.7
79.05491	16.5
81.03417	11.8
81.07058	100.0
83.04945	7.3
83.08616	18.2
85.02886	3.0
85.06525	7.4
89.91250	1.6
91.05473	23.7
93.07027	14.7
95.04958	9.7
95.08595	21.6
97.06500	6.6
97.10162	2.5
99.08081	3.8
101.06008	2.1
105.07041	38.3
107.08593	19.5
109.06486	9.1
109.10150	3.6
113.05968	2.8
119.08582	34.2
121.10139	25.0
123.08055	7.9
123.11713	34.8
129.06987	3.2
131.08551	4.0
133.10095	7.3
137.13243	2.6
147.11685	83.5
157.10056	6.5
161.05954	2.8
165.12741	31.6
175.11136	7.0
193.06541	2.1
193.12218	11.6
209.42299	1.7
221.05876	3.3
225.09056	14.9
229.14377	4.0
232.02777	2.0
242.05719	2.0
253.08601	24.4
267.15860	7.8
270.05121	6.4
285.04663	3.3
285.07486	67.9
285.11093	13.9
285.16898	98.2
285.22021	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	285.1695
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
50.36614	1.9
55.05507	9.5
57.03448	22.6
64.51952	1.8
67.05511	28.8
67.09550	1.6
69.07065	22.2
71.05004	2.5
71.54581	1.7
79.05486	13.2
81.07066	93.8
83.04974	4.4
83.08651	14.4
83.09054	2.0
85.06527	9.1
91.05487	25.4
93.07061	7.1
95.08592	20.7
97.06540	8.5
99.08124	3.2
105.07038	30.9
107.08600	12.5
109.06485	8.3
109.10124	2.7
117.74035	2.1
119.08581	34.7
121.10150	25.1
123.08054	8.4
123.11705	37.5
127.07589	2.2
127.64750	2.0
131.08551	3.3
135.53754	2.3
147.11687	94.4
157.10114	4.7
165.12759	40.2
175.11180	3.3
183.13765	2.6
193.12271	4.1
229.14316	12.8
233.26385	2.1
263.96899	2.0
267.15930	4.4
276.14581	1.9
285.07520	9.4
285.16953	100.0
285.20035	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	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	5.0
57.03436	16.7
67.05515	23.3
69.07074	5.7
71.08614	3.6
74.78072	3.1
79.05486	26.8
81.03427	95.0
81.07053	27.3
83.05000	7.7
83.08622	25.8
84.81710	4.5
85.02915	41.9
91.05453	18.3
93.07044	14.5
95.04966	37.6
95.08602	7.8
97.10131	4.6
105.07038	21.2
107.08589	5.6
109.10169	7.1
111.08094	15.0
112.07627	4.3
119.08580	23.4
121.10104	6.6
123.11684	3.9
129.06999	8.6
129.59709	3.6
131.08566	17.2
133.10106	8.2
136.72932	3.4
141.51859	3.7
147.08055	5.6
147.11641	21.7
147.40002	3.7
149.09671	6.5
157.10139	17.4
169.12440	4.4
175.11171	21.8
177.10669	3.7
193.12257	74.3
211.13289	43.8
267.15839	16.7
285.07300	5.8
285.16888	100.0
285.21872	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	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75761	2.5
52.70761	2.9
55.05522	4.4
55.40586	3.3
57.03445	9.0
61.00408	3.1
67.05503	8.1
76.00053	3.6
79.05495	7.9
81.03419	100.0
81.07063	22.5
83.04985	4.6
83.08623	21.2
85.02900	50.0
91.05471	18.7
93.07042	13.4
95.04958	28.3
95.08623	3.9
97.06561	4.1
97.10197	4.0
105.07014	16.3
107.04961	3.9
107.08541	5.8
109.06510	3.5
111.08041	7.0
113.06021	5.3
113.67526	3.6
119.08581	20.2
121.10133	7.7
129.06976	7.9
131.08553	8.6
131.56413	3.7
133.10103	7.8
147.11693	23.8
149.09564	5.1
157.10109	18.1
169.21790	3.6
175.11162	16.4
179.73117	3.3
181.71507	3.3
184.47632	3.5
193.12228	80.9
211.13275	47.8
267.15952	8.4
285.16931	62.2
287.11111	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	285.192
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83993	0.6
55.05508	4.4
56.05044	8.8
58.04079	1.2
60.05648	1.2
66.21829	0.7
67.05512	1.3
68.05026	1.1
69.04559	12.0
69.07079	1.4
70.06598	0.9
71.16766	0.6
72.04517	8.4
74.02430	3.6
74.06084	8.2
76.05136	0.8
79.05483	1.6
81.03423	5.1
81.07055	1.4
82.06575	3.0
83.08623	0.8
91.03201	0.8
93.07051	1.0
95.04943	1.0
95.06078	1.1
95.08582	0.6
96.05618	34.4
97.06379	0.9
97.10179	0.9
102.05541	2.6
107.04852	0.8
107.08587	1.2
110.07176	5.4
114.09145	1.4
116.08225	10.6
118.04989	4.6
120.06563	3.5
124.08682	1.0
124.11196	4.3
125.10740	2.5
126.12801	14.0
127.22182	0.7
131.08577	0.7
135.07648	1.7
138.10252	0.8
140.07062	0.8
142.12289	5.9
151.12195	0.7
152.11862	5.6
166.13382	8.7
166.15762	0.9
167.14183	1.4
168.14903	1.1
184.14447	49.9
192.15056	1.5
193.12267	2.7
197.01096	0.7
198.01521	1.1
226.14391	1.5
232.19298	0.7
240.16969	0.8
241.20100	2.8
250.15453	1.6
267.15274	2.8
267.18127	3.6
268.16531	8.8
285.07642	3.2
285.19193	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47472	1.2
55.96972	1.4
60.05645	1.6
69.07069	27.1
71.77846	1.3
72.04538	2.2
72.08154	8.1
72.88777	1.4
101.35378	1.3
113.10767	44.5
114.09169	100.0
115.08695	14.7
131.11832	10.7
156.11325	42.2
158.92192	1.6
173.13977	36.1
241.20215	92.1
247.30203	2.0
285.19211	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	285.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.5
55.05515	5.8
57.03440	5.7
57.07071	2.2
60.45668	1.2
67.05511	26.2
68.65937	1.2
69.07064	18.0
71.04987	7.2
71.08636	36.5
79.05502	31.9
79.05930	2.4
81.03422	14.0
81.07069	21.9
83.04974	2.5
83.08624	7.4
84.58747	1.4
85.02897	3.3
85.06523	1.5
91.05473	26.9
93.07047	13.8
95.04964	9.2
95.08607	30.3
97.06523	7.8
97.10176	2.4
99.08100	33.0
105.07027	15.5
107.04946	2.2
107.08596	100.0
109.06558	3.0
109.10165	17.1
111.10870	1.5
115.07530	1.8
117.07009	2.1
119.08580	27.4
121.10149	12.9
123.11695	7.1
125.05998	2.2
125.09619	2.3
127.11212	13.2
129.06972	2.6
131.08582	3.5
133.10115	28.2
135.08038	3.0
135.11685	5.7
137.09598	2.2
137.13191	1.7
141.12747	27.3
143.07022	17.3
147.08083	1.7
147.11694	16.7
151.11238	2.4
157.10092	6.3
161.08134	5.8
161.09514	1.5
161.13214	2.2
165.12714	2.3
169.12225	8.8
175.11183	6.3
175.14807	1.7
179.10661	1.5
193.12236	15.5
197.09735	1.4
203.17950	47.8
204.88766	1.7
205.19499	2.4
213.16556	1.8
221.19005	23.2
231.17429	6.0
249.18542	25.3
253.08299	1.6
267.15469	1.7
267.19418	16.1
285.07535	8.7
285.10806	1.7
285.17007	11.7
285.20239	3.4
285.22186	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	285.2422
Annotation	2-Methoxy-5Z-hexadecenoic acid
Peak:m/z	Relative Intensity
52.69603	2.3
53.03970	2.4
55.05524	46.4
57.03449	3.0
57.07072	11.1
60.26454	2.2
67.05514	55.6
69.07074	100.0
71.05001	3.8
71.08630	4.2
79.05505	17.5
81.07064	83.8
83.04996	3.3
83.08627	64.5
83.17168	2.2
85.06560	5.1
85.10202	3.1
91.05487	15.1
93.07044	27.6
95.08611	93.1
97.06531	16.9
97.10178	57.0
99.08121	4.6
105.07034	18.5
107.08598	28.6
109.10171	49.8
111.08064	6.2
111.11724	24.8
119.08591	22.0
121.10146	44.8
123.08118	3.8
123.11700	25.5
125.09636	10.5
125.13279	5.3
133.10146	38.2
135.11687	49.1
137.09634	10.2
137.13261	10.9
139.11201	17.6
147.11708	28.9
149.13333	10.3
151.11163	12.4
151.14787	13.2
153.12738	10.7
161.13239	22.8
165.12747	5.7
175.14806	12.9
179.14317	9.2
193.19522	4.6
217.19522	48.9
235.20538	56.8
253.21597	26.1
265.60388	2.5
285.07568	40.6
285.12241	3.4
285.15836	3.6
285.18710	8.4
285.24258	12.2
296.18317	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	286.0323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19366	39.3
56.16043	37.9
75.76049	44.1
82.71355	51.7
98.13551	43.3
175.87048	54.0
191.78421	56.7
224.33099	63.8
286.03238	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0323
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16805	14.7
59.38078	15.6
95.96799	19.5
118.49431	17.1
130.15604	17.2
136.57297	16.9
169.00343	16.1
181.86653	19.4
189.65942	20.2
286.03442	65.6
286.06888	100.0
308.33102	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	286.06
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35183	1.3
56.05037	10.5
56.96575	76.7
60.05657	6.1
63.83992	1.5
69.07085	1.7
70.06600	22.5
72.04506	2.6
72.08143	8.5
74.02437	1.6
74.06080	7.3
74.97612	18.9
76.05127	1.8
84.04508	2.9
84.08139	10.9
85.02383	1.8
86.09711	53.7
86.97581	9.6
92.98676	1.7
101.01727	2.4
102.05530	9.1
106.06580	2.2
110.07143	10.9
112.05132	2.6
114.97053	7.3
116.06272	3.5
116.07092	100.0
124.56741	1.5
127.08676	6.0
129.10254	6.4
132.98097	32.3
140.08102	1.8
143.03796	11.0
143.11847	3.0
150.79106	1.4
150.99133	54.8
154.10947	1.7
155.08051	1.7
159.03232	2.2
161.03516	2.8
161.04858	67.0
169.00218	19.3
173.09213	73.5
177.04427	2.0
179.05917	26.9
183.01128	1.7
184.98982	8.4
185.09093	1.9
187.02779	1.8
201.02151	5.5
203.00041	20.0
203.05035	1.5
205.03897	2.1
217.06319	1.7
219.05301	3.2
221.01021	1.9
223.04926	7.7
237.06461	1.9
244.07542	3.4
245.01068	8.4
245.05957	2.2
249.58932	1.5
263.02063	5.1
263.04349	26.5
263.07162	9.7
268.11627	1.6
269.08014	1.5
281.05386	13.3
282.18246	2.0
283.18665	1.7
286.13937	8.3
286.17499	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	286.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16536	0.4
53.44483	0.4
54.90882	0.4
58.99587	0.5
69.07078	0.4
70.06597	26.9
72.08149	2.0
84.08117	1.9
86.09714	11.8
101.01732	100.0
116.07095	48.4
126.89359	0.5
127.08742	0.6
128.54701	0.5
129.10204	0.5
143.02754	4.5
147.02217	8.5
171.11241	0.7
173.09219	21.9
183.14929	0.9
184.98962	1.0
187.10794	0.6
198.06964	6.6
203.00015	4.2
211.10800	1.2
211.14415	0.8
221.01082	0.8
226.06458	4.5
240.07961	0.9
244.07504	80.5
245.00943	0.9
263.02133	2.4
286.08542	51.2
286.13705	1.5
286.17343	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	286.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22455	0.2
55.01846	0.2
57.03433	0.5
61.02931	0.4
69.03423	0.5
70.06586	1.7
73.02905	0.5
77.11344	0.2
80.31345	0.2
81.03431	1.0
84.08163	0.3
85.02898	2.9
86.09704	1.6
87.69987	0.2
91.05449	0.3
97.02888	0.6
101.01741	1.5
105.47900	0.2
106.06554	100.0
108.08129	0.3
109.02847	0.4
115.03910	0.3
116.07072	2.9
118.06538	7.8
120.08117	0.3
124.07563	2.4
127.03907	0.5
130.06519	1.1
132.08090	1.0
134.06030	0.6
144.08084	0.4
146.06017	0.4
148.07558	1.8
154.05083	0.3
160.07491	0.4
166.08534	0.3
167.07062	0.4
173.09259	1.8
176.06989	0.3
184.98958	1.1
187.64545	0.2
196.07590	0.3
201.02007	0.5
203.00008	2.1
244.07506	0.6
250.10834	0.3
263.02209	1.0
268.11850	1.4
286.08630	0.4
286.12943	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	286.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	7.0
58.06595	0.9
62.06100	6.6
63.18179	0.5
70.67419	0.6
70.99448	0.7
71.08624	3.8
82.59229	0.7
85.10182	0.8
118.66715	0.6
127.31557	0.6
137.86742	0.6
180.79338	0.6
212.23727	14.4
230.24785	73.7
286.31036	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	286.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	7.0
58.06553	0.9
59.65062	0.6
62.06095	8.1
64.34110	0.6
71.08624	3.8
85.10176	1.3
95.10441	0.6
100.25484	0.6
143.86902	0.6
145.97316	0.6
212.23727	13.7
228.23164	0.8
230.24774	78.7
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	286.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35396	0.5
51.89423	0.4
57.07080	8.6
57.41246	0.5
57.41560	0.5
58.06587	1.2
62.06093	8.2
71.08624	3.2
80.33656	0.5
85.10177	1.1
212.23734	14.1
230.24771	84.0
253.90231	0.7
286.31033	100.0
288.30841	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	286.993
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81690	2.7
54.06146	2.9
61.47443	3.0
63.58760	2.9
69.33221	2.7
94.93021	15.0
96.92809	2.9
102.88838	3.2
108.08473	3.3
108.67373	3.3
112.89585	46.6
114.89346	38.6
126.40949	3.7
136.94031	28.2
150.95587	42.4
173.04048	7.7
176.93542	100.0
178.95114	19.4
188.93524	23.4
210.97076	3.9
212.84258	4.1
268.98239	43.5
286.99243	51.3
287.08249	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	287.0275
Annotation	Ciprofibrate
Peak:m/z	Relative Intensity
61.63027	3.3
70.15366	3.6
79.90005	3.9
111.38148	3.7
132.87921	4.4
133.71416	3.9
156.43240	4.6
158.50331	4.1
176.93640	4.8
196.85793	5.2
210.11719	4.3
287.02762	100.0
287.05826	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	287.0274
Annotation	Sulfametrole
Peak:m/z	Relative Intensity
62.64956	3.2
69.03440	4.5
73.02915	8.6
76.49142	3.7
84.08143	4.7
85.02878	5.8
86.09684	19.3
88.08469	3.9
97.02896	6.0
98.97547	5.5
100.35284	4.2
103.51998	3.6
125.01804	5.0
126.02578	7.5
130.20360	4.1
136.06169	48.0
137.22997	4.0
152.05644	41.5
155.02843	8.6
155.06174	4.0
156.03629	3.9
159.13567	4.3
169.90070	3.5
170.99654	7.3
183.04094	24.7
192.04619	39.9
246.63539	3.8
251.04367	16.1
287.02817	100.0
287.12900	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	287.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41616	0.2
55.31545	0.2
59.31118	0.2
60.61661	0.2
62.37514	0.2
65.62191	0.2
71.96124	0.2
79.78230	0.2
80.14115	0.2
80.37410	0.2
81.07037	0.2
95.08570	0.2
96.04921	0.2
111.00822	0.4
121.02889	1.9
133.02837	0.5
137.02438	0.3
141.40205	0.2
153.01854	2.5
153.05316	0.2
165.01871	1.4
165.80264	0.2
171.11642	0.3
183.02884	0.9
213.05406	1.5
231.06540	0.3
239.14363	0.2
241.04881	0.9
245.48149	0.2
258.05234	0.9
259.06018	0.5
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	287.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61787	0.1
55.59603	0.1
68.99767	0.2
80.05383	0.1
95.08607	0.2
95.47470	0.1
105.03377	0.2
107.04954	0.2
111.00803	0.7
121.02872	2.2
133.02850	0.3
137.02339	0.6
147.04390	0.3
149.15309	0.2
153.01813	3.2
165.01825	1.9
183.02901	0.7
185.06068	0.2
213.05365	1.4
231.06485	0.3
241.04921	0.7
258.05167	1.1
259.06027	0.6
287.05487	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
67.22248	0.1
68.99787	0.1
74.36409	0.1
79.53470	0.1
81.07066	0.2
109.10093	0.1
111.00774	0.3
113.29551	0.2
121.02876	1.7
131.83827	0.1
133.02832	0.2
137.02351	0.2
147.04424	0.2
152.25957	0.2
153.01820	2.4
164.06755	0.1
165.01823	2.3
183.02850	0.8
185.05943	0.3
185.34602	0.1
195.11310	0.2
195.37991	0.1
213.05441	0.9
231.06445	0.7
241.04901	0.7
251.20274	0.2
258.05139	0.5
259.05914	0.3
287.05481	100.0
292.68500	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	287.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
61.74356	0.1
62.41606	0.1
89.47417	0.2
95.08681	0.1
97.48542	0.2
111.00804	0.8
121.02868	1.8
133.02852	0.2
135.04358	0.2
137.02342	0.3
147.04424	0.2
153.01834	2.0
162.05113	0.1
165.01817	1.1
183.02916	0.8
213.05447	0.8
231.06578	0.7
241.04933	0.7
258.05185	0.7
259.05853	0.3
287.05487	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0639
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48055	3.3
55.05527	6.4
58.01270	4.2
58.44483	4.3
60.04532	5.9
62.88873	4.1
69.07063	6.6
70.06577	26.0
72.08160	69.4
73.25753	4.4
84.08146	67.0
84.78073	4.2
84.88246	3.8
86.09707	100.0
95.08577	5.7
95.45115	5.1
97.06525	9.4
98.06036	4.9
102.98047	4.7
105.78549	4.3
110.07140	7.5
116.07098	34.2
117.07431	7.3
122.37914	4.3
129.10222	89.2
138.06628	6.6
178.53088	4.6
185.16493	10.4
256.28262	4.7
260.25482	4.4
262.13867	6.1
280.28348	5.1
283.07446	4.9
287.06384	76.7
287.16907	29.3
305.52686	4.9
305.56998	4.5
307.84647	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	287.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49474	0.5
54.96409	0.5
56.05034	1.2
59.43623	0.5
60.46066	0.6
70.06584	5.1
71.06924	1.0
72.08154	3.0
73.62886	0.5
74.06065	2.2
74.64368	0.7
76.05131	2.2
80.74519	0.5
84.04506	0.7
84.08137	3.0
86.09683	4.3
94.98093	0.5
115.99352	0.5
116.07140	0.8
117.07433	0.6
126.05531	0.6
129.10240	2.6
134.61189	0.5
150.59993	0.5
173.12900	0.8
214.26401	0.5
287.10995	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1599
Annotation	Abacavir
Peak:m/z	Relative Intensity
56.05049	1.9
57.03439	0.9
60.04508	0.9
61.45597	0.9
63.52272	0.8
67.05501	6.8
67.44335	0.9
68.90652	0.7
69.07060	1.1
70.02958	11.4
70.06586	1.9
71.04958	0.9
72.04506	0.9
76.50118	0.8
84.04469	1.7
84.08147	2.1
85.04020	2.2
85.06597	1.0
86.09715	1.6
87.04449	1.0
87.05595	13.1
88.03991	5.2
93.07063	3.4
95.08594	4.2
96.04483	4.5
98.06070	1.5
102.05528	1.1
107.08512	1.2
108.04458	7.9
109.10152	17.6
113.09646	6.8
119.08581	2.3
120.18269	0.9
121.02879	1.2
135.08067	3.9
136.11230	9.1
137.09622	21.6
138.12856	1.0
140.34616	0.8
152.14412	1.4
154.05003	4.1
154.12259	11.4
155.10687	2.0
158.02882	1.0
163.11256	1.0
164.10748	11.6
166.12282	4.0
172.13319	15.9
173.11713	4.0
175.07159	5.8
178.12265	10.9
180.13818	25.6
180.15240	1.7
182.11781	10.4
184.13335	6.6
188.10724	5.3
198.14877	4.1
206.11761	63.9
210.11227	8.0
223.14476	1.0
224.12834	33.9
228.12311	1.7
241.15457	14.3
242.13889	9.1
252.12270	2.0
272.08673	2.0
287.02661	1.3
287.05487	52.4
287.11163	15.0
287.16037	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	287.16
Annotation	Abacavir
Peak:m/z	Relative Intensity
55.05501	1.1
60.04520	1.2
62.04436	0.9
67.05512	9.1
69.07081	1.0
69.85580	0.9
70.02959	11.0
70.06583	2.6
71.86729	1.0
71.89735	1.2
72.08142	1.3
72.71004	0.8
81.07061	1.9
81.59403	0.9
84.08118	1.2
87.05606	9.5
88.03985	2.0
91.05494	1.8
93.07037	4.2
95.08604	2.1
96.04479	2.4
108.04492	8.8
109.05200	1.1
109.10150	17.7
119.08585	4.6
131.74304	1.2
135.08084	1.8
136.07545	1.5
136.11203	5.7
137.09612	21.1
154.04985	2.3
154.12253	15.5
155.10619	4.1
162.12785	1.6
164.10707	9.2
166.12245	4.2
167.30930	1.2
172.13333	13.3
173.11726	1.9
178.12308	11.2
180.13806	27.1
182.11758	12.4
183.12656	0.9
184.13332	6.1
188.10690	6.2
192.10080	1.2
198.14925	4.4
205.10118	1.3
206.11758	61.8
210.11264	11.7
223.14409	1.8
224.12787	32.9
228.12274	4.5
241.15475	13.2
241.17795	1.6
242.13930	9.5
252.12379	2.2
259.02939	1.1
269.15259	1.7
270.13376	2.1
287.05444	6.3
287.16003	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	287.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76599	0.7
53.97561	0.8
54.27246	0.7
55.49265	0.9
55.73744	0.8
56.05043	3.4
56.66625	0.9
56.96561	1.0
60.05661	58.4
68.34475	0.9
70.06593	4.2
71.08630	4.3
72.08124	1.1
74.06082	12.0
84.04485	1.7
84.08160	1.9
86.09714	1.9
98.09683	4.2
99.08088	6.6
102.05551	2.3
116.07101	2.4
116.10729	4.1
117.07432	0.9
120.06571	1.9
134.56410	1.0
150.81937	1.0
158.12892	23.4
166.12346	1.4
167.36049	0.9
168.11320	5.3
181.13359	1.1
186.12521	1.3
193.14496	5.5
195.16049	18.6
199.14529	1.1
211.15523	7.3
225.17160	6.5
227.13939	4.9
228.12311	2.3
241.16586	4.0
245.14952	7.7
269.16125	1.5
280.84842	1.0
287.17136	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	287.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74454	0.5
52.17549	0.5
56.05032	4.0
60.05655	69.9
67.55223	0.6
70.06590	6.4
71.08630	5.7
72.08159	3.6
74.06084	7.1
74.77989	0.6
84.04517	0.9
84.08162	0.8
86.09701	1.5
88.83847	0.7
95.03104	0.7
98.09715	5.0
99.08084	6.6
100.49412	0.7
102.05549	1.5
112.08717	0.9
114.10283	3.4
116.07072	1.4
116.10722	4.0
120.06564	3.6
130.09763	5.9
132.00053	0.6
137.08339	0.7
158.09343	1.1
158.12892	21.1
168.11273	5.5
181.13400	1.5
182.15402	19.3
184.16969	5.3
193.14490	4.7
195.14272	1.0
195.16057	25.8
207.15991	0.9
211.15578	7.8
223.15518	1.5
225.17131	6.9
227.13907	4.0
228.12343	4.6
228.15926	2.7
241.16541	3.0
245.14928	6.8
269.16025	3.9
287.17120	100.0
287.20706	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	287.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05043	4.9
56.08265	1.7
58.06611	3.0
60.04531	4.2
60.05664	2.5
69.03481	2.0
70.06592	48.6
71.04994	16.3
72.08160	38.8
74.06088	13.8
84.04502	3.4
85.45187	2.1
102.05608	3.4
106.06550	2.6
107.06889	4.1
112.07613	24.4
112.08701	17.2
115.08689	22.0
118.08665	4.4
124.07580	11.2
125.07148	2.1
125.07946	10.9
139.83421	2.3
140.07088	7.6
145.23740	2.4
149.71918	2.2
157.09727	9.7
157.10873	2.7
157.59497	3.1
164.11603	4.4
175.11931	3.6
177.11830	2.7
178.11322	2.5
182.09253	3.1
185.11693	10.4
187.11880	33.9
198.13564	3.0
199.11963	20.7
206.64244	3.5
208.11906	2.6
216.14558	8.9
237.64299	58.6
265.16486	2.2
287.10968	36.8
287.17767	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05043	4.9
56.08265	1.7
58.06611	3.0
60.04531	4.2
60.05664	2.5
69.03481	2.0
70.06592	48.6
71.04994	16.3
72.08160	38.8
74.06088	13.8
84.04502	3.4
85.45187	2.1
102.05608	3.4
106.06550	2.6
107.06889	4.1
112.07613	24.4
112.08701	17.2
115.08689	22.0
118.08665	4.4
124.07580	11.2
125.07148	2.1
125.07946	10.9
139.83421	2.3
140.07088	7.6
145.23740	2.4
149.71918	2.2
157.09727	9.7
157.10873	2.7
157.59497	3.1
164.11603	4.4
175.11931	3.6
177.11830	2.7
178.11322	2.5
182.09253	3.1
185.11693	10.4
187.11880	33.9
198.13564	3.0
199.11963	20.7
206.64244	3.5
208.11906	2.6
216.14558	8.9
237.64299	58.6
265.16486	2.2
287.10968	36.8
287.17767	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99477	2.3
55.05506	4.8
60.05645	5.4
69.07039	2.8
70.06609	22.4
72.08154	62.7
73.53886	2.5
74.06081	2.6
82.05349	2.8
82.64740	2.4
84.08147	16.3
86.09708	100.0
96.05606	4.7
101.40995	2.5
105.63940	2.3
116.07112	11.0
129.10254	11.9
130.08698	3.0
147.11195	2.8
156.11375	6.2
158.09283	4.5
175.11920	36.8
185.16542	28.5
189.12314	4.7
194.12938	2.7
212.39040	2.8
213.15984	17.5
240.13388	12.2
240.98123	3.0
270.14496	48.2
271.17587	5.2
288.08395	28.4
288.11569	16.9
288.15363	11.3
288.20285	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	288.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64481	0.6
54.19226	0.9
56.05019	0.9
59.10870	0.9
62.26865	0.9
65.37419	0.9
68.05044	0.9
69.48743	0.8
70.06573	3.8
79.05484	3.4
81.07051	3.8
83.04977	1.7
84.04490	1.7
86.05593	1.4
86.06071	28.2
86.09662	1.1
87.04471	28.6
93.07034	6.9
95.08583	1.9
98.06055	94.8
107.08601	1.7
121.03313	0.9
121.10133	12.0
124.07574	1.1
126.05504	14.8
128.07053	1.0
131.08533	4.5
139.11200	4.7
142.08641	2.2
149.09621	17.3
154.08604	7.3
166.12247	9.6
167.10730	1.3
184.13306	11.6
191.68353	1.0
202.14392	1.0
206.15358	6.7
224.16495	8.2
234.14899	5.0
238.23354	0.9
238.91975	0.9
242.06799	1.1
252.15919	36.7
265.89307	1.1
270.16898	1.0
288.18042	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05994	0.4
52.81097	0.4
53.61292	0.5
54.26336	0.3
56.05040	0.7
57.97083	0.4
60.05350	0.6
60.05657	18.2
60.49812	0.3
64.72400	0.4
69.04562	0.7
69.04939	0.4
70.06603	0.9
71.04987	0.4
73.36011	0.4
76.05119	0.5
80.05009	0.8
81.07059	2.2
83.08627	1.9
86.06043	0.7
86.09699	1.1
88.94316	0.5
91.05511	0.4
96.05616	2.5
98.06045	0.8
114.06656	2.6
121.10186	0.6
125.09538	0.5
141.82756	0.5
147.11716	0.7
150.35002	0.5
164.14372	0.8
165.40015	0.5
166.12219	0.8
175.11081	0.6
182.15378	5.5
184.13307	5.0
192.13815	2.3
193.12265	2.6
200.16512	1.9
202.14421	0.7
206.16629	1.1
207.14796	0.5
209.12860	0.8
210.14915	10.4
211.13347	2.8
212.12149	0.5
224.16409	0.6
225.16071	0.7
227.13911	0.8
228.15689	1.6
234.16060	12.4
235.14328	0.9
252.17133	7.9
270.18140	16.1
288.19186	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	4.8
57.90062	0.6
70.06586	6.0
72.08158	92.5
84.08165	0.8
86.09708	100.0
93.33954	0.6
93.54022	0.7
116.07100	0.8
129.10300	1.2
175.11908	2.4
185.16495	39.3
189.12335	18.2
213.15990	28.7
260.07172	0.6
288.19876	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	288.1917
Annotation	Leu-Val-Gly
Peak:m/z	Relative Intensity
54.55716	0.4
55.05528	4.6
55.42174	0.4
56.05046	0.9
61.65200	0.5
70.06591	9.2
72.08159	100.0
76.26444	0.5
78.37897	0.4
84.08138	0.9
86.09706	6.2
88.03992	0.6
90.05478	0.4
98.97620	0.5
110.07150	0.6
112.07610	0.4
113.07070	0.5
113.96420	0.5
116.07092	0.9
118.08634	6.5
121.06488	0.8
129.09178	0.6
129.10208	1.8
133.91486	0.5
143.11806	29.0
160.07211	0.7
171.11276	19.4
171.12662	0.8
171.14917	11.8
175.11909	2.1
185.16673	0.5
189.12306	8.6
199.14384	7.5
217.15633	0.6
256.12988	2.7
288.15460	2.7
288.20325	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	288.1917
Annotation	Gly Val Leu
Peak:m/z	Relative Intensity
53.13048	0.4
55.05509	2.2
57.94018	0.4
59.54198	0.4
63.03813	0.4
67.16946	0.4
69.66894	0.4
70.06580	0.8
72.08160	57.9
73.51888	0.4
76.64907	0.4
86.09709	22.6
86.62266	0.4
93.54438	0.4
107.37641	0.5
108.59146	0.4
109.10180	0.4
123.79081	0.4
129.10242	100.0
130.88277	0.4
132.10211	13.3
157.09721	29.7
172.13329	0.7
203.92728	0.5
211.87120	0.5
231.16991	0.5
273.49240	0.4
288.19873	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	288.1917
Annotation	Leu-Val-Gly
Peak:m/z	Relative Intensity
53.14773	0.4
53.27080	0.4
55.05511	0.7
57.03418	0.4
58.06588	0.5
58.40965	0.5
69.07062	4.1
70.06599	5.0
72.08160	19.8
75.05610	21.7
76.52222	0.5
84.08140	0.6
86.09711	87.8
97.06537	0.8
115.58851	0.4
116.07082	0.7
118.08664	11.7
120.08053	1.9
129.10255	4.6
137.21916	0.5
143.11801	100.0
144.08099	1.9
160.07158	1.0
161.64337	0.5
171.11281	27.2
175.10622	3.3
175.12103	1.5
242.17447	0.6
244.93124	0.4
256.12909	3.6
270.18286	0.6
288.05905	1.0
288.15814	4.3
288.20059	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	288.1916
Annotation	Leu-Val-Gly
Peak:m/z	Relative Intensity
55.05511	5.3
56.04778	1.1
56.05042	22.8
58.06609	1.6
59.79860	0.8
67.05489	3.5
69.07065	0.9
70.06594	1.8
70.19482	0.8
71.81463	0.9
72.07750	2.1
72.08157	64.0
74.02387	0.9
74.06086	27.3
79.05502	10.8
81.07042	2.1
81.48500	0.8
82.06589	1.8
83.08630	3.9
86.09713	39.9
90.15810	0.9
90.51749	1.1
92.97356	0.9
94.49258	0.9
97.10179	1.7
102.05544	5.7
107.08607	8.9
120.06564	7.9
120.08082	1.7
124.10378	1.7
124.11233	34.3
129.10242	100.0
132.10191	17.2
134.09615	1.3
135.08134	1.0
143.11766	4.3
152.10672	8.8
154.12312	1.3
157.09718	22.2
157.13300	1.2
170.06056	1.1
170.11757	9.0
183.97084	0.9
187.14384	8.8
189.12225	1.1
191.15770	1.0
248.57959	1.0
250.57092	0.9
265.61484	0.9
271.16696	1.2
288.19150	34.2
308.19513	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	288.1917
Annotation	Leu-Val-Gly
Peak:m/z	Relative Intensity
50.76881	0.2
55.01883	0.4
55.05521	6.7
57.03459	0.7
57.05830	0.3
58.06589	0.4
60.05656	0.2
61.02936	1.8
65.03949	0.3
69.03442	3.5
70.06591	1.2
70.30087	0.2
71.04984	0.4
72.08160	100.0
73.02927	0.4
73.49519	0.3
74.06075	0.3
81.03440	0.7
83.08607	0.6
84.08955	0.7
85.02912	18.4
86.09711	48.9
87.04461	0.3
91.05484	64.0
97.02897	13.3
99.04428	0.5
107.08612	0.5
109.02890	0.6
111.08054	0.4
115.03905	1.7
117.07016	0.5
118.08657	4.4
127.03924	4.0
129.06969	0.7
129.10249	5.3
132.10207	18.5
133.06494	0.4
143.11803	44.5
145.04930	4.7
156.08092	2.5
157.06453	0.5
157.09735	13.9
161.04501	0.5
163.01758	0.3
163.05962	1.5
169.00676	0.3
169.06387	0.3
171.08008	0.4
171.11279	11.2
175.11884	0.5
180.08621	1.4
180.11365	0.3
187.01801	0.3
189.03458	0.5
189.12338	17.1
199.01831	0.6
199.07346	0.4
215.21954	0.3
217.02808	0.5
217.08543	1.2
235.09612	0.4
243.16933	1.7
247.03841	0.7
253.10628	0.6
256.12851	0.7
265.04922	1.8
270.18173	0.5
288.11798	1.7
288.15524	0.5
288.19131	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	288.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30495	0.8
58.77394	0.8
59.22883	0.8
60.05402	1.0
60.05657	20.1
62.97703	0.8
67.33006	0.9
69.03414	1.1
70.06595	72.2
72.08144	4.6
85.02919	1.1
86.09715	21.2
97.02858	1.0
98.06062	1.7
112.08730	13.2
114.10279	1.0
115.08680	3.9
116.07097	8.9
123.98588	0.9
130.09735	1.2
136.39912	1.2
140.08165	1.1
152.98323	1.0
156.11314	1.4
157.10828	5.9
158.09241	8.4
165.78490	0.9
170.08127	0.9
173.02776	1.1
175.11891	48.6
183.14969	1.0
208.14354	2.0
212.12758	1.6
228.17055	1.7
229.15491	15.3
251.04462	1.2
256.88196	1.1
269.05453	1.7
271.17584	11.4
288.20276	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2029
Annotation	Arg Leu
Peak:m/z	Relative Intensity
56.47066	0.6
57.01274	0.6
60.05658	18.8
63.99245	0.6
66.46602	0.6
70.06594	91.8
72.59314	0.6
82.44123	0.6
82.65032	0.6
82.81172	0.6
86.09701	10.4
88.07612	1.1
95.33091	0.6
97.07684	0.9
98.06044	2.6
112.08718	13.1
115.08698	3.2
116.07107	6.0
126.06641	0.8
130.09770	2.8
140.08156	1.2
149.02783	0.8
156.11287	1.0
157.10838	2.6
158.09230	5.3
166.12186	0.7
175.11893	39.8
183.14911	1.1
207.87122	0.7
208.14474	1.0
212.12726	1.1
225.17110	1.4
228.17043	4.4
229.15417	7.2
253.16582	1.1
254.15012	1.0
271.17624	15.1
288.20297	100.0
303.99570	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	288.2531
Annotation	Prosopinine
Peak:m/z	Relative Intensity
56.05041	7.4
57.07090	9.8
71.08627	5.6
74.06080	24.7
74.85063	0.6
85.10161	2.3
88.07632	65.1
91.45543	0.7
92.21348	0.7
102.05553	4.9
116.07081	2.5
120.06577	9.2
242.24767	34.7
270.24271	2.8
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	288.2532
Annotation	Prosopinine
Peak:m/z	Relative Intensity
54.51559	0.7
56.05027	1.5
56.26189	0.6
57.07083	8.6
58.06600	1.0
58.08247	0.7
70.06596	1.7
71.08616	4.8
72.04490	0.9
73.02918	20.9
85.10168	1.4
86.06059	4.1
98.06034	0.8
98.09705	0.8
102.05544	27.2
116.07088	85.2
120.06566	1.0
137.92882	0.8
167.52148	0.9
210.22157	4.8
226.21613	1.3
270.24249	3.5
280.36246	0.7
288.25314	100.0
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	Prosopinine
Peak:m/z	Relative Intensity
54.51559	0.7
56.05027	1.5
56.26189	0.6
57.07083	8.6
58.06600	1.0
58.08247	0.7
70.06596	1.7
71.08616	4.8
72.04490	0.9
73.02918	20.9
85.10168	1.4
86.06059	4.1
98.06034	0.8
98.09705	0.8
102.05544	27.2
116.07088	85.2
120.06566	1.0
137.92882	0.8
167.52148	0.9
210.22157	4.8
226.21613	1.3
270.24249	3.5
280.36246	0.7
288.25314	100.0
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
53.61806	0.4
57.07082	3.9
59.63483	0.4
60.41092	0.4
62.06103	0.4
69.07085	0.4
69.33325	0.4
70.06593	6.4
71.08628	2.7
85.10197	0.7
85.17599	0.3
88.07626	15.3
102.09172	4.9
106.08667	9.4
133.34413	0.4
161.47301	0.4
167.26576	0.4
244.26309	0.9
256.26273	2.6
270.27896	10.3
288.28946	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	288.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00845	0.6
54.77103	0.5
55.14662	0.5
56.00285	0.6
56.19951	0.5
57.07084	10.0
58.06605	5.8
70.06598	7.1
71.08627	3.8
72.08169	5.5
85.10188	3.5
87.18806	0.8
88.07637	25.9
90.39542	0.5
97.50416	0.7
102.09207	0.9
106.08678	33.6
118.17153	0.6
131.13850	0.7
131.28767	0.7
160.39088	0.7
214.81488	0.7
226.25305	24.1
227.20047	1.2
254.76512	0.7
270.27887	3.4
288.25592	4.0
288.28967	100.0
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
57.07080	3.4
70.06601	5.9
71.08622	2.4
72.49135	0.4
85.10172	1.8
88.07122	0.7
88.07633	15.9
102.09200	4.8
106.08674	9.7
119.41724	0.4
140.23781	0.4
174.67850	0.4
176.22571	0.4
244.26382	0.7
256.26352	5.2
270.27893	7.9
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	289.0683
Annotation	Unknow
Peak:m/z	Relative Intensity
59.53987	4.4
60.05651	12.9
64.89332	4.7
70.06595	74.0
71.06927	22.9
72.08138	6.7
84.08138	8.1
86.09729	22.8
87.10046	7.7
98.98721	6.3
112.08740	11.0
116.07098	7.2
127.03865	7.2
143.49359	6.2
175.11926	27.4
176.12263	22.6
222.51582	6.8
237.23335	5.6
289.06372	69.8
289.14395	12.6
289.20517	100.0
310.82651	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	289.0683
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05640	27.5
70.06589	76.3
71.06922	37.7
72.08157	6.3
73.85221	5.3
84.04509	8.4
84.08119	7.5
85.47565	5.6
86.09695	13.1
100.72656	5.7
100.93855	7.5
100.94516	6.5
112.08694	9.6
113.82316	6.1
116.31323	5.8
116.99766	6.1
127.03732	7.0
130.08641	6.0
175.11873	24.4
176.12236	26.8
272.17877	13.2
289.06772	91.9
289.09058	73.1
289.14581	20.8
289.20615	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
62.32129	0.9
69.04558	5.3
70.06581	3.7
71.04990	5.4
72.08140	2.1
74.02454	1.1
74.06081	2.1
84.08150	1.2
84.65057	0.8
86.09705	1.2
87.00831	3.9
88.50705	0.8
96.05602	6.5
98.06050	1.7
99.07964	1.1
102.05550	2.0
109.72290	0.9
113.09626	2.1
113.42358	1.0
116.07087	1.2
116.08195	2.1
119.47975	0.9
120.06596	1.1
120.08076	2.1
124.03948	2.0
127.03934	1.3
128.08218	4.1
129.09084	0.9
129.10205	1.1
130.06523	28.6
132.04439	8.6
132.08072	4.5
146.06041	0.9
156.11325	35.8
157.07607	99.7
158.05995	38.5
159.09180	15.1
160.07513	1.8
174.10249	5.4
175.08658	12.1
176.10217	1.1
183.05586	1.0
184.07565	1.7
185.07092	12.0
186.05403	2.2
188.13922	4.1
194.05562	1.0
197.07130	5.0
199.08659	5.8
200.16704	1.2
201.06581	3.8
201.10213	3.3
202.07405	3.5
203.08153	100.0
212.13789	1.0
225.06537	7.6
227.08162	8.1
229.06030	1.6
240.13420	4.8
243.07600	6.8
244.16493	1.2
245.09186	19.4
257.16074	29.4
261.08704	1.3
271.07135	24.1
272.10089	1.1
289.08215	37.7
289.12964	2.0
289.18658	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	289.082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
56.05046	3.8
56.40807	0.8
57.84291	0.9
61.02913	0.8
68.67973	0.8
69.03418	3.7
69.04544	5.6
70.06567	1.6
71.04998	11.8
71.61096	0.8
72.04528	1.4
72.08152	4.3
74.02441	4.1
74.06077	4.8
81.03433	6.3
85.02914	11.0
86.09696	1.3
87.00841	4.4
88.07628	3.8
89.07366	0.8
93.16360	0.9
96.05621	12.7
96.08105	1.0
97.02880	7.6
99.04448	15.9
99.07958	1.5
102.05528	5.9
103.03962	6.7
109.02882	6.1
112.08744	1.2
113.09651	6.3
116.08188	5.4
116.56182	0.9
127.03921	22.2
128.08180	6.9
128.10750	0.9
130.05017	1.2
130.06511	24.0
132.04443	5.5
132.08067	1.9
135.07620	1.0
138.10258	4.2
140.11852	3.7
142.09753	1.7
145.04929	4.1
146.05949	1.4
151.05989	0.9
156.11317	100.0
157.07603	85.5
158.06010	36.6
159.09174	13.8
172.09750	1.5
175.08630	10.9
184.07600	1.7
185.07091	9.6
186.05539	1.7
188.13974	10.3
189.12215	1.0
193.95061	0.9
194.12840	1.1
197.07118	5.3
199.08670	9.1
201.06648	5.3
202.07356	1.4
203.08147	89.3
212.13876	1.5
225.06607	8.6
227.08051	6.7
229.06161	1.3
240.13377	22.1
243.07649	5.5
245.09196	19.2
253.07213	0.9
257.16068	71.9
261.08762	1.7
271.07095	25.4
289.08209	33.8
289.11526	2.6
289.15237	1.5
289.18689	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	289.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69452	0.7
68.99818	1.0
69.03425	1.6
69.04559	1.9
70.06566	1.0
71.04981	1.0
72.08180	1.3
73.61464	0.9
74.06092	1.3
81.03416	2.0
85.02911	4.5
86.09686	1.2
87.00812	4.2
88.07639	0.9
89.20345	0.8
96.05619	1.4
97.02880	3.7
99.04444	10.2
102.05578	1.5
103.03946	4.8
109.02869	4.2
116.08168	1.4
119.80762	0.9
127.03913	10.2
130.06519	30.0
132.04433	9.5
132.08063	1.8
153.79178	1.1
156.11308	14.6
157.07602	100.0
158.06012	46.1
159.09140	15.8
160.07603	2.0
175.08644	9.6
184.07591	2.2
185.07079	13.4
186.05434	2.1
188.13835	2.1
197.07104	7.3
199.08655	8.6
201.06618	2.2
201.10184	1.4
202.07378	1.9
203.08145	99.5
225.06537	7.7
227.08179	8.7
243.07660	6.0
245.09212	20.7
257.16019	10.2
261.08624	1.2
269.61105	1.0
271.07104	28.1
289.08218	41.3
289.18695	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	289.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19688	0.6
53.03959	7.8
54.31831	0.6
57.03439	2.0
61.02925	1.7
61.04042	3.7
69.03428	24.1
69.36563	0.7
71.05000	7.0
71.24955	0.7
72.62150	0.8
73.02931	1.4
81.03421	25.0
85.02910	48.8
95.04948	1.2
97.02264	0.9
97.02894	40.4
99.04453	54.3
103.03945	51.1
103.04646	0.8
107.71433	0.8
108.80007	0.9
109.02878	40.7
109.91742	0.8
121.06502	3.5
127.03912	100.0
140.07097	1.5
145.04912	13.6
149.05963	1.7
153.05479	4.9
169.04970	1.5
175.11191	1.6
187.05994	12.0
193.12207	1.4
211.13277	2.1
217.12195	1.4
253.07199	1.4
253.14346	1.2
271.08014	3.8
271.16461	1.3
289.08554	1.0
289.11206	1.3
289.17960	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	289.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40514	0.2
54.79609	0.1
55.01876	0.3
56.04781	0.2
56.05041	4.1
56.34931	0.1
57.03440	0.3
58.04089	0.7
58.06594	0.2
60.04535	0.2
60.05649	1.6
61.02926	1.1
67.05513	0.2
68.04980	0.2
69.03428	1.4
69.50561	0.2
70.06585	0.9
71.04981	0.3
71.06883	0.2
72.04517	3.1
72.08161	1.6
72.90967	0.2
73.02886	0.2
73.08473	0.2
74.02437	1.8
74.06079	4.5
75.04335	0.2
75.45051	0.1
76.05128	11.1
81.03402	0.8
84.04508	0.9
84.08144	0.9
85.02903	6.1
85.06573	0.2
86.07195	0.2
86.09698	0.8
87.04472	0.2
88.03969	0.2
88.40171	0.2
91.03966	0.3
91.87901	0.2
93.54409	0.1
95.04955	1.4
96.05602	0.4
97.02901	1.8
99.04433	0.2
99.05590	0.4
99.08134	0.2
102.05537	6.4
109.02871	0.8
110.07182	0.7
112.05096	1.4
113.06000	1.0
114.06628	0.2
115.03963	0.3
116.08208	4.3
118.03551	0.3
118.05002	3.6
119.01937	1.7
120.06566	0.8
120.08087	1.3
127.03909	100.0
127.17125	0.2
128.07198	0.2
128.08177	0.4
129.10202	0.3
131.09248	0.2
131.68817	0.2
132.07643	0.2
137.02917	0.3
142.06117	1.2
145.04947	1.1
160.07170	4.0
168.10201	0.3
170.08038	0.3
170.11897	0.2
170.35526	0.2
177.09811	7.6
185.10349	1.1
188.10301	0.4
196.09669	1.0
202.07048	0.3
214.10762	0.3
221.06621	0.4
222.14708	0.3
229.63947	0.2
245.12492	0.3
246.15964	0.3
248.07558	1.9
257.16159	0.2
264.17078	0.9
266.08707	1.2
271.14120	0.3
280.16388	2.2
282.18167	1.1
284.20023	0.2
288.08252	0.2
289.11523	0.9
289.14978	1.1
289.17047	1.0
289.20145	0.2
300.19244	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	289.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25072	0.2
53.03948	0.2
54.17586	0.2
55.01879	0.3
56.05052	1.7
57.07072	0.4
60.05648	0.4
61.02927	0.8
69.03428	1.1
70.06595	0.5
71.05013	0.2
72.04504	1.2
72.08157	0.5
73.02937	0.2
74.02444	0.8
74.06081	1.3
76.05134	3.7
81.03423	1.0
84.04512	0.2
84.08164	1.0
85.02912	6.1
86.09708	1.6
87.04472	0.3
87.10022	0.3
91.03944	0.2
97.02893	1.4
99.04440	0.4
102.05547	2.1
108.04479	3.0
109.02894	0.9
112.05116	0.3
116.08203	0.3
118.05042	0.3
126.05539	2.6
127.03922	100.0
128.07089	0.2
130.05006	0.3
141.06589	0.4
145.04939	1.1
160.07169	1.1
169.06056	0.2
177.09866	1.4
186.11232	0.2
201.36494	0.2
214.10762	0.5
223.04015	0.3
229.08070	0.5
245.27678	0.2
247.09148	0.2
280.16339	1.2
289.10110	0.4
289.14661	1.6
300.19186	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	289.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.2
56.05045	12.7
58.04093	6.0
58.06604	4.9
60.04550	0.9
60.05652	1.5
70.02969	1.1
70.06618	0.8
72.04520	5.1
72.08154	3.8
74.02440	1.2
74.06084	30.9
76.05132	30.9
82.06594	1.5
84.04520	0.9
84.08109	1.1
88.04002	0.9
99.05575	1.4
102.05550	7.6
102.06652	3.7
110.06049	9.3
112.05123	3.8
113.06010	3.8
114.06646	5.6
115.03922	2.0
116.08215	100.0
118.05003	3.1
120.06528	1.1
126.05522	5.9
127.03916	1.9
128.04550	1.4
129.10208	1.0
130.22511	0.8
138.06691	0.9
142.06119	31.0
144.06595	3.5
146.09236	3.9
155.04584	1.1
160.07172	5.3
168.07668	8.9
168.10101	1.3
170.08069	9.4
177.09825	4.4
185.10336	17.8
196.09726	1.0
203.10226	1.0
210.77655	0.8
214.07074	0.9
214.10773	5.1
245.12418	18.7
264.16998	1.2
280.16156	1.2
289.11435	11.5
289.15106	6.0
289.20093	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	289.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21682	0.6
55.05514	0.8
57.07081	5.5
58.04084	0.7
60.04509	3.1
60.05655	30.3
65.49991	0.6
65.50360	0.8
67.05488	0.9
70.06571	1.0
72.04486	1.0
72.08158	1.1
76.05126	11.0
77.78745	0.6
84.08064	0.7
85.06525	0.8
86.09695	1.3
100.05066	2.9
102.06667	56.1
104.36263	0.7
107.04948	6.0
116.04521	0.9
116.07046	4.6
118.05978	2.7
118.06509	5.1
127.03930	1.2
129.10179	1.5
130.06497	6.4
130.10568	1.3
132.08073	1.1
142.06464	1.3
144.08081	12.6
146.06007	60.2
149.02338	24.3
153.01843	5.0
157.13420	0.7
159.09190	9.8
160.07242	4.4
170.05997	23.8
177.09824	0.8
184.08711	27.6
185.07030	4.6
186.11302	1.3
188.07056	100.0
203.08075	0.9
208.08763	0.9
214.10677	6.2
215.07025	32.7
230.07103	1.2
230.09216	20.7
243.06487	37.7
243.12299	0.9
247.11908	9.1
271.06000	21.1
272.10034	3.5
289.12790	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	289.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63184	0.7
56.05045	5.0
57.07085	39.4
58.04092	6.7
59.02490	1.1
60.05656	14.4
69.04559	1.2
70.62787	0.6
71.04967	0.8
72.04512	7.0
74.02448	0.8
74.06087	1.9
76.05131	100.0
84.04525	4.2
85.06543	7.0
89.64692	0.7
96.05627	3.8
97.70770	0.8
102.05552	3.6
102.06670	3.0
112.05080	6.4
114.06657	0.8
116.07114	1.4
116.08235	0.8
117.06626	1.7
118.04970	5.9
120.06599	3.2
127.03963	2.9
127.63172	0.8
129.07747	1.7
130.04971	8.0
131.09294	1.1
135.07700	1.5
140.10748	3.6
146.06032	1.8
149.02345	13.2
153.01865	1.5
154.08698	0.8
156.11310	14.1
159.08855	3.2
160.07176	9.6
168.10219	1.3
170.12967	0.8
177.09818	17.6
184.08774	1.1
186.11220	7.8
188.07106	4.9
188.13930	0.9
196.09787	0.9
214.10732	41.4
214.12653	1.6
215.06967	14.1
241.13048	2.9
243.06534	17.1
257.16055	9.1
271.05927	8.5
289.15164	77.7
289.18723	10.9
314.10425	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	289.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46880	0.7
54.62897	0.7
56.05043	5.6
57.07082	20.6
58.04094	7.2
58.04351	1.0
60.05657	12.9
61.18082	0.6
69.04556	1.4
70.24448	0.7
72.04523	6.5
72.71590	0.6
73.71005	0.7
74.02408	0.8
74.06078	4.2
76.05128	100.0
79.05472	0.7
84.04494	3.6
85.06545	27.5
86.03522	0.7
86.06060	4.5
87.04459	3.2
87.06403	0.7
88.07618	1.5
91.05435	0.8
92.92772	0.6
94.07437	0.9
96.05601	1.4
97.96893	0.7
98.06052	13.0
99.06380	5.9
102.05549	5.8
112.05083	7.9
112.78070	0.8
116.08215	0.9
117.06631	3.7
118.05016	7.8
120.06571	3.4
122.10512	0.9
126.05516	1.0
127.03915	5.7
127.05879	0.9
129.07697	1.4
130.05000	9.4
138.10301	0.8
140.10701	1.0
145.10103	0.9
150.09966	1.7
156.11328	12.3
159.08810	1.3
160.07172	11.8
166.12312	0.7
168.10207	4.1
170.11671	1.3
177.09840	13.2
185.13724	1.5
186.11229	7.8
188.13893	1.1
196.55930	0.8
214.08693	1.3
214.10741	39.7
225.16779	1.3
240.13387	1.5
241.12909	2.9
253.16206	4.3
257.16071	9.8
289.15140	75.8
289.18500	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	289.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.0
54.37751	2.6
55.01896	3.3
55.05513	11.3
57.54776	2.6
61.16771	2.9
67.05505	17.1
69.03432	14.0
69.07066	29.2
71.04991	6.9
72.68359	2.5
73.02933	2.8
79.05487	16.9
79.07386	2.8
81.03444	11.2
81.07061	64.9
82.55928	2.6
83.04977	20.5
83.08635	6.4
85.02918	22.5
85.06533	15.5
91.05493	15.5
93.07049	64.4
95.04974	13.2
95.08600	43.2
97.02891	15.8
97.06535	26.5
99.04455	29.3
99.08112	3.8
103.03938	12.0
105.07005	29.4
107.08610	46.1
109.02898	14.2
109.06526	29.4
109.10159	29.4
111.08110	21.9
113.06024	4.0
119.08585	30.2
121.06505	90.7
121.10156	20.5
123.08046	5.0
123.11710	17.5
125.05979	14.9
127.03922	52.9
127.07539	17.2
131.08546	12.8
133.10126	29.2
135.08032	14.8
135.11649	14.4
137.06044	3.3
137.13304	4.4
139.07576	30.5
143.08571	3.5
145.10138	19.8
145.57642	2.8
147.11684	68.7
149.05986	16.2
149.09651	3.2
149.13275	12.3
151.11195	4.1
157.06499	3.4
157.08594	13.0
157.10118	15.3
159.11685	13.4
161.13261	21.9
163.14835	5.5
165.12758	24.3
169.12274	21.3
171.11632	22.0
173.13255	6.4
175.11169	44.1
175.14830	6.3
181.10175	3.2
189.12811	19.4
191.10632	4.3
193.12245	40.3
199.11197	40.3
207.13820	15.5
211.13206	28.6
217.12210	93.9
229.14293	3.7
235.13278	100.0
240.71243	3.2
253.14287	67.5
271.17462	4.2
271.24097	3.1
289.05823	20.1
289.11462	3.4
289.18082	32.0
289.25275	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	289.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.7
67.05508	5.9
69.03423	2.3
69.07077	9.4
71.05003	9.4
79.05505	9.9
81.07063	40.2
81.98137	2.3
83.04984	13.1
83.08632	4.3
85.02914	4.1
85.06537	4.3
91.05486	4.1
93.07046	46.6
95.04964	14.9
95.08623	25.5
97.02878	2.7
97.06527	33.3
99.04448	20.8
103.03923	3.3
105.07011	25.3
107.04981	2.7
107.08597	27.0
109.02833	3.0
109.06529	35.6
109.10171	5.8
111.08094	25.2
113.06023	3.3
119.08580	16.1
121.06502	89.6
121.10165	2.8
123.04473	4.4
123.08064	5.2
123.11700	11.4
125.05984	16.0
127.03930	4.8
127.07549	18.3
133.10143	19.6
135.08073	11.2
137.05948	5.3
139.07535	33.2
141.05478	2.7
143.07008	5.5
143.08548	2.8
145.10158	3.8
147.08043	3.6
147.11682	66.6
149.13271	3.8
151.11229	9.3
157.08614	14.7
157.10115	24.5
159.06522	2.8
161.13229	18.6
165.12738	32.1
166.07722	3.4
169.12239	26.1
171.11719	21.4
173.09641	3.5
175.11163	56.2
183.99663	2.4
189.12744	30.5
193.12233	52.1
199.11185	44.9
207.13824	17.2
211.13368	32.4
217.12212	100.0
229.14346	4.2
235.13271	91.7
253.14323	77.0
271.15338	5.1
289.05963	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	289.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	7.4
55.72375	0.9
56.05046	100.0
56.86101	0.8
58.06600	0.9
67.05511	7.8
68.05038	1.7
69.07053	1.0
72.04508	2.4
74.02435	6.3
74.03594	1.1
74.06084	88.9
79.05503	12.4
81.07059	5.4
82.06599	2.5
83.08599	2.0
84.04494	4.1
85.02913	1.9
89.04758	1.1
93.07040	1.4
97.10154	5.8
99.04464	1.5
102.05545	22.0
103.03952	1.6
107.08591	8.0
108.08141	1.1
109.02824	1.1
109.10149	5.2
119.08547	1.1
120.06590	23.0
124.11250	18.4
127.03895	6.8
134.09653	1.4
136.11177	1.2
137.20261	1.1
152.10733	8.5
154.12196	1.0
170.11783	11.4
172.13350	1.6
188.12779	1.7
243.17094	1.5
254.13795	9.2
272.14911	30.3
289.06049	6.6
289.17566	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	289.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	3.2
59.04993	1.8
64.66576	2.0
67.05507	3.8
69.07073	4.7
74.32838	1.8
81.07082	7.8
82.30407	1.8
83.05022	2.3
85.06548	3.3
91.05480	3.2
93.07050	7.7
95.04948	2.5
95.08621	12.3
97.06583	1.7
101.03323	1.9
105.07032	10.1
107.08609	8.4
109.10170	3.8
112.42995	1.9
119.08569	11.6
121.10131	10.2
131.08577	3.6
133.10098	9.9
145.10054	3.1
147.11736	8.0
149.13277	2.3
161.13254	3.4
163.14790	2.6
173.13315	3.9
239.90636	2.0
257.18900	3.3
289.17773	100.0
289.21585	20.2
289.25214	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	289.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15883	0.5
53.36922	0.5
55.05515	5.9
65.14694	0.5
65.52804	0.7
67.05512	5.0
69.07072	4.5
73.06564	0.8
79.05492	4.8
81.07055	6.3
83.08621	4.3
91.05470	9.3
93.07067	4.5
95.08588	5.3
97.10191	0.7
98.86898	0.6
105.07025	14.5
107.08581	4.5
109.06496	0.6
109.10186	2.6
116.27883	0.6
116.66496	0.6
117.07025	4.1
119.08582	24.3
121.10139	1.3
123.08053	0.9
131.08543	4.4
133.10133	10.4
135.08066	4.8
143.08548	1.3
145.10138	6.1
147.08076	1.2
147.11679	10.0
149.09605	0.7
153.09074	1.3
155.08505	0.9
157.10146	1.4
159.08037	3.7
159.11655	6.2
160.08760	1.5
161.09547	1.4
161.13249	4.6
163.07535	4.6
171.11691	2.4
173.09579	0.9
173.13235	4.8
175.11203	0.9
183.11676	0.9
197.13179	0.9
239.17940	1.4
257.18994	6.8
271.16827	6.4
289.17975	100.0
289.21570	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	289.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83809	0.5
55.01878	0.6
55.05517	3.6
57.03436	0.6
61.11670	0.4
62.09259	0.5
62.97490	0.5
67.05505	1.1
69.07058	0.8
79.05494	2.4
81.07092	0.9
83.04977	2.8
83.08607	0.5
91.05459	2.2
92.21114	0.7
93.07040	0.5
95.05013	0.8
95.08623	0.8
97.10159	0.7
105.07030	3.0
107.04959	0.9
107.08598	2.3
117.07012	2.6
119.08573	9.9
120.96002	0.5
131.08536	0.9
133.06519	0.8
133.10114	2.1
135.08086	4.0
140.42635	0.6
143.08546	0.8
145.06494	2.1
145.10132	0.9
147.08009	1.9
148.32297	0.4
153.09100	0.9
159.08073	7.0
160.08833	1.2
161.09604	3.1
163.07518	4.0
173.09673	1.1
177.09167	0.6
187.11172	0.7
233.02379	0.6
271.16882	5.9
289.17978	100.0
297.83887	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1795
Annotation	Estriol
Peak:m/z	Relative Intensity
55.01870	0.9
55.05523	8.1
55.05729	1.1
56.05025	4.1
57.03446	15.3
57.07074	5.0
58.07415	1.5
59.50106	0.8
61.14123	0.8
67.05496	6.2
67.10113	0.8
68.58555	0.7
69.07074	0.9
71.08614	1.0
74.06085	10.0
75.06415	1.0
79.05516	7.8
81.03432	1.9
81.07052	6.8
83.08614	4.0
87.04485	1.2
88.07622	27.2
89.07963	7.1
91.05479	8.5
93.07050	4.9
95.04968	1.2
95.08614	2.2
97.06538	1.1
97.10155	4.0
102.05558	1.6
105.07030	5.1
107.04955	6.2
107.08568	4.5
109.06512	4.3
109.10157	2.0
117.06998	1.9
119.08588	9.9
120.06534	2.0
121.06501	2.1
121.10159	1.5
123.08031	1.4
125.04178	1.2
131.08551	4.0
133.06494	1.3
133.10104	3.5
135.08014	8.0
137.09718	1.2
145.10107	2.2
147.08026	4.3
147.11642	1.5
157.10086	1.0
159.08051	24.9
159.11618	1.0
160.08897	1.2
161.09564	2.4
163.07571	1.1
173.09583	3.8
177.09068	2.4
185.09702	1.2
197.13330	1.1
215.14406	2.1
233.15276	9.4
243.17403	2.2
243.25117	15.9
247.16888	1.0
253.15907	1.3
271.16931	19.4
271.24457	1.6
289.17969	100.0
289.25607	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	289.187
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	6.6
69.04565	18.0
71.05006	10.0
72.04504	1.7
74.02465	5.0
74.06084	7.0
84.86027	1.2
88.07642	13.0
96.05624	26.2
96.08149	2.0
98.09687	2.3
98.60027	1.4
102.05546	8.6
110.99837	1.4
113.09638	3.1
116.08220	10.4
126.38858	1.3
128.08240	8.8
132.05339	1.5
138.10274	9.4
139.11090	1.6
140.11810	3.3
156.11327	100.0
188.13884	14.6
240.13519	7.7
244.16347	2.0
257.16092	78.0
289.18704	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	289.187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08445	0.8
56.05049	2.6
57.42031	0.9
58.28870	1.0
68.84354	1.0
69.04549	17.0
71.05001	9.7
72.04514	1.6
72.08163	1.3
74.02439	5.0
74.06074	5.1
88.07625	9.1
96.05618	24.1
98.09708	4.3
98.63361	1.0
99.07972	1.9
102.05543	7.1
103.86622	1.0
105.16055	1.2
110.07188	1.3
113.09653	10.0
115.01350	1.2
116.08205	9.3
118.04993	2.1
120.06573	1.7
128.08206	12.4
138.10251	9.3
140.11855	6.9
156.11324	90.9
172.09676	2.2
176.62332	1.0
181.56935	1.2
188.13954	15.5
189.12506	1.7
202.72031	1.3
212.13777	1.7
240.13429	5.9
244.16620	1.1
257.16071	57.9
289.18701	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.187
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	6.4
58.34085	1.1
69.04560	14.9
71.04984	10.4
72.04510	1.5
72.08142	1.4
74.02428	3.2
74.06065	6.7
85.84423	1.2
87.15430	1.2
88.07618	5.8
92.23068	1.3
93.99119	1.2
95.93909	1.3
96.02459	1.3
96.05617	18.5
96.08112	1.3
98.09672	2.9
99.07906	2.6
100.60593	1.2
102.05553	10.0
113.09613	9.1
116.08198	7.8
128.08191	12.0
138.10245	6.4
140.11839	7.1
142.09714	2.3
156.11317	100.0
162.12169	1.3
174.67615	1.2
188.13896	14.2
190.04457	1.5
212.13890	2.2
233.84596	1.3
234.85364	1.4
240.13412	7.3
244.16536	1.5
257.16071	63.4
289.18686	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	289.216
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
55.05526	10.4
55.62494	1.1
65.39507	1.2
67.05518	9.9
69.07072	9.3
70.24771	1.2
79.05489	9.1
81.07061	17.9
83.08620	6.4
85.06551	2.3
87.96939	1.2
91.05481	24.2
93.06546	1.3
93.07032	11.7
95.08601	10.7
96.03228	1.3
97.10158	2.6
101.06008	1.5
105.07040	42.3
107.08594	8.8
109.10192	5.1
117.07020	6.6
119.08588	38.6
121.10139	2.0
131.08565	10.7
133.10127	49.4
135.11630	2.1
143.08556	1.6
145.10130	21.1
147.11685	36.8
157.10101	1.6
159.11711	9.2
161.09642	1.5
161.13239	7.3
171.11702	6.5
173.13272	6.7
183.11646	3.2
197.13281	3.2
201.12706	1.5
208.96083	1.4
215.18008	5.9
232.11940	1.2
239.17960	7.7
245.00507	1.3
245.44928	1.4
254.29893	1.4
257.18985	19.6
269.76892	1.5
289.21609	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	289.2159
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
55.05076	1.2
55.05519	10.7
57.07073	1.8
61.58777	1.3
63.98860	1.3
66.41755	1.6
67.05524	11.4
67.05799	1.3
69.07072	13.9
70.06577	1.7
79.05486	10.8
81.07065	16.7
83.08609	7.3
85.06512	2.0
87.24857	1.5
88.07640	1.9
91.05469	22.1
93.07034	9.6
95.08617	14.6
98.77259	1.7
105.07034	42.0
107.08578	9.7
109.06496	3.1
109.10162	2.9
117.06986	7.0
119.08578	42.8
121.06479	1.7
121.10129	6.4
122.20370	1.5
126.29866	1.6
126.74113	1.7
131.08539	13.9
133.10133	26.6
135.08031	3.3
135.11659	2.6
135.76839	1.4
145.10139	17.9
147.11685	29.0
147.55260	1.8
157.10094	8.8
159.11694	18.6
161.09631	2.5
161.13269	13.3
163.11142	1.7
169.10120	1.6
171.11615	2.8
173.13235	14.5
175.11151	1.8
175.14767	3.2
183.11650	6.0
186.06265	2.0
191.57007	1.5
197.13264	2.1
215.17955	2.5
229.19397	2.3
239.17938	7.1
257.18967	18.1
271.28036	1.7
289.18124	6.0
289.21591	100.0
289.24890	3.4
289.29218	31.3
303.46460	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	289.2159
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
51.88910	1.3
55.05521	10.3
57.98227	1.3
64.13079	1.2
67.05498	8.5
69.07075	10.2
79.05492	7.0
81.07065	10.5
81.15414	1.3
83.08611	8.0
85.74566	1.3
91.05475	20.8
93.07039	7.2
95.08609	11.9
97.10166	6.2
99.04491	1.5
105.07047	44.8
107.08595	7.1
109.10152	2.6
111.08047	1.5
117.07015	2.5
119.08579	26.1
121.10144	2.9
125.09568	2.0
127.03887	2.3
131.08554	11.2
133.10133	44.6
135.11742	1.7
143.08575	2.3
145.10114	33.3
147.11688	44.4
155.08580	1.9
157.10155	2.9
159.11665	11.2
160.98650	1.4
161.09625	1.6
161.13248	6.1
169.10123	1.4
171.11705	5.8
173.13246	6.9
183.11678	1.8
185.09534	1.3
197.13237	2.2
215.17928	1.8
239.17995	8.5
257.19037	26.7
289.21628	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	289.216
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73061	0.9
55.05522	9.0
58.06608	1.7
64.54905	0.9
67.05503	13.0
69.06753	1.1
69.07076	15.8
72.08102	1.2
73.08405	1.0
79.05497	8.1
80.43359	1.0
81.07056	17.8
83.08620	10.5
85.06544	1.7
88.07632	1.1
91.05489	23.7
93.07057	11.4
95.08600	17.4
97.06480	1.5
103.08700	1.2
105.07035	43.9
106.08676	2.4
106.78326	1.0
107.08565	9.1
109.06499	1.3
109.10153	5.1
117.06998	9.7
119.08578	43.9
121.10128	7.5
129.06989	1.5
131.08557	12.2
133.10130	30.1
135.08002	1.6
135.11694	2.5
137.09686	1.2
143.08563	2.8
145.10098	18.6
147.11682	32.6
149.09558	1.6
157.10114	7.5
159.11690	18.8
161.09602	2.3
161.13243	16.5
163.11195	1.7
166.35939	1.1
167.43260	1.0
169.10106	5.2
171.11687	4.8
173.13266	15.3
175.14783	2.0
181.37929	1.2
183.11682	6.2
185.13242	1.4
197.13260	2.5
211.14648	1.5
215.17882	1.8
226.25331	1.3
227.25623	16.5
229.15898	1.3
239.17958	8.3
251.44875	1.2
257.18961	17.4
289.18036	11.1
289.21588	100.0
289.29199	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	289.2159
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
52.81306	0.9
55.01881	1.3
55.05523	11.2
57.07081	10.1
58.83089	0.9
59.04980	1.2
66.83088	1.0
67.05506	10.3
68.40382	0.9
69.07069	9.7
77.42520	1.0
79.05490	7.7
81.07060	15.5
83.08614	6.3
85.06552	4.4
88.07620	2.5
91.05478	26.2
93.07051	12.1
95.08602	10.6
97.10156	4.9
100.07606	1.3
105.07035	44.6
106.08680	1.6
107.08557	9.3
109.10145	4.4
117.07001	7.1
119.08575	35.7
121.10149	5.1
121.71951	1.1
125.09644	2.0
129.07088	1.3
131.08559	13.9
133.10129	41.7
135.11690	5.6
143.08559	2.1
145.10123	27.4
147.11688	35.6
149.09659	1.1
156.13815	4.3
157.10115	4.8
159.11705	12.6
161.13286	10.2
169.10104	1.8
171.11671	5.7
173.13249	7.0
175.11182	1.7
183.11644	1.7
185.13287	1.5
197.13300	4.1
211.14841	1.2
211.32903	1.1
215.17996	1.1
218.74821	1.1
239.17995	8.5
246.62712	1.1
252.93805	1.1
257.18994	24.5
271.28323	2.0
289.18243	4.4
289.21622	100.0
289.29242	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	289.2161
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
53.66601	1.0
55.05513	7.2
55.75085	1.0
67.05515	9.8
69.07073	10.5
79.05480	5.9
81.07063	14.5
83.08616	8.3
85.06525	2.4
86.56927	1.3
91.05476	27.2
93.07072	9.9
95.08588	12.5
105.07034	37.4
107.08571	3.1
109.10145	5.3
117.07027	6.5
119.08578	47.1
121.10191	3.2
131.08559	12.2
133.10132	29.9
135.11696	1.5
145.10141	17.3
147.11690	27.8
149.09615	2.1
157.10100	6.9
159.11700	20.9
161.13268	14.1
169.10278	1.6
171.11731	5.2
173.13220	9.6
179.88144	1.4
183.11662	2.3
199.15060	1.3
211.14729	2.1
215.18001	1.7
239.17972	7.8
257.19058	12.9
289.21609	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	290.0636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79665	1.1
55.95625	1.1
67.63550	1.2
69.25233	1.1
71.77644	1.2
290.06351	100.0
311.69016	1.4
313.28183	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	290.1708
Annotation	Leu-Ala-Ser
Peak:m/z	Relative Intensity
52.91230	0.8
56.05048	1.2
58.06607	1.5
60.04533	39.9
68.45210	0.8
69.04547	1.3
69.07069	0.8
70.02946	1.0
70.06599	3.9
70.68468	0.8
72.08164	4.6
73.57283	0.8
74.06084	15.3
79.00150	0.9
82.06573	1.5
82.39123	0.9
83.06104	4.9
84.04520	1.1
84.08131	1.6
85.02902	1.3
86.06076	14.2
86.09711	63.3
87.04494	1.5
87.05595	16.1
87.06091	1.5
96.04477	5.1
97.02865	0.9
98.97547	0.8
101.87755	0.8
105.66193	0.8
110.06047	45.3
110.09648	0.8
113.07124	15.6
120.08092	1.2
122.02699	3.4
127.03889	0.8
128.07071	10.2
129.10271	1.9
131.08162	100.0
132.10201	48.8
133.32951	0.8
141.06604	1.8
155.11774	0.9
157.13376	1.8
159.07646	66.3
173.12848	10.0
183.11282	3.5
201.12343	2.0
203.13939	5.8
215.13867	1.1
219.13368	12.5
250.10432	1.0
254.14807	1.3
258.10895	1.2
272.12210	1.6
272.16025	6.3
290.13007	8.7
290.17014	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	290.1711
Annotation	Leu-Ala-Ser
Peak:m/z	Relative Intensity
56.05037	2.1
60.04534	8.4
63.17130	0.4
70.06596	1.0
72.04522	0.5
72.08157	2.1
74.06086	8.1
81.03432	0.5
84.08174	0.8
85.02908	0.5
86.09710	100.0
87.05605	7.3
87.10022	0.4
97.06504	1.0
98.06879	1.9
99.46709	0.5
102.05544	3.5
109.02899	0.5
113.07120	0.9
120.06582	11.4
126.09173	0.8
128.07104	0.5
128.10725	5.4
130.05035	1.0
130.06505	1.5
131.08089	0.5
132.10213	0.9
141.06595	0.8
142.06926	0.9
143.11803	48.5
144.42365	0.4
155.33807	0.5
159.07657	1.1
171.11281	11.0
173.12852	51.6
187.07117	0.8
187.14516	0.8
201.12341	16.6
203.14020	0.9
215.13971	2.7
225.12445	0.5
272.16040	11.5
290.13150	2.5
290.17160	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	290.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05124	0.5
57.07086	4.2
61.05299	0.5
70.06598	7.9
71.08633	2.3
85.10172	0.8
88.07127	0.9
88.07634	24.7
102.09181	15.0
102.09806	0.9
103.14916	0.5
134.11427	0.6
146.11720	0.8
184.20627	2.3
228.23216	79.3
262.55215	0.7
272.25888	4.6
290.26895	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	290.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74267	0.5
56.05046	9.8
57.07084	6.6
58.06604	6.0
60.04543	2.4
62.14726	0.6
71.08630	3.8
74.06081	10.6
80.09592	0.6
80.82430	0.6
85.10184	0.7
86.06049	2.5
88.07633	17.0
104.07129	0.8
108.67307	0.6
118.08655	7.7
122.08138	8.5
123.23228	0.7
125.15919	0.6
174.29636	0.7
198.81744	0.6
242.24763	60.0
267.76251	0.7
272.25851	1.0
290.26889	100.0
297.68256	0.7
312.97562	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	290.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55720	0.5
53.91661	0.5
57.07074	3.9
61.12376	0.5
61.61956	0.5
69.07070	1.0
70.06601	6.7
71.08632	0.9
77.75971	0.6
88.07634	19.2
102.09193	11.6
118.08660	4.1
126.29686	0.6
127.34485	0.6
134.52452	0.6
146.11728	0.9
149.02472	0.6
174.04326	0.7
184.20592	0.8
204.33803	0.6
228.23222	61.7
272.25879	5.1
290.26886	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	290.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07073	3.3
59.96168	0.7
61.75347	0.8
70.06593	6.6
71.08606	1.1
72.67195	0.7
79.63517	0.7
85.10220	0.8
88.07635	18.1
102.09174	11.3
109.07254	0.8
118.08660	16.8
131.77213	0.8
151.86807	0.9
153.75092	0.8
228.23225	55.9
272.25876	7.8
290.26886	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	291.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.7
54.60847	0.9
55.01866	1.2
55.05519	3.9
57.03434	2.0
61.02927	9.8
65.46233	1.0
67.05515	7.9
67.05795	0.8
68.99787	5.9
69.03438	34.6
69.07062	6.9
71.04998	5.5
77.56747	0.9
79.05503	6.7
81.02952	2.0
81.03424	45.5
81.07059	17.5
82.35249	1.0
83.01314	1.2
83.08627	3.9
85.02908	29.8
85.06540	2.2
87.00841	12.3
91.05474	4.0
93.03386	1.4
93.07058	10.7
95.04971	2.2
95.08617	12.8
97.02893	18.3
97.10155	2.0
99.04459	19.2
105.01862	3.9
105.07051	4.7
107.04944	1.9
107.08575	6.5
109.02882	41.9
109.06509	7.0
109.10184	7.7
116.81583	1.0
117.07028	1.6
119.08573	7.4
121.10144	6.9
123.08092	1.9
123.11680	5.7
124.39802	1.0
125.05989	1.3
127.03914	100.0
127.28674	1.2
129.01845	13.6
129.06999	4.5
131.08592	6.3
133.10136	4.7
135.08049	5.2
135.11688	5.3
137.09618	1.7
137.13222	1.7
145.02834	6.5
145.04958	5.9
145.10089	4.5
147.02888	6.7
147.08044	1.9
147.11678	1.9
149.09644	2.2
149.13254	4.0
151.03853	1.3
157.06453	2.4
157.10136	1.8
159.11707	2.0
161.09624	1.3
161.13322	1.2
163.14870	1.1
169.05008	2.4
169.06439	2.0
177.05458	14.8
177.16466	1.3
185.06030	1.4
187.05998	10.0
189.09148	5.6
194.93228	0.9
199.07532	2.3
213.03941	4.8
217.08649	3.9
217.15855	1.1
227.07004	5.0
231.04890	8.7
235.79906	1.2
245.08122	4.5
255.17305	1.3
273.05899	1.3
273.18475	6.8
291.08633	9.3
291.19470	27.6
291.26755	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	291.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	9.8
55.01869	12.6
55.05515	4.6
57.03431	10.6
57.07065	2.9
61.02923	7.8
64.48196	1.8
65.23814	1.8
67.05511	10.7
68.99785	3.0
69.03435	48.5
69.07059	10.9
71.01339	2.7
71.04987	9.9
73.02917	2.1
77.04545	1.9
79.05507	9.2
81.03425	95.1
81.07066	31.4
83.08618	8.0
85.02902	28.5
85.06548	3.0
87.00835	20.1
91.05493	4.1
92.21373	3.0
93.07030	16.9
93.92365	1.8
95.05006	2.5
95.08621	22.6
97.02897	37.6
97.10144	2.5
99.04461	48.3
105.01859	4.5
105.07017	9.9
105.23383	1.7
107.04956	1.8
107.08600	15.8
109.02883	81.2
109.06511	4.2
109.10132	13.7
111.08086	3.8
117.07000	2.9
119.08592	7.5
121.10164	4.0
123.08045	3.7
123.11687	9.2
125.09644	2.8
127.02984	3.8
127.03919	100.0
129.01860	19.2
129.06932	3.2
131.08560	4.6
133.10139	4.3
135.08073	12.4
135.11705	4.5
137.09525	2.8
139.11185	3.3
143.08580	3.5
144.94041	1.9
145.04996	2.4
145.10165	3.8
147.02869	4.3
147.07994	2.8
147.11716	2.2
149.13277	9.6
149.26796	2.2
151.00786	2.1
151.07527	4.1
157.06493	2.4
157.10106	2.2
161.09641	7.7
163.11116	2.4
163.14790	3.9
169.04967	9.2
175.11165	2.2
175.14786	1.7
177.05475	2.5
187.05994	11.7
189.09114	4.5
189.12802	2.6
199.07475	3.6
213.03929	7.3
217.08694	3.7
227.06979	2.8
231.05038	10.6
245.08022	4.2
255.17462	2.3
273.05966	2.4
273.18475	14.0
276.84341	1.9
291.07224	11.2
291.19229	32.6
291.26685	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	291.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65835	0.8
74.11221	0.8
79.05496	1.1
81.07047	1.3
85.25627	1.0
88.96831	1.0
105.07035	0.9
107.08575	1.7
109.06533	1.9
118.35604	0.8
135.08072	3.8
149.09651	1.3
157.06566	1.0
209.04919	1.3
217.08636	1.8
273.18497	1.5
287.65033	0.9
291.08374	100.0
291.19376	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	291.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71988	2.7
56.05034	14.6
56.91061	2.6
58.51856	3.2
62.86339	2.7
69.13451	2.7
70.06594	3.6
71.10364	3.5
82.41588	3.4
84.04514	7.4
85.02888	3.1
86.09710	5.1
91.10465	2.7
110.02438	4.9
116.03381	3.6
119.01904	7.1
126.02986	4.4
128.03409	7.1
129.02977	2.8
131.01884	4.2
139.47084	3.1
143.01906	23.6
144.04027	12.6
155.01897	5.1
161.02943	32.8
162.73289	3.5
173.02972	12.2
185.03011	5.0
185.05547	5.6
203.04071	4.9
234.32190	3.0
242.04146	3.3
274.06711	13.1
291.08719	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43147	4.3
61.12092	5.1
75.68376	4.8
85.02917	7.2
86.09713	7.9
102.05561	9.6
116.07084	6.0
118.10339	4.9
129.06595	10.4
135.55022	5.1
143.01894	6.8
148.40042	5.3
161.02931	7.3
171.07713	10.4
173.03073	5.3
213.97929	6.7
215.99637	6.3
241.97485	5.9
291.08472	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24424	5.3
75.60285	6.0
78.06202	6.0
79.87543	6.4
84.73998	6.1
85.02897	8.0
89.39125	7.8
92.20807	7.2
112.07619	6.6
169.42691	6.6
291.08383	100.0
291.12009	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	291.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71988	2.7
56.05034	14.6
56.91061	2.6
58.51856	3.2
62.86339	2.7
69.13451	2.7
70.06594	3.6
71.10364	3.5
82.41588	3.4
84.04514	7.4
85.02888	3.1
86.09710	5.1
91.10465	2.7
110.02438	4.9
116.03381	3.6
119.01904	7.1
126.02986	4.4
128.03409	7.1
129.02977	2.8
131.01884	4.2
139.47084	3.1
143.01906	23.6
144.04027	12.6
155.01897	5.1
161.02943	32.8
162.73289	3.5
173.02972	12.2
185.03011	5.0
185.05547	5.6
203.04071	4.9
234.32190	3.0
242.04146	3.3
274.06711	13.1
291.08719	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0862
Annotation	Plumericin
Peak:m/z	Relative Intensity
51.19643	0.9
52.70815	0.9
58.35762	1.0
65.03939	6.4
67.05506	2.0
81.07049	2.0
83.04993	1.2
85.06548	1.4
93.03413	14.3
95.04945	1.6
95.08599	1.2
97.02893	13.5
110.03654	2.0
110.07538	1.1
111.04464	1.1
115.05449	1.3
118.72441	1.0
121.02852	5.0
121.10094	1.2
123.04418	1.5
124.05182	4.8
125.06004	5.2
128.06213	2.1
129.07005	24.5
131.08568	1.3
139.03926	1.7
139.05406	1.6
141.07028	10.6
149.02339	4.5
151.03951	10.0
157.06490	44.2
161.06006	3.8
163.07504	1.5
167.03496	3.4
167.04919	9.8
169.06477	19.2
171.07870	1.2
173.06058	1.1
174.06764	4.4
175.07584	1.2
185.05962	19.3
187.07523	7.3
188.08350	9.1
189.09105	49.2
195.04425	4.2
199.07527	42.1
200.04721	2.5
201.09103	2.2
207.06622	1.7
213.05481	10.0
214.06245	5.4
215.07021	8.8
217.08588	54.6
223.03894	1.4
227.07021	34.2
229.08574	1.5
230.96350	1.1
245.08087	66.8
254.84612	1.1
255.06654	1.8
273.07571	7.1
291.08633	100.0
291.26660	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	291.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87797	1.1
62.00495	1.1
63.12296	1.1
65.03930	8.4
67.05494	6.8
69.07039	2.0
72.09911	1.4
75.27849	1.2
78.36887	1.2
79.05451	1.1
79.10857	1.2
79.54007	1.1
81.07062	9.2
83.88317	1.2
93.03407	14.7
93.07030	3.1
95.04987	1.3
95.08601	6.4
97.02882	11.1
107.08575	2.7
109.10149	4.9
110.03642	2.1
111.04410	1.6
121.02933	2.5
121.10117	2.3
123.04450	1.4
123.11739	2.3
124.05234	1.9
125.06013	3.1
128.06229	1.6
129.06981	22.8
132.74272	1.2
137.06035	1.8
139.03946	1.6
141.07025	11.1
147.04419	1.4
149.02330	6.0
149.13249	6.0
151.03925	11.2
157.06482	45.6
163.07538	2.1
167.04919	10.8
169.06444	19.7
174.06691	5.7
177.16295	1.4
183.04451	2.1
184.05191	1.5
185.05983	20.2
187.07578	8.8
188.08298	8.7
189.09091	59.6
195.04424	2.6
197.05988	1.7
199.07510	44.5
200.04680	3.1
201.09102	1.9
203.26495	1.4
213.05473	11.4
214.06168	2.7
215.07013	6.9
217.08583	49.1
223.64215	1.4
227.06984	37.5
233.07990	1.7
245.08055	65.5
245.10510	2.2
255.06557	2.3
273.07397	9.2
291.08594	100.0
291.26831	6.7
294.13928	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	291.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	4.0
57.03431	1.1
57.07082	1.6
59.02867	0.7
59.05011	0.8
65.03941	4.2
67.05513	8.5
68.24265	0.7
69.03435	2.0
69.07078	8.1
71.05029	0.8
71.08612	0.9
79.05490	4.5
81.03413	2.1
81.07059	16.3
83.04945	1.2
83.08628	4.5
85.06555	1.8
90.22112	0.8
91.05472	2.1
93.03404	14.6
93.07037	14.7
95.04968	2.1
95.08617	16.8
95.09211	1.4
97.02889	12.8
97.06532	1.0
97.10163	1.2
101.09727	0.9
105.07020	5.2
106.71527	0.8
107.08598	16.0
109.02872	1.7
109.06548	2.1
109.10139	8.6
110.03668	1.3
111.04443	0.8
111.08078	2.0
119.08591	6.4
121.02859	5.0
121.10145	12.1
121.62540	0.8
123.04407	1.4
123.08041	1.7
123.11687	5.3
124.05209	1.6
125.05991	6.7
127.03887	1.7
128.06224	1.4
129.06999	20.5
131.08549	1.4
133.10126	5.2
135.11676	8.0
137.05957	1.8
137.13229	1.9
139.03955	1.9
139.05441	1.0
141.07016	9.3
145.10147	1.7
147.11670	1.7
149.02336	3.3
149.13266	12.8
151.03906	11.8
151.07582	9.0
157.06482	34.8
161.05984	1.8
161.13136	1.4
163.07541	1.4
163.14807	3.8
167.03380	3.8
167.04922	7.2
169.06490	12.9
169.50865	0.9
174.06746	2.0
175.07568	2.0
177.05530	2.0
177.16405	1.4
183.11787	1.0
185.05998	15.1
187.07562	4.7
188.08350	6.9
189.09106	44.3
189.12762	1.8
189.16299	1.0
195.04356	3.8
197.06038	1.1
199.07530	32.7
201.09087	1.8
203.07019	3.2
207.06516	4.3
207.13841	4.9
212.04623	1.0
213.05481	9.5
214.06212	2.0
215.06964	7.6
217.08591	44.3
221.13304	1.7
227.06993	27.5
229.08572	1.3
233.15201	1.0
245.08060	61.3
255.06660	1.4
273.07605	7.7
273.18475	3.3
273.26093	1.1
274.21317	1.2
291.08615	100.0
291.19595	11.4
291.26773	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	291.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
62.49987	1.4
65.03942	6.7
67.05513	3.9
80.64620	1.5
81.03426	2.9
81.42450	1.3
83.17802	1.4
85.02905	2.5
93.03405	14.6
95.04969	2.6
95.08624	1.9
97.02905	14.4
105.06974	2.2
107.04876	1.6
109.10192	1.9
110.03683	2.0
121.02901	2.9
124.05170	2.4
125.06007	8.2
129.07024	24.0
130.06531	30.6
132.08073	7.2
134.38426	1.5
135.08054	1.8
137.05960	2.1
139.03873	1.9
141.07004	8.6
146.06015	8.3
149.02408	2.9
151.03946	14.5
157.06479	39.3
159.09161	31.7
165.41103	1.7
167.04930	9.1
169.06439	20.1
170.06044	11.7
174.06747	1.9
177.60925	1.8
184.07556	2.5
185.05782	18.8
185.07195	9.1
187.07518	7.5
188.06987	17.8
188.08418	5.2
189.09113	44.6
195.04498	3.7
197.05998	2.1
199.07535	36.6
200.04657	2.6
200.07047	5.9
201.10406	2.7
202.07825	2.4
203.06964	2.6
203.08568	13.5
207.06584	1.9
213.05450	6.5
213.14696	1.6
214.06253	2.4
215.07036	8.1
217.08614	52.6
217.10559	2.7
219.13943	1.9
220.08803	3.9
227.07101	24.4
231.08087	30.7
232.08841	7.3
235.11139	1.9
245.08206	56.2
247.07567	1.8
248.08333	18.1
255.06876	2.3
258.06763	2.3
259.07596	21.4
260.08328	17.9
263.10669	11.4
273.07370	11.1
275.07034	2.0
276.07764	22.1
291.10001	100.0
291.19501	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	291.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	3.0
55.01873	2.7
55.05528	2.4
57.03453	2.1
65.03947	10.1
67.05505	8.2
68.99763	1.8
69.03437	4.4
69.07063	2.3
71.02414	1.7
74.06092	1.5
79.05502	3.6
81.03430	12.9
81.07064	4.5
83.08636	2.2
85.02926	6.6
87.00835	2.6
91.05480	2.5
93.03419	19.7
93.07037	8.3
95.04960	3.6
95.08626	4.9
97.02908	21.9
99.04433	3.8
105.07041	4.8
107.04990	3.1
107.08604	3.1
109.02875	14.0
109.06535	8.1
110.03573	2.3
111.04471	2.8
114.35825	1.8
117.07037	3.0
121.02840	4.4
121.10069	3.2
124.05237	2.8
125.05983	12.9
127.03938	15.2
129.07016	27.7
130.06520	12.2
131.04956	3.7
135.08075	10.8
141.06992	9.8
143.08604	2.7
145.02826	2.8
149.02316	8.2
149.09612	3.7
151.03914	17.4
157.06503	53.3
157.10104	2.5
158.07181	2.3
159.09177	12.0
161.05942	2.5
167.03531	4.1
167.04922	12.2
169.06488	20.8
170.06035	3.7
173.45473	1.9
174.06796	3.6
175.07552	2.2
177.05415	3.7
177.21185	2.2
183.04466	2.8
185.05847	23.1
187.07594	9.8
188.06989	7.3
188.08394	9.2
189.05482	2.3
189.09108	69.2
195.04376	2.9
197.05943	2.7
199.07547	45.3
199.09166	3.4
203.07019	3.4
203.08597	7.7
207.06543	7.4
213.05525	11.8
214.06136	2.2
215.07089	13.0
217.08618	73.4
227.06931	39.4
231.08006	19.6
232.08827	3.8
245.08011	94.5
247.09952	2.4
248.08315	12.7
258.06631	2.6
259.07657	17.0
260.08292	9.5
263.10709	11.6
273.07614	13.2
273.18481	4.2
276.07764	12.0
279.69189	2.0
291.08792	100.0
291.19476	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	291.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36932	0.6
57.87268	0.7
61.04047	1.4
64.49569	0.7
66.00491	0.7
69.03412	1.1
73.02921	1.1
77.61665	0.8
82.99863	0.9
84.04494	1.2
85.02860	0.9
97.02892	1.2
101.00878	13.4
103.03954	1.4
110.02383	3.3
111.05572	12.9
113.00857	4.3
113.03514	0.8
119.01907	17.5
121.72432	0.8
126.03013	8.8
127.01370	5.9
127.02296	1.9
128.01955	0.9
128.03445	12.0
129.02925	1.0
129.06644	1.7
129.07591	0.9
131.01898	18.2
131.37195	0.9
137.02950	1.3
143.01900	47.0
144.04053	8.3
145.02419	1.8
145.03450	8.5
146.02956	3.5
146.04459	6.9
149.02982	2.1
155.01900	19.3
156.02853	3.8
156.04024	3.7
157.03481	8.1
159.01299	3.3
161.02953	91.5
161.05142	4.4
167.01872	4.7
169.03539	14.4
170.01938	1.2
171.05013	2.0
173.02928	37.6
173.04295	1.9
173.05318	1.2
175.04507	1.1
179.03981	1.6
179.06285	1.3
181.02309	1.1
182.00864	1.3
185.02965	20.9
187.04468	3.4
188.03958	4.8
189.06023	4.5
191.04015	7.6
197.02930	4.7
199.03419	6.7
201.06058	5.6
203.03934	16.7
203.07043	0.9
206.05035	3.5
206.19556	1.1
213.06096	1.9
216.06094	5.0
219.07106	6.7
221.05003	1.8
226.74181	1.0
230.05086	12.8
231.07103	1.1
240.19246	0.9
241.05667	1.3
242.04053	7.0
245.05069	5.3
256.03006	15.6
259.06696	8.7
273.05563	4.8
273.08218	1.4
274.03952	4.0
291.09213	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	291.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32940	0.2
52.49738	0.2
55.46128	0.2
65.35288	0.2
70.52660	0.2
71.48967	0.2
74.02437	1.7
85.13790	0.2
88.03989	4.2
104.94970	0.2
114.03765	0.5
116.03486	1.9
126.14796	0.2
130.06528	100.0
134.04489	10.6
134.05490	0.5
138.20602	0.3
154.02777	0.2
156.57523	0.2
157.06438	0.3
176.07121	0.4
189.09099	0.4
199.08763	0.5
203.08580	0.4
217.06396	0.3
220.08998	0.3
231.07985	1.1
248.08292	0.5
259.07498	1.2
260.08429	0.5
273.08649	1.4
276.07800	1.0
283.60037	0.2
291.10086	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	291.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
60.29962	0.8
70.77344	1.0
71.55912	0.9
88.04021	2.1
116.63832	1.1
118.06529	4.6
130.06529	78.4
132.08098	18.0
142.06544	3.7
144.08058	5.3
146.06006	19.3
156.02898	1.2
156.08092	1.7
157.07626	2.3
158.06062	1.4
158.08379	4.2
159.09171	100.0
160.07533	4.7
169.07593	2.1
170.06001	30.5
181.07558	2.0
183.09184	4.5
184.07588	21.3
185.07108	43.3
187.08684	6.0
188.07071	50.1
199.08701	3.9
200.07024	11.4
201.10226	17.9
227.08153	48.0
229.09744	1.4
231.07567	1.8
245.09212	85.0
255.07544	4.0
271.87512	1.3
273.08682	15.4
291.09607	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	291.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87232	0.3
55.01882	0.4
55.05522	0.3
57.03443	0.8
57.32423	0.3
67.05495	0.5
74.18067	0.3
79.05511	1.8
80.79340	0.4
81.03432	0.6
81.07085	0.5
83.08640	0.5
84.87750	0.4
91.05482	0.7
93.07034	0.7
95.08568	0.4
101.30637	0.3
105.07023	0.6
107.04951	0.7
107.08604	1.4
109.02905	0.5
109.06520	2.3
117.07046	0.5
119.08581	0.5
121.06477	0.5
121.10120	0.4
127.03880	0.4
129.07028	0.8
130.06535	2.1
131.08578	0.7
135.08067	3.7
135.11702	0.4
145.10147	0.7
149.09630	0.6
151.03877	0.7
157.06503	1.6
159.09212	0.8
170.06085	0.7
188.06941	0.9
189.06998	0.4
189.09093	0.8
199.07593	0.8
201.10201	0.4
202.07758	3.0
203.08572	11.5
204.09344	0.8
205.06395	0.5
207.07884	0.4
217.08640	1.6
217.15822	0.5
219.08157	2.8
220.08813	4.5
227.06839	0.4
230.07266	1.5
231.08044	28.1
232.08803	7.1
235.11162	1.9
245.09491	2.5
247.07568	2.5
248.08321	19.3
255.70221	0.4
258.06738	2.1
259.07535	24.9
260.08310	19.1
261.08905	0.5
262.09952	1.5
263.10672	12.6
263.13583	0.5
273.08957	0.8
273.18524	1.9
275.07025	2.9
276.04700	0.4
276.05432	0.3
276.07819	21.5
291.10184	100.0
291.19272	4.5
292.65341	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	291.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05049	100.0
58.95555	0.6
64.82254	0.6
69.04557	11.8
72.04511	4.2
74.02443	6.4
74.06072	7.3
79.81667	0.6
84.04511	3.7
86.44955	0.6
91.08152	0.7
93.65533	0.6
95.24881	0.6
102.05551	33.1
104.05000	22.9
113.27127	0.7
130.06528	3.6
138.47452	0.7
139.94154	0.7
143.04538	1.0
159.09183	3.2
184.07687	0.8
185.07112	1.2
188.07135	1.0
190.06134	25.8
200.08247	8.0
227.08179	1.0
240.68275	0.8
242.89148	0.7
245.09238	3.2
274.08243	24.4
291.07883	1.3
291.10880	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	291.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05050	7.4
58.04094	0.8
59.04995	3.1
60.05661	1.2
68.01752	0.8
69.04518	1.5
69.07062	0.9
72.04524	12.2
74.02438	6.6
74.06087	7.9
76.04722	1.5
76.05132	36.0
83.06069	1.3
84.04475	1.0
84.08152	1.2
86.03539	1.2
86.07182	1.6
94.06550	3.8
96.05615	19.4
96.08101	3.4
96.53724	0.7
96.55209	0.9
97.06533	30.6
98.07173	0.8
99.05508	0.8
99.48713	0.8
102.05556	8.7
102.06650	0.8
111.09252	1.0
113.07122	1.2
114.06646	24.1
114.09193	0.7
116.08211	1.1
117.06595	1.6
118.05009	13.3
120.06545	3.4
125.30792	0.8
127.05009	0.9
127.96780	0.7
128.08209	1.0
130.04973	1.5
130.08675	1.3
135.07664	9.2
136.08681	3.0
154.09737	4.8
157.09727	0.8
158.05568	1.5
158.09235	3.0
159.08714	1.1
160.07170	14.3
160.09683	1.0
170.08078	1.2
172.07191	8.1
172.10803	28.0
177.09807	25.6
187.10748	1.1
190.08272	4.7
190.11847	18.2
205.11861	1.6
246.14496	1.5
259.13934	3.7
263.39987	0.8
273.12036	4.3
273.15543	39.7
291.13062	11.3
291.16571	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05045	9.5
58.04074	0.9
59.04993	2.3
64.19306	0.9
69.04585	1.4
70.06567	1.7
72.04522	13.0
74.02435	7.6
74.06070	10.6
76.04709	1.4
76.05128	34.4
79.05453	1.2
88.36597	1.1
94.06535	1.1
96.05618	16.6
97.06532	27.4
102.05539	15.7
105.90268	1.2
112.05061	2.7
114.06655	25.4
116.08227	6.5
117.06612	1.4
118.05020	14.2
120.06597	2.2
128.07132	1.2
128.08133	1.5
130.04898	1.2
135.07660	10.5
136.08681	5.1
140.04588	1.9
154.06129	1.6
154.08568	1.1
156.06451	1.4
158.05608	6.1
158.09222	2.0
160.07147	17.5
160.09671	1.3
170.08055	1.5
172.07184	13.1
172.10779	28.5
174.12256	1.3
177.09837	25.1
186.91714	2.2
190.08231	6.2
190.11885	24.1
255.10030	1.1
259.10434	2.0
273.12192	2.6
273.15558	35.8
291.13022	23.6
291.16605	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.9
55.05516	13.3
57.03445	1.9
57.07077	2.0
57.76673	1.1
65.13848	1.2
67.05515	28.0
69.07077	15.4
71.05003	1.6
77.17380	1.3
79.05501	42.3
81.03426	2.3
81.07063	41.0
83.08618	9.0
85.06549	5.7
91.05495	17.3
93.07042	63.1
93.07633	2.0
95.04950	2.1
95.08610	26.8
97.06506	2.6
97.10156	3.2
97.15486	1.3
99.08145	2.2
100.20425	1.4
102.21668	1.2
105.07037	20.3
107.04946	8.3
107.08598	46.4
109.06533	7.6
109.10153	13.9
111.08034	2.5
117.07019	7.4
119.08605	13.8
121.06527	1.5
121.10133	33.8
123.08098	3.1
123.11724	2.3
129.07039	2.2
131.08549	9.4
133.06477	2.0
133.10100	17.9
135.08086	12.5
135.11688	40.6
137.09647	2.7
143.08560	5.7
145.10123	8.1
147.07996	2.8
147.11700	10.5
149.09654	11.1
149.13242	19.8
149.68712	1.3
157.10124	5.9
159.11673	6.0
161.09634	5.8
161.13229	6.6
163.11192	5.4
163.14806	3.3
171.11688	2.1
173.13319	2.4
175.11150	3.2
175.14783	2.6
185.13182	2.3
189.12808	2.0
203.14238	1.6
217.15810	1.6
245.18869	2.2
255.17436	1.8
259.20541	6.4
263.20026	2.6
273.18466	22.0
291.19412	100.0
291.23148	61.0
291.26852	5.8
306.55963	1.4
311.50018	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	291.1951
Annotation	ML-236C
Peak:m/z	Relative Intensity
55.01865	3.2
55.05514	10.4
57.03436	8.9
59.02000	1.6
67.05505	14.6
68.89297	1.8
69.03439	3.5
69.07053	8.3
71.04992	4.2
72.75243	1.6
79.05509	15.8
81.03423	11.3
81.07059	28.7
83.04990	2.6
83.08633	3.0
85.06593	2.0
91.05474	11.7
93.07032	14.8
95.04960	3.2
95.08606	12.0
105.07034	16.8
107.04964	8.8
107.08616	16.4
109.06532	23.5
109.10108	1.9
117.07016	7.9
119.08605	15.1
121.06517	11.6
121.10140	12.9
123.08068	3.9
123.11735	4.3
125.59196	1.8
129.06990	7.7
131.08559	15.4
133.06487	2.6
133.10115	8.2
135.08063	38.6
135.11713	2.3
137.09624	2.1
143.08575	3.9
145.10138	12.2
147.08018	7.3
147.11693	8.3
149.09639	19.3
149.55656	2.1
157.10176	3.1
159.07997	2.3
159.11705	4.3
161.09627	10.6
163.11171	2.9
175.11171	3.4
217.15887	10.5
219.13995	2.3
255.17439	2.3
273.18564	24.6
291.19553	100.0
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	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
52.69827	0.4
55.01877	0.8
55.05520	5.0
57.03399	0.5
67.05492	3.2
69.03438	0.5
69.07068	2.8
79.05488	4.0
80.62739	0.5
81.07066	5.8
83.04970	0.7
83.08625	3.7
91.05486	2.6
93.07047	5.5
95.04946	2.1
95.08611	3.1
97.10173	4.7
97.74011	0.5
105.07063	4.2
107.04961	0.9
107.08586	4.6
109.06544	0.6
109.10140	1.0
115.12357	0.5
117.07031	1.2
119.08599	6.1
121.06499	0.9
121.10137	2.9
123.08045	0.6
125.09638	2.6
129.06999	0.5
131.08563	3.8
133.06462	1.0
133.10110	1.1
135.08041	0.9
135.11694	2.0
137.69127	0.5
143.08537	0.7
145.10123	3.2
147.08061	3.6
149.13152	0.6
157.10097	0.5
161.09641	0.7
163.11186	0.8
176.38306	0.5
188.06270	0.5
193.84499	0.7
223.13397	1.2
226.48712	0.6
236.84850	0.5
248.03540	0.6
249.14740	2.0
273.18405	5.1
291.19562	100.0
291.23111	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	291.1952
Annotation	ML-236C
Peak:m/z	Relative Intensity
51.02360	1.5
55.01896	11.6
55.02090	1.5
55.05516	10.5
57.03447	12.7
57.07084	2.5
58.28804	1.4
67.05510	17.4
69.07069	3.3
75.18221	1.5
75.87976	1.5
78.84642	1.4
79.05502	23.9
81.07065	28.3
81.60032	1.4
83.08617	3.6
85.06541	3.0
89.95100	1.5
91.05488	17.3
93.07043	21.8
95.05007	2.3
95.08616	14.2
97.06522	2.1
97.10136	2.0
105.07005	13.7
107.04994	2.6
107.08601	25.1
109.06516	60.0
109.10166	7.4
117.07025	11.6
119.08585	13.6
120.18755	1.8
121.06524	3.6
121.10164	12.9
121.30772	1.5
123.08087	2.4
129.07018	2.6
131.08556	13.4
133.10132	7.0
135.08057	100.0
135.11665	2.9
143.08571	3.6
145.10127	13.2
147.08038	2.5
147.11792	2.0
149.09642	7.0
157.10133	3.6
159.11736	2.6
161.09654	11.4
163.11223	2.4
171.11650	2.1
175.11104	1.9
199.15042	2.0
217.15874	16.5
231.08253	1.5
243.25095	3.9
245.19058	2.5
255.17302	2.6
273.18518	23.1
273.25812	1.8
291.10312	3.1
291.19547	85.4
291.26938	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	291.1952
Annotation	ML-236C
Peak:m/z	Relative Intensity
53.30167	0.7
55.01880	1.0
55.05514	1.9
57.03435	2.0
57.07075	1.7
63.00431	0.8
65.65913	0.7
67.05500	5.4
67.68501	1.0
69.07061	2.1
71.08647	0.9
79.05487	6.8
81.07082	6.5
83.08604	1.1
91.05478	4.6
93.07045	7.7
95.04956	1.3
95.08591	4.9
105.07021	5.4
107.04948	2.1
107.08590	6.0
109.06526	1.2
109.10154	4.4
117.06996	1.2
119.08574	4.3
121.10148	3.2
123.08059	1.0
125.09636	1.1
131.08609	3.6
131.46979	0.8
133.10175	1.9
135.08017	1.7
135.11699	1.7
145.10136	3.9
147.08028	3.0
147.11664	2.1
149.09581	1.9
157.10188	1.3
159.11656	1.2
161.09612	1.9
161.13290	1.3
171.11827	1.0
217.16064	0.9
222.18753	0.9
227.17885	1.1
233.15459	3.8
249.18477	100.0
258.15662	1.1
273.18436	10.0
291.19540	62.5
291.23080	3.8
291.26801	2.5
298.11697	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	291.1953
Annotation	ML-236C
Peak:m/z	Relative Intensity
53.03965	1.1
55.01881	2.0
55.05519	14.1
57.03439	2.2
57.07074	8.1
67.05511	60.4
69.03442	1.0
69.07072	19.9
71.05009	1.7
71.08628	6.3
79.05501	29.4
81.07063	87.8
83.04990	4.7
83.08619	15.6
85.06532	2.4
85.10184	2.2
85.90673	1.0
90.01830	1.0
91.05491	17.6
93.07043	36.0
95.04970	2.4
95.08610	85.6
97.06523	4.0
97.10143	10.9
99.08123	1.9
105.07043	15.6
105.86375	1.1
107.04986	2.1
107.08600	22.1
109.06540	2.5
109.09432	1.8
109.10162	44.0
111.04414	1.1
111.08091	6.4
111.11729	1.9
113.09633	1.0
117.07034	2.1
119.08588	17.4
121.06498	4.4
121.10133	28.8
123.04424	1.3
123.08044	4.2
123.11712	17.0
125.09583	1.6
129.07030	1.1
131.08559	6.5
133.06505	2.1
133.10130	22.6
135.08051	3.9
135.11696	28.7
137.09581	2.1
137.13242	9.7
139.07602	1.1
143.08588	2.0
145.10136	7.5
147.08073	4.0
147.11685	11.5
149.09642	5.9
149.13258	11.0
151.07454	1.1
151.11145	2.3
151.14821	4.3
157.10181	4.2
161.09615	5.7
161.13196	7.5
163.11183	1.3
163.14870	1.6
163.58466	1.1
165.09178	1.8
165.16325	1.2
169.15895	1.2
171.11656	2.3
175.11220	2.4
175.14815	4.9
183.61508	1.1
185.13234	1.5
189.12798	1.4
189.16435	1.6
191.17917	1.5
193.12204	2.0
203.14284	1.2
217.19493	1.5
231.21010	1.1
235.16957	1.3
243.25125	4.3
245.19067	6.4
250.25414	1.3
259.20374	1.2
263.20047	4.3
273.18433	14.4
273.25745	17.7
291.19556	59.1
291.23224	19.2
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	291.1953
Annotation	ML-236C
Peak:m/z	Relative Intensity
54.11174	1.3
55.01880	1.7
55.05507	7.7
57.07070	2.7
65.03941	8.4
67.05508	19.1
69.03441	2.4
69.07073	20.2
79.05503	14.7
80.29781	1.4
81.03418	3.4
81.07061	32.3
82.63268	1.5
83.04981	2.7
83.08630	14.0
85.06555	2.5
91.05476	7.6
93.03413	16.5
93.07049	32.6
95.04969	14.4
95.08610	33.9
97.02892	12.3
97.06529	2.1
97.10174	7.4
105.07014	13.0
107.04946	6.8
107.08593	23.1
109.06518	19.7
109.10148	27.1
111.04414	2.4
111.08060	6.1
111.11705	3.6
115.05457	2.6
117.07030	2.6
119.08572	9.1
121.02904	2.1
121.06516	2.4
121.10131	45.6
123.08061	6.2
123.11742	15.3
124.05184	2.4
125.06003	3.3
125.09634	3.0
125.24775	1.4
129.06993	25.0
131.08568	7.1
133.10101	8.8
135.08069	7.5
135.11700	11.3
137.05952	2.8
137.09589	3.2
139.11169	3.7
141.06996	7.6
145.02843	6.8
145.10132	5.7
147.04305	1.8
147.08008	2.6
147.11717	3.5
149.02319	5.6
149.09595	15.0
149.13249	15.2
151.03870	10.8
151.07565	7.4
151.11174	1.8
155.08575	1.7
157.06488	43.5
157.10081	2.3
161.09627	6.3
161.13281	3.6
163.07549	2.4
163.11165	2.4
163.14825	6.5
167.04904	8.5
167.10669	90.8
169.06477	19.1
171.11723	3.2
173.13206	2.0
174.06625	2.0
175.11177	7.6
177.05458	12.9
177.16350	1.8
185.05977	17.6
187.07542	6.1
188.08282	7.2
189.09099	57.0
189.12689	1.8
191.10637	6.1
191.14372	2.7
195.04445	7.0
199.07549	40.5
201.09077	3.5
203.18092	1.7
212.04683	1.7
213.05519	6.1
215.07030	6.1
217.08586	51.0
217.19463	1.8
227.06998	32.9
233.15312	9.8
245.08092	55.8
255.06596	2.1
255.17499	2.3
273.07571	9.3
273.18399	13.3
273.25699	6.3
274.21536	3.0
291.08609	100.0
291.19461	37.7
291.24179	2.6
291.26849	25.5
313.26648	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	291.1953
Annotation	ML-236C
Peak:m/z	Relative Intensity
51.43388	0.8
55.05517	12.0
57.07081	6.0
67.05510	42.3
69.07069	11.3
71.08636	2.3
75.67276	0.9
79.05495	20.5
79.20269	0.9
81.07064	54.9
83.04982	1.8
83.08624	15.6
85.06519	3.5
91.05491	11.6
93.07041	26.4
95.04961	3.9
95.08607	53.1
97.06540	2.0
97.10190	7.3
99.08103	1.6
104.55127	1.0
105.07056	12.6
107.08594	20.2
109.10160	29.8
111.11745	1.6
117.07002	1.7
119.08572	13.1
120.43517	1.2
121.10146	19.2
123.08026	1.3
123.11696	12.8
124.07471	0.9
125.09680	1.5
125.26990	1.1
129.07013	1.2
130.45259	1.0
131.08583	5.1
133.10146	11.3
135.07988	1.2
135.11665	11.2
137.13251	5.7
143.08629	1.3
145.10164	4.2
147.08034	5.3
147.11685	11.4
149.13277	8.0
151.14786	1.3
157.10120	4.2
161.09584	1.6
161.13252	6.7
163.14787	2.0
169.16017	1.1
171.11696	2.3
175.11224	1.0
175.14813	6.5
175.73650	1.0
177.16422	1.4
199.14723	1.2
217.19472	5.2
223.13260	1.3
231.21269	1.3
241.19441	1.6
243.24974	1.2
259.20520	4.8
273.18512	1.7
273.25748	10.3
291.19537	100.0
291.23172	28.8
291.26813	58.1
291.30185	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	291.1952
Annotation	ML-236C
Peak:m/z	Relative Intensity
54.42874	1.2
55.01872	5.0
55.05501	9.1
57.03447	9.8
61.36443	1.2
67.05507	13.0
69.03412	5.6
69.07060	7.5
71.04974	2.6
76.08153	1.2
79.05499	16.6
81.03420	2.4
81.06686	1.4
81.07066	23.2
83.04938	1.4
83.08609	3.0
85.06555	2.1
91.05484	13.9
93.07038	16.1
95.04965	2.9
95.08610	11.5
97.06541	1.9
97.10155	2.5
98.24106	1.4
100.33977	1.2
105.07035	15.7
107.04954	8.1
107.08595	16.6
109.06509	21.9
109.10222	2.1
111.08059	2.2
117.07002	10.6
119.08571	17.3
121.06480	6.7
121.10140	8.9
123.08044	6.5
125.09573	1.7
129.07001	6.4
131.08557	12.8
133.10133	5.8
135.08052	27.0
135.11644	2.0
137.09595	2.7
143.08568	7.3
145.10115	13.0
147.08055	8.2
147.11722	4.7
149.09624	9.2
151.30888	1.3
157.10103	7.4
159.08018	1.8
159.11664	7.3
161.09608	8.7
163.11215	2.1
171.11545	2.0
173.13283	1.8
175.11159	2.8
181.10060	1.5
185.13313	1.4
199.14845	2.0
217.15875	6.3
219.13744	2.5
227.18204	1.5
245.18904	2.7
249.14746	1.5
255.17377	2.3
263.09372	2.1
273.18451	29.6
291.08774	6.1
291.19507	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.9
55.05516	13.3
57.03445	1.9
57.07077	2.0
57.76673	1.1
65.13848	1.2
67.05515	28.0
69.07077	15.4
71.05003	1.6
77.17380	1.3
79.05501	42.3
81.03426	2.3
81.07063	41.0
83.08618	9.0
85.06549	5.7
91.05495	17.3
93.07042	63.1
93.07633	2.0
95.04950	2.1
95.08610	26.8
97.06506	2.6
97.10156	3.2
97.15486	1.3
99.08145	2.2
100.20425	1.4
102.21668	1.2
105.07037	20.3
107.04946	8.3
107.08598	46.4
109.06533	7.6
109.10153	13.9
111.08034	2.5
117.07019	7.4
119.08605	13.8
121.06527	1.5
121.10133	33.8
123.08098	3.1
123.11724	2.3
129.07039	2.2
131.08549	9.4
133.06477	2.0
133.10100	17.9
135.08086	12.5
135.11688	40.6
137.09647	2.7
143.08560	5.7
145.10123	8.1
147.07996	2.8
147.11700	10.5
149.09654	11.1
149.13242	19.8
149.68712	1.3
157.10124	5.9
159.11673	6.0
161.09634	5.8
161.13229	6.6
163.11192	5.4
163.14806	3.3
171.11688	2.1
173.13319	2.4
175.11150	3.2
175.14783	2.6
185.13182	2.3
189.12808	2.0
203.14238	1.6
217.15810	1.6
245.18869	2.2
255.17436	1.8
259.20541	6.4
263.20026	2.6
273.18466	22.0
291.19412	100.0
291.23148	61.0
291.26852	5.8
306.55963	1.4
311.50018	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	291.2315
Annotation	4-Androstenediol
Peak:m/z	Relative Intensity
52.72120	1.9
54.59884	1.8
55.05513	10.3
57.07076	2.2
60.08930	2.1
67.05506	21.3
69.07063	12.6
79.05496	29.2
81.06068	2.1
81.07060	35.2
83.08632	8.4
85.06528	2.3
90.18880	2.2
91.05482	12.2
93.07045	58.3
95.04924	3.4
95.08619	23.1
97.06597	2.9
97.10185	5.4
105.07021	11.9
107.08584	39.9
109.06623	2.3
109.10143	9.2
117.06993	3.4
119.08578	12.2
121.10139	41.3
133.10104	10.8
135.08015	3.0
135.11685	43.3
143.08549	4.6
145.10120	3.3
147.11690	8.2
149.13257	31.9
159.11769	3.0
161.13272	9.3
163.11089	2.2
163.14789	9.7
171.11752	2.6
173.13104	2.7
175.14700	2.8
193.12210	18.1
243.25099	4.3
259.20499	4.2
274.21506	2.8
291.19672	9.5
291.23145	100.0
291.27127	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	291.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72120	1.9
54.59884	1.8
55.05513	10.3
57.07076	2.2
60.08930	2.1
67.05506	21.3
69.07063	12.6
79.05496	29.2
81.06068	2.1
81.07060	35.2
83.08632	8.4
85.06528	2.3
90.18880	2.2
91.05482	12.2
93.07045	58.3
95.04924	3.4
95.08619	23.1
97.06597	2.9
97.10185	5.4
105.07021	11.9
107.08584	39.9
109.06623	2.3
109.10143	9.2
117.06993	3.4
119.08578	12.2
121.10139	41.3
133.10104	10.8
135.08015	3.0
135.11685	43.3
143.08549	4.6
145.10120	3.3
147.11690	8.2
149.13257	31.9
159.11769	3.0
161.13272	9.3
163.11089	2.2
163.14789	9.7
171.11752	2.6
173.13104	2.7
175.14700	2.8
193.12210	18.1
243.25099	4.3
259.20499	4.2
274.21506	2.8
291.19672	9.5
291.23145	100.0
291.27127	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	291.2317
Annotation	5-Androstene-3beta,16beta-diol
Peak:m/z	Relative Intensity
55.01890	1.8
55.05518	17.6
57.07072	6.0
58.61710	1.4
61.66385	1.1
66.86620	1.1
67.05180	2.3
67.05510	46.0
69.07084	19.7
70.55160	1.3
71.08624	6.5
79.05495	30.6
81.07066	73.9
83.04989	2.2
83.08631	19.7
85.06543	2.6
91.05485	14.9
93.06475	2.5
93.07044	52.1
95.04960	3.3
95.08607	69.6
97.06551	2.4
97.10182	9.4
97.82664	1.4
99.08081	2.5
105.07033	17.1
107.08601	29.5
109.10152	34.3
111.08043	2.0
117.06994	5.5
119.08583	19.9
119.56375	1.5
121.10130	29.9
123.08030	2.1
123.11720	11.8
125.09592	2.0
129.07004	1.8
129.46449	1.2
131.08586	7.1
133.10114	18.9
135.08080	2.4
135.11711	16.5
137.13271	6.7
140.43723	1.3
143.08569	2.0
145.10100	5.9
147.08090	5.2
147.11687	15.3
149.09607	2.4
149.13260	14.2
149.32860	1.3
151.11133	1.3
151.14771	2.4
157.10219	1.8
161.09631	3.0
161.13206	10.0
163.14748	9.5
171.11703	5.2
175.11269	1.9
175.14867	11.5
177.16408	2.8
191.17844	1.6
193.19598	1.7
215.04610	1.4
217.19606	9.3
241.19421	2.3
249.14815	1.8
250.25357	1.8
259.20566	7.1
273.18539	2.2
273.25745	10.2
291.19534	100.0
291.23175	61.0
291.26816	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	291.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20628	1.7
55.01875	3.4
55.05509	16.5
57.03447	3.2
57.07080	3.7
67.05505	27.3
68.82290	2.2
69.07077	16.6
71.04975	2.0
71.08636	2.4
77.85520	2.0
78.14865	2.3
79.05499	29.5
81.07064	33.6
83.08635	10.5
85.06549	9.0
89.00282	2.3
91.05485	24.5
93.07037	63.8
95.04968	12.6
95.08606	31.0
97.06509	2.6
97.10176	5.1
101.23016	2.2
105.07026	23.3
107.04919	9.8
107.08597	39.1
109.06506	13.3
109.10158	17.1
111.08070	2.8
117.06981	4.3
119.08576	24.1
119.09299	2.1
121.06519	5.1
121.10126	36.2
123.08072	5.2
129.06990	5.1
131.08545	11.0
133.10100	20.5
135.08058	23.7
135.11652	17.2
137.09584	5.4
143.08533	10.8
145.10135	17.0
147.08087	3.9
147.11653	24.8
149.09618	5.2
149.13255	15.8
153.14119	2.5
157.10052	5.0
159.11729	3.9
161.09602	11.9
161.13264	13.2
163.11133	2.7
163.14799	5.3
171.11691	16.1
173.13176	3.1
175.11151	9.2
175.14819	5.2
185.13283	4.4
189.12694	10.2
193.12260	3.3
199.14894	4.0
203.14398	3.0
210.62212	2.4
217.15894	3.7
217.19528	18.5
221.15347	3.4
235.16835	4.7
241.19482	15.1
245.18961	2.3
259.20630	24.9
273.18420	23.6
291.19525	51.6
291.23184	100.0
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	4-Androstenediol
Peak:m/z	Relative Intensity
53.03955	1.2
55.05281	1.8
55.05505	12.8
57.07079	2.2
57.46712	1.4
67.05173	2.9
67.05508	40.8
69.07056	15.2
79.05499	64.4
81.07057	56.7
83.08628	15.9
85.06601	1.9
91.05482	15.8
91.61402	1.6
93.07040	94.4
94.88074	1.7
95.04952	2.4
95.08610	47.1
97.10171	7.8
105.07048	17.8
107.08597	64.9
109.10150	24.0
117.06981	1.8
119.08580	16.5
121.10135	57.5
123.08053	2.5
123.11689	11.3
128.64027	1.8
131.08615	2.2
133.10153	15.7
135.11684	53.4
135.71736	2.0
143.91147	1.7
145.10152	2.6
147.11714	11.2
148.82990	1.6
149.09586	1.8
149.13255	43.5
151.29991	1.7
157.10129	2.8
159.11711	3.3
161.13235	10.5
163.11055	2.3
163.14801	9.6
173.13251	1.8
175.14825	7.3
177.12877	1.9
177.16338	2.1
185.13266	2.5
193.19733	1.7
217.19647	1.8
230.20261	1.7
242.52730	1.9
243.25092	3.3
249.18456	2.7
250.25230	3.1
259.20575	7.2
273.18417	2.4
273.25677	2.1
291.19690	8.9
291.23178	100.0
291.26874	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	291.2318
Annotation	4-Androstenediol
Peak:m/z	Relative Intensity
55.05511	9.9
67.05500	24.6
67.11794	1.3
69.07066	14.5
69.61768	1.6
69.85632	1.5
79.05497	52.3
81.07066	38.0
83.08619	7.8
85.06548	2.4
87.53597	1.9
91.05479	12.2
93.06483	3.6
93.07047	92.0
95.04978	3.2
95.08607	31.5
97.06560	2.3
97.10152	1.9
105.07022	12.2
107.08595	54.2
109.10189	15.0
119.08595	14.5
121.10150	50.3
123.11690	2.9
133.10109	16.0
135.11690	60.4
145.10121	2.5
147.11687	9.8
149.13274	32.2
159.11665	4.3
161.13235	2.6
163.14836	11.5
171.11719	2.1
175.14810	2.4
189.12639	2.4
210.95139	1.9
217.19586	1.9
222.17407	1.8
224.09291	1.7
241.19562	4.3
259.20572	8.2
278.40955	1.7
291.23190	100.0
291.26511	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	291.2316
Annotation	4-Androstenediol
Peak:m/z	Relative Intensity
51.01562	2.0
52.99305	1.8
53.03976	2.9
55.05514	13.1
55.62262	2.3
56.01941	2.2
57.07082	3.4
59.10046	2.5
67.05522	25.2
69.07063	14.5
70.00185	2.3
79.05507	32.2
81.07066	40.1
83.08603	3.6
85.06561	3.5
91.05480	14.5
93.07050	66.3
95.08620	28.8
105.07021	26.1
107.08603	37.1
109.10162	5.5
112.46368	2.9
119.08588	30.8
121.10164	28.6
123.08093	3.1
131.08572	6.0
133.10124	19.6
135.11694	18.1
145.10146	4.0
147.11705	16.2
149.13242	12.4
159.11742	4.5
161.13277	14.8
163.14812	15.0
165.48941	2.5
171.11696	11.7
175.14804	16.0
177.16220	3.4
185.13252	3.7
189.12733	4.3
217.19537	16.0
235.17078	3.0
241.19644	5.3
259.20544	15.8
291.23203	100.0
291.26532	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	291.2317
Annotation	4-Androstenediol
Peak:m/z	Relative Intensity
55.01864	1.3
55.05515	16.4
57.03432	1.1
57.07090	8.4
58.75808	0.9
65.52145	1.1
66.05215	1.0
66.73824	0.8
67.05507	67.8
69.03421	1.1
69.07066	23.4
69.41602	0.9
71.04996	1.5
71.08626	4.8
73.06571	1.0
79.05021	1.1
79.05494	44.1
81.07058	100.0
83.04979	1.9
83.08623	19.4
85.06540	2.5
85.10178	1.4
91.04908	1.3
91.05466	15.6
93.07040	74.6
95.04967	1.0
95.08603	95.4
97.06542	4.4
97.10172	10.9
99.08071	4.2
104.43583	1.0
105.07036	18.9
105.20642	1.0
107.08593	46.4
109.06509	2.2
109.10152	55.9
111.08044	2.0
111.11694	2.0
117.07003	2.1
119.08578	19.9
121.10134	46.7
123.08077	1.9
123.11686	17.6
129.07013	1.1
131.08548	4.3
133.10136	19.3
135.08075	1.5
135.11676	44.4
137.09544	1.4
137.13251	5.2
143.08530	1.3
145.10115	4.0
147.11682	17.9
149.13252	22.7
151.11179	1.5
151.14862	1.5
157.10098	1.9
159.11705	2.4
161.09557	1.4
161.13229	11.4
163.11122	2.1
163.14789	8.7
165.16426	1.3
171.11694	1.6
173.13358	1.3
175.11168	1.8
175.14786	9.8
177.12642	1.7
177.16370	2.5
185.13260	4.2
189.16252	1.2
191.17921	1.5
199.14719	1.1
213.16258	1.1
217.19481	4.4
231.21053	1.3
241.19481	4.8
250.25186	3.6
259.20508	7.1
273.25748	16.0
279.30038	1.2
291.19617	13.7
291.23166	74.3
291.26782	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	291.2316
Annotation	4-Androstenediol
Peak:m/z	Relative Intensity
50.37004	1.9
55.01879	2.9
55.05509	13.4
55.50577	2.0
63.09295	1.8
67.05506	35.0
69.07069	20.5
75.36977	2.0
77.12711	2.1
79.05496	75.7
81.07056	46.9
82.74332	2.3
83.04971	2.4
83.08631	16.6
91.05482	25.1
93.07040	100.0
93.07641	3.3
95.04953	4.6
95.08601	37.9
97.06526	3.9
97.10165	5.1
105.07056	12.0
107.08586	75.0
109.06472	8.4
109.10152	14.0
117.07016	4.4
119.08581	15.4
121.10139	57.3
123.08037	2.9
123.11709	3.3
131.08574	9.3
133.10121	20.1
135.08034	23.6
135.11679	75.8
137.09590	3.8
139.55775	2.1
143.08556	2.6
143.51416	2.2
145.10085	8.8
147.11708	9.8
148.75856	2.3
149.09639	8.6
149.13231	29.6
154.66957	2.0
157.10173	4.4
159.11641	3.7
161.13231	9.5
163.14803	9.0
171.11705	4.4
175.14835	3.2
177.12650	2.7
178.42419	2.2
185.13281	4.3
199.14828	2.6
217.15892	3.1
217.66632	2.5
241.19469	8.9
259.20459	8.5
271.43784	2.4
273.18460	2.8
291.19614	15.9
291.23105	96.7
291.26501	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	291.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83054	1.9
55.05524	5.7
57.07076	4.2
67.05511	53.0
69.07070	13.4
71.08621	2.8
75.96828	2.1
79.05495	10.8
81.07065	81.1
83.08624	11.0
85.06551	3.1
89.07610	2.5
91.05480	14.1
93.07050	21.2
95.05000	3.8
95.08614	78.4
97.06519	2.5
97.10174	5.2
105.07012	9.6
107.08601	15.7
109.10168	45.3
109.58542	2.3
111.08131	2.6
111.14349	2.4
119.08579	8.6
121.10135	11.6
123.07984	2.8
123.11707	21.7
125.09691	3.0
133.10132	5.9
135.08034	3.7
135.11690	10.4
137.13278	4.1
147.11696	4.9
149.13245	10.3
159.11371	2.5
161.13232	3.9
163.14778	3.0
175.14851	3.4
175.26115	2.7
243.25229	3.4
273.18533	3.3
273.25787	17.5
291.19861	16.6
291.23529	4.1
291.26849	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	14.4
56.31687	1.1
57.03443	15.5
57.07066	7.3
67.05510	26.9
68.95222	1.4
69.07073	42.9
70.04211	1.4
71.08621	1.9
76.65254	1.5
77.39497	1.4
79.05497	14.8
81.03416	1.9
81.07063	80.5
83.08613	21.9
85.06549	26.1
91.05471	15.8
92.21142	5.1
93.07042	41.2
95.04939	1.7
95.08000	2.6
95.08609	80.4
97.06512	2.0
97.10151	15.8
99.08111	14.4
105.07026	19.0
107.04950	2.2
107.08597	62.7
109.06495	10.2
109.10162	51.3
111.08071	3.4
113.09614	2.8
117.07001	8.8
119.08571	17.6
121.10149	47.1
123.08028	1.6
123.11689	23.3
125.09637	2.1
127.03957	2.0
129.06990	7.5
131.08568	9.5
133.10133	18.5
135.08040	8.0
135.11694	35.4
137.13263	8.1
139.11182	2.3
143.08574	1.8
145.10121	8.8
147.08041	6.5
147.11714	12.0
149.09578	2.3
149.13257	50.2
150.00557	1.6
151.07544	3.3
151.14821	3.2
157.10118	6.8
159.11679	3.1
161.09598	3.1
161.13232	8.3
163.14833	42.7
171.11665	2.5
173.04398	1.5
173.13245	1.6
175.11159	2.9
175.14775	1.6
177.16408	12.4
185.65044	1.4
189.09204	1.8
189.16377	2.7
191.17946	6.3
194.88634	1.3
195.17500	1.9
201.12738	1.7
203.17982	3.0
209.18951	6.4
217.08540	2.4
217.15923	7.5
217.19537	2.4
218.46515	1.4
221.18921	6.3
235.20528	1.7
261.54880	1.4
273.18488	22.6
273.25827	3.5
291.08823	2.2
291.19321	18.5
291.26813	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	291.2681
Annotation	Geranylgeraniol
Peak:m/z	Relative Intensity
55.05520	3.5
57.03421	1.6
57.07076	8.5
60.73639	1.8
64.56274	1.8
67.00313	1.7
67.05512	55.6
69.07067	17.9
71.08621	7.5
71.12470	1.6
74.66120	1.6
79.05497	16.4
81.07064	89.1
83.08610	10.1
85.06549	2.2
91.05460	7.4
93.07034	19.1
95.08604	78.2
97.10158	7.9
105.07030	7.8
105.38712	2.0
106.85106	1.9
107.08604	13.8
109.10174	44.6
111.08061	2.3
119.08575	8.1
121.10159	21.3
123.07971	2.3
123.11701	19.6
124.31788	1.9
133.09044	1.5
133.10112	14.7
135.11700	10.5
137.13206	4.1
147.11690	7.9
149.13223	7.9
161.13287	10.2
165.16335	2.7
175.14841	8.5
189.16272	2.8
189.94897	1.9
243.25116	2.9
273.25742	20.2
291.19681	6.9
291.23483	6.0
291.26813	100.0
306.60654	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	291.268
Annotation	Geranylgeraniol
Peak:m/z	Relative Intensity
55.05514	7.6
57.07082	2.5
59.40546	1.4
64.23488	1.4
64.56657	1.6
66.10378	1.4
67.05510	41.8
69.07068	13.1
71.08632	3.2
73.53676	1.3
76.78419	1.3
79.05485	9.2
81.07066	76.6
83.08620	10.2
91.05470	6.8
92.20952	2.2
92.21431	2.5
93.07049	11.4
95.08616	66.2
97.06529	2.1
97.10151	7.6
99.08081	2.8
105.07053	3.1
107.08578	9.6
109.10156	32.7
119.08576	9.0
121.10135	16.4
121.10873	1.7
123.11734	15.0
133.10152	9.8
135.11700	8.7
137.13254	8.4
146.02721	1.5
147.11674	2.0
149.13272	6.1
151.14714	2.5
161.13179	2.9
163.14732	2.3
175.14803	7.1
177.16394	2.3
189.16208	1.9
191.18002	2.3
193.19559	2.5
273.25818	15.2
291.26810	100.0
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	Unknow
Peak:m/z	Relative Intensity
55.01886	3.9
55.05334	2.0
55.05520	32.2
57.03436	10.7
57.07067	13.8
60.84599	2.1
65.03946	3.1
67.05502	40.9
69.07071	44.7
71.04984	3.9
77.03936	2.4
78.35205	2.0
79.05504	22.9
81.03416	2.1
81.07055	79.7
83.04981	5.4
83.08620	22.3
85.06544	11.8
86.09301	1.9
91.05478	20.8
93.03379	4.1
93.07046	65.1
95.04958	4.1
95.08602	80.1
95.83244	2.3
97.06500	3.1
97.10173	14.1
99.08096	2.7
105.07036	29.5
107.04992	3.8
107.08583	67.3
107.09261	3.9
109.02880	3.6
109.06512	32.9
109.10149	46.1
111.08111	4.0
111.11693	2.8
113.06009	2.6
117.07001	12.5
119.08554	28.9
121.10136	64.9
123.08077	4.8
123.11695	22.8
125.09632	3.8
126.12337	2.5
129.06989	11.7
131.08572	13.7
133.06483	2.7
133.10132	26.5
135.08069	15.3
135.11685	31.3
137.13264	10.4
141.21904	2.2
143.08603	3.9
145.10065	18.5
147.08076	3.7
147.11674	13.8
149.02289	2.6
149.09639	11.8
149.13263	60.4
150.90158	2.3
151.07550	17.3
151.11252	2.8
157.06502	10.1
157.10149	9.9
159.11710	9.6
161.09633	4.7
161.13254	10.9
163.11241	3.9
163.14777	15.2
169.10187	3.5
171.11673	3.7
173.13275	3.0
177.05504	3.2
177.12616	3.5
177.16443	3.0
181.10262	3.0
183.11684	3.6
185.05916	3.4
185.13268	2.6
189.09036	17.6
189.12733	3.7
189.16373	2.7
191.17816	3.0
195.11734	4.3
199.07607	4.8
207.11801	4.6
207.13831	12.0
217.08569	10.1
221.13208	12.9
227.07016	3.9
235.14810	5.7
235.20499	2.3
245.08133	13.5
261.16318	4.2
273.18488	26.6
273.25650	11.4
276.18674	4.4
291.08545	26.4
291.19696	81.9
291.20847	83.6
291.26718	100.0
306.78000	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	291.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49673	1.3
53.51166	1.3
55.05510	9.9
57.07072	3.9
64.99310	1.3
67.05518	18.6
69.07068	29.5
79.05490	12.5
81.07063	57.7
82.02060	1.6
83.08635	13.1
85.06546	16.6
91.05476	7.0
93.07043	33.8
95.08614	66.4
97.10155	9.7
99.08080	8.8
105.07037	9.7
107.08599	48.2
109.10152	48.2
111.11722	3.4
113.09636	3.5
119.08578	14.1
121.10151	39.9
123.11711	27.2
133.10155	15.4
135.11694	34.6
137.13235	7.6
147.11700	9.6
149.13245	43.2
149.14383	1.8
161.13243	3.8
163.14790	30.8
163.17773	1.6
175.14790	6.3
177.16301	12.7
181.15808	2.3
185.44603	1.9
189.16350	3.6
191.17940	8.1
192.38983	1.7
199.00342	1.7
203.17996	3.8
207.17386	2.9
209.18874	1.9
217.19446	5.7
221.18942	7.4
235.20483	3.2
273.25845	3.3
286.41003	1.7
291.19922	2.0
291.26794	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2681
Annotation	Geranylgeraniol
Peak:m/z	Relative Intensity
52.03697	1.2
53.49563	1.5
55.05513	16.9
56.65102	1.4
57.07075	9.2
67.05508	74.6
69.07060	18.9
69.52065	1.5
71.08616	7.0
73.97492	1.5
79.05074	1.9
79.05499	30.7
81.07059	100.0
83.08623	16.5
84.49954	1.4
85.06543	6.7
89.06018	2.5
91.05471	16.4
93.07042	55.5
95.04971	6.5
95.08608	91.5
97.06517	6.1
97.10154	9.6
99.08084	2.6
105.07032	18.3
105.55907	1.4
107.04942	1.9
107.08604	40.8
109.06512	3.4
109.10156	49.0
119.08598	21.4
121.10147	37.0
122.74091	1.4
123.11704	20.8
131.08546	3.1
133.10114	25.0
135.08057	7.1
135.11697	28.7
137.13235	8.0
145.10129	3.4
147.07971	2.0
147.11664	20.6
149.09625	2.0
149.13255	18.7
151.14769	2.7
157.10210	2.5
159.11621	2.5
161.13263	14.9
163.14818	9.4
171.11684	3.3
175.11127	2.4
175.14813	10.2
177.16496	1.7
185.13272	3.0
189.12733	2.1
193.19556	2.7
193.94237	1.5
203.14369	1.6
217.19585	11.4
220.58765	1.4
231.20975	2.9
241.19493	5.8
243.24995	1.6
250.25214	1.7
259.20563	8.7
271.70352	1.5
273.18280	2.3
273.25745	15.8
291.19595	21.7
291.23190	73.7
291.26855	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	291.268
Annotation	Geranylgeraniol
Peak:m/z	Relative Intensity
55.05512	8.7
57.07090	8.4
67.05510	56.7
69.07064	15.9
71.08604	5.6
73.11106	1.1
79.05501	17.0
81.07065	73.9
81.07549	2.5
83.04975	1.2
83.08632	10.5
85.06512	5.4
91.05455	8.0
91.75227	1.1
93.07048	26.6
95.08610	76.5
97.06523	1.6
97.10152	8.9
99.08085	2.1
105.07027	7.7
106.08058	1.1
107.08595	15.2
109.06499	1.7
109.10154	44.7
111.08103	1.5
111.11745	1.5
113.09629	1.5
119.08555	7.8
121.10138	20.8
123.11694	17.4
133.10121	11.8
135.11702	11.3
137.13248	9.7
147.11705	10.1
149.13194	6.1
151.14827	1.7
161.13208	6.2
163.13016	1.3
163.14737	2.5
165.12637	1.4
165.16360	1.3
175.14743	6.4
177.16412	1.7
185.13278	1.2
191.17917	1.9
211.00391	1.2
259.20532	2.2
273.25751	18.1
291.19635	5.4
291.23175	16.1
291.26764	100.0
295.44196	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	291.268
Annotation	Geranylgeraniol
Peak:m/z	Relative Intensity
55.05511	7.7
57.07072	8.0
59.65758	1.3
63.78308	1.3
67.05511	58.1
67.10265	1.3
69.07078	13.4
71.04983	2.2
71.08633	3.1
71.80302	1.2
79.05492	10.5
81.07065	79.1
83.08643	13.2
85.06532	2.3
85.10200	1.7
90.00324	1.4
91.05464	8.3
93.07053	18.9
95.08611	72.8
97.10152	3.2
99.08086	2.5
105.07033	7.5
107.08582	14.1
109.10165	40.1
111.08030	1.6
119.08581	6.1
121.10164	16.9
123.11706	22.2
133.10127	6.9
135.04254	1.5
135.11667	12.4
137.13252	6.3
147.11725	5.1
149.13278	2.5
151.11253	2.2
151.14848	5.0
161.13258	7.2
163.14825	1.8
175.14937	1.8
184.70837	1.5
189.16486	2.7
191.17897	2.5
238.56717	1.7
243.24944	1.4
260.39905	1.4
273.25729	18.1
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	291.268
Annotation	Geranylgeraniol
Peak:m/z	Relative Intensity
55.05506	8.5
57.07071	4.0
67.05510	62.6
69.07067	14.5
71.04933	1.5
71.08625	4.2
77.70427	1.6
79.05515	15.0
81.07063	81.1
83.08617	13.9
85.06528	3.1
85.10163	1.7
91.05478	8.3
93.07037	20.8
95.08606	89.0
97.06539	3.5
97.10152	10.3
99.08079	3.5
105.07039	10.9
107.08605	14.8
109.06536	2.2
109.10160	46.4
111.08064	2.1
119.08550	9.8
121.10149	17.7
123.11697	16.3
133.10133	8.8
135.11708	15.4
135.12656	1.8
137.09653	3.2
137.13242	7.5
139.50623	1.8
147.11678	8.6
149.13228	7.0
151.14746	2.4
161.13272	6.5
175.14763	3.7
191.17935	3.1
239.48454	2.0
243.25092	2.2
273.18430	6.5
273.25735	19.6
291.10062	3.9
291.19852	17.2
291.23431	6.6
291.26797	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2681
Annotation	Geranylgeraniol
Peak:m/z	Relative Intensity
55.01864	0.6
55.05284	0.8
55.05523	14.3
56.28127	0.7
57.03434	0.7
57.07087	6.9
57.37766	0.6
59.86230	0.7
67.05510	54.1
69.03449	0.9
69.07069	16.8
71.04991	1.9
71.08641	3.5
71.65441	0.6
76.16994	0.7
79.05498	24.1
79.44546	0.8
81.07063	77.3
83.04952	1.0
83.08626	15.4
85.06541	4.1
91.05475	14.8
92.21484	0.8
93.07040	37.7
94.51604	0.7
95.04969	1.4
95.08607	69.6
97.06539	5.1
97.10158	8.9
97.57092	0.7
99.08119	1.8
105.07039	19.2
107.08601	23.0
109.06541	1.6
109.10159	35.3
111.08080	3.4
111.11711	1.7
113.09637	1.1
117.07042	2.9
119.08575	16.5
121.06505	1.3
121.10147	22.3
123.08037	1.5
123.11705	17.3
125.09615	1.4
129.06975	0.9
131.08542	4.9
133.10118	14.1
135.08061	1.5
135.11703	13.6
137.09633	1.3
137.13283	7.3
140.73378	0.8
142.39185	0.9
143.08562	1.1
145.10124	3.6
147.08051	3.3
147.11687	12.8
149.09656	1.2
149.13275	9.1
151.14798	1.7
157.10132	1.3
157.59116	0.8
159.11708	1.1
161.09645	1.8
161.13258	11.6
163.14813	6.1
165.16374	1.0
171.11632	1.8
175.11259	2.7
175.14777	6.9
177.16374	1.5
179.17792	1.1
185.13319	3.2
189.12718	1.2
191.17949	1.4
193.19461	1.5
217.19519	6.0
221.15382	0.9
241.19565	1.6
249.14923	1.5
250.25397	1.1
259.20444	3.5
273.18506	2.9
273.25723	14.9
291.19543	100.0
291.23184	29.7
291.26816	78.2
291.30215	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	291.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	18.0
56.58720	1.1
57.03185	1.3
57.03445	23.1
57.07078	9.2
64.62308	1.1
67.05510	33.7
69.03429	1.2
69.06696	1.8
69.07069	36.6
71.04970	1.3
71.08630	2.5
79.05491	18.4
81.03413	1.3
81.07062	86.7
83.08630	16.7
85.06543	24.4
91.05469	15.0
93.06488	2.1
93.07042	44.1
95.04967	1.8
95.08608	82.4
97.10193	11.5
99.08083	14.6
105.07034	18.6
107.04960	2.1
107.08596	67.9
109.06530	12.9
109.09434	2.6
109.10154	51.5
111.08080	2.9
111.11698	4.8
113.09674	4.4
117.07034	8.6
119.08568	18.7
121.10144	53.9
123.08102	1.7
123.11710	25.2
125.09585	2.4
129.07005	5.4
131.08578	10.7
133.10139	13.7
135.08064	5.3
135.11699	41.7
137.13257	6.6
143.08569	2.5
145.10092	8.8
147.08028	6.2
147.11642	12.6
149.12131	2.5
149.13255	53.0
151.07603	1.7
151.14758	1.9
157.10127	6.6
159.11613	1.7
161.09633	2.1
161.13234	8.5
163.14815	40.5
171.11732	1.9
173.09583	1.5
173.13321	1.5
175.14838	2.7
177.16367	17.0
181.15732	1.4
189.16426	2.3
191.17960	7.3
195.17413	2.9
201.12868	1.5
203.17931	4.7
209.19029	9.5
217.08482	1.2
217.15947	11.0
217.19455	5.8
221.18941	2.3
235.20547	2.0
245.08197	1.4
255.17409	1.9
273.18509	17.1
273.25781	4.7
282.68167	1.3
284.07065	1.3
291.08710	2.0
291.19537	18.3
291.26810	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.7
55.05523	21.4
57.07087	23.6
59.04997	2.4
67.05502	24.6
69.03430	2.0
69.07068	34.3
70.01849	1.6
71.04981	4.1
71.08610	3.3
78.33817	1.8
79.05488	22.0
81.03436	2.6
81.07063	94.2
83.08620	21.4
85.06541	35.3
91.05484	8.5
93.07034	43.5
95.04977	4.3
95.08608	82.1
97.10160	9.8
99.08083	10.8
105.07037	18.3
107.04937	2.6
107.08597	62.3
109.06514	2.6
109.10155	70.1
109.72204	2.5
111.08057	9.4
111.11714	3.0
117.07003	2.1
119.08592	27.1
121.10139	43.6
123.08059	11.0
123.11714	35.7
125.09583	4.1
129.06995	3.1
131.08553	4.1
133.10124	16.2
133.71428	1.8
135.08076	4.5
135.11705	39.7
137.13252	7.7
145.10155	3.0
147.08046	4.2
147.11726	15.2
149.09598	2.5
149.13257	38.5
151.07571	36.1
151.14822	1.7
157.10114	3.0
159.11684	2.6
161.09601	2.4
161.13220	12.4
163.14799	28.4
171.52054	1.9
175.14735	2.7
177.09126	2.1
177.16382	12.8
189.12721	7.4
189.16315	2.8
191.18013	11.8
197.11685	2.2
203.17914	4.5
207.13832	22.2
217.19490	9.1
235.20616	2.8
273.18472	11.2
273.25723	16.1
291.19437	45.7
291.26804	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.272
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39923	0.5
56.05048	6.6
57.05372	1.4
57.07079	6.1
58.06610	7.0
58.07410	1.5
59.06934	0.9
71.08628	1.7
72.08975	1.0
74.06073	8.6
75.06411	1.4
84.08115	0.7
86.06027	0.8
88.07630	12.3
89.07961	3.1
118.08638	4.6
119.08975	2.4
122.08145	5.4
123.08486	2.5
147.44077	0.8
242.24803	4.4
243.25119	60.0
273.26163	3.1
291.27206	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11701	0.8
55.51742	0.6
61.02921	0.7
62.97049	0.6
79.05492	1.8
84.08150	4.9
96.05610	4.4
98.07173	8.0
102.63632	0.8
103.05472	18.7
103.45270	0.8
104.06040	0.7
105.07020	1.5
106.17166	0.7
107.04970	14.9
118.06553	1.6
120.08130	1.2
122.36378	0.8
126.06638	36.3
129.10185	0.8
131.04918	15.2
132.95844	1.9
136.07574	1.0
138.06680	0.9
146.06012	1.5
147.79520	0.9
157.54231	0.7
174.96884	3.1
186.38002	0.8
200.11827	19.6
228.11263	9.2
246.12387	22.5
268.99686	1.0
274.11832	100.0
292.12869	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	292.129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48009	0.4
55.05518	1.0
59.16443	0.4
59.45705	0.4
60.04533	19.5
69.31951	0.4
70.02934	1.8
70.06570	0.7
84.08109	1.0
85.04015	3.1
86.09693	0.6
99.05570	0.6
105.06654	0.6
111.31236	0.4
115.05034	8.7
118.06513	0.8
126.06716	0.6
126.65130	0.5
129.10252	0.6
130.06511	6.7
132.08099	6.7
132.95906	0.5
144.08081	5.9
146.02711	4.2
146.06003	19.6
158.08278	0.8
159.09158	8.9
160.07515	0.7
170.05995	2.3
183.09084	0.6
187.08636	2.3
188.07063	100.0
192.03203	2.4
205.09723	29.9
208.09741	1.9
244.82310	0.7
245.09184	2.7
246.12361	7.2
267.85172	0.5
274.11853	5.1
292.12921	29.9
292.16318	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	292.1289
Annotation	H-TRP-SER-OH
Peak:m/z	Relative Intensity
50.48671	0.5
50.98912	0.4
51.61163	0.6
54.38974	0.4
55.05522	0.7
58.99574	0.6
60.04245	1.1
60.04534	22.1
60.66080	0.5
66.89171	0.5
69.25951	0.5
70.02948	3.2
77.83326	0.5
83.08643	0.7
84.08143	2.2
84.27090	0.5
85.02911	0.9
85.04052	2.1
87.05609	0.7
91.33843	0.5
99.05593	3.2
105.06601	0.7
115.05042	9.1
118.06577	2.6
122.07147	2.4
129.10245	2.6
130.06532	7.1
132.08084	7.5
137.06010	2.6
144.08086	5.2
146.02708	2.6
146.06010	17.5
158.08347	1.0
159.09161	8.6
170.05966	2.8
183.06526	0.7
187.08661	2.4
188.07062	100.0
192.03207	1.1
205.09723	27.8
245.09126	2.2
246.12386	10.5
274.11948	4.7
292.12888	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	292.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43809	0.3
67.70967	0.4
70.92262	0.4
73.86720	0.4
74.14802	0.4
79.05485	2.1
91.73180	0.5
92.04982	0.9
92.25488	0.5
106.06558	40.3
107.07314	0.5
108.08102	0.7
120.08102	2.9
129.57498	0.5
133.07629	3.9
144.08046	0.6
145.08864	3.5
145.92841	0.4
158.09680	1.1
159.10428	2.3
160.11208	100.0
165.90825	0.5
168.23886	0.4
171.09171	1.0
178.61671	0.4
185.10689	2.6
186.11635	0.9
249.64490	0.5
273.82977	0.6
277.15619	1.1
285.38345	0.4
292.18066	49.6
292.27328	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	292.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82185	0.4
79.05505	2.4
80.72301	0.4
92.05017	0.8
95.05009	0.9
106.06557	36.4
107.07346	0.6
108.08150	0.6
120.08089	4.0
122.81191	0.5
133.07617	3.4
142.26688	0.5
144.07968	0.6
145.08858	5.2
158.09654	2.2
159.10411	2.1
160.11211	100.0
167.67720	0.5
171.09198	1.1
172.11098	0.6
185.10751	3.0
186.11627	0.7
244.62971	0.5
277.15695	1.1
292.18048	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	292.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46209	0.4
54.19441	0.5
58.38742	0.4
60.02433	0.4
79.05495	0.7
83.09550	0.4
92.04955	0.5
95.04974	0.5
106.06560	38.5
106.27057	0.5
107.04947	0.5
108.08086	0.8
120.08122	3.9
133.07590	3.0
144.08095	0.6
145.08887	4.4
158.09642	2.4
159.10442	2.1
160.11211	100.0
170.85817	0.5
171.09149	0.7
172.11179	0.7
185.10722	3.4
277.15762	1.2
292.18066	59.1
293.63333	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	292.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05047	5.7
57.05363	1.3
57.07082	5.0
57.46186	0.5
58.06605	4.5
58.07417	1.0
59.06940	1.0
62.26977	0.4
71.08626	3.1
72.08972	1.2
74.06078	8.9
75.06422	1.3
76.06530	0.7
78.62187	0.5
79.05470	0.7
79.60947	0.5
80.07227	0.5
84.59252	0.5
85.10174	0.7
87.41699	0.5
88.07627	8.8
89.07964	3.3
90.08057	0.9
118.08607	2.8
119.08981	2.3
120.08974	0.9
122.08150	2.9
123.08454	1.2
124.08562	3.0
143.54028	0.6
242.24803	13.3
243.25082	7.5
244.25415	38.1
274.10349	0.6
274.26392	2.9
275.20197	0.9
292.27484	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86797	0.4
55.01876	0.5
55.05521	0.6
56.05050	8.8
57.05363	2.2
57.07083	4.1
58.06609	4.9
58.07418	0.9
59.06942	1.1
60.04538	1.8
68.05029	0.5
69.07086	0.7
71.08622	2.7
72.08955	0.9
74.06086	6.9
75.06408	3.5
83.08606	0.6
86.06053	0.7
87.06383	0.5
88.07641	10.6
89.07969	4.9
90.08060	0.8
95.08631	0.8
107.08543	0.7
118.08642	3.2
119.08974	1.0
122.08150	3.3
122.78995	0.5
123.08499	1.1
124.08575	2.8
126.85847	0.5
242.22552	0.6
242.24817	10.3
243.25160	4.8
244.25427	40.5
274.26532	2.5
275.20187	2.0
292.27493	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0633
Annotation	N4-Acetylsulfadiazine
Peak:m/z	Relative Intensity
61.31617	1.8
77.97661	1.7
98.97525	1.8
111.63219	2.6
182.95627	2.5
218.41988	1.8
241.84561	2.0
263.35696	2.1
293.06302	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02036	0.5
55.05520	20.4
63.29972	0.5
67.26993	0.4
68.57957	0.5
71.16045	0.5
73.06555	9.8
78.56161	0.6
80.39071	0.5
129.07060	1.0
131.08548	2.4
143.04919	0.6
149.02342	100.0
161.05928	5.4
165.81352	0.6
166.18265	0.5
167.03320	0.7
175.07550	22.6
185.05978	0.9
189.16261	0.6
203.07037	23.0
230.63362	0.6
242.29343	0.7
252.42545	0.6
275.12643	6.7
293.13861	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	293.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	4.4
55.05524	16.1
55.82787	0.4
56.00275	0.4
58.99599	2.4
61.01167	0.8
61.05791	0.5
62.63343	0.4
70.06602	1.2
72.04510	3.2
76.02245	0.5
76.38187	0.5
78.03812	3.9
81.07056	1.2
83.08627	19.2
84.08152	0.9
84.66907	0.5
85.02900	3.4
86.06133	0.6
86.99059	0.5
90.05553	2.1
91.05482	0.9
95.08598	0.5
99.04430	1.1
99.63217	0.5
102.03757	7.0
102.09148	0.7
103.03952	7.0
104.01243	0.5
104.01714	7.1
109.02898	0.7
116.01677	21.4
116.07085	0.8
116.98644	0.7
120.04813	1.2
126.05521	7.1
127.03931	2.9
131.04948	1.0
131.06395	4.8
132.04764	2.8
134.04478	0.5
136.96420	0.5
147.05806	0.5
149.07440	17.4
152.07095	0.6
158.02711	100.0
159.08380	9.0
175.05469	0.6
176.03767	50.5
180.06534	4.2
212.13219	0.6
224.07985	0.6
276.12653	30.1
276.15744	1.0
293.08667	0.7
293.11652	19.0
293.15256	12.7
293.18549	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	293.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.5
55.05522	16.0
58.99596	1.8
70.06588	1.6
71.36833	0.3
72.04527	0.8
73.02905	0.3
76.02226	0.7
83.08626	17.1
83.09748	0.3
86.99057	2.1
88.02218	0.5
90.05549	1.9
97.74485	0.3
101.89336	0.3
104.01694	6.9
108.25945	0.3
116.01676	19.6
123.24487	0.3
126.05518	0.5
130.03223	0.4
144.06560	1.4
158.02711	100.0
159.08397	7.6
176.03766	44.9
193.06464	0.3
258.11490	0.6
276.12640	24.4
293.15219	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	293.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.7
55.05523	15.2
56.00785	0.5
58.79523	0.5
58.99594	1.1
64.97216	0.6
70.06603	0.7
76.02208	0.9
83.08630	17.3
86.99072	1.5
89.91644	0.6
90.05579	0.8
94.47250	0.6
104.01685	6.8
116.01678	18.3
126.05458	0.7
141.07387	0.6
147.74084	0.7
152.24512	0.6
158.02707	100.0
159.08395	8.0
176.03761	47.0
258.11563	1.0
276.12613	33.0
293.12067	1.5
293.15302	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	293.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.9
59.33342	0.7
63.69575	0.8
65.87241	1.0
67.05499	1.9
69.07063	1.4
74.85076	0.9
79.05492	5.0
80.05853	1.3
81.07040	5.3
83.08622	1.4
85.79677	0.8
90.20091	1.0
93.07054	1.4
95.05016	1.4
95.08605	1.8
105.06995	1.7
106.06558	44.6
107.06162	1.1
107.06881	25.8
107.08587	8.9
109.06510	1.9
109.10143	1.4
110.82955	0.9
119.08549	1.4
120.08125	4.0
121.08485	1.2
121.10191	1.2
123.11665	1.3
125.09614	1.0
131.08543	1.1
133.07588	2.2
134.07986	3.2
140.49580	0.8
141.07730	0.9
145.08792	1.5
146.09172	2.0
147.11681	1.7
147.77252	1.0
149.09633	1.4
160.11206	77.2
160.36826	1.0
161.11551	100.0
171.09213	1.1
185.10791	1.6
186.11232	3.7
257.91476	1.0
275.19952	10.4
278.15842	1.0
293.18381	97.6
293.21124	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	293.2108
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.09825	0.8
55.01882	1.6
55.05515	6.9
57.03436	1.9
57.07066	1.2
57.13926	0.7
57.24191	0.7
66.36380	0.9
67.05505	14.6
69.03453	1.2
69.07070	23.3
71.04988	1.4
79.05496	10.1
81.07068	23.4
83.04956	7.1
83.08617	4.8
91.05476	10.8
93.07047	17.7
95.04951	4.2
95.08598	17.1
97.06557	2.9
97.10162	3.8
105.07043	19.5
107.04944	4.7
107.08587	13.4
109.06509	9.6
109.10158	11.2
111.08006	1.1
117.07001	4.2
119.08580	13.8
121.06514	9.9
121.10151	9.6
123.08046	4.4
123.11719	1.5
128.60960	0.9
131.08580	11.4
133.06505	2.1
133.10110	20.2
135.08054	6.3
135.11696	6.7
137.09636	3.8
143.08656	1.1
145.10110	12.5
147.08049	1.7
147.11690	15.7
149.09615	3.8
149.13246	1.7
151.11185	8.1
157.10121	1.5
159.08049	1.8
159.11705	6.8
161.09602	2.3
161.13225	3.9
163.11172	5.9
171.11702	2.0
173.09494	1.9
173.13240	6.4
175.11211	1.6
177.12740	4.2
183.11658	1.1
185.13292	1.7
187.11156	1.2
189.12688	1.0
191.14320	5.0
197.13254	2.0
201.12697	3.3
203.78828	1.1
207.13843	2.1
215.17821	1.3
219.13786	6.2
229.19521	1.4
235.16670	1.0
239.17937	3.8
247.20464	3.4
257.18991	13.4
275.20047	100.0
293.21078	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	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
55.01886	2.7
55.05524	15.6
57.03445	3.2
57.07081	2.7
57.11813	1.1
63.01395	1.4
66.86723	1.2
67.05522	17.9
69.03412	1.4
69.07075	11.6
71.04967	1.7
71.08630	6.1
79.05494	18.7
81.03454	1.6
81.07062	33.1
83.04993	2.4
83.08617	13.0
85.06554	2.7
91.05465	10.4
93.07044	16.5
95.04974	47.3
95.08612	19.4
97.06541	2.5
97.10175	12.4
99.08072	1.6
105.07059	15.9
107.04955	5.6
107.08605	40.1
109.06508	7.5
109.10177	15.9
111.04449	2.8
111.08101	2.0
117.07012	3.5
119.08581	13.2
121.06482	3.4
121.10158	9.9
123.08072	5.4
123.11706	7.9
125.09644	5.6
131.08572	8.1
133.10114	12.7
135.08089	5.5
135.11681	6.5
135.40587	1.3
136.08269	1.5
137.09660	2.1
143.08600	3.0
145.06471	1.4
145.10114	11.5
147.08061	3.2
147.11661	6.2
149.09641	10.5
149.13229	2.6
151.11139	3.0
153.09100	7.2
157.10135	2.8
159.11722	6.2
161.09576	1.7
161.13284	2.2
163.11169	19.2
165.12698	5.3
171.11717	1.7
173.13257	2.0
177.12773	2.9
183.11687	2.6
185.13303	3.3
187.11162	3.2
189.11238	3.1
203.14256	2.2
223.13222	11.5
237.16507	2.0
246.61514	1.6
257.19016	6.2
275.20071	37.1
276.20334	1.7
293.20901	100.0
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	Unknow
Peak:m/z	Relative Intensity
55.05503	0.3
64.89825	0.2
67.05526	0.4
69.07057	0.4
71.08631	0.6
79.05502	0.6
81.07079	0.8
93.07013	0.4
95.04954	0.5
95.08624	1.0
97.10152	0.3
99.08109	0.5
103.36816	0.2
107.04945	0.3
107.08653	0.5
109.06548	0.3
117.06968	0.2
119.72629	0.3
121.06518	1.1
123.08083	0.3
128.22247	0.3
139.79735	0.2
140.20528	0.3
144.00969	0.3
151.11153	0.5
163.11101	0.3
164.11958	0.5
165.12753	0.3
166.10886	0.3
178.88458	0.3
194.91772	0.3
237.14940	0.3
275.20123	0.4
285.06482	0.3
293.21103	100.0
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	13(S)-HpOTrE
Peak:m/z	Relative Intensity
52.68365	1.0
53.03957	1.6
54.03890	1.1
55.01876	6.4
55.05522	11.1
56.29050	1.0
57.03437	1.7
58.62152	1.2
62.84979	1.0
64.26839	1.1
67.05512	21.1
68.30628	1.2
69.03438	1.4
69.06789	1.0
69.07076	15.2
70.19791	1.4
79.05511	20.4
80.78528	1.2
81.03410	3.0
81.07058	39.4
83.04997	1.8
83.08638	12.7
88.67396	1.2
91.05479	17.1
93.07039	22.1
95.04968	10.6
95.08605	25.2
97.06523	11.4
97.10158	9.1
105.07041	21.8
107.04956	2.9
107.08590	36.7
109.06525	16.6
109.10165	10.8
111.08105	1.7
117.07017	5.4
119.08576	19.2
121.06500	5.1
121.10151	15.5
123.08102	6.3
123.11716	3.0
125.09618	6.6
130.81795	1.2
131.08588	9.7
132.16862	1.3
133.10120	20.5
135.08058	5.5
135.11694	6.9
137.09639	5.0
145.10133	9.4
147.11700	14.9
149.09622	15.4
151.11182	7.0
155.57489	1.4
157.10118	1.7
159.11705	9.2
161.13258	7.7
163.11160	8.9
165.09082	2.8
165.12746	5.0
171.11630	1.4
173.09619	1.9
173.13278	5.4
175.11201	1.7
177.12775	2.9
183.11740	2.4
185.12938	1.4
186.01242	1.4
189.11166	2.3
191.14357	1.8
229.19504	4.6
239.17929	7.1
247.20616	5.0
257.19006	14.3
275.20053	100.0
293.21100	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	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
55.01896	1.9
55.05507	12.4
57.03441	16.5
65.29224	1.4
65.95837	1.4
67.05506	23.6
69.03435	17.8
69.07071	10.7
71.04988	11.0
79.05499	25.8
81.07057	30.3
83.04997	2.4
83.08621	11.1
85.06537	9.5
88.28182	1.5
91.05484	26.7
93.07040	42.7
95.04465	1.6
95.04951	14.0
95.08606	29.2
97.06535	3.3
99.08084	3.3
102.32681	1.7
105.07016	28.4
107.04983	1.9
107.08587	26.6
109.06507	8.4
109.10162	10.1
111.08025	5.7
117.07008	13.1
118.71936	1.6
119.08584	23.1
121.06493	2.2
121.10159	17.1
123.08078	7.7
125.09637	3.1
129.06999	7.3
131.08569	19.7
133.10121	22.1
135.08084	3.1
135.11688	2.8
137.09596	3.4
143.08542	3.9
145.10121	18.3
147.11731	20.0
149.09608	10.3
149.13300	2.7
151.11121	5.8
157.10100	2.1
159.11682	19.0
161.13249	10.5
163.11191	10.6
173.13211	19.9
175.11134	2.8
175.14740	2.8
177.12746	5.8
177.62254	1.7
183.11597	2.7
185.13240	18.3
187.14815	3.7
188.39354	1.7
189.12752	2.3
191.14259	3.7
197.13263	2.2
201.12732	2.6
201.16338	2.6
203.14395	13.1
205.15898	15.5
209.15363	7.5
219.17473	25.0
221.15315	13.0
223.13271	1.9
233.15237	1.7
239.17911	3.0
257.11972	2.2
257.18951	26.1
275.20026	100.0
293.21017	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	293.211
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
50.27287	2.1
53.03952	2.2
55.01876	11.2
55.05521	31.0
56.27923	2.1
56.39204	2.2
57.03422	2.9
58.50808	2.2
64.32668	2.3
65.09066	2.2
67.05511	34.5
69.03412	2.3
69.07069	14.3
71.05003	4.1
71.08624	4.4
79.05495	47.3
81.03436	3.8
81.07058	32.0
83.05007	11.8
83.08614	15.1
91.05479	22.0
92.70573	2.5
93.07046	33.8
95.04984	13.9
95.08602	21.2
97.06546	14.5
97.10172	27.0
103.69174	2.4
105.07040	22.0
107.04983	22.3
107.08591	55.1
109.06534	5.5
109.10149	17.4
115.70534	2.4
117.07032	3.6
119.08583	22.2
121.10132	21.2
121.46860	2.5
123.08060	2.9
123.11740	2.7
125.09628	26.6
131.08545	14.7
133.10129	18.8
135.08064	5.9
135.11720	4.2
145.10120	13.7
147.11690	11.3
149.09621	80.2
149.10820	3.0
151.11176	4.6
152.93126	2.5
159.11696	5.8
161.13264	5.8
163.11163	4.3
173.13281	5.9
182.05501	2.6
187.14699	2.5
189.11148	18.2
209.15445	4.6
225.38399	2.5
229.19604	5.5
247.20515	2.7
257.18973	15.1
275.20050	100.0
293.21051	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	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
55.05522	6.7
57.03439	15.1
59.16627	1.2
67.05510	24.4
69.03438	18.6
69.07053	9.5
71.04992	2.9
79.05502	22.5
81.06610	1.8
81.07065	30.2
83.04987	1.7
83.08625	10.4
85.06544	12.6
90.73611	1.3
91.05488	15.4
92.20859	2.6
93.07043	41.9
95.04977	2.2
95.08615	29.1
97.06539	3.2
97.10176	2.2
105.07038	32.9
107.04951	2.2
107.08605	30.0
109.06497	10.5
109.10167	6.9
111.08093	2.0
115.45076	1.3
117.06992	9.5
119.08591	26.9
121.10123	14.6
123.08041	2.5
123.11718	1.6
129.07033	2.6
131.08586	15.7
133.10121	21.7
135.08073	2.4
135.11702	3.3
137.09596	2.1
143.08586	6.0
145.10115	16.8
147.11670	19.3
149.09637	8.8
151.11240	2.7
157.10063	2.5
159.11656	14.1
161.09532	2.2
161.13225	7.7
163.11166	6.9
169.10097	2.2
171.11671	2.8
173.13242	15.3
174.05576	1.3
175.11237	2.7
175.14755	1.7
183.11714	2.8
185.13284	20.2
187.14847	2.3
191.14296	5.7
197.13319	2.3
199.14890	2.2
201.16345	5.1
203.14345	8.8
205.15863	14.3
209.15379	8.8
219.17450	24.6
221.15298	17.4
239.17928	6.8
247.20596	1.6
257.18985	16.3
275.20068	100.0
293.20914	44.7
293.28180	1.7
311.29840	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	293.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71492	1.3
55.05516	7.7
56.93755	1.4
67.05511	84.0
69.07067	9.0
71.88383	1.7
79.05486	8.0
81.07064	100.0
83.08626	9.3
85.06559	1.9
91.05491	3.3
93.07029	15.2
95.04998	1.5
95.08606	83.2
97.06533	2.7
105.07040	6.0
107.08594	11.0
109.10158	36.2
113.98344	1.7
117.06995	3.2
119.08578	3.8
121.10146	9.5
123.08089	2.1
123.11709	20.3
131.08559	8.1
131.09563	1.4
133.10049	5.5
135.11681	8.2
136.88103	1.6
137.09637	2.2
137.13261	10.6
145.10124	3.8
147.11659	2.8
149.09602	2.8
149.13290	8.2
151.14818	3.7
159.11702	7.5
163.11153	1.7
163.14813	2.7
165.12737	1.7
173.13223	9.2
177.12825	2.2
177.16364	2.7
179.14316	2.2
187.14876	3.2
191.14368	1.8
243.21046	7.3
259.23010	1.5
261.22174	9.6
275.20007	2.4
293.21216	8.5
293.24753	44.9
297.33698	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	293.2472
Annotation	9(Z),11(E),13(E)-Octadecatrienoic Acid methyl ester
Peak:m/z	Relative Intensity
50.47125	1.0
55.05523	7.1
63.49751	1.0
64.83536	1.1
65.37338	1.0
65.65189	1.1
67.05509	81.5
69.07062	10.0
79.05493	10.6
81.07055	100.0
82.33796	1.0
83.08611	8.5
85.06574	2.1
91.05499	2.5
93.07043	18.4
95.08601	91.9
97.06538	5.1
97.10178	5.6
105.07054	2.8
107.08583	12.7
109.06541	2.0
109.10155	41.3
117.07095	1.7
119.08585	4.2
121.10147	11.1
123.08067	1.2
123.11694	18.0
131.08553	11.7
133.10078	3.9
135.11641	10.0
137.09662	1.7
137.13251	11.1
145.10153	5.9
147.11688	2.8
149.09680	4.3
149.13281	7.5
151.11305	1.2
151.14864	6.1
159.11732	7.5
161.13274	4.6
163.11235	2.1
163.14803	3.0
173.13312	7.2
177.12682	1.8
179.18115	1.3
187.14848	4.8
191.14354	2.0
209.15634	1.4
243.21066	7.7
252.75893	1.3
261.22110	11.9
275.20105	1.6
293.21466	2.4
293.24722	33.7
294.81079	1.2
298.43469	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	293.247
Annotation	9(Z),11(E),13(E)-Octadecatrienoic Acid methyl ester
Peak:m/z	Relative Intensity
51.69281	0.8
55.05515	5.2
55.64001	0.9
56.20128	1.0
57.07090	1.6
58.20504	1.0
65.03946	1.2
67.05510	83.3
69.07063	9.3
71.08641	1.3
72.63033	1.0
73.99950	1.0
79.05499	8.1
79.72481	1.0
81.07063	100.0
82.22825	1.0
83.08609	6.6
85.06528	1.2
86.49910	1.1
91.05493	5.0
93.07040	13.0
95.04976	1.3
95.08607	93.4
97.10156	4.4
105.07008	2.5
107.08602	6.9
109.10152	53.1
111.08100	2.1
119.08579	5.6
121.10150	10.1
123.08034	2.3
123.11706	30.8
127.25385	1.0
131.08580	7.1
133.10106	7.4
135.11693	8.2
137.09595	2.5
137.13269	9.8
139.11261	1.2
141.09038	1.5
145.10100	5.2
147.11697	4.1
149.09583	1.8
149.13272	4.6
151.11182	6.7
151.14874	1.8
159.11678	5.3
161.13251	1.7
163.11179	2.5
163.14809	1.5
173.13263	4.2
177.12706	1.6
187.14816	2.0
191.14243	1.1
237.18497	1.1
243.20998	8.7
261.22125	9.8
293.21069	13.8
293.24722	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	293.2471
Annotation	9(Z),11(E),13(E)-Octadecatrienoic Acid methyl ester
Peak:m/z	Relative Intensity
55.01879	1.1
55.05512	7.4
55.05759	1.0
56.18993	1.0
57.07083	1.7
65.03941	1.2
67.05511	86.1
68.08721	1.1
69.07078	8.8
73.35806	1.1
79.05499	11.4
81.07062	100.0
83.05028	1.0
83.08631	8.6
85.06540	4.5
91.05475	2.8
93.07047	15.2
94.27356	1.1
95.04944	1.5
95.08608	95.9
97.10169	5.2
105.07041	5.3
107.08584	11.2
109.06492	1.7
109.10152	33.6
111.08143	1.3
119.08576	5.5
121.10136	11.4
123.08050	2.5
123.11696	12.9
125.09684	1.3
131.08571	6.3
133.10139	5.5
135.11668	8.3
137.09656	2.4
137.13295	6.8
145.10124	5.0
147.11693	2.5
149.09665	2.2
149.13260	7.0
151.11157	1.4
151.14809	5.1
159.11685	4.6
161.13184	4.3
163.11203	5.4
163.14832	5.3
173.13225	9.2
177.12692	1.6
177.16406	1.8
187.14824	2.4
191.14330	1.7
243.21075	8.1
261.22061	9.5
275.20016	2.4
293.21130	5.8
293.24725	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	293.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03112	1.0
55.01881	2.4
55.05519	15.5
55.26535	1.2
57.03434	8.3
57.07067	4.9
62.04430	1.3
67.05506	72.3
69.03430	1.8
69.07077	16.3
71.04965	1.6
71.08619	2.6
79.05495	22.5
81.03413	1.6
81.07060	100.0
83.04979	2.8
83.08612	11.8
85.06553	5.6
88.86993	1.3
90.84791	1.1
91.05482	14.5
93.07043	31.8
95.04961	6.1
95.08609	86.7
96.08929	1.4
97.06528	2.6
97.10146	6.0
99.08103	2.6
100.29013	1.3
105.07014	18.1
107.04930	2.6
107.08584	19.0
109.06526	5.2
109.10158	32.7
111.08070	5.7
113.46826	1.3
117.06985	8.1
119.08582	13.5
121.10152	20.4
123.08031	2.5
123.11679	18.4
131.08554	12.3
133.10104	15.9
135.08060	3.2
135.11699	10.7
137.09578	2.8
137.13260	11.6
139.11168	2.2
145.10136	9.5
147.11682	11.2
149.09630	8.4
149.13260	8.9
151.11142	5.9
151.14810	6.6
159.11682	8.1
161.13257	1.8
163.11206	6.8
163.14749	3.2
169.15842	2.0
170.16238	6.4
173.13278	8.2
177.12836	5.7
177.16321	1.6
191.14229	1.5
205.15866	2.1
209.15300	1.6
215.12457	1.5
219.17422	9.3
243.21162	3.4
252.24023	7.9
257.19025	3.1
261.22107	9.1
275.20047	40.9
293.21082	36.3
293.24722	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	293.2836
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
55.05272	1.9
55.05519	22.3
57.03435	1.9
57.07082	14.6
62.99941	1.3
63.46541	1.5
66.63510	1.2
67.05508	19.6
69.07072	51.7
71.08619	8.9
76.98122	1.4
79.05497	3.3
81.07061	33.7
83.08627	38.4
85.06510	1.9
85.10195	2.6
93.07043	11.5
95.08604	38.7
97.06519	3.0
97.10168	33.3
107.08574	8.4
109.10160	22.8
111.08097	4.5
111.11702	10.7
121.10149	14.4
123.11696	12.4
135.11681	18.4
137.13148	2.0
149.13274	8.8
163.14745	1.8
177.16313	1.5
233.22636	1.4
275.27332	19.4
290.97485	1.4
293.21359	2.3
293.28354	100.0
295.82562	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	293.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77784	0.6
55.01861	0.8
55.05519	19.0
57.03467	0.6
57.07073	7.5
67.05180	1.4
67.05512	25.6
69.07071	22.7
71.08622	4.2
79.05506	5.9
81.07059	71.7
83.04996	0.9
83.08624	20.8
85.06528	5.9
85.10201	1.0
90.86359	0.7
91.05483	4.3
92.21549	0.7
93.07054	11.3
95.04975	3.8
95.08606	100.0
96.08736	0.7
97.06554	0.9
97.10166	11.8
99.08092	3.7
105.07055	6.5
107.08582	10.7
109.06502	4.3
109.10156	66.2
111.11718	5.2
113.09647	1.3
119.08587	5.5
121.06522	0.9
121.10126	8.6
122.73814	0.7
123.08067	1.7
123.11703	31.7
127.11147	0.8
129.63719	0.8
131.08539	1.4
133.10132	5.4
135.11670	6.0
137.09650	1.3
137.13258	10.7
139.35197	0.8
145.10156	3.3
147.11670	4.2
149.09596	1.6
149.13258	6.2
151.11218	1.7
151.14830	16.7
159.11633	0.9
163.11224	1.2
163.14836	3.4
165.12657	0.8
165.16338	3.2
169.10133	0.9
171.11684	1.0
177.12814	0.8
179.17900	1.0
191.17906	1.1
205.19427	1.1
219.21109	1.0
233.15413	0.9
257.19080	1.5
275.20050	12.5
275.27335	1.9
276.20163	1.0
293.20746	18.0
293.28299	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	293.2835
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
54.89891	2.4
55.05519	28.3
57.07079	17.3
62.50703	2.5
65.40856	2.5
67.05505	32.3
69.07065	47.8
71.08622	7.4
71.71843	2.7
72.83761	3.1
79.05498	4.3
81.07065	44.8
83.08624	42.7
85.06559	4.6
85.10191	3.3
92.20978	3.1
93.07032	5.3
95.08606	37.1
96.53766	3.1
97.06501	5.1
97.10149	32.6
99.60575	2.8
107.08583	14.2
109.10136	34.9
111.11681	11.7
116.77373	3.1
117.34289	3.1
121.10161	21.6
123.11689	18.0
125.09557	4.3
135.11719	14.8
137.13239	4.3
149.13255	4.6
215.67818	3.1
275.27359	6.7
293.21265	5.2
293.25031	8.2
293.28305	100.0
313.32358	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	294.1449
Annotation	Gln Phe
Peak:m/z	Relative Intensity
52.21977	0.5
56.05045	1.9
70.06593	0.9
70.39719	0.7
71.31286	0.6
73.79287	0.7
83.06114	65.6
84.04513	62.1
84.05030	1.8
84.08138	1.0
86.09705	1.1
98.00588	0.7
101.07146	12.3
120.08111	100.0
129.06711	2.3
131.04900	1.1
133.23888	0.7
149.05963	1.3
150.92137	0.7
166.08630	46.9
169.29474	0.7
186.09131	8.2
224.04958	0.9
230.12877	9.0
231.11278	21.9
232.09789	0.9
259.10751	3.2
276.13443	58.3
277.11838	43.6
294.14508	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	294.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27897	0.3
87.04491	0.6
90.06245	0.4
108.77295	0.4
139.87718	0.3
152.81480	0.4
182.18918	0.4
208.13301	0.5
264.10056	3.2
279.12527	100.0
294.14850	64.8
294.23883	0.7
305.83490	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	294.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27897	0.3
87.04491	0.6
90.06245	0.4
108.77295	0.4
139.87718	0.3
152.81480	0.4
182.18918	0.4
208.13301	0.5
264.10056	3.2
279.12527	100.0
294.14850	64.8
294.23883	0.7
305.83490	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	294.1545
Annotation	CHEBI:43892
Peak:m/z	Relative Intensity
57.03449	1.6
59.03760	1.3
69.03439	7.4
69.07059	1.0
70.06600	1.1
72.04532	1.4
72.08124	1.1
74.06080	1.0
79.38423	0.8
81.03413	4.8
84.08144	6.0
85.02901	6.9
86.09711	40.5
87.03208	5.8
88.03997	23.8
97.02877	7.4
98.09680	6.6
99.04467	2.2
100.51694	1.0
112.03971	4.8
112.26233	1.1
118.98399	0.9
120.08116	1.8
127.03914	9.1
128.10721	7.9
130.08636	2.1
132.10210	15.4
138.05396	1.1
143.05768	6.2
144.10216	7.6
145.04964	1.4
152.10616	1.1
156.06570	1.7
161.06796	7.7
164.10724	14.5
168.10181	2.2
170.11778	1.3
182.11853	1.1
182.54442	1.0
202.07092	1.5
210.11238	22.2
212.12801	18.4
220.08069	2.0
228.61067	1.0
230.13863	69.5
234.71945	1.1
243.32597	0.9
248.14922	6.8
258.13336	47.9
263.77832	1.0
276.14410	100.0
294.11911	1.5
294.15372	9.5
299.40405	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	294.1812
Annotation	Lysylphenylalanine
Peak:m/z	Relative Intensity
56.05042	1.5
61.40767	0.3
69.38367	0.3
69.67517	0.3
78.93133	0.3
84.04515	1.3
84.08147	100.0
86.09685	0.7
87.65147	0.3
101.10786	4.0
112.07612	0.3
117.26311	0.4
120.08102	13.3
121.27858	0.3
128.54475	0.3
129.10243	11.3
130.05006	3.4
130.08650	3.5
147.07661	3.1
147.11302	4.1
166.08624	0.4
197.29480	0.3
230.13953	0.8
260.12851	0.4
276.14526	1.2
276.17163	0.3
277.12555	0.5
277.15482	4.9
294.14679	1.3
294.18094	23.5
294.21478	0.8
297.88193	0.4
312.10153	0.3
317.13123	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	294.191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16302	1.0
55.01867	2.3
55.05521	24.4
57.03440	4.9
57.07084	6.1
59.05007	100.0
64.21172	1.1
67.05518	10.3
69.03436	2.6
69.07061	7.3
71.05006	9.1
75.08396	1.1
79.05479	6.4
81.07061	12.0
83.04990	2.6
83.08623	12.0
85.02911	5.7
87.04472	30.3
91.05486	2.0
93.07054	2.9
95.04951	8.6
95.08603	7.1
96.05287	2.0
97.10168	19.1
99.04467	4.9
105.07061	1.3
107.08603	8.1
109.10161	8.8
111.08006	1.1
111.24655	1.3
117.05544	2.1
119.08514	1.4
121.10147	4.5
125.09646	14.0
132.08954	1.2
133.10092	1.5
135.11679	4.6
136.06255	1.7
137.09619	2.1
151.11215	1.6
163.11156	1.8
165.12636	2.2
173.11737	6.0
179.14320	9.1
185.13083	1.4
249.18626	1.3
276.20477	2.1
277.21622	20.3
294.13855	1.8
294.21338	9.5
294.24347	8.4
304.74164	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	294.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.8
53.68785	1.9
55.01876	8.1
55.05521	78.3
56.15724	1.8
57.03441	18.5
57.07069	8.7
59.04728	3.0
59.05008	73.6
62.92886	1.7
67.05510	31.5
69.03423	4.6
69.07069	22.9
71.04987	38.6
79.05497	27.7
81.03419	10.7
81.07053	32.7
83.04978	12.8
83.08628	47.0
85.02909	24.9
85.06532	2.5
87.04466	100.0
89.06015	8.9
91.05476	13.6
93.07035	23.4
95.04969	13.5
95.08602	19.7
97.02866	3.1
97.06511	9.6
97.10169	90.5
99.04453	29.6
105.07027	8.4
107.08594	30.2
109.06483	3.7
109.10176	17.7
111.04493	3.2
111.08085	4.9
113.09611	4.0
117.05470	10.6
117.07021	4.1
119.08577	14.8
121.06488	2.2
121.10146	14.0
123.08054	5.1
125.08766	3.7
125.09628	68.5
131.08583	3.6
133.10132	5.0
133.94780	1.9
135.08099	2.1
135.11710	16.3
136.06215	2.7
137.09627	3.1
139.11192	5.0
143.10654	4.0
145.10168	8.1
147.11661	4.7
149.09662	4.8
151.11194	5.2
153.12744	10.8
161.13219	3.6
163.11159	19.6
165.12732	11.3
173.11751	11.1
175.14783	2.7
181.12177	2.6
184.37389	2.1
189.11154	2.4
223.13235	2.8
259.20648	4.1
276.20502	3.6
277.21603	41.8
294.14111	3.2
294.21301	19.9
294.24268	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	294.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44530	2.0
54.51371	2.0
55.05508	17.2
57.03449	25.7
57.07066	2.9
58.30767	2.1
59.65502	2.4
67.05511	37.8
67.40242	2.3
69.07063	15.4
71.04993	12.1
78.81310	2.3
79.05495	33.7
81.07062	48.1
83.04978	40.1
83.08631	14.6
85.06536	16.8
91.05486	22.0
93.07038	66.2
95.04990	4.0
95.08604	52.4
97.06536	9.6
97.10173	12.5
99.08083	5.2
105.07030	15.5
107.08598	42.7
109.06518	4.4
109.10165	24.0
111.08074	11.5
117.07023	4.0
119.08580	29.6
121.10155	46.3
123.08062	3.2
123.11729	3.7
125.09623	5.2
131.08585	20.7
133.10147	18.4
135.11690	32.0
137.09627	10.7
139.11134	3.9
141.31914	2.5
145.10155	17.3
147.11708	15.9
149.13258	12.0
151.11201	9.8
159.11682	4.7
161.13245	19.6
163.11122	2.8
165.12746	3.1
171.11710	3.0
173.13245	12.0
175.14897	10.5
177.12779	3.1
179.14345	2.9
184.13356	5.5
187.14804	25.2
203.17917	4.0
205.15916	16.8
221.19011	14.3
222.18527	3.2
238.21648	3.6
241.19522	5.3
259.20511	26.2
276.22958	3.5
277.21625	100.0
294.24310	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	294.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	11.0
55.05515	32.6
57.07078	4.7
64.11992	4.3
67.05515	96.0
69.03430	6.0
69.07073	27.4
71.08637	59.4
79.05500	74.9
81.03413	7.2
81.07061	90.1
83.04970	19.1
83.08609	29.5
85.06544	7.1
91.05490	18.9
93.07057	67.7
95.04974	7.8
95.08601	68.5
97.06530	10.2
97.10177	36.3
99.08094	28.1
99.08769	4.3
105.07034	18.8
107.08598	74.8
109.10146	85.4
111.08081	9.3
119.08571	24.4
121.10127	48.0
123.11681	20.0
124.11254	8.3
125.09640	35.3
131.08659	4.6
133.01831	5.7
133.10118	32.4
135.08060	10.1
135.11632	38.2
137.09653	7.3
139.11163	9.0
142.12315	7.9
145.10143	8.9
147.11688	8.1
149.13239	8.7
151.11157	41.1
161.13300	11.6
163.11194	5.3
165.12727	5.3
167.40144	4.7
169.12334	5.7
170.11722	52.1
171.11694	5.2
173.11763	5.9
175.11110	4.6
179.14308	31.6
184.13451	7.1
187.13164	8.3
196.17010	21.7
259.20529	27.1
276.23190	8.2
277.21634	100.0
294.24274	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	294.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	5.6
55.05517	17.2
55.92174	2.1
57.03208	3.3
57.03442	37.1
57.07082	4.2
62.88093	2.4
67.05509	40.5
69.03428	4.1
69.07069	18.3
69.14745	2.4
71.04989	18.3
79.05495	34.5
81.07066	51.1
83.04993	32.0
83.08603	12.2
85.06554	16.5
88.78963	2.6
91.05471	18.5
93.07042	50.3
95.04988	3.3
95.08618	56.5
97.06551	12.0
97.10162	6.7
99.08085	4.8
105.07043	18.6
107.08595	42.3
109.06467	3.9
109.10159	28.8
111.08076	5.2
117.06950	4.5
117.22954	2.6
119.08578	21.6
121.10143	59.1
121.83874	3.0
123.08067	5.4
123.11690	9.7
125.09636	5.9
131.08551	18.2
133.10152	21.7
135.11705	24.2
137.09601	15.4
137.34097	2.9
139.11229	5.5
143.08511	2.7
145.10138	15.8
147.11725	12.4
149.13239	15.0
151.11224	13.4
159.11732	6.2
161.13225	19.3
163.14804	6.3
171.11658	4.0
173.13287	6.3
175.14813	11.0
177.12718	3.3
179.14230	5.2
187.14792	53.7
203.17973	3.5
205.15802	24.2
221.15233	3.1
221.18985	12.2
222.18515	5.7
238.21652	4.9
241.19493	11.7
244.69998	2.8
259.20499	23.5
264.80881	2.7
275.95419	2.7
276.23096	4.4
277.21585	100.0
277.24432	3.8
294.24277	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	295.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01671	0.8
53.58411	0.8
55.01884	1.0
57.03189	1.1
57.03441	17.3
58.88914	0.8
59.04993	4.2
60.04523	1.1
69.03435	70.9
70.02977	7.3
71.04974	1.1
74.02450	1.5
75.04493	1.9
81.03428	4.6
84.08224	1.1
85.02908	48.6
86.02428	1.8
87.04472	56.4
88.03993	50.4
89.62150	1.0
91.05499	1.2
94.06571	46.5
94.25607	1.0
95.04980	1.4
97.02896	54.2
98.02425	1.1
99.00817	5.0
99.04461	5.2
103.03955	4.0
104.03473	17.8
104.04975	1.3
111.04420	1.2
115.03931	47.8
116.03439	2.4
118.06454	1.2
120.04452	9.9
120.08122	7.9
127.03926	6.7
129.10257	1.1
130.05046	1.1
132.04436	4.4
133.04967	53.0
136.07594	4.2
145.04933	10.2
146.06010	100.0
147.04408	5.6
150.05502	6.1
156.02917	4.5
160.02264	4.9
161.04419	1.3
163.05888	1.3
163.08687	1.7
166.08611	2.4
169.04996	1.5
174.03987	15.7
174.05507	53.2
184.02446	1.3
192.06526	7.8
202.03476	21.0
245.70374	1.0
277.08429	7.0
295.09213	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	295.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.6
53.62462	0.6
55.01875	1.4
55.05542	0.6
56.99387	0.6
57.03191	1.2
57.03446	21.6
57.84973	0.6
58.23392	0.6
59.05009	7.2
61.02931	1.3
67.05497	0.7
69.03434	100.0
71.15609	0.6
73.02913	4.7
75.04456	1.3
80.61816	0.7
81.03424	9.0
83.04971	1.3
85.02911	64.3
87.04469	77.0
87.62572	0.8
92.21622	0.7
95.78981	0.7
97.02895	67.5
99.04449	8.0
103.03931	6.5
109.02866	3.0
111.04436	1.0
113.02373	0.8
113.32893	0.6
115.03928	69.3
117.05482	1.3
119.35629	0.6
119.47223	0.7
121.06500	0.7
123.04411	1.5
127.03901	9.5
133.04968	68.5
135.04367	0.7
139.03893	1.1
145.04959	13.7
146.05978	1.1
151.03926	1.5
161.04414	1.0
165.05498	0.8
169.04965	5.1
194.72084	0.7
199.05951	0.9
229.07066	1.0
231.05376	2.7
239.94461	0.8
241.07053	1.7
248.94994	0.7
259.08276	2.2
274.44717	0.7
277.09146	4.7
295.10165	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	295.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00322	0.9
53.79855	0.8
55.01872	1.5
57.03447	23.6
59.05007	5.5
59.84129	1.0
60.98641	1.1
61.02929	1.5
63.35314	0.9
67.00971	1.0
69.03439	100.0
69.07066	5.0
71.01355	1.3
71.05003	1.4
72.28449	1.1
72.70887	1.1
73.02918	4.4
75.04479	2.1
81.03433	10.2
81.07072	1.5
85.02913	63.4
87.04475	67.1
92.21259	2.1
95.08580	1.1
97.02897	71.5
99.04481	11.5
103.03963	9.4
109.02920	2.6
111.04443	1.7
111.11753	1.2
115.03936	70.5
119.08559	1.1
121.10129	1.2
123.04431	2.0
123.42596	1.1
127.03897	10.5
133.04973	64.2
145.04961	19.5
149.02345	4.9
151.03905	2.1
157.04988	1.3
161.04529	1.4
165.05490	1.2
169.04909	5.5
171.11697	1.2
187.06105	1.2
193.04927	1.0
211.06046	1.2
217.18744	1.2
229.07088	1.7
241.07152	2.7
259.08182	1.8
277.09128	8.1
295.10239	2.2
295.24167	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	295.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.7
55.05502	1.3
55.15735	1.4
57.03447	24.6
59.05009	6.1
63.90640	1.6
69.03439	97.4
70.02961	7.0
73.02936	3.6
74.02451	1.7
75.04481	2.0
81.03431	8.7
81.78862	1.3
85.02914	65.5
86.09700	2.0
87.00908	1.4
87.04472	73.4
88.03999	49.0
94.06573	52.0
97.02899	69.1
99.00826	3.0
99.04462	10.5
103.03963	3.3
104.03484	16.3
109.02886	2.3
111.04463	1.6
113.55328	1.4
115.03934	80.1
116.03439	2.3
120.04504	11.3
120.08098	3.4
122.06068	8.4
127.03928	6.8
130.05031	2.0
132.04443	3.5
133.04971	69.8
133.05949	2.8
136.07591	8.4
137.08371	15.4
138.09117	10.3
140.07100	2.9
143.90005	1.5
145.04968	14.8
146.06017	100.0
150.05515	6.4
155.09348	1.6
156.02882	5.6
156.10208	6.5
158.04463	1.8
160.02289	6.0
161.04430	1.8
166.08698	1.6
169.04985	2.0
174.03960	13.8
174.05464	58.8
174.07047	2.0
188.10513	1.7
192.06532	8.3
202.03490	19.5
229.07100	1.4
249.40517	1.5
277.08682	9.0
277.15509	7.3
295.09344	7.9
295.16965	1.8
319.19290	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	295.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
57.03443	23.1
59.05024	8.5
64.67660	1.1
69.03436	100.0
71.04996	1.5
73.02934	2.2
75.04498	2.2
81.03413	9.3
85.02908	68.2
87.04474	78.8
95.04967	1.3
97.02893	75.7
99.04449	10.5
103.03931	6.1
109.02868	1.5
111.04408	2.4
115.03931	78.7
123.04465	1.5
127.03918	13.6
133.04976	81.4
135.58374	1.2
145.04962	17.2
151.03926	1.2
169.04938	5.2
241.07120	5.2
259.08136	2.8
277.09351	8.6
295.10010	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	295.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00316	1.3
55.01878	0.9
57.03188	1.1
57.03449	22.3
59.05009	7.3
61.02929	1.4
69.03434	100.0
71.01334	0.8
72.90796	0.7
73.02911	3.9
75.04494	3.3
79.38367	0.7
81.03434	7.8
83.03387	0.8
84.08138	1.3
85.02907	61.8
85.94032	0.8
85.94686	0.7
86.09718	8.1
87.04471	77.1
88.03999	1.5
91.03963	0.9
91.05479	4.7
94.06542	1.2
97.02897	71.3
99.04468	7.1
101.02340	1.2
103.03950	5.0
109.02889	1.7
111.04465	1.3
115.03927	69.1
119.04948	6.8
120.08099	10.2
121.06516	1.2
123.04390	1.3
127.03931	10.4
133.04964	65.8
136.07584	54.1
136.08450	1.4
141.86055	0.9
145.04971	13.0
146.05991	3.8
147.04362	1.1
161.04388	1.2
169.04948	5.8
174.05414	1.4
177.05510	1.1
205.04959	1.1
205.06898	1.1
223.06023	1.0
229.07071	1.8
241.07068	1.2
251.09576	0.9
259.08109	2.0
277.09171	5.5
286.68765	0.9
295.10434	1.0
295.16516	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	295.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	0.6
53.19808	0.5
55.01881	2.4
56.09848	0.5
57.03447	11.1
57.91734	0.5
59.05004	1.5
61.02929	5.6
69.03433	46.2
69.07072	9.3
71.04990	1.2
73.02921	5.4
81.03434	6.9
83.04978	0.7
84.04510	10.6
84.08115	0.7
85.02908	89.2
86.09706	9.7
87.04469	26.6
87.08114	11.1
91.03959	3.5
91.05479	8.5
97.02892	37.2
97.06500	0.6
97.10152	0.7
99.04452	6.0
101.02435	0.7
102.36510	0.6
103.03929	3.0
103.05447	0.7
107.04961	1.0
109.02879	7.3
111.04409	0.8
115.03931	26.6
115.07561	3.8
119.04935	8.8
120.08105	37.2
121.06506	2.6
123.04411	0.7
127.03909	17.0
130.05019	2.7
131.04909	0.9
132.10219	2.5
133.04970	22.8
133.08580	0.7
135.04308	0.7
136.07579	100.0
145.04973	23.0
147.04410	4.2
149.05971	0.9
163.05989	4.2
166.08615	15.5
169.04977	1.3
186.09169	1.5
187.23619	0.7
232.09671	1.2
241.07022	1.4
249.15944	1.2
259.08264	1.1
277.09143	2.7
278.10287	1.0
278.13846	1.1
289.29520	0.8
295.12869	5.3
295.16544	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	295.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89149	0.9
53.03958	0.9
55.01882	22.5
57.03443	36.7
58.23203	0.9
59.04997	5.7
61.02932	16.4
69.03431	45.6
69.07076	1.5
69.21741	1.2
71.01348	4.7
71.04990	2.4
73.02920	68.4
81.03419	6.5
81.07043	2.2
83.05007	1.6
85.02904	100.0
85.05174	2.0
85.46371	1.3
87.04478	13.6
91.03944	4.3
93.29359	1.2
95.08582	2.4
97.02892	50.5
99.04449	2.7
100.65574	1.1
103.03952	7.7
107.08557	1.3
109.02879	9.0
109.10126	4.5
115.03928	38.8
119.08580	1.1
127.03913	22.2
133.04962	53.4
145.04950	21.8
163.06023	8.0
184.37175	1.0
199.05858	1.4
210.21385	1.2
241.06938	1.9
259.08200	2.3
277.09164	1.0
292.88937	1.1
295.20404	1.5
295.23666	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	295.1024
Annotation	6-Tuliposide B
Peak:m/z	Relative Intensity
52.79461	0.9
53.00323	1.3
53.03942	0.9
55.01887	1.0
55.05548	0.8
57.03447	24.1
57.03704	1.3
59.05014	5.2
61.02937	2.0
62.47181	0.9
67.05508	1.4
69.03436	100.0
69.07074	15.3
69.64399	0.9
72.08175	2.4
72.93800	1.1
73.02933	5.5
73.06576	4.9
74.06095	1.1
75.04498	4.5
81.03419	10.2
81.03802	0.7
83.05001	2.3
84.04501	1.9
84.08169	6.0
85.02911	72.6
86.09708	18.1
87.04472	73.7
91.05483	1.8
95.04974	1.5
97.02890	79.1
97.06551	5.1
99.04458	9.5
102.30781	0.9
103.03960	8.0
103.05470	1.0
103.77860	1.1
107.04995	1.1
109.02913	4.3
115.03928	69.2
115.07562	12.5
117.05527	1.0
120.04478	2.2
120.08123	10.6
123.04490	1.9
127.03912	13.5
129.10277	5.0
133.04965	68.8
136.06194	4.6
136.07590	12.4
140.49716	1.2
145.04974	18.9
150.07748	59.0
151.03946	1.9
153.53732	1.1
157.04965	1.6
161.04456	1.0
162.04184	2.3
162.05481	1.3
165.00044	6.9
169.04971	2.2
187.06041	1.4
192.99438	1.7
199.05927	1.1
229.07135	1.3
241.06989	1.7
259.08112	4.1
277.09354	7.3
295.07413	2.1
295.11243	3.9
295.16641	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	295.1286
Annotation	Aspartame
Peak:m/z	Relative Intensity
52.68080	0.5
56.05037	3.5
69.07063	2.5
70.06600	1.1
72.04492	1.0
72.08150	2.7
76.05109	0.7
84.04506	40.0
84.08145	2.4
85.02907	0.9
86.09707	100.0
102.05550	11.9
103.05499	0.6
107.04966	0.7
120.08102	84.8
120.92354	0.7
121.08437	1.0
123.04454	0.9
129.10281	1.3
131.04988	0.9
136.07581	9.3
136.11211	1.2
145.27267	0.7
145.54622	0.6
149.05945	1.3
158.85358	0.6
165.05446	5.7
166.08621	39.0
182.08150	10.7
182.09683	1.0
186.09143	4.7
231.11263	21.6
239.14771	0.8
249.15933	1.2
259.10809	2.4
277.11819	31.0
277.14828	1.4
295.13199	1.2
295.16525	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	295.129
Annotation	Phe Glu
Peak:m/z	Relative Intensity
60.58430	0.2
60.93864	0.2
63.55029	0.2
84.04508	1.9
84.08154	1.5
85.08485	0.5
86.09725	0.3
93.07047	0.4
99.05613	0.3
102.05546	2.0
103.05470	2.2
120.08112	100.0
129.10254	0.5
130.05014	3.7
131.04953	0.3
132.95856	0.3
148.04945	0.3
148.06059	7.6
174.96851	0.3
249.12282	0.9
251.07182	0.2
295.09479	0.5
295.12878	11.6
295.18106	0.3
305.34180	0.3
307.71979	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	295.1288
Annotation	Aspartame
Peak:m/z	Relative Intensity
56.05028	2.0
59.21444	0.3
60.68415	0.3
69.07061	4.0
72.08162	0.7
73.63786	0.4
78.39239	0.4
80.63181	0.5
84.04507	49.8
84.08147	0.8
86.09705	33.1
102.05547	13.0
103.05431	0.5
110.07173	0.9
115.07542	0.7
120.08100	100.0
121.08463	0.6
129.10222	0.9
131.04929	2.0
136.07639	1.6
144.14629	0.5
146.06064	0.5
149.05991	1.9
165.05447	1.9
166.08620	48.1
170.23734	0.4
182.08144	2.4
186.09138	6.1
203.11884	0.4
231.11275	25.0
259.10745	2.5
270.81915	0.4
277.11792	44.5
295.09256	0.8
295.12842	1.6
295.16507	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	295.1288
Annotation	Aspartame
Peak:m/z	Relative Intensity
53.16101	0.4
55.05517	1.1
69.07072	19.0
70.06593	2.2
72.08158	0.6
73.06560	9.9
74.41810	0.5
79.53133	0.4
84.04507	29.7
84.08138	2.5
85.02921	0.8
86.09318	0.7
86.09709	16.9
91.05474	4.2
97.02911	0.5
97.06535	9.4
101.07145	2.5
102.05544	2.8
103.05450	3.7
107.04936	1.0
115.03967	0.6
115.07571	20.8
119.04939	5.4
120.08104	100.0
121.06516	1.0
121.08451	3.6
129.10223	3.0
130.04973	6.1
131.04907	4.3
132.10219	0.8
133.08621	3.0
136.07578	48.9
142.54584	0.6
149.06006	3.2
159.01846	0.5
165.84869	0.5
166.08624	35.7
167.08948	2.3
174.97009	0.5
186.09122	6.7
226.04262	0.5
231.00899	0.5
231.11287	2.8
232.09610	5.5
240.97841	0.6
249.16046	0.9
260.10297	2.1
263.02264	0.5
270.70096	0.5
277.11636	4.0
278.11386	5.2
295.09195	0.9
295.12906	12.7
295.16501	6.9
295.22708	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	295.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28903	0.5
53.03949	0.9
55.01878	1.1
55.68956	0.5
57.03440	5.4
59.04980	0.6
61.02934	9.0
69.03433	21.1
69.07072	14.2
71.04986	2.9
72.08160	1.3
73.02937	4.5
73.06569	0.7
81.03413	5.9
82.36011	0.7
84.04507	4.2
85.02910	100.0
86.09713	10.3
87.04483	6.2
87.08112	14.3
91.03949	5.7
91.05478	8.5
97.02898	23.8
99.04480	5.3
101.02402	0.7
103.03963	1.0
107.04945	1.4
109.02869	7.2
115.03907	5.2
115.07561	0.9
119.04946	7.1
120.08108	19.7
121.06522	1.5
127.03926	19.2
129.10207	0.6
130.04985	0.9
130.72684	0.6
132.10190	1.3
133.04970	4.3
136.07582	87.5
145.04968	26.1
147.04419	2.8
163.06027	5.2
166.08635	6.9
186.09143	1.2
220.09807	0.9
249.15953	1.5
278.88644	0.6
284.78696	0.7
295.07025	0.7
295.12985	2.8
295.16553	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	295.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99102	0.2
55.05521	5.1
57.07084	16.9
57.44872	0.2
60.04523	0.5
65.03918	0.3
67.05511	0.5
69.07076	0.3
73.06567	1.5
79.05509	0.2
79.91298	0.2
81.07054	0.8
92.21161	0.5
93.07041	0.2
95.04951	0.2
95.08609	0.4
99.18873	0.2
105.06986	0.3
119.08607	0.3
121.02866	1.1
123.08025	0.2
129.06981	0.3
131.08571	0.5
136.45212	0.2
149.02342	100.0
161.06006	1.3
167.03384	1.1
171.11673	0.2
174.37242	0.3
175.07518	4.3
184.40512	0.2
203.07024	4.7
205.08609	1.3
221.08066	0.4
223.09770	0.2
235.16750	0.3
263.17456	0.5
277.14322	6.1
278.21942	0.9
295.20111	1.0
295.24179	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	295.1651
Annotation	H-TYR-ILE-OH
Peak:m/z	Relative Intensity
50.89621	0.4
53.03952	0.3
54.07581	0.4
55.01878	0.8
56.05035	0.4
57.03434	2.3
61.02940	3.2
66.37733	0.4
69.03428	12.5
69.07067	5.4
73.02913	2.7
73.06551	0.6
81.03419	1.8
84.04507	18.5
84.08157	0.5
84.62215	0.4
85.02906	39.8
86.09698	9.4
87.04469	3.9
87.08102	5.0
91.03938	1.8
91.05480	6.4
94.93593	0.4
97.02338	0.6
97.02896	10.7
99.04458	1.9
101.02341	0.5
103.03913	0.5
103.05456	1.1
107.04956	0.9
109.02866	3.2
112.07583	0.4
115.03913	5.4
115.07513	0.7
119.04941	8.7
120.08104	58.8
121.06503	1.7
127.03899	8.2
130.04996	3.9
130.08635	0.7
131.04900	3.8
132.10194	3.0
133.04965	3.1
133.08597	0.6
136.07582	100.0
142.08720	0.5
145.04961	10.1
145.06116	0.7
147.04388	0.9
148.25475	0.4
149.05948	1.0
162.27654	0.5
163.06047	2.0
166.08624	24.6
184.76906	0.5
186.09113	4.6
200.01706	0.4
215.90549	0.5
232.09619	4.4
240.47168	0.4
249.16028	2.2
278.10272	2.8
278.13770	2.1
285.04117	0.4
295.12878	7.0
295.16568	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	295.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05019	0.4
57.03445	0.4
61.68485	0.3
65.62476	0.3
69.03431	1.8
69.07066	1.9
70.06601	0.8
71.23483	0.3
73.02911	0.4
81.03430	0.4
81.07099	0.4
84.04510	20.1
84.08159	0.9
85.02898	2.5
86.09711	100.0
87.04477	0.7
91.05470	0.5
95.04997	0.5
95.08598	0.8
97.02914	1.4
102.05549	4.9
115.03938	0.7
115.07570	0.7
120.04480	0.5
120.08107	43.4
121.08455	2.2
123.04414	0.8
125.65350	0.4
129.10254	0.7
131.04904	0.4
133.04999	0.6
136.07573	9.2
145.04929	0.5
146.05991	0.4
147.04402	3.5
149.05986	0.7
150.07764	0.9
157.03465	0.4
164.18359	0.4
165.05476	5.9
166.08640	18.4
166.10048	0.6
174.96945	0.4
176.05635	0.8
182.08150	10.5
186.09158	2.2
231.11304	7.8
249.16080	0.9
259.10907	0.6
272.70062	0.5
277.11850	16.9
295.09128	2.1
295.12961	1.8
295.16467	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	295.1651
Annotation	H-TYR-ILE-OH
Peak:m/z	Relative Intensity
50.05890	0.4
51.30127	0.4
55.09114	0.4
56.05051	1.1
69.07079	0.8
84.04507	38.8
84.08153	0.9
85.02906	0.7
86.09709	100.0
102.05556	9.0
103.05495	0.7
113.33445	0.5
114.94495	0.4
118.38142	0.5
119.04895	0.5
120.08105	81.1
121.08424	2.1
123.04428	0.9
129.10295	0.8
131.04941	1.0
136.07587	9.2
146.06013	0.5
147.04381	1.1
149.06024	1.5
165.05486	5.6
166.08629	35.3
182.08109	10.8
186.09180	4.7
231.11269	18.5
239.29552	0.5
249.15959	0.6
259.10727	1.1
277.11810	31.6
293.08151	0.5
295.12939	2.5
295.16595	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	295.1652
Annotation	Tyr Leu
Peak:m/z	Relative Intensity
56.05048	0.5
61.07771	0.3
73.97225	0.3
74.02431	0.4
86.09700	4.3
91.05482	7.5
111.97224	0.4
119.04940	9.7
121.06485	2.2
132.10193	0.8
136.07582	100.0
147.04474	0.4
203.06116	0.4
249.15944	0.6
278.13828	1.5
295.16492	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	295.1651
Annotation	H-Ile-Tyr-OH
Peak:m/z	Relative Intensity
51.30990	0.3
55.00074	0.4
56.05037	0.6
56.61539	0.4
69.07072	8.2
78.10681	0.4
83.06113	2.7
84.04521	2.2
84.06446	0.9
84.08155	0.5
85.04859	0.7
86.09712	100.0
89.59836	0.4
104.71676	0.4
109.60921	0.4
114.38529	0.5
115.21908	0.4
120.04504	0.6
120.08104	7.0
121.08447	2.8
124.91883	0.4
129.10228	0.6
136.07603	6.0
147.04413	0.6
165.05484	3.5
166.08629	0.6
167.08984	0.9
174.12323	0.5
182.08136	6.2
187.09395	0.6
232.11707	0.8
277.13837	3.1
278.12210	1.8
295.09433	0.7
295.16611	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	295.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
54.17028	0.9
55.05519	11.6
55.08614	0.8
57.03439	1.1
57.06870	0.9
57.07082	18.4
59.69846	0.9
62.32906	0.9
65.03993	0.8
67.05509	11.0
69.07069	35.5
71.08635	21.0
79.05513	9.7
81.03410	0.9
81.07061	14.1
83.04977	1.8
83.08625	20.5
85.06550	2.5
85.10184	1.1
86.06074	2.2
86.09676	1.0
87.02693	5.2
91.05501	10.3
93.07042	10.3
95.04951	2.2
95.08597	11.1
97.06512	4.0
97.10170	12.3
99.08098	3.9
100.07597	4.2
103.05471	2.3
105.07030	65.4
106.07832	5.0
107.08593	10.7
108.59766	1.0
109.10168	5.3
111.08079	5.3
111.11755	1.8
114.09172	1.8
117.07091	1.0
119.08568	4.4
121.06465	1.9
121.10141	8.9
123.11691	4.3
125.09628	4.4
133.06483	76.5
133.10149	2.3
134.07269	39.1
135.08051	100.0
135.11613	8.4
137.04179	2.1
137.09630	1.6
139.11134	1.7
143.08830	1.7
149.13223	2.3
151.07538	34.2
151.11192	2.2
161.09584	1.9
163.11209	1.5
163.14743	2.0
165.03687	67.4
167.05232	10.8
178.33493	1.1
179.05267	16.4
179.14282	1.3
183.04729	1.2
219.21144	7.7
237.22142	7.4
254.24776	50.7
263.20016	8.6
277.16174	44.9
277.21506	5.6
278.22012	1.2
295.17270	46.4
295.22342	4.0
295.27698	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	295.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.3
56.05025	3.5
57.03432	0.6
57.07062	0.6
59.05006	0.7
60.05656	23.3
67.05499	3.4
69.03427	0.8
69.07029	1.7
69.26115	0.5
70.06574	0.7
71.08646	6.3
71.34651	0.5
74.06074	1.1
76.25282	0.5
79.05489	3.4
80.05003	3.7
81.03440	0.7
81.07061	4.6
82.02932	0.8
83.08598	0.7
85.02885	2.2
85.06519	0.6
87.04459	0.9
91.05445	1.9
93.05790	0.8
93.07044	8.5
94.06570	11.5
95.04970	0.7
95.08601	4.1
96.04516	4.2
96.05627	4.4
96.08121	0.7
98.07153	2.1
99.08087	1.3
102.05531	2.1
105.07017	1.1
106.99194	0.5
107.04966	0.5
107.08578	3.8
108.04507	6.1
108.08093	0.8
108.57409	0.6
109.06444	0.8
109.10143	0.9
109.57792	0.5
110.06033	2.3
111.06707	2.1
116.08197	0.9
117.07030	0.8
118.06557	1.1
120.08087	0.6
122.06062	5.5
122.78107	0.6
124.07577	0.6
124.11210	2.3
131.07294	0.7
132.08092	2.3
134.09641	0.9
135.06830	1.0
135.08018	2.8
136.07655	3.8
136.11212	1.1
152.10674	4.8
153.13805	2.5
159.09097	0.9
161.01132	0.6
164.10730	11.1
164.14340	2.5
166.13348	2.6
169.13310	0.9
174.12787	1.2
177.09793	0.6
177.13893	1.0
178.12283	0.9
179.15402	1.0
180.09953	0.6
181.13316	2.6
190.12288	1.0
192.13828	25.9
194.12909	9.2
198.53369	0.6
207.14920	14.2
208.13275	2.6
209.16461	5.8
210.14696	1.2
225.16032	1.3
231.06610	0.6
234.15956	3.0
235.14445	3.9
236.10474	0.8
236.12798	17.6
237.17027	0.8
250.89716	0.6
251.18652	3.3
253.15463	22.4
254.13794	2.6
277.13562	1.8
277.16333	1.5
278.11942	0.5
278.15063	1.3
295.14478	11.6
295.17615	100.0
295.20581	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	295.1902
Annotation	[6]-Gingerol
Peak:m/z	Relative Intensity
55.01880	1.2
55.05521	1.0
56.86554	0.5
57.07088	0.6
59.68089	0.5
62.42245	0.5
67.05504	3.7
68.05835	0.5
69.07071	3.2
71.08612	0.5
79.05489	1.3
81.07059	11.6
83.04978	2.1
83.08630	1.3
85.06554	0.6
85.12018	0.5
93.07049	2.9
95.08617	4.3
97.10160	0.8
107.08602	3.5
109.06516	3.7
109.10175	1.3
111.04441	11.9
111.08066	1.0
119.08612	1.1
121.10162	3.5
123.11723	0.9
125.05997	3.7
131.08571	1.1
133.06523	0.9
133.10135	2.4
135.08083	1.0
135.11713	3.1
137.05984	100.0
137.13290	0.7
145.10135	0.7
147.08055	0.9
147.11703	2.3
149.09627	4.2
151.07555	1.4
161.09651	4.8
161.13260	2.6
163.11160	0.8
165.09047	2.2
175.11195	3.4
179.10611	1.2
181.12216	0.6
189.12752	0.8
193.12158	0.8
203.17961	3.3
213.16402	3.2
231.17400	4.6
249.18462	6.1
277.17972	41.9
278.21982	4.0
295.19141	5.4
295.24637	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	295.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42285	0.4
55.01874	1.8
55.05514	0.9
57.07089	0.7
58.96022	0.4
62.41951	0.4
67.05508	3.0
67.50121	0.3
69.07072	3.0
79.05493	2.0
81.07061	10.7
83.04984	1.1
83.08620	1.8
85.06516	0.4
91.05481	0.5
93.07044	2.1
95.08610	3.8
97.06509	0.6
101.61154	0.4
105.07063	0.8
107.08585	2.5
109.06547	4.3
109.10144	1.9
111.04452	11.5
119.08584	1.8
121.10159	2.4
123.08060	1.6
123.11565	0.4
125.05975	3.2
125.09653	0.4
131.08580	0.6
133.10152	2.9
135.08063	0.8
135.11694	3.1
137.05988	100.0
137.13268	0.8
145.10266	0.7
147.08043	0.6
147.11670	3.7
149.09694	3.0
149.18959	0.4
151.07550	2.6
151.11249	0.5
155.79445	0.5
157.10164	0.7
159.11769	0.5
161.09645	4.7
161.13342	1.5
163.11195	2.3
165.09140	2.3
167.10655	0.5
175.11198	3.4
175.14856	0.5
177.12709	0.5
179.10707	0.8
182.01541	0.5
189.12697	0.8
198.65376	0.5
203.18015	4.5
213.16412	2.1
231.17470	4.8
249.18483	5.6
251.36742	0.5
277.17978	40.1
295.19016	6.6
295.22128	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	295.2266
Annotation	13(S)-HOT
Peak:m/z	Relative Intensity
53.00298	1.1
53.03944	1.0
55.01882	16.4
55.05519	28.2
55.71000	0.8
57.03408	2.1
57.07088	8.5
65.03914	0.9
67.05512	45.1
67.05870	1.7
67.69102	0.7
67.99024	1.0
69.03405	4.6
69.07071	26.2
71.04968	3.5
71.08635	37.5
73.46267	0.8
74.19552	0.9
79.05496	31.5
81.03421	9.7
81.07059	50.4
83.04987	10.4
83.08624	28.1
85.06494	4.1
85.10191	8.6
91.05475	22.0
93.07045	39.5
95.04965	12.8
95.08608	33.3
97.06532	13.1
97.09601	1.0
97.10170	22.9
99.08089	23.8
105.07035	17.7
107.04929	4.0
107.08596	27.9
109.06468	5.8
109.10155	22.4
111.08082	24.4
113.09648	8.5
117.06963	4.1
119.08584	20.9
121.06445	1.6
121.10141	20.3
123.08059	7.4
123.11700	7.4
125.09619	15.8
129.06935	2.0
131.08504	4.9
133.09203	1.2
133.10127	21.1
135.08044	1.3
135.11696	18.8
137.09621	7.5
137.13177	3.6
139.07481	1.2
139.11124	5.1
141.12650	1.4
143.08476	4.7
145.10129	7.4
147.07971	1.1
147.11688	20.1
149.02333	16.6
149.09550	4.3
149.13239	10.6
149.51013	0.8
151.11174	32.3
153.08911	1.1
153.12692	3.7
155.10674	0.9
157.10178	5.9
159.11601	4.0
161.13220	16.6
163.11162	14.6
163.14746	1.7
165.12759	17.0
168.29001	0.9
171.10268	1.0
171.11627	7.2
173.13193	4.3
175.11055	1.3
175.14714	5.8
177.12672	1.3
179.14330	13.8
181.12212	1.2
183.85692	0.8
185.13148	5.6
185.26987	0.9
187.14812	0.9
189.11099	7.7
189.12650	2.4
193.12137	1.0
193.15729	1.8
195.13634	1.0
198.05859	0.9
199.14694	4.3
205.25409	0.9
207.13774	2.4
217.19370	1.6
221.15266	1.5
231.21097	6.0
235.16904	1.3
235.35590	0.9
241.19490	6.4
249.21959	4.4
259.20587	10.6
277.21619	100.0
278.21982	7.1
295.22519	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	295.2266
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
55.05528	15.6
55.05742	1.7
57.03437	2.5
57.07077	3.7
67.05508	32.5
69.03429	3.1
69.07069	20.5
70.82050	2.3
71.04980	2.1
71.08636	84.3
79.05495	29.4
81.03413	4.6
81.07056	37.9
83.04976	12.2
83.08620	13.2
85.06538	2.7
91.05486	23.4
93.07030	45.9
95.08609	28.4
97.06525	5.1
97.10173	5.1
99.07544	3.0
99.08096	44.8
105.07040	22.1
107.04979	9.9
107.08575	23.1
109.10155	16.0
111.08093	3.3
117.06979	4.1
118.93568	1.9
119.08557	15.2
121.10107	14.6
123.11672	3.1
125.09657	2.7
127.11237	2.5
129.07050	2.5
131.08585	3.8
133.10121	10.7
135.11708	20.4
137.09601	5.1
143.08560	2.9
145.10106	5.0
147.11693	13.2
149.13274	10.4
151.11188	42.7
153.12779	3.9
161.13222	29.2
163.11151	13.0
163.14893	3.8
167.10677	3.2
171.11703	7.8
173.13272	4.7
179.14302	24.4
185.13255	7.6
189.12846	3.1
221.15295	3.0
241.19562	14.4
259.20413	3.9
277.18533	3.2
277.21606	100.0
293.61377	2.3
295.22687	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	295.2267
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
53.03947	3.5
55.05514	12.9
57.02780	2.2
57.11975	1.8
65.34187	1.8
67.05506	32.1
69.07065	39.4
79.05085	2.9
79.05480	21.9
81.03428	38.9
81.07054	33.7
83.04980	14.8
83.08607	3.6
91.05484	19.4
93.07038	30.9
95.04961	35.4
95.08610	14.8
97.06483	3.2
97.10194	8.1
105.07014	18.8
107.08598	23.8
109.06525	5.4
109.10139	9.6
117.07007	3.6
117.79036	2.3
119.08536	3.5
121.10139	3.5
122.53439	2.4
123.11669	4.8
125.09637	10.8
133.10139	14.8
135.11720	9.4
137.06010	10.3
143.08505	2.7
147.11690	11.2
149.13220	5.9
150.51263	2.6
151.11172	32.9
155.81227	2.2
157.10094	2.9
161.13274	13.3
163.14813	3.3
165.12830	2.6
171.11650	2.3
177.12726	2.8
220.77937	2.8
231.20952	2.7
241.19627	4.6
255.00266	2.7
259.20679	2.8
277.18549	4.5
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	295.2266
Annotation	9(S)-HOT
Peak:m/z	Relative Intensity
55.01878	9.7
55.05520	24.1
56.71461	1.4
57.03451	2.6
57.07073	9.7
66.48560	1.7
67.05511	26.8
69.03426	2.4
69.07077	22.2
71.04990	8.0
71.08224	1.4
71.08624	9.7
79.05496	21.8
81.03426	2.8
81.07066	37.4
83.04977	9.2
83.08624	18.7
85.06561	2.3
88.67317	1.7
90.19872	1.6
91.05508	16.5
93.07039	37.1
94.07365	3.1
95.04958	7.5
95.08610	23.8
97.02921	7.5
97.06533	8.0
97.10173	11.3
99.08090	7.5
105.07047	19.4
107.08606	25.0
109.06538	7.2
109.10156	11.8
111.08106	13.7
117.07027	2.3
119.08585	11.2
121.10162	12.9
122.10490	1.8
123.08052	3.8
123.11688	3.6
125.09648	2.4
127.03902	2.5
129.07077	2.2
131.08585	8.4
133.06505	100.0
133.07516	4.3
133.10143	11.8
135.08009	2.8
135.11694	10.1
139.11179	7.5
143.08479	1.7
147.11665	11.6
149.09567	1.9
149.13293	6.8
151.11186	10.9
153.10759	1.7
153.12782	2.8
161.13269	10.6
165.12730	4.2
175.11115	2.3
179.14388	2.5
189.11237	1.9
193.12146	1.8
195.13870	2.0
224.96361	2.1
254.24702	2.0
259.20511	3.7
277.21628	33.3
278.21979	12.7
295.22525	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	295.2266
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
55.05528	15.6
55.05742	1.7
57.03437	2.5
57.07077	3.7
67.05508	32.5
69.03429	3.1
69.07069	20.5
70.82050	2.3
71.04980	2.1
71.08636	84.3
79.05495	29.4
81.03413	4.6
81.07056	37.9
83.04976	12.2
83.08620	13.2
85.06538	2.7
91.05486	23.4
93.07030	45.9
95.08609	28.4
97.06525	5.1
97.10173	5.1
99.07544	3.0
99.08096	44.8
105.07040	22.1
107.04979	9.9
107.08575	23.1
109.10155	16.0
111.08093	3.3
117.06979	4.1
118.93568	1.9
119.08557	15.2
121.10107	14.6
123.11672	3.1
125.09657	2.7
127.11237	2.5
129.07050	2.5
131.08585	3.8
133.10121	10.7
135.11708	20.4
137.09601	5.1
143.08560	2.9
145.10106	5.0
147.11693	13.2
149.13274	10.4
151.11188	42.7
153.12779	3.9
161.13222	29.2
163.11151	13.0
163.14893	3.8
167.10677	3.2
171.11703	7.8
173.13272	4.7
179.14302	24.4
185.13255	7.6
189.12846	3.1
221.15295	3.0
241.19562	14.4
259.20413	3.9
277.18533	3.2
277.21606	100.0
293.61377	2.3
295.22687	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	295.2265
Annotation	17-Hydroxylinolenic acid
Peak:m/z	Relative Intensity
55.01875	15.0
55.05520	25.0
57.07077	5.0
64.13827	2.6
67.05512	51.2
69.07061	17.3
71.08634	41.5
74.53683	2.7
77.45354	2.2
79.05508	25.0
80.13450	2.9
81.03426	4.1
81.07055	43.1
83.04981	11.1
83.08620	26.4
84.28972	3.6
85.10188	3.5
91.05486	14.8
93.07035	36.4
95.04968	4.7
95.08596	32.8
97.06528	11.6
97.10149	20.1
99.08096	24.2
101.76154	2.7
105.07022	19.7
107.08591	31.3
109.06507	4.2
109.10155	18.2
111.08096	27.2
113.09616	3.2
114.00008	2.9
119.08590	16.5
121.10127	13.7
123.08022	3.4
123.11722	5.3
125.09663	9.9
129.06993	3.2
133.10097	15.0
135.11714	11.4
137.09644	2.9
139.11133	5.4
145.10104	4.3
147.11737	25.8
149.09557	3.9
149.13275	15.9
151.11188	36.6
153.12663	3.3
159.11652	2.8
161.13264	16.5
163.11159	12.4
165.12752	20.6
171.36337	2.9
173.64294	3.0
179.14307	6.3
187.89394	2.9
190.96626	3.1
210.09593	3.1
252.64842	3.2
259.20468	14.6
277.21582	100.0
295.22601	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	295.238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.9
55.05516	4.8
57.03437	2.9
57.43716	1.9
67.05515	29.6
69.03414	2.4
69.07061	17.3
72.96595	1.9
73.02917	3.4
79.05494	24.7
81.07059	31.1
83.08617	11.7
85.02913	10.0
85.06559	3.8
91.05492	31.1
93.07047	35.9
95.04967	3.7
95.08598	23.3
97.02894	4.5
97.05973	2.1
97.06541	13.6
97.10176	5.1
99.08068	2.2
105.07050	21.5
107.04994	16.1
107.08601	22.9
109.06544	3.3
109.10186	13.4
111.08047	4.4
117.07020	14.1
119.08567	29.2
121.06494	12.4
121.10145	27.7
123.08093	4.4
123.11727	4.0
125.09639	4.4
126.09148	3.9
128.06979	2.5
129.07028	4.4
131.08562	30.7
133.10121	31.1
135.08064	29.2
135.11702	19.3
137.09668	7.8
139.07549	3.4
140.10719	2.6
141.07056	2.5
143.08545	10.5
145.10132	32.7
147.08023	8.1
147.11720	12.5
149.09621	37.4
149.13242	4.8
151.11212	3.1
155.08598	3.3
156.10268	2.5
157.10138	10.5
159.11707	40.7
161.09677	3.0
161.13235	5.2
163.11182	28.1
165.26865	2.6
169.10086	4.0
171.11703	3.0
173.13188	2.2
174.46146	2.2
177.12759	13.8
183.11673	11.0
197.13327	3.6
201.16418	16.0
215.17926	12.0
225.16331	31.6
233.19038	5.3
243.17422	35.1
260.20129	26.6
261.18491	100.0
264.40533	2.3
277.15366	2.8
278.21124	65.4
286.52917	2.4
295.16748	3.5
295.20581	8.0
295.23825	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	295.242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.3
55.85035	0.5
57.07060	2.9
59.59487	0.6
67.05502	6.4
69.07067	4.6
75.49277	0.6
79.05480	3.5
80.95616	0.6
81.07060	13.9
83.08638	1.6
91.05464	3.0
92.18126	0.6
93.07053	7.4
95.08610	16.0
97.10205	2.4
105.07045	6.3
107.08598	9.7
107.33714	0.7
109.10159	13.0
119.08588	23.1
121.10152	9.5
123.11697	3.9
129.07039	1.2
131.08553	4.3
133.06502	1.4
133.10149	8.6
135.11720	5.2
137.13277	1.4
143.08524	4.7
145.10126	59.1
147.11690	7.2
149.13286	5.7
156.09338	1.2
157.10124	9.9
159.11670	13.5
161.13220	5.8
163.14827	4.8
169.10121	3.1
171.11673	25.8
173.13277	13.3
174.65863	0.8
175.14803	3.6
183.11719	4.0
184.12471	1.2
185.13280	15.3
187.14798	5.6
197.13217	3.2
199.14838	9.8
201.16397	2.9
211.14810	3.8
213.16411	3.6
225.16328	6.4
239.17955	8.4
241.13435	0.7
246.78555	0.7
253.19429	3.3
267.21042	2.7
278.21909	0.7
295.24203	100.0
311.34506	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.263
Annotation	Sterculic acid
Peak:m/z	Relative Intensity
55.05516	45.2
55.37057	8.1
56.58258	10.1
57.07071	17.3
58.94627	8.8
59.55521	9.2
67.05506	41.0
69.07064	84.1
71.08607	13.7
79.05469	12.6
81.07066	100.0
83.08627	74.7
83.09071	8.7
83.44962	9.6
91.05498	14.0
93.07062	36.4
95.08605	81.5
97.10168	43.7
105.07050	19.1
105.08788	9.3
107.08624	21.6
109.10152	54.8
111.08073	12.0
111.11697	9.9
119.08569	20.3
121.10138	38.6
122.53059	9.9
123.08073	9.0
123.11711	19.8
125.12334	9.7
125.13311	9.7
133.10141	39.2
135.11699	21.2
145.21182	10.2
147.11691	19.0
158.26529	11.6
161.13260	16.3
163.14857	16.1
175.14798	12.4
245.22618	76.5
253.44354	10.3
263.23657	82.9
295.23117	25.5
295.26175	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	296.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.7
55.05515	9.5
57.03443	1.7
57.07085	35.5
58.29609	1.3
59.25504	1.2
59.70081	1.4
62.08335	1.1
64.38767	1.2
66.75581	1.2
67.05515	44.8
69.07062	10.3
71.04993	2.1
79.05498	3.5
81.07061	48.8
83.04994	2.1
83.08624	8.7
84.00524	1.7
85.06073	2.1
85.06547	33.4
90.10682	1.3
91.05476	3.2
93.07047	10.8
95.08609	66.5
97.06534	7.6
97.10176	6.0
105.07042	1.9
107.08600	7.7
109.10160	34.5
111.08183	1.6
113.09650	19.6
119.08538	3.2
121.10137	9.3
123.11697	14.3
131.08578	2.2
133.10117	2.5
135.11687	7.4
137.13257	6.1
140.93271	1.4
146.09418	1.4
146.45825	1.5
147.11765	1.6
149.13263	2.9
151.14723	1.7
153.12813	1.8
159.11728	1.7
161.13297	10.2
173.13176	2.0
175.11761	1.8
179.14264	2.0
195.17467	9.4
212.20042	1.7
223.16862	1.6
243.21013	1.9
261.22131	9.0
279.23169	100.0
295.02780	1.4
296.25867	37.1
303.62912	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	296.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79944	1.7
55.01878	7.6
55.05515	10.8
56.80458	1.5
57.03440	3.0
57.07087	4.3
63.76369	2.3
67.05511	54.5
69.07064	11.6
69.45270	1.8
71.08638	43.8
79.05482	2.9
81.07061	80.0
83.05003	2.5
83.08620	13.8
91.05509	7.2
93.07049	13.1
95.08609	95.3
97.06572	1.9
97.10178	3.2
99.08094	31.2
105.07043	2.4
107.08565	9.6
109.10160	41.9
111.08063	15.2
119.08559	4.3
121.10128	14.1
123.11710	13.1
127.11163	11.1
135.11723	4.3
137.13309	3.4
145.10136	3.3
147.11707	18.6
149.13271	8.0
151.14790	2.4
163.14757	3.7
181.15898	3.0
201.07251	2.2
201.94055	2.1
233.22771	2.5
261.22150	4.7
279.23212	100.0
286.71091	2.4
296.25845	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	296.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	27.2
55.05519	18.1
57.07082	3.1
57.20992	1.2
58.63628	1.4
66.01122	1.4
67.05513	37.9
69.07068	28.8
71.04991	2.3
72.44903	1.5
77.64260	1.4
79.05499	12.8
81.07063	60.4
83.04976	9.1
83.08630	13.0
85.06536	9.3
85.10182	2.5
87.08110	2.4
91.05462	2.5
93.07041	21.6
95.08613	53.2
97.06534	8.5
97.10168	15.9
101.63576	1.5
107.08596	16.8
109.10172	24.8
113.09582	2.0
121.10152	24.3
123.11707	9.0
125.09627	50.7
131.08521	2.6
133.10141	1.9
135.11694	16.7
137.13237	8.0
139.11179	1.4
145.10147	3.1
147.11734	2.8
149.09665	1.9
149.13240	3.4
151.11133	1.5
153.12746	2.7
159.11713	2.5
161.13307	1.9
163.11172	2.4
163.14799	2.9
173.13271	1.9
181.12292	3.0
181.15849	3.1
193.15913	1.8
195.13783	3.0
198.14857	2.3
202.52785	1.7
233.22737	2.2
243.21065	3.0
251.23671	9.0
261.22128	7.7
279.20084	3.3
279.23172	100.0
296.22729	3.2
296.25833	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	296.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43816	1.5
52.81792	1.4
55.85210	1.5
57.03434	2.2
57.07085	100.0
57.30786	1.5
58.07835	1.7
58.29705	1.6
59.41162	1.4
67.05512	22.1
69.07056	4.0
79.05506	4.0
79.63440	1.6
81.07062	23.3
83.08635	3.7
91.05499	2.2
93.07030	7.0
95.08616	19.1
97.06550	2.1
107.08634	4.1
109.10163	21.9
112.26530	1.6
119.08585	7.2
123.11732	3.8
127.11198	49.0
133.10161	2.1
134.11285	1.8
135.11682	20.1
137.09628	8.8
137.13249	2.5
143.61295	1.9
146.17891	1.7
153.12727	7.0
154.23318	1.7
169.12257	24.9
169.15971	1.8
173.33287	1.9
181.15839	2.3
190.98219	1.9
261.22195	9.4
279.20111	3.3
279.23190	71.8
285.93506	2.2
296.25821	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	296.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28052	2.5
55.05513	2.7
57.03440	4.4
57.03778	2.3
57.07081	95.2
67.05501	31.0
68.04103	2.6
69.07081	6.2
71.08632	100.0
74.23174	2.9
78.17430	2.7
79.05480	6.3
81.07065	57.3
83.08599	4.5
93.07022	6.6
95.08603	24.2
97.06526	2.9
105.07007	3.5
109.10134	10.8
121.10172	24.6
123.08070	19.4
123.11692	13.7
135.11726	4.1
139.11130	9.4
141.12744	71.9
156.13860	5.6
169.15833	4.5
183.13823	41.8
228.23776	3.0
251.23698	6.3
261.22067	11.2
279.23184	56.1
296.25793	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	296.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94281	2.0
55.01881	32.2
55.05512	15.9
57.03429	2.3
57.07077	5.9
59.34031	2.3
60.16048	2.2
65.61410	1.9
67.05507	37.9
67.23386	2.2
69.07070	66.1
69.31618	2.4
79.05496	18.7
79.97310	2.3
81.07066	38.5
83.04984	10.1
83.08626	36.3
83.39309	2.3
84.93284	2.1
85.06542	4.2
85.10204	3.3
93.07045	31.3
95.08610	44.0
97.06514	12.1
97.10175	6.0
107.08575	31.0
109.10162	21.4
111.08090	5.0
119.08607	4.4
121.10126	20.9
123.11716	5.7
125.09669	2.9
131.08543	2.6
133.10115	4.5
135.11723	29.5
137.13239	5.5
145.10110	4.4
149.13255	3.2
153.12749	45.7
165.16316	2.5
170.11864	4.0
173.13226	2.8
208.70023	2.6
212.17421	2.6
233.22708	5.4
243.21014	3.4
251.23787	2.8
261.22070	18.5
279.23199	100.0
296.25861	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	296.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06032	4.4
54.57323	4.0
55.01876	25.9
55.05513	26.0
57.07085	87.7
58.39390	3.7
59.24390	3.4
63.55305	3.4
67.05515	83.2
69.07070	56.2
71.05002	7.7
71.08628	5.0
73.84950	4.1
77.43964	4.6
79.05502	41.9
79.19726	4.5
81.07065	90.0
81.81820	4.2
83.08634	91.9
91.05486	6.8
93.07049	74.6
95.08611	94.7
97.06542	9.2
97.10173	21.2
105.48686	4.6
105.76686	4.9
107.08598	73.4
109.10162	52.0
111.04575	4.6
111.08087	16.9
115.11139	4.1
119.08581	5.0
121.10146	100.0
123.11691	18.9
127.11182	31.2
131.08565	6.5
132.90108	4.1
133.10112	6.1
135.11702	77.7
137.09703	4.2
137.13245	8.4
139.07552	6.8
147.11731	5.1
149.13293	31.4
151.14807	5.6
156.10268	4.6
167.14302	27.5
169.12230	40.5
233.22588	59.0
238.20369	5.1
243.21054	20.6
261.22141	44.9
279.23196	96.1
296.25824	72.7
297.24493	5.0
308.54156	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	296.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42704	0.9
55.01880	2.1
55.05518	19.0
57.03443	1.2
57.07084	36.4
63.31201	0.8
67.05521	13.2
69.06704	1.5
69.07073	45.2
71.05003	1.4
71.08633	21.7
72.04511	3.7
72.08146	1.6
79.05479	5.2
81.06615	1.8
81.07065	29.3
83.05014	3.1
83.08628	41.7
85.06532	1.9
85.10190	8.2
86.06053	6.4
86.09705	1.3
93.07050	14.9
95.08611	28.9
97.06545	12.5
97.10172	29.3
99.08097	1.3
100.07615	12.3
104.04789	0.9
106.99235	1.1
107.08588	11.1
109.10154	15.5
111.08088	11.7
111.11719	12.3
113.09608	1.3
113.22678	0.9
114.09184	12.4
119.08580	1.5
121.10147	17.3
122.58294	1.1
123.11720	9.9
125.09634	7.1
125.13257	3.4
127.11189	2.0
128.10739	6.8
128.14326	1.0
135.11693	16.9
137.13210	3.5
139.11182	6.3
142.12244	1.7
149.13249	9.3
151.14810	0.9
153.12741	4.8
156.13795	3.9
163.14815	6.9
167.14268	1.8
170.15413	4.5
177.16389	2.1
177.55974	1.0
179.17903	1.1
181.15851	2.0
184.16940	1.5
198.18472	1.7
202.58028	1.1
205.19676	1.0
212.20094	1.1
219.21202	1.3
226.21526	1.1
261.22180	2.0
261.25742	15.9
279.23184	12.8
279.26819	20.3
296.25995	8.0
296.29468	100.0
298.49243	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	296.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	19.3
55.09690	1.9
57.06837	1.7
57.07088	38.6
61.14396	2.0
67.05188	1.8
67.05503	18.7
69.07076	60.4
71.04974	2.7
71.08634	21.7
72.04451	2.0
76.35989	1.6
79.05494	4.6
81.07056	35.0
83.04977	2.7
83.08620	49.6
85.06548	3.1
85.10171	9.5
86.06063	7.9
88.10656	1.7
92.21494	2.1
93.07032	11.9
95.08611	27.0
95.18453	1.8
97.06515	12.7
97.10175	37.4
98.05098	1.8
100.07623	16.6
107.08615	16.1
109.10189	19.2
111.08080	15.9
111.11756	14.0
114.09174	16.5
121.10100	15.6
123.11734	4.5
125.09615	4.5
125.13297	2.2
128.10721	9.1
132.81668	1.8
135.11707	21.7
139.11211	4.0
147.11708	2.3
147.29041	2.3
149.13242	10.9
153.12846	2.4
163.14798	4.1
167.39153	1.9
176.58997	2.0
177.16374	2.8
182.87331	1.9
190.43541	1.9
252.31482	2.0
261.25806	15.8
274.37332	2.1
279.23157	16.7
279.26807	21.2
296.25906	7.4
296.29462	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0764
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28487	0.5
60.75866	0.5
63.22155	0.5
66.21756	0.5
68.02522	1.1
70.06581	0.9
79.68322	0.7
83.06054	0.7
84.08147	0.8
101.01736	13.9
109.05131	0.7
117.48071	0.6
120.08090	1.0
122.07142	1.3
126.07764	1.0
127.06159	11.5
138.82564	0.7
143.02995	0.6
143.03862	20.5
150.07758	21.7
151.07259	7.0
152.09305	27.7
162.15654	0.7
163.08646	3.4
169.07220	6.9
170.30894	0.7
178.07222	22.9
184.06480	1.0
185.04880	4.9
186.68694	0.7
192.08722	4.7
194.10382	6.4
196.08299	45.3
197.06628	0.7
209.05949	5.1
211.07620	6.3
228.05481	12.0
238.09343	23.8
255.06560	38.9
256.04843	1.0
270.06464	1.0
297.07639	100.0
297.14316	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	297.112
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98647	0.2
55.01883	0.4
56.05036	1.4
57.45969	0.3
61.04117	0.3
69.07057	1.4
70.06580	0.5
86.06061	1.9
86.09725	0.5
88.31699	0.3
91.05466	0.3
93.07051	0.4
98.09683	5.1
104.05328	0.8
114.10291	0.4
120.08122	0.7
126.09119	0.6
165.07018	1.9
166.07759	2.4
167.08548	0.6
168.05646	0.4
177.06883	0.4
178.07811	0.6
178.99155	0.4
179.08540	3.5
181.06535	0.6
181.10152	2.9
189.06993	0.8
189.43057	0.4
190.07838	2.0
191.08534	12.7
193.06396	0.5
194.07251	3.7
194.15437	0.7
195.08025	1.6
205.06447	6.0
207.08057	17.2
208.08769	3.6
209.09604	9.5
212.16516	1.3
217.06381	1.3
218.07214	1.9
219.08032	10.5
220.08846	0.6
221.06012	1.9
222.06744	12.7
223.07541	2.0
225.20699	2.9
233.05972	5.2
234.06738	0.5
235.07565	4.8
236.08327	5.4
237.09097	19.1
237.11475	0.8
239.07016	2.1
247.07584	3.9
247.18729	0.4
248.08328	0.5
249.05531	1.5
250.06230	4.0
251.06998	1.4
252.07819	0.6
253.08598	1.4
254.09456	0.6
255.10143	5.2
263.07001	2.9
264.07727	3.0
265.08578	57.4
266.09351	2.1
267.06476	5.3
269.11743	0.5
279.10159	0.7
282.08847	40.2
297.11200	100.0
297.21878	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	297.1122
Annotation	4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin
Peak:m/z	Relative Intensity
51.28976	0.3
61.10697	0.4
67.05518	0.4
69.03445	0.6
84.75209	0.4
90.85545	0.4
95.08590	0.5
102.55293	0.5
123.35616	0.5
132.53749	0.5
145.06468	0.6
165.06963	1.8
166.07764	1.8
167.08556	0.6
177.06975	0.7
179.08548	5.5
181.10103	3.1
189.07042	0.8
190.07722	1.0
191.08562	12.2
193.06400	0.7
194.07306	3.1
195.07968	1.7
205.06471	7.0
206.07362	0.5
207.08066	15.8
208.08844	2.5
209.09659	7.5
216.33804	0.4
217.06442	1.0
218.07242	1.8
219.08012	11.8
219.89700	0.4
220.08841	0.4
221.05980	2.2
222.06734	13.0
223.07600	0.7
233.05991	6.8
234.06703	0.7
235.07474	5.6
236.08327	6.1
237.09087	18.5
239.06871	0.7
247.07565	3.5
250.06290	3.0
251.07010	0.6
252.07954	0.5
253.08534	0.7
254.09253	0.5
255.10121	5.3
256.26321	0.5
263.06998	2.6
264.07770	3.7
265.08578	54.0
266.09387	2.1
267.06421	5.1
279.10095	0.7
282.08841	42.3
290.56009	0.4
297.11203	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	297.1266
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05046	61.7
60.72863	0.5
61.01159	23.0
63.07657	0.4
64.32583	0.4
69.04540	0.5
69.07092	0.5
71.07431	0.5
71.08604	0.4
74.06069	4.4
79.64848	0.4
81.07071	0.6
84.04519	0.5
84.05610	0.6
84.08155	0.9
86.09723	0.6
91.05475	0.6
95.27265	0.4
97.06579	0.6
98.72738	0.4
104.05338	100.0
105.06998	0.5
107.08630	0.5
110.62536	0.5
120.07229	0.7
120.08102	20.0
129.10278	0.8
132.08095	0.5
138.37032	0.6
143.21216	0.5
155.10332	0.5
166.08621	12.9
166.09848	0.8
175.08670	2.1
180.92307	0.5
186.09198	0.7
203.11931	0.7
206.10165	0.9
215.03882	0.6
232.09769	2.3
249.12369	5.1
251.12206	0.6
256.26465	0.7
265.08652	0.7
297.12860	12.0
297.18454	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	297.1333
Annotation	Vomitoxin
Peak:m/z	Relative Intensity
50.92972	0.1
55.01884	0.1
55.05516	0.7
57.03440	0.3
57.07077	0.8
61.02929	0.3
67.05505	0.7
69.03436	2.9
69.07079	0.2
71.04964	0.2
71.08624	0.8
73.02902	0.1
79.05518	1.2
81.03423	0.3
81.07078	1.4
81.07472	0.2
82.07395	0.2
83.04977	1.3
83.08610	0.3
85.02909	0.8
85.10167	0.2
87.04465	0.3
91.05479	0.3
92.21237	0.2
93.07037	0.6
95.08609	0.8
96.08916	0.2
99.04458	0.2
99.08115	0.3
103.05453	0.3
105.07034	3.4
107.08602	2.4
109.10176	0.9
111.04439	0.8
113.00112	0.1
113.09621	0.2
119.08633	0.2
121.10167	0.6
123.08051	1.6
123.11647	0.2
129.05501	1.1
133.06500	100.0
135.11783	0.2
147.06520	0.3
147.11694	0.2
151.07491	1.4
185.13261	1.0
197.13293	0.2
201.59332	0.1
210.73688	0.1
256.26355	0.3
262.22351	0.2
279.12259	1.6
279.23154	0.7
280.23441	1.0
297.13345	1.8
297.22131	1.4
297.25653	0.2
313.06186	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	297.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.3
67.05486	1.2
69.07056	0.7
79.05473	0.4
81.07053	1.5
83.08187	0.3
88.50215	0.3
91.05494	0.4
93.07014	1.4
95.08595	2.0
97.10133	0.3
104.86497	0.3
107.05013	0.3
107.08607	0.7
109.10107	0.4
121.10136	0.4
121.15977	0.3
130.06451	0.4
132.08067	0.4
135.11641	0.5
142.06531	0.7
145.17513	0.3
154.06409	0.4
159.09151	2.3
159.11638	0.3
160.49379	0.3
163.22227	0.3
181.07605	0.3
182.08403	4.3
183.06757	1.4
183.09137	0.4
184.07411	0.3
195.09229	1.1
196.07545	3.7
224.14413	0.5
233.12442	0.3
251.15411	3.6
252.13846	1.7
256.26132	0.4
279.14893	29.1
280.13309	4.7
297.15961	100.0
297.41281	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	297.192
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28526	1.0
55.05520	2.5
57.07098	1.1
58.04085	6.7
67.05512	3.0
68.05025	8.6
69.07054	3.0
71.44772	1.2
71.61189	1.2
72.04512	2.7
74.06084	36.9
76.05121	3.2
80.05022	3.3
81.07053	3.4
83.85001	1.2
94.06577	3.2
95.08588	1.8
96.04501	12.4
108.08113	9.9
108.71803	1.6
109.10181	3.2
110.06049	5.5
116.08216	100.0
118.05019	6.9
122.09691	1.5
138.12808	23.2
142.84822	1.3
149.02388	2.6
150.12779	5.5
152.14354	7.9
160.07133	14.0
164.14391	2.1
166.12274	62.9
166.63864	1.5
171.30154	1.3
176.14372	2.0
178.15915	25.3
194.15425	16.8
196.16992	2.1
210.11247	5.6
222.14798	3.1
238.14386	10.7
253.20227	19.1
297.19241	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	297.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	5.9
57.07065	4.4
60.23557	3.6
67.05505	32.2
74.91944	4.6
78.80669	4.0
79.05505	43.5
79.93059	3.9
81.07054	61.8
83.08614	7.2
91.05479	9.6
91.11946	4.2
93.07050	70.6
95.08612	96.4
105.07018	36.5
107.08588	100.0
109.06492	5.9
109.10162	18.7
111.08075	5.8
117.06992	4.9
119.08569	9.2
120.53268	4.4
121.10168	54.3
131.08553	37.6
133.10161	5.7
135.11710	6.5
142.70915	4.3
145.10141	44.1
147.11684	7.5
159.11696	10.0
161.13225	5.1
177.16422	7.3
187.14845	82.2
205.15871	58.0
243.34538	4.8
258.72574	5.0
261.95422	5.0
297.20743	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	297.206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05560	1.7
55.05510	3.8
55.53588	1.7
57.03443	4.2
67.05515	31.0
67.20037	1.8
69.07065	4.3
72.15342	1.9
73.06312	2.0
76.96666	2.1
79.05496	43.6
81.07069	76.9
83.08627	9.0
91.05486	14.5
92.21114	2.7
93.07050	80.3
94.92001	1.9
95.08002	3.0
95.08614	90.2
95.09199	4.2
97.06526	10.7
97.10159	4.3
99.08086	3.3
105.07046	29.5
106.69167	2.3
107.08608	100.0
109.06541	3.6
109.10156	19.3
111.08097	8.3
113.09639	3.2
117.07002	4.5
119.08597	12.6
121.10140	56.0
131.08565	38.6
133.10130	4.8
135.11708	10.6
145.10124	46.6
145.79089	2.1
147.11722	9.3
159.11676	10.9
161.13237	3.2
163.14833	2.7
165.53862	2.4
177.16391	14.2
187.14827	97.8
205.15886	70.2
279.19681	5.0
297.20551	8.8
301.55975	2.4
310.27930	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	297.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
54.62474	1.0
55.05509	5.4
57.07069	5.4
58.92768	1.0
61.87066	1.0
67.05515	12.8
69.03429	2.0
69.07055	5.6
71.05009	1.6
71.08634	15.3
79.05485	5.1
81.07056	16.3
82.07391	1.5
83.04960	2.1
83.08608	2.3
85.06525	1.7
85.10172	2.3
91.05478	4.7
93.07054	9.6
95.08611	19.6
96.08942	1.9
97.10170	1.8
99.08092	10.6
99.30848	1.1
105.07025	11.0
107.08624	8.9
109.10168	9.4
113.09629	1.6
114.81316	1.0
117.07009	1.4
119.08556	9.4
121.10163	9.8
122.10469	1.1
123.08046	2.3
123.11723	4.6
125.09597	1.4
131.08546	4.8
133.06496	89.6
133.07509	4.5
133.10144	11.0
135.11693	5.2
136.12079	1.3
143.08545	6.1
145.10124	7.6
147.11700	17.9
149.13245	1.4
155.08586	2.2
157.10098	2.4
159.11656	11.2
161.13321	1.5
163.11217	1.5
163.14722	1.6
169.10078	2.2
171.11696	9.0
173.13235	5.1
180.40312	1.2
181.10133	1.6
183.11710	9.0
185.13249	45.4
189.12729	9.0
195.11681	4.9
196.12553	1.3
197.13312	8.0
199.14745	4.8
209.13293	4.1
211.14816	9.0
212.15590	1.9
213.16412	2.1
215.14325	1.7
223.14926	8.2
223.16693	1.1
225.16397	2.0
236.15648	1.6
237.16423	4.6
241.15981	1.9
249.16295	1.2
251.17915	4.4
253.19513	2.3
254.16652	2.4
256.26212	2.4
261.22131	1.9
264.18558	1.8
267.21075	1.6
269.22427	4.0
279.11905	1.8
279.20801	29.9
279.23358	8.2
280.23596	9.1
297.22095	100.0
297.25745	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	297.2421
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
55.01881	6.0
55.05515	31.1
57.03448	3.3
57.07078	14.9
65.25741	2.9
67.05515	50.3
69.03426	3.9
69.07077	49.9
71.04990	3.9
71.08621	14.5
74.13954	2.7
77.98240	2.6
79.05495	29.8
81.06607	5.3
81.07063	79.1
82.07375	4.1
83.04979	6.1
83.08630	29.9
91.05464	3.1
93.07057	34.5
93.43884	3.2
94.28947	3.1
95.08617	60.2
97.06568	3.3
97.10165	41.9
105.07027	3.0
107.08588	31.6
109.10158	33.9
111.08202	3.0
119.08619	4.5
121.10165	32.8
122.10487	4.4
123.11687	17.3
125.09634	21.8
131.08585	5.8
133.10126	3.7
135.11703	18.6
137.13252	5.4
139.11148	3.8
142.13113	5.1
145.10144	3.5
147.11693	4.2
149.13203	3.8
152.23399	2.9
161.13275	3.8
173.13287	3.8
189.11230	7.3
223.16974	5.5
236.95988	3.3
249.15506	3.2
261.22113	17.5
275.71017	4.0
279.23178	100.0
280.23611	12.8
297.23788	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	297.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88898	3.1
55.05511	7.4
67.05503	37.1
69.07061	14.4
79.05498	20.5
79.90813	3.0
81.07065	40.5
83.08621	16.3
91.05467	20.9
93.07044	35.6
95.08606	46.1
97.10149	8.0
101.14789	3.6
105.07040	4.8
107.08611	33.7
109.10139	17.5
116.87646	3.8
119.08559	18.8
121.10146	72.8
123.08107	4.7
131.08568	4.3
133.06322	3.9
133.10120	21.0
135.11693	46.9
137.09633	20.6
139.11142	3.9
145.10149	8.3
147.11681	29.0
149.09641	6.9
149.13222	7.6
151.11169	16.1
161.13272	7.4
163.11192	14.3
163.40849	4.2
169.58131	3.6
171.11710	6.0
185.13222	13.8
227.17979	16.5
245.18999	14.2
262.21884	5.7
263.20020	61.2
280.22781	100.0
297.22083	25.3
297.25546	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	297.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88898	3.1
55.05511	7.4
67.05503	37.1
69.07061	14.4
79.05498	20.5
79.90813	3.0
81.07065	40.5
83.08621	16.3
91.05467	20.9
93.07044	35.6
95.08606	46.1
97.10149	8.0
101.14789	3.6
105.07040	4.8
107.08611	33.7
109.10139	17.5
116.87646	3.8
119.08559	18.8
121.10146	72.8
123.08107	4.7
131.08568	4.3
133.06322	3.9
133.10120	21.0
135.11693	46.9
137.09633	20.6
139.11142	3.9
145.10149	8.3
147.11681	29.0
149.09641	6.9
149.13222	7.6
151.11169	16.1
161.13272	7.4
163.11192	14.3
163.40849	4.2
169.58131	3.6
171.11710	6.0
185.13222	13.8
227.17979	16.5
245.18999	14.2
262.21884	5.7
263.20020	61.2
280.22781	100.0
297.22083	25.3
297.25546	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	297.9853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67402	0.5
56.96564	0.8
69.87702	0.5
70.95860	3.8
83.59331	0.6
85.53647	0.5
88.96915	1.3
97.28569	0.5
98.97581	24.2
98.98249	0.8
116.98621	17.5
116.99395	1.0
118.49062	0.6
119.01960	1.1
122.29118	0.7
134.99657	8.6
150.96819	0.6
153.00726	0.9
156.53264	0.6
161.33318	0.6
190.94983	3.6
203.02562	0.9
208.95953	8.5
214.94989	1.0
219.02071	1.2
224.95558	0.8
232.95956	33.4
233.96690	3.4
246.03644	0.6
247.94711	1.1
250.97011	39.9
256.96091	7.6
261.03113	1.3
274.97086	100.0
292.98218	63.2
293.05487	0.8
315.99780	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	298.0968
Annotation	5'-S-Methylthioadenosine
Peak:m/z	Relative Intensity
54.50903	0.2
61.01162	4.3
63.58616	0.2
70.41148	0.2
70.85933	0.2
75.02716	2.0
76.74191	0.3
97.02892	1.8
103.02157	0.4
136.06186	100.0
145.03183	1.6
163.04239	1.1
270.39270	0.3
298.09686	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	298.1149
Annotation	Nelarabine  
Peak:m/z	Relative Intensity
61.01162	0.4
62.62589	0.3
66.46080	0.3
80.19396	0.2
97.02866	0.3
110.07175	0.6
124.05148	0.3
126.07736	0.5
130.07767	0.2
136.06189	10.5
149.04553	1.5
150.05461	0.9
150.16251	0.3
165.06230	0.2
166.07239	100.0
167.05643	2.0
191.08592	0.2
193.10867	1.6
207.86238	0.2
230.06158	0.2
238.07021	0.2
239.11478	1.9
268.00323	0.3
269.59647	0.2
274.43051	0.2
298.11542	3.2
298.15155	0.7
298.18527	0.4
303.00864	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	298.1146
Annotation	2-Methylguanosine
Peak:m/z	Relative Intensity
55.01886	0.4
57.03456	0.5
59.05014	1.3
59.75746	0.3
61.02935	0.3
62.41911	0.2
69.03442	1.7
70.06593	1.8
72.08171	0.8
73.53786	0.2
74.06118	0.4
75.53960	0.3
79.08996	0.4
80.39402	0.3
80.77444	0.3
82.10747	0.3
84.08157	1.8
85.02913	0.7
85.04060	0.4
86.04353	0.3
87.04464	0.3
88.03996	0.4
97.02879	0.5
100.46854	0.3
101.02394	0.3
101.05995	3.5
108.63868	0.3
109.02940	0.3
110.07181	1.3
115.03945	0.4
119.03433	0.6
119.04934	0.5
119.07066	1.6
120.08090	0.4
127.03948	0.5
128.04546	0.3
129.10245	1.7
136.06172	4.5
136.07553	3.9
137.07919	0.6
138.05511	0.4
149.04572	1.2
152.05673	65.2
153.04089	2.2
156.07678	0.4
165.05431	0.3
166.07231	100.0
167.05612	3.0
239.11340	0.5
252.10555	0.4
263.07361	0.4
266.08826	0.4
286.56235	0.3
298.10791	0.5
298.13834	0.6
298.18378	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	298.1146
Annotation	2-Methylguanosine
Peak:m/z	Relative Intensity
53.67519	0.2
54.77277	0.3
55.05506	0.4
57.03452	0.7
57.04597	0.3
58.14751	0.3
59.05009	1.7
61.02928	0.3
63.29530	0.3
67.17912	0.3
69.03452	1.8
69.07117	0.3
70.06589	1.2
73.02969	0.3
74.94461	0.3
84.08163	0.6
85.02921	1.4
87.04463	0.6
87.71624	0.3
97.02910	0.7
101.06020	6.0
110.03544	0.6
110.07185	0.4
115.03905	0.5
119.07076	1.6
126.82341	0.3
128.04543	0.7
131.16594	0.3
135.03069	0.7
136.06192	4.7
136.07555	0.6
140.07091	0.4
147.06483	0.3
147.07681	0.3
149.04533	1.0
152.05673	90.8
153.04085	3.0
164.08983	0.5
166.07234	100.0
167.05641	5.2
207.08066	0.4
239.07117	0.3
248.23505	0.3
277.35886	0.3
298.04895	0.4
298.11325	2.1
298.14703	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	298.1285
Annotation	Phenyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside
Peak:m/z	Relative Intensity
52.73925	1.0
57.03447	1.5
58.72568	0.9
68.69776	1.0
69.03433	5.5
72.04547	2.0
72.08155	1.3
76.05124	5.5
85.02901	4.8
87.03224	9.4
87.04444	2.3
91.05475	18.2
97.02872	1.2
100.63290	1.0
103.05466	2.6
105.07036	2.0
107.04951	1.8
108.04452	2.0
110.07131	1.8
114.05544	1.9
115.03940	2.1
120.08104	42.4
130.06509	15.0
131.04895	7.3
131.05795	21.8
132.08093	26.3
136.06143	1.5
144.08107	9.7
156.08078	16.5
162.09103	8.0
166.08664	5.0
168.08034	2.6
170.09613	2.3
171.08037	1.7
174.09149	1.7
176.07051	1.8
198.09145	14.7
216.10193	22.4
217.61694	1.1
233.04967	4.7
234.11256	78.5
244.09731	4.3
252.12331	10.1
262.10721	58.6
272.27747	1.3
280.11795	100.0
298.12738	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	298.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05391	0.2
54.43166	0.2
55.05511	0.2
59.73986	0.2
60.04534	0.2
62.68333	0.2
69.80041	0.2
70.06594	1.0
72.04559	0.3
74.06067	0.3
79.89053	0.3
80.62947	0.3
84.08144	2.0
86.09721	1.1
102.60571	0.3
107.04943	0.4
110.07159	1.7
120.08091	1.2
121.08487	0.3
124.58730	0.2
129.10260	1.5
134.51384	0.3
136.06198	0.5
190.08691	0.9
248.13921	0.4
252.17102	1.2
254.08128	1.6
254.11731	0.6
255.12595	1.1
258.74475	0.3
268.09705	0.5
282.07614	1.3
282.11206	1.1
283.08591	1.1
283.12015	17.7
298.14380	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03512	0.9
54.32449	0.9
54.66195	1.0
55.01876	1.0
55.05515	7.1
56.05050	1.0
56.39149	1.0
59.05009	34.0
61.02930	2.6
64.62955	1.0
69.03436	7.3
70.06572	1.4
73.02914	1.2
73.06551	5.4
76.43701	1.1
81.03435	1.8
81.07075	1.5
85.02905	20.6
86.09693	1.4
87.04475	51.9
91.05486	33.5
93.62075	1.1
97.02895	5.5
101.06024	47.2
101.56122	1.1
109.02868	2.4
110.07136	1.2
119.07056	82.4
120.08106	2.7
127.03911	7.0
132.07957	1.0
136.06110	8.9
136.11223	100.0
144.91859	1.1
145.05016	2.7
151.14833	1.0
152.05722	2.3
154.08539	1.4
262.10812	1.2
280.11688	1.5
298.02551	9.5
298.16635	25.2
315.49716	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	298.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	2.6
57.07052	1.8
60.04535	100.0
64.10883	1.5
67.05496	7.8
69.07062	8.8
79.05474	6.9
81.07061	18.8
83.04989	1.7
83.08624	2.2
83.18607	1.5
84.04508	6.9
88.03992	3.2
91.05489	8.1
92.21455	2.0
93.07034	3.3
95.08613	6.3
96.04478	8.5
97.06518	1.9
105.07017	6.6
106.05030	3.3
107.08574	6.0
115.40359	1.5
118.01742	1.4
119.08556	8.1
121.10129	7.6
122.06046	1.7
123.04416	2.1
123.11674	6.8
124.07590	2.9
124.22501	1.9
133.10136	13.1
138.09143	1.7
142.04939	2.3
147.11687	17.4
165.12743	9.3
175.11150	3.4
193.12189	3.9
206.11845	2.3
206.15427	12.7
215.14487	1.5
216.13780	2.5
234.14894	85.4
252.15926	52.6
262.14502	2.2
266.15640	2.1
270.16934	8.4
280.15411	26.3
298.16470	81.2
309.94284	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	298.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48569	0.4
55.05505	2.6
55.05741	0.3
55.47279	0.3
57.03423	1.1
58.50962	0.3
59.05008	4.9
61.02917	1.9
61.23389	0.4
61.72849	0.4
69.03427	5.5
69.27423	0.3
69.50402	0.5
70.06577	1.1
73.06549	2.3
74.06067	0.7
77.01964	0.4
79.41305	0.4
79.97219	0.5
81.03431	1.7
81.07029	0.7
84.08141	1.1
85.02909	14.4
85.57943	0.4
87.04473	7.4
91.03918	1.0
91.05479	36.0
97.02895	6.6
99.04462	1.0
101.06020	9.0
109.02868	1.9
116.07057	0.5
118.45382	0.4
119.07054	9.2
120.08088	2.1
121.08404	0.4
127.03886	4.5
129.10120	0.6
132.08028	0.5
136.06177	3.2
136.11215	100.0
145.04951	3.3
152.05675	2.0
154.08687	0.5
168.10201	0.5
198.09140	0.6
210.26314	0.5
234.11191	2.9
262.10693	0.9
280.11749	2.8
298.02582	4.5
298.11517	1.2
298.16476	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	298.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83807	0.7
60.04548	0.8
69.07080	1.0
70.06590	1.2
70.09772	0.8
81.07049	1.1
83.18909	0.8
92.20955	1.3
95.08617	1.1
96.04512	1.2
96.05644	0.9
105.07052	0.9
105.42474	0.9
110.02515	0.7
110.07166	10.0
124.05079	0.8
126.06628	26.1
126.07491	1.6
133.10089	1.4
138.06633	5.0
140.04562	4.2
150.12819	0.9
152.10674	1.2
178.12256	3.1
192.15024	3.0
196.13190	1.4
202.13519	3.0
206.11739	1.5
208.14453	1.5
220.14462	10.7
228.15933	4.7
230.12891	4.0
236.13893	10.7
238.15553	9.4
248.13979	10.3
254.14981	17.8
255.15843	1.3
266.15002	28.0
266.17990	1.6
280.16586	21.3
298.17624	100.0
298.21619	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	298.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94011	0.5
55.05514	1.4
55.65095	0.7
57.07051	0.6
57.76810	0.7
60.05640	4.5
60.37217	0.6
67.05498	4.0
69.07056	3.2
69.99551	0.6
70.06574	0.8
71.04982	2.7
79.05486	5.4
79.94655	0.7
81.07060	5.5
83.08615	0.9
84.05643	0.8
85.06545	58.5
86.06062	9.5
87.04467	19.6
88.63181	0.6
91.05448	2.3
93.07041	25.8
95.04930	0.8
95.08602	4.4
96.04453	0.7
96.05610	1.3
97.06516	3.2
104.07095	8.0
105.07059	1.1
107.08591	16.8
109.06523	2.6
109.10135	3.7
110.07153	5.7
111.05591	1.2
116.08179	0.7
118.29863	0.6
119.70700	0.6
121.06477	0.7
126.06634	1.0
128.08186	4.2
129.06580	1.2
129.10278	0.9
134.07133	0.8
135.11681	4.2
138.06630	4.9
146.09248	83.0
170.09305	1.1
178.12149	1.1
202.13580	0.8
204.91611	0.7
220.14438	12.4
236.12901	0.9
238.15515	4.1
248.13918	9.3
266.14969	48.5
266.17819	1.6
280.16895	1.5
280.20084	10.6
298.10947	5.9
298.17709	7.2
298.21240	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	19.4
57.07084	40.9
67.05515	38.4
69.07074	44.6
71.08635	50.8
79.05486	4.3
81.07065	93.7
83.08626	46.3
85.06609	2.1
85.10199	32.7
87.26079	1.8
91.05467	4.7
93.07050	8.0
94.87438	1.6
95.08614	100.0
97.06539	4.0
97.10170	34.7
105.07008	7.8
107.08597	7.8
109.10163	62.6
111.07251	1.9
111.08058	3.3
111.11716	11.3
119.08578	7.5
121.10126	10.7
123.11697	22.9
127.07569	2.9
127.11324	2.5
133.10158	15.1
135.11726	8.1
137.09610	3.5
137.13260	13.1
139.14867	2.5
147.11699	9.8
149.13271	7.7
151.14857	4.0
155.14311	9.8
161.13271	9.7
161.57719	1.9
163.14790	4.3
165.12723	2.9
165.16396	2.3
169.15915	3.7
172.78653	1.9
175.14752	3.6
179.14317	2.8
179.17995	2.2
191.03088	2.0
235.24167	10.4
237.23372	2.1
245.22679	24.8
263.23676	39.4
280.26279	9.5
281.24753	29.3
298.27374	53.4
298.30981	15.8
299.25775	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	298.2738
Annotation	3-Ketosphingosine
Peak:m/z	Relative Intensity
55.05319	2.4
55.05526	38.6
57.03434	4.0
57.07080	18.9
67.05507	34.7
67.88387	2.6
69.07069	86.4
71.04987	2.4
71.08633	45.7
73.49320	2.3
81.07062	50.6
83.05005	2.8
83.08625	85.0
85.10185	47.1
91.05473	5.6
93.07038	12.6
95.08609	64.6
97.06509	10.6
97.10183	68.1
99.08083	32.8
105.07011	5.5
106.95544	2.7
107.08580	18.2
109.10175	41.0
111.08059	5.6
111.11723	25.8
113.09652	27.6
119.08601	11.2
121.10131	10.7
123.11686	12.7
125.09626	3.6
125.13270	5.8
133.10138	18.6
135.11722	11.8
137.09619	3.4
137.13242	4.5
147.11673	10.0
149.13257	6.2
150.62820	2.7
151.14827	4.2
161.13235	14.7
161.49876	2.7
163.14854	5.9
165.12729	5.0
165.16415	3.0
167.42867	2.3
175.14793	6.1
179.14383	3.9
183.14093	2.9
186.22083	3.3
189.16423	6.0
193.15950	4.3
227.04070	3.3
235.24170	3.6
245.22670	12.5
253.25072	3.3
257.87027	2.6
261.95496	2.7
263.23654	21.6
281.24637	15.7
298.27380	75.8
299.25815	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	298.2739
Annotation	3-Ketosphingosine
Peak:m/z	Relative Intensity
54.05124	2.5
55.05519	50.0
56.04445	2.4
57.06823	4.5
57.07083	80.1
67.05511	46.6
68.49443	2.6
69.07069	100.0
71.08634	68.5
79.05479	13.6
81.07060	93.3
83.08620	92.0
85.06531	3.7
85.10201	22.6
91.05477	13.0
93.07047	18.8
95.08610	93.9
95.71234	3.1
97.06522	5.5
97.10161	58.2
105.07049	6.2
107.08601	23.8
109.10155	49.6
111.08083	3.3
111.11732	28.5
119.08553	17.8
121.10125	22.3
123.08053	4.2
123.11687	30.0
125.09631	3.7
125.13290	4.8
127.11187	6.5
133.10149	31.2
135.11717	14.2
137.09616	6.2
137.13258	5.2
139.11118	3.8
141.12735	19.1
147.11678	18.3
149.13252	4.1
151.11191	6.3
151.14830	5.0
155.14305	15.1
158.71994	3.7
161.13274	18.7
163.14790	3.6
165.12737	4.1
165.16205	3.4
175.14902	5.0
179.14183	5.2
189.16458	5.4
193.15825	4.7
203.18077	3.3
208.94342	3.1
245.22604	37.1
253.25093	4.0
263.23633	34.5
280.26263	14.3
281.24649	26.0
298.27405	83.9
299.25867	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	298.2738
Annotation	3-Ketosphingosine
Peak:m/z	Relative Intensity
55.05518	15.4
56.05053	3.3
57.07076	9.6
57.20956	1.7
67.05508	22.9
69.07068	29.9
71.08623	9.4
75.26801	1.4
79.05488	9.1
81.07062	26.9
82.06586	7.0
83.08629	23.0
85.06552	2.4
85.10173	7.4
91.05470	3.4
93.07038	7.6
94.06551	2.4
95.08607	26.7
97.06506	1.8
97.10191	12.4
99.08092	7.5
105.07045	6.8
107.08588	7.3
109.10147	13.2
111.11760	5.6
113.09657	3.8
119.08586	6.8
121.10140	4.1
123.11710	7.0
125.13210	2.2
133.10143	6.8
133.40823	1.6
135.11708	2.0
147.11647	7.3
161.13252	2.3
163.14861	1.6
178.98666	1.7
245.22733	3.3
250.25262	8.0
262.25226	3.1
263.23804	6.3
280.26343	100.0
283.89935	1.7
298.27420	22.7
299.25656	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	298.274
Annotation	3-Ketosphingosine
Peak:m/z	Relative Intensity
50.85499	2.9
54.60793	3.1
55.05527	36.0
57.07082	38.8
57.39339	3.0
64.74236	3.2
67.05513	41.7
69.07082	65.4
71.08633	37.9
79.05508	6.0
81.07071	97.1
83.08637	67.9
85.10179	19.0
91.03696	3.3
93.07038	19.4
93.57362	3.8
94.52571	3.3
95.08612	100.0
97.06469	3.8
97.10178	39.8
101.14688	3.5
105.07021	8.3
107.08606	8.7
109.10173	46.8
111.08131	4.4
111.11703	16.2
119.08604	6.1
121.10162	13.4
123.11710	20.4
130.58043	4.1
133.10133	20.9
135.11678	6.3
137.13300	6.7
147.11720	5.7
149.13167	5.5
151.11215	4.5
161.13237	7.9
163.64697	4.3
165.12686	4.9
167.93556	4.8
175.14838	5.5
235.23952	3.9
245.22633	30.0
263.23746	42.2
280.26364	64.8
281.24707	30.6
298.27411	49.9
299.25894	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	298.2739
Annotation	3-Ketosphingosine
Peak:m/z	Relative Intensity
50.42946	2.8
55.05521	36.7
56.05049	4.5
57.07088	39.5
59.46061	3.0
60.77094	3.2
61.80071	3.6
67.05516	42.4
69.07072	66.3
71.08633	46.3
79.05504	16.0
81.07066	76.9
83.08633	55.2
85.10181	24.4
88.04978	3.7
91.05479	9.5
93.07049	19.6
95.08615	73.0
97.10176	40.5
99.90202	4.2
105.07046	6.5
107.08615	6.9
107.20722	3.6
109.10178	41.0
111.11704	18.1
119.08596	19.3
121.10191	7.7
123.11718	14.6
125.13244	5.0
133.10138	20.0
135.11705	5.5
137.09717	4.3
141.12782	5.9
147.11703	9.3
149.13252	6.1
155.14296	9.2
161.13287	7.2
163.14786	4.9
172.16353	3.6
179.14330	4.3
218.73608	4.4
245.22697	17.2
250.25287	5.2
262.25284	4.7
263.23682	27.5
280.26315	100.0
281.24860	17.3
298.27466	58.3
299.25888	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	298.2739
Annotation	3-Ketosphingosine
Peak:m/z	Relative Intensity
55.05523	50.2
56.04420	4.1
56.05028	5.7
57.07077	48.6
64.03982	4.4
67.05517	42.4
69.07072	95.4
70.92387	3.8
71.04971	6.0
71.08630	43.4
78.01008	4.6
79.05502	5.5
81.07063	100.0
83.03358	3.9
83.08615	74.2
85.10181	10.7
88.02898	4.2
91.05476	6.7
91.27733	4.2
91.66911	4.3
93.07033	27.3
93.15364	4.6
95.07262	4.2
95.08611	97.4
97.06529	10.3
97.10163	71.1
99.08083	5.7
100.07599	6.1
105.07037	9.7
107.08601	10.1
109.10146	44.4
111.08112	5.2
111.11736	17.6
119.08562	17.3
121.10126	18.4
123.08106	4.6
123.11724	25.5
133.10115	26.8
135.11728	7.6
135.35544	4.1
137.13211	8.3
147.11668	21.1
149.13208	6.7
151.11118	6.8
151.15012	5.5
155.14214	6.5
161.13274	10.4
165.16393	6.7
245.22595	38.5
250.25037	6.7
263.23770	35.9
280.26358	69.8
281.24707	7.2
298.27432	58.0
299.25916	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	298.2739
Annotation	3-Ketosphingosine
Peak:m/z	Relative Intensity
52.64093	2.9
55.05525	30.9
56.72926	3.5
57.07080	32.1
64.56669	3.8
67.05517	30.2
69.07081	100.0
71.04959	3.4
71.08637	20.7
75.84746	3.0
79.05515	3.7
81.07063	49.1
83.08621	74.6
85.10192	17.2
91.05482	6.0
93.07045	5.6
95.08616	65.4
97.06536	5.0
97.10178	71.1
99.08097	19.2
105.07046	7.0
107.08580	8.4
109.10156	36.6
111.11730	15.1
113.09639	15.1
119.08582	7.4
121.10166	8.4
123.11711	12.9
125.09604	4.2
125.13281	6.7
133.10129	27.1
135.11713	14.3
137.13301	5.9
144.35942	3.2
147.11688	17.1
149.13226	6.0
161.13216	7.4
163.14757	6.3
165.12769	7.3
179.17917	5.2
189.16260	4.4
193.15857	5.8
204.22740	3.4
244.97873	3.6
245.22754	26.4
263.23669	34.9
280.26392	42.2
281.24722	16.5
298.27420	63.0
299.25858	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	298.274
Annotation	3-Ketosphingosine
Peak:m/z	Relative Intensity
51.33796	4.2
55.05520	48.0
57.07088	93.4
64.86951	3.9
65.03931	4.3
67.05506	37.1
69.07071	100.0
71.08642	61.9
79.05470	7.5
81.07065	91.8
81.83706	5.0
83.08636	80.6
85.10184	6.5
91.05468	6.2
93.07044	25.4
95.08607	67.1
97.06557	7.5
97.10184	57.0
105.07047	9.3
107.08600	23.7
109.10169	56.7
111.11718	26.1
113.09652	6.3
119.08560	22.4
121.10164	23.8
123.11707	32.6
125.13307	8.0
127.11213	7.6
133.10144	25.9
135.11638	8.7
137.13354	6.1
139.42497	4.3
141.12743	32.5
147.11705	20.8
149.13228	7.5
151.11174	7.7
151.14716	6.6
161.13234	10.1
165.12772	8.2
167.14304	5.2
189.16333	6.5
228.39482	5.0
245.22702	23.0
263.23737	39.3
280.26355	38.6
281.24701	11.6
298.27402	99.6
299.25754	75.8
312.75089	5.2
314.02106	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	298.2737
Annotation	Cassine
Peak:m/z	Relative Intensity
55.05515	7.9
57.07083	12.5
60.08160	1.5
63.74613	0.8
65.33617	0.8
65.64902	0.8
67.05502	6.6
69.07067	12.5
71.08641	11.0
74.06062	1.0
81.07073	15.0
83.08616	11.9
85.10180	4.2
88.07630	7.7
91.05470	1.2
91.43562	0.8
93.07043	3.9
95.08611	14.5
97.06529	1.8
97.10156	10.5
102.09191	1.1
105.07007	1.7
107.08597	3.8
109.10155	9.0
111.11723	4.7
116.10741	1.4
119.08627	1.0
121.10124	2.2
123.11704	4.5
130.12270	3.7
133.10129	1.6
135.11708	1.9
137.13237	1.6
141.12740	1.5
147.11665	3.7
149.13264	0.9
155.14330	1.6
157.34906	0.9
165.12769	1.0
245.22658	4.0
256.26373	9.7
257.26569	7.1
263.23569	3.8
280.26312	4.7
281.24484	3.8
298.27408	43.3
298.31033	100.0
299.25858	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	298.3103
Annotation	Palmitoyl N-Isopropylamide
Peak:m/z	Relative Intensity
53.48252	0.6
55.05506	0.8
57.07082	5.2
59.04987	0.6
67.05505	1.0
67.50378	0.6
69.07064	3.0
71.08624	4.4
80.71128	0.6
81.07057	3.2
81.99856	0.6
83.08622	2.6
84.46172	0.6
85.10186	1.6
88.07632	3.6
95.08605	2.8
97.10167	1.4
102.09191	4.8
109.10163	0.8
111.11649	0.7
116.10715	1.5
133.10127	1.0
257.26700	3.7
286.09460	0.7
298.31033	100.0
299.25748	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	299.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	3.4
53.03960	28.1
63.94848	0.8
67.05506	1.8
67.28426	0.7
67.87935	0.7
69.07077	1.5
71.08595	0.8
77.03918	7.5
81.03413	3.5
81.07041	1.2
81.59392	0.8
83.08599	0.9
91.04221	8.9
95.04967	100.0
95.08637	1.2
105.04518	72.9
105.06973	0.8
109.10124	1.1
129.50082	0.8
131.98904	0.7
167.07309	1.5
194.08372	4.0
299.12888	92.9
299.23334	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	299.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	3.4
53.03960	28.1
63.94848	0.8
67.05506	1.8
67.28426	0.7
67.87935	0.7
69.07077	1.5
71.08595	0.8
77.03918	7.5
81.03413	3.5
81.07041	1.2
81.59392	0.8
83.08599	0.9
91.04221	8.9
95.04967	100.0
95.08637	1.2
105.04518	72.9
105.06973	0.8
109.10124	1.1
129.50082	0.8
131.98904	0.7
167.07309	1.5
194.08372	4.0
299.12888	92.9
299.23334	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	299.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00316	1.6
54.46979	1.3
54.50170	1.3
55.01896	1.5
55.05278	2.4
55.05521	44.7
56.05848	8.8
57.03441	6.2
57.07080	96.7
58.07419	16.0
67.05176	2.4
67.05511	43.1
68.05829	10.7
69.07072	100.0
70.07411	26.2
71.04998	8.9
71.08642	15.0
72.07609	1.5
72.08965	2.2
73.06584	2.0
79.05480	9.6
81.06616	2.8
81.07065	64.2
82.07392	19.6
83.04961	3.1
83.08624	82.8
84.08948	29.0
85.06554	3.6
85.10182	36.2
86.10519	12.7
91.05484	10.7
92.05829	1.7
93.07037	21.5
94.07381	6.3
95.04962	2.9
95.08604	65.7
96.08928	29.9
97.06532	9.3
97.09579	3.0
97.10168	58.1
98.10506	28.7
99.08072	3.0
101.06003	1.7
105.07038	12.7
106.07367	7.1
107.08608	13.9
108.08925	7.6
109.06540	1.8
109.10160	45.9
110.10490	22.5
111.08076	3.5
111.11713	24.3
112.12037	10.2
113.09628	24.5
114.09220	1.8
114.09983	7.3
118.54430	1.6
119.08571	13.6
120.08904	7.9
121.10151	19.7
122.10475	11.6
123.08054	2.5
123.11709	17.1
124.12031	10.8
125.09612	2.4
125.13267	2.5
126.13611	2.1
127.11193	19.1
128.11525	11.3
133.10136	16.8
134.10463	12.7
135.11684	12.9
136.12035	7.4
137.09615	8.1
137.13286	7.2
138.09926	2.4
138.13647	5.7
139.11154	2.3
141.12791	1.6
143.10733	2.0
145.10135	3.7
147.11636	11.4
148.12033	10.8
149.13255	6.9
150.13599	3.2
151.11168	3.6
151.14836	2.9
152.11540	2.5
152.15143	2.0
153.12744	2.8
161.13290	7.3
162.13568	9.1
163.14893	2.0
164.15186	3.5
165.12776	6.2
165.16405	3.0
166.13086	3.6
166.16777	2.2
167.14297	2.2
175.14795	6.9
176.15178	7.4
178.16634	1.8
179.14304	5.5
180.14612	3.3
180.18312	1.8
181.15865	2.8
182.16159	2.0
185.15305	1.9
189.16342	1.8
190.16747	3.8
193.15913	5.9
194.16202	3.8
197.13417	1.8
199.14977	1.6
207.17451	3.3
223.20450	1.6
245.22598	6.1
246.22975	23.4
253.25308	3.6
254.25702	2.8
263.23676	6.9
264.24011	29.4
281.26901	13.0
282.25067	20.6
299.20139	9.9
299.28159	77.8
300.20813	1.8
300.26154	64.9
317.73166	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	299.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00316	1.6
54.46979	1.3
54.50170	1.3
55.01896	1.5
55.05278	2.4
55.05521	44.7
56.05848	8.8
57.03441	6.2
57.07080	96.7
58.07419	16.0
67.05176	2.4
67.05511	43.1
68.05829	10.7
69.07072	100.0
70.07411	26.2
71.04998	8.9
71.08642	15.0
72.07609	1.5
72.08965	2.2
73.06584	2.0
79.05480	9.6
81.06616	2.8
81.07065	64.2
82.07392	19.6
83.04961	3.1
83.08624	82.8
84.08948	29.0
85.06554	3.6
85.10182	36.2
86.10519	12.7
91.05484	10.7
92.05829	1.7
93.07037	21.5
94.07381	6.3
95.04962	2.9
95.08604	65.7
96.08928	29.9
97.06532	9.3
97.09579	3.0
97.10168	58.1
98.10506	28.7
99.08072	3.0
101.06003	1.7
105.07038	12.7
106.07367	7.1
107.08608	13.9
108.08925	7.6
109.06540	1.8
109.10160	45.9
110.10490	22.5
111.08076	3.5
111.11713	24.3
112.12037	10.2
113.09628	24.5
114.09220	1.8
114.09983	7.3
118.54430	1.6
119.08571	13.6
120.08904	7.9
121.10151	19.7
122.10475	11.6
123.08054	2.5
123.11709	17.1
124.12031	10.8
125.09612	2.4
125.13267	2.5
126.13611	2.1
127.11193	19.1
128.11525	11.3
133.10136	16.8
134.10463	12.7
135.11684	12.9
136.12035	7.4
137.09615	8.1
137.13286	7.2
138.09926	2.4
138.13647	5.7
139.11154	2.3
141.12791	1.6
143.10733	2.0
145.10135	3.7
147.11636	11.4
148.12033	10.8
149.13255	6.9
150.13599	3.2
151.11168	3.6
151.14836	2.9
152.11540	2.5
152.15143	2.0
153.12744	2.8
161.13290	7.3
162.13568	9.1
163.14893	2.0
164.15186	3.5
165.12776	6.2
165.16405	3.0
166.13086	3.6
166.16777	2.2
167.14297	2.2
175.14795	6.9
176.15178	7.4
178.16634	1.8
179.14304	5.5
180.14612	3.3
180.18312	1.8
181.15865	2.8
182.16159	2.0
185.15305	1.9
189.16342	1.8
190.16747	3.8
193.15913	5.9
194.16202	3.8
197.13417	1.8
199.14977	1.6
207.17451	3.3
223.20450	1.6
245.22598	6.1
246.22975	23.4
253.25308	3.6
254.25702	2.8
263.23676	6.9
264.24011	29.4
281.26901	13.0
282.25067	20.6
299.20139	9.9
299.28159	77.8
300.20813	1.8
300.26154	64.9
317.73166	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	300.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84713	0.3
57.03442	0.4
60.04551	0.9
61.02947	0.4
64.89775	0.3
66.46980	0.3
67.05466	0.4
69.03432	0.8
70.06596	4.5
73.02933	0.5
73.08805	0.4
74.72056	0.4
77.37392	0.4
81.03426	0.6
81.27100	0.4
83.45705	0.4
84.08153	2.5
85.02924	3.0
86.09763	0.4
87.04514	0.4
91.05481	1.7
92.21286	0.5
93.07051	2.0
96.04462	0.4
97.02927	3.2
98.06049	0.5
103.03923	0.4
103.05475	1.8
110.07183	0.5
115.49541	0.4
116.07080	0.7
120.07220	0.5
120.08103	21.6
121.06506	100.0
122.09667	4.1
127.03889	1.6
127.16974	0.4
129.10269	1.6
136.06171	1.7
137.05951	0.8
138.09140	9.1
140.05724	0.5
144.06572	4.7
149.00551	0.9
150.09140	6.1
157.09737	1.0
162.07616	5.2
168.05132	9.8
179.64958	0.4
184.45410	0.4
187.15416	0.4
193.03203	12.6
194.06810	0.5
196.11411	0.4
207.06200	0.5
213.12370	0.5
264.12219	2.6
282.13354	61.9
283.07822	0.8
298.74841	0.4
300.10886	0.9
300.14346	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	300.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72650	0.3
65.70444	0.3
67.09867	0.3
69.03420	0.4
70.06593	0.4
72.57848	0.4
73.65105	0.3
85.02927	0.3
85.58594	0.3
90.73473	0.3
91.05473	1.6
93.06555	0.3
93.07037	2.9
96.04479	0.7
97.02875	1.7
103.05471	0.8
115.03879	0.3
121.06499	100.0
127.03927	0.7
138.09154	0.5
144.06555	4.6
150.09145	5.9
162.07599	5.8
178.30965	0.3
244.20088	0.4
264.12317	4.2
282.13348	55.1
300.14398	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	300.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	2.8
57.03448	0.8
67.05502	9.9
69.07059	5.2
70.02952	1.0
71.04986	1.0
78.08810	0.7
78.24095	0.6
79.05495	4.4
81.03417	0.8
81.07058	29.1
83.04984	1.4
83.08621	4.3
85.06528	3.3
87.04469	0.7
90.05554	90.3
91.05474	9.6
93.07043	3.8
95.04973	0.8
95.08615	6.6
95.09120	0.6
97.06522	4.2
99.08092	0.9
101.06036	0.6
101.45100	0.8
105.07035	14.5
107.08607	8.4
109.06517	3.1
109.10149	1.4
110.06062	0.8
113.06004	1.1
119.08570	13.2
121.10134	12.4
123.08066	3.8
123.11697	20.3
127.07533	1.4
129.07001	0.8
131.08542	1.1
133.10123	3.4
135.08136	1.1
145.10138	0.9
147.11681	46.6
149.09647	0.9
149.13226	0.9
155.60434	0.8
157.10132	6.3
164.14343	3.2
165.12741	13.3
173.13239	1.5
175.11165	8.3
178.44240	0.7
183.13773	0.8
191.14404	1.2
193.12248	4.3
201.12686	2.4
208.16922	5.3
210.14929	3.8
218.15289	1.6
219.13760	5.6
229.14098	0.8
236.16428	71.5
254.17482	100.0
264.15787	4.8
282.16986	81.4
288.64398	0.8
300.06000	2.3
300.18222	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	300.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	2.8
57.03448	0.8
67.05502	9.9
69.07059	5.2
70.02952	1.0
71.04986	1.0
78.08810	0.7
78.24095	0.6
79.05495	4.4
81.03417	0.8
81.07058	29.1
83.04984	1.4
83.08621	4.3
85.06528	3.3
87.04469	0.7
90.05554	90.3
91.05474	9.6
93.07043	3.8
95.04973	0.8
95.08615	6.6
95.09120	0.6
97.06522	4.2
99.08092	0.9
101.06036	0.6
101.45100	0.8
105.07035	14.5
107.08607	8.4
109.06517	3.1
109.10149	1.4
110.06062	0.8
113.06004	1.1
119.08570	13.2
121.10134	12.4
123.08066	3.8
123.11697	20.3
127.07533	1.4
129.07001	0.8
131.08542	1.1
133.10123	3.4
135.08136	1.1
145.10138	0.9
147.11681	46.6
149.09647	0.9
149.13226	0.9
155.60434	0.8
157.10132	6.3
164.14343	3.2
165.12741	13.3
173.13239	1.5
175.11165	8.3
178.44240	0.7
183.13773	0.8
191.14404	1.2
193.12248	4.3
201.12686	2.4
208.16922	5.3
210.14929	3.8
218.15289	1.6
219.13760	5.6
229.14098	0.8
236.16428	71.5
254.17482	100.0
264.15787	4.8
282.16986	81.4
288.64398	0.8
300.06000	2.3
300.18222	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	300.192
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	5.8
58.06611	87.4
62.61554	1.2
67.05522	2.6
70.02952	7.3
70.06594	8.4
72.08159	2.8
76.05083	1.4
81.07062	3.2
84.04491	1.6
84.08150	3.2
86.09708	7.4
87.05594	9.2
91.05492	1.5
92.38322	1.4
93.06998	1.6
95.08622	2.5
96.04501	3.2
98.06055	2.2
107.04967	24.5
108.04494	6.5
109.10165	1.7
110.06010	1.8
110.07182	6.9
110.74083	1.3
116.07053	1.7
121.06499	2.9
123.11727	2.8
133.06075	12.1
133.10179	1.3
134.66988	1.4
137.05945	1.5
143.05006	1.5
145.06480	2.9
145.96341	1.2
147.09016	1.4
149.09641	1.9
150.12825	2.2
151.11275	4.8
152.14311	1.9
161.05980	7.6
163.07608	2.3
168.13835	63.5
178.12260	5.4
180.13829	3.0
185.16508	13.0
186.14883	8.5
187.13242	2.0
192.13872	12.7
194.15424	15.0
196.13365	2.6
197.16481	5.8
201.23734	1.2
202.12238	1.9
211.18069	13.3
219.15016	2.2
220.13333	80.9
222.14816	1.8
224.12656	1.9
237.16026	15.5
238.14420	14.6
241.15659	1.9
242.80904	1.6
254.18701	1.4
255.10143	8.7
255.16978	1.8
256.20120	5.8
257.11792	3.1
300.15903	100.0
300.19202	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	300.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50915	1.0
70.06590	17.3
70.33126	1.1
72.08158	1.2
77.05928	1.0
79.38033	0.9
86.09711	9.4
87.04459	1.3
89.06034	100.0
101.61845	0.9
107.07069	1.7
116.07109	12.6
121.58421	1.1
130.08656	6.4
133.08607	34.9
141.10211	1.5
157.13342	2.2
177.11238	11.5
185.12891	1.3
191.55054	1.2
195.12273	4.2
229.15451	4.7
283.17517	73.5
300.19397	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	301.0705
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
57.02449	0.2
58.33131	0.2
60.03181	0.2
62.98323	0.2
65.82485	0.2
86.59169	0.2
107.04955	0.3
121.02876	1.8
122.11792	0.3
141.01074	0.2
150.52620	0.2
151.03967	0.3
154.67339	0.2
167.03419	1.8
179.03383	0.9
197.04480	0.5
227.07011	1.0
245.08040	0.4
255.06441	0.3
258.05203	2.1
272.06680	0.5
283.06116	0.2
286.04709	3.4
301.07065	100.0
323.08008	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	301.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18960	0.2
66.45702	0.2
69.39518	0.2
70.04779	0.2
75.95856	0.2
86.99869	0.2
99.30044	0.2
100.17205	0.2
107.04919	0.4
111.82111	0.2
121.02899	2.0
125.02404	0.3
151.03891	0.4
160.14339	0.2
167.03375	1.8
171.73471	0.2
179.03352	1.0
197.04384	0.3
199.07677	0.4
227.07097	1.0
227.12706	0.3
245.07982	0.3
258.05115	2.1
272.06766	1.0
273.07593	0.3
286.04663	3.9
301.07056	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0702
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
51.91056	0.2
71.64002	0.2
72.02242	0.2
75.05742	0.2
92.20985	0.2
107.04957	0.3
121.02863	2.1
147.04361	0.3
151.03864	0.3
167.03389	1.6
179.03369	1.1
197.04434	0.5
227.07051	1.0
245.08064	0.5
255.06363	0.4
258.05154	2.2
272.06720	0.8
286.04684	4.7
301.07047	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0703
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
53.25303	0.1
63.92314	0.1
64.35181	0.1
68.14383	0.1
80.53823	0.2
89.02153	0.2
96.04546	0.1
107.04928	0.4
121.02883	1.4
125.02349	0.2
147.04456	0.2
151.03905	0.3
167.03362	1.7
179.03413	0.6
197.04460	0.7
227.07104	0.9
245.08131	0.7
255.06488	0.3
258.05203	2.3
272.06769	1.0
273.07602	0.2
286.04660	3.9
301.07047	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0704
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
70.25557	0.3
74.35796	0.3
79.86945	0.3
83.89785	0.3
105.46439	0.3
105.78275	0.3
121.02878	1.5
167.03415	1.3
179.03406	1.3
184.03482	0.5
197.04436	0.4
258.05188	1.8
272.06854	1.2
273.07397	0.5
286.04715	4.8
301.07053	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0705
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
51.42803	0.1
53.15745	0.1
63.64263	0.1
75.37723	0.1
78.11894	0.1
87.32899	0.1
100.80652	0.1
107.04934	0.2
109.87521	0.1
121.02885	1.6
125.02410	0.1
130.80452	0.1
151.03879	0.2
167.03392	1.5
179.03308	0.9
197.04471	0.3
199.07503	0.2
227.07062	0.6
245.08348	0.4
255.06433	0.6
258.05185	2.1
272.06741	0.7
286.04684	4.0
301.07050	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0704
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
55.44382	0.2
88.04126	0.2
93.38201	0.3
107.04925	0.4
121.02870	1.3
125.14711	0.2
151.03925	0.3
167.03371	1.3
167.07057	0.9
179.03384	0.9
179.57860	0.2
209.74989	0.3
255.06445	0.4
258.05246	1.6
272.06805	0.5
273.07516	0.3
286.04666	4.7
301.07062	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0705
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
57.42994	0.2
62.78079	0.2
66.10537	0.2
89.43779	0.3
101.15965	0.3
107.01929	0.2
107.04958	0.3
121.02880	1.6
130.06535	0.4
133.02859	0.4
140.36958	0.3
151.03934	0.5
167.03415	1.8
179.03445	1.0
191.34058	0.3
197.04471	0.4
255.06622	0.5
258.05130	2.0
272.06851	0.5
273.07333	0.3
286.04675	3.5
301.07062	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0704
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
63.23444	0.2
65.60747	0.1
75.04451	0.1
84.79192	0.1
91.16313	0.1
94.59792	0.1
107.04964	0.6
121.02831	1.6
123.00735	0.1
124.01614	0.1
125.02395	0.1
147.61287	0.1
151.03932	0.3
167.03380	1.7
179.03320	1.1
197.04407	0.7
208.14069	0.1
227.07069	0.6
234.06990	0.1
245.08064	0.6
255.06419	0.6
255.11110	0.1
258.05295	2.1
272.06793	0.9
286.04684	4.8
301.07053	100.0
321.47104	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	301.0703
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
54.97041	0.2
60.88631	0.2
93.56964	0.2
97.94599	0.2
103.52770	0.2
107.04977	0.2
110.27913	0.2
121.02860	1.6
124.01563	0.3
133.02876	0.2
140.94566	0.2
147.04433	0.2
151.03915	0.3
155.37224	0.2
167.03371	1.7
179.03339	1.2
211.68564	0.2
227.06993	0.8
245.08002	0.4
255.06636	0.4
258.05225	2.3
272.06860	1.0
286.04703	4.0
301.07062	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.0
60.16700	0.3
66.82748	0.4
68.99831	0.3
75.19762	0.4
81.85336	0.4
82.06921	0.4
86.09718	0.6
91.48608	0.4
132.36143	0.4
137.02338	12.1
139.03824	0.4
149.02335	0.7
150.03104	0.6
157.06508	0.4
162.14526	0.4
169.06456	0.8
175.03880	0.6
185.05893	0.7
185.10680	0.4
189.05478	0.6
191.03387	0.6
192.04193	0.5
197.06003	5.6
199.03821	0.6
211.07600	0.7
213.05464	14.9
219.01537	0.4
225.05464	2.1
227.07108	1.8
231.06512	0.7
241.02458	0.8
241.04936	23.6
245.08044	2.3
255.06595	4.9
268.03726	2.2
269.01526	0.8
269.04437	24.4
283.05957	3.7
286.04654	8.0
301.07068	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50507	0.5
55.05517	1.1
55.54893	0.5
56.05049	0.6
57.07086	1.2
67.05501	1.4
69.03401	0.7
69.07063	2.6
79.05501	1.2
81.07056	1.6
83.08628	0.8
85.58183	0.6
91.05482	0.7
93.07053	1.1
95.04958	1.0
95.08614	1.4
106.04174	1.1
107.04926	1.4
107.08633	2.4
109.10158	1.4
112.05089	3.5
114.10390	0.6
116.08233	1.1
119.08600	1.1
121.10184	0.9
123.04421	5.6
123.11658	0.7
124.05180	1.4
130.06508	3.2
133.10092	2.7
134.03619	5.1
135.04411	1.4
135.11699	0.6
139.07497	0.8
145.10133	1.4
147.04404	8.7
152.04666	8.6
159.11667	1.5
161.90819	0.6
163.03888	4.1
163.11166	0.9
167.07027	100.0
179.07051	1.2
191.07027	7.5
207.06531	1.5
211.00343	0.6
226.06235	1.2
241.08542	3.9
269.08072	5.8
270.08817	0.9
273.11279	0.9
280.69641	1.6
286.04852	1.1
286.08319	1.2
301.07062	33.5
301.10666	27.1
301.21640	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	301.1069
Annotation	(-)-Sparticarpin
Peak:m/z	Relative Intensity
57.01960	0.3
63.10189	0.3
63.82455	0.3
69.59131	0.3
77.84624	0.3
78.04701	0.7
79.05490	0.5
82.95982	0.3
95.05003	0.4
105.03383	0.7
106.04156	0.8
107.04967	2.1
119.04937	1.8
123.04412	6.7
124.05190	0.5
134.03613	3.9
135.04431	1.8
147.04408	11.8
148.05156	0.4
149.06059	0.3
152.04677	9.4
163.03902	5.7
163.07472	0.4
167.07036	100.0
176.04669	0.6
179.07016	2.9
191.07028	6.2
192.53911	0.4
207.06490	3.1
209.05959	0.6
213.09103	0.6
226.06264	0.6
227.07036	0.7
241.08604	6.1
243.06448	0.5
269.08063	7.0
270.08929	3.0
271.06006	0.8
273.11258	2.4
286.08380	1.8
296.31039	0.4
301.07071	9.7
301.10712	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	301.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30600	0.3
55.05487	0.2
57.00394	0.2
57.08580	0.2
62.54417	0.2
67.05460	0.3
78.04685	0.5
79.05477	0.5
81.03381	0.3
81.07028	0.4
86.89314	0.3
89.61868	0.3
91.66721	0.2
93.07020	0.5
95.04975	0.4
95.08568	1.0
101.40132	0.3
105.03362	0.5
106.04177	1.0
107.04942	1.7
119.04929	0.5
121.02837	0.4
121.10079	0.4
123.04424	3.3
124.05206	0.5
134.03627	4.0
135.04408	1.1
135.11682	0.4
137.02336	0.4
139.07536	1.3
145.10095	0.3
147.04385	5.4
151.03912	0.3
151.07635	0.3
152.04683	7.6
157.12326	0.3
163.03874	3.0
163.11172	0.4
164.04723	0.4
164.49455	0.2
165.05460	0.3
166.29597	0.3
167.07022	100.0
176.04675	0.3
178.46677	0.3
179.03426	0.3
179.07030	1.0
181.06490	1.1
191.06976	2.7
197.06003	0.6
207.06572	0.6
209.05940	0.5
210.06720	0.3
213.05522	0.6
214.08626	0.4
226.06279	1.1
227.06981	0.6
241.04909	1.9
241.08830	1.8
245.08154	0.3
255.06583	0.9
255.11412	2.5
258.05319	1.6
259.10718	2.6
269.04501	2.9
269.08017	2.7
270.08914	0.9
271.06009	0.6
283.10776	0.4
286.04773	5.0
286.08347	0.9
290.87857	0.3
301.07132	70.4
301.10846	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	301.1069
Annotation	(-)-Sparticarpin
Peak:m/z	Relative Intensity
53.64963	0.3
55.88921	0.3
56.38783	0.3
56.39107	0.3
58.46457	0.3
62.99945	0.3
78.04702	0.4
90.56509	0.3
95.25416	0.3
105.03337	0.3
106.04164	0.7
107.04957	2.2
110.26407	0.3
121.02882	1.6
123.04463	2.8
131.64453	0.3
134.03622	2.2
147.04445	2.8
151.03914	0.5
152.04694	6.0
154.99989	0.3
163.03935	1.6
167.03357	1.6
167.07034	70.3
179.03345	0.8
179.07010	0.6
188.84865	0.4
191.07045	1.8
207.06592	0.7
227.06981	0.5
241.08644	0.7
241.13354	0.3
255.06538	0.7
255.11375	0.4
258.05246	2.1
269.08136	1.4
269.12997	0.4
273.11066	0.5
286.04733	3.3
286.08002	0.6
301.07098	100.0
301.10550	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	301.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.4
55.82652	0.3
56.05043	0.3
57.03440	0.3
60.05648	1.2
67.05492	0.4
69.03414	0.3
69.07068	0.4
78.04702	0.6
79.05490	1.5
81.07063	1.5
91.05470	0.4
93.07046	0.5
95.05008	0.5
95.08609	0.7
96.41993	0.3
105.03405	0.7
106.04158	1.2
107.04942	1.7
107.08595	0.7
109.10151	1.2
119.04957	0.6
119.08553	0.4
121.10159	1.2
123.04439	3.0
124.05192	1.2
125.05980	0.4
132.37910	0.3
134.03641	4.8
135.04422	0.4
135.11703	2.3
139.07567	1.3
145.10159	1.3
147.04408	5.8
151.03908	0.4
152.04695	8.8
163.03891	2.6
163.11183	2.7
167.07036	100.0
179.07014	1.7
181.12280	0.6
191.07005	4.3
207.06564	1.2
213.09171	0.4
226.06273	0.5
227.12735	3.0
241.08572	2.8
243.06418	0.4
254.05850	0.5
258.05188	0.6
269.08072	3.2
270.08881	1.4
271.06076	1.3
273.11261	1.5
283.15369	2.5
286.04721	5.5
286.08334	2.1
301.07068	26.2
301.10715	17.1
301.19205	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	301.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98215	0.4
55.01876	1.1
55.05503	0.9
57.03426	0.4
62.58212	0.5
67.05502	0.9
79.05492	1.1
81.07064	1.0
85.62011	0.5
86.09678	0.7
91.05452	0.8
92.20972	0.6
93.07050	0.9
95.08611	0.7
97.06532	2.0
107.04942	2.8
107.08583	1.1
108.04485	0.7
110.06033	0.5
121.10141	2.3
122.06001	3.6
131.08554	1.8
135.11719	0.9
145.10121	2.5
146.43398	0.5
147.07996	0.5
149.09612	0.6
150.05461	1.1
152.07047	2.2
155.08546	0.8
158.09598	1.0
160.07513	1.1
163.11156	3.3
164.87943	0.5
167.07082	0.6
172.07576	0.5
173.09610	0.8
175.12296	0.5
186.09206	5.2
187.08507	0.9
188.09470	0.7
188.46967	0.5
191.10648	4.7
196.07616	0.7
198.09200	1.1
200.07072	0.6
200.10712	2.0
201.10095	0.8
202.08611	0.7
202.10963	2.2
203.11800	6.9
210.09216	0.9
213.10243	2.6
214.08614	13.4
215.08199	5.4
217.09761	1.1
227.11845	2.6
228.10228	4.5
229.09740	2.5
231.11328	7.3
240.08879	0.6
241.09697	4.2
242.08052	2.8
245.12910	0.8
246.09991	1.0
247.10805	2.2
255.11244	14.1
255.13788	0.7
256.09619	3.3
257.12790	0.8
259.10767	100.0
273.12363	5.2
283.10690	4.6
283.15369	2.8
301.07327	6.3
301.11819	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	301.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66072	0.5
55.01868	1.2
55.05507	1.5
57.03444	5.8
57.07061	0.5
61.23925	0.6
62.61857	0.7
67.05508	10.0
67.85544	0.5
69.07059	2.6
70.54251	0.5
79.05496	9.4
80.29202	0.6
81.03415	1.1
81.07072	8.5
83.04987	5.9
83.08585	1.3
85.02896	1.5
85.06531	0.7
91.05476	4.7
93.07047	11.3
95.04959	4.2
95.08628	4.5
97.06523	3.9
97.30654	0.6
105.07030	2.9
107.04965	10.1
107.08604	4.6
109.06544	1.1
109.10141	1.1
111.04444	12.7
111.08064	2.6
112.04670	0.7
117.07002	1.6
119.08545	3.4
121.02901	0.9
121.06463	1.0
121.10154	12.2
123.04393	1.2
123.08073	1.1
131.08586	2.7
133.10100	0.6
135.08064	0.7
135.11668	10.6
140.37459	0.6
141.07098	0.6
145.06499	0.8
145.10110	10.0
149.09589	1.2
153.12729	2.9
155.08537	3.1
158.47646	0.6
163.11163	12.1
167.03337	0.8
167.07063	0.8
173.09677	5.3
181.12215	6.7
191.10681	7.0
209.11737	3.4
227.12756	3.7
258.05075	0.7
259.10712	7.1
265.14267	0.8
269.04373	0.9
283.15399	6.9
286.04739	8.7
287.07416	5.3
301.07034	100.0
301.11298	3.2
301.16449	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	301.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.9
55.05517	3.7
57.03444	3.5
67.05516	12.4
69.07069	5.6
70.72495	1.3
71.04993	2.0
73.02936	1.8
76.05161	1.8
79.05489	12.9
81.03416	6.4
81.07067	13.8
83.04973	2.1
83.08614	10.5
91.05485	3.3
93.07049	27.2
95.04979	6.7
95.08611	28.7
97.02893	2.8
99.04470	2.2
105.07064	2.2
107.04967	7.9
107.08595	24.0
109.10196	6.0
111.04445	1.7
117.07040	2.2
119.08605	10.6
121.06579	2.0
121.10104	13.6
125.06007	6.2
133.10117	2.6
135.11699	61.2
145.10130	32.9
160.99420	1.7
163.11169	87.3
166.96568	1.7
167.07033	10.4
173.09691	2.2
175.43764	1.9
181.12265	11.0
191.10690	2.7
207.40607	1.9
209.11722	2.5
227.12776	100.0
283.15387	72.1
301.07037	39.6
301.19464	2.4
304.88232	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	301.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01184	1.0
55.01873	10.1
55.05511	6.3
56.05033	1.5
57.03444	21.2
57.07066	1.3
59.64034	0.9
65.14039	0.9
67.05510	36.7
69.07050	6.7
71.04972	2.6
72.04515	1.4
79.05088	1.6
79.05501	35.7
81.03413	5.6
81.07062	25.6
83.04610	1.0
83.04990	15.7
83.08623	4.5
85.02891	1.2
85.06522	6.8
86.09675	1.2
91.05489	15.7
93.07041	31.1
95.04958	9.9
95.08601	12.0
97.02824	1.8
97.06543	13.2
99.04469	4.1
105.07032	6.9
107.04961	27.4
107.08588	18.8
109.06517	1.9
109.10161	4.8
111.04443	33.3
111.08077	6.1
117.07027	9.1
119.08564	15.6
121.06506	5.5
121.10141	40.9
123.08005	2.3
125.05996	2.5
129.05397	1.4
129.07007	3.9
131.04886	1.3
131.08553	13.5
135.08028	1.8
135.11696	36.1
144.08054	1.9
145.06471	7.3
145.10112	35.5
145.11220	1.9
147.08005	2.2
147.11696	1.6
149.09584	5.6
153.12755	12.8
155.08559	6.4
163.11180	36.2
167.07051	8.1
173.08212	2.0
173.09602	23.4
181.10785	1.4
181.12256	17.0
191.10674	17.7
207.60371	1.0
209.11713	13.5
227.12776	15.7
265.14304	1.4
283.15381	9.0
286.04553	2.2
301.07077	35.2
301.10782	2.6
301.16409	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.4
55.05513	2.7
57.03455	11.2
57.41677	1.0
67.05513	16.9
69.03426	1.6
69.07077	10.2
71.04991	2.8
77.51889	1.2
78.10533	1.1
79.05502	15.7
81.07053	10.6
83.04993	6.8
83.08606	2.6
85.02940	1.4
85.06512	1.9
91.05469	2.6
93.07049	19.7
95.04982	1.6
95.08604	6.3
97.06527	8.7
99.04446	2.0
99.08101	1.2
105.07052	1.3
105.58245	1.3
107.04931	2.5
107.08595	12.3
109.10159	9.1
111.04434	16.2
111.08082	5.6
111.11716	2.4
119.08603	9.8
121.06496	1.7
121.10141	26.5
131.08545	2.4
135.11697	36.8
139.11195	7.0
145.10135	17.8
149.09550	1.4
153.12767	9.2
155.08479	1.2
157.12631	1.5
163.11160	21.5
167.07048	11.7
173.09613	2.6
181.12225	22.9
191.10652	10.3
199.13287	8.5
209.11707	7.2
226.14436	1.7
227.12805	15.2
241.05072	1.5
245.04738	2.0
245.13817	24.1
283.15512	6.2
286.04764	7.1
301.07095	100.0
301.10516	3.3
301.16394	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	301.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34235	0.7
56.05030	1.9
57.28800	0.8
57.63627	0.8
58.06580	1.0
60.04475	0.9
60.05635	6.1
67.05502	6.9
70.02972	9.6
70.06563	1.5
80.05032	1.1
81.07047	3.5
84.04528	1.8
84.08120	2.2
87.05586	9.7
88.03957	1.3
89.40517	0.8
91.05465	1.0
93.07024	3.5
95.08593	4.0
96.04479	3.8
99.00818	1.1
104.28681	0.9
108.04500	8.4
109.10148	13.1
110.06019	1.4
119.08569	4.7
122.06039	0.9
135.08032	4.2
135.11635	1.0
136.07608	1.5
136.11197	5.3
137.09642	17.4
152.14304	1.1
154.04988	2.0
154.12286	10.0
155.10741	1.2
164.10712	6.1
166.12270	6.1
172.13287	6.6
173.11732	1.4
178.12273	14.2
180.13812	17.2
182.11679	2.0
186.14897	12.4
188.10760	8.3
196.13318	7.9
196.96376	1.0
198.14905	10.7
204.52304	1.0
206.11765	75.5
208.13129	1.2
209.17638	1.0
210.11270	5.5
212.16473	17.2
223.14470	1.0
224.12779	11.3
238.14340	19.9
241.15439	5.3
242.13820	5.3
255.17116	2.1
255.97133	1.0
256.15533	6.3
269.15039	1.3
284.14908	1.4
292.93292	0.9
301.07040	4.3
301.17569	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22895	0.5
53.03973	0.6
53.87081	0.5
57.03461	1.9
61.02924	1.2
63.72363	0.6
67.05508	10.5
69.03434	11.1
69.07066	5.1
71.04979	0.6
72.08153	2.2
73.02913	0.8
77.45483	0.7
81.03411	4.4
84.08139	2.7
85.02910	34.3
86.09699	5.7
91.04002	0.7
92.90125	0.7
95.04971	46.6
97.02892	31.3
99.04470	2.3
103.03930	4.2
109.02885	8.8
110.88474	0.5
111.20346	0.6
112.07606	35.4
113.06005	1.3
114.26910	0.6
115.03941	0.7
116.50480	0.5
122.06028	0.9
123.04449	1.0
124.07596	2.7
127.03934	8.0
128.77281	0.6
136.07587	2.7
140.07069	100.0
145.04970	2.7
147.11279	0.7
152.07007	0.9
154.08644	10.3
170.08157	0.7
174.60249	0.6
178.08650	4.4
182.08122	63.5
206.08138	12.0
213.16026	0.7
218.08147	1.2
225.61722	0.8
236.09138	1.2
248.09175	7.9
261.39694	0.7
284.11325	2.4
302.12390	6.6
302.20880	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	302.1497
Annotation	Febrifugine
Peak:m/z	Relative Intensity
50.22091	0.4
54.56467	0.5
70.06236	0.8
70.06595	22.4
72.08134	2.1
84.08150	1.1
86.09708	2.9
91.50246	0.5
114.05524	19.6
115.05410	0.7
116.07096	17.9
125.07147	4.5
130.06519	9.9
132.08089	23.0
141.33644	0.5
142.06514	0.9
143.11766	0.6
144.08089	13.5
159.09171	100.0
160.07547	2.0
170.05995	21.5
171.07642	4.6
172.07556	4.3
183.07964	0.9
188.07124	1.0
239.06966	3.1
239.11790	0.9
257.12808	2.6
285.12308	45.4
292.04120	0.5
302.07465	4.6
302.14893	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	302.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05041	0.4
60.04528	2.7
64.38956	0.5
67.05508	0.6
69.07066	2.3
70.06590	1.9
72.08160	1.1
84.04510	36.7
84.08125	0.8
84.29507	0.4
85.02908	2.3
86.09712	37.6
95.04960	0.8
95.45880	0.5
97.02881	1.1
101.07154	10.3
102.05531	1.0
112.07615	1.8
127.03980	0.5
128.10719	34.8
130.05006	100.0
136.41745	0.5
137.06013	0.6
140.07111	4.9
147.07651	85.2
156.10204	3.1
175.11890	0.5
182.08139	2.5
206.07965	0.5
210.08742	0.6
212.19983	0.5
216.64838	0.5
233.73489	0.5
302.07367	0.7
302.13428	0.8
302.17282	1.9
302.21854	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61541	1.9
55.05502	1.7
56.05037	4.7
57.03407	2.3
58.34436	1.8
59.81625	1.8
60.05660	40.6
60.27510	1.8
67.05514	2.3
70.02956	4.3
70.06598	4.1
72.08158	22.3
76.17459	2.0
79.05515	2.8
84.04536	2.4
86.06077	12.3
86.07166	2.3
86.09713	12.8
87.04467	15.0
91.05453	2.2
93.07034	4.1
95.08609	4.3
96.04508	9.8
98.06059	28.0
100.95350	2.3
103.59939	2.2
107.08582	3.0
108.04528	4.4
112.07632	15.2
116.07095	28.6
120.41035	2.1
121.10070	2.4
122.06046	2.1
125.09676	2.2
132.10214	4.2
133.10091	2.5
135.11717	3.3
137.09589	2.6
139.91183	1.9
143.11809	14.2
146.35196	2.0
150.06607	3.8
150.12776	2.2
153.12750	3.1
155.12561	3.4
159.64685	2.1
163.11127	4.9
170.11702	2.3
171.11290	4.1
173.14885	2.1
178.12308	16.8
179.10797	2.6
179.12570	5.1
180.13763	3.0
181.14134	4.9
188.10902	4.1
189.11125	2.6
196.13272	20.2
199.15230	2.8
202.13388	2.5
206.11758	29.0
207.12079	27.4
213.14154	2.3
213.16669	2.9
220.14490	10.5
224.12827	54.7
230.12930	33.1
238.15541	3.4
238.17912	3.0
239.14644	9.5
242.13733	3.4
248.13911	77.4
256.16586	2.9
266.15024	42.8
266.17630	2.9
267.13330	2.3
284.15982	58.7
284.18436	5.5
288.08701	8.2
302.07217	11.0
302.10364	3.5
302.16660	100.0
302.19897	35.6
313.66251	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	302.171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	2.4
58.82584	1.1
60.05649	14.2
67.05505	1.8
69.07083	2.4
70.06573	2.2
70.14702	1.2
76.05128	1.1
83.08624	1.9
86.07195	2.1
86.09711	47.9
86.46094	1.2
89.73157	1.1
91.05484	1.7
92.21507	2.5
94.04025	1.4
96.04507	5.1
98.09784	1.2
107.08554	1.5
111.05589	1.8
125.09628	2.0
133.10120	1.9
135.08058	1.4
138.06627	9.6
143.11838	3.0
144.37735	1.2
150.06578	11.4
150.12805	2.2
158.58308	1.4
160.08731	1.6
162.10307	2.1
171.11279	5.2
178.12248	12.4
179.10670	1.7
188.10663	4.8
196.13310	10.0
202.13376	16.0
204.14873	2.2
206.11694	14.5
206.34361	1.3
212.11824	7.3
220.14424	24.7
224.12801	37.9
230.12866	53.0
238.15454	3.0
242.13914	5.0
248.13914	100.0
266.14972	54.6
267.13367	2.2
270.14444	1.7
284.16049	52.2
302.07510	5.9
302.17114	93.8
302.20059	3.5
315.68723	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	302.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31997	0.5
67.05507	1.2
67.16260	0.7
69.07077	0.8
69.63622	0.7
70.06587	3.5
71.05025	0.8
79.05488	4.3
81.07058	4.0
83.04984	0.9
84.04506	1.5
84.67283	0.7
86.06071	27.2
87.04470	20.3
93.07053	6.0
95.08604	1.5
98.06055	84.0
104.07144	3.0
107.08636	1.3
121.10126	13.6
126.05520	16.7
128.07091	1.0
131.08540	3.8
138.12773	1.0
139.11194	5.4
140.07054	3.0
142.08646	3.9
143.05992	1.0
149.09628	19.0
154.08600	7.6
166.12260	6.2
167.10652	1.2
175.81622	1.0
184.13318	8.0
199.02046	0.7
206.15340	6.1
224.16454	8.5
234.14873	4.7
252.15930	38.4
284.18591	2.0
302.07407	1.5
302.19617	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	302.2071
Annotation	Gly Leu Leu
Peak:m/z	Relative Intensity
53.41410	0.3
54.46516	0.3
55.53331	0.3
56.16203	0.3
58.13027	0.4
66.52222	0.3
77.65054	0.3
86.09705	100.0
87.72617	0.3
104.83911	0.3
108.05247	0.3
132.10202	11.8
132.11221	0.4
143.11795	71.9
169.96593	0.4
171.11276	25.8
186.15128	0.4
200.94753	0.4
245.18568	0.8
302.07394	0.7
302.17172	0.5
302.20627	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	302.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.7
58.04086	4.3
58.06557	0.8
59.69344	0.6
67.05505	4.4
68.01186	0.7
69.04223	1.0
69.04553	11.0
69.07075	3.2
70.06594	3.1
71.04997	9.3
74.02457	7.0
76.04014	1.2
76.05114	1.3
79.05496	1.8
81.07075	9.8
82.06604	0.9
83.08650	1.0
86.03564	6.2
92.21640	0.7
93.07034	8.3
95.08608	3.5
96.05613	3.5
96.08116	1.1
97.06551	1.1
97.10194	1.6
109.10181	0.9
116.07104	4.4
120.08102	1.2
121.10130	5.1
123.11718	1.1
131.08640	0.8
135.11731	1.5
138.12772	15.6
139.11205	1.4
140.14319	3.7
153.43001	0.8
166.12277	3.7
167.07042	1.5
168.07393	1.8
184.13316	5.7
202.14326	5.8
212.68465	0.7
252.17009	12.1
270.18118	82.8
284.16138	1.0
284.19583	1.5
302.20740	100.0
310.63208	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	302.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39927	0.5
55.05512	3.0
56.05034	0.7
58.50401	0.6
59.73028	0.5
60.05679	0.6
69.07075	0.7
70.06586	3.2
71.04226	0.5
72.04524	0.7
72.08158	81.8
81.03431	0.9
84.08141	1.1
85.02916	1.1
86.09706	100.0
88.03930	0.6
95.87421	0.5
99.03809	0.6
100.07692	0.7
109.31502	0.5
110.15337	0.5
116.91085	0.6
118.08647	7.2
119.49966	0.6
129.10245	2.1
132.10182	4.7
135.11795	0.6
143.11803	34.5
145.99167	0.6
157.13356	9.6
170.06050	1.1
171.11281	18.4
173.12843	0.7
182.15407	0.8
185.12859	15.7
185.16479	19.6
189.12343	9.9
193.12196	1.3
203.13930	3.4
210.14774	4.4
213.15970	13.0
231.16968	0.8
302.07501	4.1
302.10495	0.7
302.19604	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	302.2075
Annotation	H-LEU-LEU-GLY-OH
Peak:m/z	Relative Intensity
54.10480	0.3
55.05506	0.5
56.05048	8.7
56.06526	0.4
56.16608	0.4
58.87628	0.4
61.18764	0.3
67.05509	0.7
69.07075	6.0
70.06596	0.9
72.08155	4.1
74.06084	7.6
75.05623	4.6
79.05488	0.7
81.07076	1.7
82.06581	0.8
85.71849	0.3
86.09711	100.0
92.51525	0.4
93.07057	4.4
95.08619	0.9
96.08189	1.4
102.05549	2.0
102.40395	0.4
104.10693	0.4
109.10094	0.5
120.06559	3.5
121.10093	3.0
122.39775	0.5
125.10757	0.4
132.10207	13.6
132.11118	0.7
138.12778	9.7
143.11806	28.6
149.09656	0.4
166.12308	2.0
168.13890	0.5
171.11290	14.3
171.12703	0.8
183.14825	0.5
184.13326	3.8
189.12338	7.2
201.15973	3.2
238.18021	3.6
242.05396	0.7
247.76941	0.4
256.19144	4.8
270.04761	0.8
285.18100	0.7
292.67990	0.4
302.07410	5.7
302.10431	1.3
302.20724	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	302.2072
Annotation	Gly Ile Ile
Peak:m/z	Relative Intensity
51.02120	0.3
52.84804	0.3
53.26561	0.3
54.74313	0.3
69.07075	3.9
69.68887	0.4
75.05608	23.6
81.86588	0.3
85.02911	3.3
86.09710	87.2
91.03979	0.4
97.02898	0.6
115.37624	0.4
127.03970	0.5
130.06563	0.5
132.10204	8.8
143.11803	100.0
145.05008	0.7
155.40695	0.4
171.11279	30.2
194.90190	0.3
239.17397	0.5
275.34134	0.4
302.20724	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	302.2073
Annotation	Leu Ala Val
Peak:m/z	Relative Intensity
51.55455	0.3
55.05516	0.4
58.87492	0.3
63.73142	0.3
69.07075	4.3
70.06602	4.2
72.08157	16.0
86.09708	100.0
91.86983	0.3
104.07104	0.3
118.08656	9.7
120.63367	0.3
143.11781	4.5
150.04066	0.4
157.13364	18.6
163.54662	0.3
171.14917	2.3
185.12846	30.1
185.16388	0.7
188.07101	0.5
189.12337	11.8
199.14487	1.6
203.13939	0.4
221.71587	0.3
240.92197	0.4
302.07404	1.3
302.20706	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	302.2071
Annotation	Val Ala Ile
Peak:m/z	Relative Intensity
55.05521	3.9
55.88681	0.3
56.05039	0.5
57.05824	0.4
66.31783	0.4
70.06600	1.8
72.08160	100.0
73.30575	0.4
81.03413	0.8
84.08138	0.4
86.09709	26.4
91.05496	0.6
100.07634	0.6
118.54930	0.4
124.07592	0.4
127.54829	0.4
132.10207	12.2
134.36003	0.4
137.06006	0.5
137.09651	0.5
143.11801	59.0
157.13359	7.2
171.11284	42.1
184.32823	0.5
185.12839	3.9
185.16524	0.6
193.12311	1.0
203.13945	6.4
210.14938	0.7
213.09502	3.2
213.16077	0.6
231.17099	2.1
302.07568	0.5
302.14328	0.8
302.20096	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	302.2072
Annotation	Val Leu Ala
Peak:m/z	Relative Intensity
50.55509	0.3
51.45847	0.4
55.05518	3.7
61.35960	0.4
68.92123	0.5
70.06599	1.1
72.08157	87.0
84.04501	0.9
84.08148	2.8
86.09708	100.0
112.03978	0.6
125.07127	0.6
128.10725	0.9
129.10324	0.4
130.08633	0.5
132.04483	0.8
137.05927	0.7
140.03395	0.6
146.05881	0.5
147.11339	0.5
154.06012	0.5
158.05960	0.7
160.07550	0.5
185.07097	0.9
185.16487	41.2
203.12192	0.7
203.13922	11.6
211.08701	0.8
213.15970	36.7
239.08109	0.8
285.08688	0.9
302.11331	3.4
302.20804	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	302.2074
Annotation	Gly Leu Leu
Peak:m/z	Relative Intensity
56.05042	0.3
70.06607	0.6
72.08173	0.6
75.05615	0.7
76.05108	0.5
81.07055	0.5
86.09708	100.0
98.00135	0.4
99.07582	0.4
114.06651	0.6
123.47222	0.3
129.33653	0.4
132.10205	10.4
143.11800	65.6
160.09697	0.5
171.11278	25.1
208.14482	0.7
226.15443	3.0
239.39684	0.4
245.18762	0.5
270.17862	0.4
295.45425	0.4
302.07346	3.2
302.17044	1.3
302.20618	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	302.2074
Annotation	H-LEU-LEU-GLY-OH
Peak:m/z	Relative Intensity
55.05513	3.0
56.05038	1.9
57.07082	3.9
60.04546	1.0
62.33466	0.4
63.79135	0.4
69.07078	4.0
70.06609	4.6
72.08162	59.5
72.93787	1.7
83.16254	0.4
84.04500	2.3
84.08157	5.3
85.06565	1.9
86.06068	0.5
86.09711	100.0
90.94815	6.5
102.05581	0.7
102.09199	2.3
102.94823	2.0
104.96404	0.7
108.95872	4.5
112.11305	0.4
113.96410	3.6
116.07114	7.4
120.08126	0.5
120.95871	3.0
123.07491	0.5
125.73251	0.5
128.99997	0.8
129.10237	3.9
130.08679	2.6
130.97929	1.1
131.97438	1.7
132.95880	0.7
141.06656	0.4
147.01047	5.4
147.11292	0.6
148.95326	13.0
148.98993	2.4
155.04301	0.9
159.01031	0.6
159.11255	3.6
161.02589	0.9
166.96370	9.1
166.97696	0.6
177.02028	0.5
185.14847	1.1
185.16507	30.5
187.10748	0.6
189.12320	3.6
193.01646	0.5
203.13881	3.1
205.01573	0.4
213.15985	25.7
217.01575	1.9
221.01057	3.3
235.02669	5.1
240.03261	3.9
258.04340	1.9
261.00543	4.8
261.02969	0.5
279.01587	3.1
302.07465	1.3
302.10614	3.8
302.20544	2.3
304.11578	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	302.2074
Annotation	H-LEU-LEU-GLY-OH
Peak:m/z	Relative Intensity
55.05526	0.3
56.05021	0.6
60.05654	0.3
69.07066	3.3
70.06600	4.1
72.08165	3.1
74.06062	0.4
81.03397	0.4
84.04517	0.6
84.08134	2.1
86.09712	100.0
111.05579	1.7
113.36974	0.3
116.07117	0.5
120.04415	0.3
126.09103	0.3
126.78934	0.3
129.10248	3.6
130.06548	1.7
132.04469	4.5
134.06006	0.6
137.06006	0.3
146.06017	0.7
151.06213	2.1
154.28755	0.3
162.12178	0.3
180.07930	0.4
182.15430	0.4
185.16464	0.6
187.14404	0.4
188.07103	1.2
189.12369	8.2
199.18057	16.3
210.14992	0.4
213.15971	0.3
227.17542	13.9
242.09265	0.7
257.10400	1.6
284.11612	0.6
302.07413	1.6
302.12494	12.6
302.20886	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	303.0412
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80738	0.5
61.41105	0.6
62.17530	0.4
66.33698	0.5
67.61039	0.5
70.06597	0.8
91.45103	0.5
94.19721	0.6
98.97599	4.2
116.98617	2.2
119.01956	0.9
127.82341	0.6
175.11969	0.9
177.01007	0.7
219.02043	7.2
220.02113	1.1
225.01010	1.0
226.01138	0.5
238.95558	2.8
243.01952	7.7
244.02075	2.7
256.96625	18.5
261.03049	100.0
261.97217	0.8
262.03168	36.4
274.97635	6.4
279.00763	1.0
279.98187	8.9
280.00940	2.3
284.04349	0.6
285.04825	0.8
297.99283	1.1
303.00519	1.8
303.06287	8.4
303.18036	0.8
303.21277	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	303.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42474	0.1
55.01877	0.1
56.05040	1.2
57.35516	0.1
60.05646	0.6
62.25439	0.1
66.70832	0.1
67.05515	0.2
68.99796	0.3
70.06577	0.3
71.08634	0.2
72.04505	0.7
74.06071	0.3
76.05129	1.7
79.05450	0.1
80.80701	0.2
81.03427	0.2
81.07064	0.2
83.08601	0.2
86.09705	0.8
91.05417	0.2
99.08056	0.2
102.05553	0.2
109.10166	0.2
111.00787	1.4
116.07085	1.7
118.05025	0.7
120.06577	0.2
121.02849	1.1
123.04445	0.2
127.03945	0.2
136.15912	0.1
137.02335	3.5
137.05971	0.2
144.12187	0.3
149.02359	0.6
153.01822	3.7
160.07190	0.7
161.05760	0.2
163.03902	0.8
165.01825	3.0
167.03455	0.2
177.09724	0.3
182.15422	0.6
182.94292	0.2
183.02872	1.1
184.14456	0.9
192.11168	0.2
195.02818	0.2
201.05418	1.2
202.15491	0.3
215.03346	0.2
219.03091	0.2
219.06577	1.0
228.12262	0.4
229.02820	0.3
229.04922	4.0
246.69304	0.2
247.06018	1.2
257.04431	3.7
268.16522	0.3
274.04669	0.9
285.04001	2.2
285.19180	0.8
303.04984	100.0
303.17450	5.4
303.20422	1.4
307.62650	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	303.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19055	0.2
58.85735	0.3
65.53103	0.3
66.55476	0.2
70.06591	0.3
70.69678	0.3
86.09695	0.3
111.00789	0.6
116.07057	0.5
121.02885	0.7
123.04453	0.5
132.06551	1.7
135.04446	0.5
137.02342	2.8
137.05931	0.5
149.02470	0.3
153.01840	3.4
162.05339	0.3
163.03831	1.3
165.01823	3.1
166.02715	0.4
179.43500	0.3
183.02921	1.4
200.48944	0.3
201.05536	1.3
229.04948	4.3
243.11255	0.5
247.05977	0.6
257.04407	3.8
274.04788	0.5
285.03943	1.6
285.11960	0.4
303.04996	100.0
303.14117	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	303.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
60.33861	0.1
60.37207	0.2
68.99791	0.3
70.06592	0.2
74.63487	0.2
80.26068	0.2
109.02831	0.2
111.00809	1.3
121.02853	1.1
137.02353	3.4
137.05981	0.3
149.02484	0.2
153.01834	4.1
162.05493	1.3
163.03935	0.3
165.01819	2.8
166.02628	0.2
170.12801	0.3
183.02896	1.3
195.02965	0.3
201.05429	1.1
219.02974	0.2
219.06599	0.4
229.04933	5.4
247.06009	1.3
257.04416	4.4
274.04675	1.2
275.05441	0.4
285.03946	1.9
303.04984	100.0
303.14029	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	303.05
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65626	0.1
61.95823	0.1
67.05531	0.2
68.99791	0.2
88.79987	0.2
96.24864	0.2
105.37014	0.2
105.78060	0.2
111.00803	0.9
121.02857	0.9
134.69926	0.2
137.02328	3.7
137.06000	0.7
148.90665	0.2
149.02254	0.3
153.01846	4.0
153.03017	0.4
161.05884	0.2
163.03877	0.9
165.01854	2.9
173.06001	0.2
177.05571	0.2
183.02879	0.9
195.02919	0.2
201.05525	1.4
219.06453	0.3
229.04958	4.2
243.22449	0.2
247.06062	0.9
257.04407	3.5
257.09909	0.3
274.04636	0.7
275.05307	0.2
285.03967	2.3
303.04990	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42474	0.1
55.01877	0.1
56.05040	1.2
57.35516	0.1
60.05646	0.6
62.25439	0.1
66.70832	0.1
67.05515	0.2
68.99796	0.3
70.06577	0.3
71.08634	0.2
72.04505	0.7
74.06071	0.3
76.05129	1.7
79.05450	0.1
80.80701	0.2
81.03427	0.2
81.07064	0.2
83.08601	0.2
86.09705	0.8
91.05417	0.2
99.08056	0.2
102.05553	0.2
109.10166	0.2
111.00787	1.4
116.07085	1.7
118.05025	0.7
120.06577	0.2
121.02849	1.1
123.04445	0.2
127.03945	0.2
136.15912	0.1
137.02335	3.5
137.05971	0.2
144.12187	0.3
149.02359	0.6
153.01822	3.7
160.07190	0.7
161.05760	0.2
163.03902	0.8
165.01825	3.0
167.03455	0.2
177.09724	0.3
182.15422	0.6
182.94292	0.2
183.02872	1.1
184.14456	0.9
192.11168	0.2
195.02818	0.2
201.05418	1.2
202.15491	0.3
215.03346	0.2
219.03091	0.2
219.06577	1.0
228.12262	0.4
229.02820	0.3
229.04922	4.0
246.69304	0.2
247.06018	1.2
257.04431	3.7
268.16522	0.3
274.04669	0.9
285.04001	2.2
285.19180	0.8
303.04984	100.0
303.17450	5.4
303.20422	1.4
307.62650	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	303.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37031	3.2
72.08161	4.1
84.08155	32.2
86.09740	32.9
89.28033	3.5
90.59216	5.3
92.92682	4.0
93.07161	3.9
110.07175	17.3
118.96860	4.6
129.10272	7.1
183.11281	4.8
200.13864	6.5
203.80589	5.2
303.08124	100.0
303.11252	6.9
303.16132	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	303.105
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04542	0.6
70.06602	1.4
72.08152	4.2
73.06561	1.2
77.97785	0.7
84.08141	1.5
85.02928	0.8
85.04024	1.7
86.09705	6.0
87.05607	1.6
99.08118	1.0
101.06024	1.3
105.35912	0.8
108.57512	0.7
110.07140	1.5
113.86814	0.7
116.07092	1.9
119.16942	0.8
119.51581	0.7
136.07608	1.0
137.06006	13.4
144.08168	0.7
156.11369	0.9
205.08185	1.0
285.14651	1.2
303.10568	100.0
303.14301	11.8
303.16257	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	303.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85949	2.4
67.05499	2.2
74.06049	2.3
83.08595	2.6
105.07021	3.2
123.04430	100.0
133.06477	24.4
149.05963	10.3
152.04662	3.3
161.05965	11.8
167.05612	3.2
167.07030	85.5
174.06393	2.8
193.08658	3.1
256.65692	2.8
303.07809	5.5
303.14859	2.9
303.18170	3.7
319.20709	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	303.1224
Annotation	Odoratol
Peak:m/z	Relative Intensity
67.05503	0.8
79.05473	0.5
85.73659	0.4
87.32207	0.4
95.04956	1.9
105.07034	3.0
118.04202	0.7
121.06534	0.6
123.04427	100.0
133.06496	26.0
134.03621	1.0
149.05981	5.1
152.04674	3.3
155.11336	0.5
161.05972	13.7
162.06683	0.5
167.07027	79.9
181.08640	3.7
193.08597	6.1
205.70071	0.5
220.56593	0.5
283.98242	0.5
303.12253	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	303.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48027	0.6
55.05512	0.9
55.30545	0.5
58.15789	0.7
58.56478	0.7
62.65738	0.6
67.05499	3.2
69.07071	0.6
70.06603	1.6
72.04506	1.4
75.05593	0.7
79.05527	0.9
81.07086	0.6
85.02908	3.5
86.03252	1.3
86.09711	8.4
87.10032	5.5
88.07616	2.5
91.05482	2.9
91.81190	0.7
93.07048	1.5
94.06579	2.7
95.04962	1.5
96.04478	1.0
97.06527	1.5
97.10174	2.6
99.04478	1.1
106.08681	1.6
107.08610	3.6
113.12675	0.7
116.07097	100.0
120.06580	0.7
122.06042	11.6
123.04421	1.0
124.07571	0.8
124.11219	0.9
125.09615	3.5
134.06039	0.9
134.08133	3.1
135.08054	1.1
136.07585	72.6
137.06000	10.7
138.09177	0.6
140.07091	0.7
142.12273	1.1
143.11780	4.6
144.12158	4.6
145.04967	1.4
146.06068	1.2
150.05518	0.9
153.09166	1.2
160.07547	3.1
162.05515	7.3
164.07066	66.5
166.04936	1.7
170.11778	6.2
172.11624	0.7
182.08125	25.6
183.08157	1.0
198.09195	7.2
212.10696	3.7
214.14355	1.4
215.11865	4.6
215.12737	5.8
219.58121	0.7
226.08664	4.7
230.11700	1.0
240.10255	1.4
243.11290	42.0
257.12897	6.9
258.11337	2.5
285.12329	33.8
285.18097	3.7
286.10724	2.6
286.16516	3.8
303.05057	5.1
303.13464	21.2
303.17010	0.9
303.19437	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	303.1451
Annotation	His Phe
Peak:m/z	Relative Intensity
50.57779	0.2
51.75550	0.2
52.96854	0.2
56.05044	0.4
60.98965	0.2
69.03416	0.3
70.06610	0.3
70.77176	0.2
72.08140	0.3
76.05127	0.6
81.07035	0.3
81.57097	0.2
83.06109	5.4
84.08157	0.4
86.09702	0.5
93.04527	3.4
95.06108	0.3
102.05582	0.3
110.07168	100.0
112.32545	0.2
118.05113	0.2
120.06527	0.3
120.08107	1.8
121.03904	0.3
129.10248	0.3
130.06543	0.3
138.06627	3.1
143.11893	0.3
156.07687	3.9
160.07146	0.4
162.85030	0.2
166.06073	0.4
166.58145	0.2
168.64536	0.3
177.09854	0.4
179.23454	0.2
202.11783	0.4
204.58832	0.3
212.11818	2.3
257.13953	2.4
285.13358	4.9
285.58585	0.3
291.43710	0.3
303.14404	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	303.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63293	0.6
52.87944	0.6
56.05033	4.6
58.04078	5.4
58.06593	0.7
60.05653	12.3
66.22263	0.7
71.08630	18.7
72.04519	7.1
72.08142	0.8
74.06072	4.1
76.05131	100.0
84.04497	4.6
99.08095	25.7
99.30768	0.8
102.05522	5.4
112.05078	4.0
117.06601	3.7
118.04995	4.4
120.06576	1.4
126.97824	0.7
130.05000	4.0
131.09320	0.8
135.07632	0.8
154.12314	1.3
159.08794	1.9
160.07181	8.9
177.09775	11.3
181.90097	0.8
182.11699	1.9
200.12782	6.1
222.44218	0.8
228.12294	34.8
255.14517	1.8
303.16599	78.7
305.91165	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	303.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04022	0.9
51.05568	1.0
53.26296	1.0
55.05514	1.9
56.05033	9.1
59.04999	1.9
62.86538	1.1
68.05025	1.5
69.03439	15.8
70.06588	2.5
72.04529	9.5
72.08162	15.6
74.02429	6.9
74.06078	9.5
75.05598	1.9
76.05133	15.8
79.05495	1.6
81.07072	10.0
83.06128	2.1
84.04514	2.4
84.08147	3.0
85.06529	6.7
85.96986	1.4
86.09724	15.7
87.05585	3.2
88.03995	2.2
96.05602	13.0
97.06458	2.9
98.07175	5.6
102.05527	9.5
108.05649	1.9
109.06520	13.6
110.07149	8.5
112.05083	5.4
112.07622	1.4
113.07121	1.5
114.06662	5.7
116.28304	1.3
118.05008	7.3
120.06586	5.6
120.90717	1.1
124.07841	1.3
124.08691	11.5
125.09480	3.1
126.06644	2.6
127.07548	8.0
128.08223	1.9
129.10249	6.4
133.06099	16.2
134.73724	1.4
143.11797	20.2
146.04155	1.6
147.07709	1.7
152.08179	2.1
153.08995	2.7
158.09270	1.5
160.07158	7.1
170.09218	2.9
171.11368	1.6
177.09846	9.6
184.10869	15.9
186.12410	2.7
189.27455	1.2
202.11864	28.7
217.10089	1.5
271.13989	6.4
285.15536	19.9
303.13092	3.2
303.16626	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59481	2.8
55.05526	5.3
56.05044	100.0
67.05505	5.0
72.04530	3.8
74.02444	3.6
74.06084	91.6
79.05525	11.8
83.08641	4.4
90.18714	2.9
97.10168	5.3
102.05534	24.7
107.08607	4.9
109.10177	4.2
110.27870	3.1
120.06583	29.7
124.11214	33.0
152.10638	10.6
170.11755	6.1
184.13380	5.9
254.14000	3.8
282.07394	3.4
286.16428	18.2
303.19150	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	303.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53154	1.1
55.05502	3.5
56.05042	64.5
60.04491	2.9
60.05614	1.6
66.96110	1.2
67.05492	1.9
69.07034	2.8
72.04501	6.0
73.13751	1.4
74.06084	50.3
76.05090	2.0
79.05460	6.7
81.07014	7.2
82.06567	2.9
83.04944	2.1
84.04499	16.1
85.03986	6.5
86.06031	2.7
86.09653	2.7
87.04439	2.5
88.03983	20.7
91.05455	1.8
93.02700	1.6
93.06991	3.8
95.08580	3.4
96.08134	1.6
97.02856	1.5
98.05981	6.8
99.06327	3.1
102.05478	6.1
103.06273	1.8
105.06976	1.7
107.08583	3.2
109.10086	2.4
116.07079	22.1
117.06940	1.7
119.08512	2.5
121.10089	2.2
122.24599	1.4
123.04386	2.7
124.11141	6.7
126.05444	2.2
127.05780	1.5
128.07047	2.2
130.12262	1.6
132.06516	2.0
134.08115	10.9
134.09549	2.2
135.08047	1.7
138.09071	1.9
144.06422	2.2
152.10565	3.2
167.06947	2.7
168.13832	27.5
170.11626	8.3
219.06485	1.9
231.08054	1.8
243.13396	1.8
249.09023	2.2
249.29037	1.6
253.16104	3.3
285.07297	2.1
286.16431	29.8
303.07693	9.4
303.10843	2.5
303.15604	3.5
303.18970	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	303.191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77969	1.0
55.05510	0.9
56.05040	13.4
57.03136	0.8
57.03432	1.4
57.12745	0.8
58.04093	4.9
58.06585	1.1
58.91508	1.1
60.05653	5.4
62.87761	0.9
66.78711	0.8
67.05514	2.0
70.06587	1.4
71.08636	12.2
72.04526	12.5
74.06084	2.3
76.05128	50.9
81.07067	2.2
83.08605	1.1
84.04520	1.8
86.06020	1.6
92.20929	1.3
97.02879	6.3
99.08088	12.3
102.05529	4.9
109.06511	1.0
109.10168	5.8
112.05056	1.7
118.05009	8.0
120.06641	1.5
126.12802	7.0
130.04997	4.4
144.06583	1.6
144.10220	1.9
144.13829	13.8
154.12315	1.4
160.07175	4.3
164.14418	1.3
177.08534	1.6
177.09879	6.2
182.15395	100.0
184.14459	2.1
184.17126	1.1
186.14905	1.7
198.43591	0.9
200.12848	2.4
219.06566	11.2
228.12292	16.8
285.18982	1.3
303.08768	1.6
303.16495	28.3
303.19241	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	304.1503
Annotation	Nicotianamine
Peak:m/z	Relative Intensity
56.05040	1.2
60.05648	2.4
63.34903	0.6
69.07078	1.0
70.06607	2.0
72.08150	1.1
74.02455	0.6
74.06085	11.9
75.05624	0.6
75.15433	0.5
82.20462	0.5
83.06113	0.7
83.48280	0.6
84.04510	14.8
84.08150	1.4
84.95287	0.5
85.56741	0.5
86.09712	100.0
86.24627	0.5
87.04493	0.7
87.05588	0.9
87.10049	1.0
88.04020	1.2
88.05315	0.5
93.04541	0.8
96.08097	0.8
97.04073	0.6
98.06070	0.7
101.01736	25.9
101.07146	2.4
110.07177	11.1
111.06847	1.0
111.07471	5.9
112.05100	1.0
115.17222	0.6
116.07106	4.8
120.06590	1.4
120.08131	0.6
124.05058	0.8
124.07596	11.9
126.05506	2.7
126.06589	0.7
127.72121	0.6
129.10196	0.9
134.04465	2.8
138.06642	0.7
141.10187	1.0
142.08669	2.9
143.11807	77.3
144.06570	29.2
144.07668	1.3
146.09256	0.6
156.07651	0.8
157.13364	3.3
161.09207	18.9
171.11279	25.7
172.05461	1.0
173.09172	0.8
185.12842	5.8
191.10287	1.2
200.04961	0.9
201.05350	0.7
201.12413	1.0
201.14215	2.3
202.08145	0.8
244.03851	0.9
254.11296	0.8
262.04904	9.7
264.49963	0.6
271.09976	0.7
280.63171	0.7
286.13852	2.3
286.17474	0.8
303.04001	0.6
304.05655	7.4
304.11102	1.4
304.14923	12.2
320.64685	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	304.1654
Annotation	N(6)-[(Indol-3-yl)acetyl]-L-lysine
Peak:m/z	Relative Intensity
51.74346	0.5
55.05524	9.2
62.51229	0.5
69.07074	0.7
70.09165	0.5
70.33298	0.6
72.08161	100.0
74.52294	0.6
86.09716	1.3
98.06062	1.4
98.96532	0.6
99.09210	1.0
107.37305	0.6
112.07661	1.0
116.07089	1.3
117.09014	0.6
118.06567	0.9
120.08118	0.9
123.08107	1.5
127.08705	3.5
130.06544	5.9
130.08669	2.4
132.08084	10.9
142.06575	0.8
143.11816	1.4
144.08090	14.1
146.06027	15.2
159.09180	30.4
160.07622	0.7
165.09172	1.2
166.09804	2.3
170.05998	6.6
188.07069	91.7
205.09729	44.6
213.13924	0.7
226.11839	1.8
244.12939	0.6
259.14584	0.9
264.88602	0.6
287.13876	11.0
304.05432	1.3
304.16635	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	304.1654
Annotation	N(6)-[(Indol-3-yl)acetyl]-L-lysine
Peak:m/z	Relative Intensity
51.74346	0.5
55.05524	9.2
62.51229	0.5
69.07074	0.7
70.09165	0.5
70.33298	0.6
72.08161	100.0
74.52294	0.6
86.09716	1.3
98.06062	1.4
98.96532	0.6
99.09210	1.0
107.37305	0.6
112.07661	1.0
116.07089	1.3
117.09014	0.6
118.06567	0.9
120.08118	0.9
123.08107	1.5
127.08705	3.5
130.06544	5.9
130.08669	2.4
132.08084	10.9
142.06575	0.8
143.11816	1.4
144.08090	14.1
146.06027	15.2
159.09180	30.4
160.07622	0.7
165.09172	1.2
166.09804	2.3
170.05998	6.6
188.07069	91.7
205.09729	44.6
213.13924	0.7
226.11839	1.8
244.12939	0.6
259.14584	0.9
264.88602	0.6
287.13876	11.0
304.05432	1.3
304.16635	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	304.1865
Annotation	Leu-Thr-Ala
Peak:m/z	Relative Intensity
51.35183	0.6
56.05041	7.7
58.06605	1.7
62.06091	0.6
70.06596	11.2
72.08167	7.6
74.06084	21.1
81.07069	0.6
84.04503	5.2
84.08150	1.3
85.02901	0.8
86.09708	100.0
87.05573	1.1
88.03983	3.8
97.02913	0.8
101.01744	1.2
101.07150	21.9
102.05563	4.1
104.05344	1.7
107.04954	6.5
110.07167	1.4
111.07532	1.0
112.08712	1.5
116.07069	9.0
116.07669	0.6
120.06599	0.9
120.08130	1.6
126.09093	0.9
126.12819	1.3
127.05070	6.2
127.08703	1.6
128.07065	0.9
129.10231	8.3
132.10170	6.2
142.12268	7.5
143.11804	7.4
144.06561	1.0
148.06047	1.5
157.13374	17.5
160.07167	1.2
169.13278	1.1
173.05545	1.5
173.09167	7.0
177.82553	0.8
185.12854	9.0
187.14410	60.6
191.10242	3.8
201.08722	1.1
201.12347	0.7
203.14046	1.7
212.06674	3.6
215.13914	28.6
217.13443	1.2
226.07996	0.7
244.09462	1.2
259.15466	0.9
272.08707	3.1
276.18176	1.7
279.36279	0.7
286.14355	2.2
286.17603	7.0
304.11353	5.0
304.14420	1.3
304.18442	5.1
304.22455	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	304.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96335	0.3
57.07089	2.5
60.26383	0.4
62.20802	0.3
69.11816	0.3
70.06589	3.4
77.25346	0.3
82.61406	0.3
86.09715	9.8
87.04470	2.2
88.07639	7.9
90.64146	0.3
102.09186	4.6
104.99292	0.8
160.12773	0.3
178.61728	0.4
203.14328	3.7
219.17438	100.0
242.24777	26.9
286.27408	1.8
304.25775	5.3
304.28922	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	304.2633
Annotation	Fenpropimorph
Peak:m/z	Relative Intensity
54.96335	0.3
57.07089	2.5
60.26383	0.4
62.20802	0.3
69.11816	0.3
70.06589	3.4
77.25346	0.3
82.61406	0.3
86.09715	9.8
87.04470	2.2
88.07639	7.9
90.64146	0.3
102.09186	4.6
104.99292	0.8
160.12773	0.3
178.61728	0.4
203.14328	3.7
219.17438	100.0
242.24777	26.9
286.27408	1.8
304.25775	5.3
304.28922	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	305.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03727	0.9
53.03960	10.0
55.01865	1.2
56.44613	0.9
57.03430	5.0
57.07045	1.2
60.20306	1.0
61.02938	4.4
68.99790	1.7
69.03439	48.6
71.04993	13.1
71.29732	1.1
81.03426	62.3
85.02914	47.5
87.00838	22.6
97.02895	14.4
98.97578	2.7
99.04453	27.6
105.01883	5.3
109.02890	64.5
127.03922	100.0
129.01846	1.6
145.04959	2.2
147.04425	14.7
158.05991	2.5
169.09860	1.3
173.07133	1.5
190.05055	4.3
203.56502	1.6
213.03998	2.2
231.05016	15.9
269.13016	1.6
287.10745	1.3
292.20605	1.3
305.11392	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	305.1454
Annotation	Nopaline
Peak:m/z	Relative Intensity
56.05042	16.3
56.46258	1.6
58.04069	1.6
59.05004	7.6
60.04531	2.3
60.05652	1.7
68.05014	2.9
69.03433	1.8
69.04556	1.8
69.07076	4.1
70.06581	4.0
71.12035	1.8
71.45721	1.8
72.04519	15.2
72.08166	4.7
74.02448	9.7
74.06081	12.8
76.05130	35.1
84.04513	3.9
84.05624	8.4
84.08138	4.2
86.03561	4.3
90.97954	1.7
94.06566	2.5
96.05609	41.5
96.08138	2.6
97.06530	16.0
102.05533	18.7
102.06652	4.3
108.05646	3.4
110.07137	4.2
114.05518	3.7
116.08218	9.5
118.05024	16.4
120.06573	9.1
121.13972	1.9
128.08192	32.9
129.05486	2.0
129.10124	2.1
135.07640	4.3
136.08705	4.1
140.03600	2.3
141.09993	2.1
144.06599	8.1
144.07693	2.1
154.06102	12.9
154.09776	8.2
156.07826	2.1
156.11336	2.0
158.05630	2.4
158.56879	2.0
160.07173	11.3
172.07175	58.4
172.10783	49.0
177.09840	14.0
183.31500	1.8
185.09230	4.1
186.08664	32.5
204.09819	12.4
204.13464	11.4
205.47281	1.9
229.13029	8.1
273.11917	23.4
273.15558	75.1
287.13651	35.5
305.14539	100.0
305.18173	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	305.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73937	0.2
52.01577	0.2
53.03954	0.2
57.15163	0.1
59.15560	0.2
66.76040	0.2
67.05472	0.2
74.47387	0.2
75.93118	0.2
81.07026	0.6
91.05472	0.4
93.07029	1.0
95.04999	0.3
96.08125	0.2
108.08128	0.3
122.06036	3.2
124.07588	7.7
136.07578	86.8
138.09146	0.4
140.07050	0.4
150.05470	0.4
152.07066	21.8
164.07056	100.0
166.08641	0.2
170.08107	4.2
182.08118	16.0
200.95155	0.2
287.13901	9.7
305.11508	0.3
305.14932	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	305.1819
Annotation	4'-Oxonebramine
Peak:m/z	Relative Intensity
55.10094	0.9
56.05029	5.1
57.03426	1.8
57.97495	0.9
59.05012	3.8
65.87551	1.0
69.07058	7.4
72.04504	5.3
74.02427	6.2
74.06075	7.2
76.05138	24.5
94.06550	2.3
96.05615	38.1
96.08121	6.3
97.06538	22.3
98.07187	2.0
102.05550	11.6
105.18484	1.0
105.53522	1.2
110.07178	1.6
111.07985	2.4
114.06687	1.1
116.08199	6.5
118.05001	8.3
120.06580	5.4
128.08199	19.8
129.09129	2.4
130.08672	1.3
135.07642	4.6
136.08691	6.5
137.09605	1.1
154.09766	11.3
160.07191	8.9
172.10797	63.4
177.09845	7.3
204.13432	13.7
228.13426	1.9
236.78433	1.3
255.14632	1.5
273.12512	2.1
273.15564	79.1
305.18179	100.0
312.37958	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	305.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81530	1.2
56.05040	13.0
57.03430	1.7
58.04083	1.8
58.08403	1.3
59.05000	4.0
60.04531	2.9
60.05635	1.6
69.04547	2.6
69.07053	3.0
70.06580	2.0
72.04523	9.4
74.02438	9.7
74.06081	16.5
76.05131	23.0
84.04506	2.7
84.05622	3.1
84.08146	2.5
86.03560	2.2
86.09755	1.5
95.04914	1.6
96.05614	51.7
96.08144	2.7
97.06535	18.3
102.05553	20.2
102.06629	3.2
108.05573	2.5
110.07198	5.4
112.05078	1.8
116.08203	7.5
118.05003	11.1
120.06602	3.8
128.08199	30.2
129.05481	2.5
135.07684	4.0
136.08690	9.6
138.10301	1.7
144.06561	2.8
148.00310	1.6
154.06076	3.5
154.09789	10.4
156.11302	2.2
160.07181	9.7
172.07184	26.9
172.10796	69.3
177.09846	11.3
181.56856	1.6
186.08745	19.6
204.09877	7.5
204.13345	16.6
205.11728	1.7
229.12912	10.5
248.27499	1.9
270.10837	2.0
273.11948	16.0
273.15549	83.5
287.13635	15.9
305.14499	46.0
305.18170	100.0
305.87402	1.8
319.30182	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	305.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52032	1.5
54.06951	1.2
55.05509	1.3
56.05044	16.2
58.04075	1.9
60.98066	1.3
68.05030	8.0
69.07092	2.0
70.06599	8.0
71.08643	3.3
72.04521	18.1
72.08167	3.2
74.02445	5.6
74.06094	14.2
76.05135	65.7
79.16538	1.3
81.07066	1.9
83.08616	1.5
84.04495	2.1
84.08145	14.0
86.09705	8.7
92.20904	1.8
95.83788	1.4
96.05627	1.3
98.03514	3.3
98.34606	1.3
99.08086	2.5
100.11269	6.4
102.05546	16.8
110.07162	2.5
112.05098	6.9
112.07600	2.2
114.06644	3.1
116.07188	1.4
116.08179	2.1
116.37540	1.5
118.05025	28.4
120.06589	10.7
120.08123	6.4
127.84401	1.3
128.10732	5.3
129.10229	6.8
130.08617	1.5
131.09325	1.9
135.07611	3.2
136.07599	2.9
144.10251	2.4
144.11249	3.4
154.09756	11.6
155.10582	2.9
156.11421	2.0
158.12904	6.2
159.08810	2.0
160.07149	38.3
166.12140	1.9
168.13837	24.8
172.10834	6.2
177.09831	100.0
186.12335	15.2
270.14429	3.2
273.15524	5.9
286.15323	1.5
287.17130	10.9
305.18069	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	305.2109
Annotation	16beta,17beta-Dihydroxy-16-methylestr-4-en-3-one
Peak:m/z	Relative Intensity
54.10035	1.7
55.01878	8.7
55.05520	19.9
57.03437	3.4
67.05504	22.3
69.03440	4.1
69.07075	10.4
79.05498	21.7
79.30651	2.2
81.07061	48.9
83.08636	11.8
88.24609	2.0
91.05460	15.7
93.07042	19.9
95.04963	12.2
95.08607	13.9
97.10152	17.9
105.07023	16.2
107.04967	9.5
107.08611	19.8
109.06511	9.7
109.10146	8.5
115.05408	2.7
117.07002	15.3
119.08568	40.5
121.06520	17.1
121.10141	9.7
123.08079	3.4
125.09628	13.7
128.17728	2.2
129.07002	10.5
131.08533	18.6
133.06606	2.6
133.10170	8.3
135.08052	24.0
135.11702	4.4
138.76886	2.2
143.08580	11.7
145.10146	31.2
147.08032	37.4
149.09628	11.5
157.10109	16.4
159.11707	10.8
161.09612	11.0
163.11189	4.4
171.11684	7.9
173.09393	2.2
175.11168	3.1
177.09305	2.9
185.42087	2.1
203.12790	10.3
217.15892	3.1
255.17422	9.5
273.18478	42.5
288.19757	2.3
305.21103	100.0
305.24518	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	305.2107
Annotation	16beta,17beta-Dihydroxy-16-methylestr-4-en-3-one
Peak:m/z	Relative Intensity
50.46677	2.7
53.94208	2.5
55.01889	5.7
55.05517	40.4
56.37300	2.3
57.03442	43.4
59.65236	2.8
59.85626	2.8
66.74207	3.2
67.05518	41.2
69.03422	3.0
69.07067	7.5
71.29414	2.7
72.80147	2.9
74.44862	3.2
79.05495	37.6
81.07064	58.1
83.04981	7.1
83.08614	19.6
85.06546	5.8
90.45136	3.3
91.05481	56.1
93.07034	25.6
95.08588	14.3
97.06540	3.5
97.10177	47.1
104.05634	2.9
105.03404	4.0
105.07056	31.1
107.04971	4.5
107.08621	41.6
109.06515	5.9
109.10160	18.1
110.42345	3.0
117.07030	32.1
119.08572	74.9
121.10116	4.1
125.09627	35.7
129.07011	11.7
131.08560	36.2
133.10133	13.4
135.08069	20.7
135.11665	5.4
143.08617	18.5
145.10117	39.5
147.08058	58.2
153.09114	6.9
157.10123	17.0
159.11703	14.4
161.09608	13.8
171.11664	7.3
186.21355	3.7
195.11647	3.4
196.62456	3.1
201.12775	5.3
203.12772	44.2
217.15851	20.3
239.27635	3.3
255.17424	4.0
273.18472	100.0
305.21140	76.2
305.24570	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	305.211
Annotation	7alpha-Hydroxytestosterone
Peak:m/z	Relative Intensity
51.67572	3.5
53.61457	3.5
55.05513	10.2
55.15248	3.5
57.53928	3.9
67.05509	20.9
69.07072	4.2
79.05492	30.1
81.03394	7.9
81.07067	59.5
83.04979	9.6
91.05480	25.4
93.07063	34.9
95.04948	21.8
95.08605	9.5
105.07050	20.7
106.55771	3.8
107.04959	25.1
107.08599	31.2
109.06467	8.4
109.10120	7.7
117.07007	20.2
119.08529	6.6
121.06521	8.4
121.10131	31.9
125.09597	5.9
131.08568	52.7
133.06520	31.4
133.10133	18.2
135.08020	29.8
143.08464	6.2
145.10114	9.1
149.09619	50.9
151.11232	6.3
159.07991	15.0
160.37158	4.2
161.09702	4.3
161.72478	3.7
171.11749	5.0
177.09103	40.4
179.82430	5.5
182.17625	4.9
189.12636	5.3
191.25789	4.8
243.32268	4.3
255.17377	5.6
273.18439	28.3
305.21170	100.0
306.34311	4.7
316.78210	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	305.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11692	1.1
55.01883	1.4
55.05527	9.1
56.65119	1.2
67.05499	7.5
69.03452	1.3
69.07059	2.7
77.32759	1.0
79.05510	9.4
81.07066	9.2
83.08612	5.6
91.05483	5.2
93.07030	6.8
95.08591	2.6
97.10162	6.2
105.07028	5.9
107.04943	1.5
107.08606	7.1
110.34258	1.4
112.69971	1.2
117.06973	1.8
119.08579	10.5
121.06558	2.2
121.10161	1.2
125.09661	2.1
131.08577	5.3
132.13901	1.2
133.06459	1.9
133.10144	1.8
135.08051	2.0
143.08565	1.5
145.10100	7.3
147.08049	8.7
149.09612	1.7
156.35844	1.2
157.10088	2.2
161.09598	1.9
165.33344	1.4
273.18500	9.6
305.21106	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.9
53.07653	2.6
54.11125	2.5
55.05515	14.9
57.03432	3.0
57.07087	3.0
59.69781	2.6
62.55269	2.2
67.05505	32.6
69.07078	6.6
79.05495	32.4
79.24015	2.7
81.03416	14.2
81.07061	54.9
83.04978	12.4
85.08364	2.4
91.05473	13.9
93.07043	36.3
95.04960	22.9
95.08607	18.9
105.07030	22.4
107.04942	27.3
107.08588	31.5
107.33305	3.0
109.06522	13.1
109.10162	3.9
117.07018	21.8
119.08578	14.4
121.06503	16.9
121.10124	29.8
131.08569	41.6
133.06496	33.5
133.10101	15.3
135.08044	23.4
143.08575	3.8
145.10155	12.4
147.11681	3.7
149.09607	46.8
157.10164	5.5
158.03073	2.9
159.06158	3.5
159.08067	27.4
161.09642	6.7
175.11047	3.6
177.09077	39.0
178.87312	2.9
273.18427	27.5
305.21146	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1446
Annotation	Imazamox
Peak:m/z	Relative Intensity
50.71590	0.7
56.05040	6.2
57.60433	0.6
58.06599	1.2
62.26742	0.7
70.06538	1.0
73.00023	0.7
74.06085	41.4
74.11125	0.7
84.04506	3.5
85.04029	3.2
86.09687	1.5
91.70644	0.7
98.96368	0.8
101.07098	0.8
118.06502	1.3
120.08094	1.5
129.06586	5.6
129.90433	0.8
129.98050	0.7
130.06537	7.0
132.08067	6.4
136.06180	4.8
144.08083	7.3
146.06007	18.5
159.09164	6.3
170.06026	1.6
187.19307	0.8
188.07060	100.0
199.05382	1.4
205.09726	27.3
217.09669	1.3
245.09200	4.2
260.13980	3.1
288.13315	3.3
306.14474	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	306.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05046	3.9
60.04534	5.2
68.85735	0.4
70.06607	1.6
72.08158	1.7
74.06078	2.1
74.92693	0.4
84.04498	2.8
84.08146	1.1
85.02900	0.9
86.09698	5.1
88.03963	0.5
93.14815	0.4
97.02842	0.5
98.11711	0.5
102.05553	5.7
106.02879	0.4
115.05441	0.8
117.05732	1.0
118.06560	1.0
123.59650	0.4
126.03735	0.8
129.06609	2.0
130.05035	8.8
130.06525	29.6
132.08089	30.5
132.10152	4.3
136.06155	4.6
142.06543	0.8
144.04805	4.0
144.06543	0.5
144.06801	0.5
144.08095	12.1
144.10103	0.5
147.04388	0.7
147.07652	2.6
155.11829	0.5
158.08443	0.7
159.09171	100.0
160.07474	3.3
170.05989	14.5
172.07552	0.6
173.12901	0.7
175.07162	3.8
188.07065	0.7
219.13376	1.0
261.12329	2.1
262.85724	0.5
271.10684	0.7
288.13330	0.9
289.11816	32.6
306.10623	0.9
306.14441	8.2
307.69403	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	306.1659
Annotation	6'-Oxolividamine
Peak:m/z	Relative Intensity
51.34383	1.3
60.04530	100.0
72.08166	1.9
74.06074	6.6
84.04517	20.4
84.05604	1.7
84.08146	2.4
85.02866	1.7
86.09709	86.1
87.05595	1.9
88.62563	1.5
92.21156	1.5
95.06843	1.4
96.05624	7.3
101.07130	2.5
102.05545	71.9
110.09660	1.6
129.06606	39.2
132.10196	71.4
138.06624	2.3
144.10188	1.6
147.07642	80.6
147.08832	2.9
155.11789	7.7
156.07716	3.5
157.06088	3.5
173.12857	24.4
175.05603	2.6
175.07140	82.1
183.11256	9.3
198.12329	14.9
201.12373	8.6
210.12358	2.5
219.13383	33.7
224.13936	3.5
228.13371	1.6
229.11874	2.7
240.13428	28.1
252.13446	2.5
252.85521	1.4
270.14471	78.9
288.15546	32.9
306.16592	53.4
314.02960	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	306.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43230	1.0
52.80832	1.0
55.92281	1.0
56.05031	1.2
56.87067	1.1
60.04535	59.5
68.54562	1.0
70.02931	1.1
74.06064	4.8
84.04514	14.6
84.05640	2.6
86.09710	40.8
96.05569	8.3
99.05539	1.3
101.07142	2.1
102.05553	41.3
110.07184	1.3
115.05051	1.2
126.15651	1.3
127.12395	1.4
129.06609	25.8
132.10201	38.8
138.06761	2.0
147.07652	42.9
155.06871	2.8
155.11804	4.6
155.59920	1.4
156.07684	6.7
157.06133	4.6
173.12907	9.7
175.07140	47.4
183.11337	6.7
194.12863	1.8
198.12419	15.9
201.12355	3.0
210.12405	7.6
214.51282	1.3
219.13428	19.3
224.13950	6.6
226.97363	1.3
240.11244	1.6
240.13425	42.7
252.13455	4.7
270.14474	100.0
288.15549	28.3
306.16608	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	306.206
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07067	0.4
81.07037	0.5
94.04191	0.4
95.12304	0.4
106.55875	0.4
109.10157	0.6
122.03602	1.4
131.18652	0.6
133.10126	0.5
133.87119	0.4
135.11687	1.8
137.05980	100.0
153.12680	0.6
170.15395	1.0
182.15401	2.9
264.52594	0.5
306.20633	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	306.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77835	0.3
55.05512	2.6
56.05034	3.1
57.07076	2.3
57.75050	0.4
58.06594	3.2
59.37278	0.5
60.04504	0.4
69.07078	5.1
70.06598	5.5
71.08605	0.9
72.08157	0.5
74.06080	5.5
83.08626	2.0
83.56303	0.5
86.06074	0.8
86.09682	0.7
88.07631	10.4
97.10140	2.1
102.09157	2.1
118.08633	2.7
122.08154	7.1
132.10199	5.4
141.20650	0.5
146.11775	3.8
156.17468	0.8
175.84944	0.5
182.19032	0.5
200.20088	13.3
240.23257	0.9
241.66064	0.4
244.22694	29.6
258.24261	27.1
278.08102	16.9
284.82785	0.5
288.25339	3.9
306.07602	9.9
306.26376	100.0
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
51.26530	0.5
54.12473	0.5
55.05524	7.1
56.05047	6.0
57.07083	1.0
58.06606	5.6
60.04506	0.8
65.30422	0.5
69.07072	10.1
74.06084	9.6
74.72610	0.5
81.07059	2.9
83.08634	6.0
86.06082	0.9
88.07635	9.1
93.07035	0.6
97.10155	4.9
104.07072	0.9
109.10185	1.2
111.11684	0.9
118.08659	5.5
122.08146	16.0
122.39185	0.6
188.41562	0.6
239.84225	0.6
240.23210	3.8
244.22655	0.8
258.24265	46.2
270.24530	0.9
278.08203	2.9
288.25330	3.2
306.07715	0.9
306.20621	3.2
306.26379	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	306.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07244	0.4
55.05523	8.7
56.05040	7.2
57.07066	2.2
58.06605	5.9
60.04507	0.7
67.05518	0.9
69.07072	14.4
71.08612	0.7
72.13100	0.6
73.55038	0.5
74.06085	11.3
79.05468	0.7
81.07055	0.6
83.08618	6.8
85.10160	1.0
86.06065	1.3
88.07623	6.9
91.05459	0.6
97.10167	7.2
100.48471	0.6
109.10160	0.6
111.11731	1.3
113.09664	0.6
114.78507	0.6
118.08657	3.7
122.08129	20.4
159.54544	0.5
192.78235	0.5
240.23239	0.9
258.24255	39.8
270.24158	0.6
272.80249	0.6
288.25354	2.3
289.17819	0.7
306.20645	3.3
306.26367	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	306.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37376	0.6
55.24920	0.7
55.80255	0.6
57.07077	3.9
57.38046	0.7
61.28046	0.8
70.06599	11.6
71.08617	1.5
72.08157	0.9
84.08149	1.7
85.20673	0.7
86.09709	1.0
88.07639	7.7
102.09197	4.4
119.65073	0.8
132.10207	9.8
142.81937	0.8
146.11754	11.9
155.99892	0.7
156.17522	3.3
182.19048	1.3
200.20090	27.5
244.22710	60.9
255.44969	0.8
278.08124	51.3
306.07590	31.5
306.26395	100.0
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
52.98160	0.5
57.07080	3.5
57.89950	0.6
58.06618	1.1
59.99257	0.5
69.07072	0.6
70.06291	0.6
70.06603	11.1
71.08636	2.7
72.08173	1.0
84.08139	1.4
86.09695	1.5
88.07637	10.5
89.06039	0.8
95.08611	0.7
101.13253	0.6
102.09171	3.8
104.86531	0.6
118.08553	0.7
132.10197	10.0
146.11752	10.7
156.17494	3.0
182.18970	1.2
200.18658	0.7
200.20108	29.0
244.22719	61.3
258.24268	3.6
278.08115	34.9
288.25412	1.2
306.07626	18.6
306.26404	100.0
329.38467	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	306.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	0.6
53.91774	0.5
55.05513	9.0
56.05043	7.7
57.07072	2.9
58.06609	6.8
60.04550	0.8
65.42898	0.6
67.05103	0.6
67.05497	0.9
67.55801	0.6
67.60696	0.7
69.06760	0.8
69.07080	14.4
74.06082	9.3
75.24212	0.6
76.37952	0.6
77.24990	0.7
77.91737	0.7
81.07070	1.2
83.08612	8.1
86.06051	1.2
88.07625	6.2
97.10177	9.5
105.07025	0.7
109.10161	1.1
111.11715	1.2
118.08698	5.3
122.08141	23.5
128.41756	0.7
240.23271	1.4
258.24268	40.3
271.17154	0.9
278.07999	0.8
286.24457	0.8
288.25333	1.1
289.18073	1.0
306.11542	1.1
306.20584	5.5
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
54.46033	0.4
56.05041	4.3
57.07072	3.3
58.06607	5.4
60.04527	0.7
63.85490	0.4
64.67804	0.5
65.66618	0.4
70.53505	0.4
71.08609	0.6
74.06076	4.2
74.41270	0.5
80.45886	0.4
85.10182	0.5
86.06073	7.3
88.07130	0.6
88.07634	11.5
100.07616	1.8
104.07116	5.4
118.08600	0.8
132.10194	5.2
136.39052	0.5
145.44240	0.6
162.11261	2.3
166.10783	3.8
169.07405	0.5
200.20067	0.8
214.21649	50.3
226.21724	0.7
258.24231	14.9
278.43512	0.5
288.25357	1.0
306.26376	100.0
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
54.07244	0.4
55.05523	8.7
56.05040	7.2
57.07066	2.2
58.06605	5.9
60.04507	0.7
67.05518	0.9
69.07072	14.4
71.08612	0.7
72.13100	0.6
73.55038	0.5
74.06085	11.3
79.05468	0.7
81.07055	0.6
83.08618	6.8
85.10160	1.0
86.06065	1.3
88.07623	6.9
91.05459	0.6
97.10167	7.2
100.48471	0.6
109.10160	0.6
111.11731	1.3
113.09664	0.6
114.78507	0.6
118.08657	3.7
122.08129	20.4
159.54544	0.5
192.78235	0.5
240.23239	0.9
258.24255	39.8
270.24158	0.6
272.80249	0.6
288.25354	2.3
289.17819	0.7
306.20645	3.3
306.26367	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	306.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	14.6
56.04815	1.0
56.05048	17.6
57.07077	4.7
58.06604	18.3
60.04532	1.4
67.05493	1.0
67.08992	0.8
67.47128	0.7
67.67554	0.8
68.05037	0.9
69.07070	37.5
71.08637	1.6
74.05683	1.3
74.06082	26.4
76.97842	0.8
77.91066	0.7
81.07058	1.9
83.08621	20.1
85.10184	1.5
86.06059	4.1
95.08633	1.0
95.32112	0.7
97.10168	23.8
107.08589	1.2
109.10199	1.0
111.11732	7.6
119.08625	0.9
122.08140	86.3
130.59753	0.9
136.43587	0.8
159.19267	0.9
183.17453	1.6
227.08456	0.9
258.24268	1.8
265.11322	1.8
283.12271	1.2
306.17227	1.8
306.21320	6.8
306.26407	100.0
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
52.35352	0.6
55.05519	16.8
55.63144	0.7
56.04819	0.9
56.05048	16.8
57.07077	3.9
58.06608	17.9
60.04528	1.8
67.08887	0.8
68.05029	1.3
69.06699	1.2
69.07076	31.5
71.08630	1.9
74.05685	1.3
74.06084	29.0
75.91647	0.8
80.86765	0.8
83.08626	17.9
83.22446	0.8
85.10178	1.8
85.91285	0.8
86.06078	6.5
95.08582	1.6
97.10175	19.1
101.66532	0.8
103.54739	1.0
104.07105	1.6
107.08591	1.2
111.11719	10.9
122.08143	87.0
173.58635	1.0
183.17352	1.2
223.10008	0.9
258.24298	4.4
266.10043	0.9
274.18814	1.0
301.21112	0.9
306.20660	8.3
306.26398	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	306.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	3.7
57.07079	3.4
58.06616	7.4
60.04564	0.9
66.73911	0.9
73.96320	0.6
74.06080	4.4
86.06078	6.4
88.07640	15.4
93.18134	0.6
96.24461	0.7
99.22739	0.7
100.07659	0.9
104.07102	4.8
118.08701	1.5
125.05988	1.1
126.30362	0.7
132.10222	5.0
162.11279	3.1
166.10782	3.1
214.21672	56.3
258.24283	20.2
279.19821	0.7
288.25229	3.0
306.26398	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	306.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	12.2
56.05044	10.5
57.07061	3.5
58.06611	10.4
58.17810	0.8
60.04521	1.3
62.52692	0.8
67.05505	1.6
67.53188	0.9
68.05014	1.0
69.06705	1.1
69.07075	26.1
71.08652	1.0
74.06081	21.2
74.70863	0.9
83.08624	15.8
85.10175	1.2
86.06088	4.0
88.07610	1.6
93.06990	1.1
97.10168	15.3
102.86873	0.9
108.80417	0.8
109.10165	0.9
111.11723	5.5
114.00694	1.2
118.08636	1.5
120.04317	0.8
121.10184	1.1
122.08138	46.7
143.56148	1.0
146.85533	1.0
152.05643	1.0
181.86852	0.9
183.17461	7.6
213.38686	1.0
258.24277	19.8
276.04425	1.0
306.20566	6.0
306.26379	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	306.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69683	0.6
55.05520	12.7
56.05047	9.6
57.07067	4.8
58.06610	9.7
58.86223	0.6
60.04529	0.9
67.05496	0.9
68.05001	0.8
69.06704	1.0
69.07071	26.0
70.66177	0.7
71.08645	1.0
74.06090	16.0
74.22267	0.7
75.67596	0.9
81.07049	1.1
83.08624	12.4
85.10168	1.1
86.06064	1.7
88.07645	2.6
91.05514	0.7
95.08598	1.8
97.10178	13.2
99.49497	0.8
104.07111	0.9
107.54045	0.7
107.56495	0.7
109.06512	0.9
109.10123	1.1
111.11707	5.2
118.08650	1.6
122.08143	43.1
183.17456	7.3
185.22484	0.8
204.16020	1.2
258.24298	21.3
288.25412	0.9
296.81671	0.8
306.20660	7.9
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
52.27747	0.4
55.05518	6.4
56.05049	7.3
57.07088	0.5
57.41688	0.5
58.06597	4.8
58.92976	0.5
60.04525	0.8
62.92400	0.5
67.29192	0.5
69.07070	11.4
73.03043	0.5
74.06088	10.3
75.86523	0.6
79.43412	0.5
83.08623	5.8
86.06050	1.4
87.88271	0.6
88.07641	7.6
94.96568	0.5
95.08585	1.1
97.10179	3.9
118.08659	5.3
122.08135	13.6
156.31931	0.7
174.24611	0.6
240.23178	2.7
244.22745	0.7
258.24271	46.8
278.07977	2.2
288.19727	0.7
288.25168	4.1
306.07404	0.8
306.20651	4.0
306.26373	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	11.6
55.37274	1.8
57.07072	10.6
61.66899	1.4
65.24185	1.5
67.05510	64.2
69.07068	18.4
79.05495	15.9
81.07059	94.6
83.08624	15.5
85.06532	1.7
85.10161	1.5
86.06065	2.7
91.05480	8.2
93.07045	30.5
95.08605	100.0
97.06535	4.0
97.10178	11.3
99.08118	1.7
100.07622	3.3
102.94803	1.8
105.07031	8.3
107.08578	28.3
109.10156	49.9
111.08092	3.1
114.09167	2.2
115.27001	1.9
119.08580	8.1
121.10133	37.5
123.08064	2.9
123.11699	20.4
128.10712	3.7
131.08586	13.8
133.10136	8.7
135.11670	19.2
137.09634	2.2
137.13293	8.0
140.10678	2.1
145.10110	12.9
147.11690	9.6
149.09601	2.3
149.13284	11.4
151.14793	7.8
159.11707	8.3
161.13216	3.0
163.14792	3.4
165.16374	6.6
168.13742	2.0
173.13242	7.8
175.14920	2.0
177.16354	3.5
179.17961	1.6
184.17027	2.7
187.14824	10.0
187.19583	1.7
189.16396	2.1
191.17972	2.9
201.16429	2.2
203.17926	2.2
205.15779	2.3
205.19539	4.2
219.17386	1.9
261.25714	2.3
271.24155	23.5
289.25232	48.7
300.94376	2.0
305.50330	2.1
306.20966	2.0
306.27908	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	306.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57528	0.4
51.68435	0.4
55.05519	4.9
57.07093	0.5
60.96134	0.4
63.32557	0.4
67.05517	5.5
69.07076	6.5
79.05505	0.9
81.07063	6.6
82.07395	0.5
83.08617	3.4
85.05278	0.8
93.07050	2.5
95.08608	6.1
97.10168	2.4
98.06046	9.5
104.04754	0.5
107.08603	1.0
109.06499	0.7
109.10169	1.1
112.07595	1.9
119.08611	0.9
121.10112	0.6
123.11736	0.6
126.09209	0.6
137.06010	2.5
140.10670	0.5
140.51965	0.5
182.15498	0.6
196.16925	0.7
206.15422	0.7
208.17056	1.1
219.44838	0.5
234.16158	0.6
260.44632	0.6
274.18735	1.2
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	306.9019
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05671	1.1
65.67279	0.7
66.79938	0.7
70.06589	3.4
76.73039	0.8
83.13559	0.8
94.93010	11.1
97.73634	0.9
112.89536	0.8
122.21085	0.9
170.15323	0.9
191.03757	0.8
202.89099	100.0
208.97339	5.8
216.90703	1.1
218.92300	1.9
220.91019	4.5
232.92197	1.1
238.92020	1.9
244.90137	2.0
246.88046	4.3
281.98279	1.1
306.90094	9.8
307.09918	4.1
307.16043	4.3
323.29651	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	307.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86190	1.6
55.13379	1.4
56.96576	7.5
84.08139	9.1
85.02894	2.4
85.62798	1.9
98.97585	66.8
98.98683	3.5
110.94057	1.7
110.97524	9.1
113.07825	2.1
116.98615	20.5
116.99753	2.6
128.98581	14.3
134.99629	3.0
140.98586	8.1
143.00154	15.9
144.98119	4.1
146.99635	3.1
152.98576	8.4
158.99652	11.3
161.01236	2.6
170.99626	12.8
174.03854	9.7
175.04131	8.4
177.00671	9.3
189.00705	4.4
201.00659	4.3
219.01724	35.3
237.02777	46.1
247.04929	7.9
265.05942	78.6
283.06940	21.1
307.07233	100.0
307.15067	4.3
325.08054	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	307.0925
Annotation	2-OXINDOLE-3-ACETYL-ASP
Peak:m/z	Relative Intensity
54.17847	0.7
69.03427	5.4
70.06583	4.0
72.08154	1.7
73.02907	1.3
78.22781	0.8
81.03400	2.0
84.04504	1.6
85.02905	16.3
86.09712	6.1
87.00829	1.9
87.79267	0.7
97.02879	4.9
99.04451	9.3
103.03941	18.5
109.02879	2.2
127.03907	19.4
130.06520	55.6
132.04453	14.2
132.08076	2.0
145.04926	7.4
146.06020	6.4
157.07603	100.0
158.06004	87.2
159.09158	18.2
160.07463	1.0
175.08661	45.2
175.11908	2.1
184.07570	3.7
185.07109	8.3
187.05989	0.9
197.07082	2.1
199.08707	4.0
200.07082	0.9
201.06616	7.8
201.10031	1.1
203.08144	27.3
218.93150	1.2
221.09181	1.9
225.06635	3.7
227.08138	9.5
229.05971	1.5
243.07663	9.3
245.09177	14.5
247.07036	1.9
261.08676	33.2
271.07117	11.5
272.17139	5.1
289.08182	34.8
307.09286	9.8
318.12329	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	307.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.1
55.01879	0.7
57.03441	1.9
61.02924	2.0
69.03437	21.1
71.04987	6.6
73.02928	1.5
81.03429	15.7
83.90087	0.7
85.02908	75.0
87.04462	0.9
88.07281	0.9
91.25648	0.9
97.02896	24.9
99.04462	43.9
103.03947	84.5
109.02882	20.6
110.77865	0.9
127.03914	100.0
145.04968	31.3
145.39030	0.9
145.48480	0.8
149.34734	1.0
163.06041	10.8
187.05992	6.7
205.07211	1.5
271.08063	1.8
300.36841	0.9
307.10199	1.1
308.64401	0.9
323.19360	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	307.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53268	0.6
53.03950	0.8
55.05500	1.0
57.03448	1.7
61.02932	5.5
67.05501	1.0
67.10099	0.6
69.03435	19.7
69.07079	1.1
71.04984	1.6
72.40102	0.6
73.02927	0.7
75.12016	0.6
81.03423	9.8
81.07073	1.4
83.04981	1.0
85.02907	100.0
85.06576	0.6
95.08570	1.2
95.27241	0.7
97.02894	19.9
99.04455	23.8
103.03944	70.4
107.04960	0.7
107.08663	1.1
109.02879	20.0
109.10177	1.1
121.06525	1.0
123.11725	0.9
127.03913	78.3
127.27164	0.7
129.79062	0.7
139.03926	1.1
145.04968	19.2
149.13162	0.7
161.43596	0.9
163.06030	7.8
169.04933	1.2
187.06006	3.6
198.89442	0.7
205.07071	15.2
264.07776	0.9
271.08139	1.1
289.09207	3.6
289.18097	0.8
292.07257	1.1
307.09711	4.4
307.20322	0.9
307.26450	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	307.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00330	1.3
53.24199	1.0
53.50849	1.1
54.94488	1.0
55.01877	10.9
55.05520	11.7
57.03440	2.4
57.07084	6.2
58.99581	2.2
62.99081	9.5
63.46959	1.1
67.05505	8.0
69.03428	6.0
69.07076	100.0
74.00658	6.5
76.02241	2.3
76.04013	2.0
79.05508	2.1
81.03427	2.2
81.07050	4.9
83.08634	6.8
84.04517	13.9
85.02910	15.5
86.99077	2.0
87.02704	22.8
88.02218	6.6
91.05491	2.1
91.22684	1.2
93.07066	2.6
95.08617	5.5
97.02894	7.0
97.06482	1.6
99.04449	7.8
101.04223	2.7
103.03953	16.4
105.07039	1.8
107.08594	2.9
109.06502	2.2
109.10162	6.9
110.27634	1.2
111.11725	9.2
112.03976	16.3
116.01689	34.3
118.81039	1.2
119.08591	1.7
121.06487	2.4
121.10131	2.5
127.03932	16.9
130.05000	51.2
131.04504	2.2
131.08559	1.7
135.08069	1.8
143.08916	11.7
144.01152	17.6
145.04982	4.8
145.06151	2.4
146.02667	1.5
148.30196	1.3
159.08264	6.1
161.09972	35.2
161.13359	1.4
162.02205	57.7
165.09122	1.3
169.10393	2.1
174.02162	2.0
177.03300	10.1
186.13104	2.8
187.11375	3.1
233.15221	1.6
236.08269	2.0
251.10580	2.3
264.07837	2.9
272.13116	36.9
287.05615	1.5
289.15756	7.9
290.14206	49.6
292.07294	6.6
305.42709	1.4
307.09592	19.3
307.16687	12.4
307.19849	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	307.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57684	0.5
55.05526	0.7
56.05025	0.5
56.60970	0.4
56.68736	0.4
58.06606	2.2
61.01168	0.6
61.02926	0.9
69.03436	7.8
71.04987	1.8
73.02914	0.7
75.49349	0.4
81.03418	4.4
84.04509	17.1
84.05012	0.6
84.08147	100.0
85.02908	24.9
86.06071	6.6
86.09699	4.7
88.03996	1.0
97.02874	6.7
99.04465	12.4
99.08064	3.7
100.64056	0.4
101.01786	0.7
103.03947	30.2
109.02872	4.4
117.00030	0.5
122.57737	0.5
123.45203	0.5
127.03912	32.9
127.07565	3.4
130.06541	6.4
130.08664	0.9
132.04468	2.3
132.08459	4.8
141.13850	3.6
145.04961	9.0
145.08624	0.8
146.03868	0.7
146.06085	0.6
153.14461	0.5
157.07593	14.3
158.06003	11.1
159.09215	2.8
159.52965	0.5
162.02197	1.8
163.06006	2.8
169.13344	11.9
175.08690	7.0
184.07581	0.5
185.07179	2.1
186.87079	0.6
187.06032	2.9
198.11308	2.8
199.73026	0.5
203.08124	6.1
205.07085	2.6
215.13911	43.6
225.06726	0.5
227.08194	1.8
243.07587	0.6
243.17023	37.3
245.09233	3.3
261.08777	2.8
262.11148	2.4
271.07312	2.6
289.08160	4.7
307.14426	2.1
307.16940	38.7
322.42160	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	307.19
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
51.31020	0.8
53.03961	1.1
55.01873	1.8
55.05281	0.9
55.05523	14.8
57.03440	15.9
57.07085	2.3
63.20261	1.0
63.38828	0.9
67.05231	1.0
67.05511	15.6
67.80201	0.8
69.03439	1.7
69.07075	4.7
79.05492	9.1
81.03421	1.1
81.07057	23.7
83.04982	84.3
83.08621	5.1
85.06555	1.6
91.05474	13.5
93.07045	14.0
95.04959	2.1
95.08594	11.6
97.06523	2.2
97.10165	4.4
99.04458	1.9
105.07027	9.3
107.04942	7.4
107.08614	9.7
109.06506	5.2
109.10172	5.8
111.04441	100.0
111.08092	1.2
113.57552	1.0
117.07011	6.4
119.08573	10.9
121.05392	0.8
121.06516	6.0
121.10145	7.2
122.61459	1.0
123.08077	4.7
123.11705	2.0
129.06967	1.3
131.08574	10.2
133.06503	2.3
133.10109	8.1
135.08075	4.8
135.11678	5.0
137.05981	1.8
137.09589	1.1
139.07553	1.1
141.07030	1.5
143.08559	1.8
145.06409	1.6
145.10141	6.3
147.08057	8.4
147.11699	1.7
149.09616	1.9
149.13370	1.3
151.11176	1.2
155.08551	1.4
157.10136	1.5
159.08051	8.1
159.11674	5.4
161.09653	3.3
161.13306	1.6
163.07487	1.5
163.11201	5.2
165.09048	1.0
171.11765	1.9
173.09587	1.3
173.13245	1.2
176.78142	0.9
177.12773	11.6
178.13544	1.6
183.11771	1.3
187.14848	1.1
189.12837	1.1
197.13142	1.1
199.11221	1.1
205.15811	7.3
215.14336	1.7
233.15381	9.8
243.17471	1.8
253.15779	4.3
261.18515	16.6
271.16879	8.1
275.19980	5.7
289.17972	52.4
307.19000	14.3
307.22763	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	307.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.9
55.01883	3.0
55.05512	8.5
57.03440	9.1
57.07069	2.9
61.02930	3.0
66.04250	1.7
67.05508	23.8
69.03438	25.7
69.07061	17.7
71.04994	4.5
71.08630	3.5
73.02932	2.1
73.78273	1.8
79.05491	16.4
81.03412	12.8
81.07059	44.8
83.01366	1.8
83.04991	3.0
83.08624	10.0
85.02901	70.2
91.05476	12.3
93.07047	23.7
95.04964	21.1
95.08598	31.6
97.02889	28.7
97.06533	16.8
97.10163	3.0
99.04459	40.5
99.08125	2.9
103.03941	99.3
105.07030	26.1
107.08607	17.9
109.02896	17.5
109.06517	8.3
109.10158	17.8
111.08058	2.3
117.07021	8.5
119.08582	28.6
121.06469	3.4
121.10128	11.1
121.49026	1.8
123.08072	3.2
123.11741	3.9
125.09634	2.6
127.03912	92.0
128.06174	4.0
129.07002	4.4
131.08589	16.2
133.01480	2.0
133.10130	41.1
135.08090	1.7
135.11720	7.7
142.07834	8.7
143.08551	24.4
144.09296	3.1
145.04961	38.2
145.10115	24.8
147.08076	3.6
147.11691	8.3
154.07797	2.9
155.08582	7.1
156.09366	3.4
157.10121	22.8
158.10863	4.2
159.11621	15.8
161.09616	3.7
161.13249	2.2
162.95691	1.6
163.06026	12.0
163.11166	2.2
167.08591	7.7
169.10143	19.8
170.10927	2.4
171.11687	12.1
173.13316	9.7
181.10188	2.9
182.10930	13.2
183.11739	11.8
184.12497	2.3
185.13258	3.3
187.11221	2.9
190.45551	1.8
192.09457	2.0
193.10187	9.6
194.11005	2.5
195.11722	10.9
196.12555	2.8
197.13257	13.6
198.14073	2.3
199.14787	2.3
206.10881	7.6
207.11751	9.8
208.12531	11.2
209.13295	16.4
211.14853	10.0
219.11736	2.2
219.17494	2.0
221.13214	15.6
223.14821	11.8
232.12422	2.2
233.13304	10.2
233.29419	1.9
235.14833	7.8
237.16399	8.4
239.17770	2.4
245.13297	7.1
247.14873	4.2
249.16437	7.3
250.17101	2.4
251.14302	6.3
259.14609	12.9
263.17975	12.4
265.15927	2.4
265.19473	3.0
274.17242	8.0
275.20117	8.8
279.21039	2.3
289.19449	12.0
289.25369	2.3
307.20596	100.0
307.26065	30.7
314.74005	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	307.2266
Annotation	Androst-5-ene-3beta,17beta,19-triol
Peak:m/z	Relative Intensity
55.01875	18.6
55.05519	19.7
56.99022	2.2
57.03455	2.7
67.05508	28.4
69.07063	21.8
79.05498	32.8
81.03419	5.2
81.07061	45.9
83.04972	4.3
83.08620	16.6
89.51669	2.4
91.05470	20.5
93.07038	29.8
95.04958	11.1
95.08615	28.2
97.06532	25.9
97.10178	19.1
98.00533	2.6
105.07033	28.3
107.04946	17.3
107.08598	61.9
109.06525	21.8
109.10157	14.8
114.37839	2.4
117.07030	11.1
119.08555	20.5
121.06506	16.5
121.10094	21.4
123.08078	10.3
123.11652	3.3
125.09621	24.2
131.08572	14.6
133.10123	22.2
135.08052	13.8
135.11678	12.3
137.09630	6.5
145.10091	14.1
147.11673	15.9
149.09604	17.5
149.13269	3.8
151.11235	3.6
159.08049	3.9
159.11688	17.6
161.13231	4.0
163.11177	15.9
171.11723	3.2
173.13216	9.4
183.11717	3.6
187.11186	4.2
199.15044	2.9
203.12695	4.4
212.12379	2.5
239.17932	5.4
247.20587	6.4
257.18942	16.0
271.16858	2.8
275.20016	100.0
289.17932	19.5
289.21222	9.1
307.19025	14.8
307.22659	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	307.2266
Annotation	Androst-5-ene-3beta,17beta,19-triol
Peak:m/z	Relative Intensity
55.01876	16.3
55.05516	28.1
57.03442	29.0
57.07072	13.8
67.05505	67.9
69.03420	4.8
69.07063	27.9
71.05003	4.6
79.05499	38.6
81.03429	4.6
81.07058	85.8
83.04976	14.1
83.08625	33.2
85.06548	13.5
91.05484	33.1
93.07039	58.9
95.04975	11.2
95.08607	87.2
95.99010	2.3
97.06522	21.0
97.10184	13.2
99.04439	3.2
102.04259	2.5
105.07029	33.2
106.59972	2.7
107.04939	9.6
107.08585	37.2
109.06525	11.8
109.10143	45.6
111.08089	11.2
111.75668	2.7
117.07006	13.3
119.08555	38.0
121.06484	3.8
121.10148	30.5
123.08047	12.0
123.11713	10.5
124.86803	2.5
125.09603	3.5
126.74378	2.5
129.07033	3.6
131.08582	16.5
133.10135	29.2
135.08049	10.4
135.11670	19.4
137.09608	27.4
137.13322	3.0
138.63490	2.3
139.11136	2.7
143.08507	3.3
145.10124	14.2
147.11676	13.5
148.15099	2.8
149.09587	18.3
149.13252	10.1
151.11159	5.8
156.03618	3.0
157.10106	3.9
159.11673	17.9
161.13243	3.6
161.63498	3.2
163.11201	12.8
165.12904	2.9
173.13254	5.5
175.14778	3.3
177.12764	5.6
179.62160	2.7
185.13217	6.0
201.16399	5.8
203.14320	6.2
209.15289	3.7
219.17427	100.0
229.19386	3.1
235.16913	4.4
247.20599	6.1
257.18887	5.9
275.20044	79.6
280.33917	3.2
286.65652	3.0
289.18103	3.4
289.21426	3.5
289.25192	5.5
307.22659	48.4
307.26340	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	307.2266
Annotation	Androst-5-ene-3beta,17beta,19-triol
Peak:m/z	Relative Intensity
52.45237	2.3
55.01875	3.3
55.05532	21.7
55.96584	2.6
56.84116	2.2
57.03440	11.9
57.10706	2.2
67.05511	53.1
69.03437	3.1
69.07083	26.3
71.05013	3.5
77.47835	2.9
79.05495	40.2
81.03425	6.7
81.07062	74.7
83.04980	5.2
83.08627	21.7
91.05494	33.2
92.13933	3.0
93.07051	46.2
95.04995	34.8
95.08604	50.4
97.06528	14.4
97.10172	6.9
105.07036	51.0
107.04975	2.7
107.08599	44.7
109.06525	19.2
109.10160	33.1
111.08100	4.7
117.07017	13.3
119.08581	51.1
121.06467	3.8
121.10181	26.4
121.10902	2.6
123.08115	23.3
123.11718	12.4
125.09587	4.7
129.06999	4.7
131.08542	22.4
133.10138	42.1
135.08044	4.8
135.11711	17.2
137.09625	19.7
143.08649	3.6
145.10153	24.7
147.11702	28.3
149.09622	17.3
151.11201	3.6
157.10234	4.0
159.11688	25.5
161.09480	3.0
161.13271	7.2
163.11140	12.8
165.12750	7.3
173.13272	5.7
175.11099	3.5
185.13261	7.2
209.79781	3.4
219.17397	22.3
247.20595	7.1
257.19089	20.4
269.76917	3.0
275.20087	100.0
289.21661	23.1
307.22668	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	307.2266
Annotation	Androst-5-ene-3beta,17beta,19-triol
Peak:m/z	Relative Intensity
55.01872	7.3
55.05518	44.4
55.59954	2.6
57.03436	19.5
60.05758	3.0
67.05510	47.8
69.07066	17.5
71.04994	5.1
79.05077	4.4
79.05502	71.4
81.07058	44.1
82.97715	2.9
83.04988	17.8
83.08607	18.7
91.05467	28.7
91.44032	3.2
93.07032	53.7
95.04960	5.7
95.08607	27.7
97.10159	41.1
105.07015	41.0
107.04965	20.8
107.08590	70.1
109.10147	26.9
111.08100	5.4
117.07022	7.6
119.08605	31.9
121.06468	6.7
121.10167	30.1
123.11723	4.5
125.09625	58.4
131.08563	19.9
133.10135	40.1
135.08060	20.1
135.11655	7.4
137.09615	7.4
145.10124	17.8
147.11694	20.8
149.09607	55.9
153.09128	14.9
159.11690	14.7
163.11125	3.9
169.12195	3.5
173.13223	5.6
185.13277	3.9
187.13242	3.7
203.12758	49.5
203.14397	6.7
219.17383	33.1
229.19534	3.6
257.19025	20.0
275.20053	100.0
307.22760	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	307.2266
Annotation	Androst-5-ene-3beta,17beta,19-triol
Peak:m/z	Relative Intensity
52.70013	1.7
53.03965	2.1
55.01875	10.2
55.05511	16.5
57.03438	8.0
67.05511	26.9
69.03440	2.1
69.07065	14.3
71.04994	4.2
78.26906	1.8
79.05503	27.4
81.07066	39.1
83.04991	3.3
83.08638	16.0
83.09077	2.4
91.05477	21.8
93.07048	29.7
95.04974	12.5
95.08611	20.6
97.06511	19.0
97.10165	10.6
97.43853	2.0
105.07022	27.7
107.04977	8.3
107.08600	56.3
109.06530	14.3
109.10150	8.9
111.08080	2.6
117.07022	9.2
119.08572	28.2
121.06522	10.6
121.10134	18.9
123.08078	5.0
123.11731	3.7
125.09602	18.7
131.08565	12.7
133.10078	18.1
135.08044	8.7
135.11682	11.7
137.09615	4.3
139.11163	2.3
145.10104	17.7
147.11703	13.6
149.09642	11.5
149.13228	4.3
151.11215	4.2
159.11664	9.0
161.13266	2.9
163.11133	12.6
169.10117	2.7
173.13202	2.3
187.11060	2.5
187.14851	3.2
203.12805	9.1
205.15776	3.0
219.17393	3.1
239.17809	9.0
247.20561	4.0
257.19019	15.8
275.20068	100.0
289.18002	11.0
289.21591	9.2
307.19266	4.2
307.22644	40.1
321.57391	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	307.2265
Annotation	Androst-5-ene-3beta,17beta,19-triol
Peak:m/z	Relative Intensity
51.00637	2.4
51.84423	2.6
51.84985	2.6
55.05518	15.7
57.03224	3.2
57.03446	48.3
60.48878	2.8
61.25579	2.3
61.31942	2.3
67.05506	15.1
68.71809	2.8
69.07078	5.7
79.05497	33.6
81.07069	35.0
83.04952	3.5
83.08630	15.4
85.06555	12.8
91.05477	37.2
93.07049	55.6
95.04967	5.8
95.08618	40.4
96.87943	3.1
97.06530	5.8
105.07026	38.6
107.08593	57.1
109.06493	24.5
109.10152	14.3
116.23498	3.3
117.07035	12.7
119.08585	52.6
121.10128	22.9
123.08084	12.3
129.06987	3.8
131.08571	22.0
133.10126	30.2
135.11711	13.1
137.09636	6.7
143.08533	5.2
145.10139	18.8
147.11758	22.0
147.18488	3.2
149.09639	12.9
157.10092	5.3
159.11674	37.1
161.09540	3.6
161.13240	23.7
163.11130	5.0
165.12755	6.8
171.11713	4.4
173.13268	18.3
175.14780	14.6
185.13275	35.8
189.50310	3.6
191.14355	4.4
201.16350	11.9
203.14345	24.2
219.17429	91.2
235.16954	34.9
239.17891	6.5
240.52184	3.9
257.18970	23.4
275.20032	100.0
275.22922	6.0
289.21616	47.3
307.22668	78.0
307.25961	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	307.2265
Annotation	Androst-5-ene-3beta,17beta,19-triol
Peak:m/z	Relative Intensity
50.85121	1.6
52.43113	1.7
55.01865	8.9
55.05518	26.5
59.05019	1.8
61.32768	1.7
65.97402	1.7
66.01864	1.8
67.05507	27.1
69.03425	1.9
69.07075	10.4
71.04989	2.9
79.05499	55.0
81.07072	23.4
83.05007	15.6
83.08604	12.4
91.05482	21.9
93.07042	51.1
95.04968	8.8
95.08600	17.1
97.06530	3.7
97.10155	15.7
105.07030	31.4
107.04954	11.6
107.08594	41.8
109.10155	14.6
111.08103	3.4
117.07014	9.6
118.19632	2.0
119.08582	23.8
121.10134	22.1
125.09588	15.9
131.08546	8.4
133.10130	20.8
135.08063	2.9
135.11752	4.6
145.10088	9.7
147.11676	15.3
149.09595	16.5
149.13278	2.8
153.09105	2.4
159.11661	5.0
161.13374	2.5
173.30702	1.9
186.21982	2.2
203.12749	21.4
229.19339	2.1
249.16257	2.0
257.18994	11.4
275.20050	100.0
307.22604	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	307.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.2
56.05047	4.3
66.82423	0.5
67.05496	3.6
69.03411	0.8
69.07085	5.0
71.04961	0.5
73.06539	0.5
73.91537	0.5
76.74415	0.5
77.45222	0.5
78.43098	0.5
79.05489	1.2
81.03369	0.6
81.07073	4.6
83.08607	1.0
85.02894	3.2
85.06522	0.7
85.67234	0.6
91.05460	1.4
93.07030	3.5
95.08615	4.4
97.02896	0.9
99.04417	0.6
103.03922	3.0
105.07048	0.7
107.08564	2.6
108.31809	0.6
109.04682	0.6
109.06578	0.7
109.10149	7.6
111.08111	0.7
116.32346	0.6
117.07008	0.7
119.08562	3.1
121.06475	3.1
121.10126	1.4
123.11716	1.0
127.03918	2.7
135.11713	0.9
136.11182	3.1
137.09608	2.4
145.05011	0.8
153.13843	3.4
154.10991	1.1
154.12260	29.2
154.98819	0.6
155.61266	0.6
159.11613	1.0
160.63774	0.7
161.13275	0.7
193.46194	0.6
195.11646	0.7
223.91389	0.6
259.24551	1.2
262.21582	1.2
272.20090	4.5
289.17825	1.2
289.22635	6.6
289.25342	0.7
290.21155	41.5
290.24463	1.3
292.07339	0.6
307.05789	3.4
307.09552	2.4
307.23737	100.0
307.26288	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	307.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.2
56.05047	4.3
66.82423	0.5
67.05496	3.6
69.03411	0.8
69.07085	5.0
71.04961	0.5
73.06539	0.5
73.91537	0.5
76.74415	0.5
77.45222	0.5
78.43098	0.5
79.05489	1.2
81.03369	0.6
81.07073	4.6
83.08607	1.0
85.02894	3.2
85.06522	0.7
85.67234	0.6
91.05460	1.4
93.07030	3.5
95.08615	4.4
97.02896	0.9
99.04417	0.6
103.03922	3.0
105.07048	0.7
107.08564	2.6
108.31809	0.6
109.04682	0.6
109.06578	0.7
109.10149	7.6
111.08111	0.7
116.32346	0.6
117.07008	0.7
119.08562	3.1
121.06475	3.1
121.10126	1.4
123.11716	1.0
127.03918	2.7
135.11713	0.9
136.11182	3.1
137.09608	2.4
145.05011	0.8
153.13843	3.4
154.10991	1.1
154.12260	29.2
154.98819	0.6
155.61266	0.6
159.11613	1.0
160.63774	0.7
161.13275	0.7
193.46194	0.6
195.11646	0.7
223.91389	0.6
259.24551	1.2
262.21582	1.2
272.20090	4.5
289.17825	1.2
289.22635	6.6
289.25342	0.7
290.21155	41.5
290.24463	1.3
292.07339	0.6
307.05789	3.4
307.09552	2.4
307.23737	100.0
307.26288	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	307.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87567	1.8
53.03957	2.7
55.05520	20.2
57.03435	4.8
57.07084	9.3
57.26577	1.9
59.04985	3.3
66.86275	2.0
67.05522	18.6
68.70084	2.1
69.03441	25.7
69.07072	72.4
69.45567	2.5
71.04997	3.3
71.08636	3.9
75.84782	2.1
79.05474	16.1
81.03410	10.1
81.06682	3.5
81.07061	79.1
83.04981	3.4
83.08627	32.3
85.02906	81.3
85.06543	10.4
87.04482	3.2
91.05473	12.9
93.07044	100.0
95.04968	42.0
95.08602	72.8
97.02895	22.1
97.06531	14.3
97.10179	16.1
99.04446	37.1
99.08073	3.0
103.03944	76.4
105.07029	22.4
107.08591	40.7
109.02893	11.6
109.06522	11.8
109.10162	37.1
111.08059	13.4
111.11673	4.8
117.06996	2.9
119.08559	18.3
121.06497	8.6
121.10136	34.9
123.08052	9.2
123.11718	35.3
125.09605	4.2
127.03915	77.8
131.08591	4.4
133.10109	12.5
135.08134	3.5
135.11662	19.9
137.09605	4.5
137.13272	11.3
139.11244	2.9
145.04958	33.4
145.10109	14.0
147.11694	23.2
149.13289	23.3
151.11230	2.8
151.14865	2.7
156.66014	2.8
159.11658	14.1
161.13252	9.0
163.06007	5.7
163.11171	5.1
163.14841	3.7
165.12744	3.1
167.14343	10.8
173.13214	2.7
175.14833	2.6
177.16388	5.5
179.14331	3.6
185.15282	2.8
187.05995	4.1
187.14793	2.7
189.16261	3.0
205.07066	9.7
215.17876	2.8
229.77971	2.4
245.22562	2.9
263.23444	3.4
271.24136	18.1
289.18076	3.6
289.25269	40.2
307.16202	8.8
307.19296	2.5
307.26413	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	307.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68944	1.3
53.03957	3.1
55.05521	16.2
57.03446	3.5
57.06826	2.1
57.07085	47.3
61.02919	6.1
67.05502	9.6
69.03432	20.4
69.07074	16.9
71.04992	3.1
79.05475	2.0
81.03419	15.2
81.07066	26.6
83.04527	2.4
83.04982	34.4
83.08611	7.5
85.02911	75.1
85.06546	35.9
91.05456	1.6
93.07036	14.4
95.08601	35.2
97.02901	24.7
97.06523	2.1
97.10197	3.3
99.04453	38.6
99.08080	1.7
100.99151	1.7
103.03945	87.5
105.07053	6.0
107.08610	14.7
109.02875	15.9
109.06478	3.1
109.10163	21.2
111.08086	6.5
119.08567	2.3
121.10146	10.9
123.11668	13.1
127.03920	100.0
132.77771	1.7
133.10144	3.4
135.11661	11.2
137.09630	2.3
137.13237	9.0
139.11182	1.7
145.04984	27.5
145.10168	2.0
147.11713	3.3
149.13280	8.0
151.09712	1.4
159.11720	1.8
161.13222	1.8
163.06044	11.9
163.14870	3.1
173.63651	1.4
187.06001	8.9
189.16339	6.4
191.17998	2.8
205.07057	5.9
223.20525	10.8
233.18791	1.9
289.25308	7.9
307.26309	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	307.263
Annotation	2,7,11-Cembratrien-4,6-diol
Peak:m/z	Relative Intensity
52.79450	1.4
55.01885	16.6
55.05513	12.5
57.03441	1.5
57.07079	7.0
67.05182	2.2
67.05513	43.2
69.07069	33.3
71.04990	2.3
71.08631	3.1
79.05500	18.0
81.07062	55.2
83.04974	3.8
83.08620	19.1
83.78422	1.6
85.06546	2.3
85.10212	2.6
91.05482	9.2
93.07037	24.0
95.04966	6.3
95.08603	50.4
97.06525	9.6
97.10182	7.3
99.08118	1.9
102.20995	1.7
102.45252	1.7
105.07034	7.6
107.04929	2.0
107.08598	17.4
109.06527	3.0
109.10140	21.2
111.08073	2.0
117.06998	3.6
119.08605	6.3
121.06515	2.5
121.10143	18.0
123.07988	2.2
123.11680	7.9
125.09645	10.9
131.08586	10.0
133.10129	8.4
135.08087	2.5
135.11678	19.3
137.09711	1.5
137.13260	3.2
145.10156	6.6
147.11697	7.2
149.09624	2.9
149.13293	2.3
151.11191	3.5
153.12730	2.4
159.11674	7.2
163.11143	3.8
165.12778	2.8
173.13249	3.6
177.12727	8.0
181.12300	2.3
217.15852	3.0
233.18942	1.9
257.19104	2.0
275.20068	9.2
279.26785	2.3
289.25293	9.1
307.22659	100.0
307.26312	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	307.263
Annotation	2,7,11-Cembratrien-4,6-diol
Peak:m/z	Relative Intensity
55.01875	5.2
55.05524	13.7
57.03462	3.0
57.07084	54.1
59.05006	5.8
61.61572	2.4
67.05511	55.4
69.03435	4.8
69.07075	20.6
71.82796	2.2
72.94830	2.3
79.05495	19.2
81.07061	92.5
82.07413	2.9
83.04979	13.0
83.08628	17.6
85.06528	2.8
91.05470	12.4
93.07037	30.2
95.08607	65.3
96.08959	5.9
97.06537	12.9
97.10155	6.0
99.04453	2.5
103.03963	2.9
105.07045	11.4
105.66299	2.4
107.04940	3.3
107.08604	23.5
109.02869	3.3
109.06544	2.9
109.10160	39.8
111.04439	12.3
111.08106	2.7
117.07037	3.4
119.08590	9.5
121.10133	19.0
122.10476	2.6
123.11713	16.6
125.09642	2.7
127.03929	9.0
127.11186	15.9
131.08580	3.0
133.10179	8.2
135.07967	3.7
135.11694	11.8
137.09575	2.8
137.13258	4.1
145.04961	3.6
145.10170	4.7
147.11687	18.9
149.09615	3.6
149.13272	4.0
158.05995	3.3
161.09555	2.5
163.14828	4.3
165.12695	2.9
165.16496	2.8
173.13226	4.2
174.97470	2.9
177.50154	2.5
204.34909	2.4
272.24561	4.1
275.19983	4.3
289.17984	11.6
289.25159	10.5
290.25540	11.4
307.26144	100.0
316.38336	2.6
329.75842	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	307.2628
Annotation	Icosatrienoic acid
Peak:m/z	Relative Intensity
55.05526	10.8
57.07083	27.0
58.61807	1.4
67.05512	77.6
67.17319	1.2
69.07070	11.7
71.08633	33.0
79.05479	7.9
81.07064	100.0
83.04952	1.7
83.08636	10.4
89.63479	1.3
91.05475	10.3
93.07032	9.0
95.08613	72.2
97.10155	6.2
105.07000	2.7
107.08582	10.4
109.10153	33.6
112.63376	1.3
119.08540	1.8
121.10129	8.4
123.08030	1.7
123.11716	31.7
125.64691	1.6
133.10147	13.8
135.07028	1.5
135.11607	2.0
137.13228	9.4
141.12747	17.0
145.10158	2.2
149.09558	1.7
149.13257	6.4
151.11217	2.0
151.14751	2.3
173.13269	1.9
223.16827	2.5
227.74442	1.6
271.24139	2.0
289.25256	7.5
307.26294	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	307.2631
Annotation	2,7,11-Cembratrien-4,6-diol
Peak:m/z	Relative Intensity
52.16015	1.3
55.01869	8.3
55.05526	15.6
57.03452	1.6
57.07086	13.0
61.93197	1.4
62.49368	1.3
65.81616	1.5
67.05183	2.3
67.05516	41.2
69.03438	1.8
69.07072	25.4
71.04995	2.4
71.08615	2.5
79.05491	21.5
79.18735	1.5
81.06622	2.1
81.07059	51.2
83.04973	8.7
83.08630	28.6
85.06546	1.8
86.95922	1.4
91.05472	3.4
93.07044	26.3
95.08613	41.6
97.06525	7.4
97.10181	12.2
99.08090	1.7
105.07038	3.1
107.08608	21.3
109.10146	18.5
119.08572	3.7
121.10153	25.7
123.11682	9.2
131.08578	3.8
133.10172	5.9
133.78653	1.9
135.08113	2.1
135.11702	8.0
137.13286	3.2
145.10107	2.8
147.11697	2.3
149.09631	2.7
149.13240	7.3
167.14301	12.1
209.15448	2.0
226.82133	1.8
271.24155	5.8
275.20142	3.3
279.26813	2.5
289.25259	12.9
307.23297	3.7
307.26279	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	307.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.3
55.05514	14.0
57.03440	2.3
57.06820	2.8
57.07082	49.6
58.98650	1.3
59.04999	2.5
60.89848	1.7
61.02920	1.9
61.13633	1.4
64.16491	1.5
67.05520	13.8
69.03433	22.9
69.07074	28.2
71.04990	7.7
71.08636	1.9
79.05486	7.3
80.96232	1.5
81.03424	17.1
81.07062	41.5
83.04984	14.3
83.08630	16.5
85.02904	82.4
85.06543	37.6
91.03935	1.8
91.05489	2.6
93.07027	27.5
95.08604	56.8
97.02893	28.7
97.06519	3.2
97.10141	6.5
99.04456	39.0
103.03943	90.4
105.07037	9.1
107.08592	45.9
108.50216	1.6
109.02885	16.2
109.06549	2.6
109.10157	40.3
111.11734	6.5
119.08571	8.9
121.10138	33.2
123.11684	26.3
125.09627	1.9
127.03914	100.0
131.08513	2.3
133.10150	7.5
135.11688	17.6
137.13260	9.1
139.11261	1.9
145.04959	32.6
145.10147	2.6
147.11690	8.9
149.13264	17.0
153.12773	2.6
159.11674	6.7
161.13266	8.1
163.05981	9.6
163.14798	27.7
165.67194	1.7
165.68922	1.8
169.12352	1.9
177.12746	1.8
183.13753	2.8
187.05995	2.9
189.16383	3.4
191.17911	11.1
202.13606	1.7
203.17940	6.1
271.07993	2.2
271.24280	6.3
271.91321	1.8
289.25232	17.7
307.26431	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	307.2629
Annotation	2,7,11-Cembratrien-4,6-diol
Peak:m/z	Relative Intensity
54.52621	2.7
55.01884	25.3
55.05527	37.9
55.57567	3.0
55.73473	3.0
57.03433	5.4
57.07087	32.0
65.03940	3.7
67.05515	75.2
69.03421	7.6
69.07076	49.5
71.04991	6.5
71.08636	8.9
72.65428	3.0
79.05493	49.2
81.03433	5.6
81.07063	100.0
83.04986	8.7
83.08632	43.6
85.06534	5.2
90.67430	3.4
91.05479	22.6
93.07031	50.7
94.59439	3.8
95.04967	18.7
95.08612	94.4
97.02869	3.5
97.06532	21.2
97.10173	32.2
105.07062	30.4
107.04963	3.7
107.08601	86.4
109.06501	6.2
109.10149	42.7
111.18922	3.3
113.09687	3.6
117.07053	14.0
119.08582	29.7
121.10144	42.0
123.08055	7.4
123.11723	14.3
125.09614	22.2
130.06633	3.6
131.00171	5.5
131.08572	8.1
133.10117	32.6
135.08006	5.6
135.11690	19.4
137.09624	21.9
137.13301	4.4
145.10127	20.3
147.11681	16.9
149.01242	29.2
149.09633	28.6
149.13242	8.5
151.11214	6.5
156.03596	21.2
157.10144	4.1
159.11642	18.5
161.13293	4.7
163.11176	4.8
165.12761	4.5
171.11853	3.6
177.05441	8.0
188.28709	4.7
191.02249	6.2
191.14259	3.7
200.27188	3.5
203.12718	7.7
239.18008	5.5
240.01253	3.6
257.18991	20.1
263.33847	3.8
266.14597	29.8
275.15225	12.6
275.20038	69.5
289.21552	4.8
289.25134	4.9
307.22693	46.2
307.26318	89.1
319.94339	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	307.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.5
55.01875	2.2
55.05517	18.4
57.03433	3.6
57.07072	7.4
59.05008	19.2
61.02904	1.4
67.05508	19.8
69.03436	11.1
69.07071	100.0
71.01350	2.9
71.04995	11.6
71.08638	2.2
72.69990	1.2
76.41040	1.3
79.05494	17.3
81.03415	9.5
81.07063	86.1
83.04974	6.0
83.08616	22.2
85.02906	25.2
85.06561	6.6
91.05491	11.4
92.21129	1.7
93.07041	56.7
95.04969	8.2
95.08607	72.1
97.02895	12.3
97.06535	21.8
97.10163	9.2
99.04453	18.8
99.08082	2.6
103.03949	36.0
105.07050	13.2
107.04927	2.8
107.08596	64.7
109.02867	3.2
109.06517	9.5
109.10145	34.0
110.96915	1.3
111.08091	6.0
111.11692	14.2
117.07010	2.8
119.08579	17.8
121.06465	2.6
121.10134	32.6
123.11723	27.7
125.09643	3.1
127.03919	38.4
128.57762	1.5
131.08565	6.0
133.10114	13.3
135.08086	2.0
135.11688	47.5
137.09628	2.8
137.13287	26.6
139.11145	14.2
145.04970	15.0
145.10121	6.8
147.11719	10.9
149.09607	2.8
149.13255	26.5
151.11174	3.0
151.14830	1.7
159.11670	12.6
161.13274	11.4
163.05980	1.6
163.11186	2.4
163.14879	2.1
165.12807	1.6
171.11493	1.4
175.14830	5.9
177.12755	3.4
177.16411	3.3
179.92195	1.7
201.16461	1.6
202.14993	1.5
220.05708	1.7
229.19545	2.0
231.21164	2.1
234.48888	1.5
239.18289	1.6
247.20410	1.6
257.18991	2.0
271.24213	1.8
275.20038	24.0
289.18149	1.6
289.22180	2.8
289.25232	28.6
307.10510	1.9
307.19482	1.8
307.22769	8.3
307.26242	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	307.263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64109	1.0
51.92107	1.1
53.03960	2.4
55.01880	1.5
55.05521	12.3
57.03440	5.5
57.06862	1.3
57.07082	22.3
59.05006	2.2
61.02916	2.6
61.11869	1.0
62.91117	1.1
67.05502	8.7
69.03434	22.5
69.07074	25.0
70.75377	1.2
71.04990	7.1
73.02926	1.7
79.05493	5.1
81.03429	9.9
81.07063	36.8
83.04974	13.8
83.08637	9.6
85.02910	70.3
85.06536	16.5
86.26523	1.2
91.05475	1.8
92.21297	6.6
93.07043	18.7
95.04953	3.2
95.08607	36.4
97.02895	19.6
97.06496	4.6
97.10165	5.3
99.04458	35.4
103.03945	85.9
105.07040	7.2
107.08583	16.6
109.02875	17.0
109.06544	2.7
109.10178	18.2
111.08085	7.7
111.11710	2.5
111.88617	1.3
119.08577	8.3
121.06527	3.0
121.10140	11.7
123.08069	1.4
123.11671	10.4
125.27383	1.3
127.03915	100.0
131.08617	1.4
131.45837	1.4
133.10132	5.5
135.11667	12.7
137.09624	2.9
137.13248	13.0
139.11176	5.6
145.04965	28.8
145.10144	1.7
147.11708	5.2
149.13248	8.9
153.12689	1.3
159.11684	3.1
161.13240	2.9
162.62508	1.6
163.06029	10.0
163.11186	2.0
180.43138	1.5
183.13878	1.6
187.06017	6.0
189.16393	7.1
194.72685	1.3
203.17900	1.5
205.07088	6.1
205.19402	1.3
261.18542	1.8
264.42935	1.2
275.20251	1.4
289.17865	4.9
289.25348	9.7
305.12402	1.6
307.18924	2.9
307.26404	41.2
309.54962	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	308.0916
Annotation	N-Acetyl-b-neuraminic acid
Peak:m/z	Relative Intensity
50.65261	0.2
50.91066	0.3
53.47115	0.2
64.68615	0.2
83.43627	0.2
83.59780	0.2
94.03513	0.3
104.59019	0.3
130.06514	0.5
140.45439	0.3
147.06308	0.3
176.08992	0.4
200.86046	0.3
245.08908	0.3
265.07471	2.1
273.08762	0.4
278.08035	1.5
280.06540	0.4
280.09674	11.0
285.05466	0.5
291.09769	0.6
304.14905	0.3
306.07742	1.9
308.09164	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	308.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98262	0.1
53.18341	0.1
57.40630	0.1
68.17023	0.2
70.17987	0.2
71.07967	0.1
92.63688	0.1
95.11332	0.2
109.53219	0.1
128.53378	0.1
131.31702	0.1
204.07979	0.1
250.08713	0.4
262.08456	0.2
265.07297	1.7
278.08194	1.6
280.06552	0.3
280.09686	12.4
306.07605	2.2
308.09171	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	308.116
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30391	1.5
55.05522	43.3
56.05017	1.8
57.26025	1.6
62.20463	1.6
64.88789	1.6
74.00680	2.2
76.02229	26.2
79.05468	1.9
83.08627	57.8
84.04507	3.8
84.08156	4.0
84.42523	1.8
85.02879	6.5
86.02425	2.3
86.09716	4.4
87.00834	3.1
88.03992	4.2
94.37413	2.0
100.02209	10.3
101.00581	2.2
102.00129	10.3
103.03943	3.2
104.07108	2.8
105.00088	2.4
110.02438	3.0
117.00121	2.3
120.01176	6.9
120.08107	44.4
120.69572	2.0
122.02719	11.0
127.03931	2.7
128.03447	22.3
128.04254	4.4
129.10269	3.8
141.07315	3.7
144.01154	47.5
146.04518	3.8
148.00684	19.5
149.05959	16.6
156.02945	9.2
159.08406	61.1
162.02200	87.2
163.07568	4.5
174.03969	100.0
177.10248	20.1
190.01704	34.4
205.09711	3.1
208.02747	40.2
208.69048	2.2
244.10088	3.5
290.10519	10.8
290.14862	2.8
293.07996	2.0
308.08749	14.0
308.18570	26.4
329.37476	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	308.1525
Annotation	Tebuconazole
Peak:m/z	Relative Intensity
55.05499	1.9
56.46096	1.6
58.99585	1.6
67.05512	25.1
67.47295	1.7
68.89132	1.4
69.07061	7.4
71.04996	92.8
76.02243	2.3
79.05490	7.9
81.07058	27.9
83.04990	3.2
85.06549	100.0
86.99074	2.2
88.03988	1.7
91.05484	32.5
93.07051	9.7
95.04947	2.7
95.08625	2.5
97.06477	2.1
99.04453	1.7
105.00129	7.6
105.07031	17.4
107.08604	30.1
109.06499	1.4
109.10175	40.8
113.06013	2.3
121.10073	1.9
122.02715	13.7
123.11742	13.9
127.07536	2.0
133.10138	96.3
139.11163	6.9
151.09959	3.2
151.11182	72.2
169.12247	88.8
187.13336	13.2
245.12137	2.0
261.39651	1.7
290.14157	6.6
291.12622	67.0
308.15259	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	308.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	1.1
58.06680	0.7
59.90273	0.6
63.71431	0.6
65.94149	0.6
67.05499	3.4
69.03406	0.7
70.06605	0.7
71.05009	0.9
75.31811	0.7
76.06089	0.7
79.05502	1.4
80.05022	45.7
80.51859	0.6
81.07077	1.7
83.08644	0.9
86.06075	0.9
87.04476	22.4
91.05475	1.2
93.07068	0.7
94.06573	1.4
95.08619	5.3
98.19572	0.7
102.37369	0.7
103.50546	0.9
105.07012	0.9
105.83525	0.6
106.06546	1.2
109.10168	3.0
118.06432	0.8
119.08607	1.7
120.08098	1.1
121.06523	0.9
123.08015	1.4
135.07996	0.8
136.07588	13.9
137.09639	0.8
148.07568	30.7
162.09123	1.8
166.08624	95.9
174.09106	5.0
180.10156	0.9
188.10721	4.1
192.10207	0.7
197.64307	0.8
206.11739	1.1
222.14914	0.9
254.15387	1.1
262.21686	2.7
272.16428	5.2
290.17804	9.2
290.21155	30.9
291.19223	1.1
307.98636	0.7
308.18549	100.0
308.22208	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	308.2219
Annotation	Betaxolol
Peak:m/z	Relative Intensity
53.03940	1.7
55.01894	2.2
55.05522	11.9
57.03444	2.1
57.07085	55.8
61.87376	1.6
67.05509	17.8
69.07060	6.5
71.04999	2.4
71.64348	1.3
74.21097	1.4
79.05496	11.4
81.03424	8.0
81.07064	18.6
82.07388	2.4
83.04992	1.8
83.08636	6.5
85.06075	3.3
85.06547	62.5
91.05474	6.8
93.07040	9.6
94.73690	1.4
95.04975	10.6
95.08609	8.3
97.10159	7.8
105.07029	8.3
107.04967	6.1
107.08620	11.9
109.06552	2.1
109.10183	13.2
111.08069	2.2
119.08604	9.5
121.06475	3.7
121.10154	6.5
123.04459	1.9
123.08096	3.5
125.09631	7.0
131.08574	2.4
133.10139	7.2
135.08073	1.8
135.11690	2.6
137.09621	33.4
145.10123	7.3
147.11670	2.4
148.12054	1.9
149.09625	3.2
151.11194	2.4
161.13332	3.4
163.11195	8.9
165.09100	7.8
170.11781	7.8
171.11684	5.9
173.11644	1.8
177.12766	2.4
179.10666	10.0
189.12724	3.4
191.10638	3.2
193.12294	2.2
207.13800	20.3
213.16502	1.5
245.19002	13.8
273.18530	23.2
276.20361	16.6
291.19550	100.0
308.18726	2.7
308.22107	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	308.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	11.8
57.07085	5.7
67.05505	18.8
69.07072	25.4
71.04997	3.1
71.08642	30.0
75.73672	1.2
79.05508	12.3
81.06616	1.7
81.07067	32.2
83.04983	1.4
83.08621	16.2
85.06507	1.2
85.10164	1.5
86.74059	1.2
91.05465	2.6
93.07053	26.0
95.04977	2.8
95.08610	34.9
97.06535	7.9
97.10168	11.9
99.08095	16.2
100.07642	2.3
105.07022	9.5
105.18272	1.2
107.08620	14.1
109.06533	18.0
109.10153	19.0
111.08046	2.3
111.11724	3.2
114.09203	2.4
119.08575	10.1
121.10146	11.4
123.08096	6.4
123.11684	7.1
125.09613	2.0
128.10712	2.0
133.10136	10.5
135.11703	8.4
137.09637	2.2
147.11723	9.0
147.12753	1.4
149.13229	2.8
151.11176	5.6
153.12796	2.3
161.13264	3.0
163.14882	2.1
165.11389	1.4
165.12746	40.3
175.11229	1.5
175.14771	9.6
177.12755	1.6
179.14336	5.1
189.16339	1.4
193.15929	8.1
235.17023	10.5
263.23709	1.6
273.25772	2.7
276.20407	3.1
281.17395	1.5
291.23227	82.9
291.26773	13.2
308.22678	4.3
308.25854	100.0
308.29468	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	308.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22165	2.3
55.05525	40.8
57.03440	4.8
57.07081	37.7
58.34724	2.4
59.40718	2.2
59.40998	2.5
67.05505	50.9
69.07075	76.4
70.06593	2.9
71.08633	15.1
72.08144	4.1
74.12148	2.6
79.05499	24.4
81.07066	86.2
81.07544	3.0
83.05000	3.5
83.08622	60.0
85.06524	3.4
85.10161	2.9
86.06050	4.9
86.09724	2.9
91.05479	13.1
93.07047	26.8
95.08611	87.1
96.08142	3.8
97.06525	13.4
97.10160	40.5
99.08121	3.0
100.07600	12.6
105.05901	2.9
105.07022	5.4
107.08621	19.4
109.10155	59.1
111.08117	5.9
111.11709	11.2
114.09172	17.3
119.08575	17.5
121.10141	24.1
123.08090	4.7
123.11712	27.5
125.05991	19.0
125.09627	5.8
126.09164	4.7
128.10693	5.0
133.10130	18.5
135.11679	20.3
137.09619	3.6
137.13258	6.4
142.08649	22.5
143.07007	3.6
147.08058	3.6
147.11679	16.8
149.13292	5.8
151.11162	2.9
153.12730	2.8
158.88588	2.6
161.13251	11.7
162.71877	2.7
163.14755	4.0
165.16322	4.3
175.14822	4.3
189.16388	3.7
191.17934	4.0
226.21629	3.7
245.18929	38.3
273.25787	40.6
276.20377	3.4
290.18347	16.3
290.21277	3.9
291.19611	23.3
291.26819	73.9
308.22327	11.3
308.25952	5.7
308.29483	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31869	4.0
55.05521	28.9
57.07089	21.2
60.85525	4.2
67.05517	42.5
69.07076	52.6
71.08638	10.7
72.08162	4.4
79.05501	10.0
81.07059	80.0
82.07381	6.0
83.08640	54.3
83.47849	5.4
91.05480	9.5
93.07027	25.1
95.08603	81.6
96.60487	5.0
97.06527	9.2
97.10181	37.4
100.07627	8.0
105.07025	19.4
107.08591	26.5
108.08965	6.0
109.06520	5.5
109.10143	43.0
111.08099	5.8
113.86294	5.7
114.09216	5.0
114.27842	4.8
119.08603	7.7
121.10142	24.8
122.10453	6.4
123.11737	20.2
133.10149	12.6
135.11725	8.5
137.13287	6.6
146.05499	5.2
147.11702	10.5
153.12781	5.1
168.69995	5.8
170.30162	5.4
273.25793	33.6
276.20273	5.5
291.26782	37.3
308.22488	8.3
308.25974	10.4
308.29373	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60266	0.6
55.05517	13.0
57.07077	2.3
63.92670	0.8
65.88713	0.9
67.05509	7.2
69.06740	1.5
69.07076	20.0
71.08646	1.4
72.04524	75.8
75.27218	1.0
79.05499	1.8
81.07066	16.2
83.08637	11.0
91.05486	1.6
92.21549	1.2
93.07047	4.1
95.08616	18.5
96.84877	0.8
97.06567	1.2
97.10178	8.7
100.07619	1.1
102.37560	1.0
102.95279	0.9
103.89022	0.8
107.08618	1.5
109.10168	10.5
111.07979	1.0
111.11779	0.9
114.09170	10.9
119.08499	1.2
121.10175	1.8
123.11702	5.0
128.10718	6.9
133.10146	1.5
135.11734	1.6
137.13287	1.7
140.10686	1.0
142.12315	6.8
147.11726	0.9
149.13304	1.5
151.11243	1.0
156.13840	4.3
168.13876	1.1
169.51523	0.9
170.15425	4.4
174.47009	1.1
175.14949	1.0
184.17032	1.3
187.14250	1.1
210.18575	1.1
212.20300	1.3
224.19809	1.0
226.21675	1.6
226.32022	0.9
273.25790	2.0
284.87802	0.9
291.26746	5.6
308.29492	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	309.0266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.5
54.52969	1.4
57.03428	2.8
60.05650	1.7
65.68113	1.8
69.03422	11.8
69.03777	1.9
70.06590	2.1
71.04984	2.9
72.08150	2.8
72.93763	3.5
73.02910	4.6
76.05088	3.4
81.03425	14.5
81.04568	2.5
84.08136	7.5
85.02905	19.7
86.09689	2.6
90.94839	4.3
95.22851	1.6
97.02891	13.7
98.97578	2.6
102.94806	2.0
103.03954	3.3
109.02870	11.5
111.51833	7.5
114.94794	2.4
116.99747	2.9
120.52335	7.7
122.06291	2.7
122.07151	51.5
127.03876	4.2
128.96315	2.0
129.86909	1.8
130.08626	15.0
130.52554	1.9
131.40703	1.7
132.52328	4.6
132.95831	100.0
138.52303	9.0
139.53055	3.8
140.05287	3.8
140.96384	2.1
144.52327	3.2
144.95824	25.9
146.97350	8.8
147.07617	2.5
147.52818	9.0
150.96883	44.5
152.05569	2.4
153.52809	4.2
154.97911	2.8
158.97404	35.0
162.96883	20.2
164.98505	3.6
166.97986	2.3
168.95833	3.9
170.06340	81.6
170.97375	22.4
172.95309	3.7
174.53383	2.7
174.96880	73.5
175.03130	2.7
176.98424	13.1
184.03615	2.7
186.96884	59.0
187.52263	2.4
188.07388	67.8
188.98454	32.8
190.96359	3.9
192.97890	18.4
198.96884	41.7
204.01903	2.8
204.97942	17.6
205.04169	4.0
206.99510	4.1
210.96866	10.9
212.04951	27.0
216.97949	40.1
219.01704	2.5
221.05499	23.7
222.02777	2.5
228.97942	6.6
230.99516	3.5
234.98993	73.2
239.14049	1.8
247.02431	2.7
249.00655	2.8
251.04538	6.7
252.99930	1.8
267.01633	4.1
277.00064	39.2
277.07642	2.5
291.01584	8.0
295.08725	4.6
309.02640	91.9
309.07977	3.2
309.13596	2.7
309.16751	3.3
309.22168	3.8
327.03812	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	309.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08357	0.5
51.42976	0.5
55.05516	0.8
65.03941	1.5
67.05488	3.0
69.03435	0.6
69.07056	2.9
79.05511	0.9
81.07043	4.6
83.08632	1.2
85.02920	0.6
85.06540	1.3
89.03915	2.3
91.05471	0.7
92.20960	1.3
92.21491	0.9
93.03409	1.4
93.07047	2.7
95.08615	4.3
97.02890	100.0
99.08065	1.0
105.07038	1.2
107.04976	1.1
107.08586	3.1
109.06521	0.9
109.10136	2.7
117.03377	7.7
117.28144	0.5
119.08575	1.0
121.10163	0.8
129.06981	1.3
133.06581	0.6
133.10126	0.8
135.04375	0.6
141.07042	0.7
145.02849	55.2
147.04434	1.4
149.02322	3.5
149.05989	3.4
149.13275	0.9
151.03842	0.7
157.06497	2.6
167.03418	8.0
169.06468	1.0
172.04662	0.6
177.05461	98.6
184.16547	0.6
187.07610	0.6
189.09125	2.8
199.07535	1.1
217.08592	3.1
227.07030	1.3
245.08061	6.4
266.07651	0.7
268.06732	0.6
273.07443	1.0
273.18460	0.9
281.10095	1.3
291.08658	7.2
291.19385	0.9
291.26666	2.1
309.09460	5.6
309.21875	3.8
309.27948	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	309.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.3
55.05505	0.9
57.03438	0.5
58.87629	0.3
59.05002	2.2
66.07227	0.4
67.05494	1.8
67.89942	0.3
69.03429	2.1
69.07070	4.2
72.59032	0.3
73.25272	0.3
75.17474	0.3
79.05502	0.4
81.07067	6.1
83.08629	1.7
85.06541	0.8
86.42404	0.3
89.03921	0.8
90.61178	0.3
91.05477	0.5
92.20961	0.4
92.21451	0.4
93.07042	2.3
95.04984	0.3
95.08609	3.5
97.02898	10.2
97.10171	0.5
99.08086	2.5
100.24619	0.4
107.08563	1.7
109.10152	2.8
111.11681	0.5
117.03367	3.4
119.08607	0.8
121.10153	2.0
123.11726	0.8
125.09580	0.4
133.10075	0.4
135.11707	1.5
137.05893	0.5
137.13255	1.5
139.04921	0.3
139.11134	0.3
145.02855	35.2
147.04413	1.7
149.05972	1.5
149.13254	2.3
163.14830	0.9
174.00313	0.4
177.05470	100.0
195.06512	1.9
206.95900	0.4
240.03462	0.4
273.07642	2.7
273.18484	0.5
291.08646	5.1
291.19601	2.2
291.26880	2.3
309.09589	9.1
309.20612	0.6
309.27814	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	309.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.4
57.49828	0.3
59.04985	0.4
67.05497	1.6
69.03432	2.5
69.07052	1.5
76.83537	0.3
79.05483	1.7
81.03453	0.3
81.07056	3.1
83.08614	1.6
85.02898	0.3
85.06544	0.6
89.03860	0.5
93.07035	2.9
95.04980	0.4
95.08601	3.2
97.02895	8.9
97.06490	0.3
97.10153	1.2
99.08115	1.2
107.08588	1.9
109.10155	1.4
111.08089	0.7
113.06003	0.3
115.03922	0.3
117.03354	3.6
119.08562	0.3
121.10125	1.6
123.11682	1.4
137.05945	0.5
137.13179	0.4
145.02849	31.6
148.47513	0.3
149.05975	1.2
149.13251	1.3
177.05463	100.0
195.06566	2.4
273.07565	2.9
291.08661	4.8
291.19504	1.2
291.26901	0.7
309.09702	9.9
309.20615	0.7
309.27805	1.9
328.75546	0.3
332.27267	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	309.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02154	0.2
50.56059	0.2
51.73299	0.2
57.07019	0.2
62.44858	0.2
62.91360	0.2
67.05544	0.2
69.03438	2.4
69.07062	0.4
81.07043	0.4
81.24633	0.2
82.97866	0.2
83.08625	0.3
83.81567	0.2
89.03922	1.2
94.75159	0.2
95.08582	0.4
97.02888	10.1
103.72782	0.2
107.08607	0.3
117.03360	2.9
134.03613	0.3
137.05954	0.4
145.02844	31.6
149.05975	1.5
166.99915	0.3
177.05458	100.0
195.06537	1.6
273.07605	2.5
291.08633	4.6
309.04385	0.3
309.09619	9.1
309.27823	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	309.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30503	0.5
55.03425	0.5
56.55758	0.6
57.03431	0.7
59.05001	5.1
60.04526	9.1
69.07085	0.6
70.02944	3.4
81.07066	0.8
84.60345	0.6
85.02897	3.2
86.09657	0.7
88.04007	2.6
94.06564	4.2
95.04980	0.8
96.00877	0.8
97.02899	0.9
102.05547	100.0
104.03435	4.9
104.04937	0.7
113.02367	19.0
120.04453	4.6
124.07564	0.9
132.04422	1.3
136.07591	5.1
138.01866	1.3
144.06566	0.8
146.06007	81.5
156.02908	25.8
156.04120	1.2
162.58255	0.6
164.07069	2.6
174.05493	42.6
174.48341	0.8
177.05508	3.7
188.05528	40.7
206.08125	6.8
216.05049	15.2
277.08051	1.4
303.51523	0.7
309.10864	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	309.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09199	2.2
54.21436	2.4
56.05046	44.5
56.41354	2.2
62.52512	2.6
68.05029	7.0
69.03436	42.5
71.46983	2.7
72.04522	29.2
73.02928	3.2
74.06081	30.0
76.05126	47.0
81.03437	23.0
84.46803	2.9
85.02892	4.5
87.04491	3.2
91.02211	2.9
94.02937	3.2
96.04507	27.0
98.06059	19.8
98.29954	2.8
102.05546	14.1
102.68076	2.6
112.03951	4.6
116.07111	12.5
116.08215	100.0
118.05019	50.5
123.06837	3.9
128.93123	2.6
132.95815	13.5
134.06044	33.7
136.07591	18.2
144.06548	29.8
152.07091	7.1
154.08609	22.7
157.00768	3.0
160.07162	44.7
170.08113	58.3
172.09680	5.1
177.09874	14.6
180.06592	30.7
186.96912	3.5
188.09230	14.7
195.07707	3.4
196.06035	21.1
198.07649	13.4
213.08662	35.5
216.08577	3.8
229.13026	5.7
255.09700	60.7
273.10721	26.4
291.11874	30.2
306.34814	3.4
309.02655	6.4
309.13855	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	309.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77285	1.4
51.00382	1.4
56.17759	1.4
58.04073	1.9
58.24749	1.6
60.04508	1.9
69.03428	3.9
72.04516	20.2
74.06087	21.3
75.98769	1.7
76.05130	47.0
81.03430	3.0
87.04459	2.1
94.06567	1.8
98.06076	1.6
116.08208	100.0
118.05023	43.6
120.06575	1.8
128.07053	2.0
131.49139	1.6
136.07549	9.1
144.06592	2.3
154.08600	22.6
160.07153	53.6
170.08099	19.8
172.09744	7.2
177.09811	16.3
177.53084	1.8
188.09122	8.8
198.07712	2.1
204.88951	12.9
216.08658	3.1
229.12923	10.7
273.11920	11.9
291.13025	13.1
309.14032	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	309.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	19.1
58.04087	1.6
59.04883	1.3
59.80185	1.3
60.04520	1.8
63.67237	1.3
63.69115	1.2
68.05034	2.5
69.03429	15.6
72.04521	26.3
73.07249	1.3
74.06087	24.2
76.05131	46.3
77.63089	1.4
81.03410	7.9
85.02896	3.4
87.04459	1.9
96.04498	8.9
98.06053	2.9
102.05545	2.8
102.06638	2.5
110.06008	1.6
116.07020	2.7
116.08214	100.0
118.05016	45.3
120.06557	1.5
134.06023	12.4
136.07597	9.0
144.06598	11.5
152.07076	7.5
154.08661	22.4
160.07158	48.2
170.08098	31.5
172.09660	7.5
177.08502	1.5
177.09863	14.9
180.06519	12.0
188.09201	8.0
193.93784	1.5
196.06015	2.5
198.07558	5.6
213.08748	14.9
213.24464	1.5
216.08623	6.0
229.12965	9.0
238.20602	1.9
242.69258	1.7
255.09694	20.9
273.10629	11.5
277.07742	3.5
291.12656	16.0
295.08740	12.5
309.14008	48.7
309.42059	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	309.1807
Annotation	Ubenimex
Peak:m/z	Relative Intensity
51.74787	0.3
57.03445	1.5
59.05013	0.5
67.05503	0.5
69.07072	0.4
70.96103	0.3
77.91137	0.3
79.05486	0.5
81.07052	1.9
83.05009	0.4
85.02929	0.5
85.06560	0.6
86.09711	19.1
88.03984	1.5
91.04957	0.5
91.05483	8.4
93.07040	1.6
95.04967	0.6
95.08609	0.7
97.02888	2.7
99.08096	2.3
102.05562	6.1
105.07030	0.7
107.04934	0.4
109.06506	1.3
113.02370	0.8
117.03438	0.5
118.06534	0.4
119.04944	9.6
121.06502	0.7
127.07501	0.6
136.07582	100.0
144.10236	1.6
145.02837	2.2
146.06009	5.0
146.11757	16.2
147.04445	3.4
156.02899	1.6
174.05571	1.4
177.05470	5.2
188.05489	2.6
206.08136	0.6
216.05022	0.7
221.09666	0.8
235.85330	0.3
249.09061	0.4
249.16003	2.3
273.18549	0.8
277.08496	0.6
281.11765	1.7
291.19522	2.7
292.15387	0.5
309.11224	4.0
309.17938	11.3
309.20786	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	309.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29251	0.4
55.05521	9.8
56.84032	0.4
57.07075	0.5
59.05014	3.5
69.07076	100.0
71.08640	0.6
73.06549	0.6
85.02901	6.5
87.04481	3.4
87.08102	0.7
97.02888	1.0
97.45715	0.4
100.98088	0.5
105.05533	0.9
109.02945	0.4
111.11726	26.0
122.12645	0.4
127.03919	1.8
129.12755	43.1
145.04938	0.7
147.04358	0.8
147.13826	4.8
159.01122	0.5
161.94736	0.5
175.32671	0.5
177.05530	0.7
226.99922	0.8
245.01073	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	309.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35616	1.2
55.05520	17.0
59.05008	2.6
69.03419	1.6
69.07076	100.0
76.02234	2.8
83.08626	6.9
84.08939	1.8
85.02898	8.6
92.92694	1.2
103.68984	1.5
111.11730	29.4
119.04932	1.7
120.08085	1.6
128.03481	2.0
129.12755	51.6
146.06030	2.1
147.04405	13.5
147.13824	6.6
155.08281	1.3
160.08705	5.8
162.02173	3.4
163.02502	2.4
163.47693	1.5
174.03976	5.5
175.04309	6.4
177.05450	2.8
191.02109	2.5
208.02779	1.8
209.03169	1.3
209.16354	1.4
227.00000	2.1
238.48825	1.5
245.01035	5.9
249.08760	1.4
260.03595	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	309.2058
Annotation	5-O-Methylembelin
Peak:m/z	Relative Intensity
55.05528	1.1
63.25899	0.5
63.45341	0.4
65.93347	0.5
67.05511	3.3
69.07068	3.2
79.05498	1.1
79.96037	0.4
81.07069	9.5
83.05023	0.8
83.08616	1.1
91.05471	0.8
92.52293	0.5
93.07035	1.2
95.08605	3.5
97.02872	0.8
105.07014	0.9
107.08579	2.6
109.06516	4.6
109.10161	1.2
111.04443	11.9
111.08140	0.6
119.08576	2.4
121.10128	3.6
123.08085	0.6
123.11697	0.6
125.05992	3.5
131.08580	0.8
133.10133	2.1
135.08080	1.1
135.11679	4.1
137.05981	100.0
137.13208	0.8
147.07996	1.3
147.11633	3.8
149.09583	3.9
149.13271	0.7
151.07547	1.3
157.10167	0.8
159.11725	0.7
160.74763	0.6
161.09572	4.1
161.13246	1.0
163.11172	3.4
165.09125	1.2
171.11571	0.7
175.11159	4.3
175.14713	0.7
175.38741	0.6
177.05455	2.6
179.10692	1.2
189.12666	0.9
203.17950	4.0
213.16399	2.4
221.19041	0.9
223.14954	0.8
231.17413	5.0
241.15848	0.8
249.18465	5.0
256.59494	0.7
277.17987	56.1
293.89526	0.5
295.18991	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	309.2059
Annotation	Soraphen O
Peak:m/z	Relative Intensity
52.09865	1.6
53.03964	2.8
53.56655	1.6
54.84561	1.8
55.01878	3.7
55.05519	7.5
55.57703	2.0
57.03446	45.6
59.05013	2.0
61.43634	1.6
62.80304	1.8
67.05516	21.0
69.03445	2.8
69.07063	9.3
71.04997	11.8
79.05508	23.2
81.03415	1.8
81.07061	52.2
83.04971	2.7
83.08625	7.5
85.02897	14.6
85.06548	17.1
86.09706	2.8
91.05476	17.1
93.07050	31.8
95.04951	16.2
95.08613	16.6
97.06545	7.2
97.10170	2.9
99.08098	100.0
105.07024	22.3
107.04960	10.7
107.08580	19.2
109.06525	16.2
109.10162	11.4
111.08067	3.8
113.05988	3.1
116.08220	3.2
117.07019	10.9
119.08590	17.7
121.06499	11.6
121.10133	16.5
123.08067	13.8
125.00252	2.2
125.09636	3.5
127.07586	26.1
129.05473	2.4
129.07037	3.7
131.08597	19.2
133.06456	4.4
133.10144	17.3
135.08078	10.8
135.11644	7.6
136.07616	2.8
137.09610	3.2
143.08554	4.4
145.06532	3.0
145.10132	13.0
147.08058	8.2
147.11684	7.4
149.09637	11.3
149.13254	2.9
157.10143	8.4
159.11662	9.1
161.09647	4.2
161.13199	2.8
163.11136	2.5
171.11723	3.6
173.01610	2.1
173.09579	2.7
173.13240	4.4
175.11232	3.1
176.81032	1.8
183.11635	3.9
191.14240	2.8
199.14690	3.1
201.12737	3.5
217.15868	8.4
219.13765	8.3
221.15399	4.1
235.16956	2.5
245.19035	3.7
251.16385	2.5
255.17529	2.5
263.19891	3.3
273.18481	32.9
291.19547	70.6
294.67593	2.0
309.11157	2.4
309.14978	2.8
309.20737	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	309.2058
Annotation	Soraphen O
Peak:m/z	Relative Intensity
54.60566	1.6
55.01883	3.4
55.05510	12.0
57.03446	36.7
59.74493	1.7
67.05511	22.7
69.03433	2.4
69.07066	13.4
71.04981	10.3
79.05499	25.8
81.03407	3.1
81.06610	3.0
81.07063	55.5
83.04984	10.5
83.08606	8.4
84.08127	3.1
85.02905	19.5
85.06547	19.1
91.05483	21.6
93.07044	26.8
95.04957	12.8
95.08595	16.7
97.06532	11.3
97.10139	9.1
99.08096	100.0
101.06022	1.8
105.07028	18.5
107.04955	15.2
107.08613	14.2
109.06516	17.9
109.10156	9.9
111.04420	2.5
111.08023	3.0
113.06018	6.6
117.07027	4.2
119.08582	18.0
121.06505	10.6
121.10108	15.7
123.08056	11.9
125.05978	2.4
125.09612	3.2
127.07549	28.1
129.05496	3.2
129.06990	7.0
131.08525	14.9
133.06451	2.5
133.10121	14.5
135.08034	14.1
135.11687	8.0
137.09589	4.4
143.08603	2.6
145.02869	2.2
145.10101	15.6
147.06488	3.3
147.08063	4.4
147.11694	4.2
149.09624	10.3
151.11087	2.0
153.69312	1.7
156.02719	1.8
157.10124	3.2
159.11702	7.3
161.09592	3.6
163.11148	3.8
165.09102	1.9
168.09209	1.7
171.11671	3.8
173.09689	1.8
173.13239	8.2
175.11157	4.4
177.05455	3.2
189.11223	2.9
189.16402	2.0
201.12773	2.9
207.13826	2.9
217.15891	9.6
219.13849	6.9
221.15294	2.8
227.18018	2.4
245.04604	3.4
245.19069	2.6
255.17389	2.4
263.20157	2.8
267.23666	1.9
273.18469	38.9
281.22424	2.3
291.19565	79.1
309.20563	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	309.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49467	0.3
55.01875	1.7
55.05512	2.1
57.03444	15.5
57.07067	1.4
67.05512	10.5
69.03419	0.5
69.07076	2.5
71.04994	2.1
71.08628	2.4
79.05501	3.5
81.03433	0.3
81.07061	6.1
83.04982	0.5
83.08620	2.1
85.06548	21.5
91.05485	3.3
93.07034	5.7
95.04969	22.4
95.08611	3.8
97.06535	0.7
97.10168	1.8
99.08097	1.3
102.41218	0.3
105.07025	2.7
107.04948	1.4
107.08599	5.1
109.06522	13.7
109.10149	2.2
111.08079	0.5
113.06004	100.0
117.07014	1.9
119.08562	2.3
121.06521	1.5
121.10136	2.6
123.08083	1.4
125.09625	0.6
129.07004	1.5
131.08582	3.8
133.06454	0.4
133.10144	2.2
135.08063	15.3
135.11659	2.2
136.77834	0.4
137.05966	2.8
137.09644	0.4
138.06300	3.1
139.06433	3.4
140.06808	1.5
143.08574	1.9
145.10135	3.1
147.08031	0.8
147.11684	1.2
149.09613	2.3
151.11148	1.4
155.08569	0.5
157.10130	1.3
159.08073	0.5
159.11688	1.6
161.09586	2.4
161.13223	0.7
163.11214	2.1
165.09032	0.4
165.12859	0.4
171.11673	0.5
173.13196	0.7
183.11676	0.3
185.13409	0.3
189.16423	0.4
195.13768	1.3
196.03653	0.3
199.14891	0.6
201.12775	0.4
217.15872	3.9
227.17899	0.5
241.19356	0.4
255.17400	0.4
259.20712	0.5
268.31885	0.4
273.18503	7.2
277.21588	3.3
291.19537	43.6
309.20645	5.0
309.24243	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	309.221
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25657	2.4
52.92395	2.2
53.00306	2.2
53.28291	2.0
53.88140	2.2
55.05521	19.2
57.03447	5.1
57.07078	3.5
60.18509	2.5
67.05520	25.8
69.07076	22.4
71.04996	3.1
71.08643	3.9
79.05494	24.0
81.03443	4.2
81.07069	42.1
83.08594	5.1
91.05483	27.7
93.06483	3.8
93.07047	78.3
95.04976	42.7
95.08614	47.6
97.06528	21.3
105.07037	70.1
107.08603	46.8
109.06529	13.5
109.10184	25.3
115.55077	2.6
117.07021	15.9
119.08589	53.5
121.06473	5.9
121.10140	100.0
123.08040	6.5
123.11759	5.6
128.06204	6.2
129.07018	5.2
130.07817	4.0
131.08568	39.0
133.10114	50.4
135.08029	3.9
135.11707	16.5
141.07021	5.8
142.07768	12.5
143.08575	30.4
144.09319	4.5
145.10132	54.7
147.11613	20.7
149.09711	2.5
155.08578	6.0
156.09306	3.8
157.10127	37.6
159.08044	4.1
159.11716	36.5
161.09624	4.7
161.13211	5.7
168.09213	2.6
169.10126	14.7
171.11707	21.4
173.13293	16.9
174.26999	2.8
175.14828	4.7
177.05562	3.1
179.14365	4.4
181.10042	3.9
183.11717	17.3
185.13269	13.1
187.11186	12.6
187.14830	27.3
197.13280	16.9
199.14809	10.7
207.11705	3.4
209.13295	5.6
211.14778	5.7
213.16347	3.0
225.16342	5.7
235.14737	3.6
239.17778	3.2
241.19470	3.2
253.15868	5.0
253.19548	3.0
265.19711	4.6
277.21533	9.8
281.22702	4.4
291.21057	4.7
309.22092	99.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	5.8
57.03452	4.6
57.07078	5.5
59.22090	2.7
67.05508	31.4
69.07068	21.2
71.08636	8.3
79.05495	20.6
81.03426	3.2
81.07056	51.7
83.04987	6.4
83.08624	7.8
91.05471	23.7
93.07049	63.9
95.04972	48.0
95.08605	50.9
97.06525	24.4
97.10187	3.7
105.07038	61.5
107.08602	39.3
109.06496	20.5
109.10188	20.4
117.07023	15.4
119.08571	57.2
121.06522	6.7
121.10140	100.0
123.08043	15.2
123.11731	3.4
129.07018	7.5
130.07761	3.8
131.08548	33.8
133.06456	4.8
133.10139	47.3
135.08081	3.2
135.11665	6.5
135.89780	3.3
136.69395	3.5
139.03587	4.0
142.07790	5.3
143.08542	17.8
144.09366	3.9
145.10130	49.2
147.11674	8.1
149.09586	5.6
152.10703	6.4
155.08510	7.1
156.09351	5.2
157.10167	27.9
159.11671	37.1
161.09660	12.6
161.13274	7.4
169.10139	15.1
169.70975	3.6
170.11092	4.4
171.11711	14.0
173.13287	14.4
175.14864	7.0
177.05408	7.3
185.13251	20.4
187.11263	6.7
187.14844	16.1
195.11823	4.5
197.13202	6.8
199.14719	6.7
223.14865	6.2
225.16182	5.0
235.14639	4.9
243.55347	5.2
277.21646	6.6
292.22842	16.1
309.22055	75.9
309.25067	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	309.242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98756	0.8
55.05282	0.8
55.05518	7.2
57.03444	1.0
57.07079	4.1
67.05522	8.5
69.07073	13.1
71.04977	1.2
71.08633	13.8
71.26398	1.0
72.33449	0.9
79.05495	6.6
81.07067	18.5
83.05008	1.5
83.08615	8.3
85.06570	1.5
91.05459	1.2
93.07050	15.0
95.08613	18.8
97.06536	4.9
97.10172	4.8
98.67251	0.9
99.08096	6.7
105.07048	7.1
107.08593	12.0
109.06528	6.7
109.10152	7.6
111.08111	1.3
119.08614	4.0
121.10159	7.4
123.08098	1.1
123.11701	2.4
125.09634	1.1
131.08533	1.3
133.10152	4.4
135.08116	0.9
135.11705	4.9
147.11731	1.5
149.13272	4.5
151.11139	3.6
151.14842	1.2
153.12787	1.6
159.11658	1.1
161.13301	1.3
163.14832	1.3
165.12756	12.7
175.14908	1.2
179.14253	1.6
189.16252	1.3
193.15895	5.8
288.13858	1.1
291.23276	10.6
309.24265	100.0
309.29391	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	309.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	16.8
57.03445	2.7
57.07080	2.9
59.82227	2.0
67.05505	24.3
69.07071	11.7
71.08633	100.0
76.21445	2.2
79.05502	22.2
81.03443	3.7
81.07066	32.8
83.04971	11.9
83.08632	9.4
91.05492	19.0
93.07036	30.8
94.04966	2.3
95.04976	4.3
95.08615	26.2
97.06528	9.1
97.10179	4.6
99.08094	65.0
105.07027	23.6
107.04947	4.6
107.08582	19.3
109.10180	12.3
110.54565	2.3
117.07002	3.6
119.08611	16.1
121.10117	16.2
129.07036	2.7
133.10117	5.4
135.11714	11.7
137.09630	5.0
139.11197	2.3
143.08546	3.3
145.10138	4.4
147.11679	12.7
149.13258	4.9
151.11188	47.6
153.12717	2.9
160.63513	2.4
161.13243	23.4
163.11186	15.2
163.14844	2.7
175.14796	2.8
179.14336	21.0
189.12756	4.9
199.14862	4.8
237.26074	2.2
241.19550	9.3
253.25862	2.4
259.20566	11.4
277.21585	90.0
309.24155	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	309.2422
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03967	2.3
55.05523	13.3
57.07081	2.1
65.93731	1.2
67.05513	29.7
69.07072	25.1
71.05006	2.1
71.06628	1.5
71.08645	2.9
75.33028	1.5
79.05499	19.2
81.03424	32.6
81.07059	26.7
83.04985	13.4
83.08649	9.7
85.10171	2.4
87.27679	1.4
91.05487	11.2
93.07046	24.7
95.04966	25.9
95.08608	15.5
97.04547	1.6
97.06516	1.7
97.10177	8.6
105.07032	13.4
107.08605	20.9
109.06535	3.5
109.10139	12.9
111.73570	1.3
119.08595	6.3
121.10141	9.5
123.08064	1.7
123.11709	2.8
125.09642	8.6
129.06966	1.8
131.08536	1.9
133.10123	15.3
135.06299	1.4
135.08060	1.7
135.11697	3.3
147.11674	10.9
151.11183	31.6
153.09090	2.5
161.13229	10.3
165.12715	10.2
170.48392	1.5
171.11699	1.9
175.14915	2.2
177.12880	1.6
179.14362	1.9
203.12804	5.6
226.39510	1.5
231.21098	5.3
241.19528	5.6
249.22125	2.3
259.20541	5.9
272.07510	1.5
277.21616	100.0
309.24216	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	309.2421
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
52.29578	1.1
53.03941	1.8
55.01889	2.3
55.05518	13.9
57.07082	2.7
57.47470	1.0
67.05514	29.0
68.68260	1.2
69.07066	29.1
71.05026	1.2
71.08623	2.0
76.27919	1.5
79.05490	22.4
79.30358	1.4
79.66364	1.3
81.03420	26.5
81.07058	33.5
83.04994	9.8
83.08627	14.4
84.04132	1.4
85.10178	1.9
89.23479	1.1
91.05474	12.0
93.07048	30.3
95.04964	28.1
95.08607	15.1
97.06546	2.4
97.10168	11.9
99.08111	1.5
105.07031	15.9
107.08595	25.3
109.06521	6.4
109.10155	13.1
111.08119	1.9
117.07014	2.6
119.08589	8.7
121.10166	7.8
123.08011	1.5
123.11716	5.2
125.09647	13.8
129.07083	1.6
131.08527	1.8
133.10135	14.5
135.08061	2.2
135.11732	5.7
145.10167	1.5
147.11694	7.9
149.13248	5.5
151.11160	29.0
153.09099	1.8
161.13293	11.2
163.14771	1.7
165.12743	5.3
171.10345	1.4
171.11670	2.9
173.13246	1.6
177.05513	1.7
179.14388	2.4
187.82614	1.3
203.12755	13.8
221.15141	1.5
231.21111	2.8
241.19560	6.7
249.22047	2.7
259.20557	1.7
277.21603	100.0
309.24252	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	309.2421
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
55.05512	7.7
57.03440	2.0
59.45033	2.0
67.05502	26.9
69.07063	11.1
71.08631	61.8
79.05495	26.2
81.03443	2.5
81.07063	38.0
83.04998	9.4
83.08625	10.6
91.05488	10.7
93.07043	50.2
95.04954	2.9
95.08601	32.7
97.06517	9.4
97.10170	2.9
99.08086	32.7
105.07040	12.7
107.08581	23.2
109.06516	2.0
109.10156	13.9
113.09621	3.2
117.07045	2.7
119.08578	13.6
120.71702	1.9
121.10156	21.2
129.07004	2.0
131.08546	2.8
133.10158	10.8
135.11670	27.1
137.09589	3.8
147.11710	3.5
149.13251	9.8
151.11137	26.0
153.12837	2.5
159.11685	2.9
161.13216	10.3
163.11171	3.6
179.14297	100.0
235.16812	4.5
259.20520	4.4
277.21597	90.8
309.24246	12.5
334.73178	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	309.2422
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
55.01878	4.7
55.05513	34.6
57.03446	5.7
57.07084	6.1
58.31430	2.8
62.72017	2.6
67.05508	54.1
69.03407	3.4
69.07066	37.2
71.04955	2.9
71.08629	38.6
79.05502	46.0
81.06623	3.9
81.07063	80.6
83.04980	16.2
83.08639	24.3
85.06560	4.6
86.90798	2.7
91.05478	22.3
93.07036	64.5
95.04964	28.6
95.08609	50.0
96.89574	3.1
97.06533	11.9
97.10178	12.4
99.08077	22.4
105.07039	27.0
107.08588	38.4
109.06516	6.2
109.10162	19.6
111.08113	10.7
117.06987	3.2
119.08585	23.5
121.06454	3.5
121.10139	26.3
123.11707	4.1
125.09612	6.8
129.06984	5.5
131.08554	5.5
133.10149	29.1
135.11705	25.6
137.09647	3.3
139.11165	16.4
145.10124	13.1
147.11688	25.9
149.13240	15.1
150.16632	3.0
151.11180	15.7
153.09087	3.1
157.10139	4.6
159.11693	6.5
160.81654	3.2
161.13231	12.9
163.11169	14.5
165.12756	6.0
171.11757	6.7
175.11189	4.8
175.14812	4.0
177.12683	3.3
179.14268	4.8
180.11566	3.0
185.13300	4.2
193.12234	6.2
215.17934	4.2
217.19504	4.2
231.21097	4.1
240.58012	3.2
241.19382	4.7
259.20605	11.6
277.21613	100.0
291.23056	14.6
309.24240	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	309.242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.1
55.05520	25.1
57.03443	4.4
57.07086	6.1
59.80866	3.0
67.05212	4.2
67.05509	53.6
69.07072	31.4
71.08639	50.2
76.64342	2.9
79.05509	31.4
81.07065	64.7
83.04982	7.7
83.08624	23.4
85.10173	3.5
91.05471	23.9
93.07050	59.3
95.04917	11.8
95.08601	43.4
96.08968	4.6
97.06508	18.0
97.10159	18.0
99.08089	40.0
100.62704	3.5
105.07027	19.8
107.04953	4.6
107.08608	38.1
109.06513	5.0
109.10172	23.9
110.10472	3.9
111.08076	4.2
119.08578	23.2
121.10157	27.9
123.08106	4.2
123.11713	8.4
125.09657	15.3
131.08563	6.5
133.10120	17.8
135.11697	15.1
139.11195	7.6
145.10077	5.6
147.11737	15.1
149.13271	7.9
151.11160	27.9
161.13248	31.5
163.11171	18.0
165.12535	3.8
171.11684	5.4
175.14827	5.1
179.14336	8.4
186.23039	3.3
187.53076	3.7
203.12791	6.0
241.19469	4.8
259.20578	24.0
277.18887	6.5
277.21619	100.0
291.23123	18.5
292.27084	5.6
309.24197	60.8
309.29776	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	309.2421
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
55.01867	5.3
55.05515	25.1
67.05505	43.6
69.07076	22.6
71.08635	67.8
73.35879	2.6
79.05488	32.3
81.03414	7.1
81.07072	37.9
83.04990	26.3
83.08614	21.5
85.06573	4.2
91.05458	24.0
92.35032	3.1
93.07046	44.1
95.04964	21.9
95.08601	25.4
97.06528	6.6
97.10160	21.5
99.08096	48.2
105.07040	15.8
107.04981	3.8
107.08597	34.0
109.06505	4.1
109.10156	24.6
111.08061	5.6
119.08567	15.4
121.10129	21.4
123.08057	4.7
125.09602	15.6
127.89588	3.1
131.08568	6.7
133.10135	16.0
135.11664	17.8
139.07562	6.4
145.10103	14.8
147.11664	14.4
151.11166	35.9
156.34305	3.2
157.10114	3.8
161.13293	18.5
163.11197	17.4
171.11621	3.7
173.13254	4.2
175.11238	3.1
177.12737	3.1
179.14284	13.0
185.13246	4.7
193.12265	12.0
203.12830	15.9
225.18579	4.0
241.19337	4.5
249.22325	4.3
259.20554	21.5
273.18301	4.9
277.21606	100.0
291.19559	22.8
291.22760	5.0
309.20651	11.0
309.24219	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	309.2422
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
50.77775	1.2
51.34383	1.2
52.35962	1.2
53.00325	1.5
55.01877	7.3
55.05519	19.0
57.07076	8.6
67.05508	43.8
68.96140	1.3
69.06822	1.2
69.07069	19.3
71.04997	2.5
71.08633	47.6
71.26479	1.6
79.05497	27.7
81.03408	9.9
81.07056	39.9
83.04966	8.6
83.08636	14.3
85.06532	2.9
85.10159	11.5
91.05476	17.4
93.07036	35.2
95.04968	13.6
95.08614	25.1
97.06541	9.0
97.10151	19.2
99.08092	27.3
105.07030	15.3
107.04935	2.4
107.07929	2.1
107.08594	35.0
109.06513	3.5
109.10153	19.4
111.08057	10.0
113.09627	9.3
117.06982	3.8
119.08563	13.3
121.10137	16.8
123.08065	10.3
123.11687	6.1
125.09637	17.8
131.08580	2.4
133.10115	13.2
135.08026	4.1
135.11694	15.7
137.09596	3.5
139.11153	2.0
143.08511	2.6
145.10106	8.8
146.00996	1.7
147.11719	13.4
147.72995	1.6
149.09706	2.2
149.13258	9.7
151.11151	31.0
153.09099	1.6
153.12767	1.8
157.10123	3.3
159.11591	1.7
161.13228	16.2
163.11169	10.9
163.14783	2.2
165.12733	14.6
167.14243	1.8
171.11659	4.0
175.14818	6.6
176.90845	1.6
177.05463	7.4
177.12759	2.3
179.14293	9.6
185.13216	6.3
199.14742	2.0
203.12787	12.5
207.13849	1.8
225.18440	2.6
235.16805	2.2
241.19414	9.1
249.22070	3.2
259.20517	12.7
277.21619	100.0
291.23181	10.2
309.24304	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	309.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	7.7
55.05517	33.2
56.33357	3.0
57.07074	13.8
63.52288	3.0
63.89366	2.8
67.05511	81.3
69.03417	4.9
69.07077	42.2
71.08640	64.9
76.30732	2.7
76.53736	2.6
79.05502	38.7
79.05894	4.3
81.03400	5.6
81.07066	73.7
83.04987	13.6
83.08624	34.7
85.06551	4.8
91.05476	21.4
93.07050	64.0
95.04960	15.3
95.08614	44.6
97.06522	7.9
97.10156	40.7
99.08099	49.9
105.07059	25.8
107.04951	3.5
107.08595	53.5
109.06534	11.9
109.10151	63.5
111.08085	5.8
117.07009	5.9
119.08566	25.0
121.10162	30.4
123.08045	6.1
123.11723	5.0
125.09669	26.6
131.08633	4.4
133.10120	39.2
135.08057	4.6
135.11674	27.7
137.09663	3.4
137.13269	3.7
139.07538	3.5
143.08633	3.8
145.10114	18.2
147.11693	19.4
149.13258	18.9
151.10086	4.3
151.11206	51.3
153.09070	5.5
153.12729	3.3
159.11659	4.5
161.13301	29.3
163.11200	13.8
165.12750	5.8
175.14838	7.0
179.14267	12.7
187.26587	3.1
189.12695	6.6
193.15868	4.1
203.12767	16.8
204.46030	3.5
241.19524	7.7
259.20517	14.4
273.18381	7.6
277.21652	100.0
291.19415	18.1
291.23105	17.0
292.27295	4.7
309.20804	6.3
309.24283	26.7
309.29712	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	309.2421
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
51.13858	1.5
51.64210	1.6
55.01874	5.0
55.05516	18.9
57.03452	2.8
57.07086	2.1
62.18975	2.0
67.05515	58.4
69.03460	2.7
69.07074	23.1
71.04992	3.9
71.08278	2.8
71.08636	52.9
75.44314	1.8
77.70253	1.9
79.05498	31.3
80.85192	1.8
81.03425	14.9
81.07059	43.2
83.04974	4.3
83.08623	21.0
85.06575	2.3
88.34533	2.0
91.05482	11.8
93.07053	40.5
95.04956	16.5
95.08599	22.8
97.06561	10.8
97.10176	24.9
98.12447	1.9
99.08092	28.3
105.07060	17.3
107.04987	2.1
107.08604	38.9
109.10162	26.1
111.08071	5.0
117.07020	3.9
119.08566	13.3
120.85866	2.2
121.10126	17.9
123.08085	2.8
123.11749	3.7
125.09621	19.9
129.07010	2.3
133.10139	15.4
135.08006	3.6
135.11661	18.9
137.09598	2.7
145.10156	5.0
147.11679	18.1
149.13263	8.4
151.11171	32.5
153.09053	2.4
161.13258	13.9
163.11188	13.0
163.14763	2.4
165.12679	3.4
171.11757	4.4
175.14789	4.2
177.12727	2.6
179.14307	9.2
183.24919	2.1
203.12781	13.1
223.43602	1.9
235.17130	2.1
241.19458	9.9
259.20642	16.5
277.21631	100.0
291.23145	11.9
309.24213	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	309.2423
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.00323	2.2
53.48998	2.0
55.01880	5.8
55.05518	22.1
55.77646	2.2
57.07077	10.9
67.05506	51.3
69.03442	3.5
69.07072	25.1
71.05006	2.9
71.08636	58.4
79.05502	31.3
81.03437	10.5
81.07068	47.0
83.04990	10.3
83.08631	27.2
85.06552	3.3
85.10189	20.7
91.05466	28.0
93.07062	47.8
95.04972	17.8
95.08610	44.3
96.14566	2.8
97.02921	5.3
97.06532	10.9
97.10180	21.4
99.08102	52.1
101.65365	2.4
105.07050	23.5
107.04918	3.2
107.08605	38.4
107.63173	2.4
109.06525	5.3
109.10184	22.4
110.50068	2.4
111.08098	15.2
112.55540	2.7
113.09639	18.2
117.07016	3.3
119.08596	18.8
121.10159	21.8
123.08033	10.5
123.11743	5.8
125.09635	17.5
129.06987	3.5
131.08569	4.5
133.10152	17.4
135.11674	23.5
139.07550	3.5
143.08603	6.2
145.10133	13.6
147.11671	15.4
149.09639	5.1
149.13242	6.6
151.11200	33.6
153.12704	4.2
157.10083	3.7
161.13184	22.9
163.11201	16.4
165.12737	25.3
171.11676	9.9
175.11197	3.4
175.14798	4.8
177.05498	6.4
179.14302	3.4
180.13814	3.3
185.13248	4.5
193.15852	4.1
203.12756	18.7
224.63246	3.7
236.50644	2.8
241.19461	10.9
253.02248	2.8
259.20575	16.0
264.23175	3.5
277.21597	100.0
291.23288	5.7
292.22733	12.4
309.21246	4.6
309.24707	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	309.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14452	2.5
55.01881	5.8
55.05289	2.8
55.05516	24.3
56.59117	2.1
57.03446	4.2
57.07076	11.2
59.04969	2.2
67.05511	50.7
67.69245	2.3
69.07070	33.8
71.05010	3.1
71.08638	36.4
79.05492	34.2
81.03408	6.0
81.07063	60.4
83.04973	12.1
83.08620	16.1
85.06550	3.7
85.10176	14.8
91.05492	20.5
93.07040	45.9
95.04961	18.9
95.08617	51.0
97.06512	13.0
97.10167	14.6
99.08089	21.5
105.07028	14.3
107.08584	32.1
109.06535	11.1
109.10135	21.8
111.08059	4.1
113.09646	5.1
119.08550	22.7
121.10136	26.1
123.08105	3.1
123.11742	4.3
125.09622	10.7
129.66722	2.8
131.08557	5.4
133.10115	23.0
134.10504	2.5
135.11682	17.0
137.05968	11.0
137.09596	10.6
139.11191	5.9
145.10107	8.8
147.11703	12.8
149.09637	3.3
149.13234	5.0
151.11153	21.1
161.13254	15.3
163.11166	9.9
165.12787	18.6
171.11681	9.6
173.13322	2.9
175.14775	2.9
179.14368	4.8
181.56924	2.8
185.13214	3.5
203.12798	14.7
217.14343	2.8
221.15375	4.3
241.19586	4.1
259.20569	11.5
274.26028	3.9
277.18372	4.6
277.21603	100.0
291.23123	5.8
292.26996	3.6
308.29507	3.2
309.24191	94.6
309.29709	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	309.298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	31.2
56.05847	3.7
57.07078	18.1
67.05508	40.2
68.05836	11.7
69.07072	60.0
70.07393	16.6
71.08627	12.0
73.17336	2.7
79.05485	13.9
81.07064	68.2
82.07384	26.2
83.08620	48.1
84.08140	3.2
84.08948	18.3
85.06570	4.8
86.06076	3.9
89.98339	3.2
91.05480	11.7
92.05813	3.0
93.07028	16.9
94.07375	4.6
95.08605	68.8
96.08936	39.9
97.06514	3.6
97.10174	26.3
98.10493	12.4
99.08111	3.6
100.07579	4.7
105.07036	5.3
106.07385	3.8
107.08611	19.3
108.08927	6.2
109.10153	48.0
110.10506	19.0
111.11710	6.2
112.08473	4.9
114.09142	13.0
119.08579	16.2
120.08925	5.9
121.10127	13.3
122.10435	5.7
123.11703	14.7
124.12025	12.6
125.09660	3.6
126.85887	3.0
128.10707	5.6
128.34036	2.8
132.76398	3.2
133.10123	12.9
134.10469	7.5
135.11700	11.8
136.64705	3.3
137.09605	3.4
143.93245	2.7
147.11694	3.8
148.11984	3.9
149.13243	3.6
154.54228	3.2
161.13266	5.0
162.13586	4.0
176.15096	4.3
197.23271	3.3
203.04713	3.1
247.98495	3.0
274.26178	36.2
277.21603	15.7
292.27127	64.8
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
55.05519	42.6
56.05854	8.6
57.07077	34.4
67.05517	41.8
67.97249	5.2
69.07080	86.6
70.07409	9.4
71.08637	13.8
79.05504	7.3
81.07058	93.9
82.07401	31.7
83.08627	77.6
84.08958	22.1
91.38721	5.3
93.07042	22.0
95.08613	84.5
96.08929	35.7
97.06551	22.3
97.10180	49.6
98.10505	21.5
100.07639	10.6
100.89223	5.7
105.07018	7.5
107.08581	9.2
109.10184	43.9
110.10492	29.1
111.08089	6.3
111.11710	7.8
119.08583	8.9
121.10162	12.1
123.11752	12.4
124.12080	6.6
133.10153	9.0
134.10501	6.2
135.11659	7.6
138.09981	6.1
138.13635	6.4
147.11702	10.2
179.17995	5.6
202.10686	5.9
236.28671	5.4
257.33694	5.7
274.26147	41.5
292.27179	94.6
309.29883	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	310.1395
Annotation	H-TYR-GLN-OH
Peak:m/z	Relative Intensity
60.04300	0.5
60.04533	9.2
69.86639	0.6
69.96388	0.6
70.06587	3.0
79.05496	1.0
83.06099	0.7
84.05630	17.2
84.08150	3.7
85.02893	0.8
88.23979	0.6
89.12360	0.6
91.05511	0.7
95.06084	0.7
98.07179	4.1
102.05527	0.6
103.05469	11.8
104.26763	0.7
107.04983	7.5
110.07187	1.0
113.05989	0.9
117.06625	5.8
120.08102	33.4
125.05796	0.8
126.06642	15.4
131.04935	13.6
136.07593	1.4
145.06059	4.8
147.04416	3.7
148.04756	4.0
148.11247	1.3
149.05963	1.1
162.09135	3.0
166.08624	26.0
166.77310	0.7
177.10265	3.7
186.10336	4.8
200.11852	5.0
203.76460	0.7
207.15082	0.7
208.10828	1.0
213.12263	1.0
214.09872	1.1
222.11209	6.7
223.10759	5.7
228.11362	3.3
232.10809	72.9
244.17270	0.7
246.12392	16.1
262.11929	1.2
274.11844	66.1
292.12909	13.2
310.13989	100.0
310.17288	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	310.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.8
57.03435	1.4
57.07067	4.2
60.04524	0.7
61.02918	2.6
69.03428	4.9
69.07072	3.1
70.02953	3.8
70.06596	2.8
71.05000	0.6
73.02925	1.4
74.02445	7.3
81.03427	1.2
83.67106	0.6
84.08152	3.3
85.02905	30.1
86.09715	4.0
87.04475	0.7
88.04003	1.0
91.03938	1.0
94.88660	0.6
97.02876	5.4
99.04442	0.7
101.65056	0.5
102.09180	100.0
102.17854	0.5
109.02900	3.4
111.53696	0.5
127.03928	6.5
136.07603	0.8
145.04951	3.2
147.04388	1.1
148.04692	0.9
148.09683	57.6
186.09993	0.5
190.08424	0.7
202.10701	1.4
247.01750	0.6
274.12967	0.8
275.13367	0.6
287.50714	0.7
292.13998	5.3
310.15131	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	310.1758
Annotation	Isopropalin
Peak:m/z	Relative Intensity
56.05041	6.4
60.28174	0.9
67.05516	1.1
67.52604	0.8
70.06597	3.9
72.04541	1.2
72.08138	0.8
73.22380	1.0
74.06075	4.1
76.05133	2.0
81.03429	1.5
83.06108	14.0
84.04516	9.5
84.08146	100.0
86.09720	1.4
91.05457	1.0
99.04556	1.0
101.07150	2.5
101.10779	2.0
107.04959	1.2
109.02916	1.6
110.07159	4.1
116.08208	3.9
119.04954	1.4
123.04417	1.5
129.10242	18.4
130.04979	4.6
130.08659	11.9
134.66368	1.1
136.06064	1.5
136.06395	1.2
136.07587	39.0
147.07648	2.0
147.09164	1.5
147.11337	7.1
151.09909	1.0
160.07222	1.1
165.05467	7.8
171.08517	1.5
181.06908	1.1
182.08138	5.3
213.12250	1.2
237.64610	1.0
246.12192	1.1
247.10667	4.5
256.09937	1.3
292.12933	12.4
293.11295	8.6
293.14713	2.1
310.14099	6.6
310.17657	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	310.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65673	0.5
61.34666	0.5
67.05499	0.7
69.07043	0.7
70.06603	0.8
76.05114	1.4
79.05494	2.3
82.06596	1.3
84.08136	2.5
86.06055	2.7
86.09702	1.1
87.04470	18.3
91.05513	0.7
92.92137	0.6
93.07028	2.4
94.06522	1.0
95.08618	0.8
97.02870	0.7
102.05523	0.8
117.20120	0.6
120.08068	0.7
121.06475	0.7
136.07570	0.7
141.43716	0.5
147.04347	0.6
150.09033	0.7
161.13127	0.6
168.10225	2.6
177.09840	0.9
178.05899	0.9
189.12727	0.7
206.15408	13.9
222.14851	0.9
224.16451	18.3
235.10744	3.5
249.17172	0.8
274.17911	0.8
292.19342	0.7
310.17319	3.8
310.20120	100.0
318.74191	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38724	0.3
52.90865	0.3
52.97936	0.3
55.01824	0.4
56.05048	1.5
67.05510	0.7
69.03429	0.3
69.07096	0.4
70.06594	1.9
71.72749	0.4
72.08166	0.9
79.05490	0.9
80.05019	0.7
81.01926	0.5
81.07051	0.9
82.06589	2.0
83.01813	0.4
83.21972	0.3
84.04499	0.6
84.08147	2.0
86.06082	3.3
86.09709	2.5
86.48046	0.4
87.04477	15.3
88.58057	0.4
91.05474	0.7
93.07037	0.8
95.08614	0.8
96.08160	0.6
98.06044	0.9
102.05576	0.7
107.08625	0.4
108.08112	0.4
119.08530	0.6
120.08115	1.8
124.07638	0.4
129.10204	0.4
129.95645	0.4
133.77481	0.4
134.06067	0.4
136.07600	0.8
147.11642	0.7
150.09164	1.5
168.10216	2.5
178.05872	0.6
189.12753	0.9
194.60316	0.4
197.09050	1.8
203.08247	0.7
204.13852	0.6
206.15413	16.0
222.14900	1.5
224.16449	18.3
235.10773	3.9
274.18042	1.6
310.17368	4.6
310.20160	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	310.209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64687	2.0
54.19254	1.7
55.01871	2.1
55.05511	10.9
57.03433	11.2
57.07076	10.1
67.05504	21.2
69.07075	10.3
69.32886	2.3
71.04989	9.5
71.08637	2.5
74.25967	1.9
79.05494	15.6
79.35149	2.0
80.05811	3.8
81.07058	25.8
82.07372	2.5
83.04967	4.5
83.08617	8.7
85.06524	17.3
86.06873	2.4
91.05492	18.6
92.05830	3.6
93.07046	25.7
94.07390	10.1
95.04964	9.2
95.08598	22.0
96.08938	4.4
97.06524	3.8
97.10159	2.7
105.07079	16.9
106.07366	4.4
107.08591	22.2
108.08939	4.7
109.06523	10.6
109.10165	15.0
110.10458	4.1
111.08073	4.8
113.09594	3.5
117.07015	2.9
119.08553	16.9
120.08874	11.0
121.06479	4.7
121.10117	18.3
122.10501	4.1
123.08073	11.1
125.09639	3.4
127.11178	33.0
131.08566	11.2
132.08910	5.5
133.10121	14.0
134.10461	9.2
135.08040	3.7
135.11661	3.5
136.12054	2.5
137.09593	5.4
139.07541	4.1
141.58714	2.2
144.08968	2.5
145.10132	11.5
146.10529	3.0
147.11673	8.6
148.08339	4.6
148.11977	2.5
149.09613	10.0
150.09930	3.7
155.10652	4.5
159.11722	4.1
161.09627	3.8
162.09831	3.4
163.11153	5.5
173.13275	3.7
174.13583	4.5
175.11194	11.5
186.13589	2.6
190.16756	2.8
218.16174	10.2
220.14174	4.4
222.15646	9.6
244.88171	2.5
264.20532	3.6
274.18860	21.5
275.20087	25.9
280.85416	2.6
292.19830	100.0
292.22775	28.2
292.28781	2.8
293.21057	26.7
310.20874	13.6
310.24008	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	310.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.5
55.05515	14.3
57.03443	19.9
57.07070	4.3
67.05511	48.0
69.03436	8.6
69.07071	17.6
70.07405	2.3
71.04991	5.3
73.06568	2.6
79.05491	17.4
81.03445	4.3
81.07063	46.6
82.07384	4.6
83.05019	8.1
83.08616	12.4
85.06539	11.9
91.05486	22.3
93.07040	31.9
94.07370	4.6
95.04957	12.6
95.08608	66.5
96.08952	4.7
97.06532	14.6
97.10164	9.6
98.85731	2.5
99.08090	14.3
105.07050	17.0
107.04933	3.6
107.08604	24.4
108.08923	2.9
109.06492	9.2
109.10156	100.0
110.10466	3.8
111.08072	4.6
113.09672	5.3
117.06977	3.4
119.08576	25.6
121.06486	3.3
121.10149	23.3
122.10464	3.9
123.08081	12.5
123.11697	8.7
125.09615	13.6
127.07659	2.6
131.08537	10.9
133.10136	35.3
135.08000	5.2
135.11690	12.0
137.09595	19.1
145.10126	12.1
147.11707	10.6
149.09616	5.7
149.13280	3.0
151.11192	9.7
159.11668	12.3
163.11182	4.5
168.13907	4.2
169.10123	2.5
173.11839	3.2
173.13272	10.0
174.13457	2.7
175.11151	4.5
177.12814	3.4
179.10733	2.7
184.13477	2.4
185.13234	2.8
191.14331	2.5
201.16521	4.2
219.17534	3.3
229.19412	2.9
236.20082	2.9
257.18924	9.1
274.18951	3.2
274.21646	12.5
275.20026	52.4
292.19791	12.2
292.22699	36.8
293.21106	34.9
310.11346	2.4
310.16232	6.6
310.20380	3.1
310.23648	28.7
310.27902	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	310.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
55.05503	1.3
57.07114	0.6
58.27554	0.5
64.16709	0.6
67.05504	1.6
68.05025	1.3
69.07068	0.6
71.08628	1.3
79.05483	1.3
80.05035	9.8
81.07066	1.3
82.06564	0.8
83.08641	1.2
93.07042	0.9
94.06557	1.0
95.08613	1.0
97.06509	0.8
97.10197	1.6
99.08112	0.6
100.11240	0.7
107.08611	1.1
109.10158	1.4
109.92083	0.7
121.10264	0.7
125.42891	0.7
161.29633	0.6
174.12834	1.6
178.76178	0.7
192.13820	7.9
194.15388	3.9
210.14923	2.5
222.14786	0.8
264.19504	0.8
264.23239	6.2
274.21732	3.3
275.20190	1.1
283.87338	0.8
292.22702	77.9
293.21222	3.3
310.23767	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05408	1.3
55.05518	3.3
57.07082	20.9
65.27863	1.4
67.05516	16.9
69.07059	7.6
69.36833	1.3
71.04974	2.7
79.05503	6.5
81.03365	1.3
81.07057	21.5
83.04976	3.4
83.08624	3.0
85.02910	6.1
85.06550	21.3
91.05492	8.4
93.07046	8.9
95.04976	8.4
95.08614	22.6
97.06540	2.9
99.08094	1.7
105.07048	11.0
107.08591	11.7
109.10156	22.6
113.09667	3.3
119.08551	6.2
121.10160	5.5
123.08085	8.1
123.11694	2.0
125.09632	6.7
127.11106	1.4
131.08586	8.3
133.10155	15.6
135.08054	2.2
135.11707	2.4
137.09619	80.6
139.11192	1.5
139.66386	1.4
141.09108	28.2
145.10147	1.9
147.11694	3.2
149.09607	2.0
151.11194	9.0
157.10197	1.6
159.11707	2.0
163.11142	8.1
165.12808	1.8
168.13826	1.6
169.12244	2.3
173.13246	8.0
175.11183	5.5
175.59955	1.5
176.47260	1.4
177.12769	2.3
191.14346	9.6
208.16977	2.9
229.19601	1.7
239.17935	2.2
247.20619	2.4
257.18927	6.7
274.21677	1.9
275.20053	42.0
292.22708	100.0
293.21124	28.7
310.23639	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	310.3102
Annotation	Oleoyl Ethyl Amide
Peak:m/z	Relative Intensity
54.90660	0.2
57.07066	1.2
68.68804	0.3
69.07056	1.4
71.08633	0.7
72.07804	0.5
72.08160	8.8
83.08627	0.7
85.10165	0.4
85.52213	0.3
95.08606	0.5
97.10180	0.5
120.17642	0.3
128.10696	0.4
142.12273	0.8
159.87233	0.3
274.91412	0.3
310.31027	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	310.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00346	1.2
55.05512	13.0
57.07082	20.6
67.05501	7.6
69.07076	26.0
71.05012	1.1
71.08638	13.2
72.04493	1.2
72.08167	2.7
73.17373	1.1
76.46236	1.1
78.26662	1.0
79.05488	2.4
81.07066	12.0
83.08630	28.4
85.10183	6.9
86.06068	6.3
93.07040	5.7
95.08614	13.7
97.06513	4.8
97.10178	21.6
100.07633	8.2
107.08608	6.5
109.10138	7.1
111.08070	7.6
111.11751	7.9
114.09184	7.6
121.10166	11.2
123.11702	2.2
125.09637	5.0
128.10719	2.4
135.11716	7.2
139.11134	2.1
142.12257	1.7
149.13243	7.4
153.12741	1.3
156.13853	1.6
163.14833	2.8
167.69740	1.2
207.14085	1.2
275.27341	13.2
293.28436	17.5
310.31033	100.0
315.36423	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	310.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
55.05517	15.5
57.03444	1.7
57.06833	1.1
57.07087	24.2
57.61202	0.8
63.32032	0.9
63.68791	0.8
65.22547	0.8
67.05507	8.3
69.06702	1.4
69.07072	39.6
71.04980	1.0
71.08636	18.5
72.04530	1.3
72.08165	1.8
79.05486	4.0
81.07063	17.9
83.04999	1.7
83.08628	39.9
84.66908	0.9
85.10190	7.0
86.06070	5.6
88.07620	0.9
91.05519	0.8
93.07036	7.8
94.03455	0.9
95.08611	16.7
97.06531	6.5
97.10172	26.3
100.07625	12.5
107.08591	10.0
107.65266	1.0
109.10156	9.7
110.71151	1.0
111.08084	8.7
111.11723	9.3
114.09169	8.5
121.10143	12.7
123.11694	5.4
125.09618	5.6
125.13237	1.6
128.10719	5.5
135.11702	11.8
137.13252	1.6
139.11174	4.0
142.12289	1.9
149.13283	6.2
150.00378	1.1
153.12802	1.3
163.14809	2.2
177.16415	2.0
191.17880	1.0
254.24879	1.1
268.29916	1.8
275.27380	10.3
293.21228	1.9
293.28366	18.6
310.31027	100.0
311.73636	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	310.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48594	1.0
55.05519	15.4
57.03428	1.0
57.07083	25.8
67.05505	11.0
69.07073	39.9
71.04990	1.2
71.08622	16.4
72.08157	4.5
73.58870	0.9
76.73700	0.9
79.05513	7.2
81.07061	18.3
83.04949	1.5
83.08624	39.0
85.10184	8.2
86.06071	4.9
88.12073	1.0
93.07040	9.2
95.08595	17.1
97.06533	11.6
97.09586	1.8
97.10170	32.9
99.08110	1.2
100.07620	9.8
107.08603	12.9
109.09476	1.6
109.10124	11.1
111.08080	10.3
111.11707	11.2
114.09174	9.6
121.10149	11.9
123.11685	2.3
125.09621	6.3
125.13279	1.8
128.10710	6.1
135.11716	12.9
139.11151	3.6
142.12286	1.6
149.13217	8.3
156.13821	1.0
163.14777	4.5
170.15430	1.5
177.16417	1.9
184.16940	1.8
189.59126	1.1
195.17407	1.7
198.18570	1.8
254.25252	1.0
275.19800	1.0
275.27365	11.2
278.21271	1.3
292.22913	1.2
293.21158	4.1
293.28357	17.8
301.62677	1.0
310.23547	4.1
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	311.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.6
55.05528	7.8
74.00669	35.7
80.02240	1.1
81.07057	6.8
83.08625	22.5
84.04517	5.5
84.96027	1.0
85.03575	1.5
85.04015	11.1
87.02699	9.3
92.01703	9.7
92.21490	1.1
94.04155	1.1
99.08087	2.4
105.07032	2.5
109.06504	6.4
112.03976	5.1
113.03494	7.0
121.01395	1.4
129.07079	1.2
130.05008	35.3
131.04514	22.0
133.02797	1.2
133.06467	5.1
137.05980	75.9
137.99963	1.1
149.05986	6.5
155.04916	6.4
159.08040	6.9
160.00653	1.6
161.05965	7.8
165.04030	84.0
175.07439	2.2
177.03288	57.4
187.07530	19.6
190.07790	4.7
191.08551	26.3
208.08430	7.2
218.07246	5.5
219.08040	50.9
220.08797	4.8
233.09470	1.1
236.08253	10.4
247.07530	23.4
251.10646	77.4
253.08556	2.6
261.09262	2.2
263.88351	1.0
264.07788	11.1
265.08597	2.2
267.10178	1.5
279.07755	1.0
279.10141	63.2
280.10925	5.2
281.08115	11.7
296.10477	15.1
311.13046	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69200	1.0
60.80594	1.2
81.07054	1.6
84.25357	1.3
105.07026	4.6
107.04967	6.9
109.06522	2.9
113.60101	1.3
121.06377	1.1
121.16124	1.2
122.03683	1.5
131.04881	2.1
133.06494	2.6
137.05983	69.9
141.53159	1.4
148.06316	1.2
149.05984	5.0
151.07420	1.3
155.04913	5.4
159.08038	5.5
161.05957	9.6
175.07576	1.5
181.66853	1.2
184.92398	1.4
187.07552	24.0
188.08559	1.3
190.07767	2.5
191.08553	19.4
204.58708	1.2
208.08844	1.7
218.07280	4.8
219.08044	46.6
220.08835	6.3
233.09724	2.1
235.07474	1.9
236.08440	11.2
247.07529	20.3
249.09196	1.6
251.10654	80.6
253.08672	1.4
264.07913	10.2
265.08563	1.6
268.10733	2.0
278.09280	1.4
279.10175	58.4
280.10953	2.4
281.08060	11.9
296.10291	13.0
311.12781	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	311.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60221	1.1
55.01883	2.1
55.05524	2.0
74.00667	17.7
79.05530	1.2
81.07086	1.8
83.08653	6.8
84.04512	3.2
85.04044	6.6
87.02708	6.3
92.01739	5.5
99.08096	2.1
103.87962	1.4
105.07050	5.8
109.06554	2.4
110.60431	1.5
112.04012	6.6
113.03526	2.7
122.03645	1.8
129.07057	1.4
130.05025	17.4
131.04457	10.7
133.06531	5.7
137.05981	74.7
144.05763	1.5
149.06035	2.9
155.04985	7.7
159.08104	5.2
161.05949	9.4
165.04036	42.4
165.05363	1.9
172.05290	1.6
175.07645	1.7
177.03282	28.9
187.07523	22.8
190.07729	1.7
191.08565	25.9
191.09966	1.4
208.08345	4.9
218.07347	2.9
219.08047	55.2
220.08885	5.2
233.09731	1.6
235.07570	1.6
236.08307	11.3
247.07550	21.2
248.08514	1.6
251.10655	76.3
253.08803	1.5
264.07809	9.6
265.08783	1.6
268.11047	2.6
279.10147	57.1
280.11047	5.8
281.07953	10.6
296.10373	11.9
311.12912	100.0
314.08313	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	311.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76228	0.3
59.04995	0.7
60.05672	0.4
69.07076	0.5
72.08158	0.6
72.14764	0.4
79.05499	0.5
81.07064	0.8
84.08146	1.0
86.09714	2.3
89.06010	2.5
91.05484	0.7
92.66273	0.5
93.07043	0.4
95.08611	0.7
95.25744	0.4
103.78993	0.4
105.07034	2.7
107.04925	0.6
109.06548	3.0
109.07170	0.5
115.05477	0.7
120.08087	2.7
121.06481	0.9
122.03642	0.7
129.06998	1.0
129.10234	2.1
133.06479	3.1
133.08647	0.5
137.05986	42.9
149.05983	2.8
155.04958	4.1
157.99713	0.4
159.08066	4.0
161.05984	6.0
166.30481	0.4
172.05122	0.8
175.07541	2.3
187.07542	12.0
189.09088	0.8
190.07759	2.3
191.08553	15.9
205.06436	0.5
208.08827	1.7
218.07317	3.5
219.08046	31.1
220.08847	3.0
223.11269	0.5
233.09531	1.0
235.07617	0.9
236.08350	7.3
237.09035	0.9
239.07173	0.5
246.06767	0.7
247.07536	13.9
248.08388	0.6
251.10678	45.1
253.08618	1.0
261.09106	2.5
264.07822	8.3
265.08514	2.4
267.09918	0.6
268.10861	0.9
279.10150	40.8
280.10983	4.2
281.08090	7.2
283.09674	0.7
283.13336	0.8
293.11551	0.7
296.10449	14.5
311.12762	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1276
Annotation	7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
58.17985	0.5
67.93919	0.4
81.07066	0.9
91.05473	1.2
94.04180	0.9
98.07146	0.6
103.05470	0.7
105.07047	4.8
107.04940	1.0
109.06484	4.9
115.05386	0.4
120.79482	0.5
121.06494	1.1
122.03638	2.3
129.06993	4.2
131.04889	0.8
131.08540	0.5
133.06511	6.9
137.05978	84.5
142.13524	0.4
144.05713	1.0
145.06516	0.7
147.08127	0.5
149.05975	6.2
154.58839	0.5
155.04907	7.3
156.05626	0.7
159.08038	7.3
161.05983	11.1
167.07117	0.6
172.05177	1.2
175.07564	3.6
187.07538	25.5
189.07094	0.7
189.09059	0.6
190.07794	3.8
191.06821	1.1
191.08560	34.2
205.06525	1.7
207.08037	2.0
208.08797	4.6
218.07291	6.6
219.08035	65.0
220.08792	5.1
221.06038	0.6
223.11168	1.1
233.09549	2.2
235.07544	3.0
236.08319	10.4
237.09117	0.8
246.06720	2.0
247.07526	27.2
248.08366	3.8
249.05386	0.9
249.09090	0.8
250.09879	0.7
251.10646	84.8
253.08601	3.2
261.09128	4.2
262.70206	0.6
263.07019	1.0
264.07791	11.1
265.08606	3.2
267.10077	1.1
268.10880	2.8
278.09387	2.0
279.10135	60.8
280.10962	6.2
281.08054	13.4
283.09860	0.7
283.13211	1.1
295.09695	1.2
296.10339	17.2
296.13370	0.9
309.11407	1.1
311.12762	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	7.3
60.05659	24.0
60.90323	2.7
65.77129	2.6
66.64333	2.5
69.07061	2.9
70.06578	5.8
72.04523	3.8
72.08141	6.0
74.06071	12.8
76.05119	5.8
81.07044	3.2
81.99728	2.7
84.04498	3.9
84.08145	16.5
85.06598	2.9
91.30229	2.8
95.08614	3.2
96.05614	3.1
102.05553	3.6
105.03375	20.3
109.11049	2.7
110.07159	48.5
116.08247	10.0
118.03764	11.6
120.08121	13.3
123.08077	11.6
124.03741	20.4
129.10269	6.7
130.04945	2.8
133.06587	3.5
134.07126	2.6
136.07549	6.0
140.03134	3.3
150.06371	14.3
152.08224	20.7
155.11751	3.1
160.07201	2.9
162.10046	4.4
178.09503	25.4
180.07701	18.8
182.05322	3.8
190.08568	6.0
194.12836	3.9
210.03247	6.1
210.12140	67.1
220.09196	3.8
262.11670	5.3
263.05884	11.8
279.14255	100.0
311.07214	6.4
311.13144	5.4
311.16919	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	311.2213
Annotation	(9R,10E,12Z,15Z)-9-Hydroperoxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.32598	2.0
55.01889	3.4
55.05522	32.3
62.11307	1.8
67.05515	16.0
69.03419	2.9
69.07066	5.1
71.08631	11.9
72.11266	2.1
79.05486	14.2
81.03421	9.0
81.07083	20.7
82.47331	2.0
83.04974	8.7
83.08630	24.0
89.21106	2.0
91.05505	3.7
91.43293	2.2
93.07014	15.8
95.04977	27.5
95.08626	8.6
97.06561	3.1
97.10165	31.0
98.68481	2.3
99.08085	10.8
107.04947	2.2
107.08608	12.6
109.10155	2.5
111.04460	9.2
111.08073	3.1
119.08551	4.3
121.06573	2.7
125.09619	17.8
131.08578	2.7
133.10110	3.8
135.08043	2.7
135.11699	3.6
145.10132	5.1
147.11722	2.9
149.09639	9.1
153.09074	4.6
163.11136	24.5
175.11226	2.5
189.11227	10.5
193.12358	2.9
195.13759	3.4
206.18794	2.6
223.13287	8.9
247.20531	3.5
275.20044	13.8
293.21100	100.0
311.22235	23.4
324.63672	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	311.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	3.9
55.05515	18.6
57.03441	4.6
57.07072	3.9
65.81181	2.7
67.05515	62.2
69.07067	18.7
71.05006	3.5
71.08617	12.7
79.05500	47.3
81.03410	4.7
81.06618	5.3
81.07070	96.1
81.89125	2.6
83.05003	5.8
83.08623	19.1
85.02910	6.9
85.06531	2.8
85.10161	3.3
91.05494	20.4
93.07043	61.6
94.00379	3.0
95.04983	4.7
95.08609	100.0
97.06546	14.5
97.10169	12.6
99.08107	7.1
105.07037	23.4
107.08600	60.7
109.06484	4.0
109.10174	45.8
111.08080	12.9
113.09641	4.0
117.06996	7.1
119.08608	26.7
121.06548	3.3
121.10151	67.5
123.08039	12.4
123.11689	4.5
125.09655	3.8
131.08574	26.7
133.10118	29.1
135.11703	48.1
137.09561	5.9
141.09099	21.0
145.10126	32.9
147.11694	12.7
151.11208	4.9
159.10371	7.4
159.11700	16.4
161.13246	5.0
163.11159	7.0
163.14717	3.3
173.13234	14.0
177.12833	4.5
191.18031	4.4
195.13748	4.1
201.16399	52.8
219.17413	71.2
237.18423	3.5
257.18845	3.0
265.21494	20.3
275.20053	19.6
293.21094	91.7
293.24118	4.9
311.22284	52.2
311.25629	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	311.2214
Annotation	(9R,10E,12Z,15Z)-9-Hydroperoxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
55.01878	3.1
55.05514	10.9
57.03439	1.7
58.09051	1.9
58.22485	1.6
63.21630	1.8
67.05515	30.9
69.03407	2.6
69.07075	13.5
71.04990	2.1
79.00121	1.9
79.05496	18.0
81.07059	47.4
83.04980	2.8
83.08630	12.4
85.06517	1.9
91.05490	20.6
93.07050	32.6
95.04971	2.2
95.08608	33.0
97.06519	11.2
97.10175	7.5
99.08087	2.4
103.09155	2.0
105.07040	27.3
107.04954	1.8
107.08584	25.2
109.06506	9.2
109.10167	16.5
111.08083	3.2
117.07001	9.3
119.08585	28.1
121.06463	3.7
121.10146	21.3
123.08068	7.4
123.11697	4.7
124.72175	1.9
125.09630	4.2
131.08560	12.9
132.05226	2.2
133.10139	35.6
135.08046	3.4
135.11684	9.2
137.09709	2.4
145.10138	15.7
147.11705	17.3
149.09633	4.5
149.13268	4.1
151.11208	3.7
155.10600	2.2
157.10109	3.2
159.11638	11.6
161.13338	6.5
163.11201	4.6
165.12698	2.4
171.11691	2.7
173.13257	2.4
175.11143	2.3
177.12682	2.6
179.62769	2.0
195.13634	2.3
229.19528	3.3
235.16887	4.4
237.18422	2.3
239.17986	3.6
257.18961	8.1
261.11066	2.3
262.24158	2.1
275.20047	100.0
276.59961	2.2
283.83527	2.1
286.22324	2.2
293.21054	26.1
311.12601	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	311.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89531	1.7
54.30281	1.7
55.05523	4.5
57.06051	1.8
67.05502	9.7
69.07072	5.1
79.05486	13.7
81.07062	19.5
83.03228	2.2
83.08619	8.9
87.95597	2.2
91.05462	15.1
93.07035	25.4
95.08616	18.3
97.06527	3.3
105.07012	16.4
107.04979	2.6
107.08587	20.1
109.10149	5.4
111.04425	2.4
112.30352	1.9
115.10648	2.5
117.07013	5.3
119.08590	23.6
121.06479	3.2
121.10118	29.9
123.08089	4.2
125.09630	2.6
129.06944	3.0
131.08546	20.4
133.10139	32.3
135.08046	4.9
135.11664	12.8
137.05986	9.4
137.09602	4.8
143.08589	9.5
145.10106	15.4
145.18735	2.4
147.08054	18.2
147.11674	28.3
149.09613	18.3
149.13251	3.3
155.08676	2.8
157.10135	14.6
159.08047	2.5
159.11739	9.6
161.09589	27.0
161.13196	2.4
161.92696	2.5
163.11194	11.8
171.11703	9.8
175.11179	30.2
181.10133	8.5
185.13269	2.8
187.14751	2.9
193.12245	10.1
195.11678	4.8
199.11194	4.4
199.14781	20.0
203.17993	3.0
213.16322	29.8
219.08061	10.4
223.14761	16.4
231.17383	19.7
235.16864	8.6
241.15826	35.5
248.20055	9.2
251.10684	5.2
258.18500	20.2
259.16910	79.0
276.19556	64.4
277.17963	51.9
279.10135	9.2
280.67383	2.3
293.22256	3.3
294.20660	31.5
311.12726	14.8
311.23300	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	311.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46622	1.4
53.49226	1.3
54.13962	1.3
54.92936	1.3
55.05505	3.1
55.58199	1.3
57.03413	1.4
67.05511	24.2
69.07060	9.0
78.38168	1.5
79.05511	16.7
81.07065	36.5
83.08628	12.9
86.06097	3.0
91.05495	14.6
91.95258	1.6
93.07038	24.1
95.08611	34.4
97.06557	5.2
97.10167	3.4
99.08080	3.5
100.07606	3.3
105.07016	15.6
107.04943	2.4
107.08591	28.2
109.06451	2.2
109.10178	18.1
111.08088	3.2
117.07016	7.9
119.08579	25.4
121.06512	6.4
121.10151	50.6
123.08047	1.9
125.09567	3.1
129.06998	3.6
131.08548	23.7
133.10120	47.1
135.08047	8.9
135.11694	25.8
137.09665	2.7
143.08527	10.7
145.10132	18.3
146.71370	1.6
147.08043	8.8
147.11682	17.0
149.09613	10.4
149.13243	6.9
151.11177	4.1
157.10083	12.3
159.11659	10.8
161.09605	16.3
161.13231	2.6
163.11131	3.2
171.11639	12.3
173.09653	2.2
173.13277	2.7
175.11185	10.3
181.10132	2.0
185.13225	3.7
195.11723	3.6
197.13293	3.3
199.11140	2.2
199.14825	13.9
203.17824	3.5
213.16341	26.3
215.18001	9.7
219.08037	3.0
223.14842	13.8
230.18996	1.9
231.17435	22.1
233.18994	12.0
241.15828	19.6
248.20105	24.7
249.18533	2.0
250.21591	3.0
258.18488	11.2
259.16928	38.1
276.19577	33.6
277.17978	15.3
279.10294	2.4
286.53018	1.7
293.22604	4.1
294.20761	14.1
302.40555	1.8
311.12793	2.9
311.23334	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	311.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	31.9
56.83811	1.9
57.03450	14.9
57.07088	18.7
63.94395	2.0
64.73692	1.9
65.99992	1.7
67.05521	4.3
69.07081	44.8
70.54318	1.9
71.08647	13.2
75.66685	1.9
79.05536	2.3
81.07085	10.8
83.08631	38.9
84.41515	2.4
85.10188	3.8
93.07044	4.9
95.08615	4.8
97.10168	24.0
107.08626	4.1
109.10196	4.6
111.11723	4.7
120.99624	2.3
121.10171	4.7
123.71561	2.3
124.08257	2.0
125.09721	2.1
279.19580	3.6
311.25821	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	311.269
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00002	2.6
55.05527	3.6
57.07100	3.4
67.05517	37.6
69.07063	16.0
79.05486	20.5
81.07072	51.6
83.08607	14.8
91.05470	18.4
93.07041	40.2
95.08611	29.6
97.10167	6.2
105.07037	8.3
107.08578	32.8
109.10160	15.5
111.08095	3.3
119.08569	8.3
121.10140	76.0
125.09651	3.8
131.08594	4.8
133.10139	22.4
135.11723	40.3
137.09586	6.8
145.10161	6.4
147.11690	13.3
149.09668	3.6
149.13269	16.5
151.11198	13.7
159.11667	7.6
161.13257	12.9
163.11201	5.5
165.12714	4.2
173.13271	4.2
241.19698	4.9
242.41446	3.5
259.20621	8.6
276.20398	5.9
276.23117	6.5
277.21637	64.6
293.23212	12.3
294.21335	10.7
294.24307	100.0
311.23682	16.2
311.26926	47.1
316.27872	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	312.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44756	0.2
83.48836	0.3
108.26548	0.3
114.94845	0.3
116.41522	0.3
167.07179	0.3
185.75789	0.3
187.14587	0.3
210.05441	0.4
225.07774	2.5
238.05028	0.5
238.08522	0.6
240.10197	0.6
253.07327	6.5
257.06857	0.7
262.07605	0.3
268.09680	63.1
284.09296	2.0
312.08658	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	1.6
55.01876	2.4
57.03442	2.4
61.02923	6.3
69.03433	31.3
69.07088	2.6
70.06593	29.0
71.05001	5.3
72.08161	5.8
73.02923	10.1
75.72607	1.2
76.93779	1.3
78.55777	1.1
81.03422	18.3
84.04488	1.7
84.08154	6.0
85.02909	100.0
86.09697	1.7
86.55386	1.1
87.00835	45.6
92.21175	2.3
94.06571	1.4
97.02895	38.7
97.06538	2.4
99.04462	17.1
102.05628	1.4
105.01872	94.3
108.04536	2.0
109.02878	30.1
110.07188	2.6
112.05021	1.4
115.07558	7.1
116.07063	12.3
126.05457	1.6
127.03924	85.9
129.01846	2.5
132.08064	9.4
133.08607	1.8
134.09636	1.8
136.06204	6.4
136.07567	2.4
145.04961	30.2
147.02852	2.2
150.07771	31.8
159.02899	17.7
169.13365	2.9
197.12866	2.6
213.03975	1.8
213.12375	11.4
227.11394	5.8
231.04976	29.3
231.60396	1.5
249.06018	16.7
277.09158	4.9
279.11456	1.5
293.07928	1.5
312.06821	1.9
312.12531	11.2
312.16098	2.3
312.19781	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	312.13
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99016	0.2
51.85695	0.1
54.09431	0.1
69.03415	0.3
84.08120	0.2
84.16600	0.2
85.02884	0.9
98.97626	0.2
110.07182	0.4
112.05044	0.4
115.83875	0.2
121.06269	0.2
128.65678	0.2
150.07751	100.0
152.05675	0.7
160.03191	0.2
169.03717	0.2
175.11870	0.2
226.02509	0.2
312.13007	21.3
327.20834	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	312.1301
Annotation	N,N-Dimethylguanosine
Peak:m/z	Relative Intensity
50.06804	0.1
57.03433	0.3
58.80352	0.2
59.45892	0.1
62.34813	0.1
69.03430	0.3
70.06592	2.5
72.35016	0.2
84.08184	0.2
85.02892	0.3
87.04488	0.2
97.02843	0.2
109.07927	0.2
110.03521	0.8
112.38606	0.2
115.03941	0.2
116.07095	0.9
129.10268	0.2
133.04987	0.7
137.08211	0.2
162.07643	0.2
180.08797	100.0
197.12897	0.2
213.12352	1.4
312.12677	1.6
312.19327	0.7
330.25812	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	312.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59227	0.2
58.06604	7.5
70.06618	0.6
107.04944	3.5
112.49954	0.3
121.02854	17.0
130.69987	0.3
131.04962	1.3
132.50017	0.3
145.06534	1.3
147.08084	0.5
172.45805	0.3
209.09648	1.2
221.09682	0.4
224.08252	2.2
226.23300	0.3
235.07497	0.6
236.08400	3.5
237.09317	0.5
239.10637	13.2
252.07800	7.1
267.10135	100.0
269.11768	2.3
269.80750	0.3
281.11707	1.4
306.47443	0.3
312.15866	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	312.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06348	1.0
58.06612	11.6
60.73661	0.7
70.06599	0.9
75.04449	0.7
78.63268	0.8
87.04460	1.6
87.54151	1.0
100.73647	0.9
107.04967	2.0
107.72920	0.8
110.07165	1.4
121.02870	16.3
131.04913	0.9
145.06517	1.6
208.14490	3.7
224.08368	1.3
226.15462	1.5
235.07506	1.0
236.08385	3.3
239.10638	15.6
252.07861	6.6
267.10138	100.0
269.11749	1.6
276.16797	1.0
294.18011	4.9
312.08951	1.5
312.12927	1.9
312.15897	39.6
312.19168	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	312.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06318	1.0
58.06606	28.1
62.67728	0.5
70.24427	0.6
102.28550	0.5
104.79086	0.6
107.04955	33.5
115.05403	0.6
121.02808	0.8
137.05974	4.4
143.04936	4.7
145.06494	0.9
147.18355	0.5
150.09166	0.7
175.07581	2.7
175.09984	0.6
179.08394	0.6
190.08676	5.4
191.09357	4.5
205.10983	10.0
206.11797	0.8
207.08057	7.8
209.09615	0.9
235.07504	11.5
237.09169	1.3
239.10704	3.2
252.07774	7.7
267.10138	25.3
269.11771	3.1
279.12607	1.1
282.11337	1.2
296.12750	2.8
297.13593	9.8
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	312.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84496	0.4
50.88116	0.3
58.06607	24.1
64.56487	0.3
69.03415	0.4
73.02916	1.7
85.02904	0.8
98.17643	0.3
107.04955	29.3
114.25198	0.3
115.05451	0.7
118.80391	0.4
119.46768	0.3
121.02855	1.4
124.07645	0.4
133.04985	0.3
135.85391	0.4
137.05968	3.6
140.16608	0.3
143.04929	5.2
145.06476	2.3
150.07733	0.4
150.09084	0.4
150.12769	0.8
155.87950	0.4
158.09676	0.4
161.05995	0.3
162.09125	0.5
173.08328	0.6
175.07535	1.4
175.09961	0.7
186.09155	0.5
190.08601	5.9
191.09422	3.7
205.10974	11.4
206.11723	0.7
207.08052	8.8
209.09624	0.5
234.06656	0.7
235.07535	10.7
236.08582	0.4
237.09148	1.8
239.10583	2.4
252.07777	6.4
267.10141	25.7
269.11713	3.5
278.11771	1.9
279.12534	2.0
282.11224	0.5
284.33810	0.4
296.12753	2.0
297.13602	10.1
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	312.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14804	0.4
53.38205	0.5
56.17162	0.4
56.75862	0.4
58.06321	0.9
58.06609	24.2
60.11145	0.5
76.20518	0.5
107.04967	30.9
115.05515	0.6
121.02845	0.8
137.06012	3.7
143.04926	3.1
145.06482	2.1
147.07965	0.6
151.04588	0.5
162.09230	0.5
163.07486	0.5
166.31169	0.6
172.75703	0.5
175.07617	1.1
186.09143	0.8
190.08618	4.8
191.09418	2.5
205.10980	9.2
205.33025	0.5
206.11758	1.9
207.08060	8.2
235.07558	10.9
237.09140	2.2
239.10670	2.1
252.07802	8.4
267.10156	26.6
269.11633	2.2
278.11807	1.9
279.12604	1.0
296.12808	2.9
297.13620	9.6
312.15942	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	312.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06631	0.5
55.05506	0.9
60.04508	0.6
69.03418	1.0
69.07072	57.5
69.39523	0.5
70.06580	4.3
72.08150	2.6
73.02870	0.6
73.06558	28.1
74.06082	0.8
84.08146	2.7
85.02904	8.6
86.09701	1.5
94.31495	0.6
97.02876	2.5
97.06532	34.2
102.05538	0.6
104.15109	0.7
108.51443	0.6
110.07169	1.5
115.07568	100.0
116.07059	1.1
120.08074	1.3
127.03918	0.7
127.57040	0.6
129.10217	2.3
133.08606	27.8
175.11894	0.6
180.08716	1.0
180.11284	0.9
196.43512	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	312.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78624	1.5
51.72789	1.4
57.39705	1.3
60.05659	2.0
67.94027	1.7
68.42203	1.4
69.07062	29.5
70.06593	70.2
71.05476	1.5
72.08146	7.2
74.06069	2.6
84.08127	2.5
85.07691	6.0
97.96818	1.5
98.09692	30.9
110.07157	3.9
110.24979	2.0
112.08726	67.2
114.10287	7.7
115.07565	2.5
116.07069	2.9
116.08240	4.1
118.05035	3.4
123.09158	2.3
124.05065	3.6
124.07563	19.0
138.12769	3.2
140.11789	3.6
141.10211	17.5
153.13853	9.4
160.07166	9.8
166.09746	59.8
169.13373	6.9
180.14941	100.0
183.12405	4.2
197.12875	4.2
200.15131	2.2
220.08553	1.6
225.20709	3.9
234.16055	4.0
237.97362	1.8
251.18657	6.9
268.21310	33.0
312.20331	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	312.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76532	3.1
55.05512	22.6
55.41026	3.6
57.03447	4.4
57.07072	34.0
57.07319	3.3
63.22720	3.1
67.05511	38.6
69.07060	23.0
71.04987	4.2
71.08628	18.3
79.05482	40.5
81.03384	3.8
81.07066	51.3
83.05013	12.3
83.08621	19.5
85.06566	4.9
87.65730	3.9
91.05488	21.5
93.07050	46.9
95.04958	19.1
95.08595	39.2
97.06518	7.2
97.10155	15.3
99.08069	5.1
105.07034	15.7
107.08591	24.4
109.06488	5.0
109.10174	18.9
111.08020	5.6
119.08601	15.0
121.06519	3.9
121.10149	26.0
123.11705	5.6
125.09642	4.4
127.11186	9.4
133.10115	18.2
133.14395	3.6
135.11670	17.9
138.32301	3.9
139.11195	31.2
140.80002	4.2
144.06340	45.0
147.11676	9.2
149.13252	6.2
151.11217	16.4
155.98392	3.8
157.10103	6.2
159.11719	9.3
161.13257	6.8
163.11160	7.1
165.12779	6.6
179.14249	36.2
181.93665	4.1
195.13797	17.7
212.16441	28.4
259.20505	5.7
267.21750	8.7
276.23453	7.8
277.21597	71.9
285.05518	4.1
287.36453	3.9
292.22690	15.5
294.21329	6.3
294.24298	100.0
295.22672	49.4
312.25238	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	312.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05534	2.8
58.03693	2.4
58.77794	2.3
62.05789	4.8
62.06097	100.0
66.80281	2.6
67.05501	3.7
69.07068	14.1
73.66259	2.3
74.69305	2.1
79.05492	2.9
81.07054	10.8
83.08621	6.1
92.21115	5.8
93.07024	3.3
95.08604	16.0
97.10149	4.1
109.10071	2.3
121.10141	3.6
167.22748	3.1
191.44969	2.8
275.21207	2.3
294.27759	3.3
295.26358	3.7
312.25922	4.2
312.29037	49.6
312.32401	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	312.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89862	1.6
55.05513	3.6
57.07079	1.9
58.06639	1.6
62.06084	8.3
66.49303	1.9
66.65568	1.6
69.07082	7.5
71.08651	1.8
83.08632	2.2
93.41136	2.1
97.10213	2.0
104.64046	1.7
142.69972	1.8
157.93294	1.8
180.94612	1.8
197.76057	1.8
239.31070	2.2
280.83463	1.7
304.82510	2.6
312.32602	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.3257
Annotation	SCHEMBL10213257
Peak:m/z	Relative Intensity
54.53417	0.5
57.07077	2.2
63.71336	0.5
69.07076	0.6
71.08651	0.6
72.04534	0.9
75.02034	0.5
79.18127	0.6
83.08600	1.0
83.98109	0.5
84.41644	0.5
102.09190	0.9
116.10721	2.4
177.09334	0.7
263.11676	0.7
283.36029	0.6
312.32587	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.3258
Annotation	SCHEMBL10213257
Peak:m/z	Relative Intensity
55.05519	1.1
57.07077	4.3
58.62867	0.9
64.77740	1.0
69.07067	4.2
71.08619	1.9
74.06072	2.3
83.08582	1.4
85.10149	1.3
88.07636	11.4
99.73341	0.9
102.09194	7.6
116.10719	1.8
130.12183	1.3
142.71544	1.0
244.05130	1.0
312.32590	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	312.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43159	0.2
57.07085	2.1
58.06612	0.4
60.07868	0.4
60.08168	9.2
71.08633	1.9
76.62847	0.3
85.10211	0.5
105.57253	0.2
135.74889	0.2
175.22704	0.2
177.41405	0.3
239.29045	0.3
280.90665	0.3
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	312.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07083	1.9
57.58546	0.2
58.06609	0.4
60.08170	9.9
63.19801	0.2
71.08639	1.9
71.56935	0.2
85.10182	0.6
85.76637	0.2
130.82320	0.2
141.84483	0.2
167.84024	0.2
303.72379	0.3
312.36227	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54845	0.2
57.07063	1.9
58.06604	0.3
60.06967	0.3
60.07869	0.3
60.08168	8.9
66.31838	0.2
71.08623	1.6
78.43896	0.2
85.10171	0.4
124.16998	0.3
159.42282	0.2
167.22871	0.3
312.07184	0.3
312.36221	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0793
Annotation	Inosine-5'-carboxylate
Peak:m/z	Relative Intensity
54.31482	1.3
57.94951	1.3
60.05645	3.0
66.79564	1.4
68.60626	1.4
68.87680	1.4
69.45436	1.2
69.99874	1.4
72.33356	1.3
74.60507	1.4
76.18427	1.5
76.61132	1.7
89.51709	1.7
95.08585	1.4
96.49580	1.4
102.46016	1.7
149.47375	1.5
151.03941	6.3
157.32863	1.6
181.07391	8.3
227.07895	3.9
264.33624	1.9
269.08963	99.4
270.90717	1.6
313.07916	100.0
313.18610	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	313.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18744	0.1
73.45121	0.2
81.73722	0.2
91.05492	0.3
93.07056	0.7
98.37914	0.2
103.05468	1.8
114.87408	0.2
120.08107	100.0
126.09154	0.3
131.04977	0.3
143.44775	0.2
151.03932	0.2
153.75995	0.2
166.08650	4.2
167.78424	0.2
181.08678	0.2
267.15015	0.4
313.15445	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	313.1545
Annotation	Phe Phe
Peak:m/z	Relative Intensity
55.18744	0.1
73.45121	0.2
81.73722	0.2
91.05492	0.3
93.07056	0.7
98.37914	0.2
103.05468	1.8
114.87408	0.2
120.08107	100.0
126.09154	0.3
131.04977	0.3
143.44775	0.2
151.03932	0.2
153.75995	0.2
166.08650	4.2
167.78424	0.2
181.08678	0.2
267.15015	0.4
313.15445	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	313.2371
Annotation	(9Z,11E)-(13S)-13-Hydroperoxyoctadeca-9,11-dienoic acid
Peak:m/z	Relative Intensity
55.05514	14.5
57.03440	17.4
61.63265	2.4
67.05511	60.1
69.07065	42.4
71.04996	42.5
79.05493	46.5
81.07057	81.4
83.08624	30.3
85.06547	16.2
91.05476	17.9
91.96417	2.7
93.07043	76.4
95.08614	100.0
97.06531	20.2
97.10177	4.4
99.08125	3.6
105.07057	22.3
107.08602	54.5
109.06506	3.7
109.10170	29.5
111.08080	14.2
111.11672	2.8
113.09641	5.5
115.07586	16.1
117.07001	7.2
119.08604	21.8
121.10138	48.6
123.08059	4.5
123.11710	6.3
125.09606	4.0
131.08545	34.9
133.10164	23.2
134.79436	3.7
135.11662	32.9
143.08510	3.7
145.10097	10.7
147.11650	24.0
149.13278	26.8
151.11166	5.5
159.11703	6.5
161.13248	18.8
163.11163	3.5
163.14874	11.4
165.12744	3.3
173.13251	41.1
187.14798	7.4
189.16302	3.4
191.14287	16.9
207.17398	3.8
209.15349	32.5
221.15533	4.0
227.16344	15.8
241.19629	7.9
259.20499	19.1
277.21594	97.5
278.22003	5.9
295.22455	27.1
299.58749	2.9
313.23920	3.8
331.06238	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	313.237
Annotation	(9Z,11E)-(13S)-13-Hydroperoxyoctadeca-9,11-dienoic acid
Peak:m/z	Relative Intensity
55.01885	3.0
55.05516	11.9
57.03440	2.8
57.07080	2.6
64.45580	1.7
66.08902	1.7
67.05511	25.0
69.07069	10.6
71.04998	8.8
71.08628	14.3
79.05501	12.0
81.07061	21.0
83.04983	3.8
83.08617	15.7
85.06538	4.3
87.71145	2.0
91.05478	3.7
93.07057	18.5
95.08595	16.7
97.06535	4.2
97.10165	21.4
99.08083	16.2
105.07047	3.9
107.08611	17.1
109.10178	18.7
111.08060	2.6
117.07077	1.9
119.08598	3.4
121.10155	7.7
123.11744	2.9
125.09635	18.0
127.11176	10.1
133.10124	8.5
135.08031	2.7
135.11673	12.3
137.13206	2.0
141.12740	49.1
145.10136	3.3
147.11687	3.6
151.11259	2.3
153.12747	8.6
161.13257	4.8
163.11169	7.3
169.12231	9.5
189.11206	10.8
259.20547	4.5
277.21609	42.2
295.22632	100.0
313.23639	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	313.2371
Annotation	(9Z,11E)-(13S)-13-Hydroperoxyoctadeca-9,11-dienoic acid
Peak:m/z	Relative Intensity
55.05514	14.5
57.03440	17.4
61.63265	2.4
67.05511	60.1
69.07065	42.4
71.04996	42.5
79.05493	46.5
81.07057	81.4
83.08624	30.3
85.06547	16.2
91.05476	17.9
91.96417	2.7
93.07043	76.4
95.08614	100.0
97.06531	20.2
97.10177	4.4
99.08125	3.6
105.07057	22.3
107.08602	54.5
109.06506	3.7
109.10170	29.5
111.08080	14.2
111.11672	2.8
113.09641	5.5
115.07586	16.1
117.07001	7.2
119.08604	21.8
121.10138	48.6
123.08059	4.5
123.11710	6.3
125.09606	4.0
131.08545	34.9
133.10164	23.2
134.79436	3.7
135.11662	32.9
143.08510	3.7
145.10097	10.7
147.11650	24.0
149.13278	26.8
151.11166	5.5
159.11703	6.5
161.13248	18.8
163.11163	3.5
163.14874	11.4
165.12744	3.3
173.13251	41.1
187.14798	7.4
189.16302	3.4
191.14287	16.9
207.17398	3.8
209.15349	32.5
221.15533	4.0
227.16344	15.8
241.19629	7.9
259.20499	19.1
277.21594	97.5
278.22003	5.9
295.22455	27.1
299.58749	2.9
313.23920	3.8
331.06238	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	313.237
Annotation	(9Z,11E)-(13S)-13-Hydroperoxyoctadeca-9,11-dienoic acid
Peak:m/z	Relative Intensity
54.12718	1.3
55.01869	2.1
55.05508	10.9
57.03449	4.1
57.07074	3.0
60.65545	1.3
61.93775	1.9
65.46815	1.6
65.60458	1.4
67.05209	1.9
67.05505	23.8
69.07063	10.1
71.04992	7.8
71.08640	15.9
75.33061	1.7
79.05489	11.4
79.40884	1.8
80.69702	1.6
81.07068	18.6
83.04967	7.8
83.08620	10.8
88.96187	1.5
91.05484	3.6
93.07029	18.5
95.04984	2.6
95.08614	15.4
95.09101	1.7
97.10175	22.6
99.08086	15.0
107.08601	15.4
109.10153	20.3
111.08045	2.4
119.08576	2.2
121.10139	8.8
123.11700	3.2
125.09632	14.1
127.11213	9.3
133.10132	3.8
135.11728	14.8
141.12747	47.0
141.91997	1.6
145.10123	6.8
147.11716	2.7
149.13211	2.9
151.11208	3.0
153.12737	8.1
161.13220	2.4
163.11115	3.3
169.12233	11.7
175.14711	2.2
179.14240	3.5
181.12241	3.0
189.11131	13.0
259.20505	3.0
277.21637	43.7
278.14441	2.4
283.18365	1.8
295.22662	100.0
313.23669	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	313.237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	17.2
55.05522	38.8
57.03434	9.2
57.07073	4.9
63.82160	2.1
67.05180	4.2
67.05513	84.7
69.03423	2.9
69.07073	42.1
71.04980	3.8
71.08635	32.0
79.05502	38.0
79.05933	2.9
81.03438	5.4
81.06623	3.3
81.07066	86.8
81.42924	2.0
83.04982	11.5
83.08627	40.9
85.06541	3.6
91.05492	30.8
93.07050	52.5
93.40040	2.5
95.04961	3.8
95.08612	49.0
95.09214	3.7
97.06526	22.2
97.10159	25.3
99.08085	21.9
105.06430	2.5
105.07033	23.4
107.04935	3.0
107.08594	42.7
109.06510	8.8
109.10156	60.7
111.08099	19.9
112.55986	2.6
113.09674	4.6
117.07013	6.0
119.08576	25.2
121.06502	2.3
121.10147	32.2
123.08080	5.3
123.11711	15.2
125.09623	14.0
128.14359	75.8
131.08554	4.3
133.10147	27.1
135.08092	3.0
135.11691	21.9
137.09630	12.4
139.11179	15.6
145.10107	4.6
147.11707	20.3
149.09579	3.8
149.13254	32.4
151.11185	14.3
153.12695	2.6
155.10634	4.4
159.11703	14.2
161.13240	10.1
162.87932	2.7
163.11186	4.2
165.12737	17.1
167.14297	3.8
168.13860	24.7
173.11723	23.5
173.13280	13.1
175.14844	4.0
177.12712	3.4
178.05034	3.7
179.14288	9.7
181.12253	2.7
185.13277	9.5
185.16495	10.8
189.11230	5.4
195.13820	25.5
206.09923	2.4
213.14870	10.6
231.20950	4.3
241.19618	9.8
249.22089	9.6
259.20538	10.7
277.21616	100.0
278.21872	4.5
278.24701	3.2
290.97458	2.6
295.22504	77.1
295.27524	6.1
296.22885	4.3
312.28040	2.5
313.25150	20.1
313.28485	18.5
321.93985	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	313.237
Annotation	(9Z,11E)-(13S)-13-Hydroperoxyoctadeca-9,11-dienoic acid
Peak:m/z	Relative Intensity
55.01891	17.2
55.05522	38.8
57.03434	9.2
57.07073	4.9
63.82160	2.1
67.05180	4.2
67.05513	84.7
69.03423	2.9
69.07073	42.1
71.04980	3.8
71.08635	32.0
79.05502	38.0
79.05933	2.9
81.03438	5.4
81.06623	3.3
81.07066	86.8
81.42924	2.0
83.04982	11.5
83.08627	40.9
85.06541	3.6
91.05492	30.8
93.07050	52.5
93.40040	2.5
95.04961	3.8
95.08612	49.0
95.09214	3.7
97.06526	22.2
97.10159	25.3
99.08085	21.9
105.06430	2.5
105.07033	23.4
107.04935	3.0
107.08594	42.7
109.06510	8.8
109.10156	60.7
111.08099	19.9
112.55986	2.6
113.09674	4.6
117.07013	6.0
119.08576	25.2
121.06502	2.3
121.10147	32.2
123.08080	5.3
123.11711	15.2
125.09623	14.0
128.14359	75.8
131.08554	4.3
133.10147	27.1
135.08092	3.0
135.11691	21.9
137.09630	12.4
139.11179	15.6
145.10107	4.6
147.11707	20.3
149.09579	3.8
149.13254	32.4
151.11185	14.3
153.12695	2.6
155.10634	4.4
159.11703	14.2
161.13240	10.1
162.87932	2.7
163.11186	4.2
165.12737	17.1
167.14297	3.8
168.13860	24.7
173.11723	23.5
173.13280	13.1
175.14844	4.0
177.12712	3.4
178.05034	3.7
179.14288	9.7
181.12253	2.7
185.13277	9.5
185.16495	10.8
189.11230	5.4
195.13820	25.5
206.09923	2.4
213.14870	10.6
231.20950	4.3
241.19618	9.8
249.22089	9.6
259.20538	10.7
277.21616	100.0
278.21872	4.5
278.24701	3.2
290.97458	2.6
295.22504	77.1
295.27524	6.1
296.22885	4.3
312.28040	2.5
313.25150	20.1
313.28485	18.5
321.93985	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	313.2733
Annotation	CHEBI:79180
Peak:m/z	Relative Intensity
55.05504	4.2
57.03444	10.4
57.06824	1.5
57.07082	31.7
62.07074	0.8
63.05056	0.9
67.05498	6.7
69.07069	5.9
71.08633	28.5
78.07725	0.8
81.07064	9.6
81.51905	1.0
83.08602	6.9
85.10186	14.4
95.08604	13.3
97.10163	4.0
103.07564	1.2
108.90233	1.0
109.10159	5.3
123.11700	1.5
128.70811	1.0
200.66513	1.0
204.30721	1.0
257.24652	1.9
290.69019	1.0
313.27359	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2734
Annotation	CHEBI:79180
Peak:m/z	Relative Intensity
55.05506	4.5
56.19284	0.8
57.03445	7.5
57.03657	0.8
57.07082	37.9
57.25173	0.7
57.64445	0.7
63.35564	0.7
67.05493	5.4
67.41474	0.8
69.07065	5.9
71.08627	27.0
81.07056	8.7
83.08601	6.3
85.10184	14.7
95.08596	10.7
97.10164	1.9
103.85420	0.8
109.10143	6.3
109.93539	0.8
113.69200	0.9
123.11704	1.1
151.75079	0.9
198.62108	0.8
313.27341	100.0
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	CHEBI:79180
Peak:m/z	Relative Intensity
53.00316	1.6
55.05518	2.4
57.03444	15.4
57.07084	49.4
60.89677	1.1
66.43639	1.0
67.05511	9.7
69.07066	7.1
71.04981	1.0
71.08634	34.4
81.07058	13.0
83.08630	8.0
85.10188	18.8
89.06049	1.9
95.08605	15.8
97.10159	2.5
103.07584	1.4
108.42834	1.0
109.10144	8.4
123.11752	1.3
158.83089	1.1
179.16202	1.1
239.23628	2.3
257.24756	2.1
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	314.0658
Annotation	3',5'-Cyclic dAMP
Peak:m/z	Relative Intensity
56.05034	0.6
60.22237	0.3
69.07052	0.7
69.61449	0.3
70.06587	2.2
72.08150	2.8
74.06049	0.4
75.14692	0.4
76.57519	0.4
77.67500	0.4
83.83958	0.4
84.04477	0.6
84.08160	0.7
85.02936	0.5
86.09698	2.7
88.04000	0.5
97.06447	0.5
101.01752	0.5
104.05283	0.6
110.07161	0.5
115.07560	0.7
122.42091	0.5
129.41325	0.4
130.05002	0.5
136.07570	2.8
137.07906	3.6
139.85272	0.4
152.07059	0.7
169.74338	0.5
170.58473	0.4
188.24678	0.4
209.02554	0.6
212.07104	1.9
214.08525	0.7
224.07079	2.8
225.07901	0.6
227.05841	0.7
240.06563	1.0
242.08192	2.0
247.19781	0.5
255.05252	13.0
270.07596	65.6
296.05542	2.3
300.76443	0.5
314.06573	100.0
323.51703	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	314.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	1.2
57.15039	0.5
58.23997	0.6
60.04515	1.4
60.05626	0.7
66.28825	0.5
69.03432	1.1
70.06592	22.8
72.04507	0.7
72.08138	1.3
74.06077	4.4
76.05127	1.5
83.49019	0.7
84.04502	8.5
84.08141	2.9
84.40225	0.6
86.09690	3.7
88.66955	0.7
90.05527	1.1
95.06087	2.6
97.02892	43.8
102.05526	1.1
110.07154	5.5
112.08707	4.4
114.10245	1.0
115.08698	8.0
116.07101	13.2
116.07960	1.1
116.08219	1.1
118.05051	0.7
120.08094	1.5
121.06512	8.9
124.07548	0.8
129.10255	1.0
130.05026	3.7
136.06184	100.0
138.06447	0.8
140.08165	1.0
143.01622	1.1
151.08678	1.6
152.05722	0.7
153.10172	0.6
156.07718	2.5
156.48186	0.7
157.09697	4.9
163.46825	0.7
164.05681	6.1
171.11259	3.4
178.07263	2.6
179.03706	1.3
199.12123	4.6
213.09856	1.3
213.12350	4.9
217.12917	4.0
220.15443	0.7
231.04358	0.8
246.99857	0.7
282.41415	0.8
296.08182	3.2
297.20013	0.8
314.09113	19.3
314.12369	1.2
314.14783	1.8
314.18216	19.1
324.60974	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	314.1019
Annotation	Melicopine
Peak:m/z	Relative Intensity
56.05034	0.7
57.23810	0.2
59.52608	0.3
60.04523	0.4
69.07086	0.4
70.06593	4.1
72.08146	1.5
84.08163	0.4
85.02891	0.4
86.06026	0.2
86.09708	3.8
87.04456	0.4
89.06025	0.6
94.06560	0.3
96.05602	0.3
97.02857	0.3
103.03947	1.5
112.08711	0.3
116.07050	0.5
120.08084	3.8
122.06015	1.6
128.07095	0.6
129.10201	0.3
133.08588	0.4
134.09613	1.3
136.07515	0.3
140.07011	1.9
147.04431	0.3
147.78990	0.3
148.04732	0.3
149.09662	0.3
152.07018	1.4
152.10704	2.6
152.62239	0.3
183.07603	0.3
211.11838	0.4
212.06786	0.6
215.13979	2.6
226.08649	1.3
227.09380	3.0
254.07986	1.1
255.08888	38.4
270.07739	1.7
270.11224	22.3
271.08392	1.4
273.72751	0.3
286.10654	1.1
297.10175	0.4
297.15210	0.6
298.06927	0.6
299.07852	15.1
314.10202	100.0
334.52890	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	314.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94495	0.4
58.01573	0.5
66.21868	0.5
72.46137	0.5
76.29604	0.5
87.04474	35.8
94.02937	4.5
94.72492	0.5
96.17599	0.5
98.06050	0.7
122.02422	0.7
126.05515	26.1
129.06638	0.6
154.05002	84.1
168.07671	3.2
186.07620	56.0
195.10034	1.3
219.07692	0.7
222.08649	0.7
228.09785	1.2
236.10300	1.3
254.11362	0.8
307.66415	0.6
314.13458	100.0
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
50.53153	0.6
55.05500	0.8
65.55219	0.6
78.58414	0.6
83.04976	7.7
84.04501	1.5
84.31026	0.8
85.38720	0.8
89.03928	0.8
91.05492	1.8
93.07045	7.3
95.04997	0.8
100.94638	0.8
103.05465	1.4
117.03363	5.5
121.06503	68.7
126.05521	4.6
132.14017	0.7
138.05507	11.3
145.02850	51.3
149.05992	3.4
163.78200	0.8
168.06573	1.8
177.05463	100.0
184.84436	0.7
186.07626	1.6
314.13849	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	314.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05044	0.5
70.06590	0.9
70.66759	0.4
72.08163	7.2
74.06087	6.5
84.04475	0.8
84.08154	0.6
85.02889	0.5
86.09706	1.0
87.04483	0.5
90.05576	0.4
92.20902	0.4
93.71960	0.4
109.20866	0.4
110.06033	2.1
114.09171	15.3
116.07103	0.4
127.08642	0.8
130.05067	0.7
130.08652	0.6
137.05971	0.6
138.05457	0.4
142.08638	11.1
145.09720	3.5
151.07567	7.2
152.07048	1.8
165.09103	1.4
173.09314	0.9
189.02051	0.4
192.00252	0.4
210.05905	0.4
213.12355	7.9
254.11389	4.5
254.13889	0.4
254.15097	0.5
255.05231	0.6
268.13400	0.7
268.16568	1.5
270.07584	6.9
282.11102	0.7
284.09180	0.8
285.09961	0.6
289.08151	0.4
296.12747	0.7
297.15576	0.7
298.10721	18.5
299.11533	40.2
314.06622	9.0
314.13858	100.0
314.16766	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	314.1749
Annotation	Armepavine
Peak:m/z	Relative Intensity
53.93776	0.5
58.06608	24.1
67.29141	0.5
74.24985	0.4
74.54392	0.4
85.34112	0.4
107.04962	43.6
121.06529	5.3
130.98225	0.5
136.62863	0.6
137.05978	5.6
143.04932	7.7
145.06499	5.0
147.08078	0.9
151.07498	1.0
163.07504	0.9
175.07565	4.9
177.09039	0.8
192.10188	1.2
194.11798	0.9
209.09607	2.1
211.11212	0.7
237.09166	5.2
239.10576	0.6
269.11697	14.7
269.14368	0.8
271.13303	3.6
282.14856	0.6
314.17502	100.0
328.16458	0.5
328.76813	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	314.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57664	0.4
56.05046	0.6
58.06608	75.4
59.13161	0.5
66.54019	0.5
70.02943	1.0
70.06570	0.7
71.22560	0.6
81.07064	0.8
85.85613	0.5
95.08593	0.7
98.03170	0.5
98.06086	0.6
107.04951	29.6
121.06535	4.8
133.06023	1.1
136.10759	0.6
137.06026	4.3
143.04958	2.8
145.06493	3.4
147.08073	1.0
151.07547	2.9
154.28081	0.6
163.07533	1.4
175.07536	7.8
182.15408	10.7
192.10162	1.2
194.00391	0.6
200.16504	0.7
206.15292	0.7
208.16902	2.1
209.02594	2.2
209.09639	3.2
211.11148	1.1
225.19687	1.1
234.14845	12.7
237.09035	4.5
239.10706	1.3
251.17442	1.0
252.15906	1.0
269.11731	11.6
269.18616	0.5
270.07553	1.1
271.13318	3.3
296.09137	1.1
314.06607	2.3
314.09991	3.8
314.17502	100.0
314.20755	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	314.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	0.6
58.06607	85.6
68.62315	0.4
69.07080	0.5
70.06579	1.0
72.08157	2.9
84.04520	0.9
84.08142	0.6
86.09698	6.8
87.47838	0.5
90.05529	2.2
98.97576	0.6
103.32303	0.5
107.04958	32.4
115.05494	0.6
119.04963	0.6
121.06493	4.5
130.08640	0.6
137.05988	4.1
143.04921	2.6
144.02448	0.5
145.06500	4.3
147.08055	1.2
150.94188	0.6
151.07553	2.7
158.74138	0.5
162.06526	0.5
163.07567	2.0
175.07535	9.0
186.22958	0.6
193.11066	0.7
197.12724	0.7
209.09584	3.9
211.11172	2.6
237.09106	6.5
239.10533	1.9
269.11707	10.8
271.13309	4.1
299.11362	2.2
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	314.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	0.6
58.06607	85.6
68.62315	0.4
69.07080	0.5
70.06579	1.0
72.08157	2.9
84.04520	0.9
84.08142	0.6
86.09698	6.8
87.47838	0.5
90.05529	2.2
98.97576	0.6
103.32303	0.5
107.04958	32.4
115.05494	0.6
119.04963	0.6
121.06493	4.5
130.08640	0.6
137.05988	4.1
143.04921	2.6
144.02448	0.5
145.06500	4.3
147.08055	1.2
150.94188	0.6
151.07553	2.7
158.74138	0.5
162.06526	0.5
163.07567	2.0
175.07535	9.0
186.22958	0.6
193.11066	0.7
197.12724	0.7
209.09584	3.9
211.11172	2.6
237.09106	6.5
239.10533	1.9
269.11707	10.8
271.13309	4.1
299.11362	2.2
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	314.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63548	0.6
50.68281	0.6
58.06606	23.1
69.31142	0.6
73.81178	0.6
91.68494	0.7
105.52608	0.6
107.04961	40.6
115.05447	1.3
121.06509	5.3
137.05975	5.7
143.04930	9.6
145.06483	4.5
147.08127	0.9
147.49213	0.7
151.07541	1.2
175.07515	5.3
177.09059	1.0
192.10182	0.9
209.09604	3.4
212.15979	0.7
237.09135	5.3
239.10603	0.9
248.37497	0.8
269.11710	12.6
271.13324	3.2
295.95660	0.7
314.17480	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	314.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70185	0.8
55.01855	1.4
56.05036	1.6
58.06608	26.4
67.05514	1.2
68.70202	0.7
69.07072	3.6
70.02956	8.5
70.06593	2.2
71.30938	0.7
72.04529	0.9
79.05509	1.6
81.07053	6.9
82.06595	1.4
84.04516	1.8
84.08140	4.1
87.05589	7.3
88.03992	3.9
93.07034	1.8
95.08616	5.8
96.04508	4.1
96.60211	0.8
98.06030	4.2
105.07054	1.7
107.04958	9.6
108.04481	4.5
110.06070	3.7
121.01141	1.0
121.06548	1.0
121.10155	1.1
124.03946	0.9
133.06088	16.4
135.11728	1.7
137.13297	1.2
146.40601	0.9
147.11682	6.0
149.00571	11.1
154.05022	1.9
163.11197	1.1
164.14413	3.7
165.12769	3.7
175.07564	4.1
180.13783	4.6
180.17583	0.9
181.17096	1.3
182.15396	78.5
192.13846	5.2
192.99557	6.0
194.00397	1.6
194.15375	6.5
199.18071	11.7
200.16454	7.7
206.15442	17.4
208.16956	16.9
209.02661	22.7
210.14903	3.8
211.18080	7.0
225.19550	11.1
233.16623	2.0
234.14886	100.0
236.16479	4.0
237.09171	1.2
238.14366	1.6
251.17496	14.1
252.15926	12.2
259.59521	0.9
269.11725	1.9
269.18604	4.2
270.21683	7.8
276.37637	0.9
279.16946	1.1
296.19614	1.1
297.18091	1.9
314.06827	1.4
314.17435	27.5
314.20758	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	314.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34102	0.5
51.49559	0.4
55.05508	3.1
56.05048	1.3
59.46144	0.5
63.57240	0.5
63.77373	0.5
64.82777	0.5
70.06232	0.9
70.06596	20.6
72.08160	100.0
74.06069	2.6
80.33595	0.5
84.04517	1.2
84.08143	1.3
86.09705	10.2
105.49368	0.6
116.07094	95.7
129.10268	0.6
132.10205	2.7
136.07513	0.8
141.92636	0.7
155.08125	1.4
171.14922	32.8
175.15483	0.6
182.63541	0.7
199.14407	22.3
204.12090	1.1
212.06689	1.4
215.13959	2.8
250.12656	1.0
255.05301	1.2
270.07562	14.7
314.06589	24.8
314.12573	3.3
314.17026	0.9
314.20761	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	314.2687
Annotation	(+)-Prosopinine
Peak:m/z	Relative Intensity
52.55513	2.5
55.05516	12.7
57.03433	16.1
57.03683	2.0
57.07079	3.7
60.11390	1.9
67.05511	54.9
69.07066	27.9
71.05003	18.3
79.05486	18.2
80.80097	2.0
81.07062	100.0
83.08612	25.9
85.06554	5.8
85.10181	4.2
91.05473	5.3
92.63201	1.9
93.07040	35.8
95.08599	92.0
97.06518	4.3
97.10184	17.3
99.08096	9.1
104.48132	2.4
105.07056	4.4
105.45554	2.5
107.08589	36.8
109.10165	61.6
111.08068	2.8
111.11754	4.1
119.08586	10.3
121.10122	47.8
123.11707	26.7
125.09612	4.5
131.08524	6.0
133.10159	17.0
135.11678	33.5
137.09534	3.0
137.13280	9.5
139.11142	5.1
145.10104	11.3
147.11691	4.6
149.13216	17.8
151.11186	3.5
151.14751	3.0
153.12723	3.2
159.11691	4.2
161.13258	10.0
163.14793	5.3
166.20425	2.8
173.13249	9.8
175.14760	5.8
177.16389	2.8
187.14728	5.3
230.87801	2.8
243.21016	17.9
246.47765	2.5
261.22171	26.7
278.24783	16.6
279.23184	74.8
296.22784	3.5
296.25854	53.3
297.77795	2.9
314.26886	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	315.0861
Annotation	KOPARIN 2'-METHYL ETHER
Peak:m/z	Relative Intensity
52.12012	0.3
80.42700	0.3
85.77925	0.3
96.13390	0.3
128.16556	0.3
134.03622	0.4
152.51578	0.4
167.03433	3.7
175.03983	0.4
184.03644	2.1
212.04625	0.5
223.03888	0.5
229.04968	0.4
240.04140	0.4
243.06300	0.8
244.07181	2.5
248.39188	0.3
255.06474	4.6
257.04272	0.4
259.09647	2.4
265.08655	0.5
267.47699	0.3
268.03629	0.7
272.06769	1.4
283.06046	6.0
297.22208	0.4
297.25604	0.4
299.05511	1.9
300.06290	37.1
315.08624	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	8.6
59.25468	0.9
70.02980	1.2
70.06591	5.2
71.09750	0.9
72.04520	1.9
73.70826	1.1
74.02456	1.6
74.06083	28.0
75.54947	1.0
76.05106	1.7
76.56532	1.0
84.08148	11.2
85.02888	2.7
86.09718	2.3
94.02924	26.1
96.04499	6.2
99.62729	1.2
102.05559	8.7
108.05614	2.1
111.05587	4.7
112.04008	1.8
118.05029	1.8
120.06570	34.1
124.03976	13.3
126.05518	40.5
127.51338	1.1
128.07118	1.3
129.10239	2.1
130.08592	1.1
134.78345	1.2
135.98459	1.1
136.05058	2.7
142.05003	9.6
150.06621	1.6
152.05688	1.7
154.04982	4.1
154.06137	9.6
156.06583	13.3
160.07132	1.6
164.04532	45.9
164.94969	1.1
168.07655	16.3
182.05608	45.2
196.07205	24.7
214.08229	27.3
236.37628	1.2
261.41663	1.1
271.13971	2.4
298.10532	1.6
307.92081	1.2
315.12982	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	315.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25862	1.1
71.08646	1.5
72.04527	2.3
73.91381	1.2
74.02439	1.6
76.05132	22.9
79.05499	1.9
83.04994	5.7
93.07049	2.8
96.05637	2.9
97.06461	5.0
102.05546	1.7
118.05022	7.4
121.67360	1.1
134.17003	1.4
139.01382	1.1
139.11174	62.5
139.12221	2.3
151.84096	1.2
160.07166	14.0
164.19572	1.2
171.48410	1.1
172.94177	1.1
174.01485	1.1
177.09801	18.6
198.60506	1.1
214.15486	13.5
223.59105	1.4
223.62975	1.1
301.13068	1.3
315.20270	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51072	0.4
55.05508	2.0
56.05041	1.0
60.05653	0.8
67.05491	2.1
69.03423	1.6
69.07056	0.8
71.08633	1.9
72.04514	5.1
74.02441	3.3
74.06066	0.9
76.05131	25.3
79.05491	5.1
83.04986	10.0
83.08609	0.6
86.09692	1.1
93.07043	5.5
95.08604	2.0
96.05621	7.4
97.06424	4.5
102.05518	1.6
107.04948	0.5
116.08213	0.5
117.06812	0.5
118.05006	11.3
119.07320	6.7
120.06545	0.4
121.10120	2.1
131.09288	1.7
134.05998	0.9
135.07639	1.8
139.11179	63.4
140.10703	0.8
159.08792	0.9
160.07170	15.1
177.09831	17.9
179.07082	1.0
190.12956	0.5
214.15480	11.2
252.10187	0.6
254.11887	0.8
269.12885	2.0
270.18137	0.8
315.13339	3.1
315.20255	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35183	1.4
53.87723	1.4
55.01870	1.5
55.05501	2.3
57.07081	3.6
65.59951	1.5
67.05505	13.0
68.05855	1.7
69.07062	3.3
71.04961	2.5
72.01461	1.9
79.05492	4.3
81.07059	18.2
82.07405	3.2
83.08637	3.5
85.06570	2.8
85.10180	1.9
91.05482	4.0
93.07057	16.9
95.08605	34.4
96.08929	3.7
97.06484	1.8
102.09733	1.8
105.07034	11.5
107.08601	10.7
109.10161	12.9
110.10477	3.1
111.08102	1.9
113.09631	2.7
117.07049	2.6
119.08578	10.9
121.10139	66.7
122.10486	2.2
123.11697	3.7
129.07001	4.6
130.43692	1.9
131.08556	4.8
133.10146	12.9
135.11688	3.0
136.12016	3.5
143.08545	8.1
145.10138	15.2
147.11678	30.0
157.10181	7.6
159.11650	15.0
161.13303	12.2
169.10081	3.1
171.11722	21.3
173.13258	12.9
175.11162	21.3
181.10164	2.4
183.11722	11.1
185.13248	38.2
187.14774	2.6
189.12766	23.5
195.11725	3.1
197.13344	7.8
199.14783	3.7
209.13351	2.5
211.14839	8.9
223.14777	4.2
225.16400	2.7
237.16435	3.2
252.19148	2.0
253.19514	2.7
256.38913	1.9
262.22366	3.8
267.21130	10.5
269.22644	10.1
279.21136	32.6
279.24774	3.6
280.23557	19.8
281.89783	2.2
297.22162	85.5
297.26031	13.4
315.23215	100.0
315.26724	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	315.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66629	1.3
61.89343	1.5
67.05505	6.7
69.07085	2.5
79.05450	2.0
81.07063	8.5
82.53532	1.7
83.08633	1.6
88.33836	1.4
88.83453	1.6
90.17735	1.5
92.70457	1.5
93.07024	6.9
95.08613	10.9
95.48632	1.5
105.07021	3.3
107.08572	13.5
109.10154	8.6
111.08075	2.1
118.13650	1.8
119.08569	3.4
121.10141	9.8
123.11714	2.2
123.81306	1.5
131.08582	7.0
133.10114	14.6
135.11681	6.0
143.08557	2.8
145.10124	8.7
147.11702	11.5
157.10086	14.0
159.11691	24.3
161.13272	8.9
169.10155	3.6
171.11691	15.4
173.13255	7.0
175.11162	2.9
183.11710	6.3
185.13231	7.4
187.14906	5.6
190.64761	1.6
195.11722	3.1
197.13239	6.0
199.14853	3.7
209.13333	2.4
215.72844	1.7
225.16383	9.8
239.17906	1.9
251.18004	21.5
253.19405	3.4
254.93237	1.9
269.22614	11.0
279.21033	50.2
297.22156	52.3
315.08633	2.8
315.19595	3.9
315.23199	100.0
315.26273	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	315.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66629	1.3
61.89343	1.5
67.05505	6.7
69.07085	2.5
79.05450	2.0
81.07063	8.5
82.53532	1.7
83.08633	1.6
88.33836	1.4
88.83453	1.6
90.17735	1.5
92.70457	1.5
93.07024	6.9
95.08613	10.9
95.48632	1.5
105.07021	3.3
107.08572	13.5
109.10154	8.6
111.08075	2.1
118.13650	1.8
119.08569	3.4
121.10141	9.8
123.11714	2.2
123.81306	1.5
131.08582	7.0
133.10114	14.6
135.11681	6.0
143.08557	2.8
145.10124	8.7
147.11702	11.5
157.10086	14.0
159.11691	24.3
161.13272	8.9
169.10155	3.6
171.11691	15.4
173.13255	7.0
175.11162	2.9
183.11710	6.3
185.13231	7.4
187.14906	5.6
190.64761	1.6
195.11722	3.1
197.13239	6.0
199.14853	3.7
209.13333	2.4
215.72844	1.7
225.16383	9.8
239.17906	1.9
251.18004	21.5
253.19405	3.4
254.93237	1.9
269.22614	11.0
279.21033	50.2
297.22156	52.3
315.08633	2.8
315.19595	3.9
315.23199	100.0
315.26273	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	316.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90035	1.5
55.05529	2.0
55.47334	1.5
57.01736	1.4
60.04534	100.0
62.57576	1.5
65.97656	1.2
67.05495	7.4
69.07059	3.5
71.04991	1.5
72.04538	1.4
79.05499	2.8
81.07063	33.8
83.04978	3.2
83.08606	3.8
88.04004	17.0
90.42505	1.4
91.05490	7.9
92.20992	1.8
92.21494	2.5
93.07026	3.1
95.08604	3.0
96.04494	1.9
105.07033	17.8
106.05035	96.1
106.05750	3.3
107.08573	6.9
109.06548	2.4
112.35542	1.8
119.08582	9.6
121.10124	15.5
123.11696	17.9
133.10091	3.5
142.05029	1.7
147.11697	46.4
165.12772	16.5
183.13808	1.8
206.15401	14.1
212.78212	1.7
224.16490	2.8
234.14844	19.3
252.15938	21.9
267.78320	1.8
270.17044	12.3
280.15289	15.0
298.16467	86.7
298.19843	2.8
316.17429	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	316.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57409	1.0
60.05655	14.3
62.71685	0.8
69.07090	1.1
81.07059	3.7
84.40333	1.1
86.09708	39.0
88.05106	5.8
90.47643	0.9
91.05500	1.2
93.07007	1.8
96.04488	10.5
105.07039	1.1
108.04484	1.5
109.83372	0.9
109.84261	0.9
110.07144	1.9
111.05561	4.4
112.05101	4.2
112.07637	1.1
122.06032	1.2
129.78918	0.9
132.10201	1.4
132.50067	1.0
133.10129	5.6
138.06541	2.0
143.08614	1.3
150.06615	5.4
150.12758	6.1
150.81540	1.0
157.13361	17.5
160.11218	1.6
161.09615	4.5
163.11150	1.4
168.13850	1.3
178.12241	15.9
179.10666	4.1
185.12862	10.8
188.10718	7.0
192.14870	1.2
196.13266	14.5
202.13335	6.9
206.11748	20.4
207.10097	1.3
212.11903	1.8
220.14462	23.0
221.09624	2.3
221.12804	1.7
224.12813	53.3
230.06654	1.0
230.12878	25.9
238.15462	13.7
239.13907	1.9
242.13828	5.6
248.13918	61.0
256.16409	5.0
266.14984	36.8
267.13416	4.5
271.22729	1.1
284.16043	60.5
298.17700	7.8
316.18655	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.3
56.05032	2.9
56.99928	1.5
58.33711	1.3
58.48967	1.3
60.05658	17.5
61.31395	1.2
67.05500	1.5
69.07053	2.4
74.06060	6.8
80.54955	1.6
81.07052	3.3
82.06557	1.3
83.43906	1.3
83.71893	1.3
88.05093	1.6
91.05449	2.7
91.81973	1.3
93.07011	1.6
94.04016	3.3
96.04454	8.3
104.30202	1.6
109.10136	2.0
110.06007	1.5
110.07118	2.8
111.05546	3.6
119.51721	1.4
122.05997	1.4
126.06719	2.0
133.10135	2.8
133.93738	1.4
138.06618	6.7
140.04579	2.8
150.06635	11.5
150.12790	2.0
152.14334	2.5
160.11284	2.8
161.09517	2.4
178.12212	13.5
188.10692	2.1
189.08923	1.7
196.13295	13.3
202.13368	16.2
204.14944	1.6
206.11740	21.0
207.10303	1.8
212.11768	5.9
214.14316	1.9
220.14441	27.6
224.12796	49.4
230.12891	47.7
238.15495	16.7
242.13869	3.0
248.13924	93.0
252.19499	9.1
256.16406	7.0
262.15457	2.1
266.14999	60.6
267.13452	1.8
270.20706	13.6
280.16507	8.9
284.16019	53.5
298.17599	24.1
312.72650	1.6
316.18561	100.0
316.21671	10.5
327.96231	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	316.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70447	0.9
56.05033	2.4
60.05657	94.3
61.51389	0.9
62.20624	1.0
67.05512	2.2
69.07051	1.2
70.02944	1.5
70.06580	2.0
71.05000	1.7
72.08168	1.6
74.06070	1.3
74.50412	1.0
76.05123	4.8
77.55193	1.2
81.07051	1.3
84.08175	1.4
86.09692	2.0
91.05453	1.2
93.07005	1.5
95.08588	1.1
96.05609	1.6
97.02888	1.6
97.06488	1.9
97.10155	1.5
98.25628	1.2
105.07007	1.4
107.08569	1.8
108.37286	1.0
109.06491	2.2
112.05051	2.3
112.07603	1.1
114.06649	1.2
114.09135	4.8
124.05099	1.7
125.09633	2.4
131.63885	1.1
137.09570	1.3
138.06644	1.8
139.29933	1.1
145.10117	1.3
153.09091	1.2
160.07141	1.9
160.09409	1.3
172.13351	1.3
178.12238	2.5
179.10680	2.2
196.13316	6.1
206.11758	6.2
207.10155	5.9
222.12363	12.3
223.13271	4.6
224.12723	4.8
238.14497	2.1
240.17044	6.8
245.59041	1.3
248.13922	6.6
252.17068	4.9
252.85506	1.1
254.14903	4.8
266.14996	16.2
270.17844	1.7
272.15909	2.4
280.16507	8.9
284.15875	4.7
284.19562	2.4
298.17587	24.3
316.12466	3.7
316.18604	100.0
316.21643	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	316.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32235	0.4
51.91439	0.5
53.46070	0.4
56.05050	0.5
56.49276	0.4
60.04530	9.5
62.88690	0.6
70.06596	33.2
72.08158	0.8
74.06086	0.6
75.15177	0.5
76.05122	0.7
84.04507	1.0
84.06428	0.6
84.08141	0.9
86.09705	41.8
87.05582	6.5
99.84512	0.6
102.05586	0.6
116.07092	100.0
121.25719	0.6
128.10709	4.1
130.06499	0.9
146.05861	0.6
157.09738	2.9
163.95097	0.6
170.06023	0.7
173.12845	47.9
188.06998	4.1
199.17992	0.7
201.12323	10.8
223.36237	0.7
229.15479	2.8
270.12216	0.9
301.09305	0.7
316.08417	1.0
316.11945	4.0
316.18506	5.6
316.22040	0.6
333.51761	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2228
Annotation	Ile Ala Ile
Peak:m/z	Relative Intensity
50.19430	0.3
52.79977	0.4
53.15771	0.3
53.85257	0.3
54.00486	0.3
56.19330	0.4
68.21210	0.3
69.07068	1.7
78.28825	0.4
82.43246	0.4
86.09707	100.0
89.07152	0.8
119.08607	0.4
125.66176	0.4
126.08401	0.4
132.10190	5.3
137.09550	1.6
157.13354	45.5
185.12846	31.5
199.18088	0.7
203.13983	2.5
220.29605	0.5
222.15004	0.5
227.17641	0.5
245.18556	1.8
258.17023	2.7
316.22034	3.6
339.40909	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	316.223
Annotation	Ala Leu Leu
Peak:m/z	Relative Intensity
50.67232	0.3
56.54296	0.4
58.17436	0.3
58.55999	0.4
62.75864	0.4
63.57623	0.3
68.09623	0.4
84.29643	0.4
86.09709	100.0
132.10236	4.5
157.13356	42.4
185.12852	29.0
193.95430	0.5
204.04192	0.4
245.18552	3.0
298.21347	0.5
316.22311	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	316.223
Annotation	H-LEU-LEU-ALA-OH
Peak:m/z	Relative Intensity
55.05513	0.3
57.44693	0.2
60.04543	1.7
62.07129	0.2
69.07075	2.8
70.06598	2.3
72.08157	11.9
84.08142	0.9
86.09707	100.0
86.46759	0.2
87.05592	1.3
96.07607	0.2
96.27015	0.2
110.07165	1.5
116.07087	6.7
128.10678	0.5
129.10243	1.0
130.06511	0.4
146.39940	0.2
148.10973	0.3
156.07645	2.0
156.26688	0.3
165.62939	0.2
171.14914	3.4
173.12837	5.1
199.14326	3.0
199.18053	15.0
201.12389	0.9
203.13895	6.3
205.09720	0.3
217.15555	0.3
227.17520	19.6
233.91429	0.2
238.30103	0.2
260.90881	0.2
268.78665	0.3
316.18481	0.8
316.22308	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	316.223
Annotation	H-LEU-LEU-ALA-OH
Peak:m/z	Relative Intensity
51.97087	0.3
53.88998	0.3
55.05516	3.1
55.05732	0.3
57.05831	0.4
57.64672	0.3
63.31564	0.4
67.05489	0.3
69.07065	1.4
72.08157	55.4
84.04506	6.4
86.09707	100.0
101.07135	1.4
104.07109	4.9
105.07063	0.6
105.84254	0.3
116.07092	1.8
128.10698	5.6
129.10251	0.4
130.06555	0.4
132.10211	1.4
143.08151	0.3
144.06561	18.6
157.07610	0.4
157.13390	1.3
161.09204	12.5
180.61211	0.3
185.12929	1.6
185.16478	26.6
188.07054	1.5
199.18002	2.5
203.13928	2.4
213.15977	25.3
217.15463	4.7
227.17523	2.8
258.96588	0.4
316.13016	0.5
316.22354	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	316.2229
Annotation	H-LEU-LEU-ALA-OH
Peak:m/z	Relative Intensity
55.05517	1.6
56.05043	49.9
57.07063	0.8
58.06607	1.2
67.05511	5.3
68.05025	1.1
69.07067	10.2
70.06594	4.4
72.08150	4.0
74.02429	1.2
74.06083	45.0
77.21104	0.8
79.05502	7.9
79.38041	0.7
81.07064	9.6
82.06577	5.7
83.08646	1.4
84.08142	4.6
86.09669	6.6
91.05501	0.9
93.07046	14.8
95.08600	5.1
96.08124	8.2
97.06545	1.4
98.79398	0.9
100.07593	1.1
102.05541	11.9
107.08601	13.2
109.10155	1.9
110.09686	5.7
111.11734	1.1
120.06577	16.9
121.10107	1.1
132.10219	1.5
135.11693	12.8
140.14357	1.1
145.10132	1.3
152.14348	41.2
153.12749	3.3
163.11197	1.7
170.15433	1.3
180.13809	11.9
182.15427	4.6
185.12846	1.1
197.16447	3.6
198.14906	14.1
215.17590	13.7
239.69177	0.9
252.19597	4.3
270.20575	7.1
282.16937	1.4
299.19662	3.7
316.22302	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	316.2228
Annotation	H-LEU-LEU-ALA-OH
Peak:m/z	Relative Intensity
53.88055	0.4
55.05514	3.0
55.92480	0.5
56.05043	1.0
56.66818	0.5
60.04519	0.8
63.85064	0.4
64.14892	0.6
69.07065	3.1
70.06612	6.0
72.08160	66.7
74.06065	0.6
76.05129	1.9
84.08136	2.9
86.09709	100.0
96.05623	0.6
116.07095	11.9
118.08654	0.7
118.37098	0.6
122.67114	0.5
129.10229	2.1
130.06511	0.6
161.05629	0.5
161.82278	0.6
171.14929	18.9
173.12857	7.6
181.95683	0.5
199.14404	17.6
199.18048	14.8
201.12408	1.3
203.13925	5.8
203.61935	0.5
205.28252	0.5
217.15373	0.6
227.17545	16.6
262.00006	0.5
263.99271	0.6
316.22202	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	316.2844
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
52.52386	2.2
53.64667	2.2
54.81612	2.3
55.05515	39.2
56.66134	2.5
57.03440	2.8
57.07082	63.2
67.05508	54.2
67.34251	2.7
69.07070	73.3
71.08633	88.6
73.06523	2.7
77.92197	2.9
79.05466	10.1
81.06612	5.4
81.07059	100.0
83.04963	3.2
83.08626	63.1
85.06526	5.2
85.10179	31.2
91.05482	4.5
93.07041	20.2
95.08608	89.6
97.06510	6.5
97.10173	64.3
105.07005	11.0
107.08597	19.7
109.06543	4.9
109.10159	59.5
111.08061	6.8
111.11703	25.2
119.08561	21.6
121.10147	12.8
123.08073	3.9
123.11686	33.7
125.09627	4.1
125.13254	5.7
133.10107	22.5
135.11722	4.8
137.09612	4.8
137.13271	5.4
139.11179	6.7
141.12735	21.1
147.11691	22.0
149.13268	6.1
150.08383	2.8
151.11153	6.4
155.14316	12.6
157.47858	2.7
161.13266	7.0
163.14815	2.9
165.12694	4.1
165.16322	3.3
170.63795	2.7
179.14323	5.3
179.17836	4.4
193.15851	4.8
235.24263	3.1
245.22604	33.9
253.25380	4.8
257.34967	3.3
263.23694	46.0
280.26337	27.6
281.24628	23.5
298.27411	69.7
299.25803	61.1
316.28622	4.0
335.21680	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	317.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00027	0.2
57.72625	0.2
61.79081	0.2
89.53639	0.2
103.85216	0.2
106.08687	0.2
121.02876	1.2
123.04408	0.4
125.02396	0.2
129.48413	0.2
135.11949	0.2
137.02354	2.1
143.37199	0.3
145.59625	0.2
149.02342	0.3
151.03876	0.4
163.03978	0.2
167.03386	3.0
179.03424	1.9
180.04085	0.2
192.05318	0.2
197.04462	0.9
215.07025	0.9
219.03044	0.2
233.08104	0.3
237.94147	0.2
243.06505	3.5
261.07574	0.4
271.06012	3.3
274.04626	1.3
288.06277	1.0
289.07123	0.2
299.05478	1.2
299.23236	0.2
300.21579	0.2
302.04190	3.3
317.06561	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02102	0.3
56.18358	0.3
70.29731	0.3
81.03422	2.9
81.07056	0.4
83.08633	0.4
89.68179	0.3
92.13103	0.3
95.04972	1.4
95.08627	0.4
99.33397	0.3
99.41469	0.3
99.46633	0.3
101.09087	0.3
111.00755	0.4
118.55189	0.3
129.96935	0.4
137.05977	0.6
139.03922	1.7
147.44270	0.3
151.03867	0.6
153.01814	5.1
157.10092	0.5
165.01785	0.7
175.11128	0.4
187.86055	0.3
193.12312	2.2
209.67755	0.3
218.05930	0.4
228.04152	0.6
229.04929	1.7
243.06694	0.4
246.05258	1.3
257.04453	3.3
260.02969	0.4
261.07446	0.6
267.15659	0.5
270.21347	0.4
271.06036	0.5
274.04736	4.8
285.03973	6.5
285.16971	0.8
302.04199	27.2
317.06558	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02102	0.3
56.18358	0.3
70.29731	0.3
81.03422	2.9
81.07056	0.4
83.08633	0.4
89.68179	0.3
92.13103	0.3
95.04972	1.4
95.08627	0.4
99.33397	0.3
99.41469	0.3
99.46633	0.3
101.09087	0.3
111.00755	0.4
118.55189	0.3
129.96935	0.4
137.05977	0.6
139.03922	1.7
147.44270	0.3
151.03867	0.6
153.01814	5.1
157.10092	0.5
165.01785	0.7
175.11128	0.4
187.86055	0.3
193.12312	2.2
209.67755	0.3
218.05930	0.4
228.04152	0.6
229.04929	1.7
243.06694	0.4
246.05258	1.3
257.04453	3.3
260.02969	0.4
261.07446	0.6
267.15659	0.5
270.21347	0.4
271.06036	0.5
274.04736	4.8
285.03973	6.5
285.16971	0.8
302.04199	27.2
317.06558	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22124	0.2
71.32095	0.3
78.29372	0.2
92.21301	1.5
93.03387	0.4
109.02853	0.6
116.07046	0.4
121.02871	0.6
124.07582	1.3
139.03896	1.6
151.03897	1.2
153.01828	5.6
163.03844	0.4
165.01764	1.1
183.02863	0.4
202.81740	0.3
228.04297	0.4
229.02948	0.3
229.04958	3.3
229.09731	0.3
239.08038	0.3
246.05177	1.2
257.04413	2.9
261.07458	0.4
273.03937	1.4
274.04688	6.3
284.03143	0.5
285.03940	8.3
301.99103	0.4
302.00665	0.6
302.04202	29.6
317.06549	100.0
317.18823	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	317.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02707	0.4
52.58348	0.4
81.04592	0.5
81.07066	0.7
93.03418	0.7
99.31805	0.5
102.58605	0.5
139.03905	2.4
151.03931	0.9
153.01842	4.9
165.01814	0.8
187.99684	0.5
228.04137	0.6
229.04887	2.7
246.05238	0.7
257.04410	3.4
271.06091	0.6
273.03909	0.7
274.04785	6.6
284.03040	0.6
285.03940	8.3
288.06146	0.6
302.04196	32.5
305.72696	0.6
317.06546	100.0
317.19171	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	317.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11272	2.2
56.05018	2.6
56.93647	2.2
67.34891	2.3
70.06582	12.8
72.08175	3.6
75.05601	3.3
83.06112	2.6
84.04505	5.6
84.08145	11.9
85.02924	2.9
86.09718	60.2
87.05605	6.8
90.05552	5.5
102.61665	2.4
103.45988	2.9
103.46815	2.6
109.06514	17.4
112.05080	5.2
114.06667	10.1
116.07123	3.5
129.10197	11.6
132.10266	10.8
137.05998	6.9
141.06573	33.6
141.10239	5.0
144.06523	4.6
146.03818	4.3
152.03459	5.5
155.07034	29.2
155.11765	3.5
158.09267	11.0
166.08614	4.2
169.06046	21.8
182.03853	6.0
183.11263	3.4
184.10829	2.9
186.08698	45.0
191.07520	3.3
200.04869	18.8
200.13963	6.4
210.03287	6.9
212.09192	6.5
215.07611	12.9
221.63194	3.2
228.04384	16.7
228.13376	10.5
254.14961	15.2
285.15527	3.4
289.34659	3.3
299.17056	3.4
300.15479	12.9
314.11850	3.7
317.09451	100.0
317.17746	20.2
317.21600	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	317.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
64.97573	0.7
69.07074	1.0
70.06604	0.9
72.08142	2.2
73.74412	1.0
79.15349	0.8
81.07079	0.9
84.08154	1.6
85.02902	1.2
86.09704	21.3
87.10041	9.8
109.06512	1.3
110.06124	1.0
110.07201	1.3
116.07083	1.5
117.07390	1.2
129.10278	1.6
136.07587	3.5
136.74500	0.9
137.05994	4.2
137.07089	1.0
148.03958	1.4
154.68402	1.1
155.10699	1.0
174.07953	1.6
175.08679	4.9
184.07602	3.4
186.09270	1.4
187.12450	2.0
198.09116	9.2
200.09424	1.6
200.18440	3.6
201.10265	9.2
211.08728	0.9
212.07123	1.7
215.08147	0.8
215.11786	26.4
225.10303	4.2
226.08688	6.0
227.08203	5.5
228.08740	2.0
228.17891	3.9
229.09705	32.4
239.08083	3.1
242.10677	1.3
243.11263	70.0
245.09294	4.1
253.09811	6.5
257.09222	16.1
271.10757	100.0
273.12482	4.0
281.09253	6.8
287.10345	4.3
289.11908	2.1
297.36572	0.9
299.10217	20.7
299.13333	1.1
317.11404	64.9
317.15515	2.9
335.12317	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	317.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45634	0.4
51.85432	0.5
60.04523	1.0
70.06603	4.1
71.06932	0.7
72.08143	2.2
77.83773	0.6
84.08146	2.7
86.09713	5.6
87.05570	0.5
87.10030	0.9
102.05567	1.0
103.73295	0.7
112.05050	0.7
116.07102	5.1
116.86191	0.6
117.07426	2.3
129.10252	2.6
143.03101	0.7
143.11786	0.7
147.07626	2.3
155.06786	7.5
173.12804	1.2
174.13199	1.3
185.02811	0.5
185.04143	3.9
203.05258	9.9
246.70320	0.6
317.12067	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03440	0.7
69.07079	0.6
70.02995	0.6
70.06608	1.3
72.08144	5.0
75.05629	0.8
77.67254	0.6
83.05704	0.6
83.06104	5.8
84.04507	9.2
84.08152	5.5
84.84402	0.7
85.02911	1.4
85.06644	0.6
86.09711	45.2
87.05616	3.1
90.05574	0.8
96.04530	1.2
97.02923	1.3
99.05607	1.5
100.10171	0.6
101.07150	4.8
106.52736	0.7
109.05833	0.8
109.06548	3.9
113.07140	1.5
114.06717	0.9
116.07117	3.0
117.07472	0.8
119.01973	1.3
120.08084	1.1
124.03999	3.0
125.92340	0.6
126.06670	0.8
129.10300	3.6
132.10210	8.0
137.06058	4.2
138.06894	0.6
140.08183	6.6
141.06616	8.5
141.10226	1.0
143.11830	4.4
144.08173	1.4
145.46465	0.6
152.03479	0.8
155.07033	10.2
155.08133	1.5
158.09315	4.3
161.03017	1.3
166.08649	2.3
168.07785	3.1
169.06094	5.1
173.06686	4.0
182.03920	1.1
184.10997	0.9
186.08736	11.7
189.12337	5.0
191.07686	8.8
197.06689	1.5
200.14012	1.3
203.14078	0.7
210.03392	1.5
212.09317	0.9
215.07632	19.6
227.07762	1.5
228.04411	0.8
228.13411	2.1
233.08827	2.3
239.07915	0.7
239.65807	0.8
242.15056	1.4
245.08873	2.6
254.15154	2.9
257.08951	1.0
282.14548	0.8
283.12888	0.8
299.17093	8.2
300.15747	3.9
317.12137	100.0
317.18451	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	317.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17536	0.5
60.04519	0.6
64.86517	0.5
66.11758	0.5
70.06582	2.4
71.06892	0.7
79.53887	0.5
85.02874	0.6
86.09714	6.3
87.10011	1.0
116.07098	3.1
150.06366	0.6
155.06812	8.4
173.12886	1.1
174.13284	1.3
185.04163	6.5
200.18364	0.6
203.05278	5.3
302.04703	0.6
317.12073	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1211
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00460	0.8
66.17883	0.7
69.03424	4.6
69.06750	1.3
69.07077	20.3
70.06591	2.3
72.08170	7.9
73.08511	1.1
81.03402	1.2
84.08158	1.1
85.02911	1.8
86.09708	10.1
87.08106	1.2
87.10034	2.0
98.46655	0.9
99.04452	1.6
107.76009	0.8
109.02916	1.2
109.06491	1.6
113.09657	1.1
115.07561	7.1
116.07106	7.0
117.07444	2.3
120.08089	2.2
123.08086	0.9
127.03954	1.2
137.06009	1.0
137.07068	1.6
149.02020	1.1
155.06958	1.3
155.08116	1.7
171.02943	1.3
171.14877	1.1
172.15318	1.0
173.12845	2.3
174.13182	1.2
223.79695	1.0
243.11436	1.0
271.10721	2.2
272.40283	1.0
283.11081	1.1
299.11145	1.4
317.06613	2.7
317.12088	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86238	0.5
60.04518	0.6
70.06591	1.1
75.29485	0.5
84.04478	0.7
84.08176	1.9
86.09702	3.9
116.07101	3.0
117.07400	1.4
124.05064	0.7
129.10245	1.1
143.03186	0.7
155.06786	8.0
185.04178	4.6
203.05254	8.6
213.96945	0.6
225.21196	0.6
294.24774	0.7
317.12054	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03471	6.9
56.05052	14.2
57.03431	1.2
58.06607	36.6
60.17498	1.3
69.07087	1.9
70.06603	1.9
75.08130	1.2
81.07060	1.7
82.02949	58.1
82.06573	6.7
84.04514	12.9
86.06075	1.9
86.09708	98.6
92.21450	1.8
93.84089	1.3
98.06047	35.5
102.05533	2.1
110.02395	6.2
112.07614	1.8
112.11254	6.2
114.05531	61.7
116.07076	1.4
126.12779	7.1
128.03432	13.0
130.08603	1.9
131.08556	1.8
132.10202	100.0
137.13211	1.7
140.07060	3.4
142.05000	78.6
142.08652	7.0
144.06508	1.7
144.10187	2.0
158.08099	13.9
158.11748	7.2
167.11790	19.2
169.13326	10.3
170.11751	15.6
172.09669	2.2
183.14925	7.3
197.04483	1.6
211.14412	10.5
213.12347	8.9
215.13910	7.7
216.12323	7.0
227.13899	15.6
241.11916	1.8
257.12274	2.2
257.14944	55.5
271.16516	7.3
273.14438	56.9
296.57181	1.6
302.04260	3.4
317.06558	75.9
317.17053	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	317.2087
Annotation	ISOSTEVIOL
Peak:m/z	Relative Intensity
55.00809	1.4
58.16734	1.4
60.04516	1.6
61.78331	1.4
69.07072	2.2
81.48991	1.4
83.08624	1.8
84.02007	1.6
86.06116	1.6
95.08605	1.8
102.19716	1.4
121.34067	1.5
140.37668	1.8
155.07016	2.9
255.25169	12.5
264.23999	1.9
271.40988	2.0
316.25238	1.6
317.20892	100.0
317.24286	3.3
317.28796	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	317.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	8.4
57.03425	1.1
57.07094	1.6
58.06606	5.5
59.06940	1.2
60.04536	1.2
60.05649	1.3
68.05008	1.3
69.07060	1.6
70.06615	1.1
72.04510	2.3
72.08130	1.2
74.02447	5.6
74.06078	4.6
76.05126	7.2
84.04514	1.2
86.07188	1.2
86.09710	24.1
87.10025	10.2
89.07163	1.2
90.83133	1.1
92.20941	1.6
93.09773	1.1
95.08604	1.2
96.05629	1.8
97.02881	1.5
99.08072	2.7
99.77616	1.2
102.05552	8.1
106.06467	1.1
107.04980	4.5
108.05312	6.4
108.08099	1.7
109.05579	1.2
110.07159	18.6
111.07993	1.1
112.08700	2.2
114.06605	1.4
116.08163	2.2
118.05034	1.4
121.10020	1.1
125.10753	31.4
126.12794	1.6
137.09673	1.3
141.12782	5.2
144.06580	9.4
152.11833	18.5
157.13383	4.9
158.13699	8.4
160.07130	2.0
161.09216	5.2
166.13397	5.9
168.13823	29.0
168.15018	2.5
184.14447	78.8
185.12828	2.6
186.13159	4.9
198.87047	1.1
211.65930	1.3
216.17140	8.6
240.17017	2.4
259.17410	2.2
272.12476	2.2
285.16086	2.7
285.19205	43.2
317.18127	38.8
317.21841	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	317.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05047	4.3
60.05643	1.1
63.67254	0.7
69.04561	18.1
71.04999	7.8
72.04531	1.7
74.02438	6.5
74.06084	6.4
78.98548	0.8
96.05613	27.2
98.09721	1.1
99.07931	0.8
100.11258	1.7
102.05555	6.3
109.10176	1.2
116.08217	10.4
116.10745	14.0
118.05016	1.9
118.06100	0.9
120.06538	0.8
124.11275	1.4
126.12794	4.5
128.08192	7.2
135.07646	1.9
141.12831	1.3
142.09795	4.8
142.12318	1.2
152.87592	0.8
166.13383	9.5
166.15842	0.9
167.14061	1.4
168.14969	5.1
176.55852	0.8
184.14444	93.6
184.90483	0.9
191.26385	0.8
192.14946	0.8
198.15970	1.2
200.12849	1.1
216.17111	10.9
240.17004	4.0
245.58443	0.9
268.16620	8.9
285.16656	1.0
285.19202	68.4
317.21832	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	317.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	5.4
59.05032	0.9
60.85754	0.6
61.20157	0.8
67.05501	4.1
69.04565	9.5
69.07091	0.8
71.04989	6.8
72.04504	2.0
74.02444	3.5
74.06080	4.7
76.05131	6.6
86.03560	1.1
87.05782	0.8
96.05614	18.8
99.07973	1.2
102.05530	4.1
104.21655	0.8
109.10145	4.5
110.07140	1.2
113.09481	1.2
114.06668	0.8
116.08195	4.6
116.10717	5.3
118.05003	3.9
120.06544	1.5
126.12809	1.1
128.08180	4.9
130.12262	4.2
138.52211	0.7
141.12758	17.7
142.09738	3.6
160.07135	4.2
166.13371	5.5
168.14975	4.1
172.27458	0.9
177.09865	1.6
184.14441	46.8
190.60748	0.8
198.16022	9.8
200.12794	1.4
200.51379	0.7
216.17052	10.1
240.16968	1.9
248.45615	0.8
258.48578	0.9
258.56332	0.8
268.16571	3.2
285.19199	26.1
299.20761	7.8
317.21826	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	6.2
60.05645	4.1
67.05489	1.9
69.04553	13.3
71.04996	9.1
72.04496	1.3
74.02438	3.6
74.06086	7.7
96.05619	21.4
98.09679	1.4
99.07980	1.6
99.18659	0.8
100.11242	4.3
102.05546	4.2
109.10152	3.3
110.07188	4.6
113.09521	3.7
116.08195	7.4
116.10722	12.1
120.06556	2.0
120.57211	0.8
126.12784	3.9
128.08243	4.4
141.12726	3.6
142.09769	4.9
166.13419	5.0
168.14961	5.1
184.14444	74.5
186.92651	0.9
200.12863	2.0
216.17026	9.2
221.14815	1.0
240.17043	3.7
249.14323	1.1
259.16415	1.4
267.15341	2.1
268.16583	7.5
285.16309	3.3
285.19156	45.0
299.18054	4.6
305.10474	0.9
317.19058	5.1
317.21844	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55467	0.4
51.85812	0.4
56.05038	1.0
60.15111	0.4
61.02953	0.7
69.03395	0.5
69.07057	0.8
70.06572	1.0
72.08158	4.1
73.02950	0.6
74.85865	0.5
75.05601	1.0
75.06457	0.5
78.05444	0.5
83.06083	0.8
84.04485	1.3
84.08147	97.2
85.02919	2.2
85.06566	0.5
86.09705	22.6
97.02926	0.6
98.94370	0.5
101.10786	6.9
102.09168	0.9
111.09195	0.6
112.07578	2.1
118.08635	0.7
119.01892	0.8
127.08739	1.1
129.10240	100.0
130.04961	2.4
130.08640	3.0
133.06065	2.2
139.08728	0.7
140.07121	0.7
141.10207	2.7
143.11795	6.0
147.07649	2.9
147.11301	3.5
152.14304	0.9
155.08012	0.7
157.13354	3.0
164.02571	0.6
169.09717	2.7
170.04492	1.0
185.12837	0.9
186.12370	9.3
187.07178	0.7
189.12363	2.6
191.07558	0.7
197.16493	6.7
197.18060	0.8
200.10292	0.6
200.81137	0.6
204.09846	2.0
204.13437	1.2
206.07169	0.6
213.07939	0.6
214.19084	0.7
215.07634	4.2
220.06837	0.8
224.17616	1.9
225.16051	0.9
242.18604	2.2
282.18100	0.8
299.17029	0.7
300.18985	0.8
310.64182	0.5
317.11606	9.9
317.18851	2.4
317.21823	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	317.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22176	0.3
55.05525	0.4
55.09813	0.3
59.74860	0.3
66.83543	0.3
67.05499	0.5
68.74744	0.3
69.07077	1.8
70.06600	13.8
70.76601	0.3
73.34107	0.4
79.05482	0.8
81.07061	2.1
83.08616	2.0
88.07633	100.0
88.67537	0.4
93.07071	0.7
95.08601	0.8
97.06503	0.4
100.22427	0.4
104.84440	0.4
105.07024	0.4
106.08669	15.6
107.08611	0.8
109.10170	0.4
111.08099	0.7
114.09196	0.5
121.10135	0.6
149.13264	5.5
164.25676	0.3
166.15906	6.1
167.14297	1.5
184.16934	0.7
189.78459	0.4
212.16428	7.6
238.17961	1.9
255.20016	0.4
256.19052	10.0
257.17487	0.6
276.45096	0.4
286.40982	0.4
299.23270	3.9
300.21777	1.9
302.04251	1.5
313.21497	0.5
317.06616	9.3
317.10291	0.8
317.24368	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	317.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41643	0.8
55.05514	1.5
69.07061	5.3
71.04995	4.0
77.18452	0.9
81.07045	6.9
83.08626	1.9
84.17242	1.2
86.74983	1.0
91.05463	1.8
93.07027	1.9
95.04952	1.2
95.08604	9.4
97.06517	1.2
97.10181	1.4
99.08077	1.1
105.07016	5.8
107.08598	8.5
109.10168	8.4
117.07034	2.4
119.08587	5.7
121.02868	1.9
121.10120	5.5
123.11684	4.9
125.09586	1.8
127.11175	10.0
131.08582	5.5
132.07108	1.0
133.10118	9.3
135.08073	1.3
135.11665	1.8
136.54625	1.0
143.08583	2.5
145.10141	10.2
147.11703	8.4
149.09616	1.8
152.76411	1.1
157.10100	2.4
159.11659	10.3
161.13232	4.1
167.07034	10.0
171.11697	6.6
173.13231	4.4
175.14822	2.1
179.03406	4.6
183.11734	2.5
185.13274	4.4
187.14763	5.2
189.12602	1.4
197.13263	1.7
199.14848	1.1
201.16409	4.3
204.61203	1.4
211.14780	1.6
213.16415	14.2
215.17987	2.3
218.25143	1.0
225.16417	4.3
227.17947	2.0
228.04124	1.6
231.17447	1.7
243.06566	2.5
271.06000	100.0
271.24283	1.3
273.22052	4.0
281.22665	5.7
299.23660	24.2
301.45865	1.2
317.06619	11.2
317.21393	1.6
317.24802	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	318.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11181	0.3
54.96214	0.3
61.02912	0.4
62.90375	0.4
69.03426	0.6
69.14778	0.4
71.04998	0.6
72.02389	0.4
73.02902	0.9
81.00623	0.4
81.03413	1.9
82.99833	0.7
85.02894	2.1
87.36814	0.3
96.29248	0.4
97.02883	1.0
99.04437	1.0
101.00874	2.5
109.02894	4.1
111.20000	0.4
116.69436	0.4
119.01915	10.0
127.02440	0.5
127.03957	0.9
131.01878	1.5
133.03458	5.3
135.26738	0.4
137.02969	2.0
139.02463	0.8
141.00313	0.4
143.01888	8.7
145.03477	3.7
151.04514	0.7
156.03682	1.0
157.03459	19.1
159.01387	2.9
159.05037	0.7
160.02190	0.8
160.84331	0.4
161.02939	19.2
163.04530	0.8
167.01915	1.9
168.03632	0.8
169.03447	1.9
171.05025	1.6
173.02892	0.9
175.04509	13.5
179.03958	0.8
181.03366	0.6
183.05006	3.2
185.02940	13.8
187.04517	5.3
189.06041	2.5
199.04503	6.5
201.06061	5.0
203.04002	11.6
205.05547	0.7
215.04085	0.5
217.05580	6.8
221.05016	1.5
221.06816	1.7
227.04004	2.1
230.07283	2.0
245.05045	4.3
250.59331	0.4
259.06659	5.8
277.04575	1.0
277.07669	48.2
295.08725	100.0
318.09613	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	318.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11181	0.3
54.96214	0.3
61.02912	0.4
62.90375	0.4
69.03426	0.6
69.14778	0.4
71.04998	0.6
72.02389	0.4
73.02902	0.9
81.00623	0.4
81.03413	1.9
82.99833	0.7
85.02894	2.1
87.36814	0.3
96.29248	0.4
97.02883	1.0
99.04437	1.0
101.00874	2.5
109.02894	4.1
111.20000	0.4
116.69436	0.4
119.01915	10.0
127.02440	0.5
127.03957	0.9
131.01878	1.5
133.03458	5.3
135.26738	0.4
137.02969	2.0
139.02463	0.8
141.00313	0.4
143.01888	8.7
145.03477	3.7
151.04514	0.7
156.03682	1.0
157.03459	19.1
159.01387	2.9
159.05037	0.7
160.02190	0.8
160.84331	0.4
161.02939	19.2
163.04530	0.8
167.01915	1.9
168.03632	0.8
169.03447	1.9
171.05025	1.6
173.02892	0.9
175.04509	13.5
179.03958	0.8
181.03366	0.6
183.05006	3.2
185.02940	13.8
187.04517	5.3
189.06041	2.5
199.04503	6.5
201.06061	5.0
203.04002	11.6
205.05547	0.7
215.04085	0.5
217.05580	6.8
221.05016	1.5
221.06816	1.7
227.04004	2.1
230.07283	2.0
245.05045	4.3
250.59331	0.4
259.06659	5.8
277.04575	1.0
277.07669	48.2
295.08725	100.0
318.09613	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	318.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29057	1.3
54.46473	1.4
55.13145	1.2
56.05047	2.7
57.03438	2.1
61.02929	8.1
69.03426	12.4
70.06605	13.2
71.04982	2.0
72.08160	49.6
72.89035	1.4
73.02935	2.7
74.06089	18.9
81.03419	9.3
84.04510	23.2
84.08150	2.7
85.02912	100.0
86.09708	35.4
87.04450	1.6
91.03960	9.4
97.02892	26.0
99.04481	6.0
101.07122	2.0
102.05547	3.0
109.02883	6.5
113.07133	1.7
115.03941	1.7
116.07096	3.7
118.08675	6.2
120.08085	15.9
121.02869	6.5
121.06509	94.0
127.03916	27.5
128.10715	9.2
129.10228	7.3
132.10175	15.6
132.47491	1.5
138.07500	1.5
138.09131	2.5
139.03931	13.7
141.06589	6.4
143.11807	7.2
144.06604	2.6
145.04968	36.7
145.06512	2.8
145.80913	1.7
157.07610	2.9
158.05908	1.9
159.07903	2.9
162.07620	6.8
163.06026	10.3
166.08627	7.6
169.06108	2.2
173.12865	20.8
179.06979	1.8
180.08690	3.4
187.07466	23.5
189.12341	1.8
201.12341	26.5
205.08629	19.0
219.13394	9.6
229.08562	9.4
231.11328	2.7
234.48488	1.8
247.09691	9.4
254.14914	2.4
265.10721	11.4
277.11768	8.8
295.08658	3.0
300.15625	2.3
300.18683	1.8
318.11670	2.4
318.14993	3.8
318.20105	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	318.181
Annotation	Ile Trp
Peak:m/z	Relative Intensity
53.99530	0.4
67.29227	0.4
68.41129	0.4
69.07072	9.1
72.72548	0.4
86.09706	100.0
89.12294	0.4
95.69905	0.4
118.06528	0.6
130.06531	1.9
131.39211	0.5
132.08084	0.5
141.10231	2.3
144.08073	0.6
146.06007	9.7
159.09142	3.2
170.05974	0.7
188.07060	57.3
205.09718	28.5
219.08740	0.5
268.69656	0.4
318.18121	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	318.181
Annotation	Ile Trp
Peak:m/z	Relative Intensity
56.53192	0.4
59.50028	0.4
64.08246	0.4
70.95168	0.4
86.09708	99.8
95.06100	0.9
113.10762	1.0
118.06518	2.1
120.08099	0.9
130.06532	3.2
132.08105	2.7
141.10214	5.2
144.08066	3.6
146.06003	18.7
159.09161	7.9
170.06082	1.9
170.11774	0.5
188.07062	100.0
205.09723	38.5
205.11765	0.8
272.17508	1.0
300.17050	0.7
301.15549	0.7
303.04492	1.0
318.06873	3.7
318.18103	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	318.1811
Annotation	Trp Leu
Peak:m/z	Relative Intensity
52.14930	0.4
54.00247	0.5
59.09840	0.4
69.07074	0.9
69.97885	0.4
71.48748	0.4
74.02438	4.0
79.74503	0.5
80.04976	0.4
86.09708	9.2
97.16171	0.5
112.07624	0.6
117.05856	0.6
130.06532	18.7
130.08614	3.0
132.08095	29.8
141.10226	0.9
142.06543	1.2
144.06927	0.9
144.08090	34.0
159.09171	100.0
160.07552	3.3
164.25822	0.5
170.06000	20.8
172.07567	0.8
182.68694	0.5
188.07065	0.8
224.81006	0.6
234.33878	0.5
243.53075	0.5
244.59935	0.6
245.15419	0.5
273.16129	0.7
286.17792	0.7
301.15457	45.4
318.07007	0.7
318.17996	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	318.2022
Annotation	Ile Ser Val
Peak:m/z	Relative Intensity
50.38295	0.4
51.60080	0.4
55.05505	0.6
58.21392	0.4
60.04531	11.8
69.07064	5.8
69.07350	0.4
70.06593	0.9
72.08154	8.5
73.41082	0.4
78.29989	0.6
79.59835	0.5
86.09709	100.0
87.05591	3.2
92.02609	0.5
96.07787	0.5
105.06619	1.0
118.08659	12.6
120.08097	1.1
125.10773	0.5
128.10736	4.1
136.06238	2.2
155.11769	0.5
156.10063	0.5
159.11288	12.0
170.97153	0.6
173.12849	32.4
187.10805	2.5
201.12340	30.8
205.11823	23.0
205.13721	0.8
300.19101	0.9
318.20184	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	318.2022
Annotation	Leu-Val-Ser
Peak:m/z	Relative Intensity
51.43949	0.9
52.26390	1.1
52.86880	1.1
53.78031	1.0
55.05510	2.7
55.52464	1.0
57.84953	1.1
58.05719	0.9
60.04531	21.0
72.08160	83.1
76.05136	2.9
81.37081	1.2
84.08147	4.7
84.92828	1.0
86.09707	22.1
87.04459	1.7
87.05592	14.7
89.50683	1.5
91.05502	1.4
114.09183	20.1
120.08112	2.4
129.10248	6.1
130.10526	1.3
132.10216	14.4
159.11285	100.0
173.12813	10.0
187.10782	54.8
207.02748	1.7
219.13425	13.4
233.51770	1.4
286.17786	1.5
300.19058	2.0
318.20313	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	318.2023
Annotation	Leu-Val-Ser
Peak:m/z	Relative Intensity
55.05518	2.4
59.11769	0.4
60.46376	0.4
69.07072	2.0
70.06588	3.4
72.08157	45.1
75.05617	0.8
81.51514	0.4
82.45256	0.5
84.04495	3.7
84.08118	0.5
86.09708	100.0
87.10019	0.8
88.03988	3.7
90.05572	0.8
96.08153	0.4
99.88086	0.4
101.01716	4.0
102.05547	2.7
103.07275	0.4
116.07045	0.6
130.04976	3.6
130.08708	0.9
131.56010	0.4
141.06604	0.8
141.10228	4.1
142.08653	0.5
143.10683	0.6
143.11787	11.0
148.06052	7.3
155.11694	0.6
156.10228	4.9
156.12233	0.5
167.94504	0.5
171.11292	3.8
183.11324	0.7
184.09641	0.7
185.14847	1.1
185.16483	23.0
197.12909	2.0
201.12343	26.9
201.14110	1.3
213.15973	23.2
215.13910	0.9
219.13428	3.4
225.12308	1.8
229.11781	10.0
229.13689	1.1
272.16769	0.4
295.08728	1.8
300.15842	0.6
300.19055	3.1
301.16080	0.5
318.07535	0.9
318.16614	1.0
318.20221	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	318.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22038	0.7
52.66861	0.7
55.05518	1.1
57.07071	1.0
60.56151	0.7
62.06093	81.9
67.05497	5.8
69.07060	1.7
79.05479	6.4
79.10938	0.7
81.07050	7.6
83.08626	1.3
91.05472	8.5
93.07034	6.6
95.08606	6.0
105.07039	11.2
107.08599	6.5
109.10122	1.1
117.07015	8.2
119.08587	13.5
121.10140	3.7
129.06992	2.2
130.08601	6.5
131.08560	17.6
131.60977	0.9
133.10136	10.4
135.11703	3.4
141.07011	1.6
143.08525	1.6
144.10222	1.7
145.10133	17.1
147.11681	9.1
149.09602	1.5
155.08524	1.7
157.10176	6.6
159.11682	16.9
161.13280	6.7
163.11102	1.1
169.10118	6.1
171.11708	6.5
173.09697	2.0
173.13225	23.0
177.12775	1.2
183.11694	6.2
187.11148	4.1
187.14847	1.4
197.13190	4.1
201.12703	4.8
210.15099	1.0
213.16403	4.6
215.14484	1.3
215.17955	23.0
219.48264	0.9
224.16295	1.2
229.19501	4.2
238.18132	1.2
239.17908	11.1
257.18967	22.7
262.21753	1.0
300.23242	1.6
318.07065	6.3
318.24255	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23450	0.7
50.33585	0.7
54.63372	0.8
55.05524	1.6
59.71152	0.9
67.05501	5.7
68.78855	0.9
69.07073	5.0
73.70528	0.8
73.70968	0.8
77.73486	0.8
79.05487	5.0
81.07056	13.0
83.04945	1.1
83.08636	2.2
86.06072	1.1
91.05472	5.7
93.07036	10.8
95.08601	8.0
97.06519	1.8
100.07618	1.1
103.87748	1.0
105.07020	7.4
107.08600	6.7
109.10151	1.3
110.34410	0.9
117.06976	1.8
119.08575	6.0
120.08103	4.3
121.10149	6.0
123.08057	0.9
125.09644	1.2
131.08562	8.5
133.10127	5.4
134.09662	1.9
135.08026	1.5
135.11707	3.9
143.08542	2.2
145.10138	7.8
147.11688	5.5
149.13268	2.1
157.10110	1.9
159.11671	7.1
161.09598	1.6
161.13260	3.4
163.11322	0.9
171.11624	6.9
173.13228	4.7
175.11159	1.8
177.12643	1.2
185.13271	5.3
189.12746	5.8
199.14792	3.2
203.14456	1.4
206.15424	2.1
255.21169	1.1
259.20544	1.2
265.19507	1.6
273.22168	2.1
283.20508	5.2
300.23294	14.9
300.28836	1.4
301.21652	22.7
318.24274	100.0
318.30179	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	318.2998
Annotation	Phytosphingosine
Peak:m/z	Relative Intensity
53.76054	0.5
54.89582	0.5
57.07084	4.1
70.06274	0.7
70.06596	8.3
71.08625	2.7
73.68043	0.5
88.07127	0.9
88.07632	20.4
102.09181	13.3
108.43172	0.7
132.10193	0.9
143.91629	0.6
150.11237	0.8
158.17941	0.6
212.23714	1.1
256.26331	69.0
300.28986	4.6
318.30014	100.0
338.96628	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	318.3001
Annotation	Phytosphingosine
Peak:m/z	Relative Intensity
57.07065	3.9
58.06619	0.6
70.06596	8.9
71.08627	3.4
88.07633	26.5
88.74639	0.6
102.09182	13.1
127.41378	0.6
132.10193	1.2
137.23090	0.6
146.11754	1.0
150.12798	0.6
155.06059	0.7
212.23730	1.1
222.59731	0.6
256.26346	77.4
277.21484	1.0
300.28979	4.0
317.57465	0.6
318.24539	10.0
318.30011	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0787
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42672	3.0
51.85102	2.6
56.15057	3.0
56.91914	3.1
60.91969	3.4
61.44229	4.1
69.03440	3.8
81.03429	14.1
85.02881	4.8
94.93050	3.4
109.02901	20.2
119.01942	3.6
127.03726	3.9
158.03665	5.0
161.03024	6.3
202.85576	3.9
225.09590	3.8
245.33130	4.1
278.07846	25.0
295.08813	4.2
296.08868	53.7
319.04630	6.1
319.07904	100.0
319.12006	34.3
319.15643	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	319.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22100	3.3
55.32043	3.8
62.55384	4.1
70.06590	10.4
72.08157	26.2
75.24734	4.0
81.40757	3.5
84.04502	6.7
84.08140	7.6
86.09718	23.0
95.21449	3.6
95.64699	4.1
96.30855	4.0
110.07161	5.6
112.54791	4.6
118.08634	7.3
120.08108	10.1
121.70454	4.4
130.06551	10.1
130.08730	4.4
132.08087	10.9
132.95833	7.0
133.93877	4.3
139.07539	6.3
146.05986	7.0
153.46198	4.4
157.08623	5.9
158.05974	6.8
173.07109	60.2
188.01665	5.6
188.07097	22.0
202.12653	5.2
214.03090	5.8
216.06691	5.3
237.02928	5.4
259.07101	21.7
274.01746	5.4
283.11243	4.9
287.06732	8.4
298.23322	5.0
301.11832	7.6
302.01154	8.4
318.90466	4.6
319.03738	17.3
319.11472	100.0
319.18582	6.5
335.77515	4.5
337.07343	4.6
337.11621	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	319.1173
Annotation	Paeonilactone C
Peak:m/z	Relative Intensity
81.03415	1.2
84.19605	0.9
92.21515	2.2
95.04958	1.4
97.02897	1.2
105.07045	10.5
107.04941	1.9
109.02873	1.1
109.06521	6.0
115.05432	2.1
118.04154	4.2
119.04904	4.7
123.04424	41.3
125.02349	2.3
131.04912	4.0
133.02864	19.6
133.06487	99.6
134.03723	1.1
135.04404	1.2
137.05978	28.0
137.44949	1.0
139.03896	18.6
146.16492	1.1
147.04407	5.9
148.57106	1.1
149.43483	1.0
151.07497	7.5
152.04663	4.0
154.06270	1.0
161.05969	45.4
162.06744	2.4
165.05453	23.3
167.07022	100.0
174.23688	1.0
178.06180	1.4
179.07043	15.9
191.07042	6.4
193.08585	34.3
194.09312	1.2
195.10114	1.8
197.08080	47.6
213.09149	1.9
226.06261	1.1
227.07028	1.6
237.05444	1.2
238.43390	1.0
241.08539	9.3
254.05658	1.3
259.09601	1.1
269.08035	13.9
273.07553	9.5
273.11081	1.9
301.10678	23.5
302.12952	1.0
319.11847	5.4
319.24139	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	319.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07475	0.5
53.15651	0.4
62.09108	0.5
65.48040	0.3
66.14661	0.4
70.06593	0.6
73.37970	0.3
77.54668	0.4
83.05518	0.4
84.04469	0.5
86.09708	5.5
87.10017	3.2
99.98913	0.4
118.53318	0.4
122.65088	0.4
140.95821	0.4
146.85863	0.5
157.04979	1.6
157.08344	3.0
159.09116	0.4
166.59529	0.4
190.12694	0.6
192.59274	0.4
208.44484	0.5
241.09564	0.6
319.08124	5.7
319.13611	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.7
56.05051	0.7
60.05660	0.7
61.01892	0.6
69.07047	0.9
70.02951	0.8
70.06586	2.8
72.08161	9.2
73.08485	3.7
76.05130	1.7
80.24803	0.6
84.04497	0.9
85.02892	0.9
86.06081	1.7
86.09705	17.9
87.05585	5.7
87.10043	8.0
100.66724	0.7
101.01727	1.4
102.05553	1.2
106.26335	0.7
109.02825	0.7
110.07190	0.7
115.03960	1.3
125.02348	1.3
125.93576	0.6
130.05070	0.9
130.06525	17.4
132.08102	25.5
133.06093	3.3
143.11693	0.9
144.08092	5.1
144.12148	1.7
148.06087	1.3
157.04967	1.6
158.97397	3.5
159.09175	100.0
160.07582	4.4
170.05995	56.1
180.07695	0.7
185.16451	1.3
186.16830	3.3
187.08716	5.6
195.65639	0.8
196.07123	1.1
198.08885	0.8
202.12683	2.6
202.16296	0.8
213.16261	1.1
214.16319	3.9
216.97916	2.7
230.11394	4.0
234.99010	20.8
239.08134	0.8
243.07626	3.3
244.08182	1.0
249.52864	0.8
285.08749	8.3
287.10583	0.8
287.13470	4.3
289.03720	0.9
302.11349	39.2
319.04605	5.5
319.07919	7.5
319.13553	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	319.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	1.0
60.05663	1.2
70.06611	1.1
76.98637	0.6
78.79073	0.5
80.56252	0.5
82.75526	0.6
82.84171	0.6
83.06089	1.3
86.02055	0.7
87.05578	0.7
95.06097	0.8
111.05565	4.8
113.07127	2.9
122.25712	0.6
127.07443	0.9
132.04477	5.0
134.06033	1.3
140.08211	3.2
150.05527	2.8
151.06104	1.4
165.06596	0.8
174.05667	0.7
187.08678	3.8
202.09673	1.0
230.09239	2.6
231.07648	20.1
233.09222	1.3
233.13957	10.1
257.10318	2.5
259.11893	37.3
260.10529	1.1
277.12955	98.6
284.11447	11.6
301.13824	0.8
302.12488	54.9
311.03674	0.7
319.15137	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.151
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	1.9
57.32624	0.5
60.05645	1.1
63.12993	0.7
63.85172	0.7
87.05582	3.1
111.05582	2.8
113.07127	1.5
130.06560	6.8
132.04442	6.2
132.08026	0.9
134.06013	3.4
140.08186	3.1
146.06013	3.2
150.05493	1.8
156.55997	0.8
159.09201	3.0
169.07590	0.8
187.08669	5.1
188.07062	11.5
202.09671	1.1
205.09772	1.2
230.09303	3.2
231.07634	22.0
233.09137	0.8
233.13937	7.9
234.12402	0.8
242.09183	1.0
243.07530	1.3
257.10284	1.0
259.11871	32.8
260.10291	1.4
277.12946	98.7
284.11511	10.5
285.08716	1.2
302.12479	50.9
304.36990	0.8
319.15125	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	8.9
58.04083	5.0
58.19788	1.1
59.56084	1.0
60.04514	3.2
60.05641	1.8
64.05521	1.3
65.96049	1.3
67.03076	1.3
68.05029	1.5
69.03483	1.3
70.06612	10.3
72.04522	34.0
72.08161	2.5
74.02425	1.9
74.05729	1.7
74.06085	24.5
76.04715	1.7
76.05132	41.5
83.04964	1.3
84.04534	1.4
84.08157	2.8
85.04053	2.4
86.09708	13.7
87.05582	1.6
98.06079	1.4
100.07655	2.7
100.11240	2.7
102.05538	3.1
102.06651	3.3
102.20264	1.3
110.07198	1.3
114.05527	6.6
116.08218	80.9
118.05017	75.4
120.06576	2.5
120.08104	2.6
130.05028	1.4
132.10193	2.0
135.07655	4.9
142.12297	2.0
144.06592	1.4
158.12834	2.7
159.11299	3.1
160.06004	2.5
160.07172	59.4
160.11598	2.4
167.11816	1.6
175.11932	2.5
175.82185	1.4
177.09862	10.9
182.10355	1.4
182.15445	5.6
185.12859	2.8
187.10966	1.4
198.14900	37.8
198.16672	2.0
200.13948	6.6
218.14996	7.5
219.10863	5.3
257.19666	15.9
259.87442	1.6
265.47974	1.4
277.13095	2.8
284.16083	2.2
301.18808	20.9
319.16022	3.9
319.19760	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	6.3
56.05034	23.3
63.29053	2.5
67.05515	3.8
67.19218	2.3
68.05013	2.6
68.75732	2.7
69.07053	3.6
70.06599	4.4
72.04510	15.1
72.08139	3.8
74.02413	4.4
74.06084	37.7
76.05132	38.6
77.98687	2.4
81.07069	5.6
83.08612	6.4
84.04516	4.5
84.08147	3.1
86.09705	16.7
93.07042	5.4
95.08572	2.6
98.03548	42.3
98.09693	87.2
99.10725	2.3
100.05099	5.9
100.11244	15.9
102.05528	19.4
110.07204	3.6
112.05089	90.6
116.08244	4.8
118.05000	19.9
120.06594	28.0
126.09166	11.3
129.10207	2.4
130.05069	3.0
130.97923	2.9
140.11829	4.4
144.10204	5.0
156.07704	2.9
158.12906	70.2
160.07155	19.8
163.72571	3.2
168.11324	100.0
168.13782	11.8
169.12090	53.0
170.12828	13.3
177.09831	40.4
182.15376	4.2
186.12364	38.4
198.14833	4.2
199.84831	3.3
244.64195	2.8
253.40898	2.7
287.17120	29.7
299.57785	2.7
301.18655	3.9
319.19708	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	319.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21863	1.1
50.86641	1.0
60.04520	1.2
65.46079	1.1
125.33287	1.4
130.20210	1.4
141.94441	1.1
150.81252	1.5
253.00441	1.4
271.28214	4.8
319.22424	100.0
319.30283	9.0
321.43430	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	319.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19022	0.6
166.37340	0.7
302.24942	3.6
319.23590	100.0
319.27057	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	319.284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.4
55.22119	1.2
57.06828	2.4
57.07085	51.2
58.50201	1.4
67.05507	2.4
69.07057	2.1
71.08633	38.6
72.52111	1.3
75.93066	1.3
80.12682	1.4
81.07045	2.8
85.10176	18.1
89.06030	100.0
95.08580	2.1
97.10163	2.0
107.07089	5.3
109.10194	2.0
127.92249	1.4
133.08592	22.7
151.09653	49.8
249.31142	1.7
260.81671	1.3
282.06158	1.3
319.28726	7.8
336.87543	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	320.0916
Annotation	Decarine
Peak:m/z	Relative Intensity
50.52059	0.2
51.00122	0.2
64.00922	0.2
92.83607	0.2
96.79343	0.2
104.59075	0.2
133.93738	0.3
137.99797	0.3
139.15892	0.3
147.46230	0.3
164.02277	0.3
173.10983	0.3
184.79210	0.3
248.86726	0.3
262.08606	1.2
264.10236	0.4
277.07303	1.4
290.08109	1.5
292.09665	10.5
292.12915	0.4
318.07629	2.0
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	Decarine
Peak:m/z	Relative Intensity
54.47583	0.2
63.71397	0.3
92.20930	0.6
92.21508	0.6
134.13914	0.2
214.08662	0.3
262.08624	0.7
264.10031	0.3
277.07297	1.1
290.08054	1.7
292.09686	12.4
310.98761	0.3
318.07635	1.9
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	320.1243
Annotation	H-TRP-ASP-OH
Peak:m/z	Relative Intensity
51.09167	0.5
53.89384	0.6
55.13535	0.5
56.05036	1.4
60.04526	3.9
62.67727	0.6
69.52360	0.6
70.06602	8.5
71.01355	3.6
72.08155	3.2
74.06081	3.9
76.05122	1.2
81.00011	0.7
84.04497	2.7
84.08150	4.5
86.09705	12.2
87.05617	0.7
88.04009	8.0
89.02406	2.6
98.06035	1.3
102.05547	1.3
104.05336	1.5
110.07158	3.3
116.07084	10.6
118.06586	0.8
120.08105	1.1
129.10254	1.4
130.04973	2.6
130.06540	17.8
132.02917	0.9
132.07127	1.3
132.08095	27.9
132.10181	1.2
136.07605	1.3
142.06546	1.4
143.08144	3.0
144.08089	37.9
147.07634	1.1
158.09920	1.1
159.09172	100.0
160.07538	3.2
161.09236	3.1
170.06000	22.9
173.12869	2.8
183.99268	0.7
189.08760	5.7
215.08142	0.7
248.10661	0.9
260.05731	0.9
261.08731	3.5
284.67474	0.9
302.17029	1.0
303.09747	55.7
320.12424	9.8
320.20081	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	320.1818
Annotation	Leu-Thr-Ser
Peak:m/z	Relative Intensity
55.05545	1.2
56.05040	6.0
58.06601	1.9
58.93091	1.1
60.04532	25.4
68.93053	0.9
69.86469	0.8
70.06592	9.7
72.04533	1.5
72.08170	6.1
74.06081	30.4
84.04524	6.3
84.08152	7.7
86.06060	1.5
86.09711	35.9
87.05605	1.7
90.33259	1.2
98.06060	25.7
101.07154	1.5
102.05537	1.4
110.07191	4.9
112.11205	1.4
114.09177	1.3
116.07094	100.0
120.08112	1.7
126.05526	1.9
129.10294	2.4
130.05008	2.0
130.06525	7.2
130.08627	1.8
132.08116	9.9
132.10197	18.0
134.08134	4.9
136.07576	2.6
141.13908	1.8
143.08162	34.7
144.08080	14.6
148.95256	1.7
159.09172	41.4
159.11317	4.6
161.09213	33.1
169.13365	2.4
170.06006	10.2
171.07628	5.6
173.12842	1.4
187.14436	5.1
189.08702	63.1
197.12825	8.5
201.14207	1.3
215.13893	2.2
227.08171	1.1
233.14954	8.0
240.03329	1.1
243.13402	1.2
261.08606	1.2
284.15991	1.9
302.17056	18.4
303.09683	19.1
320.12415	2.6
320.17807	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	320.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	3.1
58.06615	0.5
58.07413	0.9
59.21891	0.5
62.06097	3.8
66.75860	0.4
70.06599	4.9
71.06922	3.1
71.08633	2.2
88.07627	14.0
89.07419	0.7
89.07963	5.9
90.08111	0.5
93.07095	0.6
102.09191	6.7
103.09513	4.4
104.09679	0.7
121.10197	0.7
235.84674	0.5
256.26379	12.0
257.26691	11.8
258.26987	46.9
259.20575	0.6
302.29623	4.9
306.06281	0.5
320.09201	2.7
320.26215	3.6
320.30640	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77703	0.9
65.62126	1.0
76.74286	1.0
81.03404	2.6
177.05472	1.5
275.09415	5.8
278.08118	7.2
291.08795	2.2
292.09659	69.2
304.09668	19.9
306.07556	11.7
307.08231	1.3
318.07449	1.3
319.07971	1.6
320.05408	2.3
320.09177	88.0
321.09857	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75868	0.7
57.37313	0.8
81.07026	1.5
85.56805	0.8
109.10195	1.0
128.10657	0.9
176.53665	0.9
242.20325	0.9
275.09286	1.8
278.08063	8.8
292.09656	65.7
297.93503	1.0
304.09695	19.1
306.04498	1.4
306.07516	9.4
307.08456	1.8
318.07535	1.5
319.07953	1.7
320.09167	80.8
321.09821	100.0
321.25714	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	321.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55064	0.7
54.13551	0.8
57.56810	0.8
61.81378	0.7
64.11280	0.8
81.07051	1.0
81.86286	0.9
95.08640	1.2
97.10170	1.1
107.08636	0.8
127.03917	0.9
130.42416	0.8
150.49702	1.0
154.04802	0.9
171.81288	0.9
275.09329	1.4
278.08002	7.4
285.15005	1.2
291.08908	4.0
292.09677	57.7
303.16083	1.2
304.09698	15.7
306.07538	9.2
307.08304	2.1
318.07574	2.0
319.07999	1.8
320.09177	85.1
321.09811	100.0
321.20850	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	321.0994
Annotation	Coptisine
Peak:m/z	Relative Intensity
53.52155	0.9
54.65189	1.0
58.16863	0.9
60.22552	0.9
77.40458	1.0
81.03403	2.4
81.07057	2.1
93.07057	1.1
101.64298	1.0
109.02859	1.2
119.08602	1.0
145.02844	1.4
152.44135	1.1
175.81726	1.1
177.05463	4.0
177.25426	1.1
275.09378	3.9
278.08081	5.5
291.08759	1.0
292.09662	56.6
301.44946	1.0
304.09683	14.3
306.07571	10.5
307.08200	1.5
314.49585	1.0
318.07468	2.2
319.07886	2.2
320.05386	2.2
320.09180	73.6
321.09814	100.0
321.25790	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	321.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59957	1.1
69.54030	1.0
71.66425	1.0
79.26788	1.0
79.57929	1.2
81.03428	2.5
86.97382	1.2
92.21346	2.5
95.08577	1.6
121.10146	1.1
145.02861	2.5
173.09285	1.2
177.05437	2.6
266.08289	1.3
275.09314	4.7
278.08194	6.8
291.09000	1.9
292.09637	67.9
293.10129	1.6
304.09717	16.9
306.07593	9.8
307.08377	2.6
318.07663	2.8
319.08054	1.4
320.09186	80.5
321.09811	100.0
321.22195	5.0
321.25809	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	321.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52602	0.3
54.76923	0.4
63.70128	0.3
67.05518	2.6
81.07046	0.7
86.09735	0.3
94.06583	3.5
122.06033	27.3
126.09903	0.4
130.06551	2.1
136.07582	22.0
146.80360	0.3
159.09193	1.4
160.07585	0.4
164.07063	100.0
170.06053	0.4
182.08131	55.7
188.07120	0.6
203.08086	0.6
207.74266	0.4
243.11098	0.5
258.11212	0.8
275.10181	0.4
303.13263	0.7
304.11774	1.5
321.14499	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
64.75125	0.3
67.05504	3.1
70.06620	0.3
93.33585	0.3
94.06558	4.5
104.48129	0.3
106.20914	0.3
108.23698	0.3
111.00150	0.4
122.06033	29.7
124.80922	0.3
136.07587	20.7
149.57281	0.3
164.07068	100.0
177.89853	0.4
182.08134	59.4
226.34715	0.4
247.05464	0.4
285.67139	0.5
286.10672	0.4
303.13428	0.4
321.10919	0.4
321.14218	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	321.159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.6
56.94135	0.6
62.54803	0.6
65.24364	0.6
69.03436	1.4
69.07063	0.6
70.06587	0.7
72.08135	0.7
85.02904	4.0
86.06071	53.1
86.09706	2.7
87.10009	0.8
95.08588	1.7
97.02890	0.8
98.06058	100.0
98.09682	1.1
98.97587	7.8
99.08097	1.5
103.03298	6.1
110.07172	1.0
113.05981	1.1
115.08694	95.7
116.98602	1.4
120.10172	1.1
123.08033	1.2
125.07145	7.6
128.98633	0.8
130.08656	6.2
134.06012	1.2
136.07628	0.7
141.06607	0.8
141.09099	4.4
141.10234	1.1
142.08647	3.0
148.09708	7.6
152.07120	1.1
157.04329	1.6
158.99675	1.3
159.10184	1.4
164.07056	3.0
168.47691	0.7
174.06966	1.1
177.00725	3.0
191.09619	15.9
200.12773	0.9
219.01753	3.1
227.13887	36.5
234.98993	3.4
237.02800	4.9
245.14932	11.5
267.13205	1.3
279.07687	6.7
297.08664	1.3
303.13040	2.0
321.08582	10.0
321.15948	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	321.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66779	0.5
57.03429	0.6
64.09415	0.5
66.43280	0.5
67.05513	1.5
69.03428	0.8
70.72093	0.6
72.07901	0.6
81.07066	1.1
90.75101	0.6
91.05488	0.8
92.20990	1.1
93.07027	1.0
95.04963	1.1
107.08568	0.7
109.06491	1.1
113.06029	0.7
119.08573	0.9
120.84647	0.6
121.06480	1.0
125.09600	0.8
131.08553	1.0
143.08606	0.7
145.06442	0.6
163.07628	0.7
247.16997	0.8
271.17023	0.9
289.18048	4.0
303.19598	1.4
321.09991	8.7
321.16748	100.0
321.20248	4.0
321.25745	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	321.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89928	0.5
53.73087	0.5
54.79454	0.5
86.09708	100.0
92.21526	0.8
99.92245	0.6
103.05495	1.0
107.04941	0.9
110.17974	0.5
114.38296	0.6
120.08100	98.8
122.25242	0.6
128.10715	53.5
131.04903	2.4
149.05980	2.8
156.10188	18.4
166.08623	66.2
167.07016	0.8
235.48193	0.6
293.10028	0.9
321.09525	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	321.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.7
55.05532	7.5
55.38852	0.6
57.03443	1.2
57.16220	0.6
58.96467	0.6
59.43945	0.6
67.05508	4.5
69.07066	3.2
79.05506	5.6
81.07053	6.8
83.04967	0.9
83.08617	7.0
84.50771	0.7
91.05476	1.8
93.07043	4.8
95.08615	4.8
97.10177	12.7
105.07033	3.0
107.08587	7.5
109.06508	1.0
109.10153	5.5
111.80290	0.8
115.47070	0.7
117.07016	1.0
119.08584	8.3
121.06533	1.3
121.10136	1.0
123.08059	1.6
123.11713	0.7
125.09630	11.7
131.08588	0.9
133.06453	1.1
133.10135	1.8
135.08072	9.3
137.09625	4.3
147.08093	1.0
153.09142	3.7
159.08026	4.5
161.09601	2.8
161.92859	0.8
163.07562	11.0
165.89272	0.7
173.09608	1.2
203.12657	1.1
208.67665	0.8
245.22699	1.0
247.16902	0.8
253.15933	0.8
261.18497	1.3
263.23740	3.2
271.16904	9.8
280.26404	9.7
289.17984	100.0
321.09546	4.3
321.20654	5.9
321.25934	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	321.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65579	0.7
53.76635	0.7
55.01890	1.2
55.05510	5.8
55.11292	0.8
57.03442	1.4
57.07077	0.9
60.55888	0.7
67.05492	4.8
67.20508	0.8
69.07059	5.0
74.28271	0.8
79.05511	4.5
81.07079	7.7
83.08620	4.3
90.29900	1.0
91.05449	3.9
93.07028	2.2
95.08594	6.1
97.06520	1.1
97.10168	6.9
105.07079	1.0
107.04903	1.5
107.08585	5.1
109.06519	1.5
109.10157	4.6
117.06995	1.4
119.08590	6.6
121.06517	1.4
121.10166	1.5
123.08068	1.5
125.09624	6.0
131.08643	1.2
133.06450	1.5
133.10159	2.0
135.08058	4.3
135.11655	1.2
145.10118	1.0
147.08060	1.4
153.09210	1.3
159.08035	2.2
161.09607	1.5
163.07504	3.7
173.09642	1.5
193.84555	0.9
200.18298	0.9
251.32262	1.1
263.23749	1.3
271.16830	7.6
280.26212	6.6
289.17972	100.0
303.19522	3.6
320.08978	1.0
321.09555	17.7
321.16605	4.7
321.20554	20.5
321.26199	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	321.2418
Annotation	20-HETE
Peak:m/z	Relative Intensity
51.18081	1.0
54.22092	0.9
55.05497	4.8
57.07063	1.0
59.04987	1.5
62.06067	2.1
62.84788	1.0
67.05480	5.0
69.07045	5.2
70.06569	2.0
71.04980	2.3
71.06892	1.7
73.06539	1.1
79.05473	8.0
79.37812	1.4
81.07064	11.3
83.08593	2.1
87.08102	1.5
88.07607	6.9
89.07953	3.0
91.05507	10.3
92.04939	1.3
92.21497	2.5
93.07040	9.9
95.08575	7.8
102.09142	2.1
103.09518	1.6
105.07034	15.0
107.08578	8.6
109.06483	7.3
109.10136	4.8
111.08016	1.9
116.19231	1.5
117.06995	1.8
119.08562	15.3
121.10095	2.9
123.08052	8.6
131.08516	6.6
133.10156	13.1
135.08008	1.7
135.11691	1.2
137.09569	6.5
145.10135	10.2
147.11702	9.5
149.09622	2.4
151.11183	18.8
159.11639	2.4
161.13199	2.7
163.11032	1.6
165.12726	5.1
171.11711	2.0
173.13211	2.8
179.14331	1.3
185.13148	2.2
211.14719	2.2
239.17845	2.8
257.19272	1.5
257.26651	12.2
258.26874	4.9
259.27206	14.3
289.18430	1.5
289.21478	9.9
300.17422	1.4
321.24155	100.0
321.30743	53.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2591
Annotation	3beta-Fluoro-5beta-pregnan-20-one
Peak:m/z	Relative Intensity
55.05518	1.6
57.07069	1.8
59.06690	0.9
67.05507	5.3
69.07070	11.1
80.36451	0.9
81.07066	15.4
81.52058	0.9
83.08604	7.9
93.07048	4.0
95.08615	11.3
97.06561	1.1
97.10176	5.1
100.07586	1.8
107.08614	2.0
109.10155	6.1
114.09094	0.9
119.08540	1.8
121.10186	2.1
123.11727	4.8
133.10100	1.6
135.11652	1.1
137.13309	1.5
149.13332	1.0
163.14786	1.5
166.91565	1.3
175.14746	1.3
207.97720	1.3
245.22665	2.1
263.23740	8.4
280.26321	37.0
321.09546	16.8
321.25928	100.0
332.19962	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	321.2591
Annotation	3beta-Fluoro-5beta-pregnan-20-one
Peak:m/z	Relative Intensity
54.48240	0.6
55.05509	4.2
56.49095	0.7
57.07077	1.2
67.05516	5.2
69.07072	7.5
70.91059	0.6
71.08626	0.9
79.05511	0.7
81.07062	9.5
83.08620	8.5
85.10175	0.9
91.05446	0.9
93.07045	3.6
95.08602	10.5
97.10169	4.5
105.06985	1.2
107.08598	1.3
109.10162	7.9
114.09202	2.4
119.08571	1.6
121.10156	3.1
123.08073	1.0
123.11710	3.0
128.10760	0.9
133.10210	1.5
136.81238	0.8
142.12340	0.9
147.11684	1.6
149.13260	1.3
151.14793	0.7
161.13249	1.2
207.48138	0.7
214.88464	0.7
227.47444	0.8
245.22610	3.9
247.47458	0.7
263.23688	7.5
280.26334	30.8
321.09558	4.2
321.25922	100.0
344.01126	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	321.2591
Annotation	3beta-Fluoro-5beta-pregnan-20-one
Peak:m/z	Relative Intensity
53.19040	0.4
53.86250	0.4
55.05519	4.9
55.52412	0.4
56.01743	0.3
57.07086	3.9
62.44997	0.4
62.69418	0.5
67.05508	9.6
69.07066	12.1
71.04972	0.4
71.08624	1.1
79.05477	1.9
81.06612	0.7
81.07062	15.5
83.08629	9.8
85.06529	0.4
85.10175	0.5
86.06048	0.8
91.05447	1.6
93.07048	4.0
95.04967	0.5
95.08607	17.6
97.06513	1.9
97.10164	6.9
99.08115	0.6
100.07608	3.2
105.07026	2.3
107.08586	2.8
109.10156	10.3
111.08063	2.0
111.11679	1.5
114.09171	2.8
119.08599	2.3
121.10127	3.0
123.08088	0.6
123.11697	5.2
125.09608	1.0
128.10721	1.0
133.10133	3.0
135.11682	2.3
137.09625	0.6
137.13269	2.4
142.12268	0.7
147.11700	4.1
149.13239	3.2
151.14796	2.4
156.13849	0.9
161.13222	2.1
163.14812	1.9
165.16357	2.7
170.15465	0.5
175.14726	0.7
179.17931	1.0
189.16367	0.6
219.21022	0.6
221.22610	0.6
222.84535	0.5
245.22653	8.8
260.60861	0.5
263.23694	10.9
280.26331	47.2
321.09558	1.8
321.25919	100.0
337.35135	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	321.2593
Annotation	3beta-Fluoro-5beta-pregnan-20-one
Peak:m/z	Relative Intensity
55.01886	0.4
55.05517	7.8
56.06367	0.3
57.07081	4.0
64.82067	0.4
67.05507	9.5
69.06699	0.6
69.07069	15.0
71.08632	2.5
72.08175	0.4
79.05509	2.6
81.07061	19.0
83.04977	0.6
83.08626	12.4
84.08123	0.6
85.06535	0.6
85.10179	0.5
86.06051	2.0
86.09715	0.4
91.05475	3.4
93.07043	4.3
95.08608	18.2
97.06525	3.1
97.10164	9.0
98.09677	0.4
99.08117	0.4
100.07619	2.7
105.07028	3.2
107.08604	4.3
109.06512	0.6
109.10159	11.9
111.08080	2.6
111.11718	1.9
112.07654	0.4
113.09627	0.5
114.09151	3.9
119.08565	4.2
120.76550	0.4
121.06465	0.4
121.10152	4.5
123.08050	0.7
123.11710	6.0
125.09647	1.6
126.09139	0.7
128.10715	2.0
133.10109	4.7
135.11674	3.4
137.09624	0.9
137.13257	2.9
139.11168	0.9
142.12297	1.9
147.11690	4.7
149.13266	3.2
149.14352	0.4
151.14813	2.2
154.12181	0.6
156.13831	0.8
161.13261	3.7
163.14821	2.7
165.12782	0.8
165.16388	2.5
167.14270	0.5
170.15341	0.6
175.14809	2.3
179.14235	0.7
179.17926	1.6
184.16872	1.5
189.16446	1.5
196.16966	0.5
198.18474	0.5
202.39459	0.4
203.18005	0.5
210.18549	0.6
216.08661	0.4
219.21237	0.6
225.57675	0.3
245.22627	9.1
246.41020	0.3
263.23691	19.3
280.26337	59.8
280.66895	0.4
289.18039	0.7
321.09500	2.1
321.25922	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.259
Annotation	3beta-Fluoro-5beta-pregnan-20-one
Peak:m/z	Relative Intensity
55.05516	9.7
57.07081	5.2
60.20506	0.5
67.05506	11.0
69.07067	15.4
70.52221	0.6
71.04999	0.7
71.08627	2.7
72.08138	0.9
73.49726	0.6
79.05497	4.4
81.07064	22.8
83.04964	3.1
83.08626	13.8
85.06535	0.7
86.06071	1.0
86.09690	0.6
91.05473	4.5
93.07067	5.6
94.02243	0.7
95.04954	1.5
95.08604	19.2
97.06525	2.8
97.10178	10.1
99.08083	1.0
100.07606	4.2
105.07021	4.2
107.04929	1.1
107.08593	5.6
109.02873	0.7
109.06513	1.0
109.10162	11.4
111.08080	2.8
111.11735	1.5
114.09160	2.9
119.08577	5.8
121.06531	0.9
121.10143	5.6
123.08163	2.0
123.11710	5.2
125.09628	2.9
128.10707	2.6
133.10129	5.4
135.08047	1.4
135.11699	4.4
137.09596	1.4
137.13213	2.4
139.11188	0.9
142.12291	1.4
147.08038	0.6
147.11734	5.0
149.13268	3.9
151.11142	1.1
151.14789	1.6
161.09630	1.0
161.13245	2.7
163.14748	1.4
165.16351	0.9
170.15370	0.9
175.14886	0.8
179.17897	1.0
180.18878	0.7
189.16440	1.1
205.48160	0.8
245.22656	9.8
261.18515	1.0
263.23651	16.0
280.26331	60.4
289.14996	0.9
289.17978	4.3
303.19492	0.9
321.09348	1.2
321.25922	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07937	1.3
50.97670	1.1
63.76943	1.3
67.79617	1.3
70.06609	2.8
77.32367	1.4
78.53256	1.4
80.83541	1.5
137.66058	1.5
144.13943	1.6
189.60864	1.5
190.01326	7.0
254.50999	1.5
258.15561	2.4
322.05508	100.0
322.15231	2.4
324.74524	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	322.0707
Annotation	7-oxohernangerine
Peak:m/z	Relative Intensity
53.95422	0.2
60.13762	0.3
70.06578	0.5
71.79005	0.3
84.08162	0.3
86.09723	0.3
95.76412	0.2
114.09148	0.4
124.94047	0.3
171.05971	0.3
177.57275	0.3
209.16502	0.6
279.05353	0.5
294.07587	39.7
322.07089	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	322.1071
Annotation	S-Methyl GSH
Peak:m/z	Relative Intensity
62.93172	0.3
65.96854	0.3
108.89639	0.4
111.40726	0.3
114.98686	0.4
120.33673	0.3
136.06204	4.4
182.57079	0.4
245.96466	0.4
262.18066	0.3
272.56055	0.4
278.08194	0.5
279.08896	4.7
294.11221	2.3
303.33447	0.4
307.08377	37.9
322.10736	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	322.1075
Annotation	S-Methyl GSH
Peak:m/z	Relative Intensity
55.62229	0.1
86.09574	0.8
86.10044	0.2
87.33529	0.2
125.09046	0.2
145.10028	0.2
149.09471	0.3
198.90601	0.2
199.47293	0.2
213.46869	0.2
229.01436	0.4
247.02469	0.6
250.99986	0.2
268.05026	0.2
276.19611	0.3
278.07968	0.3
279.08844	1.6
294.10959	0.4
295.99490	0.2
307.08380	100.0
321.41373	0.2
322.10721	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	322.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91810	0.5
50.95528	0.5
55.01888	0.6
56.30880	0.4
57.03435	1.2
60.05659	0.6
61.02922	3.2
69.03426	6.2
69.07024	0.7
70.06597	6.8
71.04982	0.6
73.02921	2.8
75.78510	0.6
80.44318	0.5
81.03409	1.3
84.04490	0.8
84.08156	1.0
85.02913	12.7
87.04468	3.0
90.05479	0.6
91.03923	1.2
95.06107	4.7
97.02892	6.6
99.04443	0.8
109.02843	0.7
115.03950	0.8
116.07107	1.0
117.62064	0.5
118.10982	0.6
119.31545	0.5
120.08079	1.2
127.03893	3.7
129.10269	0.9
130.06499	1.0
132.08075	2.4
136.07541	0.8
137.08211	0.8
142.06529	30.8
143.07314	5.7
144.08086	18.5
145.04936	0.7
158.06009	3.4
159.06779	1.2
160.04362	2.3
160.07571	75.3
162.20207	0.5
175.11916	1.1
202.08672	1.4
222.52066	0.6
304.54498	0.6
322.12814	100.0
322.18854	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	322.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72890	0.5
58.81015	0.6
60.04529	1.5
61.17617	0.6
69.07072	1.4
70.06579	0.9
79.05501	2.5
84.04508	6.9
85.02892	2.4
91.05492	1.2
96.05621	15.7
97.02914	1.3
98.06083	0.6
103.05480	16.6
107.04973	9.9
110.07130	1.1
110.08461	0.6
115.07555	2.3
125.05845	4.4
126.05740	0.7
126.06599	4.7
131.04951	12.6
135.47563	0.6
136.81944	0.7
138.06621	6.3
142.06541	0.8
142.08646	3.8
143.07053	1.2
144.06490	0.7
149.06009	0.7
155.06921	0.8
156.07687	23.1
160.09729	4.8
160.70207	0.5
168.07658	1.4
184.09586	2.4
198.10332	1.2
200.11861	2.7
212.11839	0.9
228.11354	3.7
240.11226	1.0
240.38867	0.7
244.10811	8.4
245.11572	3.1
246.12335	3.2
258.12344	7.0
274.11841	39.9
286.11902	3.5
298.58536	0.5
304.12918	100.0
322.13989	25.1
322.17899	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	322.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20488	1.9
56.05038	2.2
57.03441	2.8
58.06601	2.1
58.99575	2.2
60.04291	2.8
60.04538	49.5
60.05659	3.6
60.37504	2.2
61.02928	2.5
62.06096	4.5
69.03433	12.2
69.07067	46.8
70.06591	33.0
71.04987	2.9
71.08636	4.5
72.04489	2.8
72.08146	3.1
73.06525	2.2
74.06082	2.7
76.02228	39.1
78.82974	2.2
81.03410	3.3
84.04509	34.8
84.08134	3.4
85.02912	51.1
86.09698	10.7
90.05546	22.6
96.04490	11.5
96.05582	3.1
97.02896	54.2
97.06527	11.8
98.06038	10.2
99.04462	4.3
101.01758	2.7
103.03941	2.8
103.05503	2.7
103.76054	2.4
107.05004	2.7
109.02882	9.7
111.50656	2.3
112.08778	3.4
114.09153	29.1
115.07575	63.0
116.01726	8.4
116.07101	12.5
118.33646	2.4
120.08097	10.4
121.08488	2.3
122.04871	2.4
125.05988	2.6
126.05541	5.3
127.03913	12.7
130.04987	11.6
142.03215	2.3
142.06398	2.9
142.08635	92.6
143.07043	65.4
144.06563	34.1
145.04968	3.3
155.09065	2.4
156.07724	3.3
158.02698	48.6
158.09309	2.4
160.07646	4.6
160.09676	100.0
160.11000	3.4
162.07571	19.8
165.09039	2.5
167.10622	2.3
175.05336	4.2
175.11897	9.9
176.03781	15.4
180.08665	5.1
183.10104	2.8
184.09677	43.7
191.35709	2.4
193.06432	49.1
193.65555	2.7
202.10692	17.5
208.09537	2.7
233.06079	3.7
274.11871	10.8
304.13104	21.6
322.10431	4.8
322.14261	20.2
322.18713	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	322.1761
Annotation	Gly Phe Val
Peak:m/z	Relative Intensity
55.05521	0.9
57.71343	0.2
59.04999	0.2
70.06594	0.4
72.08164	10.9
77.14278	0.2
78.13010	0.2
84.08144	0.3
86.09686	1.5
93.07088	0.2
95.08633	0.4
101.34531	0.2
103.05458	0.4
113.07151	0.8
116.07098	0.2
118.08655	6.3
119.08578	1.3
120.08105	100.0
129.10278	0.2
129.31236	0.2
136.07555	0.5
137.09642	1.5
140.60349	0.2
146.06070	0.2
147.08060	0.3
148.07611	0.3
149.10757	0.3
165.09154	0.3
177.10229	44.9
205.09729	18.1
219.14873	0.2
265.15390	0.9
294.07578	3.2
298.26364	0.3
305.10443	0.4
322.07074	7.0
322.10275	0.4
322.13452	0.9
322.17596	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	322.1761
Annotation	Gly Val Phe
Peak:m/z	Relative Intensity
50.77527	0.3
55.05524	1.0
56.45090	0.3
60.96521	0.4
61.59361	0.4
71.13406	0.4
72.08163	61.7
84.08160	0.5
84.35580	0.4
86.09708	0.8
103.05490	1.0
106.82317	0.4
107.04977	0.4
115.80666	0.5
116.07184	0.4
120.08110	52.8
129.10248	100.0
131.04897	0.9
136.06174	0.5
149.06062	0.7
157.09732	26.1
160.07603	0.6
166.08633	33.7
172.23869	0.4
255.07243	0.5
294.07584	3.1
322.07132	8.8
322.17966	0.9
322.22195	1.0
322.25891	0.9
328.04730	0.5
334.16891	0.5
339.30884	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	322.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	0.5
55.12909	0.4
60.13082	0.5
66.11967	0.5
70.06585	0.9
79.05486	2.3
79.91406	0.5
81.07063	1.3
83.04979	3.4
83.08622	2.3
85.02908	5.5
91.05444	0.7
94.96539	0.5
97.02892	0.8
105.07006	0.7
107.08597	54.1
120.08085	0.9
120.70943	0.5
123.57722	0.5
125.09628	100.0
129.10228	0.7
141.00711	0.5
142.06555	1.0
160.07576	0.9
170.77281	0.6
198.02803	0.6
218.05998	0.6
220.90910	0.5
304.12274	0.6
322.14792	0.9
322.18661	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	322.1875
Annotation	Phe-arg
Peak:m/z	Relative Intensity
60.04535	0.5
60.05354	0.8
60.05658	21.2
60.09906	0.5
61.02944	0.5
69.03434	2.1
70.06596	96.4
71.04993	0.8
72.08179	2.3
81.03412	0.8
84.04527	1.8
84.08133	0.7
85.02914	2.1
85.07644	0.6
86.06065	3.7
86.09707	2.2
88.03957	0.6
88.07629	1.1
91.05496	0.5
94.29761	0.5
95.06117	0.6
97.02901	9.7
97.07665	2.6
98.06065	9.7
99.06390	3.1
100.03976	0.7
100.05087	0.8
112.05106	0.7
112.08730	19.5
113.95111	0.5
115.08698	8.2
116.07092	6.0
116.09024	1.9
120.08106	12.8
130.06554	2.8
130.09787	3.5
132.04443	0.8
135.03070	1.3
140.08186	2.8
141.06729	0.5
142.03217	0.7
149.10071	0.8
152.04456	1.3
152.05678	33.8
153.04112	3.3
157.07619	4.9
157.10854	2.8
158.06047	1.3
158.09247	5.6
159.09180	0.7
160.09698	1.9
165.11076	0.8
166.08638	0.8
175.07321	0.6
175.08676	3.9
175.11902	31.5
190.09737	1.2
200.10762	1.1
201.13129	0.8
216.14951	0.8
221.20482	0.5
228.14302	2.1
242.12848	2.3
246.11249	2.5
258.13272	0.6
259.15527	2.0
262.15488	3.9
263.13995	3.9
268.13803	1.0
286.12201	0.7
288.13483	1.2
304.13293	3.5
305.16068	8.5
322.05905	2.0
322.18774	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21078	0.8
53.95225	0.8
58.29662	1.1
67.05508	2.6
69.43460	1.0
80.05024	50.0
81.07083	0.9
85.06540	1.2
87.04472	29.7
91.05475	1.8
93.07034	1.3
94.06540	1.5
95.08614	4.9
95.65550	1.1
101.50998	0.9
104.16177	1.0
109.10133	2.4
110.56973	1.1
119.08553	1.3
136.07568	12.7
137.09650	2.0
148.07581	28.1
162.09125	1.5
166.08627	100.0
174.09151	7.1
188.10744	4.2
189.00529	2.1
192.10237	1.2
192.13762	1.2
204.13747	1.3
206.11659	1.1
254.15306	4.7
272.16449	7.6
281.06851	1.2
281.10599	4.5
290.17816	9.0
290.21164	20.6
299.07883	1.9
299.11511	2.5
304.19086	2.3
305.20889	1.9
307.08499	1.3
322.10181	4.8
322.20102	99.1
322.23785	61.5
322.27771	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	322.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41542	0.6
50.57798	0.6
52.92259	0.6
56.05040	0.9
57.07068	1.2
58.06607	3.5
60.04533	0.8
69.07054	0.9
70.06598	1.2
71.08658	0.8
72.08147	0.8
78.74634	0.7
80.05032	0.7
81.07067	1.6
86.06067	6.7
87.04460	1.3
88.07624	14.5
89.06049	5.9
93.07053	1.3
95.08630	1.2
100.07631	5.1
104.07099	7.5
107.08560	1.2
109.10178	0.7
121.10133	1.3
125.45172	0.9
148.15170	0.7
176.12872	3.3
186.18523	53.0
198.18610	1.4
206.13954	1.6
210.13441	1.2
230.21065	1.0
274.23776	17.2
304.25024	1.0
305.24954	1.3
307.08585	1.4
312.55066	0.9
322.10590	10.3
322.16724	3.4
322.19995	3.9
322.25983	100.0
344.17130	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	322.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41542	0.6
50.57798	0.6
52.92259	0.6
56.05040	0.9
57.07068	1.2
58.06607	3.5
60.04533	0.8
69.07054	0.9
70.06598	1.2
71.08658	0.8
72.08147	0.8
78.74634	0.7
80.05032	0.7
81.07067	1.6
86.06067	6.7
87.04460	1.3
88.07624	14.5
89.06049	5.9
93.07053	1.3
95.08630	1.2
100.07631	5.1
104.07099	7.5
107.08560	1.2
109.10178	0.7
121.10133	1.3
125.45172	0.9
148.15170	0.7
176.12872	3.3
186.18523	53.0
198.18610	1.4
206.13954	1.6
210.13441	1.2
230.21065	1.0
274.23776	17.2
304.25024	1.0
305.24954	1.3
307.08585	1.4
312.55066	0.9
322.10590	10.3
322.16724	3.4
322.19995	3.9
322.25983	100.0
344.17130	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	322.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85641	2.6
55.05516	10.7
57.07077	15.4
62.05793	5.0
62.06096	100.0
63.06854	2.3
65.76439	2.5
67.05511	36.8
69.07070	19.9
71.04995	2.5
79.05513	16.9
81.07065	40.4
83.04966	3.4
83.08611	13.2
91.05482	9.6
93.07060	22.0
95.04967	3.9
95.08609	35.5
97.06525	4.7
97.10182	12.4
105.07027	5.6
107.08587	15.9
109.06563	2.7
109.10146	12.9
117.06982	2.4
119.08585	11.3
121.10125	16.7
123.11696	4.0
132.04236	2.7
133.10167	5.3
135.11713	10.4
137.09589	5.3
137.13364	2.4
147.11691	4.9
149.13290	3.9
159.20845	3.0
163.14804	3.3
165.12766	2.9
175.14755	2.4
175.50906	2.5
179.14340	3.8
184.13356	6.0
184.56404	2.4
187.14807	2.9
194.19043	3.9
195.17451	3.1
261.22174	3.8
281.26706	15.7
305.24649	36.3
322.10306	10.2
322.27365	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	322.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97146	1.0
57.07050	1.2
59.92113	1.1
62.06096	83.5
67.05519	12.4
69.07085	2.6
71.08630	7.9
74.04843	1.2
79.05505	5.4
81.07062	18.5
83.08595	2.0
93.07040	11.0
95.08607	17.7
99.08091	5.1
105.07058	1.4
106.01015	1.3
107.08610	9.9
109.10170	4.8
119.08567	2.2
121.10152	2.9
123.11746	3.0
131.08542	1.6
135.11691	5.3
137.13264	1.8
141.14220	1.2
149.13297	1.5
163.14798	2.1
173.13293	1.9
177.16365	1.6
196.13297	2.0
209.70129	1.2
224.20151	5.6
227.67429	1.4
237.09607	1.5
243.21158	5.7
261.22043	5.0
281.26559	2.6
304.26459	5.2
306.78470	1.7
322.27383	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05051	0.6
55.05503	1.2
55.71222	0.8
57.07074	1.2
60.04524	0.8
62.06096	100.0
67.05512	12.8
69.07072	3.2
76.76590	0.8
79.05477	5.7
81.07066	12.3
83.08634	1.4
91.05479	3.1
93.07051	11.2
95.08610	16.7
97.06511	0.9
97.10131	0.8
104.30624	0.7
105.07033	4.4
107.08598	9.9
108.40040	0.7
109.10170	4.8
111.08096	1.0
111.95580	0.9
116.45902	0.9
118.81261	0.7
119.08600	3.2
121.10159	9.4
123.11706	1.3
131.08589	3.8
133.10152	3.2
135.11697	7.0
144.10173	1.4
145.10143	1.8
147.11705	1.0
149.13251	1.4
151.14781	0.9
159.11755	2.4
159.29941	0.8
161.13246	0.9
163.14847	3.3
173.13316	1.8
173.14972	0.8
177.16338	3.1
185.30504	1.0
187.14886	0.9
201.16441	0.8
243.21165	4.3
260.78027	0.9
261.22223	6.2
266.95160	0.8
304.26401	1.4
305.24643	1.4
322.27417	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
59.73471	2.0
63.41260	2.2
66.63954	2.3
68.24700	2.3
68.93982	2.1
94.93002	3.3
97.31635	2.4
99.47710	2.6
100.14465	2.5
131.00218	2.8
149.01224	3.4
156.03610	14.6
161.02930	3.0
228.05701	16.1
237.06291	4.4
277.38263	3.3
323.07397	100.0
323.69446	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	323.0738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34999	1.7
60.99878	1.7
74.07433	1.6
76.29358	1.8
98.97570	7.3
125.52445	2.2
133.38831	1.9
143.01874	3.0
149.01250	2.3
156.03578	8.2
161.02939	4.4
177.42532	1.7
184.82649	1.9
187.89943	1.8
191.03767	2.4
213.32719	2.0
228.05760	7.6
237.06245	2.4
248.38120	2.1
258.99734	3.2
263.06491	2.5
277.00800	12.9
292.69513	1.8
323.07376	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.3
54.10459	0.2
55.01871	0.3
57.03444	0.4
60.04505	0.2
60.31284	0.2
61.02925	0.9
61.49923	0.2
69.03104	0.3
69.03436	5.5
71.04984	0.5
73.02904	0.3
73.09911	0.2
77.75544	0.2
81.03426	1.9
85.02908	13.6
87.00832	7.8
88.03965	0.2
91.05489	1.5
95.01340	0.3
97.02894	2.9
99.04466	1.5
102.27179	0.2
105.01876	9.2
107.04986	0.2
109.02876	3.4
119.04943	7.1
127.03917	9.3
129.68330	0.2
141.01830	0.9
145.04971	2.4
146.06018	11.2
147.04411	100.0
147.81544	0.2
148.03943	0.2
157.07494	0.3
159.09122	0.2
165.05525	0.2
173.81236	0.2
174.05498	1.0
177.05392	0.2
185.04799	0.2
188.76140	0.2
202.04861	0.3
203.08191	0.3
207.07703	0.9
230.05789	0.9
231.04948	1.3
249.06085	0.4
252.80215	0.2
263.10385	0.3
273.32022	0.2
323.07602	10.6
323.12317	2.1
323.15921	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	323.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87731	0.3
60.05640	0.4
60.77439	0.2
61.02935	0.3
61.50612	0.2
69.03421	0.6
70.02962	0.4
70.06591	3.6
71.04987	0.4
71.06918	1.6
73.29494	0.2
81.03412	0.5
84.04504	1.2
84.07692	0.3
84.08153	5.1
85.02898	2.5
86.06072	0.6
86.09683	0.4
88.03998	0.6
88.89601	0.2
97.02891	1.1
98.06010	0.6
102.05608	0.3
109.02875	0.4
112.08688	0.5
113.06011	0.3
115.08678	0.6
116.07146	0.4
118.06518	0.4
121.08430	0.5
123.04725	0.5
123.05550	8.3
127.03835	0.3
128.04973	1.4
130.06567	0.3
132.08430	0.7
135.05516	1.1
136.06184	1.1
146.06010	100.0
148.03972	0.6
158.06081	0.5
161.00876	0.4
161.02026	2.6
172.03938	1.3
173.07159	0.3
175.11887	1.5
180.07666	2.3
185.04185	5.4
201.08240	0.3
203.05266	1.7
231.13376	1.4
259.16489	1.4
275.04041	0.4
306.16528	0.3
323.07297	17.0
323.11652	3.4
323.16080	2.1
323.19501	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	323.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91743	0.4
55.20921	0.4
69.03364	0.4
78.00549	0.5
81.07040	1.0
82.74461	0.4
85.06513	0.6
91.73164	0.5
93.06994	0.7
95.08553	0.7
105.07015	0.7
107.08566	0.8
109.10059	0.5
120.08091	0.6
133.06436	0.5
135.11609	0.5
137.05934	0.8
160.65012	0.5
161.05966	8.2
203.08589	0.8
231.08029	5.4
232.08733	0.6
248.08168	2.5
250.07578	0.5
259.07516	4.9
260.08356	5.3
263.10797	3.7
276.07755	3.9
279.08881	4.5
291.10181	10.9
293.09924	0.8
294.11249	7.7
295.10623	5.6
301.62332	0.6
306.11069	0.8
307.08307	4.5
308.08713	58.1
321.08350	1.9
322.10764	12.8
323.10178	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36582	0.2
57.03346	0.3
57.03585	0.3
67.05372	0.5
67.05701	0.3
69.57756	0.2
71.71136	0.3
79.05357	0.3
79.52047	0.2
81.03306	0.3
81.06930	0.6
81.07344	0.3
83.60110	0.2
85.02802	0.4
93.06909	0.3
95.08481	0.4
97.06378	0.2
97.10009	0.2
105.06900	0.3
107.04844	0.7
107.08458	0.3
109.06399	0.3
109.10011	0.5
111.07898	0.3
112.99843	0.4
119.08433	0.4
121.09932	0.3
133.06258	0.3
133.09937	0.3
137.05846	0.4
141.01669	0.4
149.09445	0.4
169.02454	0.9
183.66115	0.2
193.11749	0.3
203.14331	0.3
211.44905	0.2
279.08752	0.3
280.09152	1.1
300.74225	0.3
305.17371	1.1
307.08340	3.0
308.08707	60.4
323.11063	100.0
323.18652	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	323.1139
Annotation	CHEMBL1163686
Peak:m/z	Relative Intensity
53.02318	0.7
55.59626	0.7
56.12591	0.7
57.90490	0.8
67.54801	0.7
70.98782	0.6
111.49306	0.7
115.03882	0.8
137.05966	7.3
161.05949	6.7
166.68280	0.8
170.99988	0.8
192.61053	0.8
199.07545	1.8
203.08588	2.9
207.15871	0.9
212.61462	0.7
212.72244	0.8
228.58192	0.8
231.08081	4.0
248.08374	1.2
259.07550	4.1
260.08536	1.4
263.10666	1.7
276.07806	3.2
279.08783	6.6
280.09860	2.4
291.10229	8.5
293.09689	1.6
294.11292	16.2
295.10532	7.6
305.49445	0.8
306.11212	6.5
307.08380	5.3
308.08740	33.8
321.08548	1.5
322.10730	26.5
323.09937	100.0
323.23386	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	323.1146
Annotation	CHEMBL1163686
Peak:m/z	Relative Intensity
51.36016	0.7
55.02988	0.8
76.05067	0.8
81.07067	1.3
85.02905	1.4
91.05537	1.2
92.20952	1.0
93.07042	1.0
98.97557	1.4
107.04994	1.1
116.70896	1.0
127.07600	1.0
163.64723	1.0
229.01588	4.6
230.01932	2.0
247.02621	4.8
248.03011	4.1
277.11041	1.4
279.08871	15.7
280.09683	5.4
287.16736	0.9
293.10272	1.2
294.11252	32.2
294.14343	1.7
295.10687	4.3
299.05484	1.0
300.06058	5.5
306.11270	8.6
307.08386	8.9
308.08755	59.6
309.09976	1.2
320.09076	1.4
321.09402	1.7
322.10730	48.1
323.10974	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79430	0.7
102.22955	0.8
131.58698	0.8
181.10565	0.8
230.15080	0.8
233.60979	0.8
277.10895	1.3
279.08844	12.1
280.09644	3.2
293.10089	1.4
294.11261	23.3
295.10614	8.3
305.19302	1.0
306.11224	9.0
307.08383	9.5
308.08817	33.7
320.09134	0.9
321.08539	1.9
322.10742	43.4
323.10443	100.0
323.20200	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	323.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66625	0.7
67.13595	0.9
81.07063	0.9
86.63435	0.8
92.21471	1.2
105.07026	5.2
105.74523	1.0
109.06575	1.6
112.15041	1.0
133.06500	6.9
137.05983	42.3
146.03661	2.0
161.05965	55.2
163.07352	1.0
168.91751	1.0
175.07562	1.2
181.23018	1.0
199.07516	15.7
202.07722	1.7
203.08560	13.3
220.08885	2.3
230.07298	1.2
231.08040	33.5
232.08827	2.3
235.11168	1.1
245.09596	1.2
248.08296	10.4
250.93704	0.9
258.06598	1.3
259.07513	27.2
260.08313	15.8
261.14752	1.3
263.10654	24.5
265.08566	1.1
275.06979	1.4
276.07779	15.9
277.08578	4.9
291.10126	52.2
292.10904	4.2
293.08008	4.6
295.13077	2.3
306.17026	3.9
307.09659	1.1
308.10324	10.5
323.12759	100.0
325.57498	1.0
327.04688	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	323.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08111	2.2
55.05510	15.4
57.03435	18.0
57.07066	2.6
65.12977	2.7
67.05515	35.3
69.07066	15.4
69.57635	2.5
77.83573	2.8
79.05481	13.0
81.07063	40.2
83.05020	3.7
83.08623	3.5
85.06559	6.0
89.19940	2.7
91.05484	11.2
93.07038	15.2
95.04920	9.7
95.08607	32.2
96.82669	2.7
97.10166	3.6
98.97574	6.8
99.04422	3.0
105.07027	17.1
107.08605	6.5
109.06523	6.9
109.10185	22.7
111.04422	4.3
113.06028	28.6
116.98653	3.2
119.08562	14.4
121.10139	12.2
125.59595	2.9
133.06511	16.5
133.10114	5.1
137.05974	13.6
143.08592	4.6
147.11668	5.0
159.11684	13.6
161.05968	59.6
161.09702	3.1
173.13251	5.2
176.80414	2.8
202.07616	4.3
203.08585	17.9
222.81326	2.8
231.08081	53.5
232.08784	4.9
234.27666	2.9
248.08377	17.7
259.07516	44.7
260.08316	41.8
263.10623	33.6
273.18195	4.2
276.07806	22.2
277.00812	19.1
291.10153	100.0
291.19513	22.6
305.21069	4.0
308.10291	6.4
323.12759	89.2
323.22479	5.5
323.26068	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	323.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17096	0.5
58.88818	0.5
64.72559	0.6
67.05511	0.9
69.03416	0.7
71.04989	0.9
85.02906	3.4
87.04460	0.9
95.08616	1.0
97.02923	0.8
107.04950	0.7
130.68388	0.8
141.01811	1.2
151.14349	0.7
152.27420	0.6
175.90591	0.7
182.90561	0.6
222.98024	0.7
249.10951	1.4
295.10529	0.8
308.08731	1.3
310.31799	0.7
323.10349	17.1
323.14609	100.0
323.18051	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	323.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94517	0.5
58.06604	8.9
58.24755	0.5
59.89668	0.5
61.02935	0.6
61.82453	0.5
61.90152	0.5
66.19968	0.5
70.06596	1.3
71.05013	0.6
73.05146	0.9
74.02457	0.6
84.04514	16.0
84.08148	100.0
85.02927	2.3
86.06071	8.5
86.09705	5.4
87.05571	0.8
87.09257	1.1
88.04000	1.1
94.13895	0.5
97.02877	1.1
98.06094	0.6
102.05566	1.2
102.09196	2.3
108.36463	0.7
114.09178	0.8
118.06994	0.6
120.08129	0.7
123.05541	5.0
127.04005	0.6
130.08640	7.1
132.08405	6.4
132.95853	2.7
135.05569	0.6
141.06584	4.1
146.06013	27.7
146.07178	0.9
150.05481	0.6
150.96950	1.2
157.32117	0.5
158.06058	1.1
159.07697	2.5
160.09674	1.0
173.07112	0.7
174.05603	0.6
174.96916	2.6
176.98500	0.6
180.07700	2.7
185.12930	1.0
186.96982	1.3
187.10764	0.6
198.96970	0.8
203.02280	0.8
214.10837	1.0
216.97986	2.2
231.13412	22.0
231.15594	1.0
233.66302	0.5
234.99084	2.2
259.16525	24.9
278.10681	2.6
281.12378	0.7
305.11166	0.7
305.14667	0.7
323.04102	0.7
323.16418	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	323.2214
Annotation	[8]-Gingerol
Peak:m/z	Relative Intensity
55.01882	3.2
55.05520	10.5
63.41209	0.6
66.08657	0.7
67.05512	10.1
69.03416	1.5
69.07067	12.7
75.07956	0.7
75.36002	0.8
79.05477	8.5
81.03397	0.9
81.07060	9.7
83.05013	1.8
83.08615	10.5
88.46571	0.8
91.05476	4.5
93.07050	7.9
95.04959	1.6
95.08599	3.8
97.02885	3.1
97.06522	1.0
97.10168	19.9
105.07023	6.2
107.04987	1.6
107.08600	12.2
109.06528	1.5
109.10109	1.2
117.07007	2.0
118.63956	0.9
119.08580	6.0
121.06517	0.9
121.10130	3.7
123.08055	4.0
125.09627	16.9
125.10473	1.3
129.06992	1.0
131.08546	5.4
133.06413	0.9
133.10129	3.4
135.08035	4.3
137.09625	1.0
143.08539	1.3
145.10133	4.0
147.08051	3.9
147.11638	1.8
153.09016	1.4
159.11667	1.0
165.09160	1.2
175.11133	1.4
183.46976	0.9
189.12735	1.4
203.12788	5.9
223.13333	11.2
237.14719	1.0
245.18839	1.1
249.14819	1.2
273.18448	7.5
291.19528	100.0
305.21112	25.6
323.22220	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	323.2214
Annotation	Monacolin L acid
Peak:m/z	Relative Intensity
55.01871	1.9
55.05524	27.0
56.80618	1.6
56.95250	2.0
57.03447	31.9
57.07067	2.8
59.05359	1.8
61.26482	1.7
67.05518	25.3
69.03435	2.3
69.07072	11.7
79.05502	39.5
79.38635	2.0
81.07062	53.5
83.04981	4.0
83.08626	17.7
84.14081	2.1
85.06539	8.6
91.05467	14.4
92.16301	2.1
93.07050	29.5
95.04968	11.0
95.08624	18.5
97.06521	4.2
97.10181	41.2
98.97580	2.8
99.08134	4.5
105.07045	25.0
107.04972	23.1
107.08592	29.9
109.06506	24.4
109.10159	10.2
111.08070	2.9
116.57959	2.2
117.06992	12.7
119.08591	35.2
121.06502	14.5
121.10145	10.1
123.08090	18.6
125.09630	43.0
129.06984	3.7
130.19566	2.1
131.08548	16.3
133.10155	4.7
135.08049	14.5
137.09639	2.8
143.08583	5.2
145.06375	2.6
145.10130	19.1
147.08081	24.9
149.09598	4.2
153.09077	4.5
157.10130	10.0
159.11690	8.1
161.09587	10.6
163.11165	5.2
167.27235	2.1
171.10249	2.8
171.11632	8.2
173.09492	3.2
173.13272	5.2
175.11206	4.1
183.11665	2.3
189.11253	3.9
190.75552	2.6
194.28282	2.8
201.12746	2.6
203.12781	29.0
219.13788	10.9
227.17828	3.2
246.33282	2.2
255.17467	8.0
273.18481	35.3
277.00681	3.6
287.20251	2.9
291.19519	41.5
305.21100	100.0
323.22470	6.9
323.27310	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	323.2213
Annotation	Monacolin L acid
Peak:m/z	Relative Intensity
53.03962	2.9
55.01881	3.9
55.05522	27.2
62.06100	2.6
67.05503	27.2
69.07074	18.6
73.33385	2.6
79.05489	19.6
81.07055	49.2
83.04983	100.0
83.08629	11.7
85.06530	5.7
90.06198	2.8
91.05470	19.0
93.07045	38.6
95.04958	5.8
95.08588	21.0
97.06523	11.2
97.10121	3.1
98.97589	3.3
105.07014	19.5
107.04941	4.1
107.08591	36.0
109.06489	4.5
109.10155	32.5
111.08086	7.1
119.08572	12.8
121.06479	6.9
121.10139	19.5
123.08074	3.2
123.11666	3.8
131.08565	14.0
133.06485	4.9
133.10104	54.1
135.07986	5.1
135.11658	13.5
139.07549	4.9
143.08479	3.0
145.10120	5.6
147.08038	4.2
147.11752	3.2
149.09625	7.6
151.11157	32.5
157.10159	4.9
159.11732	3.5
161.09618	3.7
163.11110	3.1
169.57390	3.7
171.11641	5.8
175.11211	3.6
179.10686	3.4
181.12318	3.6
183.13828	16.0
196.68460	2.9
207.13867	3.5
226.39499	3.1
245.18961	4.5
255.17400	2.9
273.18564	27.3
277.01028	3.5
291.19547	41.0
300.06506	3.7
305.21091	28.0
323.22186	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	323.2214
Annotation	[8]-Gingerol
Peak:m/z	Relative Intensity
53.47669	1.2
54.29726	1.7
55.01879	2.1
57.03451	13.1
61.84001	1.4
67.05502	18.3
71.04989	2.2
73.14647	1.5
79.05496	2.9
81.07063	3.9
83.08630	2.0
85.06538	22.5
88.18005	1.4
91.05466	3.7
93.06016	1.7
93.07022	4.1
95.04459	2.1
95.04977	28.0
95.08606	3.9
105.06992	2.0
107.08585	8.1
109.06500	20.2
111.04465	2.1
113.06005	100.0
119.08561	2.2
119.29403	1.9
120.89359	1.9
121.10160	2.6
127.00370	1.8
131.08569	8.4
135.08035	15.8
135.11711	3.5
138.04272	1.5
143.08603	2.0
145.10103	3.0
147.07980	1.7
157.10098	1.7
159.11719	2.4
163.11201	2.7
165.09070	1.8
173.30304	2.2
176.29865	1.7
177.11246	2.0
177.12733	2.1
217.15909	2.2
227.12849	2.7
273.18527	12.0
291.19547	53.9
305.21021	7.2
323.22141	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	323.2215
Annotation	Monacolin L acid
Peak:m/z	Relative Intensity
50.60927	1.6
51.85701	1.6
53.03956	8.7
53.20737	2.1
54.25397	2.2
55.01886	4.3
55.05522	7.9
57.03444	4.2
58.34502	2.0
67.05515	36.8
68.35931	1.7
69.07075	9.8
71.05000	19.6
79.05489	25.5
81.03426	41.0
81.07060	85.8
83.04977	12.6
83.08617	3.8
85.06544	5.2
91.05481	15.3
93.07040	46.1
95.04972	15.5
95.08606	47.0
97.06540	8.3
99.08083	2.1
105.07015	12.2
107.04948	31.9
107.08608	19.8
109.06513	37.0
109.10187	3.9
110.22690	2.0
111.08070	3.3
117.07043	15.0
119.04863	2.4
119.08549	3.8
121.06507	3.9
121.10134	11.4
123.08057	19.9
131.08562	17.2
133.10159	12.4
135.08060	22.3
135.11694	42.1
143.08540	3.8
145.06462	12.9
145.10144	8.8
147.11647	2.4
149.09607	2.5
149.13257	24.8
157.10095	2.5
159.08069	3.8
159.11691	38.6
163.11150	20.6
169.10083	9.8
171.11702	2.5
177.12755	29.8
187.11183	17.3
205.12117	2.9
209.15367	5.2
217.15833	4.4
221.15344	3.4
233.15329	2.7
273.18427	19.5
273.48856	2.2
291.10239	3.1
291.19266	3.8
305.21085	100.0
323.09198	5.2
323.18521	10.5
323.22092	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	323.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50002	2.9
55.05509	15.3
57.03431	5.4
67.05501	35.3
69.07071	20.7
79.05500	40.6
81.07060	59.8
83.08623	19.3
85.06542	6.1
91.05498	52.5
91.48011	3.3
93.07039	48.8
95.04973	7.7
95.08621	61.3
96.34248	3.4
97.06530	8.4
97.10181	18.6
99.08092	17.9
105.07066	30.0
107.08588	35.7
109.06508	13.9
109.10178	18.9
110.39611	3.8
111.08059	7.2
117.07008	17.0
119.08567	36.7
121.10150	47.3
123.08049	6.6
123.11665	5.5
125.09628	4.7
127.07510	5.1
131.08578	29.9
133.06503	4.7
133.10118	42.2
135.08043	8.2
135.11720	21.6
137.05980	16.3
137.09581	4.9
145.10135	40.8
147.11687	30.3
149.09624	19.3
149.13263	14.5
157.10083	4.9
159.11691	27.3
161.05966	8.1
161.09657	4.4
161.13277	20.5
163.11160	22.2
170.06030	18.9
171.11705	16.3
173.13245	18.1
175.14828	9.2
177.12772	15.6
183.11708	6.6
185.13292	4.5
187.14819	15.5
194.04259	3.7
199.07574	5.5
227.18031	4.8
229.13843	5.7
253.19513	6.8
259.07465	7.1
261.22180	7.8
263.10690	9.4
271.20590	18.9
276.07968	5.6
277.13123	5.5
288.23123	28.7
289.18445	7.7
289.21597	97.0
291.10095	19.7
291.19763	6.0
300.14822	20.2
306.21011	6.7
306.24258	75.4
323.09317	4.6
323.13361	37.3
323.23154	21.2
323.26917	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09413	0.1
51.28203	0.1
53.00312	0.4
53.03954	0.1
54.05255	0.1
55.01877	0.7
55.05518	10.0
56.05038	0.1
57.03438	0.6
57.07080	14.3
58.06602	0.6
59.05021	0.1
59.06313	0.1
60.04545	0.1
62.40228	0.1
67.05507	5.5
69.03427	0.6
69.07069	27.3
70.06590	0.5
70.32611	0.1
71.04987	0.9
71.08631	9.5
72.04515	1.1
72.08154	2.3
79.05495	2.4
80.08216	0.1
81.07058	11.5
82.06607	0.1
83.04990	1.5
83.08621	23.6
84.08131	0.8
85.06557	1.0
85.10184	4.6
86.06065	4.1
86.09706	1.2
91.05481	0.2
93.07041	5.9
95.08604	10.6
96.08131	0.2
97.06533	6.4
97.10167	19.4
98.09701	0.2
99.08102	0.8
100.07616	7.3
100.11271	0.5
105.07089	0.1
107.08591	5.8
109.10149	6.7
109.10902	0.2
111.08080	5.8
111.11714	7.2
113.09606	0.2
114.09159	6.9
119.08559	0.2
121.10142	8.0
123.11696	2.9
125.09626	3.6
125.13259	1.7
127.11215	0.2
128.10710	4.1
129.09070	0.1
133.10162	0.2
135.08105	0.1
135.11691	7.9
137.13252	1.3
139.11171	2.0
139.14838	0.2
141.12720	0.1
142.12270	1.7
142.15881	0.2
143.08510	0.1
147.11708	0.1
149.13252	5.6
151.14787	0.9
153.12729	1.4
155.14282	0.2
156.13863	1.6
163.14807	2.6
165.16370	0.8
167.14278	0.9
169.15852	0.1
170.15404	0.8
170.19112	0.1
177.16394	1.6
179.17914	0.2
181.15906	0.4
184.16925	1.1
191.17963	1.1
195.17429	0.2
198.18538	0.7
198.22200	0.2
205.19533	0.6
207.21051	0.1
209.18965	0.4
212.20108	0.9
223.20705	0.1
226.21680	0.7
240.23206	0.3
240.26779	0.9
247.24185	7.9
248.94319	0.1
264.26913	0.5
265.25241	12.0
278.28415	0.2
282.27893	100.0
306.27933	0.5
323.27594	0.6
323.30624	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	324.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20687	1.1
51.78279	1.0
67.05505	1.9
70.95871	1.6
72.93795	2.9
81.03407	1.7
81.07066	3.3
83.56514	1.2
85.02902	1.9
90.94809	2.8
92.20990	2.6
93.07038	1.9
95.05084	1.2
95.08585	1.4
102.91032	1.2
103.03926	2.4
110.45027	1.5
110.79122	1.4
121.10104	1.8
127.03909	5.9
128.96335	1.7
138.98407	1.5
145.04961	1.6
154.97934	2.5
165.03622	5.7
168.99435	2.0
171.38692	1.4
180.99437	1.6
184.99019	1.6
185.02594	2.1
186.01173	2.0
189.03636	2.5
196.98891	2.1
199.00441	2.0
199.02080	3.0
219.04660	1.7
221.06129	1.4
227.03671	8.8
247.04280	1.8
248.09157	3.3
253.05219	5.5
265.05261	13.6
281.04431	1.4
283.06274	100.0
301.07370	22.9
316.23730	1.7
324.08893	2.0
324.12552	2.9
324.21991	1.6
335.03455	1.5
344.51907	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	324.0956
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91831	0.9
58.93200	0.9
70.06563	1.0
71.62641	1.0
84.08105	1.7
88.45642	1.0
95.16261	1.0
97.02896	1.3
113.05559	1.0
115.90499	1.0
133.03166	1.5
162.05501	31.9
181.07956	1.5
193.45923	1.1
307.06921	2.5
324.05521	7.1
324.09491	100.0
324.19858	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	324.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98321	0.3
51.41842	0.3
66.29646	0.4
79.59581	0.4
84.85217	0.5
92.21575	0.5
156.31538	0.4
263.09454	0.6
266.08087	0.6
279.08926	0.4
280.09683	29.8
292.09753	5.7
294.07590	10.3
295.08429	0.5
308.09164	33.8
309.09952	42.0
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	324.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07041	0.4
87.15102	0.3
107.83234	0.4
112.30244	0.3
127.03809	0.4
137.05977	0.5
137.77573	0.4
154.76971	0.3
164.06952	0.4
190.27107	0.4
232.94537	0.4
253.14041	0.4
264.11182	0.4
266.08115	1.4
266.67386	0.3
292.10492	0.5
294.07608	7.0
301.72733	0.3
309.09943	100.0
324.12283	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	324.1229
Annotation	Rutacridone epoxide
Peak:m/z	Relative Intensity
52.49349	0.4
57.22675	0.4
57.30093	0.4
58.26659	0.4
89.32222	0.5
97.75963	0.4
130.80914	0.4
135.58565	0.5
266.08188	0.9
279.08835	1.0
280.09680	27.8
292.09662	6.4
294.07593	11.0
308.09183	37.1
309.09943	44.5
316.49289	0.5
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	324.1228
Annotation	Rutacridone epoxide
Peak:m/z	Relative Intensity
56.42839	0.2
62.26192	0.2
71.62235	0.3
72.60966	0.3
163.73698	0.3
186.97644	0.4
201.82420	0.3
202.96480	0.3
266.08163	0.7
280.09503	1.1
294.07535	6.8
298.06348	0.3
308.09128	0.6
309.09930	100.0
314.05692	0.3
324.12268	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	324.144
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14098	0.7
59.74821	0.9
60.00099	0.8
69.03436	1.0
73.97696	0.7
81.03415	4.5
85.02912	13.8
97.02889	4.9
103.03960	1.1
115.03960	1.3
125.20458	1.1
127.03931	1.3
130.06525	2.1
132.08043	1.9
143.07310	2.1
144.08092	100.0
156.08096	9.8
158.09648	38.6
160.07587	6.6
162.09128	41.6
168.08086	7.0
170.09660	1.8
172.07639	1.8
174.09163	7.6
182.09624	2.0
184.07591	13.2
186.09160	35.4
187.69736	1.1
196.11183	1.6
198.09212	1.6
204.10207	29.4
224.10652	1.8
228.10202	2.3
240.10156	4.1
252.10208	4.2
270.11099	6.7
288.12268	15.9
306.13382	28.8
324.14185	5.2
324.18521	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	324.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13892	0.6
52.71329	0.5
55.05503	0.6
57.03437	0.8
57.07076	3.5
57.20418	0.6
57.39273	0.8
58.64690	0.5
63.22374	0.6
64.23014	0.5
68.48380	0.6
69.03432	1.0
70.06223	1.0
70.06587	12.0
71.04993	16.4
75.04480	0.7
80.98930	0.7
83.08612	1.1
85.02915	8.5
85.10182	0.7
89.57144	0.7
91.03976	0.8
91.05463	1.4
97.02892	3.3
99.04433	1.1
103.03936	1.3
106.38812	0.7
109.10144	7.4
120.08091	1.6
124.07613	0.8
127.03931	4.3
127.11193	39.1
145.04982	1.2
145.12238	100.0
164.07048	1.1
165.07375	1.0
183.08435	1.0
225.17097	1.0
270.19608	0.9
298.13034	0.7
324.12332	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	324.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
66.59166	0.6
67.05508	1.5
67.27795	0.7
69.07062	4.7
74.25716	0.7
79.05502	0.8
81.07066	3.6
83.04968	3.2
86.09709	100.0
91.05489	5.3
93.07038	8.1
95.08643	1.0
105.07025	5.4
107.08578	1.5
109.06525	7.0
111.08068	3.9
119.08582	3.8
121.10110	0.9
128.10716	5.9
131.08612	2.8
132.10213	28.4
133.06432	1.1
133.10115	20.8
147.11687	16.3
149.09674	1.4
149.13280	0.8
151.07535	3.8
151.09958	1.4
151.11183	40.0
165.12735	1.4
175.11156	5.0
193.12242	4.9
260.20111	4.7
278.21152	23.2
306.20651	8.7
324.21680	47.6
327.49368	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	324.225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65091	1.9
51.65412	2.2
52.00740	2.1
53.03954	10.9
53.56742	2.0
55.05523	11.4
56.16722	2.0
57.03452	2.6
67.05516	36.3
68.05827	6.4
69.07061	11.6
71.05004	5.4
75.04062	2.1
79.05494	19.3
80.05830	5.9
81.03423	24.0
81.07064	100.0
81.07545	3.5
82.03764	6.4
82.07396	47.1
83.04995	5.3
83.08611	11.1
85.06569	3.3
91.05479	10.7
92.05816	3.1
93.07043	28.6
94.07389	17.4
94.41351	2.5
95.04963	6.1
95.08613	25.2
96.05309	3.6
96.08945	13.8
97.06529	10.2
97.10138	4.7
98.48507	2.6
100.31784	2.5
105.07029	10.4
106.07356	4.6
107.04957	19.6
107.08611	13.2
108.05319	10.7
108.08910	4.4
109.06528	47.1
109.10160	3.7
110.06848	22.7
111.08076	3.5
113.05972	3.5
117.07045	13.4
117.76378	2.4
119.08617	4.8
121.10175	10.1
122.10494	5.7
123.08095	11.3
124.08427	5.1
125.09702	2.8
131.08553	5.7
132.08904	4.1
133.10103	4.8
134.10469	4.5
135.08069	13.9
135.11705	22.4
136.08377	5.4
136.12036	17.8
137.09692	2.5
145.06477	4.8
145.10080	3.6
146.06754	5.7
149.13216	4.4
150.09941	4.4
150.13626	9.6
150.45386	3.1
159.11723	10.1
160.12035	17.3
163.11180	3.6
170.10378	3.5
173.13142	3.2
177.12714	10.4
178.13075	14.9
187.11208	4.2
188.11569	10.4
204.10197	2.4
210.15599	4.4
274.18802	18.8
275.99274	3.1
292.19922	4.7
306.21405	86.9
307.26373	4.3
307.80603	2.8
324.22482	98.2
324.28714	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	324.225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65091	1.9
51.65412	2.2
52.00740	2.1
53.03954	10.9
53.56742	2.0
55.05523	11.4
56.16722	2.0
57.03452	2.6
67.05516	36.3
68.05827	6.4
69.07061	11.6
71.05004	5.4
75.04062	2.1
79.05494	19.3
80.05830	5.9
81.03423	24.0
81.07064	100.0
81.07545	3.5
82.03764	6.4
82.07396	47.1
83.04995	5.3
83.08611	11.1
85.06569	3.3
91.05479	10.7
92.05816	3.1
93.07043	28.6
94.07389	17.4
94.41351	2.5
95.04963	6.1
95.08613	25.2
96.05309	3.6
96.08945	13.8
97.06529	10.2
97.10138	4.7
98.48507	2.6
100.31784	2.5
105.07029	10.4
106.07356	4.6
107.04957	19.6
107.08611	13.2
108.05319	10.7
108.08910	4.4
109.06528	47.1
109.10160	3.7
110.06848	22.7
111.08076	3.5
113.05972	3.5
117.07045	13.4
117.76378	2.4
119.08617	4.8
121.10175	10.1
122.10494	5.7
123.08095	11.3
124.08427	5.1
125.09702	2.8
131.08553	5.7
132.08904	4.1
133.10103	4.8
134.10469	4.5
135.08069	13.9
135.11705	22.4
136.08377	5.4
136.12036	17.8
137.09692	2.5
145.06477	4.8
145.10080	3.6
146.06754	5.7
149.13216	4.4
150.09941	4.4
150.13626	9.6
150.45386	3.1
159.11723	10.1
160.12035	17.3
163.11180	3.6
170.10378	3.5
173.13142	3.2
177.12714	10.4
178.13075	14.9
187.11208	4.2
188.11569	10.4
204.10197	2.4
210.15599	4.4
274.18802	18.8
275.99274	3.1
292.19922	4.7
306.21405	86.9
307.26373	4.3
307.80603	2.8
324.22482	98.2
324.28714	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	324.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70168	0.6
52.27280	0.6
53.00317	0.6
53.71680	0.6
55.01863	0.6
55.05516	5.6
60.94200	0.7
65.67257	0.8
67.05504	7.5
68.05029	0.9
69.07063	4.3
71.04985	1.1
71.08621	4.9
79.05489	3.1
80.05034	9.8
81.07061	12.0
82.06583	1.6
83.05004	0.9
83.08629	5.6
85.06554	0.9
91.05511	0.7
93.07035	4.2
94.06559	0.8
95.08604	11.7
97.06487	0.9
97.10164	4.2
99.08094	3.0
105.07037	1.2
106.99727	0.7
107.08585	4.6
107.43925	0.7
109.10136	6.2
117.06907	0.9
119.08600	0.7
121.10131	3.0
123.08026	0.8
123.11721	1.7
125.39162	0.7
133.10066	1.0
135.11713	1.8
137.09613	1.0
145.10152	1.0
147.11705	1.0
149.13295	1.0
149.79680	0.8
164.14380	1.0
174.12785	2.8
192.13828	9.4
194.15428	2.7
199.67017	0.8
220.02657	0.7
224.16489	1.4
264.19586	1.6
264.23157	6.2
274.21591	3.1
289.25235	1.6
292.20010	2.4
292.22699	69.5
296.25906	1.4
306.24191	3.7
306.27728	1.5
307.26276	14.4
324.25336	100.0
324.28809	7.7
326.82648	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	324.253
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02462	3.3
55.05522	48.6
57.03437	4.1
57.07079	5.6
63.59441	3.0
67.05184	4.5
67.05511	87.4
69.07070	31.8
71.04994	6.1
71.08620	3.5
75.01183	2.9
79.05494	89.0
81.03426	16.2
81.07060	79.7
83.04963	6.0
83.08636	27.0
85.06501	4.4
85.96191	3.0
91.05475	40.8
93.07043	87.2
95.04971	33.9
95.08604	64.7
97.06558	4.7
97.10184	28.6
105.07030	38.6
107.04958	3.8
107.08596	100.0
108.98087	3.2
109.10173	60.1
111.08085	7.6
117.06998	7.0
119.08578	43.9
121.10141	40.4
123.08048	3.9
123.11668	6.9
125.09637	20.6
131.08569	19.8
133.10181	27.7
135.08070	4.3
135.11659	7.6
137.09602	17.8
138.12813	23.4
139.11154	3.8
145.10100	24.0
147.11688	17.2
149.09717	5.2
149.13231	4.7
157.10094	4.3
159.11691	7.9
161.13200	5.7
169.10117	3.4
173.11725	22.8
173.13185	7.8
193.12300	11.3
203.12779	20.7
207.13918	3.2
235.22667	3.4
237.14833	5.9
257.18784	6.0
275.20044	36.4
289.21570	17.5
306.24173	3.6
307.22919	11.0
307.26297	18.1
320.82504	3.2
324.25293	36.5
324.28787	7.4
348.46667	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	324.253
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02462	3.3
55.05522	48.6
57.03437	4.1
57.07079	5.6
63.59441	3.0
67.05184	4.5
67.05511	87.4
69.07070	31.8
71.04994	6.1
71.08620	3.5
75.01183	2.9
79.05494	89.0
81.03426	16.2
81.07060	79.7
83.04963	6.0
83.08636	27.0
85.06501	4.4
85.96191	3.0
91.05475	40.8
93.07043	87.2
95.04971	33.9
95.08604	64.7
97.06558	4.7
97.10184	28.6
105.07030	38.6
107.04958	3.8
107.08596	100.0
108.98087	3.2
109.10173	60.1
111.08085	7.6
117.06998	7.0
119.08578	43.9
121.10141	40.4
123.08048	3.9
123.11668	6.9
125.09637	20.6
131.08569	19.8
133.10181	27.7
135.08070	4.3
135.11659	7.6
137.09602	17.8
138.12813	23.4
139.11154	3.8
145.10100	24.0
147.11688	17.2
149.09717	5.2
149.13231	4.7
157.10094	4.3
159.11691	7.9
161.13200	5.7
169.10117	3.4
173.11725	22.8
173.13185	7.8
193.12300	11.3
203.12779	20.7
207.13918	3.2
235.22667	3.4
237.14833	5.9
257.18784	6.0
275.20044	36.4
289.21570	17.5
306.24173	3.6
307.22919	11.0
307.26297	18.1
320.82504	3.2
324.25293	36.5
324.28787	7.4
348.46667	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	324.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.7
55.05513	30.8
57.03439	17.9
57.07090	27.0
67.05505	75.6
69.07076	40.4
71.05007	6.7
71.08616	3.2
79.05504	48.1
81.07059	100.0
83.04988	4.9
83.08640	32.2
85.06531	18.0
85.10182	7.5
89.76878	2.9
91.05481	54.1
93.07045	82.0
95.04976	15.1
95.08608	96.7
97.06548	6.5
97.10168	14.7
99.08111	7.7
105.07030	49.1
107.08594	56.6
109.06559	5.0
109.10172	44.6
111.08138	3.5
113.06011	6.5
113.09655	7.4
114.06302	3.6
117.07030	18.5
118.47194	3.2
119.08581	67.9
121.10169	42.8
123.08048	4.0
123.11713	13.3
125.09694	4.9
126.32249	3.0
128.47830	3.5
129.07002	15.1
131.08572	31.3
133.06488	7.9
133.10133	38.6
135.08061	15.7
135.11726	15.9
139.11137	3.9
143.08606	6.8
143.88330	3.5
145.10132	21.9
147.11699	30.6
149.09616	6.6
149.13324	4.5
157.10181	16.4
159.11705	35.3
161.13277	24.2
163.11177	5.6
163.14801	3.6
169.10176	4.0
173.13263	20.7
175.14813	3.6
183.11737	3.6
185.13213	30.8
203.14299	17.3
217.15804	4.0
235.16939	28.5
239.18083	4.4
249.18350	4.9
257.18933	15.5
275.20038	17.7
279.17603	4.6
289.21625	33.2
289.25046	7.2
292.19968	14.3
307.26294	78.6
324.28970	60.0
325.23645	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	324.2896
Annotation	Linoleamide MEA
Peak:m/z	Relative Intensity
54.16109	1.8
55.01878	14.6
55.05526	16.3
57.03444	2.1
57.07076	12.6
62.06094	3.8
66.95872	1.8
67.05184	2.4
67.05514	37.8
69.07073	38.3
71.05003	4.2
71.08641	3.8
79.05510	24.6
81.07064	54.0
83.04996	13.4
83.08622	38.4
91.05521	2.9
92.20935	2.6
93.07040	31.6
94.36201	1.8
95.08607	53.0
97.06546	9.7
97.10176	18.6
105.07037	1.9
106.62013	2.0
107.08597	29.5
109.06503	2.6
109.10146	20.5
111.08115	2.4
119.08632	2.7
121.10149	33.1
123.11707	8.7
131.08557	9.4
133.10095	3.1
135.11716	12.4
139.11195	2.8
145.10056	2.6
147.11728	2.2
149.09546	2.4
149.13269	11.5
167.14288	17.9
184.13353	2.8
255.30923	1.9
271.24271	4.3
279.26791	4.1
289.25204	11.3
307.26331	100.0
324.28979	76.7
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	Linoleamide MEA
Peak:m/z	Relative Intensity
55.05518	5.4
57.06828	3.7
57.07085	68.9
58.13177	2.2
60.61745	2.4
62.36142	2.5
67.05511	62.5
69.07075	22.2
79.05502	5.5
81.07061	77.1
83.08612	11.2
85.06560	2.7
91.05472	3.6
93.07040	3.3
95.07999	4.0
95.08610	98.5
97.06510	3.3
97.10187	4.6
105.07044	4.8
107.08597	10.1
109.10169	49.8
111.13386	2.7
111.75600	2.4
119.08626	4.6
121.10156	12.2
123.11732	24.1
127.11174	14.3
133.10085	3.2
135.11693	10.3
137.13222	4.3
147.11702	16.4
155.14326	3.0
169.12202	2.4
170.96687	2.5
181.15863	3.6
191.49924	2.6
274.81842	2.7
289.25183	5.6
307.23508	3.6
307.26324	100.0
324.28934	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	324.2894
Annotation	Linoleamide MEA
Peak:m/z	Relative Intensity
55.05515	6.0
57.07082	17.2
59.13528	1.6
62.06094	100.0
67.05509	29.6
69.07062	9.8
79.05495	3.7
81.07056	38.1
83.08615	6.7
86.97767	1.4
91.05476	3.3
93.07040	7.8
95.08013	1.8
95.08608	37.4
97.10180	2.2
109.10155	15.2
121.10161	3.2
123.10769	1.8
123.11685	6.6
126.92513	1.5
127.11195	2.6
133.10085	2.5
147.11703	2.8
163.14815	2.2
169.71126	1.7
241.68919	1.5
306.27853	3.4
307.26257	23.6
324.28949	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	324.2894
Annotation	Linoleamide MEA
Peak:m/z	Relative Intensity
55.01878	2.9
55.05518	13.9
57.03449	2.0
57.06821	2.4
57.07082	49.7
65.59964	1.3
67.05182	1.9
67.05515	40.9
67.05876	1.7
69.07068	19.8
79.05499	15.4
81.07063	61.7
83.04980	6.3
83.08626	25.0
85.06551	1.6
91.05492	6.6
91.55823	1.5
93.07050	23.5
95.08605	47.6
97.06554	8.1
97.10165	12.0
97.98067	1.4
99.08103	1.7
100.88804	1.4
105.07049	2.2
107.08595	17.1
109.10172	28.1
119.08580	7.1
121.10121	24.7
122.82642	1.5
123.11710	10.4
127.11221	17.9
131.08591	3.6
133.10088	2.5
135.11676	10.7
137.13240	2.0
145.10139	2.4
147.11681	16.3
149.13261	6.3
159.11682	2.2
163.11243	1.6
163.14886	2.1
165.16342	2.2
167.14340	6.4
173.13219	1.6
184.13368	1.8
262.45685	1.9
271.24219	6.2
279.26917	1.7
289.25250	12.3
301.28021	1.5
307.26294	100.0
324.22809	1.7
324.28976	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	324.2897
Annotation	Linoleamide MEA
Peak:m/z	Relative Intensity
53.44098	1.4
55.01888	16.6
55.05521	16.8
57.07080	9.5
67.05508	33.4
69.07069	37.2
71.04992	2.0
71.08618	3.4
79.05496	13.5
81.07059	44.3
83.04980	10.2
83.08624	44.5
85.06546	1.8
93.07041	31.8
95.08611	43.8
97.06536	11.3
97.10160	23.8
105.07011	1.7
107.08601	23.9
109.10158	17.8
111.08042	2.9
117.73316	1.6
119.08575	2.8
121.10144	26.2
123.11710	10.7
131.08594	3.2
131.46626	1.4
133.10107	3.1
135.11687	11.6
145.10152	2.1
149.09576	2.9
149.13228	12.4
151.14864	1.9
159.11623	1.8
163.11148	2.7
167.10689	1.9
167.14317	23.8
173.13173	1.9
177.12685	2.5
181.12347	1.9
184.13303	3.7
260.44611	1.8
279.26828	7.8
289.25345	7.1
299.19455	1.9
306.27747	2.4
307.26315	100.0
324.28961	81.2
337.28482	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	324.2896
Annotation	Linoleamide MEA
Peak:m/z	Relative Intensity
55.05514	10.6
57.07086	45.2
58.54310	1.7
67.05511	58.9
69.07076	11.2
71.08630	48.5
79.05489	4.4
81.07059	91.7
83.08615	11.6
85.10141	2.1
89.12288	2.1
90.61414	2.0
91.05481	3.9
93.07053	10.6
95.08608	72.9
97.10210	8.4
107.08633	7.7
109.10172	28.7
121.10142	11.5
123.11722	22.3
123.90862	2.0
131.08557	3.6
133.10130	20.9
135.11697	3.5
136.09718	2.2
137.13274	5.1
141.12729	26.4
149.13251	8.5
151.11166	2.7
152.09392	2.0
167.14253	3.2
183.13797	3.7
184.17020	3.1
244.03487	2.6
289.25217	4.7
307.26312	100.0
324.29001	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	324.2894
Annotation	Linoleamide MEA
Peak:m/z	Relative Intensity
50.36936	1.2
55.01886	13.9
55.05277	1.3
55.05508	11.9
57.02390	1.3
57.03431	2.9
57.07071	9.2
60.15155	1.2
63.74387	1.3
65.48038	1.3
67.05514	34.6
69.06712	1.8
69.07072	51.4
69.29851	1.5
71.04993	3.2
71.49311	1.4
79.05499	16.1
81.06617	2.1
81.07072	47.3
83.04978	8.5
83.08632	27.2
85.06548	3.1
91.05427	1.8
93.07042	24.6
95.08609	53.5
97.06542	13.4
97.10174	9.8
105.07056	1.7
107.08607	15.5
109.10159	27.6
111.08080	2.8
113.09649	1.7
119.08501	2.3
121.10143	20.3
123.11723	9.8
131.53351	1.6
133.10168	3.4
135.11714	26.6
137.13319	5.0
145.10185	2.7
147.11691	1.9
149.13261	7.6
153.12781	20.7
163.14890	6.1
181.12242	1.8
181.15858	2.8
191.14243	2.0
195.13771	3.3
198.14873	2.6
256.07172	1.7
261.25800	2.0
279.26840	6.1
289.25409	6.3
307.26318	100.0
324.28964	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	324.2895
Annotation	Linoleamide MEA
Peak:m/z	Relative Intensity
55.01888	14.5
55.05514	17.9
56.45388	1.6
57.03463	1.4
57.07071	7.7
59.03338	1.3
60.01408	1.5
66.90723	1.4
67.05509	47.9
69.07073	18.2
71.08633	2.4
79.05482	7.6
81.07064	73.3
83.04970	3.1
83.08620	22.4
85.10168	9.1
85.32897	2.0
93.07041	11.2
95.08605	85.2
97.06543	7.0
97.10172	20.4
99.08096	1.6
105.07026	2.3
107.08594	11.1
109.10154	41.7
113.09666	2.5
115.51375	1.7
119.08555	1.9
121.10104	13.8
123.11695	13.7
125.09631	24.2
125.63540	1.8
131.08546	2.6
133.10094	3.4
135.11685	10.3
137.09662	2.1
137.13239	3.6
145.10205	2.6
147.11639	2.4
149.13242	6.8
163.14838	2.6
165.16261	2.6
173.13332	2.5
187.14809	2.8
209.15480	2.2
223.17072	2.0
279.26895	3.7
286.13620	2.3
289.25241	2.2
307.26297	100.0
324.28931	68.8
341.83664	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	324.3258
Annotation	N-Cyclohexanecarbonyltetradecylamine
Peak:m/z	Relative Intensity
86.09727	14.0
199.00043	2.1
218.53102	2.1
228.19247	2.0
324.32620	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	325.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93792	0.3
65.18222	0.3
89.03204	0.4
89.77428	0.3
91.49447	0.4
93.25900	0.4
110.66811	0.4
133.02847	0.5
140.73949	0.4
171.11597	0.4
215.96930	0.4
242.56776	0.4
264.09692	0.8
267.08490	0.7
276.44650	0.4
280.09592	3.3
281.10019	26.3
292.09650	0.5
293.10049	5.2
294.11026	0.4
295.07947	9.1
307.08038	0.5
308.09232	2.0
309.09497	34.4
310.10254	38.9
325.12637	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1392
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
53.03956	0.7
54.47882	0.4
55.01877	1.8
57.03423	2.5
61.02913	0.5
61.04943	0.4
65.95119	0.4
69.03439	13.8
71.01329	0.6
71.04998	4.4
73.02926	0.8
81.02958	0.6
81.03424	15.0
81.04169	0.5
81.07067	1.1
85.02919	1.9
85.06548	0.8
87.04448	0.5
91.05505	0.5
92.21219	0.6
93.07024	0.9
95.08587	2.6
97.62930	0.5
99.04463	7.8
107.08580	1.1
117.05519	1.6
133.02878	0.5
137.05997	2.4
144.92017	0.4
145.04944	0.5
145.07520	0.6
147.04347	0.5
147.09180	3.1
151.79520	0.4
155.11768	0.4
163.08714	0.5
173.07095	3.0
173.13376	0.6
175.08736	6.9
191.08157	100.0
215.11852	0.5
231.11273	0.6
233.09370	0.9
289.11749	0.9
293.08109	0.5
293.89590	0.5
307.10007	0.8
307.12881	21.9
325.13965	43.9
325.22177	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	325.1393
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
53.03942	0.5
55.01868	1.9
57.03429	1.9
59.05007	0.3
61.02913	0.5
66.86212	0.2
69.03434	13.0
69.57694	0.2
70.06586	0.5
71.01331	0.3
71.04649	0.3
71.04997	6.1
73.02905	0.7
78.53594	0.2
81.02956	0.5
81.03426	14.4
81.38066	0.3
84.08147	4.7
85.02869	0.3
86.09740	0.4
99.04456	6.5
110.07149	0.4
112.07696	0.3
113.05236	0.3
116.04842	0.2
117.05496	1.3
119.73309	0.3
120.08081	0.4
121.48914	0.3
132.06599	0.5
133.02852	1.6
137.02373	0.3
137.06000	1.4
145.07579	1.2
147.09169	2.8
162.07881	0.4
163.08655	0.5
169.09694	2.7
173.05811	0.5
173.07104	4.3
175.07378	0.6
175.08684	8.4
191.08153	100.0
193.13803	0.3
197.09238	1.1
201.05496	0.6
205.06473	0.4
205.09763	0.6
208.02934	0.4
215.11792	0.4
219.08307	0.3
231.11287	0.6
233.09221	1.4
247.07545	0.4
258.66434	0.3
262.15601	0.4
265.08554	0.5
289.12045	0.5
292.07083	0.5
307.09802	0.9
307.12872	21.8
316.89362	0.3
317.70303	0.3
325.10770	1.9
325.13943	42.7
325.18369	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	325.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90927	0.4
51.90302	0.3
53.03954	0.5
55.01898	1.4
57.03435	2.7
61.02936	0.4
61.96856	0.4
69.03439	13.2
71.05002	5.0
73.02920	0.6
77.80127	0.4
81.03426	16.4
82.96220	0.4
83.37149	0.4
84.08141	1.0
85.02891	0.7
86.09674	0.5
86.36533	0.4
87.04483	0.6
91.05451	0.9
99.04464	6.3
117.05473	1.8
119.04945	3.6
125.02347	0.7
133.02875	0.7
137.05980	0.8
145.07576	0.9
147.04416	36.3
147.09222	3.6
162.07884	0.6
163.03960	0.4
163.08731	0.7
165.05379	0.6
173.07132	3.5
175.08643	7.7
191.08162	100.0
205.09749	0.6
233.09291	1.8
243.11397	0.5
289.11914	0.7
307.12903	22.0
325.09528	2.4
325.13953	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	325.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.6
57.50319	0.4
68.45422	0.5
69.07063	0.9
75.49019	0.4
77.69450	0.5
79.05476	0.9
81.07062	1.1
81.88922	0.5
87.72340	0.5
89.01228	0.5
91.05475	3.3
93.07017	1.2
94.04112	0.4
95.04980	0.5
95.08575	1.2
99.32455	0.4
103.05490	5.3
105.07034	2.1
107.04928	1.1
107.08588	1.1
109.06496	0.8
109.10152	0.6
115.05437	2.5
117.07025	4.6
119.04928	0.6
119.08577	7.6
121.06470	1.0
122.03615	0.8
123.08075	0.9
128.06180	1.0
129.07011	5.4
131.04924	18.0
131.08609	1.0
132.05739	3.0
133.02882	0.9
133.06471	1.2
135.08028	0.9
136.06139	0.6
137.05986	73.9
137.09534	0.9
139.07573	0.6
141.06966	3.9
145.06479	1.9
145.10152	1.9
147.08055	18.7
149.05927	0.7
151.07549	5.8
157.06474	2.8
159.07988	0.8
160.05165	3.1
161.05975	5.5
161.09619	1.9
163.07541	20.9
165.09129	0.6
165.84344	0.5
169.06480	18.9
173.09651	0.9
175.07544	100.0
185.09735	0.6
185.13318	0.5
186.06808	1.0
187.07530	5.0
188.08339	1.9
189.09103	7.9
199.14790	2.1
201.05409	0.6
201.09109	7.3
201.58699	0.5
205.10188	1.0
208.14690	0.5
209.13350	0.9
217.15878	3.2
227.14333	3.8
233.09683	5.3
237.09041	0.6
244.16930	4.7
245.15273	7.3
261.09006	4.6
262.17996	1.9
263.16403	4.1
265.08759	0.7
265.12271	2.7
267.60858	0.6
273.14810	4.5
278.09399	1.2
291.15869	2.4
293.08282	0.9
293.11642	5.9
295.09634	0.8
303.98602	0.6
307.09637	0.9
308.18555	20.0
309.09518	0.7
310.11304	0.6
325.10977	3.0
325.14352	72.7
325.20779	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	325.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02576	0.6
59.04978	0.8
62.28292	0.7
65.47775	0.7
77.74532	0.8
91.05463	4.4
95.08652	0.9
103.05476	1.9
111.69461	0.8
115.05463	1.8
117.07045	1.5
119.08559	7.4
127.22961	0.8
128.06158	1.4
129.06990	4.0
131.04916	13.0
133.02832	7.2
137.05980	65.7
141.06955	4.6
145.06476	1.3
147.04399	1.3
147.08040	18.3
151.07506	4.2
157.06424	1.4
158.07224	0.8
161.05962	6.3
163.07550	11.5
169.06477	18.5
173.05899	0.9
175.07539	100.0
186.06729	1.2
187.07487	4.9
188.08243	1.3
189.09090	10.5
201.05469	5.8
201.09106	5.5
205.06369	1.3
233.05846	2.7
233.09584	3.4
236.71788	0.8
237.09047	1.8
247.07315	0.9
261.08966	3.7
265.08585	3.7
265.12170	4.0
266.00900	0.9
278.05539	1.0
292.07343	4.1
293.08109	3.2
293.11700	5.0
307.09598	1.9
325.10638	10.8
325.14288	76.2
325.20276	9.2
325.25903	1.2
346.44434	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	325.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83587	0.5
81.07047	0.9
91.05449	1.3
95.08588	1.1
103.05490	0.7
109.06510	1.6
115.05424	0.8
117.06937	1.0
119.08537	3.3
129.06970	1.4
131.04922	9.5
133.02827	1.5
137.05980	29.6
141.06944	1.2
147.08069	7.5
161.05913	1.4
163.07547	8.5
169.06483	9.4
175.07536	47.6
186.06625	0.8
187.07457	1.1
189.09047	3.9
192.07870	0.6
201.05353	1.2
201.09007	1.7
213.21567	0.7
233.05826	0.8
233.09399	0.9
250.06148	0.9
261.09161	0.9
265.30368	0.7
267.08536	1.0
280.09384	4.2
281.10025	29.4
289.17853	0.9
292.06967	0.9
293.09799	5.3
295.07953	11.5
308.08881	1.3
308.88467	0.7
309.09525	38.1
309.13086	1.5
310.10287	46.5
310.71011	0.7
325.12479	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.7
56.05042	2.1
60.05662	0.4
67.05532	1.4
69.07075	3.5
69.07381	0.4
70.06579	2.9
71.04990	0.5
76.05145	0.6
84.08151	100.0
85.02884	3.2
85.06554	1.9
86.09763	0.4
96.08131	0.6
97.02912	0.5
97.49998	0.4
101.10803	2.6
102.43757	0.3
103.03938	0.4
108.28793	0.4
109.02897	0.4
112.07626	6.7
116.08270	0.5
120.08116	0.6
123.09196	6.5
124.07570	0.5
127.03892	0.9
129.10228	2.1
130.08627	0.4
137.05925	0.5
148.57487	0.4
151.08633	7.8
163.06024	0.7
165.48418	0.4
169.09723	61.3
173.09245	0.6
178.09761	5.8
179.08162	2.2
196.10826	2.4
197.09227	26.1
229.48610	0.4
261.17026	0.8
262.15509	5.7
289.16620	7.3
292.07367	0.5
293.07996	0.7
307.09735	0.5
307.17609	14.4
308.16193	1.7
325.10626	2.0
325.18704	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	325.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39182	0.8
55.01875	5.9
55.05512	4.6
67.05516	19.5
69.03440	1.2
69.07085	8.3
71.04987	4.7
79.05489	4.9
81.07068	20.0
83.04980	4.6
83.08639	2.2
85.06535	2.5
91.05482	17.6
93.07059	13.6
95.04960	4.5
95.08610	5.3
97.06519	1.9
99.04469	2.2
99.91619	1.2
105.07038	20.4
107.08616	24.1
109.06535	9.0
109.10164	55.7
109.10905	2.4
111.08076	5.2
113.06044	1.6
117.06933	1.1
119.08572	6.5
121.10138	2.5
123.08083	2.3
123.11690	7.7
127.07529	4.2
131.08568	1.7
133.10133	58.3
135.08046	1.5
137.09637	4.7
141.47670	1.3
145.10066	1.1
147.11610	1.1
151.11180	22.7
151.12346	1.5
165.09085	4.9
169.10057	1.1
169.12315	1.2
179.10699	1.5
183.10208	5.9
211.88713	1.1
261.18420	5.5
265.17950	1.2
271.17010	1.7
289.18011	8.4
307.19055	7.9
325.20081	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2007
Annotation	Dinor-PGE2
Peak:m/z	Relative Intensity
53.03950	5.5
55.01876	5.0
55.05518	15.3
56.00741	3.1
57.03431	19.8
63.65228	3.1
67.05515	48.1
69.03432	7.3
69.07058	15.7
71.04996	6.5
75.33728	3.3
78.90882	3.4
79.05502	25.1
81.03436	44.2
81.07069	59.6
83.04983	46.2
83.08617	14.5
83.76830	2.9
88.44908	3.8
91.05461	26.7
93.07056	39.7
95.04967	16.7
95.08618	35.2
97.06519	42.5
97.10168	8.3
98.47134	3.3
99.08067	3.8
105.07037	27.6
107.04942	37.4
107.08604	31.1
108.49258	3.5
109.06540	20.4
109.10164	25.0
111.04446	30.8
111.08097	5.7
117.07017	7.2
119.08569	23.3
121.06499	21.6
121.10142	8.1
123.04405	7.6
123.08070	23.1
125.06016	13.9
125.09628	8.0
131.08607	16.3
133.06493	3.9
133.10143	29.5
135.11684	23.9
137.09647	5.5
143.62167	4.2
145.06482	13.8
145.10176	4.8
147.08109	4.5
147.11664	5.5
149.09653	5.5
149.13333	5.2
151.11110	7.8
159.08058	18.1
159.11688	25.9
163.07468	6.2
163.11188	6.7
169.10048	6.7
175.11125	4.4
177.12770	16.0
187.11201	8.8
205.12125	3.6
223.13306	24.2
233.15366	15.3
241.14319	35.2
261.18518	8.4
271.16837	16.6
275.20120	8.7
289.17996	100.0
307.19028	62.8
325.20163	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	325.216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35877	1.3
55.01880	4.0
55.05518	7.4
57.03429	1.3
57.07074	7.1
60.09349	1.6
66.92230	1.7
67.05509	21.9
69.03433	2.5
69.07080	13.5
71.04966	2.9
76.23350	1.6
79.05498	13.9
79.63993	1.6
81.03452	2.3
81.07065	32.1
82.07406	1.7
83.05000	4.1
83.08621	11.9
85.02901	7.2
85.06564	4.1
91.05483	21.9
93.07037	31.5
95.04956	30.7
95.08607	21.7
96.08932	2.3
97.06548	15.1
97.10184	2.8
103.03946	2.7
105.07034	24.0
107.05013	2.8
107.08604	23.9
107.76436	1.7
109.06523	6.9
109.10149	19.7
110.10482	2.1
111.08090	2.4
114.06927	1.7
117.07043	3.6
119.08580	22.1
121.06533	3.6
121.10138	18.7
123.08094	3.1
125.05949	2.7
127.03893	4.4
129.06992	3.3
131.08528	15.2
133.06512	2.2
133.10135	14.1
135.08063	3.1
135.11707	2.5
137.05089	2.0
137.09625	3.7
142.07751	3.3
143.08562	18.3
145.10121	21.6
147.08040	3.9
147.11702	7.4
149.09644	3.7
149.13341	3.2
155.08591	8.7
156.09383	2.3
157.10107	22.0
159.08032	4.2
159.11713	11.5
161.09613	8.5
163.11154	3.5
167.08556	4.3
168.09361	2.6
169.10136	11.8
171.11719	9.8
173.13258	10.4
175.11177	2.8
177.12799	1.9
179.08542	2.6
181.10130	9.2
182.10983	2.8
183.11702	13.6
185.09628	10.6
185.13278	3.5
191.14339	2.5
192.09300	3.3
193.10144	10.2
194.10936	7.3
195.11728	13.5
197.13185	12.6
199.11188	2.7
199.14905	3.9
205.10075	2.2
207.11688	11.3
208.12521	7.6
209.13304	12.0
210.13997	2.0
211.14867	9.3
213.12869	2.1
221.13295	7.8
223.14818	17.4
225.12764	3.6
227.14420	4.0
232.12544	2.1
233.13301	8.7
233.15498	3.2
234.13951	2.2
237.12854	3.0
237.16371	3.2
239.14502	2.3
247.14656	2.3
249.16203	2.9
251.14352	9.3
263.17926	2.6
265.15771	2.2
269.15430	3.5
275.20139	9.6
279.21213	2.5
289.19296	2.2
297.22260	4.0
307.20538	24.7
308.26572	13.5
325.21634	100.0
325.29416	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	325.2369
Annotation	Decylubiquinol
Peak:m/z	Relative Intensity
55.01891	4.1
55.05521	23.5
57.89365	3.4
63.25291	2.8
67.05520	34.9
69.07082	5.7
71.08636	40.7
79.05490	17.5
81.03436	7.4
81.07056	16.6
83.08614	19.4
83.40099	3.1
91.05476	13.6
93.07042	16.9
95.04975	12.8
95.08634	25.4
97.06535	4.1
97.10175	19.6
99.08116	24.0
105.07039	5.1
107.08604	26.0
109.10161	23.1
111.04485	5.5
111.08058	6.2
119.08545	7.5
121.10133	6.1
125.09619	17.3
133.10156	5.4
135.08015	3.8
135.11685	4.4
137.09662	4.4
139.11194	12.9
145.10095	5.9
147.11745	3.6
149.09621	3.7
151.11240	23.7
155.10643	4.7
159.11676	5.3
161.99011	3.3
163.11185	15.6
173.11746	4.4
174.51648	3.1
177.12753	11.9
185.02052	3.5
187.11331	4.0
191.67622	3.8
193.12177	6.2
195.13904	5.0
275.20084	23.6
288.27493	4.0
293.21130	100.0
307.22571	24.4
325.23706	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	325.2369
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
55.01876	4.4
55.05515	17.3
57.03453	3.4
57.31667	2.5
60.89776	3.3
67.05511	47.3
69.07067	35.6
71.05000	5.0
72.14053	3.1
79.05500	37.5
80.74852	2.6
81.07065	80.9
81.69884	3.1
83.05019	3.5
83.08620	21.9
85.06530	4.2
88.22445	3.0
91.05476	29.1
91.34345	2.6
93.07055	49.5
95.04951	6.5
95.08610	53.4
95.39628	3.0
97.06525	15.3
97.10159	8.0
99.08071	3.6
105.07040	43.3
107.05000	5.6
107.08599	44.3
109.06525	7.5
109.10152	40.1
111.08114	5.2
117.06995	5.0
119.08586	41.7
120.50574	3.3
121.06496	3.3
121.10139	32.2
123.08066	18.7
123.11668	5.2
124.52924	3.2
125.09627	7.8
131.08565	25.6
133.10117	39.6
135.08063	14.1
135.11711	25.4
137.09621	4.7
137.13284	4.6
145.10129	16.8
147.11690	23.9
149.09633	18.2
149.13251	15.8
149.40317	3.5
151.11157	4.3
152.36656	3.6
157.10075	4.3
159.11674	22.2
161.13202	3.7
163.11165	15.7
171.11649	5.6
173.11772	6.2
173.13223	6.9
175.11157	4.6
177.12796	5.1
203.12799	5.0
210.61702	3.1
221.95839	3.2
231.17427	3.8
239.17947	4.5
247.20674	3.9
257.19073	12.3
275.20044	100.0
289.21646	18.8
293.21054	20.4
307.22842	43.6
307.26105	6.8
325.27356	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	325.2369
Annotation	Decylubiquinol
Peak:m/z	Relative Intensity
55.01891	4.1
55.05521	23.5
57.89365	3.4
63.25291	2.8
67.05520	34.9
69.07082	5.7
71.08636	40.7
79.05490	17.5
81.03436	7.4
81.07056	16.6
83.08614	19.4
83.40099	3.1
91.05476	13.6
93.07042	16.9
95.04975	12.8
95.08634	25.4
97.06535	4.1
97.10175	19.6
99.08116	24.0
105.07039	5.1
107.08604	26.0
109.10161	23.1
111.04485	5.5
111.08058	6.2
119.08545	7.5
121.10133	6.1
125.09619	17.3
133.10156	5.4
135.08015	3.8
135.11685	4.4
137.09662	4.4
139.11194	12.9
145.10095	5.9
147.11745	3.6
149.09621	3.7
151.11240	23.7
155.10643	4.7
159.11676	5.3
161.99011	3.3
163.11185	15.6
173.11746	4.4
174.51648	3.1
177.12753	11.9
185.02052	3.5
187.11331	4.0
191.67622	3.8
193.12177	6.2
195.13904	5.0
275.20084	23.6
288.27493	4.0
293.21130	100.0
307.22571	24.4
325.23706	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	325.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.3
53.77346	2.6
55.01883	3.8
55.05523	24.6
57.03442	6.9
64.23901	2.9
67.05512	41.4
69.07076	19.6
71.05009	4.9
79.05492	31.3
81.03426	3.8
81.07063	71.2
83.05000	23.8
83.08630	23.0
85.06528	4.4
86.25969	3.1
91.05479	31.6
93.07042	49.2
95.04964	6.6
95.08609	53.6
97.06518	13.1
97.10156	34.1
99.08074	30.8
105.07040	50.2
107.04915	7.1
107.08602	55.9
109.06512	23.2
109.10162	40.9
111.08066	13.8
112.98068	3.5
117.07056	7.6
118.97741	3.0
119.08588	54.6
121.06487	4.2
121.10151	45.6
123.08050	17.5
123.11729	13.9
125.09642	33.2
131.08571	30.6
133.10136	67.3
135.08043	12.4
135.11681	29.6
137.09615	14.1
139.07571	3.3
139.11215	3.5
145.10109	37.4
147.11679	42.7
149.09633	24.0
149.13297	4.5
151.11211	14.1
157.10101	12.9
159.11688	21.8
161.09601	6.8
161.13345	12.2
163.11147	30.6
169.10143	4.9
173.13226	4.5
175.11145	4.8
177.12656	3.9
180.04980	3.8
183.11687	5.7
203.12819	13.2
213.16386	13.8
215.17900	5.2
239.17934	16.5
249.18393	8.3
257.19058	28.6
263.20035	5.9
275.20084	100.0
281.21313	6.6
287.52158	3.8
289.18106	15.9
289.21527	68.0
293.20987	6.1
307.19049	14.7
307.22653	56.3
325.19946	26.1
325.23856	33.7
329.35699	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	325.237
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
53.44103	1.1
55.05522	8.2
56.98012	1.1
57.07077	5.0
61.93151	1.0
67.05509	12.0
67.39207	1.0
69.03405	1.6
69.07076	14.7
70.07388	1.2
71.08626	22.6
79.05490	6.1
81.07069	25.2
81.07529	1.9
83.08614	7.7
86.32588	1.0
91.05472	5.6
93.07057	10.9
95.04967	5.9
95.08612	22.2
97.06529	2.2
97.10172	3.0
99.04495	1.5
99.08085	14.4
105.07037	5.5
107.08609	11.2
109.06524	17.0
109.10148	11.2
117.07020	1.3
119.08544	8.9
121.06518	2.3
121.10143	7.7
123.11671	2.7
127.99124	1.3
131.08565	4.7
133.10118	9.6
135.08063	2.6
135.11671	2.8
137.13258	1.5
139.11198	10.6
140.42943	1.3
141.09102	2.6
145.10135	2.8
147.11726	2.2
149.09622	2.8
149.13324	1.9
151.11215	1.6
151.90660	1.3
153.12753	1.3
155.43898	1.2
158.44807	1.3
159.11652	2.9
161.13229	2.3
163.11183	5.0
163.14859	2.2
165.12724	42.9
165.14043	2.0
168.29565	1.3
173.13223	2.3
177.12769	7.4
178.43764	1.4
181.15901	12.5
191.14287	5.8
215.14139	1.2
251.16360	6.1
251.23755	1.4
261.22150	17.3
275.20013	2.9
279.23090	4.8
289.21613	39.7
293.21225	3.7
307.22644	100.0
308.26678	6.5
325.23560	4.3
325.29227	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	325.2372
Annotation	Decylubiquinol
Peak:m/z	Relative Intensity
53.03955	5.5
54.03933	3.7
55.01881	44.4
55.05520	48.3
56.84678	3.8
57.07080	9.0
64.72558	3.9
67.05515	85.1
69.07066	45.6
71.04999	5.4
71.08646	8.5
79.05486	40.8
81.03418	8.4
81.07061	100.0
83.04989	21.0
83.08607	34.1
85.06546	9.9
91.05473	41.0
93.07033	49.2
95.04955	23.8
95.08619	70.5
97.06527	9.8
97.10154	20.6
105.07042	29.3
107.04957	11.8
107.08595	59.3
109.06519	9.2
109.10144	65.8
111.04390	8.6
111.08087	8.3
113.09650	6.7
117.06973	17.5
119.08546	33.4
119.47495	4.7
121.06512	5.4
121.10127	24.5
123.08054	11.3
123.11700	11.6
125.09612	53.5
129.06998	5.4
131.08566	26.9
131.74455	5.8
133.10156	67.4
135.08028	7.7
135.11687	28.3
137.09627	32.4
145.10124	24.8
147.11653	7.1
149.09616	22.4
149.13275	9.6
151.11163	65.5
153.09140	5.4
163.11194	28.1
167.10574	5.8
173.13179	5.0
177.12747	23.5
181.12262	6.2
183.13896	10.8
195.13815	7.4
198.61850	5.5
219.13869	6.3
247.20593	10.8
257.18970	9.2
275.20056	78.5
284.29437	7.2
289.21420	10.1
293.21066	86.4
307.22702	64.8
308.26788	6.8
325.23727	50.4
325.29349	8.7
328.21161	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	325.2371
Annotation	Decylubiquinol
Peak:m/z	Relative Intensity
55.01888	7.6
55.05516	24.1
56.66967	2.7
57.03441	25.3
67.05512	45.1
69.03436	5.5
69.07063	34.6
71.04989	19.6
79.05506	33.9
81.07063	67.0
82.28469	3.7
83.04945	3.4
83.08618	21.3
85.06538	3.7
85.11504	3.6
91.05491	25.3
93.07034	56.4
95.04982	13.9
95.08608	46.8
97.06538	27.0
97.10161	28.4
99.08070	4.1
105.07036	22.7
107.08591	51.5
109.06525	15.3
109.10166	27.4
111.08072	32.2
114.82603	3.2
117.07024	7.9
119.08587	26.7
121.10143	41.8
123.08076	4.3
123.11670	8.2
125.09619	35.8
128.73154	3.5
129.07050	3.6
131.08575	24.4
133.10088	27.4
135.08067	17.9
135.11719	13.9
137.09613	7.6
139.11160	19.2
143.08566	4.8
145.10115	20.7
147.11693	20.9
149.09666	16.4
149.13307	3.8
159.11668	21.6
161.13318	4.3
163.11157	5.7
165.12717	3.7
173.13232	4.2
177.12762	3.6
185.13293	4.9
189.11169	4.8
203.12753	14.7
203.14410	5.1
217.14404	5.9
239.17984	5.9
257.19031	8.9
263.20102	6.4
275.20053	100.0
284.29709	5.3
286.28311	4.1
293.21103	44.6
307.22702	36.3
325.23697	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	325.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.6
55.05523	4.5
56.15133	0.5
57.07058	0.5
61.70930	0.5
65.38808	0.5
67.05502	5.9
69.03445	0.5
69.07066	2.3
70.89783	0.5
71.08632	8.6
75.39836	0.5
79.05492	2.6
79.77659	0.5
80.44113	0.5
81.07053	6.4
83.04969	0.6
83.08618	3.5
85.06560	0.8
91.05456	2.4
93.07040	4.1
95.04941	0.9
95.08619	5.4
97.10172	6.8
99.08089	7.3
105.07030	3.2
107.08600	6.1
109.10149	2.5
110.85598	0.5
111.08004	0.7
119.08602	2.0
121.10110	0.8
125.09646	7.3
131.08572	1.1
133.10136	1.4
141.09007	0.5
145.10118	1.2
149.13316	0.8
153.09128	0.6
159.11745	0.7
165.12749	3.4
177.12761	0.8
178.69820	0.5
203.12827	3.1
275.20062	6.4
288.95197	0.6
293.21100	100.0
307.22717	8.4
308.26675	1.2
325.23645	1.3
325.29355	2.5
328.55368	0.6
332.92386	0.7
349.15759	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07334	2.3
55.01639	4.3
55.01883	71.7
55.05523	44.6
57.03448	4.3
57.07083	27.6
62.06098	53.2
63.06427	3.7
63.54784	2.1
67.05509	70.4
68.05846	3.4
69.07071	39.2
71.08620	13.8
75.30938	2.8
79.05497	29.6
81.03428	6.2
81.07060	72.8
82.07384	4.6
82.76813	2.5
83.04992	7.0
83.08612	20.3
85.06544	11.0
91.05490	28.1
93.07047	46.0
95.04987	22.8
95.08614	73.1
96.08931	14.0
97.06538	10.9
97.10162	21.6
98.10547	2.5
99.08104	5.3
105.07037	15.6
107.04945	17.8
107.08589	29.7
109.06532	6.9
109.10172	37.9
110.10467	6.1
111.04422	3.5
111.08097	3.2
117.07009	6.4
119.08575	23.1
121.06500	10.6
121.10162	22.1
123.08073	17.1
123.11701	4.4
124.12042	3.5
125.09621	100.0
131.08559	13.9
133.10121	23.6
133.15973	3.2
135.08044	14.2
135.11707	7.0
136.11845	2.8
137.09602	23.7
139.11211	4.0
141.06854	3.3
141.09126	3.8
145.10097	17.0
147.11752	5.7
149.09625	19.3
149.13277	4.0
151.11197	40.6
159.11650	12.7
163.11197	11.6
165.12764	3.7
167.10680	4.4
169.12233	3.9
173.13252	5.2
177.12811	21.0
181.12233	4.5
187.11198	4.0
187.42616	3.0
189.13159	2.7
191.14322	6.7
195.13756	5.2
229.19525	4.0
247.20613	11.2
257.18976	16.9
275.20065	64.0
293.21082	46.0
307.22641	51.2
307.28146	3.5
308.26639	40.2
325.23596	18.2
325.29236	53.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54268	1.3
55.01865	2.9
55.05515	7.5
55.39441	1.4
57.03439	7.6
63.24775	1.4
67.05503	28.0
67.47980	1.4
69.03442	1.6
69.07067	14.0
69.51150	1.5
71.02882	1.3
71.04993	2.9
73.06568	1.6
79.05496	22.0
81.03410	3.0
81.07058	40.6
83.05003	2.6
83.08622	12.8
85.06542	3.4
86.06057	6.2
91.05481	15.7
93.07040	31.1
95.04972	6.9
95.08613	24.5
97.06528	16.5
97.10144	6.7
98.06654	1.4
99.08082	3.8
100.96112	1.7
105.07027	22.7
107.04965	6.5
107.08591	19.3
109.06512	10.6
109.10178	12.7
111.04423	2.8
111.08044	3.2
117.07008	10.3
119.08589	23.8
121.06506	8.0
121.10149	27.2
123.08035	3.5
123.11717	2.1
123.97766	1.6
125.05947	3.4
125.09636	6.9
129.07005	6.8
131.08533	16.2
133.10126	33.1
135.08057	14.3
135.11693	23.9
137.09595	9.6
138.12117	1.9
143.08530	6.3
145.10095	18.7
147.08083	3.4
147.11684	29.3
149.09625	9.6
149.13255	7.2
151.11223	2.9
152.10594	1.7
153.09149	2.5
154.03345	1.6
157.10136	7.6
159.08080	2.6
159.11629	12.8
161.09583	18.2
161.13246	10.6
163.07545	3.6
163.11157	7.8
169.10054	4.0
171.11655	16.2
173.09628	2.5
173.13292	2.7
175.11171	19.3
177.12709	2.4
178.12227	2.9
181.10127	3.1
183.11664	2.2
185.13245	3.9
187.11125	3.6
189.12758	13.0
193.12202	3.1
195.11717	3.5
200.12856	2.6
201.16383	1.9
210.08694	3.8
213.16399	10.1
227.17944	12.3
233.15407	3.0
233.41562	1.6
237.16508	12.0
245.18951	8.0
250.14375	3.1
255.17413	21.6
262.21667	7.5
263.20062	2.0
271.16800	3.9
272.20135	19.3
273.18445	38.9
289.17999	28.7
290.21100	46.1
291.19562	23.5
307.19055	14.0
307.23645	1.5
308.22217	22.2
325.16183	2.9
325.19858	24.1
325.24811	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45469	2.8
54.03367	3.3
55.01889	3.7
55.05519	7.5
57.07073	8.9
67.05504	51.2
69.07064	19.7
71.04989	4.7
79.05502	31.3
81.07060	56.3
83.08624	26.5
85.06502	4.9
88.85960	3.6
91.05501	8.1
93.07057	39.2
95.08604	48.7
96.08908	4.5
97.06494	5.7
97.10181	9.3
105.07029	8.1
107.08604	26.6
109.10159	26.8
110.28813	3.5
111.08091	5.3
111.37865	4.0
119.08562	18.5
121.10134	48.3
129.85663	3.7
133.10112	20.6
134.10393	4.4
135.11679	38.7
145.10129	4.4
147.11716	6.6
149.13260	18.9
151.11201	4.7
157.10004	4.5
159.11758	4.0
161.13213	4.9
173.13205	4.5
177.42981	3.8
232.62337	4.2
284.29581	5.2
290.24689	5.4
291.23218	33.7
293.20889	5.6
308.25925	100.0
325.28531	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	326.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86914	0.3
63.99443	0.3
64.44105	0.3
65.62767	0.3
72.02863	0.3
81.07066	0.5
87.04468	1.6
102.25021	0.4
109.06504	0.3
119.32925	0.3
137.06009	0.4
141.08997	0.3
146.88747	0.4
166.18056	0.4
189.07887	1.7
212.49121	0.4
265.01761	0.4
278.07855	0.5
289.10089	0.4
292.61484	0.4
294.11261	27.2
296.09171	9.0
308.19345	0.6
310.10684	3.2
311.11493	31.0
326.10364	7.2
326.13849	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	326.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.1
57.03434	1.6
61.02924	1.5
62.80740	0.9
63.98046	0.7
67.58536	0.7
69.03431	19.0
69.74149	0.7
70.06593	100.0
70.43589	0.9
71.04990	0.8
73.02908	3.7
74.76159	0.7
81.03426	12.4
84.08163	1.9
85.02904	65.6
86.09702	22.9
87.00832	29.1
91.03945	1.1
97.02892	22.5
98.06046	5.3
99.04454	9.5
105.01868	53.7
109.02872	20.3
116.07086	16.5
116.58579	0.8
117.95518	0.9
120.08102	9.3
121.08426	1.3
122.06002	1.2
126.05478	1.1
127.03910	47.0
129.01828	2.1
129.10236	1.6
136.07529	0.9
140.07117	1.5
145.04956	19.4
148.04767	1.9
154.04965	1.7
155.05301	2.1
158.71394	0.9
159.02922	8.1
183.14948	11.8
189.03934	1.1
211.12427	0.8
211.14394	25.3
213.03902	1.3
213.12318	52.8
220.60930	0.9
231.04997	18.4
234.03941	1.0
249.06032	11.9
291.10767	1.4
314.09705	0.9
326.14359	5.6
326.20813	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	326.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43658	0.5
55.01871	1.4
55.05516	11.3
59.05026	0.6
61.02935	0.8
69.03416	1.1
69.07069	12.6
70.06593	11.5
71.05009	0.7
72.08177	0.9
73.02921	0.6
73.08540	0.6
79.97443	0.6
81.39561	0.6
83.08625	60.0
84.08174	1.0
85.02900	10.8
86.09698	2.7
87.04373	0.6
91.05480	0.7
93.07053	2.3
97.02892	2.5
99.85557	0.6
103.03930	0.7
103.94447	0.6
105.07047	3.1
109.02861	1.0
110.07171	1.4
111.08080	31.8
112.63088	0.7
116.07084	2.8
120.08095	2.6
124.95349	0.6
127.03941	1.0
129.09119	100.0
130.06549	1.3
132.08089	36.8
132.09088	1.3
137.06049	0.9
138.06314	0.7
145.04965	1.1
147.10164	29.9
178.08673	5.7
183.14896	3.1
195.49956	0.7
198.39604	0.7
203.82355	0.7
211.14459	1.4
213.12460	0.9
255.04585	0.7
256.51364	0.7
258.64160	0.6
280.11716	10.6
326.12323	6.7
326.16953	0.8
326.20764	1.1
333.71222	0.7
333.75586	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	326.2324
Annotation	Bisoprolol
Peak:m/z	Relative Intensity
53.03959	4.5
61.69346	0.4
69.07067	0.4
70.06589	3.5
71.04997	15.1
78.79923	0.3
81.07063	0.8
88.07632	100.0
92.05818	0.4
93.07074	0.5
95.04910	0.4
95.08576	0.5
145.10196	0.5
163.11084	0.4
183.20883	0.4
195.14404	0.5
221.15486	0.7
253.21785	0.4
254.22057	0.4
291.19522	6.8
308.22192	0.9
326.23260	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	326.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	2.5
53.03959	3.2
55.01872	5.1
55.05519	39.0
56.05037	19.6
57.03439	6.6
57.07075	13.7
67.05511	86.2
69.03416	6.8
69.07066	48.2
71.05002	4.1
71.08639	20.5
79.05493	56.0
81.03430	7.0
81.07063	100.0
83.04977	19.7
83.08625	41.7
91.05486	25.7
93.07048	68.5
95.04959	25.4
95.08609	64.2
97.06548	16.1
97.10155	25.3
99.08111	12.6
102.01761	3.2
105.07030	30.1
107.08601	47.0
109.06550	4.5
109.10168	46.7
111.08123	13.0
117.07033	7.1
119.08574	35.0
121.10168	25.7
123.08081	4.4
123.11732	12.5
125.09637	13.4
131.08549	13.7
133.10133	31.1
135.08076	5.2
135.11710	19.1
135.30841	3.5
137.09581	11.5
137.13254	4.3
139.11197	28.9
140.14326	40.8
143.08607	6.4
145.10138	5.9
147.08041	3.4
147.11679	27.5
149.13268	14.3
151.11168	6.1
157.10168	3.8
161.13245	23.4
163.14767	4.0
165.12793	6.8
173.11687	16.2
175.11171	4.3
175.14847	13.1
187.13245	5.4
193.12206	16.6
203.12801	12.4
207.13741	5.5
225.14796	5.3
226.18005	22.9
241.19571	4.9
259.20706	5.1
267.58069	2.9
271.69540	3.6
277.21588	80.0
285.10382	3.1
291.23132	18.2
294.21347	4.9
308.25885	15.6
309.24161	34.3
326.26917	42.7
329.95123	3.4
332.48434	3.4
343.44308	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	326.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	15.8
55.05516	49.1
56.05038	27.1
57.03460	4.6
57.07080	7.3
67.05505	99.4
69.03431	5.9
69.07067	44.2
71.04989	7.6
71.08634	49.2
79.05501	65.9
81.03413	5.6
81.07066	100.0
81.07543	4.9
83.04980	20.0
83.08624	49.6
85.06517	7.2
91.05460	39.9
93.07038	90.6
95.04967	22.5
95.08602	73.4
97.06506	17.1
97.10161	32.2
98.97568	5.3
99.08099	32.2
100.11240	6.7
105.07044	34.1
107.08601	60.6
108.08922	4.7
109.06464	8.5
109.10155	47.9
111.08090	8.8
116.98607	7.5
117.07030	6.7
119.08579	23.1
121.10114	36.5
123.08097	4.1
123.11703	15.1
125.09613	23.3
129.07047	5.8
131.08572	6.9
133.10133	36.5
135.11723	30.5
137.09605	16.0
139.11156	45.6
140.14345	20.8
145.10097	8.1
147.11679	24.1
149.13268	19.4
151.11182	17.4
157.10069	5.3
161.13255	17.4
165.12761	6.3
171.10222	4.0
171.11630	6.7
173.11658	7.1
175.11237	5.8
179.14267	4.8
194.15477	8.4
203.12898	4.4
207.13850	4.4
226.18031	68.9
241.19389	5.7
259.20715	16.5
277.21609	82.2
285.10086	6.6
291.23187	28.3
294.21295	17.7
308.25790	16.6
309.24094	22.1
326.23630	5.9
326.26794	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	326.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	12.0
55.05521	19.4
56.02214	2.5
56.03376	1.5
56.05861	2.6
57.03458	1.6
57.07078	16.1
67.05504	39.1
68.05863	11.9
69.07067	52.2
70.07397	16.9
71.04984	2.3
71.08620	21.8
72.08953	3.2
79.05515	9.9
80.05843	7.8
81.07052	42.6
82.07378	20.6
83.04992	8.4
83.07782	2.7
83.08627	26.9
84.05321	3.3
84.08963	9.6
85.06541	4.4
85.10176	2.5
91.05472	2.7
93.07049	16.5
94.07383	12.8
95.08588	35.9
96.08944	19.1
97.06532	12.5
97.10149	17.6
98.06878	2.9
98.10529	8.2
99.08129	4.1
105.07065	2.6
107.08585	13.6
108.08949	3.6
109.10154	20.5
110.10505	8.1
111.08109	2.6
111.11705	2.8
112.08437	2.9
119.08553	2.8
121.10154	12.4
122.10511	11.4
123.11713	8.1
124.12050	4.5
125.09648	3.6
125.13277	2.5
133.10152	4.6
134.10495	2.1
135.11688	9.7
136.12039	10.2
137.12331	2.5
141.09135	2.1
141.12798	2.2
147.11734	2.6
153.12759	9.3
154.09468	2.3
154.13116	7.5
276.20377	3.4
281.27594	2.3
284.99908	2.1
291.26276	3.6
293.21158	4.6
294.21411	100.0
295.65735	2.1
308.22995	17.4
308.26660	15.7
309.26935	75.3
326.24222	3.5
326.25308	3.7
326.29657	73.5
327.28876	9.0
349.72888	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	326.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71994	1.8
55.05505	8.6
56.05863	2.6
57.07084	37.0
58.07414	17.7
60.59471	2.1
66.50105	2.2
67.05505	49.3
68.05853	24.3
69.07069	18.9
70.07409	3.6
71.08635	46.0
72.08968	19.2
79.05496	4.1
80.05811	2.1
81.06609	4.0
81.07061	69.6
82.07393	37.0
83.07745	2.7
83.08611	14.6
84.08938	4.9
85.06573	2.1
91.05486	4.6
92.05790	2.9
93.07066	4.3
94.07381	3.4
95.08613	39.2
96.08931	30.4
97.09263	4.9
97.10158	14.0
98.10520	4.8
99.08083	4.6
105.07050	3.8
106.07402	2.6
107.08575	5.3
108.08921	4.1
109.10149	23.1
110.10481	12.4
111.08118	2.7
121.10194	3.2
122.10517	3.9
123.11684	12.0
124.12072	5.3
133.14328	2.4
134.10461	10.4
141.12767	8.9
142.13104	14.2
168.14693	2.7
183.13832	5.1
184.14050	2.7
231.98634	2.5
291.26053	3.9
293.21176	5.0
294.21472	98.6
308.23019	18.8
308.26324	5.1
309.26929	86.0
326.26361	5.0
326.29712	100.0
335.26483	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	326.3049
Annotation	Oleoylethanolamide
Peak:m/z	Relative Intensity
55.05316	3.1
55.05521	51.3
57.07071	14.3
57.27398	2.7
67.05498	35.9
69.07068	100.0
71.04967	3.7
71.08637	7.7
77.20461	3.4
79.05498	8.5
81.07059	61.6
83.08633	70.8
85.06555	4.0
87.80743	4.0
88.50046	3.2
91.05460	6.5
92.52900	3.5
93.07030	27.7
95.08611	65.1
96.08127	3.1
97.06527	6.0
97.10175	60.4
100.07582	4.2
105.07038	5.4
107.08611	16.3
109.10159	35.8
111.08060	7.9
111.11731	17.8
119.08566	6.8
121.10154	31.2
123.11730	13.5
125.09624	6.2
127.75953	3.4
133.10078	6.1
135.11684	23.9
137.09660	3.2
137.13206	5.6
141.40364	3.1
147.11678	7.0
149.13289	6.8
158.03685	3.3
191.17969	3.9
199.57689	3.9
273.25705	14.4
291.26819	47.1
308.29422	18.8
309.27896	7.7
326.30569	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	326.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	2.9
57.29559	0.6
63.01886	0.5
64.24096	0.5
65.81735	0.6
67.76619	0.6
68.07725	0.5
69.07083	1.2
71.08624	2.8
74.01732	0.6
74.06059	0.7
83.08637	1.0
88.07624	4.8
88.11272	0.7
90.96474	0.6
91.54861	0.6
97.10149	0.8
102.09165	2.7
158.15387	1.1
161.24042	0.7
211.50670	0.6
233.12993	0.7
251.00922	0.7
256.26337	31.9
285.29684	0.7
305.84534	0.7
326.34158	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06486	0.3
60.10493	0.3
65.03956	0.5
65.56228	0.3
70.06590	1.7
76.65991	0.3
84.08127	0.7
91.05490	3.0
99.04460	0.4
116.84651	0.3
119.04938	11.2
129.10220	0.6
147.04414	100.0
156.15425	0.3
164.09352	0.7
165.05484	1.5
179.33287	0.4
206.20064	0.3
252.12456	0.5
274.08780	0.4
327.13535	0.4
327.20004	1.4
334.64554	0.3
338.48151	0.3
347.01440	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	327.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16428	0.2
54.57907	0.2
55.01867	0.2
57.03437	0.3
57.30117	0.2
58.56433	0.2
60.04529	0.3
60.61703	0.2
65.03944	0.6
70.06593	5.9
71.04991	0.3
84.08112	0.3
85.38068	0.2
91.05479	2.5
93.07076	0.3
99.04477	0.6
103.05470	0.6
112.08742	0.5
113.07118	1.0
113.71763	0.2
117.05508	0.5
119.04949	11.1
120.08110	17.2
120.53123	0.2
121.10033	0.2
147.04419	100.0
165.05527	2.1
185.10344	0.6
189.09106	0.3
189.52974	0.3
195.11288	0.5
195.22234	0.2
220.10994	0.3
222.64996	0.3
237.13451	0.5
237.44052	0.3
253.63976	0.5
254.16107	0.4
259.15616	0.4
319.08414	1.2
319.58594	0.4
327.09793	2.5
327.17386	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	327.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53484	0.2
56.05053	0.3
57.03432	0.2
65.03934	0.4
70.06596	2.2
71.06921	0.6
72.08125	0.3
86.09719	0.4
91.05486	2.7
98.98460	0.3
99.04492	0.3
105.94902	0.2
116.07113	0.3
116.28077	0.2
117.05505	0.4
119.04942	11.5
129.09142	0.2
129.10210	0.3
137.06006	3.4
147.04414	100.0
164.04123	0.3
165.05482	1.7
207.47749	0.3
214.12651	1.0
230.28482	0.3
268.49698	0.3
280.48880	0.3
309.18890	0.3
327.09518	1.0
327.16150	0.9
327.20605	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	327.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.9
57.07064	0.5
60.53916	0.3
63.85400	0.4
64.21999	0.4
67.05495	2.1
69.07076	1.0
71.05013	0.6
71.08648	0.5
81.07045	2.0
83.08624	1.1
88.94431	0.5
92.21577	0.5
93.07043	0.8
95.08600	2.5
97.06520	0.5
97.10190	1.0
98.98418	0.7
99.08088	0.5
107.08578	1.8
109.10198	0.9
135.11595	0.5
137.09543	0.4
140.10666	1.0
152.56873	0.5
154.12273	2.3
157.13336	1.1
171.04408	0.6
171.14992	0.7
238.09912	0.5
251.06931	0.5
265.08618	2.6
266.09418	3.2
269.08118	0.5
276.08014	0.6
277.21335	0.7
282.08835	0.5
283.09695	3.5
284.10519	0.7
293.08066	23.2
294.08856	10.3
297.07611	6.7
310.87640	0.5
311.09128	55.7
312.09967	3.0
327.12253	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	2.2
57.03442	4.2
61.39062	0.5
67.05492	4.2
69.03442	0.9
69.07061	4.1
71.04980	3.0
79.05487	3.2
81.03432	0.8
81.07061	6.6
83.04980	1.1
83.08611	1.2
85.06561	1.2
88.43908	0.5
91.05470	3.0
92.20980	0.5
92.98238	0.6
93.07037	4.4
95.04945	1.3
95.08599	3.5
97.06505	4.2
97.10146	1.1
99.08094	4.6
105.07033	2.9
107.04932	1.1
107.08599	4.7
109.06521	3.4
109.10154	2.7
113.98357	0.5
119.08566	3.7
119.57545	0.6
120.25562	0.6
121.06502	0.9
121.10123	3.1
123.08061	3.1
125.09603	3.8
131.08568	3.8
133.06500	1.1
133.10127	1.5
135.08025	1.3
145.10114	0.9
147.07973	0.7
147.11647	1.1
149.09622	3.4
157.10110	0.8
161.09555	1.2
173.13220	1.0
175.11150	0.8
185.13181	0.8
191.14322	0.7
199.14795	0.7
221.15361	4.0
237.14745	0.8
238.21725	0.6
247.17052	0.6
273.18497	6.7
278.18851	0.9
291.19519	13.6
298.16992	0.6
309.17001	1.0
309.20630	10.2
327.17743	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.18
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	12.5
57.03443	3.7
57.07078	4.5
67.05521	27.4
69.07071	26.3
71.04987	3.9
79.05505	17.4
81.07059	89.9
83.04975	3.2
83.08611	12.5
85.06557	3.5
91.05465	18.0
93.07040	19.1
95.08617	34.7
97.06544	9.5
97.10182	3.9
99.04443	2.4
99.08099	4.4
105.07050	29.5
107.08593	18.1
109.06516	12.4
109.10172	14.0
111.08089	3.5
111.11745	2.8
119.08589	32.4
121.10146	29.6
123.08143	3.6
123.11690	34.9
127.07560	2.6
131.08604	2.4
133.10072	7.9
135.11678	3.1
145.66985	2.6
147.11681	67.3
165.12724	21.8
185.16504	3.8
207.13585	2.5
209.19031	5.6
229.14360	3.8
234.99013	4.5
251.61401	3.0
267.15820	20.8
291.19421	4.1
309.27856	8.8
327.18024	100.0
327.22946	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	327.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	4.4
56.05029	1.8
56.44727	1.1
56.60367	1.0
57.03432	1.0
62.51459	1.1
64.04261	1.0
67.05508	4.7
68.05030	28.4
69.07074	1.7
71.08620	2.3
72.04514	12.2
74.06097	2.5
79.05506	2.3
81.07067	4.9
83.04967	1.8
83.08612	5.2
88.04005	2.1
91.05487	1.7
92.92444	1.0
93.07042	6.0
95.08603	8.0
99.08101	2.0
105.07042	2.1
107.08594	4.8
108.08137	5.0
109.06505	1.4
109.08881	1.4
109.10218	2.5
110.06030	12.3
110.09692	4.5
111.04443	1.2
116.07085	25.7
118.05006	24.1
119.08556	5.2
121.10131	5.2
123.08072	2.7
124.11249	1.3
125.09657	1.8
126.09155	2.7
128.07094	5.4
131.08495	1.4
133.10124	2.0
135.11713	1.6
137.97078	1.2
140.10707	5.7
145.10101	1.3
147.08124	1.4
149.09587	2.0
151.11169	1.6
152.14401	4.8
154.08638	2.3
154.12294	4.2
159.11778	1.2
160.06087	1.3
168.13835	28.9
170.08116	1.9
171.11618	1.3
180.13831	2.4
182.15417	11.8
188.46239	1.1
206.15425	7.1
208.16942	11.9
224.16437	5.7
226.14343	19.4
226.18050	5.8
237.16133	1.7
250.01974	1.1
270.16940	2.7
273.18509	4.6
291.19473	17.1
309.20435	4.8
327.19141	100.0
327.23160	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	327.2013
Annotation	CHEBI:59965
Peak:m/z	Relative Intensity
50.59013	0.5
52.47089	0.6
54.23418	0.5
70.06590	4.2
73.06548	0.7
84.08124	0.7
86.09716	0.9
87.04488	2.6
89.06033	100.0
103.39424	0.7
103.98185	0.6
104.59364	0.7
105.07676	0.7
105.76120	0.7
107.07062	1.0
116.07038	1.0
119.04943	2.7
133.07602	1.6
133.08611	42.1
147.04419	14.3
148.04762	1.1
149.04936	1.3
165.08987	1.0
177.11223	12.9
182.04948	9.5
208.02901	9.5
221.13783	1.4
239.14882	2.7
275.60291	0.7
283.17490	2.9
296.10196	0.7
309.19235	0.8
327.14117	63.4
327.20126	38.7
346.91669	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	0.7
50.04048	0.8
55.01881	0.8
55.05515	0.8
56.05042	1.4
57.03439	1.2
58.04084	1.3
60.05654	7.8
62.90323	0.7
63.78102	0.7
67.05509	2.3
68.05010	1.0
68.27826	0.9
69.07082	1.2
72.04514	1.7
74.06080	20.4
80.05021	1.2
81.07079	1.1
83.08642	1.0
88.91553	0.9
92.42188	0.9
93.07046	1.5
95.04974	0.9
95.08590	1.2
96.05579	1.2
101.80977	1.0
107.08598	1.4
109.06538	1.2
109.10167	4.0
110.06035	1.8
110.07121	1.1
116.08212	100.0
118.05013	6.2
119.08611	1.6
121.06514	1.2
123.08054	2.0
137.09616	1.3
149.09668	1.4
151.11143	1.1
152.14369	4.1
153.07706	1.0
154.12280	1.1
155.09241	1.3
158.99539	1.0
160.07170	11.4
166.13417	2.0
169.09123	1.1
174.99048	1.2
177.13850	6.9
179.15422	1.8
180.13806	1.5
182.15379	17.5
191.15366	1.6
194.12961	1.1
206.46774	0.9
207.14929	11.9
208.16977	14.7
209.14012	5.2
209.16487	10.8
222.14886	4.7
224.16403	1.1
235.14531	2.1
236.12746	1.4
253.15475	31.0
263.04285	1.2
267.16879	1.8
268.15399	21.0
283.21301	8.9
285.18140	10.1
290.01581	1.0
291.07944	1.0
291.19400	6.7
295.17657	1.8
309.20132	1.3
327.17444	27.2
327.20313	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	327.2165
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
55.01868	0.7
55.05523	1.3
57.03429	3.9
67.05509	4.1
69.07052	3.3
71.04993	0.8
72.27402	0.6
79.05483	3.4
81.03405	0.7
81.07068	7.9
83.04978	2.4
83.08599	2.8
85.06526	2.3
91.05490	3.1
93.07054	5.3
95.04949	1.3
95.08595	4.4
97.06522	3.4
97.10174	2.3
99.08094	5.4
103.90511	0.6
105.07048	2.3
107.04960	1.2
107.08615	4.2
109.06506	3.0
109.10132	2.5
111.08039	0.6
117.07046	0.7
119.08586	4.3
121.06454	0.7
121.10118	3.0
123.08037	2.7
125.09647	5.5
131.08565	2.5
133.10136	2.5
135.08093	1.3
135.11673	1.1
137.09651	1.0
145.10153	1.2
147.08014	1.0
147.11649	1.2
149.09637	3.8
159.04378	0.6
159.11710	0.7
161.09616	0.8
161.13217	0.7
163.11209	0.9
171.11737	1.1
177.12750	0.7
195.13640	0.6
203.14342	0.8
215.16609	0.7
217.15991	0.8
221.15308	3.4
237.14754	1.0
247.17026	0.8
250.19434	0.7
263.20032	0.9
273.18588	4.9
281.22302	1.4
291.19507	14.6
309.20569	10.9
327.17749	100.0
327.21213	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	327.2164
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
55.01863	2.7
55.05521	26.0
67.02513	1.8
67.05511	18.0
69.03439	9.3
69.07056	8.1
70.25178	2.0
71.04996	2.4
79.05480	14.8
81.03443	2.8
81.07063	25.1
81.99158	1.8
83.05009	6.2
83.08620	25.5
84.40522	1.9
85.06567	2.0
91.05469	4.4
93.07040	28.0
94.05055	2.3
95.04967	17.6
95.08603	33.4
97.06544	3.6
97.10168	62.5
105.07050	9.3
107.08592	16.3
109.10132	8.1
111.04472	2.1
116.01515	2.0
117.07011	2.4
119.08555	14.1
121.10145	11.3
123.08071	100.0
123.11681	9.9
125.09624	50.5
131.08577	2.9
133.10136	9.8
135.08066	9.3
135.11717	2.6
137.09621	15.1
139.11198	5.0
145.10062	4.0
147.08047	8.8
151.11307	3.2
163.11189	9.6
165.09116	4.6
169.12233	13.2
171.10229	3.7
171.11649	2.7
177.12706	2.2
187.13316	12.5
189.11237	30.5
189.41528	2.2
193.12231	2.7
211.13213	2.9
223.13179	2.6
263.20157	2.2
273.18387	26.0
291.19516	77.4
291.29449	2.4
309.20569	55.0
327.21722	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	327.2164
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
53.00737	0.9
54.12710	0.9
55.01862	1.1
55.05514	1.1
56.19092	1.0
58.81856	1.0
66.72451	1.1
67.05504	2.1
69.07063	5.0
78.57351	1.0
81.07073	12.1
81.07468	1.5
91.05482	1.8
93.07046	1.8
95.08607	6.5
105.07084	1.3
107.08576	2.0
109.06518	2.1
109.10126	1.3
111.04420	11.3
121.10122	2.1
123.08083	1.5
125.06037	1.4
130.24382	1.2
133.10097	2.6
135.11665	2.5
137.05978	100.0
137.13246	1.5
147.11667	4.5
149.09637	2.3
151.07559	2.4
161.09616	4.6
161.13260	2.1
163.11169	1.6
175.11198	5.6
179.10669	1.3
189.12958	1.2
203.17880	4.5
213.16304	1.5
231.17471	6.1
249.18602	5.3
277.17972	56.6
295.19034	9.3
309.20529	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	327.2167
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
53.00322	1.2
53.03944	1.5
55.01886	5.5
55.05520	25.9
57.03450	20.0
57.07076	5.5
57.26270	1.1
59.05003	1.3
60.78201	0.9
67.05515	29.0
69.03419	5.7
69.07076	59.9
70.63650	1.1
71.04996	33.7
73.02911	1.5
79.05504	26.9
81.03437	2.9
81.07065	47.0
83.04970	6.4
83.08630	26.5
85.06541	6.8
89.06039	6.8
91.05498	15.0
92.21407	2.2
93.07043	28.7
95.04976	18.9
95.08614	38.6
97.06533	19.8
97.10176	41.9
97.73531	1.4
99.08067	2.3
99.35198	1.2
105.07032	15.9
107.04961	10.6
107.08602	33.4
109.06504	10.5
109.10183	19.1
111.08081	6.5
111.11733	2.3
113.06010	5.2
115.07571	23.8
117.07031	12.8
119.08580	24.5
120.24815	1.2
121.06480	8.1
121.10154	19.4
123.08070	32.1
123.11705	10.1
125.09630	31.2
129.07001	2.5
131.08566	12.6
133.06508	1.8
133.10117	7.7
135.08078	9.9
135.11688	7.6
137.09615	2.5
137.13272	6.1
139.11205	2.3
140.12505	1.3
141.09090	6.3
143.08603	4.9
145.06424	1.2
145.10129	12.0
147.08073	13.1
147.11710	7.2
149.09633	4.9
149.13274	6.1
151.14787	1.4
153.09077	2.9
155.10670	1.9
157.10158	5.0
158.60840	1.4
159.08087	2.1
159.11682	4.9
161.09515	4.3
161.13272	2.8
163.11200	4.5
165.09122	6.2
165.12852	1.4
169.10115	1.5
171.10149	6.0
171.11647	4.3
175.11234	2.1
175.14780	1.8
177.12642	2.0
181.12140	1.5
187.14771	1.3
189.11206	36.9
189.12788	2.2
199.14912	1.9
205.12318	1.7
217.15863	2.5
219.13811	2.0
221.15361	45.8
223.13298	6.7
227.17961	1.6
238.33510	1.3
239.16396	4.6
242.64705	1.2
249.15085	1.4
255.17404	6.3
273.18494	33.4
273.25684	4.3
291.19519	100.0
291.26880	5.5
297.27881	2.1
309.20480	25.8
309.27841	4.9
327.22665	8.7
327.29230	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	327.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	6.0
57.03449	12.7
58.53294	1.4
67.05506	17.8
69.07067	15.8
71.04980	2.5
78.27937	1.8
79.05487	12.2
81.07066	27.0
83.04988	2.1
83.08623	3.2
85.06538	2.0
91.05492	12.3
93.07050	16.2
95.04956	3.5
95.08582	15.9
97.06522	10.9
97.10170	4.0
99.08095	23.4
105.07034	9.2
107.04955	9.2
107.08604	9.6
109.06501	2.6
109.10152	10.8
111.08078	8.7
112.92783	1.9
113.06040	1.6
114.09245	1.6
117.07017	7.1
119.08580	17.5
121.06504	17.1
121.10120	13.8
123.08069	11.2
125.05925	2.5
125.09598	6.8
129.07019	6.1
131.08528	17.3
132.56863	1.9
133.06499	3.0
133.10124	11.2
135.08058	17.6
135.11676	10.0
137.05997	2.7
137.09630	3.9
139.07489	2.2
140.10718	2.8
143.08563	3.2
145.02856	2.8
145.10127	33.5
147.08047	8.8
147.11682	8.4
149.09601	24.3
151.11128	3.8
151.62454	2.0
155.08569	2.1
159.11726	3.2
161.09644	1.9
163.11176	28.5
165.09160	2.5
167.65208	1.7
169.10152	2.1
171.11716	1.8
173.13274	2.7
177.05396	12.7
183.11658	3.0
185.13321	6.2
187.11234	1.9
187.14801	15.3
201.12743	2.7
201.16345	14.8
211.14813	28.7
217.15797	1.6
219.17450	7.4
221.15369	4.1
229.15904	26.3
246.18510	10.6
247.16934	50.6
264.19574	25.9
273.18399	3.4
281.22217	100.0
291.19415	20.1
309.21695	51.4
310.20340	3.3
327.12180	3.6
327.23175	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	327.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45161	0.7
55.05514	3.7
56.05041	6.8
67.05502	4.6
69.07075	7.4
71.80806	0.9
79.05496	1.2
81.07055	6.8
83.08630	8.8
85.06532	1.3
91.05476	2.0
93.07045	4.3
95.05011	1.0
95.08609	7.0
97.10178	4.1
99.08035	0.9
105.07031	0.9
107.08592	4.4
109.06528	1.8
109.10153	12.3
111.08089	4.1
111.11725	1.4
119.08601	2.0
121.10110	1.5
123.08095	3.4
135.02144	0.8
135.11685	0.9
136.11226	1.5
137.06046	1.8
137.09628	4.0
139.07538	1.1
140.10712	14.5
153.13893	1.6
154.12267	100.0
156.10149	1.4
157.13380	8.5
171.14920	41.5
174.11308	1.2
174.33345	0.9
204.06578	3.3
207.08000	1.6
291.20193	4.5
292.18958	1.8
299.12521	0.9
309.21765	13.5
309.27408	1.1
310.20071	1.8
327.12311	3.6
327.22882	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	327.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.3
55.05521	1.7
56.05039	4.8
57.40483	0.3
67.05504	2.0
69.07076	4.7
70.06586	0.4
81.07084	0.3
83.08626	5.8
87.26449	0.3
91.05486	1.7
93.07037	1.5
95.08628	3.0
98.97684	0.3
106.51614	0.3
109.10161	8.4
110.09687	1.2
110.99144	0.3
111.08099	3.0
111.11723	1.4
119.08596	1.7
120.04439	0.3
136.11230	2.0
137.06015	0.5
137.09627	3.5
139.07555	1.8
140.10719	0.6
153.13872	1.6
154.12270	100.0
156.10229	1.6
157.08607	0.6
157.13397	0.7
171.14917	39.8
172.13295	0.6
173.11768	0.5
174.11270	0.4
175.09634	1.1
262.29770	0.3
274.18063	0.3
285.07489	1.9
291.20703	2.5
292.18997	1.4
309.21716	12.5
310.20157	1.7
327.12698	1.9
327.18796	0.5
327.22766	16.8
346.84933	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	327.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.6
55.05513	15.2
55.71069	3.2
57.07083	5.7
65.35576	3.2
67.05517	34.8
67.97294	3.1
69.07072	24.1
79.05496	18.1
81.03410	3.8
81.07058	49.8
83.08623	6.8
91.05473	30.5
93.07042	100.0
95.04969	87.7
95.08610	87.4
97.06544	29.4
105.07030	55.5
107.04961	3.5
107.08606	47.6
109.06516	15.3
109.10180	26.5
117.07020	18.5
119.08588	85.5
121.06522	25.1
121.10133	52.0
123.08086	8.4
123.11694	12.5
125.68246	3.7
131.08582	42.0
133.10139	62.1
135.08080	16.6
135.11665	22.8
142.07822	8.7
143.08546	20.8
144.09320	8.6
145.10115	69.5
147.11719	23.4
149.09622	4.9
149.13266	3.8
156.09322	4.9
157.10107	40.1
159.08009	4.6
159.11702	55.9
161.09622	20.4
161.13219	6.6
166.07893	5.4
167.75978	3.9
169.10054	13.8
170.10941	4.9
171.11647	31.9
173.09535	6.0
173.13258	23.3
175.14828	27.8
183.11697	15.1
185.13287	6.8
187.11198	13.7
187.14848	21.2
195.11601	4.6
197.13290	8.4
199.14799	8.6
209.13312	6.1
211.14781	7.9
215.14349	4.8
225.16339	6.5
235.14812	8.4
296.25858	8.6
309.22104	17.5
327.23056	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	327.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	5.1
55.05513	29.7
56.05854	4.3
57.03439	4.1
57.07077	15.7
62.04636	3.7
65.58737	3.8
66.64165	3.4
67.05505	41.1
69.07074	41.6
71.04984	6.8
72.55748	3.6
79.05501	32.3
81.07057	49.7
82.07422	4.2
83.08618	19.4
85.06564	5.8
88.84256	3.9
91.05482	32.5
93.07049	89.0
95.04964	95.4
95.08614	100.0
97.06528	31.7
97.10184	17.8
98.98435	4.2
105.07043	69.7
107.08604	53.6
109.06514	19.1
109.10164	52.8
111.01476	3.9
111.08109	3.7
115.44449	3.9
117.07008	19.7
119.08584	90.0
120.85320	3.7
121.06497	16.1
121.10141	52.9
123.08058	17.6
123.11714	20.5
125.09709	4.9
131.08566	35.5
133.10133	56.5
135.08058	9.4
135.11688	28.9
137.09633	7.9
142.07820	8.0
143.08580	16.9
144.09293	5.3
145.10135	60.4
147.11691	23.4
151.14801	4.3
152.77150	4.0
153.12674	7.3
153.98116	4.2
155.08536	4.8
157.10149	40.8
159.11650	46.4
159.21858	3.9
161.09604	21.2
161.13266	6.2
163.11137	5.8
169.10126	20.3
171.11717	20.8
173.13278	26.7
175.14839	22.2
183.11745	18.5
185.13272	17.2
187.11195	7.0
187.14821	21.3
189.16299	5.6
197.13258	18.1
199.14835	19.1
201.16180	4.2
201.57050	4.2
209.13251	14.8
211.14861	14.4
237.16435	4.7
279.23224	16.3
292.27130	21.5
296.25827	42.7
309.22104	17.1
309.29721	26.7
327.23199	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	327.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86264	4.5
55.05527	12.9
57.03437	12.9
57.07067	9.8
60.77584	5.7
67.05509	64.9
69.07085	66.7
71.04984	23.4
79.05499	55.1
81.07055	99.1
81.22977	5.3
83.08616	27.1
85.06536	6.2
91.05472	24.1
92.21569	12.0
93.07055	61.4
93.30178	5.1
95.08604	100.0
95.34583	5.0
97.06524	12.1
99.08120	6.4
103.34238	6.1
105.07053	12.8
107.08610	67.8
109.06551	10.5
109.10127	58.3
109.73588	5.8
111.08072	9.5
113.09626	12.8
115.07568	8.8
119.08572	31.3
121.10137	39.9
123.11711	10.6
126.09666	6.3
131.08553	36.2
133.10152	8.9
135.11700	30.7
137.09642	11.5
145.10138	13.3
147.11687	26.6
149.13269	30.0
154.12303	67.4
159.11653	10.4
161.13271	7.1
163.14827	8.9
171.14903	24.1
173.13219	49.7
187.14827	11.8
191.14262	14.8
209.15385	10.5
223.16902	11.1
224.48531	5.9
241.19659	8.3
243.70470	6.1
259.20502	11.3
262.96118	8.3
277.21606	40.5
279.23218	10.3
291.23224	29.3
296.25833	40.0
309.24313	12.7
327.22345	7.5
327.29950	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	327.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57389	1.6
53.00322	2.0
55.01879	16.5
55.05517	28.8
56.75108	1.8
57.03445	2.8
57.07069	9.9
67.05509	78.1
69.03429	2.2
69.07070	46.4
71.04999	5.1
71.08630	12.0
79.05498	39.1
80.05873	1.8
81.03418	8.7
81.06615	3.9
81.07059	75.9
83.04978	12.7
83.08621	32.8
85.06544	4.6
85.10171	3.8
91.05455	18.6
93.07049	53.1
93.62001	2.1
95.04950	11.2
95.08617	53.0
97.06546	17.4
97.10169	35.4
99.08099	7.4
105.07018	15.8
107.08590	36.2
109.06524	9.7
109.10151	73.3
111.08080	13.0
113.09684	8.0
117.07003	4.1
117.18725	1.9
119.08575	26.2
121.10114	27.3
121.40251	2.0
123.08057	16.8
123.11703	11.2
125.09612	28.4
131.08574	8.3
133.10146	17.0
135.08046	4.6
135.11703	21.2
137.09601	22.3
139.11150	15.9
145.10069	3.7
147.11693	18.1
149.13255	14.8
151.07529	2.9
151.11215	15.2
153.12759	8.0
155.10648	7.6
159.11732	7.6
161.13248	9.2
163.11235	2.5
163.14809	2.6
165.12711	4.3
167.14345	2.0
173.11801	21.1
173.13235	3.4
175.11195	2.4
175.14809	2.4
179.14346	4.1
182.10641	2.0
185.13255	8.0
187.13246	7.1
199.14798	2.0
203.12796	9.7
241.19566	3.1
249.22122	8.0
259.20547	8.2
264.60925	2.0
277.21603	100.0
280.97781	2.3
291.23315	2.8
295.22672	53.5
309.20877	5.2
309.24200	54.7
327.23206	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	327.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71051	1.7
55.01875	14.7
55.05519	35.5
57.03432	3.1
57.07085	5.8
63.26831	2.2
63.72795	2.2
67.05179	4.4
67.05509	77.7
69.03419	5.1
69.07072	31.6
71.04985	4.5
71.08632	9.0
79.05490	35.1
81.03434	4.1
81.07062	60.1
81.84989	2.5
83.03642	2.1
83.04986	4.5
83.08633	32.7
85.06564	4.7
91.05476	13.7
93.07049	48.0
95.04964	11.6
95.08595	44.3
96.56795	2.1
97.06527	11.2
97.10162	35.9
98.98459	2.5
99.08111	4.8
105.07045	16.2
107.08591	32.9
109.06545	4.7
109.09433	4.6
109.10155	100.0
111.08082	9.9
111.11633	2.5
113.09655	2.2
117.07021	3.6
119.08620	21.3
121.10114	21.2
123.08062	21.8
123.11684	4.7
125.09638	34.3
131.08583	3.8
133.10115	17.7
135.08051	3.7
135.11708	19.5
137.09621	18.3
137.13303	3.8
139.11186	12.3
143.08514	2.5
147.11681	11.6
149.13304	9.7
151.11177	9.9
153.12767	5.1
155.10643	17.6
157.10144	3.3
159.11655	4.4
161.13264	4.4
163.14799	2.6
165.12730	11.5
171.11584	4.5
173.11752	52.5
173.13188	5.0
175.14822	2.6
178.49879	2.7
181.12074	3.8
185.13194	3.5
187.13362	21.0
193.15721	2.7
196.97981	2.3
203.12764	9.3
241.19342	4.4
249.22063	8.7
271.97662	2.5
277.21609	79.2
291.23102	4.0
295.22699	59.3
309.24225	55.9
327.26242	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	327.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	5.1
57.03442	1.3
57.19494	1.2
58.08246	1.1
63.88691	1.0
67.05511	18.5
69.07066	9.7
70.87460	1.1
71.04989	5.3
76.83082	1.2
79.05495	11.4
81.07067	29.1
83.08620	5.6
85.06533	2.9
91.05473	6.2
92.21512	2.7
93.07054	13.7
95.08614	25.9
97.06521	5.8
97.10163	5.5
105.07034	7.8
107.08609	15.8
109.10153	20.7
111.08093	1.5
114.39347	1.3
117.06941	2.1
119.08585	7.3
121.10146	22.4
123.11711	7.3
124.11237	7.5
125.09630	2.1
131.08557	5.6
133.10149	11.6
135.08075	2.6
135.11694	7.9
137.06009	1.3
137.13263	2.0
138.12799	9.7
139.11205	7.0
139.69814	1.3
145.10132	2.9
147.11681	8.7
149.09625	2.4
149.13254	2.2
151.11176	2.5
152.10693	2.4
153.09099	9.0
154.12180	1.5
156.87852	1.3
159.11723	2.9
161.13298	2.8
163.11180	1.7
166.12221	2.0
167.10628	7.3
170.11781	16.7
173.11755	3.0
173.13164	1.6
184.13329	15.7
187.13403	2.2
190.15971	1.4
196.45937	1.4
222.96227	1.5
229.19534	6.4
246.22243	9.3
247.20554	7.5
256.20590	1.4
257.19083	1.5
264.23178	3.0
265.21548	9.5
274.21686	2.9
275.20059	15.0
280.29044	1.4
292.22693	22.1
293.21109	35.4
310.23773	95.8
327.23282	4.6
327.26440	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	327.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.7
55.05520	9.7
56.05048	2.7
57.07072	2.7
67.05514	31.0
69.07075	20.4
70.14739	2.0
79.05493	11.2
81.07060	41.4
83.04993	3.0
83.08634	24.5
85.06582	1.8
91.05483	8.0
91.19300	1.7
93.07042	15.1
95.08614	56.9
97.06526	9.7
97.10168	10.5
99.08121	3.0
105.07016	2.8
107.08591	24.8
107.38811	2.2
109.06510	2.3
109.10164	38.1
109.22814	1.7
110.09711	3.3
111.08087	10.9
111.11665	2.1
117.07068	1.9
119.08595	4.7
121.06466	2.3
121.10149	19.4
123.11729	12.8
128.10701	2.2
131.08572	4.2
132.98106	2.3
133.10110	13.8
135.11688	40.1
137.05998	14.0
137.09654	8.9
138.09126	7.7
139.07559	19.4
140.10715	2.3
145.10138	10.5
147.11674	15.0
149.04849	1.9
149.09639	2.8
149.13264	12.2
151.11192	4.4
152.14325	3.5
153.12711	10.0
154.12276	81.4
156.10199	9.3
159.11702	9.7
161.13240	2.8
163.11133	3.1
163.14836	2.9
165.12701	2.3
171.14929	29.3
173.13263	9.5
175.14792	2.6
181.12207	10.6
194.95857	2.2
198.14880	9.9
217.06334	2.2
229.19504	9.2
239.17807	2.8
246.22118	17.5
247.20589	14.3
249.09048	2.4
249.22073	3.8
264.23242	9.8
265.21872	2.5
266.24878	8.2
275.20035	29.5
276.25552	2.2
291.20374	2.2
292.19437	2.3
292.22681	9.0
293.21149	14.6
305.08496	3.6
309.11267	2.5
309.21808	10.9
310.23746	100.0
327.12167	11.4
327.22858	24.5
327.26428	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	327.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	9.0
57.03444	1.9
57.07067	8.4
59.28236	1.6
65.10838	2.2
67.05511	19.1
69.07065	36.8
71.04987	2.3
71.52528	1.5
75.21647	1.9
79.05483	9.7
81.07061	100.0
83.04993	1.9
83.08635	16.3
85.06543	68.7
93.07045	33.0
95.08606	75.9
97.06577	2.4
97.10179	11.0
99.08099	28.8
105.07054	7.4
107.08597	36.2
109.10160	43.8
111.08071	31.4
111.11741	4.7
113.09654	2.7
119.08582	3.6
121.10126	39.4
123.11704	28.5
125.09641	4.3
133.10109	3.5
135.11711	15.7
137.13245	19.6
139.11177	3.6
147.11674	2.7
149.13274	31.4
151.14827	2.0
153.12767	2.0
159.13524	1.8
163.14821	12.3
177.16359	14.1
191.17964	2.4
195.17429	10.6
213.18465	19.7
232.67107	2.0
291.26822	14.8
297.27982	2.5
308.47714	2.1
309.27850	27.6
327.28915	36.2
332.63437	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	327.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.8
55.05270	1.9
55.05524	19.1
57.03439	1.8
57.07073	8.3
59.04994	6.8
63.66079	1.3
63.85067	1.5
67.05515	23.6
69.07069	47.9
71.04987	8.6
71.08652	3.2
78.84159	1.6
79.05499	10.5
81.07059	81.9
83.08627	32.7
85.06546	22.1
88.00532	1.4
89.06028	1.9
91.05462	7.4
93.07043	36.7
95.04975	2.0
95.08604	100.0
97.06529	23.0
97.10164	14.9
99.08085	9.0
105.07032	10.9
107.08595	47.3
108.08927	1.7
108.65942	1.7
109.10158	42.5
111.08080	46.5
111.11723	6.2
113.09660	2.2
115.07599	1.5
119.08573	7.6
120.20687	1.4
121.10156	27.6
122.10386	1.4
123.08043	2.3
123.11697	38.2
125.09653	7.7
125.13242	2.8
133.10141	3.7
135.08093	1.8
135.11659	11.9
137.13271	17.7
139.11148	1.8
139.31296	1.5
147.11694	8.8
149.13258	49.0
161.13222	2.0
163.14789	7.2
167.14307	11.9
177.16408	2.5
191.17854	2.1
200.14253	1.6
209.19009	2.1
217.19394	2.0
239.23613	3.0
273.18484	1.9
273.25812	1.9
279.26837	9.3
291.19504	9.7
291.26846	25.2
297.27884	8.1
309.20648	3.0
309.27847	57.6
315.47299	2.0
327.12143	2.2
327.23056	3.5
327.28931	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	327.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61862	1.1
54.22086	1.3
55.05519	13.3
57.07070	6.7
60.90295	1.3
63.46912	1.2
67.05510	18.9
67.15082	1.3
69.06749	2.2
69.07076	38.3
70.22818	1.3
70.34672	1.2
71.04989	1.6
71.08647	1.6
79.05499	9.3
81.07059	100.0
83.08620	17.5
85.06544	57.4
87.80289	1.3
91.05493	3.3
93.07043	27.8
95.08611	72.4
97.06535	3.3
97.10173	11.0
99.08100	31.1
105.07034	6.7
107.08589	41.4
107.09264	2.5
109.10157	42.4
111.08075	19.6
111.11704	7.1
113.09644	3.5
119.08591	10.1
121.10130	35.0
123.11704	29.6
125.09631	6.7
125.13227	1.7
133.10143	7.4
135.11700	17.8
137.13284	13.0
139.11185	3.0
147.11642	2.5
149.13255	32.2
163.14798	13.3
167.14282	2.8
172.03932	2.7
177.16438	12.1
189.16374	1.8
191.17923	2.1
195.17487	8.4
204.06534	2.0
209.18999	1.5
213.18483	22.2
279.26749	3.2
291.19510	3.4
291.26837	12.9
297.27954	6.3
309.27878	26.9
327.23389	13.6
327.28970	38.5
348.75504	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	327.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83154	1.4
55.05518	15.6
56.34575	1.3
56.66869	1.4
57.07076	9.8
59.05008	3.6
59.23388	1.4
67.05506	10.6
69.03449	1.9
69.07073	100.0
69.18226	1.7
71.08638	3.0
79.05514	7.3
81.06618	2.4
81.07069	57.5
81.31094	1.4
83.08622	24.0
85.06537	10.9
91.05470	7.4
92.21282	7.6
93.07047	18.8
95.08610	53.4
97.06536	3.7
97.10171	9.7
99.08092	14.4
105.07038	7.9
107.08612	20.0
109.06509	3.3
109.10167	29.9
111.08064	3.8
111.11713	18.8
118.91950	1.5
119.08579	6.8
121.10144	17.3
123.11698	13.8
133.10152	6.7
135.11702	10.4
137.09572	2.1
137.13266	19.2
139.11183	10.3
147.11707	3.5
149.13271	11.0
151.14801	2.7
161.13258	3.6
163.14810	10.5
168.25269	1.7
175.14760	1.9
191.17914	2.4
273.25812	7.0
279.26825	2.5
291.26721	16.8
297.27914	39.8
309.27887	33.6
327.23175	3.7
327.29047	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	327.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64242	1.3
55.01888	8.0
55.05525	7.1
57.07085	2.5
59.29675	1.4
67.05513	33.5
69.07069	29.9
70.68356	1.6
72.84181	1.4
79.05484	11.1
81.07059	31.8
83.04976	2.3
83.08636	18.1
90.40922	1.5
93.05693	1.4
93.07035	19.3
95.08618	30.2
97.06533	8.3
97.10165	6.9
105.07054	2.8
107.08589	17.0
109.10165	20.3
121.10117	12.4
123.11706	7.1
124.40693	1.7
125.09615	2.6
131.08542	3.0
133.10094	3.4
135.08109	1.7
135.11685	17.5
137.09637	2.9
137.13181	2.0
149.09569	2.4
149.13280	2.8
153.12738	31.9
154.12318	2.1
163.11064	1.8
170.11778	2.6
173.42162	1.7
224.59721	1.6
233.22649	2.6
243.21237	3.4
251.23555	3.3
261.22119	7.2
271.67917	2.9
279.23157	42.0
296.25833	100.0
300.83362	1.9
306.71762	2.5
327.23181	2.8
334.20486	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	327.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73618	2.0
55.05522	28.9
56.05851	5.8
57.06827	3.9
57.07085	94.6
58.07418	19.2
59.87418	2.0
67.05510	37.0
68.05853	5.7
69.07072	86.5
70.07407	15.4
71.08642	35.3
72.08976	9.2
79.05503	4.4
81.07067	57.5
82.07387	23.1
83.08630	57.4
84.08957	19.2
85.10170	21.5
86.10506	4.5
91.05477	4.2
93.06987	4.0
94.07384	2.8
95.08624	55.6
96.08943	27.1
97.06552	3.7
97.10170	56.1
98.06824	2.7
98.10509	22.5
105.07020	4.0
107.08582	5.3
108.08930	5.1
109.10156	28.3
110.10497	12.8
111.08066	5.6
111.11713	16.7
112.12096	5.1
113.09667	9.1
119.08604	5.2
121.10149	17.1
122.10491	5.5
123.11703	15.7
124.12030	4.3
125.09660	3.8
125.13311	3.8
127.11208	10.3
133.10152	10.5
134.10414	2.6
135.11707	9.9
136.11990	3.4
137.13220	3.7
141.12749	5.1
142.13101	2.8
147.11702	9.6
152.11514	3.1
153.45465	2.9
153.79044	2.5
161.13258	4.3
162.13597	3.5
176.15141	4.3
176.57652	2.6
190.16594	3.7
274.26157	5.2
282.28772	4.4
291.26813	3.8
292.27118	26.4
309.29883	10.1
310.28061	13.0
320.72281	2.6
323.72308	2.7
327.31113	100.0
328.29291	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	327.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31965	2.8
55.05518	33.0
56.05837	4.3
57.07087	64.1
58.07430	12.5
59.43124	3.6
67.05508	36.6
68.05815	5.8
69.07066	88.2
70.07393	20.2
71.08636	74.1
72.08948	8.7
79.05503	5.5
80.49174	3.4
81.07059	89.0
82.07403	18.5
83.08621	78.2
84.08938	20.9
85.10175	18.8
93.07048	20.8
95.08595	74.9
96.08363	3.3
96.08929	29.2
97.06570	4.6
97.10162	51.6
98.10519	28.1
99.94366	4.4
100.31958	3.6
105.06998	5.2
107.08588	5.7
108.08911	6.0
109.10155	30.0
110.10529	15.8
111.08060	5.9
111.11710	22.9
111.64936	3.6
112.12056	4.9
119.08558	4.0
120.08968	5.0
121.10114	14.7
122.10465	7.5
123.11704	18.6
124.12077	5.1
133.10130	7.0
134.10414	5.3
135.11656	15.3
137.13235	4.2
138.09959	6.1
138.13594	4.7
146.67886	4.2
147.11667	4.3
148.11971	4.1
161.13255	5.1
162.13564	5.0
165.12616	3.6
187.33719	4.3
194.60777	3.5
217.84280	4.7
228.31906	4.0
249.38725	4.0
274.26022	8.4
282.28622	3.9
289.22141	4.3
292.27203	38.6
309.30008	26.6
310.28256	16.2
327.31128	100.0
328.29288	68.5
328.32828	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	327.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31965	2.8
55.05518	33.0
56.05837	4.3
57.07087	64.1
58.07430	12.5
59.43124	3.6
67.05508	36.6
68.05815	5.8
69.07066	88.2
70.07393	20.2
71.08636	74.1
72.08948	8.7
79.05503	5.5
80.49174	3.4
81.07059	89.0
82.07403	18.5
83.08621	78.2
84.08938	20.9
85.10175	18.8
93.07048	20.8
95.08595	74.9
96.08363	3.3
96.08929	29.2
97.06570	4.6
97.10162	51.6
98.10519	28.1
99.94366	4.4
100.31958	3.6
105.06998	5.2
107.08588	5.7
108.08911	6.0
109.10155	30.0
110.10529	15.8
111.08060	5.9
111.11710	22.9
111.64936	3.6
112.12056	4.9
119.08558	4.0
120.08968	5.0
121.10114	14.7
122.10465	7.5
123.11704	18.6
124.12077	5.1
133.10130	7.0
134.10414	5.3
135.11656	15.3
137.13235	4.2
138.09959	6.1
138.13594	4.7
146.67886	4.2
147.11667	4.3
148.11971	4.1
161.13255	5.1
162.13564	5.0
165.12616	3.6
187.33719	4.3
194.60777	3.5
217.84280	4.7
228.31906	4.0
249.38725	4.0
274.26022	8.4
282.28622	3.9
289.22141	4.3
292.27203	38.6
309.30008	26.6
310.28256	16.2
327.31128	100.0
328.29288	68.5
328.32828	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	328.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06610	13.9
59.70611	0.5
70.06597	17.5
73.25983	0.6
81.47038	0.5
85.02884	1.2
86.09714	3.9
103.05453	0.7
112.08717	0.6
115.08687	1.5
117.26994	0.8
120.05305	0.9
120.08102	33.4
121.08459	4.5
129.06563	0.6
140.08328	0.6
141.87038	0.6
146.09404	0.6
146.87750	0.6
146.95828	0.6
147.04407	4.3
148.04755	7.4
148.07588	3.7
153.88945	0.7
166.08662	3.0
166.12119	0.9
183.14926	3.2
191.11806	1.3
197.10393	1.1
211.14424	1.0
211.29213	0.6
224.07074	2.7
225.07840	2.5
226.08545	2.2
241.07324	0.8
254.08049	2.6
256.09741	2.7
265.08514	2.5
269.06824	10.7
283.09604	2.6
284.09177	82.3
296.05560	4.7
307.65814	0.7
328.08160	100.0
328.15079	18.2
328.22229	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	328.1177
Annotation	Terrestriamide
Peak:m/z	Relative Intensity
58.06609	0.5
59.52491	0.3
65.44267	0.3
70.06590	0.7
74.55550	0.3
85.20816	0.3
96.66614	0.3
122.07143	0.4
140.42375	0.4
154.27132	0.3
157.71182	0.4
212.26451	0.3
223.09903	0.8
239.09410	1.4
239.14259	0.4
240.10187	5.2
254.08141	0.8
258.91776	0.4
268.09674	25.5
269.10464	10.2
284.09271	2.2
284.12772	22.0
300.12451	0.6
308.24875	0.3
309.68137	0.4
312.08624	11.5
313.09375	6.8
328.11783	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	328.139
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05041	0.9
56.06765	0.8
56.55921	0.8
57.62133	0.8
58.40137	0.8
69.03432	5.7
70.06596	1.4
71.04987	1.1
74.16801	0.8
74.29542	0.9
81.03448	1.5
83.12445	1.2
84.08155	1.3
85.02908	8.8
87.03220	4.2
91.05473	8.9
97.02889	12.2
99.04470	1.8
103.05476	3.7
105.07017	1.6
107.04959	1.8
112.03981	5.2
120.08104	42.8
121.06522	1.8
127.03898	9.5
129.07014	1.0
130.06519	4.9
131.04951	3.8
132.08087	33.9
134.09679	1.0
142.68286	1.0
143.05779	8.6
144.08070	5.4
156.08086	2.0
158.09583	1.3
161.06859	8.2
162.09151	6.0
166.08636	15.7
171.08047	3.5
174.09128	4.3
178.08624	6.3
184.11217	1.1
198.09137	10.1
202.08621	2.1
204.10240	1.4
210.09079	1.8
216.10239	1.2
228.10197	1.3
244.09796	6.7
246.11240	12.1
264.12259	34.2
282.13321	2.0
287.31744	1.2
292.11810	31.0
310.12827	100.0
328.13855	10.3
328.17398	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	328.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12267	0.3
70.06589	0.9
86.09708	0.5
164.07048	0.5
177.07800	0.5
189.07841	0.6
191.09468	0.5
270.11304	0.4
280.09674	0.6
282.11218	1.7
283.57788	0.5
295.12109	0.8
296.12802	26.7
298.10736	11.0
298.58319	0.6
299.08456	1.6
306.09348	2.1
312.12253	4.2
313.13071	32.4
320.09100	2.8
320.59384	0.7
325.46866	0.4
328.15408	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	328.1543
Annotation	3-Acetylmorphine
Peak:m/z	Relative Intensity
53.82144	0.6
56.05027	0.7
58.06609	59.9
62.42671	0.6
70.06593	7.8
72.04493	0.6
72.08135	4.6
74.06078	1.8
76.05090	1.0
84.08146	0.8
86.09681	3.0
86.72596	0.6
88.69051	0.6
93.38498	0.7
107.04956	11.6
110.07161	0.9
116.07090	3.4
116.08228	1.4
121.02841	3.8
121.06522	1.6
125.05972	0.7
129.10262	0.7
131.04932	1.6
146.71492	0.8
152.11513	1.2
161.05988	0.9
174.17606	0.7
176.04665	0.9
177.05455	1.8
190.08476	1.2
191.09352	1.4
195.08063	5.2
204.10161	1.8
206.08124	10.3
207.08940	1.4
208.14500	1.2
221.10461	45.8
222.11232	18.3
223.07555	7.4
229.15474	3.8
235.07393	1.0
236.13995	1.5
237.09071	0.8
251.07083	6.3
255.10109	6.3
257.11819	0.8
265.08527	3.0
282.18326	0.8
283.09662	8.5
285.11169	1.1
320.19901	0.7
328.15399	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	328.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39988	0.5
58.06609	31.9
60.45293	0.5
61.45719	0.5
65.46320	0.5
68.92104	0.7
69.07053	0.8
70.06599	5.4
72.08158	9.0
86.09714	17.7
86.14426	0.7
93.39948	0.6
99.26648	0.6
108.44068	0.6
116.07098	17.3
118.06225	0.7
121.03877	0.7
148.07613	1.0
148.11261	2.8
165.07104	0.9
166.12251	2.5
185.16501	7.2
191.08546	1.4
205.06448	1.0
209.09630	1.5
213.16003	5.9
219.07823	0.7
222.06737	0.8
223.07541	3.4
237.09091	5.4
251.07034	14.4
255.10168	4.2
265.08591	100.0
268.07217	2.6
283.09625	15.0
285.11377	0.9
301.14594	0.7
328.15433	85.8
328.18491	3.3
351.71051	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	328.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01401	0.5
58.06315	1.1
58.06607	30.3
59.30359	0.4
69.39362	0.6
70.06614	4.1
72.08157	1.4
86.09689	2.9
88.54577	0.7
92.21537	0.9
107.04978	8.2
116.07076	1.4
121.06541	0.9
132.26407	0.7
139.01959	0.6
148.05197	1.3
152.64520	0.6
162.09135	0.9
176.04680	1.2
177.05508	1.0
178.06345	0.7
190.08641	2.6
191.06920	0.9
195.08109	1.3
203.09271	1.3
206.08119	22.2
207.08882	5.2
211.14339	0.6
215.13911	3.0
221.10464	100.0
222.11250	31.0
223.07553	3.4
242.64789	0.7
251.07097	2.6
265.08536	1.2
268.07281	2.4
283.09677	9.2
285.11203	1.2
289.09952	0.6
306.26492	0.6
328.15408	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	328.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61102	0.3
53.10217	0.3
58.06612	4.0
70.06576	4.2
72.08165	4.5
74.06075	0.5
76.05128	0.8
84.08122	0.6
86.09686	1.6
89.06057	0.5
96.05611	0.5
107.04888	0.6
110.07138	2.4
116.08253	0.5
120.08086	0.4
124.05013	0.4
130.08653	7.6
136.08694	2.4
151.07507	1.6
152.07051	2.5
160.07059	0.6
164.07080	0.5
165.09122	11.1
171.14883	0.8
179.10641	1.8
180.14899	0.5
182.09244	0.5
189.09023	0.5
190.13408	0.9
192.14983	2.8
208.14507	5.8
236.13921	10.6
264.17221	0.6
282.14575	0.6
282.17902	0.5
283.09558	0.7
297.13647	0.8
298.10794	1.9
299.11481	2.3
310.14310	2.1
310.17499	0.7
312.12280	32.6
313.13046	33.9
328.15363	100.0
328.18674	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	328.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86867	0.1
53.87188	0.1
58.06608	1.1
60.05643	0.1
60.37168	0.1
60.64661	0.1
67.77989	0.1
68.51285	0.1
70.06593	7.0
70.06964	0.3
72.08103	0.7
74.06063	0.2
78.77454	0.1
84.08127	0.1
86.09650	0.7
96.05612	1.6
108.25404	0.1
110.07144	0.9
115.87867	0.1
121.14010	0.1
122.42793	0.1
124.05066	2.3
125.05788	0.2
131.08495	0.2
136.08635	0.4
137.09430	0.1
138.06599	0.2
148.08630	0.1
148.11142	0.6
151.11073	0.1
167.83798	0.1
169.13338	1.6
180.14949	2.5
183.14897	0.7
190.13373	3.1
192.14946	5.4
197.12794	1.1
208.14444	11.1
210.09102	0.2
211.14418	0.5
218.12958	1.2
223.07811	0.1
223.09947	0.6
225.07985	0.1
226.15364	0.1
229.15367	0.2
236.13914	15.6
237.09227	0.2
239.09447	0.8
240.10167	6.1
251.09361	0.2
252.10184	0.6
254.08130	1.2
254.14989	1.5
255.09012	0.8
265.08514	1.1
266.08115	0.2
267.08942	0.6
268.09665	26.7
269.10452	9.1
270.07547	0.2
282.08725	0.2
283.09460	0.7
284.09247	3.0
284.12756	22.9
285.10156	0.2
286.10944	0.1
296.09235	0.2
297.11206	0.9
298.06964	0.6
299.07947	0.5
300.12244	0.9
310.17603	2.2
312.08649	12.9
313.09436	6.6
313.12723	0.2
328.11786	100.0
328.18607	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	328.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20412	0.3
55.48328	0.4
56.25838	0.3
58.06609	9.6
60.05660	0.4
70.06582	0.9
72.08150	0.4
96.05618	8.3
97.06380	0.7
98.07162	0.6
107.04948	3.8
109.07779	0.4
110.07180	3.1
120.08071	0.5
121.06532	0.5
124.05063	12.0
125.05875	0.7
131.08554	0.8
134.07166	0.5
136.08685	0.8
138.06628	1.6
148.11212	3.4
151.07494	0.5
168.33015	0.4
171.60661	0.5
180.14948	13.0
189.09132	0.9
190.13391	15.3
192.14957	27.6
194.11749	0.5
208.14453	55.5
218.12917	5.6
236.13933	69.7
254.15022	2.1
283.09866	0.6
283.13342	2.1
284.18069	0.4
300.19174	0.6
310.17532	4.5
328.15552	3.7
328.18713	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21881	0.3
56.05030	0.5
58.06610	54.2
61.99259	0.3
63.24438	0.3
70.06599	4.4
72.08164	1.9
74.06071	0.4
86.09709	0.7
86.40225	0.3
96.05621	4.2
98.07227	0.4
107.04966	20.8
110.07148	2.3
116.07159	0.5
120.08094	0.6
120.91005	0.4
121.06544	3.2
122.07185	0.4
124.05054	4.9
131.08589	0.4
145.06477	4.2
148.11217	0.6
151.07564	2.9
163.07524	0.9
165.09122	0.9
169.13416	1.4
170.09207	0.4
174.06790	0.6
177.09084	1.0
180.14935	4.9
189.09091	6.9
190.13405	5.0
192.14978	13.7
192.16676	0.6
197.12837	0.8
206.11792	0.9
208.12477	0.6
208.14478	25.0
218.12967	1.6
236.13953	30.7
252.11496	2.8
254.14937	0.4
263.91306	0.4
268.10736	2.1
283.13278	9.8
284.12851	0.7
285.14951	1.5
301.42892	0.4
310.17636	2.1
313.00400	0.4
313.09421	0.5
313.13110	0.8
328.11847	3.3
328.18958	100.0
344.68002	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	328.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08793	0.4
55.01876	0.5
55.05522	6.9
57.10282	0.5
67.05506	4.7
69.07072	3.4
71.05017	0.8
72.08160	100.0
79.05493	1.1
81.07056	11.6
83.04994	0.8
83.08622	2.6
85.06540	2.2
91.05492	1.3
93.07038	2.7
95.08604	5.5
96.08934	0.6
97.06544	0.6
97.10185	0.6
99.08119	0.8
105.07027	5.6
107.08634	2.7
109.06532	0.8
109.10162	3.4
111.08133	0.8
116.48366	0.5
117.07084	0.5
118.08651	23.7
119.08562	5.4
121.10161	3.8
123.08084	0.6
123.11720	5.5
124.97170	0.5
125.09632	0.8
127.07573	0.6
133.10123	1.1
135.11581	0.6
145.10110	0.8
147.11687	10.5
155.10689	0.7
165.12744	3.4
172.13358	0.8
223.14819	0.5
229.14299	0.5
236.20171	3.9
264.19574	19.9
275.20178	0.9
282.20639	30.8
292.22702	2.4
293.20993	0.6
306.96948	0.5
310.20132	16.7
310.23538	2.1
310.27774	0.6
328.21063	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	328.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36985	0.3
50.49649	0.3
52.03491	0.3
55.05518	7.1
57.41015	0.3
67.05524	2.2
69.07082	1.5
72.08160	100.0
79.05505	1.5
81.07066	6.2
83.08630	0.5
91.05509	1.7
91.67146	0.4
93.07036	0.9
95.04968	0.4
95.08613	2.3
97.06550	0.8
97.10211	0.4
97.82083	0.4
105.07068	2.3
107.08615	1.8
109.10148	0.6
118.08653	14.5
119.08570	3.2
121.10146	3.4
123.11703	2.4
125.09715	0.4
133.10141	0.6
145.10074	0.5
147.11673	6.6
157.10162	0.8
163.11269	0.4
165.12782	1.0
175.11162	0.8
236.20036	5.1
246.18628	0.6
264.19574	28.5
282.20633	27.7
292.19348	0.6
292.22620	1.7
293.21161	0.6
310.20145	18.2
310.23611	1.2
328.21103	5.0
328.24176	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	328.223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05535	3.5
56.05037	0.6
58.06606	6.9
69.07087	0.7
70.06599	22.8
72.08160	62.2
74.06079	5.2
79.62569	0.4
80.66194	0.4
83.04960	0.5
84.08102	0.5
86.09710	73.7
90.05568	0.8
98.62309	0.5
98.97559	0.5
100.05127	2.4
110.07175	1.7
114.05488	0.5
114.51349	0.5
116.07094	100.0
120.08091	0.5
136.07558	0.7
146.81909	0.4
148.07523	0.6
148.11203	2.3
155.08115	1.5
155.61198	0.4
161.09618	0.8
166.08656	0.9
166.12315	2.5
170.68002	0.4
182.04961	2.3
183.05244	2.5
184.04330	0.9
185.14828	0.7
185.16492	23.5
189.09145	0.6
197.09270	2.2
202.05394	2.0
208.02913	2.3
209.03023	3.5
213.15971	25.2
215.10304	1.1
215.13844	0.5
229.15463	3.6
251.07158	0.7
265.08597	7.3
283.09625	1.8
328.09387	2.3
328.15186	9.5
328.22266	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	328.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99808	0.4
55.05519	0.8
56.05046	0.5
58.06587	0.5
63.05160	0.5
70.06234	1.0
70.06599	23.4
72.08160	57.4
74.06072	0.7
81.00806	0.6
82.80946	0.5
83.74458	0.5
86.09711	69.3
89.06023	3.6
90.06359	0.7
110.07157	1.1
116.07096	100.0
134.08977	0.6
185.14828	1.0
185.16489	29.2
188.57089	0.6
190.08675	0.7
213.15990	29.0
215.13937	0.8
229.15517	2.1
265.08609	2.3
328.15195	3.1
328.22720	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	328.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	17.4
55.05523	23.7
57.03438	4.6
57.07068	5.3
59.80405	2.9
63.41994	3.2
64.25710	2.6
67.05515	71.9
69.07053	33.3
71.04987	5.7
71.08617	3.3
79.05499	17.6
81.03410	4.5
81.07067	63.8
82.07405	4.2
83.04993	7.6
83.08627	17.2
85.06553	14.7
91.05472	38.1
93.07049	38.2
95.04961	15.0
95.08626	51.2
97.06525	5.5
99.04440	3.8
104.42277	2.8
105.07041	43.3
107.04958	7.3
107.08595	54.0
109.06491	7.2
109.10169	92.5
111.08100	6.1
113.05967	3.7
117.07020	3.9
119.08587	21.2
121.06520	5.6
121.10146	17.5
123.04417	3.7
123.08070	11.6
123.11711	14.4
125.09598	4.5
131.08574	7.4
133.10129	100.0
135.11694	16.0
135.74831	4.1
137.09660	18.4
145.10135	6.3
147.11725	5.2
151.11179	71.3
153.12712	3.2
157.66624	3.3
159.11617	4.2
163.11208	5.3
165.09180	3.7
169.12227	29.5
173.13316	4.9
179.10736	5.6
203.43187	3.0
215.12816	20.2
257.18988	4.0
275.20041	66.3
280.23505	4.9
293.21115	80.4
297.26260	22.6
297.49683	3.2
300.29193	3.8
328.28598	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	328.2479
Annotation	10-nitro-9E-octadecenoic acid
Peak:m/z	Relative Intensity
55.01875	5.3
55.05519	41.6
57.03431	6.8
57.15653	2.9
59.05003	4.3
63.11432	3.6
66.00623	3.4
67.05509	100.0
69.03428	5.1
69.07066	29.6
71.04993	7.3
79.05077	5.2
79.05504	99.2
81.03422	12.6
81.07063	76.5
82.05116	3.9
83.04989	6.8
83.08613	27.8
85.06527	3.6
86.30072	3.5
91.05483	55.7
92.21527	4.4
93.07050	85.1
95.04977	26.4
95.08607	63.0
97.06542	6.1
97.10138	25.8
105.07029	43.7
107.08609	62.4
109.06502	5.6
109.10168	91.2
117.06999	13.6
119.08579	45.9
121.10149	38.3
125.09624	14.0
129.06999	4.2
131.08560	22.0
133.10126	30.7
135.08037	5.1
135.11649	4.8
137.09633	39.0
139.11185	6.0
143.08539	5.5
145.10120	15.5
147.11693	20.9
149.09564	4.3
150.10110	3.6
155.10672	5.4
159.11694	6.5
159.65390	3.5
172.13387	4.5
173.11734	32.2
173.13147	7.8
189.11229	8.3
211.13280	7.4
216.83922	3.5
217.15822	3.8
223.13274	3.9
233.09686	6.0
235.16908	5.3
239.17999	3.7
257.19034	5.5
275.20059	61.0
280.50433	3.6
293.21066	16.7
313.19266	3.5
328.25009	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	328.2482
Annotation	10-nitro-9E-octadecenoic acid
Peak:m/z	Relative Intensity
50.87807	2.4
53.18560	2.3
55.01885	3.0
55.05516	23.8
55.35539	2.3
57.03447	6.4
57.07085	3.7
59.05004	3.5
67.05511	94.4
69.07076	29.0
71.04993	6.2
79.05076	3.6
79.05502	50.6
81.03423	5.4
81.07070	53.4
81.65760	2.7
83.04980	3.4
83.08630	19.7
85.06537	5.3
91.05496	29.9
93.07051	56.3
95.04971	17.3
95.08608	48.7
97.06512	5.2
97.10143	12.9
105.07046	29.1
107.04973	2.6
107.08600	33.2
109.06539	5.2
109.10161	100.0
111.08091	4.2
113.05972	3.4
117.07031	11.0
119.08606	27.7
121.10149	32.7
131.08572	24.3
133.10132	32.2
135.11713	4.4
137.09610	21.5
145.10118	16.1
147.11687	19.4
149.09563	4.1
149.13197	4.4
155.10684	22.4
159.11617	4.9
168.18213	3.2
171.11674	4.8
173.11752	80.7
173.13164	5.0
211.13295	3.5
221.09674	4.1
232.90907	3.8
233.09491	10.5
237.37221	2.9
239.17816	3.2
257.18997	5.4
275.20123	39.6
275.76862	3.4
292.22934	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	328.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.2
55.05520	6.8
56.64541	0.7
57.03442	0.8
57.07075	4.3
57.15295	0.7
67.05183	1.2
67.05511	21.6
69.06708	0.8
69.07075	20.6
71.04994	9.7
71.08631	29.5
79.05497	5.4
81.07063	42.4
83.04987	1.3
83.08624	13.2
84.08089	0.9
85.06546	1.3
91.05476	9.0
93.07042	5.7
95.08607	41.2
97.06555	6.2
97.10181	7.0
99.08092	25.8
100.07628	1.8
101.09648	5.0
103.27768	0.7
105.07047	8.6
107.08591	7.6
109.06504	1.1
109.10166	15.9
111.08094	8.2
114.09145	1.4
119.08586	10.1
121.10134	12.9
123.08095	1.0
123.11694	10.9
125.09599	1.1
127.11209	1.6
131.08557	1.7
131.21899	0.8
133.10110	1.2
135.11714	7.0
137.13266	3.7
145.10181	1.3
147.11685	26.9
149.13269	4.2
151.14838	0.8
153.12743	1.3
155.10730	1.0
161.13280	1.9
163.11218	1.1
163.14774	5.9
164.14395	1.2
165.12738	10.2
166.15887	1.1
167.14194	0.9
181.15857	4.5
182.15385	13.6
187.14832	1.4
192.38040	1.0
197.15353	6.6
198.18573	6.9
200.16522	1.3
212.16478	2.0
214.18013	91.8
217.08478	0.9
228.19522	0.9
243.21147	1.7
261.22098	3.4
279.23172	42.1
279.26068	1.7
296.25845	100.0
310.31094	1.8
328.28494	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	328.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	2.5
55.63300	1.6
57.07082	2.3
67.05517	25.2
69.07071	35.0
71.04993	10.2
71.08636	18.4
71.14213	1.7
75.66845	1.5
79.05503	4.4
81.07063	51.2
83.08616	14.1
89.96183	1.6
91.05500	4.0
93.07045	9.9
95.08613	35.7
97.06508	2.8
97.10174	4.2
99.08089	17.7
100.07626	2.9
101.09671	10.7
101.67899	1.9
105.07047	6.7
107.08632	12.5
109.10199	16.7
111.08080	10.5
114.09148	2.9
119.08614	3.7
121.10158	13.6
123.08067	3.6
123.11719	12.0
133.10182	2.9
135.11664	9.2
137.13245	2.4
147.10721	2.0
147.11670	15.7
149.13306	9.7
159.11575	1.9
161.24573	1.7
163.14766	2.8
165.12753	4.2
166.15971	2.9
182.15419	7.3
197.15393	3.4
198.18553	2.5
212.16438	4.3
212.75201	2.1
214.18019	55.6
228.19598	1.8
279.23209	40.7
296.20822	3.0
296.25830	100.0
328.23303	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	328.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54122	1.0
55.01878	2.3
55.05522	13.5
57.03454	1.2
57.07084	10.7
59.45163	1.0
64.46576	1.1
67.05511	27.0
69.07072	13.4
71.04999	13.2
71.08628	2.0
71.81871	1.2
79.05494	6.8
81.07062	36.3
83.04977	1.6
83.08624	28.5
85.06534	4.7
85.10181	29.8
89.18127	1.0
91.05487	12.8
93.07046	12.9
95.08614	28.8
97.06532	7.0
97.10167	5.7
99.08110	1.4
100.07590	2.0
101.31035	1.0
105.07027	7.1
107.08601	15.1
109.10157	27.1
111.08081	2.7
111.11667	1.7
113.09659	26.7
114.09211	1.4
115.11205	4.7
119.08562	1.7
121.10121	8.4
123.11708	12.6
125.09666	9.8
131.08601	2.0
133.10138	33.7
135.08092	1.0
135.11705	9.2
137.13145	1.5
141.12814	1.1
145.10097	1.0
147.11670	4.8
149.09612	2.4
149.13222	13.2
150.12759	1.8
151.11174	14.5
151.14894	1.8
152.14375	2.4
153.12772	2.3
161.13327	1.8
163.11072	1.3
163.35854	1.3
167.14326	6.7
168.13844	13.0
170.15483	1.2
173.13310	1.7
181.15895	1.3
183.13768	4.1
184.17007	9.1
198.14922	4.4
200.16457	88.0
214.18105	2.5
215.16394	2.6
243.20883	1.4
261.22040	1.7
279.20151	1.5
279.23199	47.5
296.25851	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	328.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64170	1.3
51.90802	1.5
52.92828	1.6
54.84689	1.4
55.01875	2.0
55.05540	6.2
57.06827	1.8
57.07084	34.7
59.30534	1.4
67.05515	16.3
69.07072	42.5
71.04649	1.8
71.04997	18.0
71.08636	33.2
77.61447	2.0
79.05484	8.2
81.07060	31.6
82.54322	1.7
83.08627	7.3
92.21595	1.9
93.07052	10.2
95.04910	2.2
95.08607	62.0
97.06519	3.3
97.10150	13.5
98.09666	2.1
105.07034	2.6
107.08613	10.8
109.10148	9.9
111.11717	8.2
121.10110	15.5
123.08087	28.1
123.11695	13.4
124.11247	3.1
125.09647	3.1
133.10167	2.1
135.11713	8.8
139.11205	4.4
140.10696	15.2
141.09079	3.5
141.12746	21.2
153.12737	4.4
155.10699	3.7
156.13808	7.8
169.16043	2.4
170.11674	7.0
172.13326	56.0
183.13773	13.2
187.13394	2.6
261.22131	2.6
279.23160	37.4
296.25845	100.0
333.96735	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	328.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.2
56.05027	4.1
57.07076	1.5
58.07381	0.7
59.26516	0.6
60.04531	13.5
62.37660	0.6
67.05495	4.1
69.07061	3.2
71.08630	1.0
72.04517	1.1
74.06081	100.0
79.05487	1.1
81.07047	4.3
83.08627	1.4
85.10146	0.7
86.06064	0.7
93.07065	0.7
95.08610	3.4
97.10139	0.9
107.08614	1.2
121.09309	0.7
121.10126	1.4
130.08670	1.2
133.10210	0.8
202.25063	0.7
298.27234	0.8
310.27463	1.1
328.25610	1.6
328.28543	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	328.3207
Annotation	N,N-Dimethylsphing-4-enine
Peak:m/z	Relative Intensity
57.07082	14.5
58.04810	1.6
61.88823	1.8
62.06096	100.0
69.07085	1.8
71.08627	9.4
85.10182	7.5
95.08609	7.8
97.10185	2.5
103.32733	1.8
182.71169	1.8
226.88722	1.8
230.24722	16.9
310.30997	3.6
311.29440	8.3
328.32040	65.7
328.35739	17.7
351.06693	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	329.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37418	4.0
55.10825	3.6
84.23872	3.9
92.14843	4.0
95.55278	4.3
103.22663	4.4
107.26306	4.4
116.22637	4.5
162.24342	4.5
173.08218	4.1
243.03725	21.9
297.02280	9.9
329.04910	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.7
73.02902	3.0
75.04485	2.6
84.15726	1.2
85.02904	6.9
91.80016	1.4
97.02831	1.6
103.03945	2.0
117.19244	1.2
120.52383	1.7
129.10356	1.3
130.77052	1.4
139.53105	6.2
148.53520	1.9
174.53313	1.6
195.89363	1.3
204.01744	2.4
213.03548	1.4
215.03125	1.7
234.06265	19.6
243.03784	24.9
244.05734	1.3
277.05862	1.6
286.04257	1.7
295.06955	2.1
297.02249	17.8
312.02200	6.1
329.04874	100.0
329.19116	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	329.0532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86945	2.5
62.21946	2.2
62.50114	2.4
65.24884	2.3
70.06624	3.4
75.06496	2.7
78.05530	2.8
79.42789	2.3
85.02914	2.8
86.09716	4.5
136.07568	3.8
314.47528	2.9
329.05383	44.3
329.11456	4.8
329.15649	100.0
329.19006	8.1
343.42599	2.8
347.28351	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	329.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87151	0.2
52.29675	0.2
54.11801	0.2
54.39662	0.2
55.05532	0.3
56.05042	0.3
57.07066	0.4
58.87334	0.2
69.03427	0.3
70.02956	0.6
70.06593	0.7
72.08113	0.5
84.02067	0.3
84.08127	1.2
85.02900	1.3
86.09715	0.4
87.05566	0.4
88.03962	0.4
94.04179	0.3
97.02922	0.4
101.52080	0.3
105.62411	0.3
107.04990	0.4
109.06494	0.4
116.07128	0.5
119.04977	0.3
122.03655	1.5
131.04472	2.2
133.06114	0.6
136.07544	0.4
137.05981	100.0
149.05573	0.3
151.07545	0.5
163.07562	0.7
167.06842	0.5
181.08635	3.3
199.99879	0.4
210.24971	0.3
220.08192	0.3
225.06352	0.4
243.07338	0.3
269.09180	0.4
285.08478	3.3
285.11829	0.5
288.10034	0.4
329.07529	1.7
329.12265	9.8
329.18295	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	329.1492
Annotation	Tyr Phe
Peak:m/z	Relative Intensity
52.44307	0.1
70.06609	0.8
70.97750	0.2
86.09674	0.2
86.74119	0.2
91.05482	9.1
94.69803	0.2
96.99677	0.2
100.81036	0.2
107.04942	1.0
109.09106	0.2
118.06575	0.2
119.04936	10.3
120.08100	7.7
121.06495	1.3
132.08110	0.3
136.07578	100.0
146.05994	1.2
147.04427	0.3
166.08621	4.1
167.42717	0.2
206.08189	0.8
283.14380	0.5
312.12192	2.0
329.08749	0.3
329.14938	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	329.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24861	0.4
50.27126	0.4
53.03951	0.4
55.01870	0.5
55.05518	0.6
67.05505	2.2
68.05023	0.6
69.03419	0.5
69.07065	2.1
71.04965	0.7
79.05486	2.8
81.07069	7.3
83.08601	1.1
85.06519	0.6
86.09689	0.7
91.05466	1.7
93.07047	2.6
95.04974	2.0
95.08620	3.8
96.08142	1.8
97.06512	0.6
105.07008	4.1
107.08606	3.1
109.06514	1.8
109.10172	1.7
111.08063	0.5
119.08572	3.0
120.08080	2.0
121.06507	0.5
121.10169	6.0
123.08079	0.4
123.11703	2.5
124.07587	62.8
125.08370	2.3
131.08559	1.0
133.10074	0.8
144.04457	2.7
145.10139	0.5
146.05997	6.5
147.11667	5.5
149.09579	1.0
157.10094	1.0
161.09587	2.0
162.05489	3.6
165.12708	2.5
167.10675	3.9
172.03922	47.4
173.13234	0.7
174.05495	3.9
175.11124	0.8
178.08565	1.6
193.12210	0.8
204.06558	100.0
205.07368	0.7
206.08118	14.9
215.14235	0.7
233.15364	2.4
283.15366	0.5
297.12167	0.6
311.14902	3.6
311.23669	0.8
315.13394	4.8
329.14951	12.2
329.21368	4.0
329.24673	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	329.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68307	0.5
55.23840	0.4
57.07081	8.3
61.02932	6.9
68.99784	6.7
87.00824	1.1
92.20995	0.8
98.98483	0.5
103.22279	0.5
111.00797	9.7
112.43211	0.5
128.26346	0.5
129.01836	100.0
139.00264	36.7
157.01321	35.9
161.13292	0.6
185.08080	20.9
213.07562	2.2
217.03398	7.9
259.15414	2.5
273.95978	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	329.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70440	1.8
55.05521	3.8
65.22830	1.9
67.05524	2.9
69.07085	2.2
79.05489	3.9
81.07056	5.1
81.66108	1.9
84.08126	3.7
88.34707	2.1
93.07040	8.3
95.08604	10.0
98.98449	4.7
100.35037	2.1
107.08602	3.5
109.06490	2.4
109.10168	2.9
111.08047	2.4
111.28568	1.9
118.06145	2.7
133.10127	5.4
248.20821	4.1
265.23523	9.0
293.21024	3.8
329.17197	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2085
Annotation	7-OXOCALLITRISIC ACID, METHYL ESTER
Peak:m/z	Relative Intensity
51.32012	0.8
92.76128	1.1
106.02159	1.0
210.46642	1.0
228.65123	1.2
329.20859	100.0
352.88037	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	329.2084
Annotation	7-OXOCALLITRISIC ACID, METHYL ESTER
Peak:m/z	Relative Intensity
56.41958	0.9
58.26617	1.0
115.84827	1.0
141.98741	1.0
150.96881	1.0
158.01202	1.0
174.00661	1.8
288.07556	1.2
309.38000	1.0
329.20868	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38244	1.4
53.49848	1.5
55.01875	2.5
55.05518	8.5
56.04782	1.5
56.05037	13.4
58.04089	2.7
58.06605	2.4
60.05646	3.2
67.05507	10.6
67.56697	1.6
68.05036	8.7
69.04563	2.1
69.07082	3.8
70.06599	2.7
71.05004	7.1
72.04519	23.4
74.02442	4.2
74.06086	13.2
76.05137	63.0
79.05497	8.8
81.07064	4.2
83.04990	2.5
83.08639	3.6
84.04524	1.9
86.06067	11.7
86.09715	7.1
87.04475	2.4
93.07062	13.6
93.63683	1.9
95.08613	7.2
96.04488	9.0
96.05633	13.3
97.06535	2.2
97.10159	8.5
98.06071	22.6
99.05584	2.0
99.08004	6.9
102.05530	12.4
107.08607	7.9
109.10164	10.2
110.07170	2.7
111.08168	2.3
112.07645	3.7
116.08216	29.6
118.05038	3.2
121.10121	3.5
122.07183	6.8
124.60701	1.8
125.09631	10.6
128.08197	1.8
128.10722	4.3
134.72519	2.2
136.08757	1.7
136.11232	2.3
142.08662	2.1
151.03943	1.7
152.40948	1.7
154.08636	2.4
154.12285	2.9
160.07199	7.2
163.14787	2.7
164.14273	2.8
169.12041	1.9
170.11757	2.3
172.13232	2.0
177.09836	2.8
178.13387	4.4
180.14909	6.9
182.12953	2.1
192.13843	9.3
196.14465	83.7
199.22481	1.9
210.14841	30.2
228.16960	8.6
252.17094	3.8
254.13896	3.4
266.21185	2.1
280.16641	3.6
285.19330	2.1
294.20663	11.2
297.15826	5.1
297.19189	41.6
329.11859	1.9
329.18094	67.8
329.21826	100.0
329.24377	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	329.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90970	0.6
55.05516	3.6
56.05057	5.9
58.06646	0.7
60.05639	1.4
61.90744	0.7
67.05518	1.5
68.05019	1.4
69.04543	1.3
69.07056	1.5
70.06618	1.2
71.04987	5.1
72.04514	3.6
74.02437	6.1
74.06089	7.8
76.05128	4.0
79.05495	3.4
80.87625	0.8
81.07056	1.1
83.08615	0.8
86.03541	1.3
86.09708	1.0
89.60098	1.0
93.07025	6.4
95.08593	1.9
96.05624	29.9
97.98925	0.8
98.07193	0.9
98.98450	0.8
99.07967	3.5
102.05553	6.0
102.67664	0.8
108.05610	5.6
109.06358	4.3
110.07156	5.6
110.09657	1.0
112.11241	1.2
116.08238	7.8
118.05010	1.7
120.06601	1.4
121.10202	7.0
121.10928	0.8
122.07140	8.5
128.08218	1.7
128.10721	6.8
135.07634	0.9
136.08708	1.7
138.12807	4.3
150.10298	1.5
153.12683	1.3
154.12251	2.1
154.19402	1.0
164.11852	3.8
169.12085	3.7
174.56056	0.8
178.13416	7.4
178.15739	1.2
179.14188	1.1
180.14963	7.7
180.98273	0.9
182.12900	1.3
193.14607	0.8
195.13594	1.1
196.14465	99.7
212.12769	1.4
228.17128	9.0
252.17093	6.7
280.16629	6.0
284.19571	1.3
297.19217	61.8
329.18347	4.9
329.21802	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	329.2319
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
55.01867	2.7
55.05521	28.3
55.86036	1.2
57.03434	2.6
67.05508	17.4
69.03425	5.1
69.07074	6.6
71.04989	2.3
71.08627	8.5
79.05495	11.0
81.03419	29.9
81.07059	19.6
82.92649	1.4
83.04992	13.3
83.08628	32.0
85.02921	1.3
91.05491	9.5
93.07059	11.3
95.04961	25.0
95.08578	9.9
97.06534	1.8
97.10174	31.9
99.08101	5.7
105.07023	7.9
107.04942	2.7
107.08569	12.0
109.06521	2.1
109.10148	3.4
111.04438	2.5
111.08081	7.2
119.08552	9.7
121.06469	1.5
121.10139	3.3
123.08114	2.0
123.11787	1.5
125.09620	25.3
129.06956	2.4
131.08559	9.2
133.10147	8.5
135.08051	3.0
135.11673	5.0
145.10120	2.6
147.11731	9.7
149.09631	6.0
153.09113	9.3
157.10114	6.5
159.11653	1.6
163.11180	15.6
165.12721	3.1
171.10237	1.5
175.11188	7.8
177.12703	1.8
189.11212	15.6
193.12239	23.3
195.13823	5.8
211.13284	58.9
223.13345	2.1
275.20151	7.8
293.21075	100.0
311.22119	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	329.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90344	2.6
52.20330	2.4
55.05517	5.9
58.19498	2.1
65.05118	2.5
66.87860	3.4
67.05489	21.8
69.03468	3.0
69.07075	6.0
70.06564	2.6
74.93511	3.0
79.05513	23.7
81.07063	29.1
83.08621	13.8
87.08078	2.7
89.79446	2.6
91.05486	3.5
93.07056	24.3
93.82114	3.0
95.04952	15.9
95.08603	17.4
97.06554	6.4
97.10151	22.1
105.07006	3.6
107.04966	3.2
107.08579	30.9
109.06512	25.4
109.10155	10.9
111.08071	6.5
119.08581	5.1
121.10123	45.3
123.08083	27.1
125.09638	21.2
131.08571	11.7
133.10103	6.0
134.78279	2.9
135.08028	11.2
135.11684	5.3
135.50995	3.5
136.07494	2.9
137.05988	14.9
137.09631	14.7
138.12782	6.1
139.07573	10.5
139.11227	23.3
145.10138	3.2
147.08044	6.1
149.09625	11.7
151.07562	4.5
153.09142	6.7
156.13823	6.9
161.09676	3.8
165.09091	4.4
167.10609	4.0
170.11794	18.8
179.10651	3.4
184.13293	34.0
213.16382	6.4
221.19086	13.0
231.17276	3.9
241.15767	3.9
249.18488	5.4
259.16922	25.1
276.19556	53.5
277.17969	100.0
294.20575	55.2
295.19009	16.4
311.23282	86.9
312.21646	17.1
329.13797	6.0
329.24438	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	330.0596
Annotation	cAMP
Peak:m/z	Relative Intensity
69.03438	3.6
69.03735	0.3
70.06589	0.6
85.02943	0.4
87.39014	0.4
94.49315	0.4
97.02906	0.7
98.98464	9.2
131.86424	0.4
136.06187	100.0
164.99463	0.4
196.02673	0.4
202.07372	0.5
217.06656	0.5
330.05966	28.3
336.86426	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	330.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31897	0.3
53.44262	0.3
56.05033	0.8
58.06591	0.5
60.04507	0.4
60.05667	0.4
70.06596	7.5
72.04507	0.6
72.08160	4.2
74.06078	2.0
74.38261	0.4
76.05121	1.4
79.36747	0.3
80.57348	0.3
81.03973	0.3
83.46964	0.4
84.04504	2.1
84.08158	4.8
86.06089	0.8
86.09702	5.7
94.75967	0.3
96.43400	0.3
102.05525	0.4
106.05012	0.4
110.07154	0.6
116.07124	1.4
119.01934	1.5
120.08087	0.4
126.05529	0.5
128.10732	0.5
129.09358	0.6
129.10220	4.2
131.08554	0.6
136.06161	1.7
136.07571	2.1
137.02982	0.4
154.08560	0.6
155.08157	0.5
163.08116	0.4
169.13376	0.8
177.02419	0.5
177.08649	0.5
187.14490	0.6
197.12880	0.6
217.11812	0.6
218.85463	0.4
225.07816	1.4
227.17679	0.5
229.08119	0.4
240.10190	1.6
241.07353	0.8
242.08101	7.3
247.06790	0.5
254.08116	0.5
256.06018	2.2
257.06845	2.0
269.06857	0.5
270.07565	34.8
271.08365	11.7
286.07425	1.0
286.10672	24.2
309.69409	0.7
312.08591	3.1
313.08881	0.7
314.06570	10.8
315.07318	5.3
330.09702	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	330.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03983	0.5
55.01872	1.6
55.05526	0.6
56.05038	2.8
57.30895	0.5
58.06599	1.9
59.05003	0.5
67.04258	0.8
67.05494	0.5
69.03442	0.4
69.07069	0.9
70.06594	47.1
72.04537	0.8
72.08143	2.4
73.02911	3.0
74.00661	2.8
74.06081	11.9
80.20152	0.4
82.06561	0.5
84.04512	2.5
84.08165	2.5
85.02914	2.9
85.27947	0.5
86.09706	23.4
90.05558	13.7
97.02888	1.9
100.02206	100.0
101.07146	17.2
102.05565	0.6
106.01758	0.5
109.02824	0.5
110.06045	1.0
110.07168	0.9
115.03926	0.6
116.07095	71.6
119.04925	1.0
124.11220	0.7
126.05595	1.4
126.09113	0.6
126.12831	0.8
127.03902	0.5
129.10249	2.0
130.05022	0.6
132.10182	1.1
137.05995	1.1
138.05553	0.8
140.07074	0.9
142.12259	8.5
143.11815	5.8
144.06555	2.6
145.04184	0.7
146.02745	4.9
147.04410	3.4
150.06769	4.8
151.07526	2.0
154.03215	6.1
157.04308	9.0
161.98004	0.5
168.06519	2.1
168.10173	0.8
169.13319	1.0
170.02742	2.3
171.05859	2.8
171.11258	2.8
172.04193	1.7
182.02737	4.5
187.14413	61.2
189.06924	1.1
197.12927	0.9
199.05367	34.6
199.10736	3.5
213.06923	31.6
215.13910	25.5
217.06421	62.4
229.15479	1.0
233.14903	2.3
286.08783	0.8
325.15674	0.6
330.11154	65.8
330.20074	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	330.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85779	1.1
52.12897	0.9
55.01880	7.2
57.03446	14.3
58.55763	1.0
59.04985	1.1
61.02930	14.4
67.05497	2.4
67.25016	1.0
69.03438	18.7
69.07080	1.6
71.01341	2.5
71.04986	1.2
71.81387	1.3
73.02921	100.0
74.06084	1.8
74.57690	1.1
78.37647	1.1
81.03411	2.9
81.07062	5.1
83.01366	1.0
83.08604	1.9
85.02911	69.3
87.04459	6.4
91.03944	2.6
93.07049	2.9
95.08607	7.4
97.02893	44.2
99.04473	1.7
103.04000	1.7
107.08603	4.5
109.02876	6.3
109.10154	2.6
115.03933	32.3
121.10168	2.2
127.03915	25.0
133.04971	41.5
133.10080	1.7
135.11636	1.8
145.04958	33.6
150.07596	6.1
161.13258	1.7
163.06013	13.3
186.44994	1.2
198.09727	6.8
217.07062	1.6
223.05981	2.9
241.07030	6.8
241.50719	1.3
259.08078	21.3
277.09232	5.2
277.21533	1.5
294.24216	5.6
295.10254	24.2
312.25284	4.7
330.14334	8.6
330.20547	1.6
330.26529	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	330.17
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85331	0.4
51.12571	0.5
52.26847	0.5
53.28764	0.5
56.05040	1.3
56.31225	0.7
58.06608	59.9
60.04499	0.7
66.52961	0.7
68.37359	0.7
70.06596	13.1
72.08149	3.7
74.06066	3.5
76.05115	1.0
84.04488	1.1
84.08135	3.9
86.09708	11.4
87.04452	1.2
88.07631	4.6
89.07964	1.0
96.05593	0.8
101.07131	1.5
102.05492	0.7
104.10717	2.6
107.04951	20.4
110.07188	3.2
113.07079	0.7
116.07097	13.6
117.06953	0.6
120.08086	1.2
120.49126	0.6
121.06491	3.9
129.10240	2.5
130.08640	4.6
131.04968	0.7
142.12233	0.8
143.73296	0.7
144.10179	3.3
145.06448	2.4
145.10570	1.1
153.05463	1.2
159.04384	3.5
171.11345	1.1
184.07367	2.6
187.14435	12.4
191.06987	2.4
193.08707	0.9
208.09712	2.5
210.11412	0.9
215.13907	4.2
225.09064	1.3
245.55502	0.6
253.08566	6.0
267.09280	0.9
284.09042	0.9
285.11206	8.3
287.12759	1.1
330.16959	100.0
330.24435	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	330.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37251	0.8
50.69337	0.9
55.05525	1.7
56.05042	19.9
57.03452	1.2
67.05509	6.3
69.07068	2.4
74.06083	96.1
79.05504	1.9
81.07063	21.2
83.08630	1.8
84.04490	1.4
86.09697	1.2
91.05482	6.1
93.07037	2.2
95.08622	5.0
95.12630	0.9
96.54901	0.9
97.06544	2.4
102.05549	44.3
105.07041	6.2
107.08624	2.4
109.06522	2.1
110.06029	1.4
119.08574	7.8
120.06582	57.0
121.10162	7.2
123.11684	7.6
127.07555	1.2
130.11032	1.1
141.08942	1.1
146.35228	1.1
147.11699	27.2
147.52567	1.0
157.10114	2.4
165.12730	5.2
173.93156	1.0
175.11240	3.6
193.12190	1.8
206.15430	24.5
220.16983	6.5
233.24382	1.0
238.17981	2.2
245.51489	1.1
248.16425	41.5
252.19572	5.8
266.17490	51.4
276.16275	1.1
284.18579	7.9
284.22177	6.7
294.16974	10.2
312.18045	100.0
330.19073	14.2
330.22806	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	330.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37251	0.8
50.69337	0.9
55.05525	1.7
56.05042	19.9
57.03452	1.2
67.05509	6.3
69.07068	2.4
74.06083	96.1
79.05504	1.9
81.07063	21.2
83.08630	1.8
84.04490	1.4
86.09697	1.2
91.05482	6.1
93.07037	2.2
95.08622	5.0
95.12630	0.9
96.54901	0.9
97.06544	2.4
102.05549	44.3
105.07041	6.2
107.08624	2.4
109.06522	2.1
110.06029	1.4
119.08574	7.8
120.06582	57.0
121.10162	7.2
123.11684	7.6
127.07555	1.2
130.11032	1.1
141.08942	1.1
146.35228	1.1
147.11699	27.2
147.52567	1.0
157.10114	2.4
165.12730	5.2
173.93156	1.0
175.11240	3.6
193.12190	1.8
206.15430	24.5
220.16983	6.5
233.24382	1.0
238.17981	2.2
245.51489	1.1
248.16425	41.5
252.19572	5.8
266.17490	51.4
276.16275	1.1
284.18579	7.9
284.22177	6.7
294.16974	10.2
312.18045	100.0
330.19073	14.2
330.22806	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	330.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04530	5.4
62.57713	0.6
67.05482	0.6
72.15015	0.6
73.41365	0.5
78.50909	0.6
79.95025	0.7
81.07064	1.0
94.04011	0.9
96.04482	0.9
106.33894	0.6
109.06398	0.6
110.07149	5.5
112.05102	0.8
113.05837	0.7
126.06630	14.5
131.10062	0.7
133.10127	0.9
134.09700	0.8
138.06613	2.8
140.04530	3.7
150.06619	4.3
160.11247	1.2
178.12221	2.6
188.10664	1.0
192.14871	1.2
196.13139	0.8
202.13399	8.6
206.11795	1.4
208.14445	1.1
210.14828	0.7
212.11842	3.3
220.14452	18.6
222.12456	1.5
228.15973	1.3
230.12891	19.9
236.13982	6.1
238.15486	17.4
248.13924	39.5
254.14998	15.2
255.15778	3.4
256.15491	1.1
262.15387	2.6
266.14981	51.2
280.16531	11.1
297.58044	0.7
298.17612	100.0
330.11884	1.1
330.20200	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	330.2385
Annotation	Val Val Leu
Peak:m/z	Relative Intensity
50.07808	0.2
55.05523	3.3
56.05035	0.2
58.22074	0.2
72.08162	100.0
77.71677	0.2
81.48106	0.2
85.66723	0.2
86.09717	4.9
132.10211	1.8
171.14925	27.3
185.16519	0.4
199.14424	26.8
207.60091	0.2
213.16002	0.9
231.17039	3.3
269.88187	0.2
330.23798	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	330.2385
Annotation	Val Val Leu
Peak:m/z	Relative Intensity
50.07808	0.2
55.05523	3.3
56.05035	0.2
58.22074	0.2
72.08162	100.0
77.71677	0.2
81.48106	0.2
85.66723	0.2
86.09717	4.9
132.10211	1.8
171.14925	27.3
185.16519	0.4
199.14424	26.8
207.60091	0.2
213.16002	0.9
231.17039	3.3
269.88187	0.2
330.23798	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	330.2636
Annotation	4,8 dimethylnonanoyl carnitine
Peak:m/z	Relative Intensity
51.52149	2.8
55.01878	6.9
55.05515	36.8
57.03435	15.9
57.07084	7.0
57.52426	3.1
67.05179	5.2
67.05513	95.4
67.53350	4.0
69.03435	7.1
69.07066	41.2
70.85004	4.0
71.08630	5.2
79.05504	42.9
81.03416	6.3
81.07063	100.0
83.04989	28.7
83.08641	44.8
85.06528	4.1
91.05486	22.0
93.07047	62.0
95.04967	16.7
95.08612	46.3
97.06519	8.3
97.10152	28.2
99.08073	4.8
105.07041	17.4
107.08596	33.1
107.70405	3.9
108.14832	3.9
109.06547	6.2
109.10161	70.2
111.08086	6.7
111.11749	4.4
119.08620	28.6
121.10127	21.7
123.11703	24.4
125.09670	7.4
133.10143	9.8
135.11688	7.2
137.09618	8.8
137.13232	5.7
139.11232	27.8
142.12218	5.0
147.11699	8.5
149.13274	4.8
155.10648	21.3
161.13261	8.9
172.13324	5.5
173.11720	64.0
175.11171	5.2
175.14835	6.3
179.14426	5.7
189.11342	4.6
211.13316	17.7
221.48575	4.7
237.44041	4.1
244.44260	4.5
259.20541	5.3
277.21655	68.3
295.22705	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	331.0787
Annotation	Penicillin O
Peak:m/z	Relative Intensity
54.04685	1.3
56.05071	1.3
58.51682	1.3
62.94183	1.7
69.07033	1.4
70.06585	7.2
72.08152	9.5
74.06079	2.2
74.22728	1.5
84.08149	40.8
86.09716	18.7
101.10786	2.4
115.08705	1.6
117.73208	1.5
120.08120	14.1
122.55367	1.7
129.10249	45.7
130.08644	3.0
144.10089	1.7
166.08664	8.6
183.14917	3.9
273.09500	1.8
331.07864	100.0
331.13626	8.6
331.23422	23.9
333.03299	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	331.0787
Annotation	Penicillin O
Peak:m/z	Relative Intensity
54.04685	1.3
56.05071	1.3
58.51682	1.3
62.94183	1.7
69.07033	1.4
70.06585	7.2
72.08152	9.5
74.06079	2.2
74.22728	1.5
84.08149	40.8
86.09716	18.7
101.10786	2.4
115.08705	1.6
117.73208	1.5
120.08120	14.1
122.55367	1.7
129.10249	45.7
130.08644	3.0
144.10089	1.7
166.08664	8.6
183.14917	3.9
273.09500	1.8
331.07864	100.0
331.13626	8.6
331.23422	23.9
333.03299	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	331.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
63.26706	0.2
67.05489	0.3
74.14794	0.2
81.07044	0.4
84.43758	0.2
93.06982	0.2
95.08583	0.3
105.06999	0.4
111.20126	0.2
121.02828	0.4
125.02341	0.3
129.49678	0.2
137.06036	0.2
151.03914	1.3
153.05486	0.5
159.11679	0.3
167.02046	0.3
167.03386	7.5
177.05571	0.3
179.03366	0.3
192.39970	0.2
197.04378	0.3
215.07076	0.3
232.07220	0.3
242.05757	0.5
243.06520	1.6
259.05960	0.4
260.06793	1.7
270.05173	0.3
271.05969	2.8
275.09216	0.3
285.07620	0.3
287.05478	2.1
288.06265	6.9
298.04733	0.5
299.05518	4.5
301.03366	0.3
316.05777	32.4
331.08121	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	331.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46896	0.6
60.05639	1.1
69.07049	1.2
70.06597	8.4
72.08155	7.5
74.04042	0.6
74.06062	1.5
78.66340	0.8
81.03384	1.0
82.06551	0.9
82.32024	0.6
84.04494	1.2
84.08139	13.9
85.02887	4.0
86.09316	0.6
86.09707	10.6
87.10035	0.7
87.99585	0.6
97.02866	1.2
98.15698	0.7
101.07087	0.8
102.05533	3.0
103.98792	0.7
104.07069	3.7
107.04928	1.1
111.09172	1.1
112.05050	0.8
112.07638	0.9
112.08686	1.4
112.99994	5.2
113.03432	1.1
114.10307	0.8
114.77341	0.8
115.08684	2.9
116.07072	3.6
121.06517	1.0
126.05481	1.0
127.03857	1.2
127.04937	0.8
128.10710	1.8
129.10226	14.3
129.11067	1.6
130.06503	6.3
132.10132	1.1
133.06140	0.9
137.05943	4.3
138.06319	1.5
139.06488	1.1
139.08655	1.8
141.03053	1.3
144.08069	1.1
146.05995	3.3
147.07645	4.5
147.09213	0.8
151.08676	1.0
153.10202	1.4
155.01846	1.9
157.07599	16.9
158.09235	4.2
159.09201	1.2
167.08145	1.5
169.06210	3.9
169.08472	1.6
169.09734	3.1
173.02942	4.0
175.08624	3.4
175.11859	4.2
180.11253	3.5
181.09698	3.1
182.12823	3.9
183.11174	1.7
185.07013	4.1
187.14375	1.1
188.12811	1.0
202.09737	1.7
226.11789	4.1
234.98946	1.1
250.15567	1.3
256.75885	0.9
259.10345	0.7
268.14713	1.3
287.11002	8.3
296.13846	3.6
313.12787	1.2
313.16388	18.9
314.14899	4.3
331.09888	100.0
331.17606	13.3
331.21127	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	331.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04619	0.4
55.01799	0.4
69.07054	0.9
74.03436	0.4
86.09668	0.6
92.21222	1.1
94.06551	1.0
95.04967	0.5
98.98450	0.7
108.08073	1.0
109.10146	0.9
110.06045	2.1
112.07578	0.4
122.06033	9.9
137.06033	0.5
140.07065	18.0
141.07829	4.3
144.04437	0.7
146.06046	0.6
146.95399	0.5
169.09833	0.5
172.03934	9.5
174.05505	0.7
190.04988	100.0
191.05710	0.5
192.06544	5.0
313.11459	3.1
331.09149	13.2
331.12866	25.3
331.17197	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	331.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04619	0.4
55.01799	0.4
69.07054	0.9
74.03436	0.4
86.09668	0.6
92.21222	1.1
94.06551	1.0
95.04967	0.5
98.98450	0.7
108.08073	1.0
109.10146	0.9
110.06045	2.1
112.07578	0.4
122.06033	9.9
137.06033	0.5
140.07065	18.0
141.07829	4.3
144.04437	0.7
146.06046	0.6
146.95399	0.5
169.09833	0.5
172.03934	9.5
174.05505	0.7
190.04988	100.0
191.05710	0.5
192.06544	5.0
313.11459	3.1
331.09149	13.2
331.12866	25.3
331.17197	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	331.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	4.5
69.03418	2.7
70.06599	0.7
72.49647	0.6
78.83176	0.6
81.03398	0.9
83.08625	7.0
84.08156	1.0
85.02924	0.9
85.77145	0.7
86.09698	3.5
97.02889	3.6
97.39567	0.7
127.03713	6.3
129.09137	0.8
130.24471	0.6
137.05980	0.8
141.79900	0.7
151.07475	1.9
163.11266	0.7
185.04250	2.8
186.09018	0.6
190.04974	0.7
191.51192	0.7
203.05328	3.3
230.22385	0.8
231.80409	0.6
243.11301	1.4
271.10822	1.4
285.12265	0.8
289.08966	16.3
299.38434	0.7
301.14355	4.8
313.12326	0.8
331.13632	100.0
331.17267	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	331.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08183	0.5
80.01208	0.5
83.08615	0.6
86.09698	0.6
91.05505	0.8
94.06552	0.5
101.48266	0.4
107.04971	0.8
110.06052	0.6
122.06026	2.6
125.64109	0.4
127.03689	6.1
129.07178	0.4
129.76823	0.5
137.05984	3.1
140.07071	5.2
141.07863	0.5
149.06044	0.4
151.07576	2.4
161.05986	3.1
161.09641	0.6
163.07570	1.9
169.08450	0.6
185.04309	1.1
189.09125	1.9
190.04991	13.5
195.07965	0.6
203.05272	1.9
207.10146	2.9
227.10669	0.7
244.09761	0.5
253.12297	0.5
271.10852	0.6
285.11365	0.5
287.12781	0.6
289.08975	13.5
289.11932	1.8
291.96988	0.5
307.12830	0.6
331.13574	100.0
331.17282	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	331.15
Annotation	2'-deoxy-5-(4,5-dihydroxypentyl)uridine
Peak:m/z	Relative Intensity
52.37186	1.1
56.05046	100.0
58.06599	1.3
60.04520	2.1
60.05644	1.2
67.83126	1.2
68.26936	1.2
69.07056	2.4
70.06602	9.2
72.04520	52.9
72.08169	1.5
74.06082	8.3
76.05117	3.2
79.05482	1.9
81.07066	11.7
84.04464	1.3
84.08136	6.6
86.09701	9.7
91.05474	2.0
93.07021	3.1
96.05615	2.2
102.05543	6.7
109.06525	23.7
111.05535	2.3
114.05518	8.4
114.06655	1.5
116.07107	2.2
116.08216	6.9
117.06609	21.6
118.05052	10.8
119.04980	1.7
120.06576	2.8
124.11215	2.3
126.09145	11.4
127.07551	2.0
129.10229	9.1
130.08681	1.7
131.08147	6.2
135.07658	8.6
136.07579	11.5
137.05984	84.0
137.09630	1.8
144.06473	1.8
154.08623	43.3
160.07274	2.8
161.09264	1.3
172.09679	11.1
174.09328	1.5
177.08679	59.1
187.14386	1.8
188.14668	1.4
192.10193	1.6
194.13055	1.4
210.11293	13.5
220.09810	5.2
225.12370	2.5
230.15057	1.9
238.10641	2.9
249.93742	1.5
253.11845	16.0
256.11816	20.0
271.12766	6.5
285.14294	1.8
295.12930	10.7
313.13919	42.2
313.18658	3.0
331.14951	25.5
331.19675	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	331.1726
Annotation	PGDM-d4
Peak:m/z	Relative Intensity
51.72302	0.4
54.53041	0.4
72.08134	0.9
79.05486	0.6
79.84988	0.5
82.06629	0.5
86.09711	1.3
86.92712	0.5
97.02901	1.0
109.10133	0.7
137.38046	0.5
140.07047	0.5
140.08133	0.7
160.98392	0.5
169.12224	4.4
190.04964	3.1
211.73813	0.5
217.42813	0.5
294.62460	0.5
331.13589	8.5
331.17227	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04070	0.6
53.52873	0.7
60.51159	0.6
122.06022	3.9
127.03689	3.8
140.07048	8.5
141.07840	0.8
163.21130	0.8
172.03934	1.1
179.44820	0.7
190.05006	20.2
192.06593	1.5
203.05220	1.2
237.54535	0.9
289.08893	8.8
289.11880	3.3
290.51871	0.9
307.12927	1.1
331.13507	72.1
331.17267	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	2.4
56.04786	0.8
56.05046	17.6
58.06603	0.5
67.22209	0.6
67.64248	0.6
68.05050	1.1
69.03381	0.5
71.05001	1.1
72.04520	1.2
73.72118	0.5
74.02436	1.5
74.06079	14.5
79.05499	1.5
81.07073	1.0
83.08614	1.2
84.04522	0.7
96.05592	1.0
97.10175	3.3
98.06057	36.5
102.05549	34.5
102.06059	0.7
107.08585	1.1
114.05604	0.6
114.12824	2.8
116.07088	3.0
116.08232	0.7
118.05038	0.7
120.06563	6.0
124.11256	4.5
126.05482	0.7
137.05986	0.9
144.06567	100.0
151.07596	1.3
152.10709	1.5
170.11746	1.5
188.12862	3.4
198.16023	31.7
226.14500	0.8
282.18158	6.4
285.18152	3.1
289.17419	0.8
293.87012	0.7
299.17554	0.7
299.20792	18.4
309.89771	0.7
313.17661	3.2
331.18628	6.0
331.20490	3.5
331.23434	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	331.1876
Annotation	Carnosic acid
Peak:m/z	Relative Intensity
55.05503	0.5
55.37233	0.6
60.57484	0.6
67.05493	0.7
69.07088	0.7
71.04980	0.8
79.05511	1.1
81.07071	0.8
81.54948	0.7
86.38371	0.5
93.07006	0.7
95.08633	1.4
99.10735	0.6
112.93717	0.6
125.09643	0.7
131.08565	1.0
139.11191	1.0
145.10135	2.7
159.11708	2.5
178.25743	0.6
184.81844	0.5
221.60089	0.6
238.22112	0.7
281.05353	0.7
331.18793	100.0
331.22369	5.1
331.26898	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	331.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68383	1.0
57.07084	1.1
67.05495	2.5
69.07062	1.9
73.42262	0.9
75.28542	0.9
79.05473	1.9
79.26022	0.9
81.07047	6.3
83.08597	1.2
83.15934	1.1
85.06561	1.3
91.05451	1.0
93.07020	2.5
95.08598	6.4
96.08946	1.6
97.06504	1.1
107.08585	2.6
108.18487	1.0
109.10162	1.3
113.09646	1.3
119.08601	2.2
136.40109	1.1
139.11206	1.5
145.10120	4.7
159.11737	4.1
178.32762	1.0
183.13786	1.0
186.14891	2.5
187.15143	1.6
211.01830	1.0
280.14142	1.3
284.79422	1.1
295.22623	6.6
303.33109	1.4
322.02066	1.1
331.18768	100.0
331.22351	4.6
331.26846	4.8
349.39063	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	331.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59167	0.7
54.36277	0.7
55.05557	0.7
57.07086	1.0
60.02110	0.8
67.05499	1.3
70.75134	0.9
71.05003	1.0
71.16971	0.8
81.07069	1.1
83.04971	0.9
84.08172	0.9
85.06533	0.9
92.21499	1.9
95.08605	1.7
107.61322	0.9
109.10139	1.4
110.10461	1.1
111.30217	1.0
117.66029	1.0
119.08549	1.0
123.08125	1.2
145.10155	1.4
161.13335	0.9
164.59465	0.9
172.13393	1.9
173.11725	1.3
173.13730	1.4
174.11972	1.3
203.14410	4.4
319.19696	1.1
331.18796	100.0
331.22159	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	331.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32176	0.6
76.52426	1.0
96.94719	0.8
97.10133	0.9
106.98369	0.8
126.91454	0.8
135.90181	0.9
218.96909	0.8
225.38484	0.8
226.11197	5.6
244.12219	4.0
260.21442	1.0
331.18805	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	331.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
60.91706	1.0
64.80772	0.9
65.91973	1.0
66.41700	1.0
85.96409	1.0
92.71676	1.0
109.68325	0.9
133.71683	1.1
247.74786	1.1
255.02660	1.0
268.12833	1.2
331.18808	100.0
331.22253	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	331.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05272	0.8
57.43040	0.6
61.57885	0.6
65.59302	0.6
65.72076	0.6
67.05556	0.8
69.45068	0.6
73.86554	0.6
76.63268	0.7
90.68390	0.6
244.83484	0.8
246.89252	0.8
253.11870	0.7
311.77203	0.8
331.18787	100.0
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	21-hydroxypregnenolone
Peak:m/z	Relative Intensity
50.16129	0.7
55.68213	0.8
116.25832	0.8
136.90697	0.8
219.15308	0.9
222.30287	1.0
331.22412	100.0
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	Unknow
Peak:m/z	Relative Intensity
74.50714	0.7
98.45638	0.7
104.73229	0.8
125.22426	0.7
190.46510	0.7
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	21-hydroxypregnenolone
Peak:m/z	Relative Intensity
65.14146	0.9
79.18565	1.1
79.78908	1.0
89.48782	1.0
119.08615	1.3
133.80203	1.2
196.17307	1.2
196.19200	1.2
331.22455	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2242
Annotation	21-hydroxypregnenolone
Peak:m/z	Relative Intensity
50.45533	0.8
52.79612	0.8
53.20456	0.9
59.50413	0.8
89.60114	0.9
105.36507	1.0
106.53465	0.9
114.13735	1.0
151.83376	1.1
201.22978	1.0
331.22452	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81361	0.8
56.05031	1.9
60.05659	14.1
64.77905	0.8
69.07063	11.5
70.06583	9.9
72.04510	1.3
72.08160	21.3
74.06072	2.1
76.05114	4.0
84.04521	1.2
84.08144	14.3
86.09710	10.3
86.77885	1.0
97.07667	3.1
112.08730	5.1
114.09146	8.9
114.10294	20.8
116.08238	8.3
120.08074	1.5
128.11835	19.8
129.10214	6.0
130.08490	1.1
131.11919	0.9
131.12920	5.3
138.10268	0.9
140.14359	1.9
144.10188	14.3
150.09059	1.6
168.10210	5.1
169.04849	1.0
173.13991	4.9
173.47853	0.9
180.14937	3.7
182.16489	4.4
186.09578	1.6
186.11214	33.7
199.19154	15.5
201.08711	1.5
204.12292	14.0
227.14981	1.9
241.20203	7.3
242.14948	1.4
295.21243	4.4
313.18573	1.3
331.19760	8.5
331.23343	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	4.2
56.13930	0.7
60.04509	0.8
69.04556	12.2
71.05001	7.6
74.02438	2.0
74.06086	7.1
81.07069	3.9
90.53099	0.8
96.05614	18.6
99.07965	1.1
102.05544	3.5
106.68813	0.8
110.07156	1.9
112.11233	1.1
113.09487	2.0
114.12794	1.2
116.07118	7.0
116.08207	10.6
118.04976	0.9
118.06169	1.3
119.95341	0.8
120.06535	1.4
128.08217	4.3
130.12271	12.4
138.12747	1.4
140.14339	1.9
142.09721	2.6
155.14297	0.9
162.08644	0.9
180.14980	4.7
182.16566	3.9
184.14476	1.3
198.16034	60.8
214.14444	4.3
230.18655	8.8
254.18584	2.0
282.18201	5.2
286.21130	1.1
299.20758	31.5
306.87213	0.9
325.63052	0.9
331.23438	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.2
56.05040	7.3
58.06585	2.9
60.04519	1.3
60.05637	0.7
64.18136	0.5
67.05501	1.0
69.07068	0.7
71.04971	1.2
72.04501	4.4
74.02423	4.2
74.06084	8.6
76.05128	7.5
81.07035	3.8
83.06100	23.3
83.08592	1.1
84.04527	0.9
84.08144	0.8
85.06537	3.2
88.19194	0.7
95.08613	1.1
96.05604	1.0
96.08108	1.0
98.09672	3.3
100.11239	3.7
100.15589	0.6
102.05542	7.0
104.24447	0.7
106.68829	0.6
108.08141	0.8
110.07171	14.9
112.07548	0.8
112.08711	1.1
113.09573	1.1
114.09169	5.1
115.08828	0.7
116.08204	5.1
116.10719	7.6
118.05014	3.3
120.06512	1.3
121.63148	0.6
123.11731	0.9
124.08707	1.1
125.09837	0.7
125.10743	9.1
126.10240	0.9
127.11134	0.7
137.05972	3.0
139.11115	1.3
140.14348	1.0
142.09756	4.1
145.98819	0.7
146.06067	0.8
151.07526	3.0
152.11838	1.3
155.14340	1.0
156.11299	2.8
156.13837	0.8
158.08093	2.7
159.09149	2.8
160.07188	3.4
175.10730	1.1
177.09642	0.7
180.14908	2.6
182.16525	7.3
184.14442	3.5
198.16010	88.7
200.12820	4.2
210.14815	0.7
217.15407	3.8
230.18683	6.7
240.09665	0.7
254.18530	3.9
260.78552	0.7
286.21265	0.9
299.17450	1.2
299.20724	40.5
331.19754	10.1
331.23334	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	331.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96377	0.5
56.05046	7.0
58.04091	0.6
58.06584	0.6
67.05502	0.7
68.26025	0.6
68.64291	0.7
69.04559	21.3
69.07080	0.7
71.05001	7.7
72.04501	3.3
74.02448	5.1
74.06084	8.7
81.07059	2.9
90.02424	0.6
96.05006	1.2
96.05611	27.8
96.08188	0.7
99.07967	1.0
102.05536	5.8
102.06603	0.6
110.07166	1.3
112.28122	0.6
114.12830	1.4
116.08209	9.4
118.05017	1.3
118.06094	0.7
120.06573	1.6
123.11720	0.9
128.08167	5.7
130.12274	17.6
135.07663	1.4
139.11017	0.9
140.14326	6.4
142.09773	3.4
151.07639	0.7
155.14322	1.1
160.07155	1.0
180.14940	9.2
182.16524	3.9
184.14572	1.0
198.16017	88.7
208.31136	0.7
212.17572	0.8
214.14380	3.0
230.18626	5.9
231.16913	0.7
231.32225	0.7
254.18608	1.7
255.21748	0.9
282.18045	7.5
294.06882	0.8
299.17941	1.2
299.20752	60.6
331.23386	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42788	0.5
52.92141	0.5
55.05521	0.6
56.05042	7.1
57.07069	0.5
58.04085	0.7
58.06588	0.5
60.04522	0.7
62.17667	0.5
67.05479	0.6
69.04557	14.1
69.07056	1.1
71.04993	5.6
72.04508	3.4
74.02448	5.6
74.05714	0.7
74.06077	8.7
76.05118	0.6
81.07057	3.4
83.06100	9.8
84.04484	0.7
85.06538	3.0
86.03556	0.7
96.05612	25.2
98.09669	0.9
99.07993	1.2
100.11254	0.8
102.05548	6.5
110.07153	5.3
112.05033	0.5
112.08761	0.9
112.11235	0.7
114.12784	2.9
116.08205	8.8
116.10725	3.6
118.04986	1.4
118.06129	0.8
120.06569	3.2
123.11707	0.6
128.08191	4.0
130.12270	13.5
135.07631	0.7
137.75719	0.6
138.12839	0.8
140.14343	4.2
142.09773	3.6
155.14314	2.6
156.11342	0.7
156.13884	1.0
160.07158	0.9
180.14954	6.4
182.16512	4.5
184.14532	1.7
198.16013	97.3
200.12863	2.3
214.14291	1.8
217.15489	1.0
230.18668	8.3
254.18587	3.1
255.21715	0.6
282.18170	5.8
286.21075	1.0
299.20758	72.5
331.23361	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.8
56.05046	6.6
57.07084	0.9
60.04506	0.6
60.05658	0.8
67.05499	1.1
69.04559	9.4
69.07059	1.4
71.04990	4.7
71.29479	0.9
72.04510	3.2
74.02426	5.3
74.06091	6.2
74.09304	0.7
76.05135	6.9
76.92506	0.7
81.07063	1.6
96.05620	18.9
99.08000	1.2
102.05542	4.2
110.07124	0.9
113.09521	1.1
116.08224	7.0
118.05008	4.8
118.06129	1.0
120.06590	4.0
128.08188	4.4
130.12296	7.3
140.11754	0.8
140.14336	1.6
142.09682	1.3
144.13757	1.2
144.43658	0.8
152.11845	0.9
160.07172	3.1
177.09825	1.1
180.14984	4.3
182.16557	3.9
184.14458	1.5
198.16003	43.6
205.17856	0.8
212.17583	8.9
214.14485	1.3
230.18658	13.2
239.15775	1.0
249.14345	4.2
254.18578	1.8
267.15222	1.8
282.18201	4.5
285.74057	0.9
286.21362	1.0
299.17859	4.5
299.20828	26.3
313.22479	7.9
331.20374	5.2
331.23441	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76742	0.4
56.05040	4.2
56.95057	0.4
61.04051	1.1
69.69711	0.5
70.06598	0.8
72.08160	1.2
72.52099	0.5
84.04518	2.2
84.08147	100.0
85.02887	0.6
85.06499	0.9
86.09711	20.3
98.06043	0.8
101.10780	6.8
102.05527	0.7
112.07532	0.7
129.10239	76.1
130.04994	4.8
144.06529	0.8
146.36700	0.8
147.07651	4.7
152.14398	1.1
155.11786	0.6
157.13387	2.4
166.33670	0.6
175.83559	0.5
197.16490	9.0
200.14061	0.8
203.13927	2.5
212.06778	0.9
214.19128	0.9
218.14922	0.6
224.17622	1.4
229.09331	0.9
242.18654	5.4
260.84433	0.6
310.89719	0.6
314.20767	1.2
331.23395	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	331.284
Annotation	1-Monopalmitin
Peak:m/z	Relative Intensity
54.98687	1.5
55.05513	8.0
57.03436	10.8
57.07083	92.4
67.05511	21.6
69.07078	13.6
71.08631	74.4
75.04504	3.0
81.07064	28.6
83.08621	21.2
85.10184	37.8
95.08606	44.9
97.10184	14.5
109.10151	23.2
111.06615	1.8
111.11734	2.1
120.58803	1.6
123.11692	8.6
154.65500	1.4
211.59169	1.5
224.37271	1.9
239.23683	51.7
257.24780	7.4
313.27341	100.0
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	1-Monopalmitin
Peak:m/z	Relative Intensity
51.18813	1.5
55.05515	8.8
57.03447	2.9
57.07086	97.0
63.22770	1.9
67.05512	24.2
69.07079	14.3
71.08223	2.5
71.08637	74.0
75.04506	1.8
77.95269	1.8
81.07067	29.6
83.08631	30.7
85.10185	41.7
88.43190	1.8
90.76684	1.8
95.08616	52.6
95.09230	3.3
97.10181	11.5
109.10160	27.0
111.11768	2.0
123.11717	11.0
137.13284	2.3
141.21442	1.9
166.83826	1.9
239.23674	45.0
257.24796	4.2
307.00842	2.1
313.27371	100.0
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	1-Monopalmitin
Peak:m/z	Relative Intensity
50.04316	1.2
50.43626	1.2
55.05521	7.4
55.78954	1.5
57.03444	9.2
57.07084	100.0
66.71470	1.8
67.05513	18.8
69.07088	16.0
70.99250	1.5
71.08636	85.7
72.93780	1.9
77.31021	1.5
81.07066	32.5
83.08625	32.0
83.67558	1.6
85.09715	2.9
85.10187	49.2
86.73438	1.5
89.06019	2.6
92.21421	1.8
93.07059	1.6
95.08611	60.0
97.10168	16.2
104.99354	1.7
109.10164	22.7
111.11707	2.8
123.11713	10.7
137.13245	3.0
140.58566	1.8
150.45425	1.6
151.14783	2.3
155.52446	1.8
177.76013	2.0
191.11073	1.5
230.10530	2.0
239.23689	51.1
257.24835	7.0
313.27368	98.0
325.88168	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	331.284
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62302	2.2
54.97469	2.2
55.05512	9.9
56.42740	2.5
57.03439	5.4
57.07083	100.0
67.05506	22.7
69.07084	21.3
71.08639	68.1
75.04485	2.5
81.07060	30.8
83.08636	23.0
85.10184	44.9
87.36690	2.3
95.08605	47.8
97.10171	15.1
109.10172	25.5
123.11723	10.7
130.13335	2.5
135.11678	2.6
144.06541	4.8
154.12250	4.7
190.52824	2.6
221.22896	3.4
228.52478	3.0
239.23689	44.0
257.24747	4.8
313.27393	94.1
331.18600	12.5
331.22482	8.1
331.30347	2.7
354.21722	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	332.134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.1
56.05046	0.5
57.87588	0.4
59.13040	0.4
60.79761	0.4
61.02923	2.2
69.03435	3.4
69.07061	2.9
70.06594	0.8
72.08158	41.6
73.02934	0.6
81.03428	0.6
84.04504	5.1
84.08140	2.0
85.02905	19.5
86.06081	2.2
86.09708	100.0
90.05547	5.5
91.03946	1.2
97.02888	5.9
99.04433	0.8
102.05542	5.1
107.04974	6.2
109.02869	2.1
120.06583	2.4
127.03928	5.3
129.10225	1.0
130.04950	1.0
130.10551	0.6
132.95837	1.1
141.06577	0.7
144.06728	0.6
145.04967	6.8
146.97495	1.6
153.05486	2.8
156.06519	0.7
157.13335	0.6
162.07687	0.7
163.06001	2.2
170.08159	3.0
180.08682	4.9
185.16496	26.0
192.97968	0.7
197.12849	3.5
201.08717	2.8
201.12425	0.8
202.96452	2.2
204.66409	0.5
213.15970	28.1
215.13914	3.8
219.06517	2.1
219.09862	0.8
219.13449	2.9
225.12468	1.0
243.13330	5.1
243.45892	0.6
245.15025	0.7
262.98508	0.9
275.31210	0.5
314.17279	0.9
314.20856	3.1
332.13474	7.2
332.18222	2.9
332.21954	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	332.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.3
57.03436	1.7
58.06600	7.0
61.02930	8.7
61.73138	1.5
67.26859	1.9
69.03426	9.7
70.06598	2.6
70.54105	1.9
71.52808	1.4
72.08130	1.7
73.02919	3.1
81.03428	7.5
84.04502	6.8
85.02908	100.0
86.09709	79.0
87.04459	2.1
91.03944	8.0
97.02888	30.2
99.04443	2.1
102.05544	30.0
104.07083	2.0
105.07002	3.2
107.04949	41.9
109.02851	7.5
127.03917	24.7
132.10185	4.3
133.06471	4.4
135.08073	23.6
137.06009	2.4
145.04956	28.5
153.09093	8.2
155.08131	11.0
161.05960	9.2
163.06032	4.1
167.07025	31.6
173.05957	6.7
173.09198	16.2
180.08698	14.9
183.08119	1.8
193.08661	7.0
197.12854	3.6
199.18063	10.1
201.08704	21.3
211.09604	3.2
219.10165	24.9
227.17523	10.4
243.10289	3.8
243.13377	2.4
261.11179	16.2
279.12460	3.0
312.55276	1.7
314.10309	2.8
316.88818	2.0
332.11191	2.1
332.17377	2.6
342.77441	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	332.2178
Annotation	Leu-Leu-Ser
Peak:m/z	Relative Intensity
55.05522	0.8
55.70277	0.5
56.05031	0.6
58.83787	0.4
59.13234	0.4
69.07065	1.0
69.27586	0.4
70.06618	0.5
71.07628	0.4
71.27878	0.5
71.75057	0.4
72.04527	0.7
72.08156	48.5
74.06078	1.1
83.06108	0.6
84.04508	4.8
86.09708	100.0
90.05551	5.3
96.04488	0.6
102.05543	3.2
120.06578	2.7
129.10251	0.8
130.05006	2.4
132.10213	5.5
135.87968	0.5
137.07120	0.5
138.05544	2.2
138.47768	0.5
154.09740	0.8
155.08186	3.5
156.06573	5.3
157.13383	0.6
173.09172	2.0
185.12982	0.6
185.16486	22.3
197.12868	2.0
198.99066	0.4
199.18086	2.2
201.08708	1.2
201.12396	0.9
203.13945	2.8
213.13921	1.1
213.15968	28.0
215.13942	0.9
219.13373	1.2
222.76578	0.5
227.17558	2.1
233.14944	0.5
243.13452	2.9
268.69247	0.5
286.17514	0.6
314.17209	2.8
314.20770	5.8
324.15292	0.5
332.12973	0.4
332.14420	0.6
332.18137	6.6
332.21747	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	332.218
Annotation	Leu-Leu-Ser
Peak:m/z	Relative Intensity
51.21394	0.4
51.79087	0.4
55.05508	2.0
56.05035	0.7
57.03436	0.5
61.02929	2.0
69.03434	3.7
69.07083	3.3
70.55087	0.3
71.05034	0.5
72.08159	38.8
73.02911	0.7
74.06091	1.0
81.03430	0.8
84.04518	3.5
84.08141	1.1
85.02430	0.9
85.02910	17.9
86.06095	1.0
86.09709	100.0
87.04482	0.6
90.05565	5.4
90.10341	0.4
91.03975	0.6
97.02887	4.6
99.04444	0.7
100.07602	0.4
102.05542	3.2
107.04971	4.9
109.02883	1.0
117.03958	0.5
120.06581	3.0
127.03902	3.8
129.06635	0.7
129.10268	0.9
130.04959	0.6
132.95822	0.5
144.06644	0.5
145.04953	7.0
146.97485	1.7
153.05505	2.3
154.35704	0.5
155.08162	0.6
163.06013	1.0
170.08138	1.8
170.11803	0.6
180.08656	4.5
185.16496	23.6
197.12868	2.6
201.08733	3.0
201.12421	0.9
202.96446	1.1
213.15979	27.7
214.02190	0.6
215.13928	4.6
219.06540	1.0
219.13382	1.7
225.12306	1.0
243.13432	5.4
262.98602	1.8
279.08514	0.7
297.09842	0.6
307.23972	0.5
314.17126	1.7
314.20822	3.1
332.13422	6.0
332.18265	1.9
332.21893	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	332.2179
Annotation	Leu-Leu-Ser
Peak:m/z	Relative Intensity
54.77744	0.3
55.01876	0.5
56.05044	1.5
57.03448	0.6
58.06600	2.3
61.02931	2.2
69.03436	4.2
69.07069	2.7
70.06599	0.9
71.04991	0.5
72.04536	0.4
72.08158	3.5
73.02922	0.8
74.06082	0.5
81.03429	1.8
84.04515	3.6
84.08145	0.9
85.02911	31.4
86.09711	100.0
87.04475	0.8
87.83191	0.4
90.05592	0.6
91.03963	2.0
97.02893	6.3
99.04481	0.8
102.04858	0.6
102.05546	16.6
104.07117	1.7
105.07043	0.8
107.04966	12.9
109.02873	1.8
115.05498	0.5
116.07124	0.6
121.02901	0.4
127.03919	7.4
127.08705	0.7
128.07118	0.6
132.10184	3.7
133.06494	2.5
135.08072	5.5
137.05994	1.8
139.03877	0.6
141.10248	0.4
141.26334	0.4
145.04968	9.2
146.02704	0.7
153.09128	1.6
155.08156	5.3
156.06618	0.6
160.04254	1.5
161.06026	3.0
163.06026	1.9
165.03740	0.5
167.07033	17.9
169.08621	1.6
170.08884	0.9
173.05966	2.0
173.09230	9.6
180.08669	4.3
183.11378	0.7
187.10744	0.7
193.03169	0.8
193.08623	4.2
197.12846	2.7
199.18074	13.4
199.19797	0.7
201.08736	12.9
201.12373	2.3
211.09737	1.9
217.10103	0.5
219.10172	8.4
219.13397	3.4
225.05777	0.7
227.17534	20.4
243.10196	2.3
243.13412	1.9
253.11940	0.4
261.11255	4.2
261.13876	0.5
279.12366	0.7
314.10632	3.9
314.17151	1.4
314.20822	1.7
332.11206	2.0
332.17636	2.3
332.21582	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	332.2176
Annotation	Ser Ile Leu
Peak:m/z	Relative Intensity
56.69613	0.4
60.04528	14.7
68.99785	0.3
69.07060	2.7
70.74245	0.4
72.08158	1.5
83.08610	0.4
86.09711	78.6
87.05598	11.6
95.04977	0.6
101.07147	0.9
105.06616	3.5
121.10081	0.4
126.06668	0.4
128.10724	14.1
128.11684	0.5
130.06522	2.5
132.10210	4.8
146.57056	0.4
148.11235	1.7
155.11780	0.5
159.09215	2.6
170.06004	0.4
173.12857	100.0
180.07692	0.6
184.07518	0.4
185.07162	0.8
188.07060	0.6
192.10240	0.5
194.11778	19.3
201.12341	41.8
211.13303	0.8
212.97623	0.3
219.13405	0.8
227.08174	0.9
245.09198	1.6
245.18556	0.7
273.08569	0.5
291.09784	0.8
300.81012	0.4
314.21106	0.8
332.22012	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	332.2175
Annotation	Leu-Leu-Ser
Peak:m/z	Relative Intensity
52.85973	0.8
55.05530	1.1
56.05037	6.6
58.06604	2.2
58.19590	0.9
60.05653	9.4
69.88067	0.8
72.08157	41.9
72.88925	0.9
74.06083	23.9
76.05115	2.2
84.04504	5.2
86.03562	1.5
86.09706	15.7
87.04475	2.2
91.44321	1.0
95.08633	1.5
96.05667	1.1
98.06066	1.6
101.07144	30.3
102.05537	2.2
110.07168	1.8
110.09705	2.0
111.05560	4.6
111.07998	1.3
112.07602	1.4
112.11267	1.4
114.06628	2.0
120.06589	1.0
124.05126	3.5
128.10706	15.9
129.10226	9.0
130.40138	1.0
132.10220	2.2
135.94402	1.1
137.08228	6.7
138.08578	1.1
142.12323	2.0
143.11768	2.1
155.11830	1.6
155.65880	1.1
162.07610	2.0
166.13417	1.2
167.09358	4.7
167.13687	2.0
168.09653	5.8
170.11789	1.9
173.12848	100.0
177.09793	1.1
184.14520	2.1
185.14749	4.2
194.12932	1.4
195.13197	1.5
201.12326	49.2
204.11450	1.5
212.13914	1.8
213.09930	6.9
213.14394	4.3
214.10156	9.7
215.14011	3.7
222.12337	7.5
231.15187	1.6
246.15028	1.4
288.18100	2.0
314.17120	6.5
314.20279	1.3
332.20090	50.1
341.53766	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	332.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	5.5
55.16839	0.7
56.05037	3.9
58.06608	1.8
60.04539	6.4
63.47440	0.7
64.28500	0.8
69.07063	1.3
69.56875	0.8
70.06593	2.0
72.08158	100.0
74.06081	58.4
74.06503	1.9
78.31187	0.7
78.63928	0.8
82.57904	0.8
84.04485	1.8
84.08168	1.2
86.06072	3.6
86.09706	27.9
87.04462	3.1
87.82178	0.8
98.06042	6.0
101.07111	1.0
111.09202	1.4
112.03903	0.8
112.07614	1.0
114.05547	1.0
120.08099	1.2
121.10178	1.2
126.05479	1.2
128.09865	1.1
128.10712	25.5
129.10234	1.3
132.10210	19.8
138.09142	4.7
143.70203	0.8
146.85846	0.8
149.09599	3.8
155.11836	1.5
156.10277	1.0
156.43109	0.9
169.13364	1.9
173.12848	31.4
183.11276	5.0
184.13181	1.0
185.26035	0.8
187.14420	13.4
197.12930	2.8
201.12335	57.8
205.64061	0.9
215.13968	7.1
219.13487	6.6
224.16393	0.9
233.14970	28.0
234.14722	1.2
243.13557	1.0
252.15840	2.0
279.66837	1.0
288.18057	5.2
296.19760	1.1
309.91223	0.9
314.20264	8.8
332.13617	1.3
332.21918	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	332.2178
Annotation	Ser Ile Leu
Peak:m/z	Relative Intensity
56.77797	0.3
56.96585	0.4
60.04531	14.0
62.43273	0.2
70.02934	0.6
70.06618	0.3
86.09711	81.9
87.05596	17.4
87.06136	0.3
112.11262	0.4
115.41301	0.3
122.74221	0.3
128.10715	6.9
132.10196	5.3
137.47861	0.3
143.11836	0.3
155.11787	0.3
155.30557	0.3
156.10271	0.3
173.12859	100.0
177.02225	3.7
195.03276	2.7
201.12341	44.6
223.02792	0.4
234.39212	0.3
241.03702	0.5
245.18694	1.9
274.95178	0.3
309.02817	1.5
314.20697	0.4
332.21851	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	332.218
Annotation	Thr Val Leu
Peak:m/z	Relative Intensity
55.05519	0.7
56.04862	0.3
56.05042	4.2
58.06593	2.4
58.22500	0.3
59.25848	0.3
60.86704	0.3
65.93646	0.3
70.01152	0.4
70.06564	1.4
70.37739	0.4
72.08158	38.3
73.04025	0.4
74.06081	18.7
81.07047	0.4
84.04527	4.2
84.08122	0.5
86.06059	0.5
86.09705	9.7
92.20860	0.4
98.06022	0.8
101.07146	24.5
110.09707	1.8
112.07591	1.7
112.11246	0.9
119.81175	0.4
120.08133	0.9
128.10713	16.7
129.10240	9.7
132.10229	3.8
135.43452	0.4
138.09192	0.5
141.81982	0.4
152.10687	0.6
155.11798	2.4
170.11731	1.7
173.12848	100.0
187.14468	0.9
191.05199	0.5
201.12343	50.1
215.13892	1.6
219.13414	0.6
229.37346	0.4
231.17052	2.0
243.91408	0.4
255.11357	0.6
288.18002	0.9
314.20355	0.8
332.17828	0.5
332.21820	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	332.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13889	0.3
60.04532	15.9
63.75635	0.4
69.07071	3.0
70.02952	0.5
72.08160	1.8
72.39538	0.4
84.08140	0.5
85.02856	0.5
86.09711	83.5
87.05592	13.3
105.06625	4.5
117.38818	0.4
119.05648	0.3
119.80261	0.4
120.08172	0.4
121.44122	0.4
124.53983	0.3
128.10721	15.4
132.10207	5.5
138.09116	0.4
155.11752	0.6
159.09163	0.7
173.12854	100.0
194.11761	1.7
196.83351	0.4
201.12343	44.4
219.13351	0.8
245.09242	0.5
245.18565	0.6
251.87759	0.5
281.86038	0.4
332.21509	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	332.218
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04530	15.9
63.64219	0.4
69.07067	3.3
70.20883	0.3
71.58965	0.4
72.08134	1.0
73.08489	0.6
73.76026	0.3
76.31983	0.4
83.08605	0.5
86.06078	0.8
86.09708	81.2
87.04478	0.6
87.05093	0.9
87.05592	14.1
92.47707	0.5
104.07121	0.5
105.06639	4.0
128.10722	15.1
132.10207	6.2
138.35104	0.4
143.11742	0.4
173.12851	100.0
201.12337	39.0
207.97342	0.6
210.14859	0.5
213.41002	0.5
245.18562	0.5
314.19635	3.5
332.17981	0.5
332.21448	3.7
334.66226	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2195
Annotation	Leu-Leu-Ser
Peak:m/z	Relative Intensity
55.05515	3.0
57.07077	0.8
60.04523	0.9
67.05517	5.2
68.36929	0.6
69.07066	2.7
71.04967	1.1
79.05482	1.3
81.07062	8.8
83.04981	11.1
83.08636	2.6
85.02911	3.4
85.06532	0.8
92.20952	1.2
93.07038	2.6
95.08610	10.2
97.06499	0.7
97.10167	0.8
99.07999	0.6
107.08588	3.1
109.10170	5.5
111.04449	1.5
121.10155	1.4
123.11708	1.5
126.05569	0.8
129.05492	2.8
133.10124	0.7
135.11676	1.4
137.13214	0.6
138.05499	6.1
144.06581	0.6
147.11717	1.1
149.13301	0.9
159.11711	0.8
186.07541	0.6
204.08673	0.8
214.18007	0.7
261.21988	1.1
278.24799	2.5
279.23248	5.9
296.25836	7.1
314.26834	3.6
332.21964	100.0
332.28036	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	332.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
61.81240	1.0
63.88343	1.0
143.10666	10.2
174.46388	1.3
203.97279	1.2
234.84364	1.2
243.99582	1.3
271.52649	1.2
281.17734	1.5
318.69269	1.7
332.22018	100.0
332.28131	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	332.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18390	1.4
53.52197	1.5
55.05516	16.3
56.65984	1.4
57.07089	17.6
58.33174	1.7
60.04529	2.4
67.05508	41.2
67.46596	1.6
69.07072	23.5
71.04989	3.2
71.08630	9.6
75.36317	1.8
77.43342	1.8
79.05507	8.8
81.07063	72.3
83.08632	29.7
85.06552	19.5
91.05472	7.9
93.07048	18.5
95.08613	100.0
97.06562	14.5
97.10181	15.6
99.08089	8.8
104.11744	1.7
105.07025	6.6
107.08604	17.7
109.10158	48.0
111.08089	7.3
111.11713	2.2
113.09658	3.2
114.44313	1.7
119.08562	11.8
121.10144	21.0
123.11720	19.2
125.09653	2.6
131.08594	3.9
133.10133	9.1
135.11671	14.9
137.13252	8.0
145.10107	2.3
147.11687	7.6
149.13258	10.8
161.13269	18.1
163.14769	8.0
165.39525	2.0
167.14267	2.1
173.13300	7.0
173.97798	1.8
175.14827	2.7
179.14288	7.9
181.15854	1.7
193.15854	2.6
198.18556	11.6
209.15396	7.0
211.16908	3.2
214.18015	21.1
228.19640	14.3
243.21071	3.2
244.19090	2.6
261.22076	10.8
278.24908	10.6
279.23184	75.1
279.26083	3.9
296.25821	74.1
314.26843	19.4
315.99133	2.3
332.21906	20.3
332.27979	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	332.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.5
55.05513	16.6
57.07080	6.3
60.04534	4.9
67.05515	64.2
69.07076	34.3
71.04995	4.0
71.08632	25.8
79.05493	15.9
79.08785	2.2
81.07063	100.0
83.08617	30.7
85.06554	19.9
85.10194	10.7
86.84638	2.2
91.05505	6.1
93.07053	26.9
95.08613	96.8
97.06542	15.5
97.10155	5.8
99.08089	16.3
105.07015	6.0
106.68074	2.5
107.08584	19.9
109.10175	42.5
111.08085	12.8
113.09645	10.4
119.08574	14.9
121.10119	20.7
123.11678	19.4
131.08578	5.4
133.10123	12.9
135.11696	24.2
137.13252	14.2
145.10114	4.1
147.11667	21.4
149.13280	16.5
151.14864	4.7
153.12724	4.3
159.11696	4.9
161.13252	11.6
163.14792	4.5
165.12711	8.9
179.14320	5.7
183.13806	3.6
184.16992	5.1
192.88258	2.6
195.13795	3.1
200.16484	40.8
214.18045	25.6
215.16376	3.8
224.90053	2.4
230.17532	10.4
243.21149	6.4
261.22107	12.5
278.24698	20.0
279.23199	79.0
296.25845	90.9
314.26910	13.4
332.21951	51.9
332.27753	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	332.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86268	1.7
55.01897	2.3
55.05511	11.6
57.03442	3.9
57.07082	23.2
61.22519	2.2
62.37949	2.1
67.05510	54.3
68.81685	2.2
69.07078	26.6
71.04984	5.3
71.08631	13.7
72.38543	1.9
79.05492	9.3
79.59431	2.5
81.07063	85.8
83.04971	11.6
83.08630	28.2
85.06544	21.7
85.10175	3.2
91.05466	4.2
93.07065	17.1
95.08610	100.0
97.06531	12.1
97.10170	14.8
99.08073	13.2
105.07038	5.1
107.08626	19.7
109.10161	44.6
111.08099	10.4
119.08591	15.7
121.10155	25.9
123.11703	14.5
125.09541	3.1
131.08571	3.4
133.10150	15.1
135.11650	17.4
137.13268	4.8
139.11206	3.0
145.10175	3.0
147.11678	5.0
149.13286	11.0
161.13246	15.4
163.14801	2.9
173.13269	4.5
175.14850	3.3
177.16318	3.9
178.28725	2.4
179.14357	4.4
183.17447	3.3
186.14955	4.1
187.14735	3.3
198.18480	4.7
200.16487	3.8
212.16243	2.5
214.18001	17.6
228.19527	12.4
261.22119	13.7
278.24823	15.6
279.23181	85.6
296.25842	96.1
314.26785	11.8
332.21964	17.9
332.27802	22.2
349.98709	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	332.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35825	1.3
55.01881	3.2
55.05511	13.3
57.03448	3.0
57.07090	13.4
67.05180	3.2
67.05511	59.5
69.07075	29.8
71.04995	7.3
71.08630	23.8
73.25508	1.6
79.05505	18.1
81.07062	89.0
82.21154	1.7
83.04966	4.0
83.08624	24.9
85.02924	2.0
85.06548	15.2
85.10176	15.1
91.05473	11.6
93.07056	24.0
95.08608	100.0
97.06520	10.2
97.10126	12.5
99.08086	19.9
105.07037	4.3
107.08599	20.4
109.10152	38.4
111.08084	9.6
113.09646	9.4
119.08576	11.8
121.10152	24.3
123.08107	2.7
123.11706	17.9
125.09618	7.5
127.11125	2.4
131.08549	2.3
133.10147	13.1
135.11697	24.3
137.09622	2.6
137.13246	10.1
145.10045	2.0
147.11697	22.3
149.13225	15.5
151.14784	1.8
153.12726	7.6
159.11740	3.0
161.13307	9.7
161.74837	1.7
163.14821	6.6
165.12735	6.7
167.14272	7.6
173.13342	1.9
177.12669	2.2
179.14314	1.7
183.13841	3.6
183.17439	2.8
184.16957	10.3
200.16492	27.0
201.14864	3.1
209.60658	1.8
212.16402	2.2
214.18025	13.5
215.16423	2.3
223.17059	1.8
230.17528	7.2
243.20959	3.2
261.22018	13.8
278.24725	15.1
279.23184	76.6
280.74149	1.6
296.25851	93.7
314.26871	14.7
332.21964	27.6
332.27908	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	332.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58574	2.1
51.89763	2.1
55.01882	2.9
55.05522	10.4
56.54837	2.4
57.03440	5.5
57.06861	2.3
57.07090	36.5
67.05509	77.6
69.07072	35.8
71.04979	9.7
71.08627	20.7
79.05486	19.5
81.06612	4.6
81.07063	86.3
83.04994	5.8
83.08609	16.0
85.06542	17.4
85.10182	18.0
91.05466	11.9
93.07047	37.3
93.94115	2.6
95.08604	76.8
97.06536	11.0
97.10165	12.7
102.19647	2.8
105.07027	9.9
107.08613	25.3
109.10163	45.0
111.08096	11.6
111.11768	2.5
113.09627	11.5
116.15816	2.4
117.06950	3.2
117.99928	2.4
119.08581	10.3
121.10132	25.7
123.08081	2.7
123.11694	16.6
125.09623	3.8
127.11198	11.6
131.08521	3.7
133.10136	16.2
135.11670	31.7
137.09654	2.9
137.13252	10.5
139.11217	5.2
147.11682	12.3
147.92120	2.7
149.13260	16.0
151.11166	3.7
153.12727	5.7
153.55154	2.5
155.10748	3.4
159.11693	3.3
161.13283	3.3
163.14845	2.5
165.12743	4.4
167.14252	4.8
169.12238	4.5
170.15385	3.5
172.13332	10.5
173.11729	11.3
173.13196	4.0
177.16335	4.5
179.14325	2.3
186.14885	20.1
187.13281	12.9
200.16490	17.1
214.18080	9.9
233.22607	2.9
243.21089	11.8
261.22055	16.8
278.24771	14.3
279.23184	100.0
279.26089	5.1
284.09494	2.5
296.25827	83.4
314.26981	11.4
332.21677	6.2
332.27985	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	332.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	0.4
67.05501	0.6
68.55859	0.3
69.07070	0.3
81.07060	1.4
87.04471	100.0
88.07661	0.7
93.07068	0.4
95.08624	0.8
104.07095	0.8
109.10088	0.4
119.98007	0.4
120.08106	5.1
129.38287	0.4
166.08640	2.3
219.58734	0.3
242.24809	0.5
269.50558	0.4
276.15924	1.7
284.25879	2.4
297.58508	0.3
299.21628	0.4
332.19165	0.7
332.27963	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	332.279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99910	2.1
51.20242	1.8
55.01882	4.9
55.05516	14.9
56.36855	2.2
57.07082	58.0
67.05510	67.2
69.07061	29.9
71.04990	11.2
71.08621	21.8
73.39549	2.8
79.05499	22.7
81.06618	4.2
81.07063	80.0
81.97984	2.5
83.04987	5.8
83.08617	13.8
85.06558	11.5
85.10182	5.0
91.05460	5.9
93.07039	33.3
95.08611	44.6
97.06526	4.6
97.10182	11.5
105.07041	5.0
107.08599	29.7
109.10166	61.0
110.02390	2.6
111.08066	3.1
111.11691	3.1
119.08562	14.3
121.10139	42.1
123.08034	4.4
123.11691	21.0
125.09610	10.7
127.11201	13.4
127.47436	2.6
131.08574	11.2
133.10156	5.4
135.08066	5.0
135.11685	25.9
137.09627	4.5
137.13170	3.4
139.11186	15.6
141.12759	11.7
145.10059	5.0
147.11678	3.4
149.09665	4.3
149.13258	11.5
149.15167	2.9
153.12744	3.2
155.10683	11.6
155.14310	3.0
156.13879	3.8
159.11659	4.2
163.11258	2.6
167.14308	10.9
169.12222	5.7
172.13310	37.0
173.11705	14.4
177.16399	5.1
183.13867	5.2
186.14905	15.5
187.13297	10.7
233.22710	4.7
243.21034	11.8
251.23703	6.2
261.22141	23.6
268.98981	2.6
278.24799	12.6
279.23160	70.0
296.25815	100.0
314.26846	10.4
332.22031	13.9
332.28015	3.5
335.50143	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	332.279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07095	0.7
57.21410	0.4
60.62862	0.4
67.05495	0.9
69.87369	0.4
70.06587	0.8
72.55698	0.4
81.07049	1.5
82.79884	0.4
87.04466	100.0
88.07626	3.2
93.07059	0.5
95.08612	1.5
102.09190	1.6
102.19232	0.4
109.10126	0.6
111.14001	0.4
119.08582	0.4
120.08129	1.9
120.29908	0.4
134.07152	0.4
179.16010	0.5
191.05525	0.4
231.87103	0.4
246.24393	0.7
270.27863	5.7
284.25797	1.4
332.27966	33.4
332.31622	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	332.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05528	1.4
57.07079	4.3
60.04288	0.9
60.04537	14.4
64.32842	0.6
67.05523	1.6
69.07079	1.1
70.06599	5.7
71.08636	3.3
71.64446	0.8
73.84184	0.7
75.96960	0.7
81.07075	1.6
83.08596	1.4
85.10206	1.2
88.07638	13.9
90.31004	0.7
91.05504	1.1
93.07061	1.5
95.08594	2.9
95.38611	0.8
100.07634	3.6
102.09168	1.8
103.03961	1.1
121.10133	1.1
126.09912	1.0
126.16010	0.8
146.08130	7.2
160.09674	3.2
164.09174	4.8
212.23685	1.2
217.89978	0.7
222.04929	0.7
256.26385	14.0
279.22314	1.2
314.26953	14.1
332.21942	60.7
332.27945	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87045	2.2
60.04535	3.0
61.78473	2.1
70.06602	6.6
72.08160	18.6
74.06071	5.0
82.05038	2.5
84.08150	54.0
85.02917	4.3
86.09720	37.6
88.04005	3.8
101.10762	2.5
107.04943	3.0
110.07163	3.4
129.10266	20.4
130.06532	14.9
130.08636	30.3
132.08115	17.1
133.06064	4.5
136.31580	3.0
141.10211	4.5
142.08656	4.4
147.11305	18.0
155.11841	3.6
156.49147	2.9
158.03899	2.9
158.06052	17.9
159.07866	3.4
159.09186	100.0
159.11264	3.8
170.05956	30.5
173.02940	3.8
173.12840	6.1
182.33846	3.3
183.11345	3.5
185.09264	4.5
200.13937	5.4
225.13943	4.9
273.08334	3.8
288.17065	17.9
314.83835	3.2
333.05801	48.2
333.09451	21.8
333.11609	4.1
333.19278	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	333.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05056	4.0
56.96577	2.4
59.24263	1.8
59.46902	1.9
60.04525	9.8
61.62378	2.2
61.99853	2.0
70.06605	4.3
72.08152	16.1
74.06074	2.8
84.04513	12.1
84.08152	95.4
86.09718	73.0
87.09575	2.2
87.10043	26.0
90.05556	5.4
98.97581	3.2
99.05616	3.4
102.05532	3.5
117.06601	5.4
120.08098	3.1
129.10233	19.6
130.05031	3.4
130.06523	4.8
130.08611	4.7
132.10222	14.3
138.05505	12.5
143.11772	14.4
145.06062	5.5
146.97404	3.2
147.11317	3.5
147.97542	2.5
156.07657	2.5
159.09178	17.6
160.07251	2.6
166.41420	2.3
170.05933	4.5
171.03307	10.1
174.96959	2.5
177.09746	2.6
184.07233	2.6
185.16469	2.5
185.82759	2.4
186.16809	5.6
188.07089	2.9
189.04378	46.1
189.12390	13.3
207.05388	26.0
213.04254	4.5
213.15872	3.2
214.16280	9.8
215.01872	2.3
231.05368	17.8
249.06525	3.5
263.98785	3.8
315.17029	5.8
333.09109	100.0
333.19089	35.4
351.09601	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	333.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05639	5.7
70.06599	7.9
72.04522	16.0
72.08155	17.4
74.06071	5.4
84.04476	3.6
84.08147	17.8
86.09695	27.7
91.05513	5.3
96.05634	4.1
110.07169	4.6
116.08222	24.2
118.05016	56.9
119.04946	4.7
120.08063	14.5
129.10194	4.7
137.06015	5.3
149.72719	3.5
160.07175	71.1
173.09476	6.5
174.10243	39.8
175.03882	4.5
207.06538	6.6
215.37524	3.8
258.12469	8.4
289.51627	4.0
316.07898	5.0
330.08728	4.4
333.09439	100.0
333.16763	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	333.104
Annotation	Tos-Lys-CH2Cl
Peak:m/z	Relative Intensity
53.05230	2.9
56.04782	4.0
56.05043	97.4
58.48172	3.6
59.50340	3.2
59.71632	2.8
60.04533	9.0
60.05653	3.0
63.30316	3.4
68.91132	3.5
70.06608	4.7
72.04507	8.8
74.02437	5.9
74.06087	44.7
76.05151	4.9
84.04498	15.4
84.08146	16.1
86.09724	6.1
101.02380	7.5
102.05518	34.1
114.03006	8.2
118.05003	7.0
120.06557	21.5
126.02949	6.1
129.10262	8.7
142.02538	6.4
142.47333	3.6
143.03261	30.2
152.04550	9.3
155.03297	6.4
156.03995	7.5
160.07144	7.5
163.01501	4.3
167.04449	5.2
168.03995	6.8
169.04802	15.1
177.23010	3.8
182.05731	4.0
186.05133	7.3
196.03549	5.1
214.04678	7.8
228.36330	4.1
232.05679	27.3
242.05611	3.8
269.08774	4.9
270.07248	4.2
271.10233	4.1
273.08243	23.1
315.09402	29.0
316.07843	34.9
333.07254	10.1
333.10495	100.0
333.18045	6.3
341.45102	4.6
351.14542	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	333.1558
Annotation	Trp-Ala-Gly
Peak:m/z	Relative Intensity
56.05041	12.5
70.06591	7.4
72.04504	5.7
72.08150	6.7
74.06112	2.4
75.84991	1.2
75.89503	1.3
76.05124	6.6
76.47018	1.3
83.06112	84.8
83.27760	1.0
83.39598	1.1
84.04040	2.6
84.04514	48.1
84.08154	6.1
85.04045	1.7
86.09701	10.9
88.33752	1.3
89.52893	1.2
91.98687	1.2
96.05585	1.5
101.07159	11.5
102.05589	4.0
110.07145	2.1
118.05008	2.5
118.06589	1.6
120.08115	2.3
125.07128	6.9
128.08182	2.2
129.06633	5.5
129.10222	5.0
130.06535	40.3
130.08588	1.4
132.08098	21.0
138.06551	1.7
139.05037	6.0
142.30630	1.3
144.08075	2.4
146.05984	14.1
152.08167	2.9
153.06581	7.3
159.09155	22.2
160.07201	2.9
168.13823	1.9
170.05992	7.0
177.09828	7.3
187.08716	7.6
188.07068	100.0
200.14044	5.0
205.09758	13.8
225.10280	10.4
232.16371	1.8
251.50983	1.4
252.11334	5.8
253.09572	4.9
258.86346	1.3
265.16956	1.5
269.14053	10.8
270.12311	21.2
271.10794	1.8
298.11908	2.8
301.18771	2.9
315.14529	84.8
316.12943	62.9
333.15140	17.5
333.21841	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	333.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07543	2.7
56.96564	7.2
77.71987	2.7
93.07053	4.9
105.07036	3.8
107.08633	4.5
119.08521	3.6
128.98572	6.1
131.00017	18.2
140.98476	24.9
143.00021	15.7
146.99646	6.3
149.01216	3.4
154.99983	4.5
157.01601	3.9
167.00020	6.7
169.01578	14.6
170.99448	4.8
174.99007	32.7
177.02214	11.4
181.01602	5.9
183.03160	7.7
185.01115	18.2
189.00554	37.6
199.02591	4.7
201.00580	6.2
203.02103	15.8
203.03780	6.8
205.05287	8.1
207.03163	4.6
211.02596	4.8
213.00702	4.6
215.02148	5.1
269.10519	24.0
287.11691	16.7
315.16284	42.3
331.11975	4.1
333.13547	100.0
333.17346	82.4
333.20502	24.7
351.18460	22.3
356.19214	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	333.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.5
56.05034	3.8
60.04536	8.6
60.05656	0.8
65.27824	0.7
69.07047	1.6
69.32028	0.8
70.02958	1.2
72.04546	0.8
72.08160	100.0
72.37304	0.7
74.02451	1.3
74.06081	2.2
83.02656	0.8
84.04529	0.9
84.08121	3.5
85.08461	1.2
86.09710	60.9
87.05592	21.8
87.10059	1.5
88.03999	3.4
102.05540	4.4
106.05026	1.9
107.04644	1.0
115.05079	6.8
116.03507	1.5
120.06586	5.3
120.09081	0.8
126.06635	1.5
128.10692	5.0
129.10236	6.1
133.06090	30.7
141.10202	4.1
145.02789	1.0
155.11746	6.8
169.09753	1.7
173.12851	47.0
183.11287	2.3
186.12332	1.5
200.13956	9.8
201.12334	18.8
214.11850	13.9
219.13460	3.3
228.13405	5.2
229.11708	1.0
315.16559	6.3
333.11658	12.1
333.17590	12.3
333.24084	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	333.1921
Annotation	(2S,3S)-2-Hydroxytridecane-1,2,3-tricarboxylate
Peak:m/z	Relative Intensity
53.71032	0.6
55.64389	0.5
56.05037	4.9
57.03473	0.7
58.11927	0.5
60.04531	1.5
60.05661	1.0
70.06580	1.1
72.08149	2.9
74.02437	0.7
74.06101	2.4
75.44133	0.6
76.05112	2.3
84.04510	3.3
84.08147	100.0
84.13321	0.5
85.78535	0.7
86.09703	8.9
87.05611	0.7
87.10049	1.4
87.37808	0.7
101.10777	4.1
102.05565	3.5
110.07166	3.2
112.05109	1.4
116.08272	0.6
118.05022	0.7
120.06583	0.8
120.08123	2.4
129.10243	15.2
130.05023	3.2
130.06516	6.0
130.08641	2.7
132.08104	3.3
132.10237	0.7
143.11868	0.7
144.57147	0.7
146.06007	0.9
146.09282	0.9
147.07643	1.3
147.11272	2.9
159.09187	17.1
159.11285	1.5
160.07202	1.4
170.06010	7.0
177.09799	1.4
188.06999	5.0
205.09798	0.7
239.29649	0.7
293.76334	0.8
299.10190	0.9
316.13034	3.2
316.16718	4.0
317.18198	2.6
333.10434	1.2
333.15591	3.1
333.19244	32.6
353.51074	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	333.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18757	0.6
55.05508	0.8
57.03452	1.2
57.07069	0.9
65.78585	0.8
67.05501	1.0
69.07051	2.9
76.41746	0.6
81.07043	0.8
89.38982	0.7
89.70007	0.6
92.21163	1.5
93.07053	3.0
95.08585	3.0
105.07030	4.7
107.08611	3.4
109.10159	1.0
117.06950	0.7
118.08655	3.1
119.08582	1.3
121.10140	1.7
131.08531	0.9
133.10136	5.7
135.11702	1.0
140.47343	0.7
147.11687	3.3
149.13245	1.4
159.11667	1.4
161.13127	0.8
164.09113	0.8
173.75133	0.9
178.78157	0.8
185.13312	0.8
194.08235	5.6
196.54605	0.8
208.09612	6.4
213.93483	0.7
252.46469	0.9
269.12900	1.7
273.12811	0.7
301.15536	1.0
303.23398	0.7
315.18704	1.7
333.20377	100.0
333.24197	9.0
333.28384	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	333.2034
Annotation	13,14-dihydro-15-keto-PGA2
Peak:m/z	Relative Intensity
51.67580	0.8
53.46701	0.7
56.99553	0.9
57.49824	0.7
77.58558	0.9
98.49361	1.1
111.97784	1.1
121.10250	1.1
202.24655	1.1
305.83044	1.1
316.26273	1.2
333.20288	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	333.2034
Annotation	PGB2
Peak:m/z	Relative Intensity
50.33881	0.4
53.67730	0.4
61.61662	0.4
81.52532	0.4
85.10890	0.5
103.74879	0.5
131.23062	0.5
148.05984	0.5
247.12904	0.7
248.53824	0.5
315.19308	3.8
333.20322	100.0
341.07880	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2032
Annotation	13,14-dihydro-15-keto-PGA2
Peak:m/z	Relative Intensity
59.66095	0.6
62.81813	0.5
63.70425	0.5
71.82493	0.6
73.92016	0.7
75.27666	0.6
80.04491	0.8
81.07051	0.7
89.35284	0.8
96.30108	0.7
143.02026	0.6
144.04744	0.6
179.74078	0.8
187.26483	0.7
213.95151	0.7
225.00562	0.8
257.26559	1.0
333.20334	100.0
333.28464	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	333.2423
Annotation	21-Hydroxypregnenolone
Peak:m/z	Relative Intensity
55.05519	2.7
55.74484	1.7
57.03442	12.2
59.51112	1.8
67.05511	8.2
68.20740	1.9
69.07084	3.8
70.53075	1.9
72.19187	1.9
79.05491	4.5
81.07066	12.9
91.05503	8.7
93.07056	8.9
93.22491	1.9
95.08603	8.3
95.56411	2.1
105.07040	43.0
107.08609	3.9
117.07034	4.9
119.08595	21.3
121.10118	3.6
130.99924	2.7
131.08578	15.2
133.10135	43.3
135.11734	2.6
140.98454	2.3
143.00023	2.9
143.08557	4.1
145.10138	8.7
147.11676	24.3
153.99365	2.1
155.00035	3.3
157.01633	3.1
157.10107	2.3
159.11697	14.4
161.13249	3.6
166.99963	5.1
169.01614	5.2
171.11746	2.9
173.13225	14.8
174.99001	14.5
177.02110	4.0
179.65308	2.3
181.01630	2.7
185.01051	8.7
185.13228	4.0
189.00629	17.3
189.02144	2.1
201.00491	2.5
203.02095	3.5
206.62164	2.4
209.01158	2.3
215.02081	2.7
228.64789	2.2
241.19514	3.1
259.20609	2.8
333.13733	49.2
333.17279	6.1
333.20380	16.5
333.24152	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.7
57.07068	0.6
63.70910	0.6
64.69056	0.5
71.08630	0.6
74.06065	1.3
81.95216	0.7
88.03992	100.0
88.07632	8.1
103.78895	0.5
104.07130	1.0
111.94866	0.7
158.13904	0.6
179.24286	0.6
191.76866	0.6
228.23247	2.8
246.24329	4.4
269.10550	0.9
284.35925	0.7
333.20334	22.5
333.27499	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	333.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	15.3
55.70863	1.2
57.07077	7.5
64.13239	1.3
65.74194	1.1
67.05521	12.3
67.05823	1.6
67.41859	1.1
67.47333	1.1
69.07073	38.4
71.08640	5.1
79.05482	11.0
81.06617	2.7
81.07066	69.4
83.08619	16.8
85.24683	1.2
85.25413	1.3
91.05507	6.7
92.21214	5.3
93.07043	37.8
93.12691	1.3
95.04895	1.1
95.08605	57.6
95.09189	2.6
97.10171	8.7
98.51373	1.4
105.07030	22.0
107.08594	59.4
109.10160	39.9
111.11705	3.4
119.08582	23.8
121.10145	52.0
123.11710	16.1
131.54272	1.4
133.10117	22.7
135.11684	38.6
137.13249	8.8
147.11676	25.3
149.13252	56.4
151.14882	1.5
159.11771	1.4
161.13251	20.2
163.14801	38.0
175.14868	12.1
177.16373	11.0
189.16397	13.0
191.18008	7.0
198.23553	1.6
203.18001	8.9
217.19550	9.3
223.16942	2.5
231.21140	1.8
237.18604	1.7
251.19949	2.8
263.20010	3.1
273.25757	13.5
273.55649	1.3
277.21686	2.3
280.23508	1.9
297.26181	2.7
300.72162	1.4
329.95544	1.8
333.21930	8.9
333.27942	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1073
Annotation	Dihydrosanguinarine
Peak:m/z	Relative Intensity
55.84689	0.3
59.49237	0.2
62.45090	0.3
62.77887	0.3
63.13947	0.2
83.23380	0.3
85.36971	0.3
108.07798	0.3
115.96221	0.3
121.69647	0.3
142.24641	0.3
290.08057	1.4
291.08990	1.3
304.06143	0.7
304.09421	0.8
306.11200	6.4
318.07626	1.4
319.08316	2.2
327.42068	0.3
332.09283	1.2
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	334.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84689	0.3
59.49237	0.2
62.45090	0.3
62.77887	0.3
63.13947	0.2
83.23380	0.3
85.36971	0.3
108.07798	0.3
115.96221	0.3
121.69647	0.3
142.24641	0.3
290.08057	1.4
291.08990	1.3
304.06143	0.7
304.09421	0.8
306.11200	6.4
318.07626	1.4
319.08316	2.2
327.42068	0.3
332.09283	1.2
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
59.56581	0.6
77.79632	0.6
92.20974	0.6
137.62790	0.5
153.69867	0.6
169.34544	0.5
172.47501	0.5
185.41280	0.6
196.13245	0.8
209.80936	0.7
271.24963	0.6
276.06543	2.4
289.07416	0.8
290.08121	25.9
302.08139	7.8
304.06039	28.3
316.06049	0.6
318.03854	1.2
318.07614	41.0
319.08389	52.4
334.10742	100.0
334.23715	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	334.1398
Annotation	Trp Glu
Peak:m/z	Relative Intensity
54.57134	0.5
56.05033	1.4
57.03431	0.6
60.04531	0.9
66.44669	0.5
69.20442	0.5
70.06592	3.6
72.08154	3.9
74.03672	0.5
74.06082	1.3
76.05124	2.8
83.96628	0.6
84.04508	16.2
84.08160	6.6
85.02917	0.9
85.08465	0.6
86.09715	9.4
87.05563	0.6
102.05553	8.6
110.07103	0.7
116.07100	5.7
116.87286	0.6
117.98024	0.7
118.06516	0.7
119.68195	0.6
120.08101	4.1
122.36228	0.7
129.10229	2.8
129.49269	0.6
130.05026	1.9
130.06537	20.7
130.08595	1.1
132.08093	31.9
132.10176	0.8
136.07585	1.5
142.06598	2.1
143.08206	2.4
144.08089	35.8
148.06047	1.3
157.06003	0.9
158.08392	0.7
159.09174	100.0
160.07529	4.0
170.06006	33.4
175.08640	0.8
177.09915	1.3
185.09224	2.4
188.07106	1.4
270.56927	0.7
299.10153	2.5
304.72147	0.6
311.06323	0.8
316.18588	1.3
317.11301	48.8
334.13910	22.2
334.17511	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	334.1398
Annotation	Oglufanide
Peak:m/z	Relative Intensity
50.96835	0.3
51.87041	0.3
57.07085	0.5
58.60089	0.4
69.07056	0.5
70.06595	23.3
71.97546	0.4
72.05724	0.4
72.08180	0.6
83.08591	0.5
84.04510	18.4
84.08144	0.5
84.96020	0.5
85.02895	0.9
86.09712	2.2
87.67496	0.4
91.05464	0.5
98.97618	0.6
101.01737	3.3
101.57008	0.4
102.05542	0.9
109.02890	0.8
118.06558	4.0
120.08103	7.4
130.05009	5.9
130.06528	2.5
132.08096	3.4
141.06619	0.5
141.10147	0.5
142.06520	0.5
144.06540	0.6
144.06976	0.5
144.08099	8.0
146.06012	43.8
156.14702	0.5
158.30991	0.5
159.09160	12.5
161.09157	0.7
169.09734	0.9
170.05997	3.2
187.10783	12.2
188.07068	100.0
189.07426	0.7
205.09732	24.9
217.13409	1.0
225.10236	9.8
245.12827	2.0
270.12503	0.6
271.10788	0.6
293.09451	0.5
311.06522	0.5
316.13095	0.7
317.11456	3.1
334.10233	2.8
334.13956	19.8
334.17670	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	334.2352
Annotation	CARBETAPENTANE
Peak:m/z	Relative Intensity
56.70638	0.9
58.06607	1.8
62.16140	0.8
66.84603	0.7
67.05517	1.1
69.07083	1.1
77.45937	0.9
77.93279	0.9
81.07091	1.1
86.06059	1.4
88.07635	5.9
93.07101	1.2
121.10216	1.1
126.17556	1.1
132.10249	1.9
161.33849	1.2
213.90494	0.9
238.04243	1.0
242.24806	9.9
249.33792	1.0
286.27451	2.0
334.10498	1.5
334.23596	100.0
334.29483	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	334.2349
Annotation	CARBETAPENTANE
Peak:m/z	Relative Intensity
50.59187	1.5
62.15066	1.7
65.57494	1.8
67.31026	1.6
68.83902	2.2
72.04487	1.7
82.60005	1.8
87.04460	8.7
88.04826	2.8
109.10161	1.9
160.43951	2.1
165.12744	4.8
242.24782	8.8
246.56192	2.0
267.86850	2.3
334.10446	3.3
334.20743	20.0
334.23413	100.0
334.28278	4.3
334.29578	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	334.2349
Annotation	CARBETAPENTANE
Peak:m/z	Relative Intensity
55.12557	0.8
58.94211	0.9
64.09662	0.8
68.98894	0.9
79.14883	1.1
85.76224	0.9
85.90207	0.9
101.45061	0.8
242.24861	1.5
334.23526	100.0
334.29752	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	334.235
Annotation	CARBETAPENTANE
Peak:m/z	Relative Intensity
59.22342	0.5
64.73330	0.6
71.19653	0.5
73.80528	0.5
77.46088	0.5
86.06065	0.7
88.07638	1.4
92.20866	0.7
156.44304	0.6
159.65987	0.6
180.10040	0.8
200.37448	0.7
242.24881	2.0
281.23480	0.6
286.27463	0.8
334.10602	2.1
334.23737	100.0
334.29303	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	334.2349
Annotation	CARBETAPENTANE
Peak:m/z	Relative Intensity
54.70310	0.5
67.05503	0.7
68.78476	0.5
82.11728	0.5
84.52677	0.5
92.08212	0.6
95.08596	0.6
126.66780	0.6
141.90135	0.8
171.61095	0.7
233.15851	0.7
242.24879	2.1
247.52361	0.8
334.23526	100.0
334.29819	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	334.235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	0.9
58.06597	1.4
65.36478	0.6
69.07066	0.7
71.08601	0.7
72.04524	1.2
81.07069	0.8
86.06052	0.9
88.07640	4.9
95.08614	1.6
95.17089	0.7
96.91006	0.6
104.07120	1.0
119.08597	0.7
132.10156	0.9
165.12753	3.8
166.10791	0.9
242.24780	19.8
286.27417	6.1
288.19305	3.0
311.06448	1.6
334.10599	1.3
334.23495	100.0
334.29532	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	334.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	21.1
56.78417	1.7
57.07087	19.4
67.05243	1.7
67.05514	33.4
69.07069	40.9
71.08630	8.2
79.05492	4.2
81.07065	47.0
83.08630	35.6
84.08165	2.6
85.10162	2.3
86.06085	2.7
89.68382	1.9
91.05486	4.6
91.14366	1.7
93.07043	8.6
95.08611	57.5
97.06523	8.7
97.10173	19.6
98.09674	2.4
100.07605	9.6
105.07014	8.3
107.08601	10.9
109.10146	36.1
111.08067	4.3
111.11727	3.3
114.09186	9.1
119.08572	11.7
121.10164	10.3
123.08052	3.3
123.11693	17.9
128.10725	3.8
133.10138	15.6
135.11699	10.7
137.09657	3.7
137.13251	4.0
142.12262	2.0
147.11682	12.8
149.13257	3.4
160.44653	2.2
161.13264	4.3
163.14789	4.2
165.16335	2.5
175.14806	4.5
179.18091	3.0
187.57809	2.1
216.04517	2.0
242.24722	2.2
245.22638	24.1
263.23682	37.0
280.26337	100.0
299.25586	2.3
316.23895	14.8
334.24756	2.0
334.29434	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	334.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93293	1.4
55.05529	16.5
57.07084	16.3
67.05514	26.3
67.32099	1.6
69.07072	36.5
71.08624	8.1
79.05503	6.8
81.06619	2.5
81.07067	52.8
81.07530	2.1
83.08625	34.2
84.08142	2.0
85.10188	1.7
86.06071	3.3
86.94645	2.2
91.05475	7.3
93.07041	10.0
94.82011	1.7
95.08611	53.1
97.06547	2.5
97.10183	22.1
98.09689	1.6
100.07620	9.1
105.07045	7.3
107.08606	8.8
108.54852	1.6
109.10163	33.3
109.57777	1.6
111.08099	3.1
111.11713	3.2
114.09167	3.3
119.08574	11.5
121.10153	11.8
123.08037	2.7
123.11716	13.4
125.09589	2.5
128.10722	3.5
133.10130	17.2
135.11713	7.3
137.13289	6.6
142.12306	2.2
147.11685	8.3
149.13251	7.0
151.14835	2.2
161.13287	8.1
163.14796	4.0
165.16393	3.3
175.14774	3.7
179.18025	2.3
189.16354	2.6
219.21031	2.5
242.24713	3.6
245.22597	28.2
263.23691	35.2
280.26343	100.0
286.27551	2.3
298.27631	3.1
299.25662	2.3
316.24075	18.5
334.21222	5.8
334.29474	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	334.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	3.5
56.53281	0.5
57.07071	3.6
58.06602	7.9
60.04525	1.4
70.06595	0.7
71.08632	2.9
72.08170	0.6
74.06084	4.9
86.06059	5.8
88.07625	16.1
89.06043	0.6
99.66346	0.6
104.07082	4.7
115.43199	0.5
118.08681	0.6
125.79744	0.5
132.10179	5.8
162.11223	2.6
166.10748	3.1
174.27019	0.7
242.24765	50.1
254.24786	1.2
286.27414	15.6
316.28677	1.0
334.29492	100.0
345.74258	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57652	0.4
53.52126	0.4
56.76525	0.4
56.92659	0.4
57.07077	4.9
60.58819	0.4
70.06600	9.8
71.08630	0.7
84.08142	0.6
88.07630	20.8
91.79232	0.5
98.97618	0.6
102.09196	13.4
110.40374	0.4
114.09209	0.6
132.10216	4.9
146.11768	2.8
146.97556	0.5
169.42841	0.5
184.20607	2.1
184.57069	0.6
193.49501	0.5
228.23225	80.1
265.40399	0.6
272.25842	22.1
311.06445	0.8
316.28455	5.3
334.10858	0.7
334.23615	26.0
334.29501	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27828	0.3
57.07079	2.6
58.06605	0.5
66.00619	0.4
70.06233	0.6
70.06595	11.3
71.08611	0.8
72.08147	0.9
84.08158	1.8
85.10164	0.6
85.24187	0.4
86.09702	1.6
88.07634	6.1
89.06018	0.8
92.21468	0.4
102.09177	2.7
132.10210	11.8
146.10631	0.5
146.11769	10.5
167.98059	0.4
168.58922	0.4
171.13931	0.4
184.20609	4.2
210.22154	1.0
228.20950	0.8
228.23230	23.4
248.49635	0.6
272.25836	68.9
316.28210	0.9
319.08246	0.5
334.10727	0.9
334.23615	24.5
334.29507	100.0
342.25638	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	334.295
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73898	0.4
57.07077	3.1
57.24113	0.5
59.43059	0.5
70.06599	11.0
71.08643	0.7
72.08155	0.9
82.19303	0.5
82.49196	0.6
84.08131	1.4
85.07588	0.6
85.10201	0.6
86.09692	2.8
88.07631	7.1
102.09159	2.9
125.92508	0.6
132.10205	13.7
146.11758	11.4
167.61334	0.5
184.20592	3.1
210.22061	1.1
213.70338	0.5
222.64214	0.6
228.23219	21.1
228.25377	1.0
228.81474	0.6
272.25824	70.9
316.28049	0.6
334.23590	18.4
334.29501	100.0
336.83264	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40681	1.0
53.80909	1.0
54.16027	0.9
56.96550	5.3
58.17690	1.0
65.70040	0.9
69.03410	1.2
69.07046	2.1
70.06570	4.4
74.06044	2.0
82.32496	1.1
84.08140	1.3
84.96014	2.3
85.02849	5.4
86.09683	2.9
97.02888	1.4
98.97581	55.5
99.04375	1.3
103.03930	4.5
109.05653	1.2
109.06422	1.2
110.97566	10.3
116.97884	1.5
116.98615	30.7
120.08078	1.6
122.05991	1.7
127.03851	7.4
128.98584	13.4
129.10176	2.8
130.08626	2.2
131.08885	1.5
134.99594	7.4
136.07492	2.0
137.06006	1.3
140.98570	2.9
143.00146	11.7
144.98032	4.5
146.99577	7.9
152.98590	13.4
158.98381	1.3
158.99643	38.5
161.01218	8.8
162.99081	4.7
164.99576	1.2
170.99644	12.6
177.00726	24.2
177.09789	1.5
189.00636	4.8
195.01686	1.6
200.06926	1.5
201.00575	4.7
201.10036	1.5
203.10056	1.4
204.10492	1.9
214.08574	2.2
215.11685	8.1
218.99767	1.6
219.01749	41.2
222.49852	1.2
226.08519	2.6
227.08005	5.0
229.09782	8.5
233.06779	1.3
237.00606	2.2
237.02794	46.9
238.93689	1.1
243.11305	17.2
245.09042	7.7
251.37778	1.2
255.03830	2.6
257.09116	2.8
258.09796	1.4
259.10617	1.6
271.10736	24.4
275.07819	9.2
285.99335	1.2
287.10196	2.0
289.11813	8.3
293.09067	65.6
299.10074	7.1
305.11255	2.2
311.10028	11.2
317.11246	13.6
335.09830	100.0
353.11053	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	335.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25743	0.8
59.09196	0.8
59.42937	0.8
61.74194	0.8
62.80128	1.0
62.99364	0.8
63.24736	0.9
63.73461	0.8
65.74905	0.8
66.47784	0.9
67.71284	1.0
81.07005	1.0
81.59344	0.9
84.08133	1.3
85.02916	1.2
114.08540	1.0
124.07645	1.4
130.05016	2.0
141.87506	1.0
155.82188	1.1
156.31810	1.1
234.99084	5.1
245.09207	1.0
289.11688	1.9
317.11212	1.4
335.11008	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
88.76579	1.0
120.04475	1.2
129.75958	1.0
136.07614	1.5
148.03902	1.2
152.07045	1.6
160.27025	1.0
164.07019	2.7
172.07596	1.6
172.11287	1.2
174.07834	1.8
175.08661	4.8
184.07597	7.0
186.09134	4.4
189.10208	1.9
198.09157	13.0
200.07010	9.8
201.10255	10.1
212.07034	2.0
214.08649	4.6
215.08272	1.7
215.11832	22.9
216.08876	1.4
217.09776	10.0
225.10115	4.4
226.08594	6.9
227.08073	8.2
228.06509	4.7
228.08737	2.4
229.09718	56.5
239.08206	2.1
242.08157	1.2
242.10313	3.9
243.11273	57.4
245.09207	50.0
253.09698	10.7
256.08362	1.3
257.09189	16.7
258.09943	2.3
259.10727	9.6
271.10760	100.0
273.12302	2.2
281.09216	15.1
284.54593	1.3
285.97833	1.3
287.10281	25.9
289.11749	11.1
299.10281	30.3
305.11346	12.4
317.11322	37.1
335.12460	40.6
335.17029	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	335.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32709	1.5
55.05513	1.7
57.03443	4.9
57.07083	100.0
63.91499	2.2
69.03441	2.1
69.07076	2.2
70.06596	8.4
71.01364	3.9
71.06922	2.8
73.02901	15.7
75.24155	1.9
75.27882	2.1
81.03439	2.0
83.08639	2.3
83.64637	1.9
85.02910	34.9
85.06557	3.5
92.21474	2.1
95.08614	4.6
97.02908	8.4
99.00815	2.5
99.04466	2.5
101.02364	10.4
103.03953	4.6
103.07596	4.1
113.02349	21.6
120.08077	3.1
121.08478	2.4
124.07574	8.7
129.09018	3.9
131.03430	8.0
137.05971	3.2
137.09523	2.5
141.01837	20.3
146.05991	3.5
155.10698	4.0
159.02910	3.8
159.10175	46.0
177.11249	11.3
188.07108	3.8
208.09628	2.5
215.11816	3.3
229.09650	15.0
243.11192	3.5
245.09280	9.8
253.09769	2.4
257.09280	3.0
271.10703	16.9
286.73108	2.5
287.10272	4.9
289.11783	26.0
299.10181	3.5
317.11426	39.3
335.07532	10.5
335.12970	73.3
335.16891	7.1
349.38153	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	335.1515
Annotation	pimobendan
Peak:m/z	Relative Intensity
55.05506	14.0
56.15648	2.1
57.03437	5.6
60.53955	2.6
64.42842	2.5
67.05510	45.8
68.51332	2.3
69.07063	13.6
70.30975	2.4
79.05503	22.6
79.57926	2.8
80.34524	2.8
81.07058	51.6
83.05004	4.1
83.08608	11.2
91.05473	6.3
91.44367	2.6
93.07047	22.8
95.04982	2.8
95.08611	49.8
97.10194	3.9
107.08582	19.5
109.10159	22.1
116.98437	5.0
119.08539	4.0
121.10096	12.0
123.09503	2.9
123.11681	12.4
131.00026	20.3
131.08507	3.6
135.11681	6.0
139.00516	3.9
140.98470	22.9
143.00023	16.8
145.01523	3.4
149.13200	4.3
151.00531	3.9
151.11115	3.0
153.02115	3.9
153.99199	3.8
155.00006	24.9
157.01578	49.7
163.00459	3.2
164.99580	10.5
165.02098	5.3
167.00031	18.4
167.03712	11.9
169.01540	28.7
170.99510	15.0
174.98994	60.5
175.02542	3.4
177.02107	11.1
179.03613	4.3
181.01514	3.7
182.99571	3.5
183.03180	15.8
185.01083	29.0
186.99014	6.9
187.47084	3.3
189.00555	100.0
191.03601	5.2
193.05263	4.4
195.03171	5.0
197.01141	2.9
197.04826	3.7
199.02609	14.0
201.00595	15.9
203.02170	27.0
205.05276	5.8
209.01112	11.5
211.02518	3.5
215.02132	15.0
223.02574	6.7
225.04187	52.2
227.05716	11.4
229.03644	4.8
243.05170	22.9
279.08878	33.4
281.10373	3.2
298.46878	2.9
335.15106	75.7
335.25751	49.8
335.29575	33.9
339.88306	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	335.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58194	0.2
57.58512	0.2
67.05518	0.6
69.82417	0.2
79.33047	0.3
94.06567	1.9
113.01465	0.2
113.09097	0.3
122.06026	13.8
122.58387	0.3
136.07578	19.1
140.07028	0.3
164.07054	100.0
167.06934	0.3
182.08121	52.5
231.07680	1.5
243.11258	0.3
270.69168	0.3
335.10315	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	335.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.8
56.05032	3.2
56.18719	0.5
58.04094	1.1
58.53330	0.5
60.04526	0.6
61.99708	0.5
66.27106	0.6
70.06594	2.7
70.68147	0.6
71.08617	1.3
72.04516	11.4
74.02445	2.4
74.06091	8.2
76.05130	48.7
83.04829	1.5
83.08654	0.9
84.08145	0.8
85.04033	1.0
86.09696	5.4
95.08605	0.6
98.03519	1.0
99.04328	1.3
99.08074	1.0
100.05106	10.6
102.05540	5.4
111.04308	1.2
114.06628	1.1
116.04604	2.4
116.07108	2.3
118.05017	25.6
120.06588	6.8
120.08092	2.4
125.05856	1.5
131.09276	1.5
132.10181	0.7
135.07629	0.9
159.08783	3.3
160.07170	37.1
170.12886	2.5
177.09824	100.0
183.11339	0.9
198.12361	2.7
216.13390	0.8
270.05896	0.7
299.17072	1.2
317.18149	1.0
335.19211	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	335.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78054	0.8
56.49729	0.8
58.97657	0.9
62.24228	0.8
73.03578	1.0
77.48163	1.0
83.54169	1.1
86.09712	38.5
92.21033	1.2
92.21543	1.0
115.64754	1.0
120.08102	100.0
121.06528	1.7
128.10713	15.3
131.04878	1.2
156.10185	1.9
170.81378	1.1
180.10187	59.8
219.06514	4.7
335.23764	1.9
335.27429	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	335.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.6
57.03440	1.6
57.07076	0.8
65.46472	0.6
67.05521	4.6
69.07082	1.5
79.05506	3.1
81.07072	6.9
81.37433	0.6
88.07590	0.9
91.05480	1.0
93.07049	3.5
93.97379	0.6
95.08627	4.8
97.10136	0.6
105.07033	0.6
107.08582	3.5
109.10197	1.4
110.02283	0.7
119.08545	1.2
121.10110	1.6
135.11664	1.3
149.13235	1.2
174.53821	0.6
243.25175	2.5
287.27646	1.0
335.21921	100.0
335.25739	10.4
335.30029	7.4
337.84967	0.6
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	JWH 015-d7
Peak:m/z	Relative Intensity
51.03852	0.5
56.01139	0.6
69.46461	0.8
72.46382	0.7
80.84086	0.6
83.98033	0.6
91.25192	0.8
95.08585	0.7
120.10588	0.8
142.10463	0.6
161.03893	0.7
176.12543	0.7
177.98085	0.7
212.75026	0.7
290.45618	0.7
309.34998	0.8
335.21835	100.0
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	JWH 015-d7
Peak:m/z	Relative Intensity
51.03852	0.5
56.01139	0.6
69.46461	0.8
72.46382	0.7
80.84086	0.6
83.98033	0.6
91.25192	0.8
95.08585	0.7
120.10588	0.8
142.10463	0.6
161.03893	0.7
176.12543	0.7
177.98085	0.7
212.75026	0.7
290.45618	0.7
309.34998	0.8
335.21835	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49709	1.1
55.05518	5.5
57.03439	6.4
67.05521	13.4
69.07059	6.1
72.04504	1.2
79.05492	7.5
81.07069	15.4
83.08646	2.1
84.32299	1.3
88.07626	2.2
88.26405	1.3
93.07042	11.3
95.08596	15.6
105.06999	2.4
107.08594	6.9
109.10152	8.6
119.08573	2.0
121.10147	5.6
131.08508	2.4
133.10144	2.8
135.11719	3.4
145.10178	1.6
147.11684	1.9
165.12770	1.9
170.71767	1.5
195.09882	1.6
207.57228	1.4
243.25096	15.7
261.22141	1.7
287.27689	2.9
296.79294	1.4
335.21936	100.0
335.25739	29.2
335.29880	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	335.2191
Annotation	JWH 015-d7
Peak:m/z	Relative Intensity
53.43863	0.5
57.03432	0.8
59.80345	0.4
67.05503	1.0
67.16737	0.6
81.07066	2.7
81.64653	0.6
88.03989	0.7
93.07024	0.9
95.08592	1.2
107.08632	1.2
112.99442	0.6
121.10118	0.7
177.14751	0.6
212.01534	0.7
219.06528	2.9
225.10962	4.3
263.29572	0.6
335.21912	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	335.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	17.4
57.03450	6.2
59.92307	3.1
67.05524	32.9
69.07070	24.7
69.37113	3.8
70.78341	3.2
71.04995	22.6
79.05490	25.8
81.07069	32.9
83.08605	6.6
84.60667	3.7
91.05486	29.2
93.07041	48.8
95.04948	16.1
95.08594	35.5
105.07043	75.5
107.08608	40.4
109.06510	5.0
109.10179	22.7
111.08117	3.9
112.39858	4.7
115.05467	6.2
117.06998	17.4
119.08580	88.7
121.10149	25.7
129.07027	16.7
129.46695	3.8
131.08574	72.1
133.10139	100.0
135.08063	24.3
135.11722	9.5
141.07060	4.9
142.07811	16.1
143.08563	31.1
144.09375	5.7
145.10135	62.1
147.11673	18.3
149.09686	6.5
155.08575	9.3
156.09338	20.3
157.10132	58.9
158.10910	20.4
159.11703	33.2
161.09616	16.9
163.11169	4.5
165.71840	4.0
169.10153	16.3
171.11678	59.5
171.71248	4.0
173.13283	63.8
175.14832	9.9
183.11687	6.8
185.13304	19.8
187.14777	32.7
193.10115	6.1
195.11696	23.1
197.13280	37.8
199.11230	6.0
199.14821	34.9
206.49254	4.5
207.11670	14.1
208.12424	4.4
209.13249	21.9
211.14803	9.2
212.15553	16.2
221.13280	19.6
223.14798	7.9
225.16351	4.6
237.16403	9.2
239.17812	5.6
249.16403	5.2
265.19540	4.8
277.19455	23.0
287.68475	4.4
335.23276	78.2
335.26578	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	335.2577
Annotation	Allotetrahydrodeoxycorticosterone
Peak:m/z	Relative Intensity
55.05512	8.8
57.03446	15.9
57.07032	0.8
65.03936	0.7
67.04093	0.8
67.05510	36.1
69.07079	10.1
72.04507	2.1
76.73463	0.9
78.35477	0.7
79.05495	16.2
81.06628	1.7
81.07063	38.7
83.08604	5.0
85.06501	0.9
91.05460	6.5
91.23675	0.9
93.07040	24.4
95.04959	1.6
95.08607	37.1
97.06514	1.1
99.08138	1.0
105.07037	7.5
107.08601	16.7
109.10155	19.6
119.08584	8.2
121.10148	14.5
123.11668	8.3
129.05432	1.1
131.08542	7.1
133.10118	6.6
135.11708	15.3
137.13220	0.9
145.10056	5.5
147.11665	5.5
149.13287	7.5
159.11656	4.0
161.13219	5.7
163.14784	3.9
165.12715	3.4
166.13127	3.3
173.13240	3.5
177.16428	1.4
187.14771	1.5
199.63486	1.2
205.00110	0.9
243.21011	5.4
261.22061	6.8
279.23138	1.0
292.38226	1.0
309.56171	1.0
317.24640	1.4
335.25699	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	335.2578
Annotation	Allotetrahydrodeoxycorticosterone
Peak:m/z	Relative Intensity
55.05523	3.6
56.16432	1.6
57.03444	14.5
59.59096	1.7
67.05518	35.2
69.07072	9.5
73.60266	1.5
73.96564	1.6
74.16310	1.5
78.86102	1.6
79.05508	13.3
81.06619	2.2
81.07072	40.7
83.08630	3.3
87.86519	1.9
88.07629	7.3
91.05476	4.1
93.07058	19.6
95.08619	29.5
105.07021	3.5
107.08585	19.4
109.10143	14.1
118.00613	1.9
119.08587	8.4
121.10199	16.8
123.11726	7.5
131.08556	3.9
133.10155	2.9
135.11703	13.9
145.10193	4.0
147.11668	2.0
149.13252	3.7
159.11653	2.8
161.13251	7.4
163.14848	2.5
173.13226	3.5
175.14864	2.5
180.49722	1.7
242.24825	2.6
243.21114	7.5
243.25113	14.9
261.22156	7.0
287.27618	2.9
335.21866	32.9
335.25769	100.0
335.29828	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	335.2578
Annotation	Allotetrahydrodeoxycorticosterone
Peak:m/z	Relative Intensity
50.33858	1.2
55.05514	3.1
57.03439	10.0
62.29509	1.2
67.05508	29.5
69.07072	5.5
71.04990	1.5
77.39095	1.4
79.05477	12.1
81.06609	2.4
81.07059	39.9
81.07520	1.5
83.08606	7.0
91.05476	5.2
92.20939	1.8
93.07050	21.0
94.24706	1.4
95.08603	33.1
97.06538	2.0
97.10185	1.9
97.19900	1.4
102.93903	1.4
104.78174	1.2
105.07032	8.1
107.08590	16.8
109.10152	14.1
117.07030	1.7
119.08585	7.3
121.10150	16.7
123.11709	5.4
131.08549	6.4
133.10117	6.4
135.11708	16.3
137.13301	2.3
145.10106	5.5
147.11682	3.5
149.13239	8.6
159.11696	3.0
161.13257	6.9
163.14764	5.7
173.13261	3.0
187.14914	1.7
197.92249	1.6
201.16386	1.7
243.21068	5.2
261.22116	8.4
282.39551	1.6
296.57489	1.4
317.24716	1.6
335.25781	100.0
343.28616	1.4
349.31955	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	335.2578
Annotation	Allotetrahydrodeoxycorticosterone
Peak:m/z	Relative Intensity
55.05524	7.7
55.81515	0.8
55.84535	0.9
56.30368	0.8
57.03445	13.6
57.07081	0.9
59.75577	0.7
62.95910	0.7
67.05511	32.8
67.08918	0.7
69.07063	6.9
76.84046	0.9
79.05490	14.0
81.07063	35.2
83.08608	3.9
84.80586	1.0
91.05481	5.7
93.07045	22.1
95.04943	1.5
95.08610	29.8
97.06567	0.9
97.10151	1.3
105.07025	6.2
107.08601	16.1
109.06513	1.1
109.10160	13.7
109.42903	0.8
111.33894	0.9
117.06998	1.1
119.08559	5.5
121.10141	13.4
123.11676	3.6
126.76965	0.9
131.08556	1.4
133.10147	5.5
135.11714	8.4
135.38231	0.9
137.13243	1.1
145.10168	1.6
147.11649	4.2
149.13249	5.8
159.11708	1.6
161.13281	1.9
163.14835	1.8
173.13300	4.4
187.14844	1.5
229.24161	0.9
243.21080	4.3
261.22110	5.3
274.69849	0.9
317.25012	1.3
335.25818	100.0
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
53.00320	0.8
54.16101	0.9
55.05515	9.3
57.03445	11.8
57.07079	2.3
57.22535	0.9
67.05510	43.4
69.07080	10.3
71.48618	0.8
79.05496	19.2
81.06618	1.6
81.07063	41.6
83.08621	5.1
91.05472	8.1
93.07048	27.0
95.08006	1.6
95.08610	36.2
97.10157	1.5
105.07027	5.9
107.08598	14.5
109.10151	14.6
117.06995	1.5
119.08574	7.7
121.10131	12.9
123.11725	5.6
131.08571	6.3
133.10136	5.8
135.11697	9.0
137.13235	1.3
145.10155	4.9
147.11743	2.1
149.13249	4.1
159.11696	3.9
161.13264	1.8
198.97984	0.9
207.96129	1.1
261.22049	1.9
335.25824	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	335.2579
Annotation	3alpha,6alpha-Dihydroxy-5beta-pregnan-20-one
Peak:m/z	Relative Intensity
54.01180	1.0
55.05522	11.1
57.03453	13.8
67.05515	46.9
69.07068	11.4
73.77994	1.0
77.50611	0.9
78.01704	1.0
79.05498	23.2
81.06613	2.1
81.07067	46.0
83.08649	4.3
91.05475	9.3
93.07047	34.0
95.04967	1.7
95.08611	36.8
105.07033	8.6
107.08618	15.2
109.10172	13.8
113.58869	1.1
117.07061	1.2
119.08627	7.9
121.10117	10.5
123.08060	1.3
123.11708	1.3
131.08597	2.3
133.10115	2.2
135.11711	6.6
145.10173	2.6
146.21440	1.0
149.13266	2.2
159.11653	1.8
173.13321	1.8
177.94661	1.1
187.78705	1.2
207.52039	1.2
218.17453	1.7
335.21881	50.9
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	335.2578
Annotation	Allotetrahydrodeoxycorticosterone
Peak:m/z	Relative Intensity
55.05523	3.6
56.16432	1.6
57.03444	14.5
59.59096	1.7
67.05518	35.2
69.07072	9.5
73.60266	1.5
73.96564	1.6
74.16310	1.5
78.86102	1.6
79.05508	13.3
81.06619	2.2
81.07072	40.7
83.08630	3.3
87.86519	1.9
88.07629	7.3
91.05476	4.1
93.07058	19.6
95.08619	29.5
105.07021	3.5
107.08585	19.4
109.10143	14.1
118.00613	1.9
119.08587	8.4
121.10199	16.8
123.11726	7.5
131.08556	3.9
133.10155	2.9
135.11703	13.9
145.10193	4.0
147.11668	2.0
149.13252	3.7
159.11653	2.8
161.13251	7.4
163.14848	2.5
173.13226	3.5
175.14864	2.5
180.49722	1.7
242.24825	2.6
243.21114	7.5
243.25113	14.9
261.22156	7.0
287.27618	2.9
335.21866	32.9
335.25769	100.0
335.29828	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	335.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	14.0
56.71087	1.0
57.07080	9.7
61.02928	1.7
67.05515	20.6
69.07080	22.8
71.08627	2.9
79.05488	6.4
81.07065	66.6
83.08624	20.6
88.28018	1.5
91.05460	1.7
93.07050	18.7
95.08614	100.0
97.10168	7.3
99.89410	1.2
105.07010	2.0
107.08604	26.1
109.10159	65.9
111.11728	2.3
119.08588	2.4
121.10146	20.4
121.97948	1.4
123.11707	28.2
135.11736	12.3
137.13240	14.3
145.10136	2.7
149.13246	18.5
151.14807	20.9
159.11787	1.4
163.14833	8.4
165.16339	1.6
168.22678	1.4
219.21135	1.3
263.88702	1.6
275.27261	7.3
318.24039	1.4
335.25879	2.4
335.29785	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	336.0164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.0
60.04531	0.6
70.06596	4.3
72.08160	41.6
72.47768	0.6
72.93782	8.0
81.03442	0.9
81.27419	0.5
84.08147	1.6
85.02905	0.9
86.09707	3.8
90.94827	4.5
91.05483	27.2
98.68862	0.7
108.95880	0.7
110.07141	0.9
113.96407	9.2
119.04913	1.2
120.08107	87.9
123.43881	0.6
129.10246	1.4
131.97411	4.9
132.08049	0.7
136.06099	0.7
136.06396	0.8
136.07581	21.4
138.98396	0.8
144.95850	0.8
146.06058	0.8
147.49287	0.6
149.00494	4.2
150.98450	0.6
152.96315	0.8
159.07672	1.2
164.99982	100.0
166.97894	3.9
170.97374	0.9
171.97026	0.9
176.99965	0.8
178.97917	0.8
180.99536	0.9
183.01025	6.7
189.12343	1.4
190.97873	1.4
192.99474	20.4
208.98972	1.2
211.00488	1.1
219.14923	24.5
223.00505	6.3
232.98857	0.9
237.12286	1.4
247.14410	23.0
248.98306	1.1
250.99997	2.9
254.99506	9.3
269.01135	6.3
273.00616	2.7
274.01605	10.4
292.02600	5.0
294.99011	13.1
295.16617	5.8
313.00012	11.5
318.00739	1.0
336.01617	1.3
336.15668	1.2
336.19321	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	336.0862
Annotation	S-Formylglutathione
Peak:m/z	Relative Intensity
56.05032	0.4
58.10473	0.2
64.75972	0.2
67.05486	0.2
69.62843	0.2
71.77788	0.2
73.02916	1.2
84.04474	0.2
96.04501	0.3
97.00941	0.2
110.96125	0.2
116.52275	0.2
120.08087	0.2
126.05521	2.0
136.06285	0.3
138.05511	5.6
144.06541	1.2
168.06560	1.1
186.07643	0.4
204.08702	2.7
222.00534	0.2
265.07373	0.5
278.08179	1.2
280.09705	3.2
283.15421	0.3
292.09558	1.8
293.06741	0.5
293.10364	0.3
301.16376	0.3
306.07468	2.7
308.09158	9.9
308.11737	0.4
320.09085	2.8
321.06564	0.5
321.09982	4.9
334.07166	2.2
336.08670	100.0
336.12326	14.4
339.89807	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	336.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	0.4
58.10473	0.2
64.75972	0.2
67.05486	0.2
69.62843	0.2
71.77788	0.2
73.02916	1.2
84.04474	0.2
96.04501	0.3
97.00941	0.2
110.96125	0.2
116.52275	0.2
120.08087	0.2
126.05521	2.0
136.06285	0.3
138.05511	5.6
144.06541	1.2
168.06560	1.1
186.07643	0.4
204.08702	2.7
222.00534	0.2
265.07373	0.5
278.08179	1.2
280.09705	3.2
283.15421	0.3
292.09558	1.8
293.06741	0.5
293.10364	0.3
301.16376	0.3
306.07468	2.7
308.09158	9.9
308.11737	0.4
320.09085	2.8
321.06564	0.5
321.09982	4.9
334.07166	2.2
336.08670	100.0
336.12326	14.4
339.89807	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	336.0865
Annotation	S-Formylglutathione
Peak:m/z	Relative Intensity
56.64727	0.1
83.24850	0.2
93.14712	0.2
97.48808	0.2
107.95245	0.2
143.38904	0.2
264.06186	0.2
266.08038	0.4
278.08344	0.2
288.06790	0.2
290.08109	3.0
294.07559	1.3
305.06738	0.4
306.07712	0.4
308.09171	4.6
316.05658	0.2
318.07620	6.9
320.09348	0.2
326.45242	0.2
334.07129	1.0
336.08655	100.0
337.35742	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	336.0864
Annotation	S-Formylglutathione
Peak:m/z	Relative Intensity
69.27266	0.4
72.89676	0.4
81.07064	0.6
91.04520	0.4
92.21184	0.7
95.08572	0.6
108.23573	0.5
166.10260	0.5
177.51425	0.6
250.08640	2.7
262.09137	0.5
278.08081	3.8
280.09644	5.9
290.08121	2.3
292.06512	0.7
292.09607	3.5
293.06873	2.9
306.07608	2.4
307.08258	0.7
308.09158	76.7
319.23877	0.7
320.09161	4.4
321.10016	4.1
334.07016	8.4
336.08664	100.0
336.12277	13.7
336.25018	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	336.0863
Annotation	S-Formylglutathione
Peak:m/z	Relative Intensity
54.49685	0.2
56.94362	0.2
60.08595	0.2
68.48766	0.2
70.06612	0.2
73.84789	0.3
86.09712	1.6
87.04467	0.3
120.08115	5.9
126.05526	0.3
132.10204	0.5
138.05545	0.4
141.27022	0.3
177.10130	1.1
189.12376	0.3
205.09807	0.4
220.68391	0.2
226.87993	0.2
254.50270	0.2
266.08142	1.0
277.07291	1.0
288.06479	0.3
290.08008	2.7
292.09695	0.5
294.07639	1.3
306.07492	1.1
308.09137	4.5
318.07578	6.7
320.09125	1.3
321.10153	0.4
334.06985	1.2
336.08649	100.0
336.11917	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	336.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52698	0.1
68.18973	0.1
72.08160	5.3
84.49355	0.2
85.05484	0.2
86.09710	1.4
87.04446	0.2
94.68834	0.2
97.11120	0.2
113.87279	0.2
120.08106	4.1
132.82707	0.2
143.11794	4.0
164.10649	0.2
166.08641	0.9
170.06010	0.2
171.11302	2.4
223.10776	0.3
225.07858	0.3
231.66106	0.2
233.16618	0.4
249.07869	0.3
257.06796	0.8
261.15918	0.4
265.07364	0.7
280.09622	0.4
281.06967	0.3
293.06833	5.4
306.07645	1.2
308.09204	5.2
321.06412	1.4
336.08661	100.0
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	S-Formylglutathione
Peak:m/z	Relative Intensity
50.69724	0.2
65.27415	0.2
80.02766	0.2
91.52326	0.2
92.20992	0.3
95.45889	0.2
95.78338	0.2
100.09991	0.2
127.63506	0.2
188.26048	0.2
266.08109	0.4
288.06497	0.3
290.08093	3.7
294.07645	1.6
305.06873	0.4
306.07495	0.9
308.09161	4.2
318.07617	6.5
332.62958	0.2
334.07208	0.8
336.08661	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61750	0.2
55.46523	0.2
56.05039	0.5
56.30123	0.2
57.36628	0.2
68.11810	0.2
70.06606	0.4
71.62292	0.2
71.82086	0.2
72.04514	0.6
72.08141	0.8
75.02594	0.2
84.04504	0.5
84.08155	0.6
86.09722	1.7
86.10213	0.2
110.07188	0.3
115.04028	0.2
120.08083	2.7
126.05508	0.3
130.06531	0.3
132.08081	0.4
136.07626	0.2
138.05569	0.4
141.84619	0.2
144.08133	0.3
152.05635	0.3
159.09203	3.0
170.06023	1.1
184.31152	0.2
188.94933	0.2
191.11722	0.3
200.82401	0.2
237.07661	0.3
249.07751	0.3
257.06818	1.1
265.07245	0.3
266.54282	0.2
278.08063	0.4
281.06851	0.3
292.09564	0.4
293.06860	5.4
306.07596	1.5
308.09174	5.9
319.11002	0.8
320.09256	0.9
321.06314	1.4
321.09576	0.5
336.08673	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87606	0.4
54.89470	0.5
56.05060	0.6
60.78912	0.5
61.01967	0.5
69.62675	0.5
72.04515	1.0
79.53691	0.5
89.03937	0.7
114.06643	4.4
117.03410	4.4
117.06646	0.8
120.08109	0.7
145.02852	43.1
149.06013	0.8
160.05765	0.5
160.07172	70.9
177.05472	100.0
188.18803	0.6
312.76367	0.7
336.11880	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	336.119
Annotation	Mitomycin B
Peak:m/z	Relative Intensity
60.10384	0.5
69.03432	0.7
70.06599	0.7
72.04512	2.4
78.57222	0.5
84.08158	0.6
85.02924	0.6
86.09732	0.9
88.07631	1.4
89.03934	0.6
90.13844	0.6
92.86736	0.6
107.04954	2.8
109.02850	0.6
114.06647	4.4
117.03380	3.8
117.06633	0.9
121.06445	0.7
123.73451	0.6
136.07565	3.2
137.02342	0.6
139.07532	1.0
143.08203	0.7
145.02846	41.4
145.06117	0.7
149.05984	2.3
155.11157	0.6
160.07162	60.1
162.05508	3.0
171.08084	0.7
174.09140	2.4
177.05463	100.0
200.10738	0.8
214.08487	4.2
223.00525	0.9
228.06342	1.0
228.10342	0.6
232.09753	1.2
233.04955	1.2
240.48845	0.6
242.08197	3.8
246.07594	2.4
259.08325	3.6
260.09167	6.2
274.01755	0.7
290.10236	15.5
305.63065	0.6
309.13776	0.6
318.09525	1.3
322.31186	0.6
336.11823	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	336.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
62.35620	0.3
63.57427	0.3
67.08201	0.3
72.16998	0.3
73.02907	0.6
84.04499	0.5
86.09731	0.3
95.08641	0.4
98.97604	0.4
101.01730	1.9
107.25935	0.4
109.10159	0.4
120.08128	0.4
126.05523	2.6
135.11678	0.4
138.05489	5.2
144.06589	0.4
145.10181	0.5
161.13153	0.6
168.06557	1.4
186.07649	0.4
204.08711	2.5
248.08524	0.4
250.08591	0.5
265.10959	4.1
278.08066	1.4
292.09616	3.0
293.10349	4.5
298.09708	0.4
306.09634	0.5
306.59848	0.7
308.09219	2.1
313.09436	0.4
314.10922	1.8
320.09052	4.3
321.09937	44.0
328.10760	1.9
336.09241	4.0
336.12292	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	336.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
60.73498	0.2
73.02917	0.6
81.97348	0.2
84.04501	0.4
86.02078	0.3
86.85268	0.3
96.04487	0.3
112.82519	0.2
120.08135	0.3
126.05494	2.0
129.07176	0.2
135.17937	0.2
136.06186	6.7
138.05504	4.6
144.06569	0.6
148.06177	2.6
168.06534	1.2
186.07584	0.6
204.08667	1.7
204.12422	4.8
221.57524	0.3
280.09668	0.5
283.81870	0.3
292.09586	2.8
304.09738	0.6
306.07721	0.5
308.09036	1.2
320.09158	11.9
321.09915	9.5
336.08609	13.3
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	336.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
60.33522	0.4
95.64408	0.4
110.20589	0.4
166.26712	0.4
172.03519	0.4
213.86951	0.4
264.10135	0.5
288.27667	0.4
291.08780	0.8
292.09665	8.7
293.10434	0.9
306.07993	0.5
308.12848	1.7
320.05396	1.0
320.09149	27.6
321.09906	9.3
323.29272	0.5
336.12271	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	336.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68723	0.4
71.02305	0.4
74.56813	0.5
78.41311	0.4
84.93806	0.4
86.81584	0.4
92.21483	0.6
96.77702	0.4
113.14675	0.5
278.08044	0.8
291.08774	1.1
292.09686	26.1
304.09686	6.8
306.07590	9.3
320.09189	32.8
321.06161	1.0
321.09967	37.4
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	336.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23343	0.3
56.86543	0.3
69.23428	0.4
114.26299	0.5
132.79959	0.4
287.10168	0.4
290.08258	0.4
291.08966	1.0
292.09680	9.8
292.35663	0.4
304.09616	0.5
306.07764	0.6
308.12994	3.0
320.09146	25.5
321.09976	9.8
334.10669	0.8
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	336.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
62.35620	0.3
63.57427	0.3
67.08201	0.3
72.16998	0.3
73.02907	0.6
84.04499	0.5
86.09731	0.3
95.08641	0.4
98.97604	0.4
101.01730	1.9
107.25935	0.4
109.10159	0.4
120.08128	0.4
126.05523	2.6
135.11678	0.4
138.05489	5.2
144.06589	0.4
145.10181	0.5
161.13153	0.6
168.06557	1.4
186.07649	0.4
204.08711	2.5
248.08524	0.4
250.08591	0.5
265.10959	4.1
278.08066	1.4
292.09616	3.0
293.10349	4.5
298.09708	0.4
306.09634	0.5
306.59848	0.7
308.09219	2.1
313.09436	0.4
314.10922	1.8
320.09052	4.3
321.09937	44.0
328.10760	1.9
336.09241	4.0
336.12292	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	336.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20575	0.3
54.57444	0.3
73.43511	0.3
92.21072	0.7
98.69035	0.4
157.55006	0.3
194.34161	0.4
264.10214	0.9
271.89581	0.5
291.09061	0.4
292.09647	8.8
293.10580	0.7
308.12778	1.6
320.09189	28.3
321.09930	8.4
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	336.123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15189	0.4
60.69669	0.4
68.98425	0.4
77.36423	0.5
113.14047	0.5
138.05472	1.0
153.30504	0.5
158.13812	0.5
202.20770	0.6
275.09354	0.9
278.08139	1.3
291.08749	0.6
292.09668	26.0
304.09641	4.0
306.07651	10.4
320.09177	33.3
321.06155	1.2
321.09964	37.7
336.12302	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	336.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24196	0.5
55.92753	0.6
57.03423	1.1
58.30348	0.5
58.39035	0.4
59.69061	0.5
61.02921	1.2
65.25791	0.6
69.03422	0.7
73.02921	9.8
73.55943	0.5
81.03429	0.6
84.04509	6.8
87.04457	0.6
96.04494	3.9
97.02883	0.8
98.06049	2.9
109.02876	1.3
126.05520	18.0
138.05505	58.2
144.06560	13.4
150.99536	0.6
155.59865	0.6
168.06552	11.5
186.07619	12.5
204.08661	23.1
205.17860	0.7
278.08057	0.8
292.09637	20.7
304.09702	2.3
304.19101	1.1
306.07437	6.5
307.08075	0.6
312.08710	0.7
320.05396	1.1
320.09158	29.1
321.09943	28.5
324.44016	0.7
336.12302	100.0
336.25110	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	336.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06685	0.5
56.53266	0.5
57.03428	3.4
61.02916	1.1
64.92500	0.5
73.02917	12.3
76.09905	0.6
81.07046	0.6
84.04500	8.5
94.50227	0.5
96.04488	4.3
97.02884	1.3
98.06035	3.9
109.02882	1.3
115.03933	0.8
126.05512	21.9
126.17307	0.6
127.03894	1.1
138.05501	72.2
139.52127	0.6
140.23581	0.5
144.06552	14.4
168.06523	13.0
176.55209	0.6
185.75833	0.7
186.07603	12.9
188.73289	0.6
204.08676	26.7
256.36011	0.6
275.09399	0.7
278.08035	0.9
292.09619	21.4
304.09543	2.7
306.07474	6.2
320.09167	32.4
321.06140	0.9
321.09958	27.8
323.24091	0.6
336.12280	100.0
336.25049	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	336.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67310	0.7
55.71800	0.5
57.03446	4.2
61.02932	2.8
68.72458	0.6
69.03448	1.0
70.66672	0.6
72.08170	1.2
73.02927	20.3
81.03434	1.1
84.04515	15.0
85.02937	0.6
86.09663	0.7
94.54600	0.7
96.04509	5.4
97.02896	3.1
98.06058	6.9
109.02895	1.2
114.05535	0.7
115.03911	1.0
120.08087	3.9
126.05519	32.5
127.03927	1.1
131.18333	0.7
136.06197	3.9
138.05511	100.0
144.06573	19.9
168.06561	22.3
177.10272	1.1
186.07634	18.8
204.08676	55.9
204.13878	0.8
292.09592	3.2
318.20770	2.9
320.09152	7.2
321.10080	5.7
328.10614	1.0
333.18643	0.8
336.08600	10.1
336.12436	42.6
336.21671	6.6
343.63589	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	336.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28142	0.5
51.36504	0.5
57.03435	0.9
58.20766	0.5
58.42818	0.5
61.02920	3.2
64.74784	0.5
69.03390	0.9
69.30251	0.5
73.02919	21.2
81.03404	1.4
84.04508	9.9
84.04983	1.0
85.02876	0.5
96.04511	4.1
97.02869	3.2
98.06071	6.7
109.02866	2.8
115.03888	2.2
126.05512	31.0
131.77943	0.6
138.05502	100.0
144.06567	21.3
156.99646	0.7
168.06543	19.5
186.07607	21.9
204.08678	43.5
292.09671	5.0
320.09134	8.4
321.10049	4.6
336.08646	3.2
336.12381	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	336.144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16376	0.5
53.26447	0.4
53.46960	0.4
66.13152	0.5
71.81771	0.5
72.08149	0.5
73.02902	0.9
81.07060	9.7
83.04987	0.6
85.06555	0.6
86.09695	1.2
91.05482	5.8
93.07031	2.4
98.43301	0.5
109.06524	14.8
110.48206	0.6
114.06650	0.7
119.04922	8.0
120.08082	1.1
123.04440	2.7
126.05492	2.1
127.07542	0.7
136.07581	100.0
137.05978	22.4
138.04494	0.7
138.05507	5.2
143.11934	0.6
144.06578	0.7
146.09236	0.8
147.04424	2.6
165.05467	13.5
168.06572	0.7
182.08121	11.1
204.08678	1.3
244.13394	1.9
259.31107	0.6
262.18076	1.1
272.12799	8.4
290.13864	27.8
292.09805	1.1
318.13370	7.5
320.09164	3.2
321.09872	2.2
336.08612	5.4
336.12482	6.6
336.17535	0.8
336.18262	0.8
336.21646	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	336.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10305	0.2
55.01890	0.5
55.05521	0.2
62.76254	0.2
63.01308	0.2
73.02912	0.3
83.69347	0.2
86.09725	0.3
87.04459	3.9
97.10170	0.3
103.89555	0.2
119.03526	0.3
120.08092	1.6
126.05489	0.6
129.26952	0.2
136.06189	100.0
137.04662	0.3
138.05499	2.1
148.74643	0.3
157.12224	3.8
171.73595	0.3
186.07602	0.4
193.01059	0.3
204.08638	1.1
205.85355	0.2
252.03683	0.2
280.00037	0.3
308.09293	0.3
320.08878	0.5
336.08871	4.7
336.12341	1.9
336.16565	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	336.1664
Annotation	Isopentenyl adenosine
Peak:m/z	Relative Intensity
51.15938	0.4
54.48728	0.5
55.01876	0.5
55.88128	0.4
56.19513	0.5
57.03431	1.1
61.25340	0.4
69.07070	4.3
69.62613	0.5
74.48576	0.5
85.02882	1.0
94.99517	0.6
102.09159	2.4
104.52992	0.5
136.06190	100.0
148.06183	43.5
148.07065	0.8
182.50490	0.5
204.12444	81.4
220.70761	0.6
292.09561	0.7
308.09195	1.1
320.09039	0.8
321.09988	0.7
336.08679	23.5
336.12326	3.4
336.16608	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	336.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	4.8
57.03440	2.2
62.61742	1.7
62.69467	2.7
67.05511	10.9
69.07079	19.6
69.07376	2.2
71.04991	8.4
76.02226	2.3
77.08372	2.1
79.05489	2.8
81.07062	53.6
83.04979	3.2
83.08630	16.3
85.06568	20.2
91.05487	9.0
93.07057	14.3
94.49998	2.4
95.08609	89.4
97.06530	24.9
97.10172	8.2
99.08095	12.1
105.00109	2.9
105.07006	15.8
106.73591	2.0
107.08615	3.7
109.10156	4.4
119.08589	33.6
121.10130	13.9
122.02715	9.7
123.08067	4.1
131.53311	1.9
133.10132	27.3
135.11723	23.6
137.13246	22.2
140.77579	1.9
149.13193	2.3
161.13252	100.0
172.01007	2.4
179.14308	51.1
197.15369	46.4
215.16444	20.2
247.13559	2.4
273.15137	4.4
313.04965	2.3
319.15707	41.7
321.09900	10.3
336.08575	4.1
336.12201	12.2
336.18332	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	336.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
60.25597	0.6
61.16106	0.6
65.04520	0.6
69.07056	3.9
75.05603	21.7
79.48241	0.6
81.07031	0.7
86.09706	69.0
89.66142	0.6
92.20991	0.7
115.43555	0.8
120.08102	41.6
131.04893	0.9
138.05482	1.0
143.11795	100.0
149.06026	0.9
150.88268	0.8
166.08623	28.8
171.11278	28.7
290.08209	0.8
292.09619	5.4
293.06757	1.0
304.09888	0.9
306.07748	0.7
308.09119	3.8
308.12549	1.3
318.07541	1.0
320.09198	14.3
321.10034	6.4
328.10846	0.8
336.08582	49.0
336.12354	56.3
336.18842	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	336.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85773	0.4
63.89317	0.4
85.02898	1.2
86.09707	90.3
102.09184	1.1
120.08099	100.0
122.47466	0.5
131.04913	1.0
132.10202	2.7
138.05629	0.6
139.13152	0.6
143.11795	70.5
150.82822	0.5
156.13820	1.2
164.80914	0.5
166.08626	28.4
171.11275	22.9
177.10219	25.8
202.70947	0.6
205.07651	0.7
205.09682	12.2
292.09631	2.8
292.19650	0.6
318.17880	0.7
320.09146	2.9
321.09866	3.0
336.08548	8.1
336.12332	10.8
336.19110	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	336.1915
Annotation	Phe Gly Ile
Peak:m/z	Relative Intensity
50.38372	0.2
50.94638	0.2
60.97124	0.2
61.06141	0.2
61.10050	0.2
64.85623	0.3
69.82766	0.2
86.09705	28.7
92.20867	0.4
97.51067	0.2
103.05466	0.6
120.08099	100.0
132.10211	5.8
133.18790	0.2
138.05531	0.3
139.87717	0.2
143.11798	15.7
164.28218	0.3
166.08617	7.0
171.11255	4.5
177.10222	41.2
205.09718	17.8
279.16992	0.6
307.73404	0.3
321.10028	0.5
336.08664	3.3
336.12473	1.5
336.19153	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	336.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94446	0.6
55.05512	3.8
55.89763	0.7
61.23294	0.6
70.03005	0.6
70.06597	0.9
72.08159	93.2
83.23777	0.7
86.09712	12.0
92.01537	0.9
100.07609	0.9
104.54438	0.7
105.63805	0.8
120.08107	100.0
136.06183	0.8
143.11806	45.4
166.08640	12.4
171.11293	27.8
189.12360	1.6
197.01248	3.1
206.11894	0.7
215.02214	1.0
219.14926	20.6
223.10889	1.2
233.16512	3.7
247.14415	15.9
261.16025	3.1
293.06677	0.9
308.09219	1.6
336.08661	43.2
336.12158	2.9
336.19186	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	336.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.1
57.07082	0.5
61.02932	0.4
62.40384	0.4
69.03436	3.3
69.29368	0.4
72.04519	66.3
72.08161	0.7
73.02930	0.6
81.03433	1.9
83.70577	0.4
85.02911	14.2
85.03432	0.5
86.09715	3.3
87.04439	0.5
91.04000	0.5
95.64424	0.4
97.02892	2.9
99.04438	0.7
99.53442	0.4
102.09188	5.7
109.02866	2.2
114.09166	38.9
127.03919	2.7
128.14362	2.0
145.04909	0.8
146.15416	5.2
156.13838	100.0
174.14890	89.7
191.62000	0.4
293.06854	0.7
308.09055	1.1
320.09045	2.0
336.08688	19.9
336.12265	3.8
336.15686	0.8
336.20105	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	336.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64337	0.6
55.05509	1.2
57.07083	1.2
58.66354	0.7
69.03436	3.4
70.06578	1.3
72.04521	64.7
72.08143	1.6
74.79511	0.7
81.03436	1.1
81.07057	1.8
84.08121	1.1
85.02905	12.5
86.09705	4.5
91.05496	1.1
93.07040	0.9
97.02886	3.3
99.04469	0.9
102.09165	5.8
104.49657	0.7
109.02868	0.9
109.06532	1.8
114.09165	37.3
119.04922	0.9
120.08106	4.2
127.03903	0.8
128.14360	3.6
130.06534	1.1
135.53510	0.8
136.07590	19.7
137.05992	5.8
144.52490	0.9
146.15399	4.2
156.13841	100.0
159.09160	1.0
165.05478	1.8
174.14888	96.2
182.08127	3.2
188.07057	0.9
198.11342	1.0
227.08092	1.0
245.09218	1.3
272.12811	1.1
290.13757	5.6
291.09549	1.4
292.09616	1.9
293.06763	2.0
306.07462	1.7
308.09128	4.4
318.07642	3.2
320.09238	3.3
321.06314	1.0
321.09808	4.6
336.08588	63.7
336.11804	25.5
336.19751	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	336.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23794	0.7
67.05502	3.0
69.07071	1.0
79.05503	0.9
81.07056	4.6
93.07040	3.6
95.08602	4.7
98.21124	0.7
107.08583	1.5
121.10152	4.2
135.11647	1.2
138.05507	1.7
138.17653	0.7
138.83025	0.8
148.11154	1.1
166.74586	0.8
194.11769	4.7
235.60448	0.9
275.09476	0.8
278.08102	1.2
292.09656	18.8
300.11249	0.8
304.09818	1.5
306.07620	4.2
308.12860	1.2
319.26260	3.7
320.09152	33.2
321.09964	23.7
336.08936	4.7
336.12289	100.0
336.22562	8.5
336.25717	4.0
336.29181	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	336.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05524	2.5
82.95699	2.3
84.29003	2.3
95.08570	2.8
114.72128	2.3
128.79660	2.5
149.19130	2.9
154.64034	2.4
189.54988	2.3
245.81836	2.8
292.09628	27.5
306.07596	4.9
320.09204	34.7
321.09891	32.8
336.12283	100.0
336.22906	87.6
336.26471	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	336.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37223	2.5
60.49839	2.8
91.80959	2.5
95.08582	2.8
141.28850	3.4
154.95828	2.4
159.44246	3.0
259.13956	3.1
292.09637	23.8
304.09930	3.6
320.09213	29.6
321.09943	35.6
336.08759	6.1
336.12265	100.0
336.22937	70.9
336.26529	5.2
341.92706	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	336.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57738	3.6
67.05511	6.7
69.07068	8.0
81.07061	15.9
83.08597	6.6
90.32086	4.2
95.08612	15.3
95.09182	4.1
97.10168	4.6
109.10187	7.5
121.10152	3.9
123.11736	5.1
147.11699	4.8
149.66103	4.0
178.38814	4.0
263.23724	7.3
280.26294	17.2
292.09631	22.4
306.07681	5.1
320.09167	30.9
321.09866	44.8
336.08560	7.4
336.12253	100.0
336.22809	97.7
336.29013	5.4
340.43796	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	336.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.7
56.26681	2.6
56.64598	3.0
59.90541	2.8
66.49170	3.5
67.05513	7.6
71.07076	3.0
77.17068	3.2
81.07055	8.6
93.07070	3.2
107.08579	4.2
120.42559	3.7
159.11061	3.4
169.42235	3.3
174.00563	5.8
188.02129	3.7
190.61331	4.0
267.31677	3.6
292.09567	27.9
306.07513	6.7
320.09088	29.6
321.09958	31.8
327.47855	3.8
336.12317	100.0
336.23022	65.6
336.25934	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	336.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84375	0.9
56.03306	1.1
57.03438	1.3
66.05076	1.0
67.64942	1.2
73.02905	6.7
84.04506	4.3
84.30298	1.1
89.32466	1.3
90.31417	0.9
98.06036	1.5
103.65816	1.2
126.05518	11.3
130.22639	1.1
138.05519	33.1
144.06535	8.1
168.06555	5.8
186.07652	5.1
201.94122	1.2
204.08702	13.8
276.86493	1.1
292.09653	18.8
304.09689	5.1
305.11703	2.3
306.07678	4.3
320.09186	24.7
321.09970	25.2
336.12308	76.4
336.25070	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76432	0.7
51.97552	0.6
55.64878	0.7
57.03436	1.0
61.07683	0.7
62.06095	15.5
67.05505	1.3
79.05461	1.3
81.07053	1.5
92.21175	3.2
93.07048	1.4
95.08585	1.5
98.26492	0.8
105.07018	0.9
107.08609	1.4
109.10134	1.0
119.08584	1.8
133.10104	1.0
134.58444	1.0
139.58286	0.9
145.10092	1.3
147.11646	0.9
159.11880	1.0
185.13269	1.1
246.77280	1.0
262.21616	0.8
275.09457	1.0
278.08368	0.9
280.22861	1.1
292.09653	28.5
297.96130	0.9
304.09479	6.1
306.07602	9.8
318.24170	8.4
319.24002	1.0
320.09183	33.1
321.09958	37.2
336.09286	3.6
336.12289	100.0
336.25082	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	336.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28950	0.5
51.72670	0.6
55.05526	0.8
57.07076	0.9
67.05504	1.2
69.07063	3.9
71.08632	10.3
72.04519	12.0
79.05487	0.8
81.07054	4.9
93.07027	3.7
95.08598	3.9
99.08096	6.5
107.08612	3.3
109.10169	1.5
114.09138	1.8
121.10161	0.7
128.10718	3.4
133.10115	1.3
165.12714	6.7
167.14323	0.7
168.13844	1.1
175.14853	1.3
180.83971	0.8
193.15733	0.8
235.17029	0.9
238.21648	8.3
291.23145	6.8
320.09009	0.8
336.12271	1.1
336.28952	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	336.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.7
57.07083	1.2
64.02721	1.0
67.05515	2.0
67.43133	0.9
69.07070	7.7
71.08636	15.8
72.04503	4.5
79.05508	1.7
81.07070	7.4
83.08607	5.3
93.07038	6.5
95.08610	8.6
97.06559	1.3
97.10168	2.2
97.95251	1.0
99.08115	9.3
104.62040	1.0
105.07030	1.3
107.08608	5.0
109.06522	2.1
109.10146	4.7
114.09171	1.6
119.08630	1.8
121.10136	1.6
133.10104	1.3
135.11673	1.8
138.12766	1.6
145.66074	1.1
147.11687	1.3
149.13226	1.3
159.11629	1.2
165.12730	12.3
175.14854	2.2
184.79376	1.2
193.15796	1.5
212.16560	1.5
238.21623	6.8
278.07983	1.4
291.23181	12.4
292.09717	12.5
304.09656	1.4
306.07816	2.2
320.09198	14.1
321.09924	12.6
336.08752	2.2
336.12277	37.5
336.28955	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	336.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03994	2.2
55.05525	31.4
57.03444	3.2
57.07077	13.9
57.68516	2.1
67.05507	33.2
69.07073	65.3
69.92215	2.8
71.08624	11.7
72.04513	4.2
79.05500	12.3
81.07053	69.5
83.08625	42.3
85.06539	4.9
86.06076	3.9
91.05487	3.6
93.07044	18.0
95.08611	61.3
97.06535	6.4
97.10168	38.8
100.07616	11.3
104.80563	3.4
105.07035	13.4
107.08602	14.1
109.10172	39.0
111.08076	4.8
111.11706	6.3
114.09201	6.9
119.08581	13.3
121.10135	20.9
123.11699	15.3
128.10701	4.6
133.10147	6.8
135.11684	17.7
137.13239	6.5
147.11667	5.5
149.13219	12.7
161.13290	5.2
165.12733	3.6
170.15471	2.8
175.14760	4.3
180.17416	5.1
189.16318	3.0
220.17020	3.6
238.21581	5.2
252.69193	3.3
288.55856	3.6
292.09677	5.1
301.28940	17.4
306.07599	4.9
319.29980	58.6
320.09048	13.3
321.09937	4.7
336.12280	52.5
336.25046	26.6
336.28992	31.3
336.32581	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	336.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	1.3
53.38522	1.2
54.33418	1.3
55.05518	26.4
57.03444	2.8
57.06857	1.4
57.07083	23.5
63.84181	1.5
66.76885	1.2
67.05182	3.0
67.05508	48.7
67.74812	1.7
69.03420	1.3
69.06698	2.7
69.07067	64.3
70.06563	2.3
71.08617	9.9
72.08150	1.4
79.05505	12.4
81.07062	76.9
82.09051	2.1
83.04980	2.7
83.08623	55.2
85.10175	6.3
86.06053	3.5
91.05465	6.7
93.07044	17.8
95.08607	74.0
97.06509	9.8
97.10178	36.9
100.07615	10.3
105.07034	11.6
107.08594	12.2
109.10159	45.6
111.08088	8.3
111.11738	10.3
114.09158	12.9
119.08567	14.7
121.10137	15.7
123.08074	3.2
123.11695	17.7
125.09620	2.9
125.13283	2.4
128.10716	6.3
133.10130	17.1
135.11662	17.8
137.13251	6.2
142.12320	2.3
147.11690	11.4
149.13248	7.9
151.11134	1.8
151.14867	2.4
155.25876	1.5
156.13817	2.5
161.13268	6.4
163.14850	1.9
165.12619	1.9
165.16365	2.9
175.14853	3.2
177.16408	1.8
189.16443	2.7
203.17964	1.8
205.19543	2.0
221.22630	1.6
226.21646	1.8
240.23090	1.8
255.32538	1.5
292.09644	20.8
301.28894	26.5
304.09854	6.5
306.07565	7.6
319.29977	65.7
320.09177	29.5
321.09976	27.3
336.12274	87.2
336.26291	28.6
336.32559	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02011	1.9
55.05519	30.6
57.07081	22.4
57.75212	1.8
61.29432	2.3
67.01620	2.0
67.05514	40.5
67.51390	1.9
69.07070	62.7
71.08629	14.5
72.83410	2.1
79.05511	4.8
81.07066	63.3
83.08621	60.4
85.10217	3.7
86.06070	5.6
93.07045	15.4
93.99194	2.4
95.08611	65.8
95.19574	2.2
97.06531	9.5
97.10165	34.0
100.07603	13.3
105.07021	10.4
106.17898	2.7
107.08594	12.7
109.10174	43.8
111.08077	4.3
111.11708	11.0
114.09164	9.8
116.11261	2.3
119.08585	9.8
121.10159	20.3
123.11684	18.1
125.09697	2.6
128.10669	5.7
133.10127	15.6
135.11720	12.0
137.09659	3.3
137.13235	4.6
139.11104	2.6
142.12289	3.2
147.11710	14.5
149.13289	10.1
151.14731	4.0
161.13211	5.1
165.16423	2.5
170.15297	2.4
175.14903	3.3
184.16969	2.5
198.18776	2.6
254.24866	2.5
292.09720	3.2
301.28882	27.0
319.29956	60.4
320.09103	4.8
321.09991	9.1
331.82565	2.4
336.12366	26.0
336.32596	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.2
56.34917	1.1
57.03438	2.0
58.46906	1.2
60.04523	1.5
61.61771	1.2
64.26488	1.0
66.51298	1.0
69.03421	2.7
70.06585	8.4
70.95856	1.2
71.44373	1.2
72.08154	1.8
72.93790	2.5
73.02933	1.8
81.03434	1.5
82.29802	1.2
83.04990	1.8
83.32153	1.1
84.04492	1.7
84.08131	5.6
85.02895	8.7
86.06068	1.7
86.09692	5.3
90.05562	1.3
90.94823	1.3
97.02876	12.3
99.04418	1.7
104.96392	1.9
108.95870	1.5
109.02850	11.1
109.10069	1.2
110.07134	1.4
112.05096	1.6
112.64745	1.2
114.94794	2.9
116.96323	2.0
120.08081	1.3
121.00790	2.2
126.98460	1.7
127.03944	10.2
129.10204	2.7
132.95836	81.3
133.00430	1.2
139.07532	3.0
140.07109	1.9
144.95822	28.4
145.04964	2.4
146.06065	1.2
146.30502	1.1
150.96869	32.9
158.97398	29.3
162.96895	18.8
164.06923	1.7
166.97864	3.1
168.95808	7.0
170.97389	7.6
174.96878	100.0
175.00436	2.1
176.98466	7.7
186.96877	60.2
187.01826	2.4
188.98477	6.9
192.97871	23.7
192.99306	1.8
193.01616	1.6
198.96877	40.0
200.98457	1.5
204.97981	12.0
210.96918	11.9
216.97961	32.5
217.01424	13.7
219.98280	1.4
226.06508	5.4
228.97963	3.0
234.98993	48.5
240.97858	2.5
247.02470	2.0
258.98926	4.8
274.10571	1.5
277.00229	17.5
277.03400	14.9
295.04816	18.8
301.11826	2.7
319.12845	9.9
337.05664	51.2
337.10443	4.8
337.14655	10.1
337.19379	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	337.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
61.24660	1.3
79.88372	1.3
80.07902	1.3
87.35974	1.4
105.04865	1.4
105.05782	1.4
114.04683	1.5
119.01887	1.6
133.03432	5.7
143.01886	1.9
145.03404	2.6
151.04570	2.1
152.61632	1.5
155.01755	2.0
157.03415	6.5
161.02963	3.1
161.17361	1.7
175.04443	6.7
185.02910	2.8
187.04410	2.1
201.06253	2.1
205.08147	6.8
211.04584	3.7
217.01884	2.8
250.91907	2.5
277.07520	9.4
295.08719	26.9
337.08896	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60579	1.2
82.94291	1.2
85.02893	2.9
93.30291	1.2
94.04238	1.4
98.97569	2.8
131.00206	1.8
149.01149	1.9
166.21280	1.2
167.47591	1.3
178.05066	1.4
205.08144	2.9
212.67621	1.4
219.01811	2.5
237.02748	2.4
244.45386	1.4
290.16156	1.4
295.06555	2.0
337.08914	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48205	1.1
63.32649	1.1
65.85727	1.1
94.93025	2.6
111.92399	1.4
118.66946	1.3
122.95036	1.4
157.03458	2.6
175.04510	1.6
185.02882	1.5
222.93144	1.5
277.07602	7.7
295.08673	18.0
337.08914	100.0
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
56.61190	0.4
59.90569	0.4
63.33226	0.5
70.17851	0.4
72.43803	0.4
78.90456	0.5
94.02622	0.5
124.90698	0.4
190.68320	0.5
211.08496	0.5
248.84561	0.5
250.76651	0.6
276.09686	0.7
279.08362	0.6
292.09656	3.5
293.10007	26.7
305.09991	5.8
306.07745	0.5
307.07993	8.3
320.09222	1.9
321.09540	33.2
322.10275	35.4
327.63995	0.6
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	337.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
68.04372	1.2
72.78179	1.1
85.02919	3.1
97.02939	1.8
101.02377	2.9
118.06558	11.7
120.08079	7.0
124.03982	2.3
130.06537	29.6
132.06554	2.3
132.08098	28.9
136.07613	1.5
140.08305	1.2
142.04987	26.4
143.07335	1.4
144.06429	1.7
144.08092	31.9
146.06012	79.9
146.07181	3.0
156.08093	27.5
158.09657	2.7
159.09178	3.0
160.07513	5.2
168.08102	21.9
170.05988	11.0
171.09131	1.7
172.06129	2.2
173.06982	1.5
178.05840	1.6
180.08072	1.8
182.09720	5.2
182.45135	1.3
183.09149	16.3
184.07587	6.5
186.09155	5.3
187.50607	1.3
188.05522	17.9
188.07060	100.0
193.29906	1.3
196.07675	1.9
198.09177	2.8
202.08635	13.9
205.09737	2.2
210.09160	7.9
212.07022	5.6
213.10191	1.7
214.08559	2.6
220.07796	1.7
228.10104	7.6
229.09740	49.9
241.09372	1.9
244.09734	1.5
246.11208	8.8
255.11247	1.6
259.10849	2.8
271.10663	3.0
273.12305	9.1
283.10687	2.5
284.09204	2.7
291.13425	3.0
301.11841	22.5
302.10281	26.3
319.12866	64.4
337.14038	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	337.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.7
55.05519	4.8
56.49913	1.8
62.18279	1.8
67.05510	14.5
69.03435	2.7
69.07067	4.9
75.91649	1.9
75.92578	1.8
79.05495	8.1
81.03435	25.2
81.07069	31.8
83.04982	4.0
83.08628	3.3
85.06554	2.4
91.05484	13.0
93.07037	4.6
95.08609	14.1
97.02892	3.3
97.06564	3.6
99.04464	2.3
105.07057	16.1
107.08595	3.9
109.02894	32.8
109.06519	2.9
110.03725	2.0
119.08610	15.8
121.10118	8.9
123.04436	11.9
123.11703	11.1
127.03937	27.1
131.08591	2.5
133.10187	4.4
147.11708	25.9
149.06013	3.1
157.10211	2.0
165.12691	15.5
193.12259	3.7
229.14430	2.4
242.17595	2.5
291.15842	3.6
292.09744	2.8
293.10086	25.2
305.09940	3.6
307.07730	3.9
307.69028	2.1
319.15378	7.2
321.09555	35.1
321.60095	2.3
322.10272	37.5
337.12601	100.0
337.16461	93.6
337.19843	8.6
337.25250	12.0
337.63000	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	337.2006
Annotation	Smardaesidin G
Peak:m/z	Relative Intensity
55.01873	2.9
55.05523	20.6
56.80326	1.8
57.03446	12.4
57.07087	20.2
63.11182	1.9
67.05505	15.7
69.03427	12.2
69.07073	15.5
71.01350	2.0
71.05001	8.4
73.02919	10.0
73.06557	2.7
79.05508	31.0
81.07073	37.8
83.08624	4.4
85.02896	10.4
85.06572	23.5
87.04485	2.7
87.18226	2.0
91.05479	8.8
93.07028	20.0
95.04991	1.9
95.08591	12.3
97.06529	8.4
99.04430	3.6
99.08138	2.5
103.03957	8.4
103.07560	2.2
107.08607	11.1
109.06534	21.8
111.04437	10.0
111.08073	33.5
115.03909	2.5
115.07605	2.2
117.06986	2.1
121.10149	2.1
123.08045	4.0
123.57775	2.0
125.09625	4.0
127.07534	13.1
129.05418	2.9
129.09111	4.1
133.10123	37.4
149.09624	100.0
153.09135	20.0
171.10156	36.1
189.11215	18.7
293.10141	2.8
321.09378	3.0
337.12616	11.1
337.19394	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	337.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.9
55.05523	20.6
56.80326	1.8
57.03446	12.4
57.07087	20.2
63.11182	1.9
67.05505	15.7
69.03427	12.2
69.07073	15.5
71.01350	2.0
71.05001	8.4
73.02919	10.0
73.06557	2.7
79.05508	31.0
81.07073	37.8
83.08624	4.4
85.02896	10.4
85.06572	23.5
87.04485	2.7
87.18226	2.0
91.05479	8.8
93.07028	20.0
95.04991	1.9
95.08591	12.3
97.06529	8.4
99.04430	3.6
99.08138	2.5
103.03957	8.4
103.07560	2.2
107.08607	11.1
109.06534	21.8
111.04437	10.0
111.08073	33.5
115.03909	2.5
115.07605	2.2
117.06986	2.1
121.10149	2.1
123.08045	4.0
123.57775	2.0
125.09625	4.0
127.07534	13.1
129.05418	2.9
129.09111	4.1
133.10123	37.4
149.09624	100.0
153.09135	20.0
171.10156	36.1
189.11215	18.7
293.10141	2.8
321.09378	3.0
337.12616	11.1
337.19394	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	337.2735
Annotation	2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta,17beta-diol
Peak:m/z	Relative Intensity
53.03957	0.7
55.01873	0.5
55.05519	16.0
57.03442	10.5
57.07070	3.4
64.88732	0.5
66.31380	0.5
67.05509	35.4
69.06701	1.0
69.07071	22.9
71.04991	0.8
72.29070	0.7
74.46833	0.6
79.05500	6.7
79.94622	0.6
81.07059	38.3
83.04977	1.1
83.08620	14.2
83.62080	0.6
85.06554	1.0
90.27416	0.6
91.05466	4.1
93.07038	9.1
95.08606	31.6
97.06536	1.3
97.10151	6.2
105.06998	3.2
107.08578	5.5
109.06523	0.8
109.10163	12.7
111.08088	2.8
111.11749	0.7
114.28888	0.5
119.08562	4.0
121.10132	4.1
123.08036	0.8
123.11692	6.0
133.10120	4.8
135.11661	3.1
147.11684	0.9
149.09599	2.8
151.14803	0.7
161.13266	1.2
166.31688	0.6
171.10092	0.9
175.14822	1.1
175.72556	0.6
244.15294	0.6
245.22687	1.4
245.25552	0.6
263.23636	1.4
293.09998	1.3
316.86746	0.6
320.22357	0.8
321.09607	1.0
322.10132	1.4
337.12540	5.4
337.27353	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1022
Annotation	Atheroline
Peak:m/z	Relative Intensity
72.04528	0.6
74.06085	0.3
76.05157	0.5
81.03441	0.4
83.46154	0.4
84.08149	0.5
86.09737	1.6
97.37994	0.4
116.08286	0.3
120.08113	0.5
136.07613	0.7
142.82732	0.4
151.20625	0.3
152.05687	0.7
177.09857	0.4
197.12642	0.4
197.14256	0.4
292.15854	0.4
294.07877	0.4
294.11316	0.5
295.08612	0.7
305.06818	1.8
306.17007	0.4
323.07877	100.0
338.10211	77.7
338.19308	2.8
338.23740	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	338.1021
Annotation	Atheroline
Peak:m/z	Relative Intensity
53.19228	0.2
64.76417	0.2
74.30077	0.2
76.05128	0.2
79.02604	0.2
79.77450	0.2
112.07615	0.4
120.08122	0.2
125.59314	0.2
136.06186	1.3
136.51605	0.2
210.87311	0.2
210.98357	0.2
268.10068	0.2
277.07364	0.3
278.08099	1.1
281.06604	0.2
292.09674	0.2
295.08472	1.8
296.09067	0.4
305.06970	0.5
306.07596	5.6
306.10974	0.3
308.09128	0.4
310.10782	1.5
320.05569	0.5
320.09164	3.8
323.07883	24.8
336.08612	0.3
338.10211	100.0
362.44833	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	338.1024
Annotation	Atheroline
Peak:m/z	Relative Intensity
51.28481	0.6
52.72289	0.6
56.05017	0.8
60.05647	1.3
61.73071	0.7
70.06585	4.4
72.04523	1.4
76.05129	6.2
76.38654	0.6
84.04529	1.2
84.08128	1.0
86.09718	3.0
109.85332	0.7
117.24913	0.7
120.08115	3.2
130.06519	4.7
131.27466	0.8
136.06226	1.1
137.03435	0.7
138.40967	0.7
159.09213	1.4
160.07210	0.9
177.09860	3.6
198.41429	0.7
226.69940	0.9
277.07095	1.0
294.07605	7.0
294.10645	0.9
295.08499	3.1
309.06540	0.8
310.10699	18.6
312.20215	0.9
314.34937	0.9
322.07120	15.7
322.10611	1.0
323.07971	12.3
338.10205	100.0
338.17755	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	338.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68615	0.3
62.09615	0.3
65.41792	0.3
121.93256	0.4
167.94136	0.4
179.48689	0.4
212.89859	0.5
277.10025	0.5
280.08713	0.6
292.09613	1.9
293.09882	4.2
294.10257	21.4
306.10236	4.5
307.08026	0.6
308.08163	9.3
321.09451	1.9
322.09790	34.1
323.10541	35.3
338.12897	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	338.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.46986	0.4
60.83508	0.3
63.97894	0.4
64.10455	0.4
75.97290	0.3
88.74494	0.4
92.21005	0.5
134.03255	0.4
177.02234	0.4
183.40515	0.5
190.93091	0.5
273.49512	0.4
280.08774	0.8
292.09824	1.6
293.09857	4.8
294.10263	22.9
306.10229	5.4
307.07907	0.9
308.08182	8.8
312.28467	0.5
321.09610	2.9
322.09793	34.2
323.10544	35.3
338.12894	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27130	0.4
62.06085	1.7
74.66454	0.6
116.53078	0.5
277.10202	0.7
280.09177	0.5
292.09656	2.3
293.09973	4.7
294.10284	22.6
306.10345	4.6
307.08063	1.0
308.08228	9.8
319.56976	0.5
320.19748	0.6
321.09543	1.1
322.09814	36.5
323.10577	37.1
338.12903	100.0
358.49905	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
69.95232	0.4
72.27234	0.4
73.14404	0.4
85.04356	0.4
110.05796	0.4
112.91788	0.4
113.53400	0.5
133.51881	0.5
181.61086	0.4
196.49931	0.5
279.08890	2.2
280.09619	1.1
293.10281	0.7
294.11230	25.4
306.07614	0.6
306.11188	6.0
307.08411	0.8
308.09149	13.1
308.12079	0.6
322.10739	35.9
323.11505	42.4
323.97595	0.6
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	Ficine
Peak:m/z	Relative Intensity
58.85878	0.5
61.24429	0.5
70.85340	0.6
87.27542	0.4
112.45396	0.5
154.83839	0.6
191.22366	0.5
202.27936	0.6
217.78436	0.6
277.11084	0.7
279.08954	1.1
280.09674	2.2
286.17120	0.6
293.10675	0.8
294.11240	24.7
306.11099	4.3
308.09213	12.1
322.10696	30.1
323.11514	41.9
338.13824	100.0
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
51.11434	0.2
72.96401	0.2
136.11003	0.2
141.26666	0.2
145.08565	0.2
148.71233	0.2
159.09323	0.2
188.92514	0.6
216.95509	0.4
230.93549	1.0
246.96895	0.2
277.10956	1.4
279.08981	2.5
280.09637	1.6
293.10437	0.5
294.11249	28.7
297.01883	0.5
306.11255	6.4
307.08475	0.6
308.09186	13.1
309.09967	0.4
315.02878	0.5
320.09244	0.3
322.10733	32.7
323.11520	49.1
336.12787	0.3
338.13858	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	338.1383
Annotation	Ficine
Peak:m/z	Relative Intensity
52.16783	0.5
72.56561	0.5
129.01047	0.6
132.35495	0.6
166.08543	0.7
184.41878	0.6
245.21442	0.5
250.92863	0.6
259.86414	0.6
277.11020	0.9
279.09073	1.1
280.09616	1.1
294.11246	29.7
306.11130	7.2
308.09177	15.7
310.04480	0.7
322.06802	1.1
322.07938	0.8
322.10715	36.7
323.11548	43.3
338.13846	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68422	0.3
56.05032	0.5
57.03441	0.4
74.06075	1.7
77.95201	0.4
86.09721	0.8
102.05521	0.6
120.06631	3.6
120.08106	100.0
121.08444	0.9
123.08123	0.5
123.26359	0.4
127.05045	0.5
128.03477	0.6
130.05031	2.9
133.08438	0.6
141.09099	0.7
146.06046	1.5
147.06323	2.4
157.08327	0.4
158.06093	0.5
159.06406	0.5
166.08667	0.9
169.08374	0.9
174.03998	2.5
188.05539	0.5
188.07051	0.9
189.07408	2.4
191.10091	0.7
191.11812	21.6
201.08727	0.6
219.11284	15.6
221.12872	0.5
230.10083	2.0
236.99388	0.4
249.12360	3.9
267.13373	2.2
272.10788	0.4
289.60876	0.4
294.45154	0.4
302.12027	1.5
302.55740	0.5
303.10590	1.6
320.13019	2.7
320.16080	10.4
328.67212	0.4
338.13925	2.1
338.17535	0.7
363.65814	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	338.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33452	0.4
55.04962	0.3
55.05511	0.7
56.05043	0.7
56.20609	0.4
56.79040	0.4
62.21815	0.4
70.06570	1.0
71.57099	0.4
72.08160	11.3
74.06081	3.2
84.04503	1.9
84.08138	0.8
86.09696	2.2
91.05448	1.8
95.75476	0.4
99.65469	0.4
101.07136	3.2
116.07158	1.3
118.08669	4.2
119.04936	2.0
120.08107	14.4
129.10236	0.8
136.07579	100.0
141.09128	0.6
146.05957	0.8
147.06349	0.7
148.07542	0.6
156.07646	0.4
158.09630	0.9
159.39809	0.4
163.14610	0.4
166.08685	0.5
175.23753	0.5
176.10715	3.0
193.09723	42.3
221.09238	17.5
221.12761	10.7
230.10712	0.4
237.12346	0.7
239.43408	0.4
241.34200	0.5
249.12369	5.8
255.01677	0.5
281.14932	0.7
338.12903	2.5
338.17111	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	338.1805
Annotation	Kyotorphin
Peak:m/z	Relative Intensity
55.01882	1.1
55.05524	1.6
57.03429	2.4
58.03210	0.9
64.20679	0.9
67.05499	1.6
69.03423	1.9
74.82648	1.0
79.05478	4.7
81.03440	1.1
81.07063	100.0
85.02905	18.4
86.09703	1.7
95.08604	59.8
97.02875	4.7
99.04479	2.5
99.08093	86.1
105.07053	1.7
109.02897	1.2
115.40492	1.0
123.07183	2.4
123.08068	60.4
124.10133	1.1
127.03902	4.4
136.06189	1.4
137.75391	1.1
141.09109	71.1
159.10150	42.6
191.57741	1.0
247.24133	1.1
338.10419	5.4
338.20465	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	338.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.7
61.02942	0.7
63.90080	0.3
67.05508	0.4
69.03419	1.5
79.05496	2.1
81.03436	0.4
81.06616	0.7
81.07066	14.0
83.04996	0.5
83.08628	0.9
85.02911	9.8
85.06533	0.6
91.05486	0.5
95.08608	18.6
97.02881	2.3
97.06534	64.7
99.04427	0.5
99.08073	0.8
105.06992	0.6
109.02891	0.8
110.07176	1.4
111.08061	2.3
113.09633	0.5
120.08139	1.9
123.08073	32.2
126.65841	0.3
127.03913	0.9
136.07591	0.8
141.09109	100.0
145.04958	0.9
149.13620	0.4
159.10156	18.7
161.30670	0.4
176.07089	3.0
191.83621	0.4
256.11453	0.4
262.98254	0.4
282.23022	0.5
295.63651	0.4
308.59497	0.4
323.08035	0.4
338.10245	1.8
338.17102	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	338.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05534	0.7
57.62789	0.5
67.05507	1.0
69.07069	5.8
79.05488	0.6
81.07057	3.4
83.04984	3.2
86.09708	100.0
91.05478	3.5
93.07039	7.4
95.04984	2.1
95.08599	0.7
105.07046	6.0
107.08598	2.7
109.06532	5.1
109.10178	0.6
111.08074	2.5
116.04211	0.5
119.08577	2.6
128.10728	4.3
131.08582	3.3
133.10121	12.7
138.05647	0.5
146.11771	26.6
147.11697	10.1
149.09633	1.1
149.13280	0.7
151.07541	3.2
151.11182	28.8
165.12767	1.0
175.11162	3.5
189.12419	0.5
192.13835	0.7
193.12221	2.7
210.14896	1.1
222.14848	0.7
260.20239	3.7
270.78458	0.5
278.21149	22.8
306.20593	5.3
320.22272	4.4
320.25644	0.9
338.23196	41.4
338.26416	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	338.2655
Annotation	N-Oleoyl Glycine
Peak:m/z	Relative Intensity
57.07066	5.7
67.05502	2.1
69.07060	2.2
81.07039	2.0
91.05442	1.7
92.21254	2.7
93.63528	1.5
95.08595	5.7
109.89311	1.8
123.11715	1.5
127.11174	3.2
153.13876	3.9
218.07860	1.9
234.63957	1.8
249.70836	1.7
255.69756	1.6
294.11157	2.4
297.25867	7.1
323.11337	2.8
338.13599	6.1
338.26633	100.0
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
50.55307	0.6
51.17046	0.7
55.05499	1.3
57.48700	0.7
61.94570	0.7
62.32767	0.7
62.33075	0.8
62.38881	0.6
64.85274	0.8
67.05481	4.8
69.07063	2.7
69.42647	0.9
69.58472	0.7
71.08608	3.5
79.05468	1.0
81.07066	6.8
83.08626	1.8
92.21359	1.4
93.07030	1.8
95.08609	7.5
97.10142	1.0
99.08061	4.3
100.11259	12.2
105.07012	1.0
107.08566	3.6
109.10137	1.7
111.08007	0.8
121.10091	3.7
123.11732	0.9
125.09563	0.8
135.11653	4.1
135.59331	0.8
143.11778	1.0
152.14310	4.2
181.13284	4.6
181.16954	7.3
198.14853	1.9
224.17499	1.1
224.41437	0.8
261.21988	1.3
276.23163	4.3
278.24799	16.0
279.23248	3.2
293.25873	0.9
295.27408	15.2
304.22717	7.8
321.21967	1.1
321.25363	23.0
322.09903	1.1
338.13550	3.2
338.26892	100.0
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
63.89957	0.7
68.51979	0.7
69.07048	0.9
81.07035	1.3
95.08617	1.5
107.08566	1.8
128.14325	5.7
162.83690	1.0
170.11688	1.0
299.06714	1.0
321.24948	1.5
338.13568	1.6
338.26608	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2664
Annotation	N-Oleoyl Glycine
Peak:m/z	Relative Intensity
52.76744	0.5
54.20573	0.4
55.30547	0.4
58.45824	0.5
67.05541	0.6
79.05495	0.5
81.07047	0.9
93.07072	0.8
95.08624	0.9
107.08611	0.6
109.06490	0.5
114.20567	0.4
122.55769	0.5
156.17839	0.6
232.42839	0.5
255.77478	0.5
276.40149	0.5
278.24899	0.7
294.10947	0.5
295.27560	1.5
303.23407	0.6
304.22882	0.6
320.25793	1.0
321.25085	2.5
322.10632	0.8
323.11032	0.5
338.13626	2.8
338.26630	100.0
360.06647	0.6
362.58331	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	338.2663
Annotation	N-Oleoyl Glycine
Peak:m/z	Relative Intensity
58.89934	0.3
60.67552	0.4
62.06087	0.5
69.07052	0.4
73.59789	0.4
74.37965	0.4
84.80291	0.4
95.08656	0.5
95.98188	0.4
101.08543	0.4
121.10155	0.4
124.72986	0.4
137.56566	0.4
172.16328	0.4
182.15392	0.5
203.48749	0.4
210.72151	0.4
214.30316	0.4
276.23102	0.5
278.24725	0.8
294.11182	0.6
295.27420	2.3
304.13220	0.3
304.22589	0.7
308.09335	0.6
321.25348	2.9
322.10794	0.6
323.11365	1.9
334.12741	0.5
338.13715	4.5
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	N-Oleoyl Glycine
Peak:m/z	Relative Intensity
51.83478	1.0
56.20556	1.1
68.01279	1.0
69.09083	1.1
69.12680	1.0
84.36620	1.3
89.68014	1.1
94.09735	1.2
106.68166	1.3
181.14774	1.3
240.19536	1.3
263.26248	1.2
334.62482	1.5
338.13937	1.4
338.26657	100.0
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	N-Oleoyl Glycine
Peak:m/z	Relative Intensity
87.46519	0.6
172.07433	0.7
196.11787	0.6
262.15219	0.6
338.26633	100.0
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	N-Oleoyl Glycine
Peak:m/z	Relative Intensity
50.31741	0.4
50.56711	0.3
58.24186	0.3
62.36077	0.4
74.44598	0.4
78.54459	0.3
155.86388	0.4
172.84096	0.4
177.30183	0.4
239.95798	0.5
258.67657	0.7
279.98068	0.5
284.24396	0.5
338.26630	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	338.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87220	1.0
55.01875	1.4
55.05523	1.5
57.03445	1.5
57.07080	4.8
62.06096	90.7
62.06419	2.9
63.02743	1.0
67.05504	6.7
67.63560	0.9
69.07057	4.9
71.08353	1.1
71.08644	20.5
79.05492	7.3
81.07055	12.2
83.08633	2.1
85.10181	8.0
91.05479	5.2
93.07038	8.2
95.08614	12.1
97.10141	1.9
98.06057	2.8
99.08106	15.3
105.07036	6.2
107.04950	1.5
107.08607	6.1
109.10161	5.0
111.08073	2.8
113.09657	5.3
117.07024	1.5
119.08571	4.9
119.92355	1.2
121.10101	2.3
129.06990	1.2
133.10110	5.1
135.11726	2.1
145.10109	4.5
147.11670	2.2
149.09694	1.4
151.11211	1.9
161.13234	2.6
163.11179	4.7
165.12759	5.3
175.14828	2.0
179.14255	1.4
196.13306	7.8
208.16978	6.6
214.14372	7.1
222.18503	12.8
226.18053	6.4
240.19611	10.5
241.19405	1.4
259.20654	4.3
277.21704	5.2
294.11292	9.2
308.09186	6.8
320.25827	100.0
322.10785	12.1
323.11569	17.5
338.13824	34.5
338.20206	5.1
338.26883	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	338.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23182	1.2
53.00330	1.3
55.01870	1.3
55.05510	2.8
57.07090	1.7
62.06094	100.0
62.06418	3.7
67.05495	11.3
69.07064	2.7
71.08631	18.2
71.84459	1.5
79.05499	7.2
81.07055	9.7
83.08609	1.8
85.10197	3.8
91.05459	2.5
93.07035	8.4
93.25909	1.7
95.08593	9.2
97.10158	1.9
98.06021	2.1
99.08098	11.0
107.08581	7.4
109.10145	2.0
113.09573	2.7
119.08570	3.6
124.11166	2.8
133.10114	3.0
135.11649	2.3
135.18839	1.5
145.10118	3.2
147.11696	3.2
151.11162	3.6
157.10039	1.6
161.13246	2.7
165.12657	1.6
168.13849	2.2
175.14737	2.1
196.13361	12.4
208.16960	3.2
214.14372	13.3
222.18518	9.6
240.19655	3.6
266.23138	1.8
269.89594	1.7
277.21616	3.1
308.08624	2.1
320.25815	82.8
320.29605	2.7
322.10599	3.1
323.11490	7.7
334.22250	1.8
338.13614	23.4
338.26868	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	338.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97894	1.4
52.59542	1.1
55.05518	3.1
57.03426	2.1
57.07074	9.8
62.05797	2.4
62.06098	65.2
67.05509	10.7
69.07076	6.2
71.08633	21.9
71.51669	1.3
79.05502	6.0
81.07058	19.8
83.04994	2.2
83.08625	3.7
85.06547	6.6
91.05450	5.1
93.07021	10.8
95.04976	2.2
95.08598	15.6
99.08098	12.4
105.07024	7.5
107.08596	6.4
109.10173	2.1
119.08590	7.3
121.10114	6.6
124.68431	1.6
133.10109	3.6
135.11713	3.3
137.09613	40.0
141.09094	3.5
145.10117	3.0
147.11635	2.1
151.11151	6.1
159.11778	2.3
161.13200	5.3
163.11133	1.7
165.12663	1.3
173.91464	1.3
179.14278	7.1
219.17433	6.6
222.18529	14.0
240.19603	11.6
244.69618	1.6
259.20593	1.9
277.21768	2.6
282.09833	1.7
291.82813	1.5
303.23215	8.6
320.25815	100.0
321.24295	19.0
338.13882	2.2
338.22903	3.0
338.26889	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	338.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.5
56.98030	1.1
57.03440	9.3
62.06097	100.0
63.37914	1.4
67.05490	4.8
69.07072	1.5
79.05489	6.2
79.60386	1.7
81.07059	8.5
91.05477	2.6
93.05811	1.4
93.07028	12.2
94.46824	1.2
95.08620	8.8
95.55119	1.5
97.06522	2.0
105.07034	6.7
107.08597	9.5
109.10184	3.2
111.08059	1.8
111.16316	1.4
117.06969	1.4
119.08574	6.7
121.10113	10.4
123.08038	1.6
123.11652	1.5
133.10098	7.0
135.11705	6.7
142.74493	1.3
145.10143	2.1
145.42586	1.4
147.78423	1.8
159.11671	2.3
161.13290	2.3
192.64407	1.6
205.15698	1.5
264.23187	6.1
277.21619	2.0
280.22635	2.1
282.24295	5.7
320.25824	57.9
321.24289	3.1
326.39447	1.6
338.26886	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	338.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.7
62.06097	19.5
67.05490	4.6
69.07053	2.0
71.08612	4.0
73.06532	0.8
74.59077	0.8
77.89709	0.8
79.05466	1.2
81.07037	5.0
83.08591	1.2
91.05469	1.2
92.20945	1.2
93.07015	3.7
95.04958	1.2
95.08585	3.1
97.10126	1.2
99.08086	2.1
99.28344	0.8
105.07030	2.1
107.08564	4.8
109.10098	4.1
119.08588	1.6
121.10123	1.4
124.11201	1.8
133.10184	1.0
135.11646	1.4
158.10457	0.8
182.15312	1.0
196.13248	8.2
198.14903	8.7
209.16470	3.6
214.14343	6.6
222.18462	3.8
259.20532	1.1
261.06531	0.9
276.23071	1.0
278.24683	4.0
291.48804	0.9
294.10904	4.5
295.27386	7.7
303.23062	1.3
304.22513	3.5
306.11279	1.2
308.09128	1.3
320.25815	18.0
321.25357	12.0
322.10349	4.5
323.11484	7.2
329.30576	0.9
338.13654	19.2
338.26675	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.277
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16608	0.6
55.05526	10.6
55.33200	0.6
56.05849	2.9
56.69377	0.7
56.69711	0.7
57.03458	9.1
57.07080	1.7
58.03771	1.6
61.62626	0.7
67.05515	26.2
68.05840	8.8
69.07075	16.0
70.07398	4.9
71.05045	0.9
76.62683	0.8
76.67138	0.7
79.05510	6.6
80.05843	1.1
81.06618	1.5
81.07066	30.4
81.15337	0.6
82.07395	10.1
83.08628	10.0
84.08958	4.2
85.06538	0.9
91.05467	3.2
92.05812	1.0
93.07043	7.0
94.07400	2.7
95.08616	29.0
96.08937	10.9
97.06519	1.0
97.10162	4.4
98.06869	0.8
98.10502	1.7
105.07025	2.7
106.07336	1.1
107.08614	5.4
108.08921	1.4
109.10155	13.6
110.10512	6.5
111.11733	0.9
119.08562	1.1
120.08927	1.4
121.10164	5.2
122.10443	0.9
123.08077	0.7
123.11688	4.5
124.12044	4.2
129.16380	0.7
133.10117	3.1
134.10483	1.2
134.95456	0.7
135.11719	1.7
137.13300	1.3
147.11732	1.3
148.12027	1.2
150.13626	0.8
162.13562	1.5
178.94119	0.7
184.32126	0.8
186.27222	0.9
246.23022	1.7
264.24048	4.0
294.11127	0.8
321.24359	0.9
322.10638	3.2
323.11374	1.7
338.13953	9.2
338.27722	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15110	1.1
56.13870	1.4
56.95018	1.1
57.07087	45.2
61.04086	1.5
67.05520	11.3
69.07074	3.3
77.13067	1.4
79.05513	2.6
81.07076	11.5
83.04996	1.5
92.20944	1.6
93.07080	2.2
95.08622	8.7
97.06553	1.3
109.06676	1.6
109.10167	12.4
119.08613	5.7
119.30454	1.4
123.11726	1.4
127.11192	28.5
129.19673	1.6
135.11702	11.4
153.12766	3.7
153.13872	42.8
153.15019	2.1
154.12282	9.8
155.14386	1.5
169.12257	6.4
170.15425	2.6
171.15018	2.1
175.15210	1.4
179.80029	1.5
182.82832	1.3
196.14526	6.6
210.67264	1.3
261.22073	1.9
275.91019	1.4
278.24942	7.3
279.23386	9.4
294.11404	1.6
295.27521	3.2
296.26041	9.6
299.06378	2.1
304.22888	5.9
321.25314	17.4
322.11069	1.6
323.11581	2.0
338.13577	9.7
338.27856	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05535	1.4
57.07092	1.9
65.33984	1.3
67.05493	4.0
69.07087	2.4
71.08644	6.9
76.00556	1.2
79.05498	2.6
81.07056	9.1
83.08643	2.2
91.05511	1.3
93.07047	2.9
94.55700	1.2
95.08622	13.6
97.06541	1.3
98.29541	1.1
99.04838	1.2
99.08130	7.3
100.11292	5.7
105.07055	2.3
107.08610	1.7
109.10199	5.9
121.10167	2.8
133.53752	1.4
135.11746	2.5
147.11763	4.9
152.14391	1.6
181.13385	9.8
181.16975	16.9
182.15471	2.4
199.46854	1.2
224.17731	2.2
250.25467	2.2
261.22198	1.6
276.23331	5.2
278.24753	22.4
295.27411	23.7
295.30399	1.3
304.22705	13.2
321.25336	36.4
338.14255	1.4
338.28070	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	338.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80069	0.9
55.01865	1.8
55.05516	2.5
56.67060	1.0
57.03463	0.9
57.07093	1.2
60.05645	1.2
61.04062	1.3
62.63233	1.0
67.05509	12.3
69.07064	13.1
71.08622	1.3
78.61120	1.0
79.05511	5.8
81.07064	11.2
83.08630	8.3
88.11835	1.1
93.07082	7.9
95.08617	10.5
97.10146	5.7
107.08587	11.1
109.10144	9.1
115.10890	1.2
121.10177	5.0
124.11214	15.0
125.09647	5.9
128.14354	45.6
128.15291	2.3
131.08528	1.1
133.10098	1.8
135.08063	4.6
135.11697	7.3
137.09671	1.1
142.12167	1.5
145.10182	1.2
149.09665	1.1
151.11089	1.3
152.10754	1.4
153.09152	1.6
153.12750	12.0
170.11797	11.9
171.14911	6.2
173.13332	1.4
180.13916	1.1
222.26540	1.2
261.22171	1.4
276.23404	1.5
276.90845	1.0
278.24771	11.6
279.23245	5.2
279.95184	1.3
294.11127	2.1
295.27481	9.4
296.25751	2.0
304.22702	2.2
320.25839	1.4
321.25388	14.0
322.10458	1.3
338.13818	4.2
338.27307	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	338.28
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98264	0.5
55.05519	1.1
57.13415	0.5
62.06104	1.0
67.05502	3.6
67.54971	0.6
69.07076	2.3
69.07439	0.7
70.06607	0.6
79.05492	0.8
81.07045	5.1
81.93073	0.6
83.08610	0.9
91.05481	0.9
93.07045	3.5
95.08595	5.2
107.08594	3.5
109.10172	2.5
111.05604	0.7
111.11675	0.6
115.39417	0.6
121.10125	2.8
123.08025	0.7
131.08611	0.6
135.11720	1.5
149.13351	0.7
152.14404	0.8
168.13879	0.8
168.17436	0.8
182.11716	0.9
182.15422	6.0
191.16389	0.7
196.13301	0.6
196.16953	0.6
204.47865	0.6
209.16507	3.2
220.17055	0.7
250.25409	1.3
260.23782	1.3
261.22256	1.0
276.23114	4.4
278.24808	18.3
286.21646	0.7
287.53690	0.7
294.10959	0.7
295.27457	27.3
304.22739	12.6
311.68869	0.8
320.25830	2.5
321.25378	34.8
322.10608	2.9
323.11401	0.8
326.39423	0.7
338.13733	5.4
338.27368	100.0
338.73444	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	338.3414
Annotation	CHEBI:69545
Peak:m/z	Relative Intensity
55.05521	15.5
57.07080	25.1
63.48496	1.7
64.21462	2.0
67.05501	8.6
69.07068	34.4
71.08627	17.1
81.07071	15.5
83.08619	35.2
85.10192	10.0
88.11569	2.1
93.07034	4.0
95.08624	17.2
97.06523	11.6
97.10180	29.2
100.07622	4.6
107.08604	10.3
109.10170	10.7
110.16454	2.0
111.08083	8.2
111.11713	8.3
114.09158	3.4
117.95924	2.0
121.10149	10.2
128.10696	4.5
135.11703	10.1
149.13329	2.9
160.60184	2.1
163.14890	2.3
298.03516	2.1
303.30484	9.2
304.34793	2.1
321.31613	18.6
338.34174	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	338.3421
Annotation	CHEBI:69545
Peak:m/z	Relative Intensity
55.05512	5.6
57.07081	13.9
58.06590	3.0
59.60184	2.2
60.04548	2.6
68.04341	3.0
69.07062	18.7
70.06599	5.2
81.07047	13.6
83.08627	7.8
95.08606	13.3
97.10175	14.1
103.16739	3.2
107.08568	3.9
111.08041	3.3
126.35855	3.2
214.16074	3.3
231.99437	3.6
320.33218	20.0
338.13623	4.5
338.34192	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	339.0479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53291	2.0
52.94694	2.3
56.05044	13.0
60.32658	2.2
68.76894	2.8
84.04514	2.6
84.08163	4.0
86.09692	2.9
97.20383	2.7
110.07198	2.7
116.08190	4.2
129.10246	3.5
136.07602	4.6
186.56085	3.1
201.01385	3.2
297.07672	4.7
321.12589	4.3
339.04688	100.0
339.11023	6.5
347.28372	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	339.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.5
55.05508	4.4
57.03441	1.2
57.07088	1.1
58.06609	1.0
59.16466	1.0
59.99108	5.7
61.02923	2.0
69.03411	4.5
69.07063	1.0
70.06588	5.9
71.04972	2.5
71.06110	2.2
72.08173	1.3
74.00629	1.2
74.06084	1.3
77.00626	2.4
77.01754	100.0
81.03439	2.6
81.07072	10.3
82.07382	1.5
83.08604	5.9
84.08141	4.8
85.02905	26.2
85.06534	6.4
86.09737	2.0
87.04494	1.3
92.01710	1.5
95.08594	4.1
96.08922	2.0
97.02891	10.5
101.09641	1.2
102.11082	1.0
102.96840	1.1
109.02893	2.3
117.03384	1.2
118.03243	8.7
120.08103	7.7
121.08430	5.0
122.06046	2.0
123.08120	8.1
124.07589	1.5
124.08349	8.7
126.05493	1.4
127.03905	6.3
127.05017	6.6
136.07596	7.3
141.09100	6.3
141.12741	5.8
142.09431	7.1
145.02811	10.2
145.04977	2.5
145.06085	2.8
147.04568	2.3
147.05870	29.0
149.07475	13.8
150.05519	1.7
150.18713	1.1
152.07117	12.2
159.10170	4.7
160.10503	5.6
164.07030	14.3
170.08141	1.5
175.83272	1.1
177.05463	21.3
177.07008	1.9
177.10542	9.9
177.14842	2.0
182.08122	1.4
182.77771	1.3
187.08806	1.4
191.04832	23.2
191.11755	1.3
199.46837	1.2
205.04715	1.3
215.08298	2.1
222.13170	1.7
224.17610	1.1
241.02115	1.9
243.07668	12.4
245.09117	1.8
255.13484	1.9
261.08740	4.9
271.07141	1.4
271.10715	1.5
289.08221	5.0
289.11789	7.4
303.13461	2.7
307.09274	4.2
307.12888	1.9
321.11133	1.5
321.14429	11.7
339.04706	5.1
339.08328	24.2
339.11566	50.0
339.15787	82.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.1
57.18938	0.6
58.06611	6.1
63.31118	0.7
67.05473	0.7
67.45981	0.6
69.03441	5.7
73.87945	0.7
75.99918	0.6
81.03432	14.2
85.02905	5.4
87.18256	0.8
89.03918	1.5
90.56469	0.7
92.21007	0.9
97.02901	0.9
99.04450	1.2
109.02901	5.0
117.03379	8.2
121.06500	1.2
134.95126	0.8
145.02856	54.8
149.05998	3.0
165.76801	0.8
177.05470	100.0
195.06473	1.6
266.57397	0.8
280.09372	1.5
294.11072	3.3
295.11627	22.4
307.11578	4.1
308.09094	1.5
309.09503	10.9
321.09653	16.5
322.10886	1.5
323.11084	29.2
324.11847	40.1
339.10870	7.6
339.14240	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	339.1223
Annotation	Demethoxycurcumin
Peak:m/z	Relative Intensity
50.38428	1.0
67.05510	1.5
69.03436	2.6
79.50409	1.2
81.03434	12.7
81.07030	1.5
81.87564	1.2
85.02914	1.8
86.09058	1.2
93.07043	1.2
95.04995	1.7
95.08632	1.7
96.23550	1.3
97.02909	1.6
99.04478	1.4
101.00559	1.2
105.07037	1.5
107.08588	1.9
109.02868	5.8
109.10116	2.1
116.88361	1.2
117.03371	7.1
121.62222	1.3
125.05966	2.1
127.03940	2.2
129.06999	1.4
132.71275	1.3
137.06009	1.9
141.35901	1.1
143.84795	1.3
145.02846	69.1
147.04395	1.7
149.06017	2.9
153.05518	1.7
154.66736	1.3
159.08124	1.6
168.13747	2.2
177.05469	100.0
181.67694	1.4
191.08607	2.4
193.10251	1.2
195.06372	1.8
195.51216	1.4
219.08046	5.3
229.08533	2.4
235.07585	2.1
236.08369	5.5
237.09030	1.5
246.06781	1.5
247.07607	2.8
248.08064	1.2
251.10674	10.3
264.07809	9.6
265.08704	2.5
278.09296	2.4
279.10117	6.2
281.07956	2.7
295.11508	6.7
296.10254	1.7
307.09369	8.7
308.10349	1.7
309.09323	1.8
311.12766	7.4
321.09619	13.6
323.11115	12.4
324.11963	13.8
339.12222	39.6
339.26566	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	339.131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.4
59.15270	0.3
67.05496	0.5
81.07055	0.5
84.19466	0.3
94.02286	0.4
100.24711	0.5
117.88741	0.4
125.08448	0.4
128.20859	0.4
135.08072	0.5
137.05977	1.0
220.14459	0.7
274.97562	0.6
281.08908	0.7
293.10080	3.4
294.10223	4.8
295.10544	20.2
307.10507	4.9
308.08240	1.9
309.08441	8.2
322.09753	1.8
323.10110	34.9
324.10825	35.5
338.12848	0.6
339.13184	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77328	2.3
54.18171	2.4
56.05046	52.7
57.03443	3.6
60.69041	2.1
61.02974	2.7
69.03428	26.4
72.04507	18.2
73.02911	10.4
74.06072	16.0
76.05127	18.8
81.03411	19.4
84.60391	2.6
85.02912	11.5
88.04036	2.8
94.93044	4.4
96.04487	12.5
97.02866	4.9
98.06046	13.3
99.04453	29.5
100.36151	2.2
102.05597	8.4
102.06670	2.5
109.02866	3.2
110.06055	9.7
110.73798	2.4
115.03943	3.5
116.07076	14.9
116.08224	65.3
117.06593	3.1
118.05012	23.3
126.05529	3.6
127.03917	9.8
131.23337	2.8
132.95819	3.5
134.06015	13.3
136.07616	4.9
138.05501	4.1
142.04950	2.9
144.06564	44.8
147.07642	2.7
152.07104	3.9
154.08693	4.5
160.07167	24.7
164.07050	24.1
165.06653	2.6
166.08629	12.6
176.74788	3.1
177.08711	12.9
177.09964	4.5
180.06456	3.1
182.08083	5.6
184.09677	4.2
189.08627	3.3
196.06042	5.7
198.07605	3.7
200.09227	33.7
202.10762	4.9
210.07547	21.6
213.08678	34.7
233.05157	3.3
234.98972	9.0
243.09915	2.5
246.09610	2.9
253.07751	5.2
255.09784	59.4
285.10782	5.0
303.11841	53.0
309.02673	15.2
321.12921	100.0
327.33176	2.8
339.01389	3.9
339.09021	10.7
339.14618	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	339.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26106	0.6
58.06599	1.0
65.77432	0.6
200.80550	0.7
220.72742	0.7
230.78999	0.7
280.09213	1.4
281.10135	1.5
294.11172	1.5
295.11594	22.1
307.11673	4.6
308.09125	1.3
309.09555	11.5
317.63593	0.8
322.10565	1.1
323.10956	33.2
324.11835	34.6
339.14059	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
59.67257	0.5
61.93929	0.5
64.88241	0.5
66.02422	0.6
76.66603	0.6
79.70644	0.5
85.97416	0.6
145.02861	2.9
147.30591	0.6
177.05476	5.1
191.97336	0.6
241.64189	0.6
280.09283	0.9
281.09799	0.6
294.11340	4.2
295.11584	22.7
307.11636	6.6
308.09088	1.5
309.09525	13.9
321.09659	0.7
322.10757	1.3
323.11072	34.6
324.11829	46.2
334.57684	0.6
339.14191	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
64.09573	0.4
72.41534	0.4
90.18182	0.5
95.81435	0.5
108.48389	0.4
111.54595	0.4
133.97105	0.4
145.02870	0.8
160.89748	0.4
176.57356	0.5
177.05479	1.9
194.21935	0.4
239.21092	0.4
270.08517	0.5
278.11337	1.0
280.09314	1.7
281.10129	1.9
294.11151	2.0
295.11584	25.3
307.11609	5.7
308.09033	1.8
309.09497	13.4
322.10788	2.2
323.11075	35.3
324.11847	40.5
339.14191	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	0.9
58.04080	2.1
60.04516	1.4
69.03413	1.0
70.06605	1.9
72.04515	11.7
74.06080	19.4
76.05130	28.3
79.95546	0.9
79.96639	0.9
80.97417	1.1
81.03376	2.9
85.03990	1.2
86.16718	1.0
99.04459	2.2
102.06696	4.4
102.71910	1.0
116.08216	100.0
118.05025	18.7
120.06663	1.0
122.71867	1.0
124.88589	1.1
131.73198	1.1
136.07600	3.9
160.07167	29.6
166.08595	2.3
177.09825	12.2
184.09697	14.5
200.09183	11.5
202.10806	7.1
211.11975	1.7
213.74734	1.0
214.02669	1.1
246.09747	6.7
259.13959	7.6
288.75562	1.0
303.12985	8.1
321.14081	17.6
338.94806	1.8
339.15106	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	339.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06522	0.6
64.37878	0.6
69.62701	0.7
71.12079	0.6
72.08089	0.6
81.07063	1.1
84.08139	1.4
95.10857	0.8
110.06031	3.9
120.04477	0.9
120.08104	5.6
121.08444	3.9
122.06027	12.9
124.07595	6.3
127.43944	0.7
134.06021	14.2
136.07579	31.7
140.07079	3.2
145.08575	0.7
150.05460	7.7
152.07065	86.2
158.08160	1.0
162.20361	0.7
164.07054	100.0
166.08615	1.6
169.94696	0.6
170.08113	7.6
182.08119	18.5
200.10733	0.9
208.09341	0.8
213.35353	0.7
214.12308	0.9
219.11371	0.8
242.11742	1.4
243.11331	0.7
260.12860	5.7
285.12387	3.0
289.11694	0.9
303.13391	35.6
321.14398	34.1
334.17255	0.7
339.04913	1.1
339.11722	1.1
339.15518	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	339.2163
Annotation	Monacolin J acid
Peak:m/z	Relative Intensity
52.53818	1.1
53.03947	1.8
54.96820	1.2
55.05520	6.2
56.03775	1.0
57.03436	8.6
63.04872	1.0
65.03938	1.1
67.05518	17.5
69.03429	1.9
69.07066	9.6
71.04981	1.7
74.42238	1.1
79.05499	18.7
81.03441	9.4
81.07063	100.0
83.04996	15.9
83.08620	7.0
85.06532	3.0
91.05474	9.1
93.07048	22.4
95.04949	5.4
95.08609	27.3
97.06513	2.9
97.10172	5.6
98.97569	8.8
99.04420	1.6
105.07033	10.5
107.04951	15.2
107.08601	14.8
109.02869	1.6
109.05772	2.3
109.06522	65.5
109.10169	7.6
111.03797	1.1
111.04437	12.4
111.08109	4.9
116.98611	6.3
117.06991	5.2
119.04959	2.5
119.08578	9.2
121.06499	3.1
121.10122	13.0
123.04442	9.0
123.08058	8.2
125.09645	2.3
131.08582	7.2
133.06543	4.5
133.10110	11.6
134.99632	2.9
135.08080	6.5
135.11664	17.9
139.11108	1.7
141.06978	2.6
143.08583	1.5
145.06493	5.2
145.10120	5.3
147.11670	2.1
149.13248	9.9
151.07561	5.5
157.13235	1.2
159.08070	2.4
159.11699	11.7
161.09634	6.5
161.13234	1.7
163.07521	1.4
163.11174	2.2
165.09068	1.5
169.10062	1.8
173.13335	1.6
177.12749	11.1
179.10638	2.6
187.11223	11.2
205.12141	4.7
209.15370	6.0
233.15352	5.0
241.14407	4.4
243.17307	1.5
255.15944	5.0
256.96494	2.4
261.18405	7.0
271.16901	7.6
274.97577	15.6
289.17966	41.9
292.98489	11.5
303.19528	5.6
305.24796	7.4
307.18872	4.6
321.20584	40.1
322.27405	17.0
339.21603	1.5
339.30435	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	339.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.5
55.05513	5.9
57.03446	4.3
57.45818	0.9
65.49846	0.9
67.05510	25.0
69.03425	1.5
69.07062	6.4
77.44643	0.9
79.05497	9.2
81.07063	22.7
83.04982	9.2
83.08621	6.1
85.06544	4.3
85.99754	0.9
88.48357	1.0
90.87852	1.0
91.05480	20.9
93.07043	22.0
93.39740	1.0
95.04973	4.4
95.08593	5.9
97.06536	1.8
97.10182	6.0
99.08063	1.5
105.07044	21.1
107.08589	26.5
109.06519	7.6
109.09434	2.2
109.10155	44.3
109.10912	1.6
110.10958	1.0
111.08091	9.0
113.05991	1.6
117.06996	1.3
119.08564	8.0
121.06487	2.1
121.10174	4.6
123.08091	4.7
123.11707	13.0
125.09613	5.3
131.08580	1.9
133.06490	2.2
133.10126	71.9
135.08076	6.2
135.11725	1.1
137.09610	12.0
145.10117	2.0
147.08044	4.5
147.11725	1.2
149.09633	4.6
151.11176	33.4
161.09642	4.9
163.07587	1.4
163.11125	1.4
165.09116	4.9
171.11732	1.2
173.09563	1.2
173.13214	1.1
179.10596	1.4
183.10135	5.4
183.11717	1.0
183.13805	4.6
187.14915	1.2
203.12784	1.7
205.15912	1.2
233.15356	4.8
243.17317	1.9
261.18500	6.3
265.18005	6.2
271.16885	3.9
279.19513	1.6
289.17963	39.3
293.21014	1.3
303.19415	1.2
307.18970	10.8
310.23471	1.2
316.01938	1.0
321.20538	4.4
339.21634	100.0
339.26929	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	339.2164
Annotation	Monacolin J acid
Peak:m/z	Relative Intensity
55.05510	20.7
55.59165	3.9
57.03434	46.5
57.25040	4.6
62.06096	10.9
67.05502	37.1
69.03429	4.8
69.07063	26.1
71.05011	6.1
71.53849	4.5
77.50644	4.4
79.05488	33.9
81.03442	9.0
81.07063	48.0
82.07384	5.7
83.04987	5.4
83.08612	27.7
91.05442	19.0
93.07023	34.0
95.04930	6.0
95.08593	42.8
97.06519	50.6
97.10152	29.2
98.97584	42.7
105.07018	20.7
107.04958	10.1
107.08594	33.0
109.06496	25.9
109.10152	20.9
113.05988	9.5
116.98645	44.7
116.99423	6.6
117.07059	5.5
119.08578	28.2
121.06518	8.7
121.10135	26.6
123.08064	24.8
125.06007	30.8
125.09639	10.6
131.08551	9.2
133.10103	20.2
134.99641	31.3
135.08038	23.8
135.11714	10.5
145.06477	6.1
147.11696	28.7
149.09654	5.4
149.13321	6.7
151.11165	6.6
159.08092	29.7
159.11664	7.2
163.07561	9.4
169.10323	5.6
176.17085	5.9
203.12762	6.0
219.13718	9.2
233.15396	22.0
256.96347	20.8
271.16916	35.6
274.97437	100.0
289.17920	92.1
292.98489	60.5
294.24219	21.5
297.99136	6.8
303.19446	7.8
307.18997	10.8
321.20554	67.5
321.26288	36.4
322.27710	8.5
339.14719	6.7
339.21701	72.8
339.26941	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	339.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80213	1.5
52.42405	1.5
53.03975	2.1
55.01875	2.4
55.05526	13.5
55.21039	1.5
56.81700	1.8
57.03445	39.8
59.45996	1.7
67.05510	29.3
69.03434	3.8
69.07062	7.4
71.04996	2.8
79.05511	16.1
81.03418	16.3
81.07054	24.9
83.04998	7.6
83.08621	11.2
91.05488	31.9
93.07050	100.0
94.44611	2.0
94.62205	2.7
95.04959	15.2
95.08614	34.0
97.06558	2.7
97.10168	12.6
98.97596	9.3
103.05474	2.0
105.07038	12.5
107.04946	9.4
107.08615	18.1
109.02866	2.8
109.06531	9.8
109.10193	14.3
109.17430	2.0
111.04469	3.2
111.08083	24.7
113.05988	2.6
116.98644	8.4
117.07019	9.6
119.08593	19.8
121.06510	34.3
121.10146	13.9
123.08102	3.8
123.11697	1.9
125.09628	9.5
127.03952	2.3
128.14267	4.8
131.08578	12.6
132.67043	1.8
133.06519	4.6
133.10115	11.4
134.99695	3.2
135.08073	18.5
137.09645	9.6
139.07549	4.3
145.02856	4.8
145.10228	6.7
147.11722	3.9
149.09627	9.8
151.07542	3.3
153.09125	3.0
155.08580	2.8
157.10156	7.1
159.08052	3.0
163.07573	11.1
163.11237	2.8
164.37462	1.9
167.10706	3.3
169.10123	3.1
171.11719	12.1
175.11130	2.7
177.05505	12.9
177.09059	3.8
185.13274	2.5
187.11278	2.5
189.12639	3.1
191.10651	4.0
199.11163	9.3
203.12790	4.2
217.12204	4.0
233.15379	4.1
243.17314	2.5
253.56459	2.1
256.96234	2.5
261.18408	2.5
271.16931	10.8
274.97476	18.9
289.18015	24.0
292.98636	15.0
303.19498	8.2
307.19070	4.0
321.20596	9.6
321.25623	3.3
339.26703	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	339.2318
Annotation	11beta,17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one
Peak:m/z	Relative Intensity
55.05506	1.3
57.06871	0.6
57.07084	11.0
67.05513	1.0
67.41550	0.6
67.55411	0.8
79.05489	1.5
81.07066	3.5
87.49254	0.7
91.05474	1.9
93.07040	1.7
95.08577	1.7
97.06525	0.9
98.97600	7.0
105.07056	7.1
107.04990	1.1
107.08600	3.5
109.06510	0.8
113.25758	0.8
116.98613	4.8
119.08588	10.5
121.06497	4.6
121.10145	29.3
133.06482	1.6
133.10144	16.7
134.99673	1.2
147.08035	1.0
147.11687	30.8
151.11136	1.7
157.10114	1.9
163.11201	3.0
166.87718	0.8
175.11180	28.7
220.24959	0.8
225.81204	0.8
236.95572	0.9
256.96304	1.3
274.97504	10.9
280.15210	0.8
283.16919	100.0
289.17975	1.7
292.98492	5.8
297.98846	1.3
298.16724	1.3
321.20697	1.1
339.19217	4.9
339.23172	53.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48560	0.6
55.01877	1.3
55.05523	5.5
57.03430	0.9
57.07074	0.7
65.03941	0.7
67.05510	19.5
69.03419	0.8
69.07076	7.4
71.04990	1.3
77.79015	0.8
79.05499	10.6
80.63371	0.7
81.07062	27.0
83.04981	1.6
83.08611	9.2
85.06556	1.2
86.06061	1.2
91.05479	7.9
91.81561	0.7
92.36960	0.7
93.07036	18.5
95.04961	1.8
95.08607	24.7
95.74788	0.7
97.06519	4.3
97.10168	5.3
98.97566	1.4
99.08107	1.1
100.07622	3.2
105.07028	11.9
107.04984	0.9
107.08598	18.8
109.06516	1.7
109.10158	13.3
111.08055	1.5
113.06006	1.1
113.28154	0.8
114.09227	0.8
116.98641	1.5
117.06998	5.7
119.08567	13.0
121.06535	1.2
121.10144	24.3
123.08067	3.6
123.11712	1.7
125.09613	1.9
126.09199	1.1
129.07001	1.4
131.08560	10.8
133.06462	1.1
133.10117	15.7
135.08018	5.6
135.11699	19.3
137.09595	3.7
141.07057	1.0
142.07574	0.7
143.08580	1.9
145.10138	14.8
147.08083	1.9
147.11699	14.9
149.05884	0.9
149.09628	6.9
149.13235	9.2
151.07619	0.9
151.11189	1.4
157.10124	6.5
159.11679	13.8
161.08374	0.9
161.09615	8.0
161.13219	8.0
163.11165	4.4
163.14865	1.4
165.12723	1.1
169.10118	1.5
171.11650	7.9
173.09627	1.1
173.13240	5.8
175.11205	10.9
175.14841	3.4
177.12723	5.4
179.48846	0.8
183.11623	1.3
185.13266	10.2
187.11201	3.0
187.14882	1.0
189.12767	7.2
192.13878	1.2
195.11752	1.5
197.13162	0.9
199.14886	1.2
203.14241	1.9
206.15376	1.3
209.13307	1.1
221.15378	1.3
225.16330	1.2
227.17851	3.0
237.00487	0.8
241.19547	5.3
243.21207	1.1
251.17871	4.0
253.22762	3.3
259.17889	0.7
259.20535	5.7
261.22034	1.6
269.19003	12.8
271.17096	0.9
274.97528	7.1
276.23279	6.3
277.21646	3.5
286.21637	15.6
287.20047	30.3
289.17950	3.2
292.98557	4.3
295.11429	1.4
304.22681	29.3
305.21112	11.0
307.18939	0.8
321.20486	3.1
321.25385	3.2
322.23776	17.9
323.11029	1.8
324.11853	1.7
339.14337	7.5
339.22025	3.9
339.26443	100.0
339.29929	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	339.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76940	1.1
55.01866	2.0
55.05518	5.0
57.03442	3.1
60.49192	1.3
67.05516	13.6
69.03418	1.7
69.07066	5.8
70.06572	1.3
71.04991	3.1
71.05356	1.2
79.05505	8.0
81.03414	1.7
81.07056	16.6
83.04977	2.8
83.08646	3.1
84.08182	1.1
85.06528	1.8
86.06041	1.7
87.04507	1.6
91.05497	7.7
93.07047	16.6
95.04966	5.1
95.08607	14.9
97.06547	5.2
97.10161	3.0
98.97616	1.8
99.08091	1.2
100.25294	1.3
105.07018	12.2
106.95667	1.4
107.04951	2.2
107.08590	14.1
109.06515	3.1
109.10167	6.5
111.08076	2.4
117.07009	2.8
119.08586	12.1
121.06475	2.3
121.10165	11.4
123.08052	1.5
129.07014	1.7
131.08585	8.2
133.10135	8.0
135.08064	5.4
135.11649	11.8
137.09714	2.5
140.84776	1.3
143.08569	5.9
145.10132	11.8
147.08063	1.5
147.11714	6.7
149.09631	3.1
149.13309	4.9
151.11191	2.0
151.12346	1.4
157.10190	5.4
159.11705	10.3
161.09630	6.3
161.13277	6.9
163.11200	5.4
163.94542	1.3
165.12704	2.0
171.11694	9.6
173.13301	7.0
175.11203	5.3
185.13283	6.9
189.12744	6.3
195.11755	2.0
203.14316	3.0
207.13817	2.2
227.17836	2.0
235.21729	2.6
251.17989	3.4
253.22755	5.7
259.20654	1.9
269.19183	9.3
274.97513	3.1
277.21643	2.2
286.21619	11.0
287.20099	15.8
289.18048	8.0
292.98599	2.9
304.22726	25.4
305.21097	14.8
307.18991	3.3
321.20691	2.7
321.25488	12.4
322.23898	10.7
323.10867	1.8
324.11957	1.5
339.14078	6.7
339.22519	3.6
339.26486	100.0
339.29742	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	339.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43623	1.5
55.05513	1.7
55.45471	1.5
57.07081	8.7
57.92618	1.6
61.16798	1.6
63.37855	1.4
67.05502	8.6
69.07066	7.0
69.45172	1.5
71.04990	7.2
77.15624	1.7
78.42135	1.9
79.05502	2.4
80.47417	1.7
81.07079	16.9
83.08615	3.9
85.06577	1.9
91.05477	4.1
93.07049	25.6
95.04976	1.9
95.08604	29.1
97.06509	2.3
98.97581	12.3
105.07042	22.8
107.08582	23.2
109.06527	2.6
109.10134	18.2
111.08059	7.7
113.09700	1.7
116.98614	7.8
119.08588	32.8
121.06479	2.5
121.10156	27.4
123.11725	2.3
131.08548	10.8
133.10129	35.4
134.99644	3.6
135.11696	9.9
143.08618	3.8
145.10133	20.4
147.11705	50.3
149.13231	3.9
149.71494	1.9
157.10158	13.6
159.11702	23.5
161.13225	4.4
163.11206	2.4
171.11700	14.2
173.13254	19.0
175.11160	20.3
175.14801	4.0
185.13251	4.6
187.14848	13.8
189.16400	15.0
197.13237	2.9
199.14835	9.7
201.16443	10.2
211.14899	2.4
213.16357	11.3
215.18005	3.2
223.14786	2.0
225.16373	1.9
227.17934	9.5
255.21088	11.7
256.96478	3.8
265.19455	2.3
274.97516	27.7
281.22702	13.9
283.16916	81.0
283.20062	4.4
292.98679	17.0
321.25745	12.6
339.23062	36.1
339.26846	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.05520	12.0
57.03441	6.9
57.07082	8.4
58.20823	0.5
60.04520	3.5
60.18944	0.6
66.10579	0.5
67.05512	13.5
69.07066	19.4
69.07438	0.7
71.04990	0.7
71.08630	3.9
79.05505	5.1
81.07061	17.7
83.04970	0.8
83.08624	19.2
84.08157	0.7
85.06533	0.7
85.10186	1.0
86.06084	0.8
91.05472	0.9
93.07036	8.1
94.73527	0.5
95.08606	18.2
95.77181	0.6
96.11930	0.6
97.06551	2.5
97.10172	10.7
98.97599	0.6
99.08125	0.6
100.07624	1.0
105.07040	0.9
107.08574	5.7
109.10136	10.0
111.08090	3.0
111.11732	2.3
114.09168	2.2
119.08597	1.4
121.10139	6.2
123.08096	0.8
123.11713	2.4
125.09683	0.6
128.10811	0.6
128.14365	4.1
133.10141	3.0
135.11687	4.3
137.09636	0.7
137.13281	0.9
139.11198	0.7
142.15944	0.7
147.11714	2.2
149.13239	2.3
149.74263	0.6
151.11220	1.2
151.14774	0.6
153.12718	0.7
154.12292	1.4
161.13269	1.0
163.14804	1.0
168.13829	4.6
170.15495	1.0
175.14859	1.2
179.17917	0.7
185.16478	0.7
210.14787	0.6
239.15092	0.6
245.22627	2.6
256.96426	0.8
263.23785	3.8
265.25262	1.2
274.97598	1.2
279.27939	5.7
280.26321	30.3
282.51157	0.6
292.98532	1.2
297.29019	26.5
298.27316	2.1
339.29718	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.289
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
52.40954	0.5
55.05524	14.0
55.05775	0.9
56.77813	0.6
57.03447	5.4
57.07082	9.3
60.04532	4.3
62.13575	0.5
67.05513	11.7
69.07074	25.3
69.07439	1.0
71.05013	0.7
71.08636	5.2
79.05505	4.0
81.07054	19.2
83.08617	16.6
83.09033	0.9
85.10197	1.2
86.06101	0.8
91.05498	1.1
93.07038	8.0
95.07699	0.8
95.08603	21.9
95.09180	0.8
97.06555	3.8
97.10157	13.0
98.97596	1.7
100.07631	0.9
105.07059	1.2
107.08615	5.6
109.10144	12.3
111.08121	3.5
111.11746	3.6
116.98677	1.5
118.53057	0.7
119.08619	1.6
121.10141	7.8
123.08112	0.7
123.11684	4.7
125.09653	1.2
128.10783	0.8
128.14380	4.6
131.08464	0.6
133.10175	3.7
135.11642	6.2
137.09645	1.0
137.13272	0.9
139.11229	0.8
147.11685	1.0
149.13289	2.9
151.11250	0.9
161.13301	1.5
162.67564	0.7
163.14856	1.0
165.12828	0.7
168.13834	5.5
175.14879	1.1
182.15585	0.7
210.14944	0.9
215.89185	0.6
219.21130	1.0
245.22668	3.7
247.24303	0.8
263.23743	3.1
263.40396	0.7
265.25342	1.2
274.97531	5.1
279.28058	6.4
280.26340	36.1
292.98611	3.4
297.25595	1.2
297.28967	35.7
339.13965	1.1
339.29758	100.0
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
55.05501	9.5
57.07072	8.8
60.04525	8.5
60.48329	1.2
67.05504	10.3
69.07067	17.4
71.08623	3.3
79.05496	1.8
81.07060	22.6
83.08622	13.9
89.62485	1.4
91.05460	2.7
93.07021	9.1
95.08599	23.3
97.10181	11.2
105.07035	2.6
107.08607	10.6
108.49710	1.4
109.10145	16.8
111.08045	1.5
111.11713	2.3
112.03981	1.5
114.09156	2.0
119.08557	6.1
121.10128	10.4
123.11697	5.8
129.60187	1.5
133.10153	6.2
135.11676	7.0
135.46684	1.6
142.15921	4.9
145.10155	2.1
147.11678	7.0
149.13202	7.5
151.11180	2.0
154.12274	2.2
161.13223	6.0
163.14713	2.0
175.14748	2.7
182.11755	2.5
190.06842	1.9
196.16841	2.0
245.22556	5.6
250.25197	5.8
259.24106	2.7
261.22040	2.2
263.23581	7.1
276.26941	2.1
277.25266	5.9
278.24677	8.4
280.26312	34.2
287.23746	2.7
295.27408	2.8
297.29065	12.5
304.22687	2.3
304.26382	2.8
305.24805	13.6
306.95145	1.7
321.29059	3.5
322.23718	9.8
322.27359	17.3
339.20679	2.0
339.26382	18.5
339.30026	100.0
340.24805	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	339.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	6.9
57.03441	3.7
57.07096	5.6
60.04523	5.8
65.37708	0.7
67.05507	7.8
69.07078	17.2
71.08631	3.2
79.05497	1.6
81.07059	13.7
83.08628	12.7
85.06558	1.1
85.10189	0.9
86.06091	1.4
90.13788	0.7
91.05496	1.3
93.07042	4.0
95.08597	16.0
97.06526	1.6
97.10181	9.2
99.08113	0.7
100.11253	5.9
100.54981	0.6
104.70679	0.6
105.07050	1.5
107.08599	4.6
109.10159	9.6
111.08090	0.9
111.11739	1.6
114.09145	3.0
116.09916	0.8
119.08561	2.6
119.81908	0.7
121.10155	7.1
123.11711	3.7
125.09631	1.1
125.63162	0.7
126.09180	1.1
128.10736	1.3
133.10152	4.2
135.11739	4.5
137.09520	0.8
137.13249	1.3
139.11220	1.2
142.12292	1.2
147.11719	4.6
149.13246	2.8
161.13225	1.6
163.14854	1.4
171.93736	0.8
175.11205	1.3
175.14859	1.0
189.16338	0.9
196.17050	4.3
204.95187	0.7
210.31322	0.7
236.70457	0.7
245.22716	3.7
263.23770	4.3
279.28052	2.9
280.26303	14.9
283.16895	7.1
297.28940	11.1
339.19110	4.3
339.23141	3.9
339.30023	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	4.3
57.07074	3.8
59.84700	0.7
60.04524	6.4
66.28294	1.0
67.05511	9.3
68.45160	0.9
69.07067	11.5
71.08620	1.9
77.10043	0.9
81.07063	16.1
83.08639	9.0
85.10181	1.3
85.53663	0.9
86.06036	0.8
86.11568	0.9
93.07034	4.1
95.08615	14.1
97.06499	1.3
97.10142	7.3
99.88442	1.0
100.07589	1.2
105.07050	1.5
107.08591	1.7
109.10160	10.5
111.08096	1.9
111.11768	1.2
112.07684	1.0
114.09171	1.6
119.08608	4.1
121.10128	4.0
123.11710	4.4
133.10132	5.0
135.11693	1.8
136.82184	0.9
137.09671	1.7
137.13278	1.7
142.15880	8.0
147.11693	4.6
149.13232	1.1
150.02339	1.0
151.14835	0.9
154.12280	6.4
161.13261	1.7
175.14749	1.4
178.26698	1.0
245.22675	5.1
263.23700	5.6
277.35660	1.3
279.27896	1.0
280.26340	17.6
297.29001	15.1
301.49020	1.0
317.03876	1.0
322.27536	1.2
339.30060	100.0
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
55.05505	5.3
57.07083	4.7
60.04523	6.0
67.05510	8.9
69.07076	12.2
70.15570	0.9
71.08629	1.2
79.05509	1.2
81.07060	13.3
83.08628	10.1
91.05465	1.4
93.07050	4.6
95.08594	15.2
97.10175	6.9
97.13038	1.1
100.07591	1.8
103.61176	1.1
107.08665	1.6
109.10158	11.2
111.08068	1.5
111.11771	1.7
114.09159	1.5
119.08544	2.5
121.10146	4.0
123.11718	5.2
133.10136	5.6
135.11723	1.7
137.09560	1.6
137.13286	1.5
140.10765	1.3
142.15891	7.7
147.11710	4.1
149.24821	1.2
154.12282	10.8
161.13284	1.8
195.81834	1.1
235.84309	1.0
241.48517	1.0
245.22708	1.9
263.23657	2.6
279.27899	7.8
280.26346	38.5
297.29010	45.1
339.30060	100.0
356.65302	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	339.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61544	0.5
55.05521	7.3
57.03451	0.9
57.07082	7.0
60.04531	4.7
62.10611	0.6
67.05505	11.4
69.07069	16.2
71.08623	2.8
71.11710	0.7
77.49223	0.6
79.05509	2.9
81.07060	20.7
83.08630	14.2
84.08142	1.0
85.06534	1.0
85.10198	1.3
85.91370	0.7
86.06090	1.5
91.05499	3.3
93.07052	6.3
95.08610	27.3
97.06525	1.4
97.10178	12.1
98.97565	1.6
99.08128	0.8
100.07607	2.6
101.13240	0.7
105.07044	4.9
107.08612	5.5
109.10165	15.0
111.08083	3.1
111.11738	4.1
113.09664	0.8
114.09185	1.4
116.98624	1.3
119.08606	3.8
121.10170	6.5
123.08078	1.6
123.11726	6.5
125.09633	0.8
126.09169	0.9
128.10744	1.3
133.10153	7.3
134.99696	1.6
135.11714	3.7
137.09607	1.1
137.13223	3.2
139.11179	0.8
140.10724	9.2
142.15921	1.1
144.17404	0.7
147.11702	4.8
149.13293	3.5
150.58226	0.7
153.12689	0.7
154.12325	1.4
156.17471	8.3
157.13371	2.8
161.13268	1.1
165.16341	1.3
168.17499	0.8
171.11772	0.8
175.14874	1.3
189.16417	2.8
221.22424	0.9
244.26619	0.9
245.22632	5.4
262.25333	0.7
263.23740	6.9
274.97632	5.5
279.27963	7.6
280.26328	40.3
283.17075	3.1
292.98633	1.2
297.25613	1.9
297.28998	51.6
298.27380	1.2
305.56668	0.7
320.37341	0.7
339.30060	100.0
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
52.22452	1.4
55.05521	7.7
56.97180	1.2
57.03436	2.4
58.62555	1.5
62.06106	2.9
66.20262	1.3
66.92305	1.2
67.05176	2.8
67.05511	41.8
69.07062	15.5
70.89275	1.2
71.08635	2.1
74.39960	1.3
79.05506	24.8
81.06617	2.7
81.07063	48.8
83.08624	17.3
88.26877	1.4
91.05466	9.6
93.07056	36.0
95.08004	2.0
95.08612	53.6
95.37000	1.6
96.84933	1.3
97.06541	9.0
97.10171	16.6
98.97569	2.0
100.79856	1.4
105.07018	9.3
107.08604	33.3
109.10158	24.3
111.08092	9.1
113.92487	1.4
116.98642	2.7
117.07034	2.2
119.08574	8.8
121.10146	62.7
123.11713	6.7
125.09605	7.1
131.08553	3.3
133.10143	13.9
135.11691	44.2
137.09605	2.0
139.11154	1.4
145.10124	5.7
147.11676	9.6
149.13260	13.6
159.11710	2.7
161.13245	7.0
163.11243	1.8
163.14830	7.5
173.13268	2.6
175.14795	2.6
177.16270	1.9
187.14775	3.4
191.14296	2.2
207.17554	1.8
237.59399	1.5
270.41196	1.6
271.16724	2.4
274.97458	9.6
287.23663	8.7
289.17944	3.4
292.98553	5.8
304.26395	6.0
305.24731	42.4
321.20572	1.9
321.26331	2.8
322.27386	100.0
324.13821	1.6
332.19794	1.6
339.21667	6.0
339.30176	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	339.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	12.1
55.88644	1.5
57.03442	18.1
62.06100	10.4
65.31727	1.5
67.05515	40.6
67.64187	1.4
69.03435	1.9
69.07063	14.2
71.04994	2.4
71.08652	2.7
79.05503	24.4
81.07055	51.9
83.04969	3.4
83.08620	21.6
85.06537	2.3
91.05476	12.8
93.07036	42.3
95.08596	44.3
96.69659	1.7
97.06521	21.6
97.10163	19.4
98.97607	3.8
99.08083	2.0
105.07046	11.2
105.82389	1.6
107.04995	2.8
107.08592	33.3
109.06571	6.8
109.10159	21.6
109.69839	1.6
111.08107	8.8
111.11720	2.1
116.98644	3.4
117.07024	6.9
119.08567	17.6
121.06508	3.6
121.10138	68.6
123.08070	12.4
123.11784	2.2
125.06001	9.9
125.09608	3.2
129.07043	1.7
131.08586	13.2
133.10138	13.6
134.99689	2.8
135.08020	2.9
135.11691	41.4
137.09659	6.5
139.11191	2.6
145.06610	2.2
145.10181	10.2
147.08061	3.0
147.11716	10.4
149.09709	2.8
149.13258	14.9
151.11223	2.2
157.10136	2.5
159.08116	9.5
159.11697	2.7
161.09624	2.8
161.13283	7.7
163.11162	3.6
163.14827	2.3
173.13179	3.6
175.14877	4.1
177.09038	2.2
187.14871	3.2
189.16391	2.3
193.12250	1.9
209.15480	2.1
223.18976	2.1
233.15424	8.8
271.16956	15.0
274.97372	14.9
287.23773	7.6
289.17923	17.9
292.98605	7.8
294.24319	2.5
304.26358	10.1
305.24713	36.3
307.19083	8.6
321.20615	11.5
321.26328	12.7
322.27386	100.0
339.21652	29.9
339.26932	4.8
339.30234	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	339.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	12.1
55.88644	1.5
57.03442	18.1
62.06100	10.4
65.31727	1.5
67.05515	40.6
67.64187	1.4
69.03435	1.9
69.07063	14.2
71.04994	2.4
71.08652	2.7
79.05503	24.4
81.07055	51.9
83.04969	3.4
83.08620	21.6
85.06537	2.3
91.05476	12.8
93.07036	42.3
95.08596	44.3
96.69659	1.7
97.06521	21.6
97.10163	19.4
98.97607	3.8
99.08083	2.0
105.07046	11.2
105.82389	1.6
107.04995	2.8
107.08592	33.3
109.06571	6.8
109.10159	21.6
109.69839	1.6
111.08107	8.8
111.11720	2.1
116.98644	3.4
117.07024	6.9
119.08567	17.6
121.06508	3.6
121.10138	68.6
123.08070	12.4
123.11784	2.2
125.06001	9.9
125.09608	3.2
129.07043	1.7
131.08586	13.2
133.10138	13.6
134.99689	2.8
135.08020	2.9
135.11691	41.4
137.09659	6.5
139.11191	2.6
145.06610	2.2
145.10181	10.2
147.08061	3.0
147.11716	10.4
149.09709	2.8
149.13258	14.9
151.11223	2.2
157.10136	2.5
159.08116	9.5
159.11697	2.7
161.09624	2.8
161.13283	7.7
163.11162	3.6
163.14827	2.3
173.13179	3.6
175.14877	4.1
177.09038	2.2
187.14871	3.2
189.16391	2.3
193.12250	1.9
209.15480	2.1
223.18976	2.1
233.15424	8.8
271.16956	15.0
274.97372	14.9
287.23773	7.6
289.17923	17.9
292.98605	7.8
294.24319	2.5
304.26358	10.1
305.24713	36.3
307.19083	8.6
321.20615	11.5
321.26328	12.7
322.27386	100.0
339.21652	29.9
339.26932	4.8
339.30234	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	339.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04606	1.1
51.36084	1.0
55.05514	8.1
57.07084	12.0
60.04519	6.0
67.05509	22.6
69.07075	22.3
71.08634	6.8
79.05499	5.6
81.07059	29.4
83.08623	18.8
85.58974	1.3
86.06086	1.4
91.05464	2.1
93.07041	15.1
95.04967	1.3
95.08609	32.4
97.06532	3.0
97.10176	14.0
99.08108	2.2
100.07636	2.0
100.11221	1.7
105.07027	3.3
107.08573	9.5
109.06501	1.7
109.10145	20.3
111.08060	1.7
111.11731	2.1
112.03998	1.3
114.12804	1.7
119.08582	7.1
121.10137	12.0
123.08064	5.6
123.11701	9.4
125.09631	1.5
131.08508	2.8
131.34042	1.4
133.10132	11.0
135.07976	1.6
135.11679	5.9
137.09586	2.7
137.13272	3.4
142.15907	8.4
145.10257	1.8
147.11685	5.8
149.13275	3.2
151.11205	2.0
154.12262	2.5
161.13269	6.1
175.14819	3.1
180.13741	1.6
180.17499	1.6
182.11740	6.2
182.15425	2.2
189.16296	1.8
207.17409	1.7
210.14749	2.2
245.22607	2.5
250.25293	6.9
259.24249	1.4
261.22079	6.3
263.23584	8.6
269.22833	1.4
276.23349	1.4
276.26877	3.0
277.25241	2.9
278.24780	12.8
279.27954	1.6
280.26370	34.8
287.23666	2.2
294.24387	1.5
295.27560	3.3
297.28979	16.8
304.22702	3.1
304.26233	5.4
305.24628	14.0
321.28967	5.9
322.23709	12.3
322.27426	15.9
339.20264	2.0
339.26389	24.7
339.30045	100.0
340.24753	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	340.0814
Annotation	Ser-Asn-OH
Peak:m/z	Relative Intensity
51.30647	0.2
53.10447	0.2
65.64623	0.2
70.06596	1.2
72.04514	0.3
72.08138	0.3
74.06081	0.4
76.05120	0.3
84.08138	0.5
86.09702	1.1
97.02930	0.3
110.07151	1.0
112.43110	0.2
116.07093	1.2
116.08207	0.9
120.08109	1.3
187.15088	0.2
200.85806	0.3
241.05649	0.2
245.04625	0.3
248.07036	0.3
250.08606	2.2
263.05823	0.4
271.05066	0.3
278.08090	5.0
281.06586	0.3
294.07584	9.7
296.09137	2.0
312.08652	0.3
322.07086	3.4
322.17905	0.3
324.80106	0.3
340.08142	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05041	0.5
58.06613	0.4
60.05676	0.3
70.06591	4.9
73.93549	0.3
76.05116	0.5
82.74024	0.3
83.08624	0.6
84.04527	0.4
86.09696	1.6
96.08150	0.4
97.10153	0.4
105.69064	0.3
110.07193	0.4
110.87255	0.3
114.09174	2.4
116.07105	0.5
121.48798	0.3
124.05024	0.4
130.08635	2.0
143.10718	2.1
150.06656	0.3
156.06207	0.3
199.51085	0.3
211.14441	0.5
220.14459	1.2
223.69846	0.3
227.13908	1.3
228.15939	0.4
235.07529	0.5
248.13889	1.6
263.07053	2.5
280.09891	0.3
282.07590	1.5
295.09442	0.5
296.09161	22.6
304.15436	0.4
307.08411	0.5
308.09201	4.4
310.07074	9.1
310.10678	0.4
311.08035	0.7
322.10498	0.6
322.17068	1.4
324.08652	28.3
325.05438	0.5
325.09439	36.2
340.11786	100.0
340.18683	4.1
340.25546	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	340.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80751	0.3
53.21459	0.3
57.77376	0.3
67.77329	0.4
69.07063	0.3
70.06593	4.0
73.27975	0.4
86.09702	2.1
96.08157	0.6
110.07203	0.4
114.09178	2.2
116.07103	1.5
124.05116	0.5
130.08664	0.9
186.85509	0.4
208.14423	0.5
211.14272	0.5
220.05135	0.8
227.14018	0.7
228.41862	0.4
235.07521	0.5
248.13878	0.5
263.07016	1.6
279.08939	0.7
282.07410	0.8
295.09653	0.6
296.09183	24.7
307.08078	0.5
308.09177	5.0
308.12592	0.6
310.07083	7.2
311.07822	0.7
322.16971	0.4
322.24951	0.6
324.05502	0.4
324.08652	29.5
325.09442	39.7
340.11795	100.0
340.18732	2.6
340.25650	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	340.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52707	0.7
54.27319	0.7
56.05040	7.4
58.04065	1.1
60.05645	1.3
61.04033	0.8
70.06597	4.1
72.04517	8.7
72.06689	0.8
72.08167	4.2
74.02441	2.0
74.06086	4.7
76.05115	2.2
84.08147	4.7
86.09703	5.7
94.04031	15.7
96.05687	1.1
98.06047	8.0
100.05101	10.6
102.05547	4.9
110.07149	6.6
112.05096	6.1
114.06673	4.3
117.06606	1.7
118.05016	5.0
118.06140	1.1
120.06578	1.0
120.08123	1.6
126.30740	0.9
127.69357	1.0
129.10245	1.9
136.07552	1.4
139.06175	7.0
139.07401	0.8
140.04558	100.0
144.06583	14.1
156.07661	4.5
160.07158	17.3
164.05681	26.6
165.04062	14.8
179.06763	47.6
180.05153	4.1
181.08356	2.2
197.07813	49.7
202.08224	24.7
220.14459	1.2
221.07870	8.9
223.08337	3.7
239.08839	4.8
248.13916	1.4
263.08694	1.2
281.09930	56.0
298.12585	13.5
340.13614	42.2
340.18933	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	340.1502
Annotation	lysine tyrosylquinone
Peak:m/z	Relative Intensity
55.29345	0.8
58.80867	0.7
59.41721	0.8
60.04496	1.0
73.69907	0.7
81.25594	0.8
84.04487	4.1
84.05608	5.0
91.05437	0.8
96.05611	11.1
103.05473	8.6
107.04940	7.5
110.07138	1.7
112.94724	0.9
120.08099	4.9
125.05813	4.1
126.06615	3.3
130.06531	0.9
131.04941	11.3
136.07494	0.9
137.25708	0.8
138.06564	3.7
147.74937	0.9
149.05911	0.9
156.07668	17.2
160.11211	11.1
165.07510	1.0
166.08571	1.6
186.10231	1.4
197.96710	0.9
200.11899	1.0
208.10814	1.2
212.11771	1.3
216.11195	0.9
228.11212	2.1
232.10800	18.2
243.84885	0.8
244.10881	7.3
245.11581	3.5
246.12347	2.0
258.12344	9.5
262.11758	4.7
274.11826	47.0
286.11801	5.6
304.12909	100.0
322.13934	19.0
340.14890	64.4
355.02625	1.2
360.21625	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	340.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47192	0.4
51.69268	0.4
58.06590	1.2
59.87998	0.5
65.30676	0.4
65.89316	0.4
80.48511	0.5
83.29967	0.5
85.17245	0.5
154.06691	0.5
183.52232	0.5
248.13776	1.0
265.08597	0.9
277.08585	2.7
280.13361	2.9
291.10287	0.6
293.10498	0.9
297.10986	0.6
308.12784	8.7
309.09933	6.5
309.13345	1.2
310.10806	6.5
323.11377	0.6
324.12283	79.6
325.13071	66.9
338.13821	0.8
340.15405	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	340.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
62.67407	0.5
64.62946	0.5
70.46768	0.5
77.92233	0.5
89.48216	0.5
104.09570	0.5
143.10582	0.8
160.69855	0.6
179.49898	0.5
215.30363	0.7
277.08481	0.8
280.13245	4.5
293.10437	1.1
308.12744	9.1
309.09952	6.8
309.13324	1.5
310.10645	6.3
323.11639	0.7
324.12283	89.2
325.13058	71.2
338.13766	1.2
340.15411	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	340.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17639	1.0
53.03954	1.6
55.01887	4.7
57.03442	2.7
61.02929	5.3
69.03432	26.7
69.07072	2.6
71.04990	2.1
73.02909	7.1
79.73438	1.1
81.03437	13.0
81.26779	1.1
85.02908	100.0
87.00830	41.3
89.86143	1.1
96.08130	11.7
97.02900	27.8
99.04453	16.3
103.09623	1.3
105.01868	75.5
109.02880	28.7
113.10760	5.6
114.09155	12.1
115.03838	1.6
121.18388	1.3
127.03918	77.6
129.01868	2.1
143.10634	1.8
145.04950	29.6
147.02902	1.4
159.02867	13.5
162.03802	1.4
183.06784	1.2
209.16461	22.8
213.03964	2.2
226.19289	1.4
227.17525	10.0
231.04991	30.9
249.06082	20.9
305.12311	3.0
310.07373	1.4
322.24869	9.3
325.09442	8.1
340.11523	10.2
340.15839	4.9
340.21844	2.6
340.25763	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	340.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01100	1.1
57.03442	6.2
58.48959	1.1
69.03435	42.2
71.05004	13.4
81.03423	30.1
83.01308	1.5
85.02911	51.4
87.00828	32.9
87.04469	5.9
96.68800	1.3
97.02895	69.6
99.04471	33.1
101.02369	1.3
105.01875	28.1
109.02882	10.0
113.66835	1.3
127.03916	100.0
136.06198	5.4
145.04955	64.9
145.06084	2.8
171.02879	1.8
231.04991	47.4
249.06033	56.2
266.08572	1.6
294.07602	7.0
304.94312	1.3
312.64542	1.5
340.08151	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	340.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.1
55.01879	5.1
57.03436	2.2
61.02927	2.1
63.16607	0.7
67.34742	0.6
69.03432	27.6
70.06610	0.8
71.04986	4.8
73.02923	5.1
81.03426	18.5
84.24295	0.8
85.02910	100.0
86.09700	1.8
87.00830	44.6
87.04457	0.9
94.28636	0.9
94.48996	0.8
95.06098	1.1
97.02895	33.2
99.04453	15.1
102.31985	1.1
105.01873	81.9
106.96652	0.9
108.04474	1.1
109.02886	29.3
114.09196	0.9
118.06602	0.9
127.03918	82.1
129.01862	3.7
143.26744	1.0
145.04961	28.4
147.02985	1.7
147.04306	3.0
148.04747	6.9
159.02902	10.5
171.02917	1.4
189.03873	1.5
213.03935	1.4
231.05016	31.3
234.04945	0.9
249.06035	23.5
287.11136	0.9
305.12231	3.8
340.08099	1.7
340.11835	1.9
340.15857	3.6
340.22263	8.6
340.25833	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	340.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	4.7
57.03438	0.6
58.97224	0.6
67.05504	0.9
73.02911	0.8
81.07053	3.7
83.08631	5.1
91.05474	1.1
93.07031	3.8
94.04056	13.1
96.05622	2.6
110.07148	3.0
112.05087	3.8
118.82150	0.8
122.06262	0.7
122.07155	3.4
124.05078	1.7
124.07562	0.8
129.99255	0.7
138.06627	11.8
140.04547	8.0
146.07149	1.5
147.07915	1.1
149.05818	0.8
150.06624	32.8
153.87233	0.7
160.08705	4.3
160.11182	1.7
162.06609	3.4
162.10280	4.6
170.09560	0.8
173.09456	1.1
173.68706	0.8
174.10229	5.7
202.13385	39.0
204.14949	3.1
212.11824	12.4
220.14424	17.7
227.30232	0.7
229.47200	0.7
230.12874	70.2
248.13918	84.9
266.14963	0.9
286.12097	0.7
293.64893	0.8
322.17563	11.1
340.00568	0.7
340.18625	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	340.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30499	1.7
53.78469	1.6
55.05518	7.8
57.03443	3.8
67.05510	2.5
81.07069	2.7
83.08647	2.7
87.04464	12.4
91.05456	2.1
93.07025	3.5
94.04052	18.9
95.89747	2.1
96.08140	2.6
96.58391	2.1
97.67184	2.1
110.07170	4.0
112.05093	4.6
114.09156	11.7
122.07146	2.4
124.07592	10.0
136.08694	2.3
138.06676	14.9
140.04535	8.0
146.17041	2.3
150.06656	36.2
160.08662	2.6
160.11212	2.2
162.06606	2.2
162.10263	3.6
174.10321	3.2
202.13371	49.8
212.11784	16.0
220.14430	22.5
230.12871	81.6
235.20248	2.2
238.99217	2.1
248.13937	100.0
248.16472	5.0
266.14975	4.8
294.12000	2.3
296.11639	6.7
310.09824	3.7
322.17487	31.1
324.11258	14.9
325.12131	12.5
340.14401	43.9
340.18658	98.3
340.22784	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	340.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46959	0.4
55.05517	12.2
57.03441	0.5
57.07037	0.4
61.02939	0.6
61.46449	0.3
62.52409	0.4
69.03435	7.3
69.07063	2.5
70.06580	2.3
71.04984	0.6
73.02936	0.5
73.06551	0.7
81.03418	2.3
83.08611	2.8
84.08139	0.7
85.02910	19.5
86.09697	0.8
87.00819	3.5
96.08114	0.4
97.02907	5.7
97.10171	59.2
99.04457	2.3
105.01881	8.0
107.08612	1.1
109.02893	3.9
114.09159	0.7
119.04932	0.7
120.05279	0.7
120.08113	0.7
125.09626	12.8
127.03915	15.9
134.29404	0.5
143.10675	100.0
145.02910	0.9
145.04938	7.4
146.03180	1.8
147.04384	8.2
148.04730	11.2
159.02849	0.5
161.11737	15.5
177.05449	2.1
178.05769	3.3
209.16483	1.9
211.14261	0.5
227.17628	0.6
231.04987	4.0
249.06015	3.8
322.24954	2.1
323.14386	1.9
324.08441	0.6
325.09372	0.6
340.11130	4.5
340.17102	1.0
340.25946	2.1
342.97943	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	340.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.9
55.05525	19.0
67.05508	6.0
69.03419	9.4
69.07079	6.0
71.64186	1.2
79.05517	1.4
80.39085	1.4
81.03414	1.5
81.07064	6.2
83.08624	28.9
85.02904	15.6
86.09702	8.8
87.04453	1.6
97.02901	3.2
97.10175	83.0
101.20383	1.4
102.50645	1.3
105.07046	1.4
107.08559	10.0
107.73551	1.4
114.09182	10.1
125.09628	100.0
134.66226	1.4
137.05933	1.8
143.10677	73.4
145.02917	1.9
146.03242	1.9
149.09647	6.0
152.05658	9.8
161.11734	27.6
163.44415	1.5
167.10654	3.0
177.05463	2.3
178.05809	6.2
213.69412	1.4
322.16696	1.8
322.20358	2.6
324.08768	1.9
340.11691	9.8
340.19827	6.5
343.66660	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	340.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58861	0.4
53.03952	2.9
55.05502	0.4
63.11553	0.4
67.05518	0.8
69.07130	0.4
70.06280	0.3
70.06601	3.9
71.05000	13.0
80.43547	0.4
81.07071	0.7
88.07638	100.0
93.07042	0.9
95.08580	1.0
104.05729	0.4
105.07001	0.5
107.08623	0.7
109.10191	0.6
135.11732	0.6
135.90482	0.6
145.10220	0.5
159.11679	0.8
183.80952	0.5
221.15356	0.8
253.18138	3.2
253.40504	0.5
273.18536	1.8
291.19571	0.9
322.24097	1.5
340.25043	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	340.2483
Annotation	Tumonoic acid A
Peak:m/z	Relative Intensity
50.47380	5.9
55.05519	34.4
55.52023	5.5
56.96887	7.3
57.03440	6.7
67.05509	60.4
69.03455	9.2
69.07071	62.9
73.41668	7.3
79.05504	11.6
81.07067	81.4
83.04986	100.0
83.08620	42.7
91.05486	17.7
91.17378	7.0
93.07050	47.2
95.08601	37.1
105.07043	32.9
107.04957	7.2
107.08601	42.1
109.10149	88.6
114.09079	9.2
121.10130	16.9
123.11729	16.7
129.54973	8.6
131.08533	15.0
133.10127	100.0
135.11641	8.3
136.27892	8.7
146.57559	6.8
148.31119	7.5
151.11162	63.3
179.10501	10.1
183.13869	30.1
212.23727	10.8
233.89980	10.5
252.89314	7.7
275.90924	14.2
281.26724	15.6
291.19498	8.1
298.29440	11.7
304.26196	9.5
305.21091	34.3
322.27258	17.3
323.22379	12.4
340.28940	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	340.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27094	2.9
51.46080	3.3
54.45718	2.8
55.05515	9.1
57.03436	3.9
67.05514	54.1
69.07062	16.5
71.04995	6.7
79.05501	36.2
81.07058	71.0
81.56891	3.4
83.04988	4.8
83.08608	24.5
85.06537	5.1
88.07672	4.5
91.05460	26.5
93.07046	66.2
95.04980	6.2
95.08612	61.3
97.06520	7.3
97.10178	8.3
98.44060	3.3
99.08097	5.0
105.07011	23.5
107.08603	47.6
108.08894	3.7
109.06480	6.4
109.10152	28.2
111.08079	4.3
117.07072	4.3
119.08567	34.2
121.10139	66.8
123.08047	8.4
123.11730	6.0
125.09687	5.4
126.97169	3.7
127.66619	3.5
129.07021	4.2
131.08557	29.2
133.10120	38.9
135.11684	43.3
143.08566	5.1
145.10109	28.7
145.27652	4.3
147.11700	24.0
149.09586	15.2
149.13213	19.5
151.11205	4.8
152.14899	3.9
157.10143	18.0
159.11674	24.5
161.09598	19.1
161.13219	7.8
163.11165	19.1
171.11659	13.5
173.13226	5.4
175.11211	17.8
180.26962	3.8
185.13248	4.6
189.12721	7.8
195.11728	7.6
211.99266	3.7
212.16542	3.7
227.17944	7.9
237.16394	7.9
245.18980	6.7
255.17403	23.8
263.20135	5.9
272.20108	15.4
273.18408	49.6
277.21674	20.6
287.20029	20.3
290.18237	15.2
290.21207	27.3
291.19598	30.4
305.21036	36.3
305.24380	6.9
308.22180	33.3
322.27335	7.5
323.22208	30.1
340.24969	100.0
340.28775	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	340.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.6
55.05520	3.7
57.03435	6.3
58.77602	1.4
67.05506	33.6
68.80630	1.4
69.03413	1.9
69.07068	10.3
73.06543	1.6
79.05490	9.6
81.07061	39.0
83.04992	19.2
83.08601	2.6
85.06531	6.3
91.05471	25.9
92.21123	3.1
93.07044	26.4
95.04963	3.1
95.08604	8.2
96.44863	1.7
97.06525	3.6
105.07037	27.9
107.08581	37.4
109.06512	3.8
109.10158	63.6
109.50364	1.6
119.08574	7.3
121.10125	1.7
123.08026	1.9
123.11706	17.9
133.06516	1.8
133.10130	100.0
147.11691	2.5
149.09714	1.6
151.09944	2.7
151.11182	78.2
161.09625	2.5
177.09059	2.6
179.10661	12.8
182.91971	1.7
183.13786	40.0
211.13286	2.5
225.87592	1.4
227.17987	1.7
229.14340	13.2
245.19092	2.8
252.89542	2.0
273.18521	8.6
273.36407	1.6
291.19598	14.1
305.21072	13.9
309.56635	1.7
322.27338	1.9
323.22180	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	340.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	0.5
69.07069	4.8
69.25508	0.4
70.06605	0.8
76.05155	0.5
79.05492	1.7
81.07048	0.7
86.09665	0.3
86.23837	0.4
88.84261	0.3
96.08140	16.2
97.06533	0.7
109.06414	0.4
110.07180	0.4
113.10767	3.8
114.09171	100.0
115.07558	1.0
132.10231	2.5
137.06030	0.4
138.06621	0.9
142.92476	0.4
150.06631	0.8
151.78609	0.4
160.07355	0.4
163.45442	0.4
202.13437	0.8
208.18018	0.6
208.82924	0.4
209.16518	7.3
220.14400	1.4
220.53217	0.4
226.19206	2.0
227.17590	2.0
228.15965	4.8
230.12895	1.6
248.13922	2.7
274.22198	0.5
291.93240	0.5
317.12869	0.5
321.26471	1.9
322.24924	4.4
331.25482	4.0
340.18387	6.8
340.25986	15.3
340.76068	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	340.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	0.5
69.07069	4.8
69.25508	0.4
70.06605	0.8
76.05155	0.5
79.05492	1.7
81.07048	0.7
86.09665	0.3
86.23837	0.4
88.84261	0.3
96.08140	16.2
97.06533	0.7
109.06414	0.4
110.07180	0.4
113.10767	3.8
114.09171	100.0
115.07558	1.0
132.10231	2.5
137.06030	0.4
138.06621	0.9
142.92476	0.4
150.06631	0.8
151.78609	0.4
160.07355	0.4
163.45442	0.4
202.13437	0.8
208.18018	0.6
208.82924	0.4
209.16518	7.3
220.14400	1.4
220.53217	0.4
226.19206	2.0
227.17590	2.0
228.15965	4.8
230.12895	1.6
248.13922	2.7
274.22198	0.5
291.93240	0.5
317.12869	0.5
321.26471	1.9
322.24924	4.4
331.25482	4.0
340.18387	6.8
340.25986	15.3
340.76068	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	340.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94631	0.6
61.18384	0.5
69.07061	6.5
73.06551	1.2
79.05501	2.5
90.27713	0.7
96.08131	31.8
96.58769	0.6
97.06541	1.4
104.88469	0.7
113.10777	18.7
114.09163	43.1
115.07532	1.2
129.89899	0.6
130.08612	0.7
130.45656	0.6
131.23930	0.7
150.81032	0.7
208.18031	1.1
209.16475	64.5
210.14899	1.2
226.19138	9.6
227.17535	22.2
228.15991	3.5
320.35199	0.7
322.24896	43.6
340.25925	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2819
Annotation	N-Oleoyl Glycine
Peak:m/z	Relative Intensity
60.35482	0.5
65.01839	0.5
79.05471	0.6
81.07064	1.1
106.40846	0.6
138.06401	0.6
139.45139	0.6
267.23798	0.7
340.28207	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1382
Annotation	5-Deoxykievitone
Peak:m/z	Relative Intensity
50.28524	0.5
55.23996	0.4
62.47993	0.5
64.58234	0.5
70.88700	0.4
75.82155	0.4
87.84180	0.5
89.12045	0.6
91.05499	2.2
94.04197	0.9
101.12184	0.5
105.07025	2.5
107.98392	0.6
109.06517	0.8
114.71591	0.6
119.04946	0.7
119.08593	3.8
121.06475	0.7
122.03636	2.1
125.06036	0.6
128.06178	0.7
129.06992	1.1
132.05772	0.7
133.06461	2.8
133.85258	0.5
137.05980	100.0
137.57344	0.5
143.04916	0.6
145.06523	2.1
146.06010	1.0
147.04424	2.7
147.08031	2.7
149.06003	2.3
151.07489	0.6
153.00508	0.5
154.12242	0.7
155.04903	0.9
155.64288	0.5
157.06467	0.8
159.08034	2.0
160.05133	1.2
161.05972	11.4
163.07520	0.6
171.08026	0.7
172.05301	0.7
175.07535	42.1
177.09132	3.5
179.07065	0.8
185.05869	0.6
187.07552	7.6
189.09094	2.3
190.07544	0.6
191.07089	0.8
191.08527	4.7
199.07529	3.1
203.08603	1.1
217.08548	0.7
218.07242	0.8
219.08034	12.9
231.08049	3.3
234.35912	0.5
236.08311	1.3
243.13704	0.9
247.07489	4.5
248.08186	2.3
251.10666	20.1
259.07495	2.7
260.08380	0.6
261.09137	0.9
263.10666	2.2
264.07794	2.0
276.07712	1.2
277.08652	0.7
279.10110	10.2
281.08167	2.4
291.10104	3.8
296.10358	2.5
308.10373	0.7
309.11230	2.4
311.12769	23.5
323.12805	6.0
323.19476	1.2
331.89911	0.6
341.13901	18.7
345.93658	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03159	0.9
60.53421	1.0
68.84912	0.9
69.07058	1.7
71.04989	1.6
76.64103	1.0
81.07060	1.5
83.08588	1.1
83.74259	1.1
85.06564	1.3
93.07027	1.3
109.06515	1.9
114.09148	1.3
118.55450	1.1
119.26649	1.3
121.10094	1.5
122.03670	1.2
125.09605	1.4
129.06984	4.6
131.04878	1.8
133.02835	1.5
133.06509	1.3
137.05975	100.0
145.38330	1.1
149.06001	2.7
151.07564	5.6
156.05646	1.1
157.06467	1.9
161.05984	5.0
165.05495	2.5
174.06799	5.4
175.07552	22.4
177.05511	5.5
177.09007	1.3
187.07542	28.2
189.09062	10.1
191.08495	1.3
199.07504	4.9
203.08589	8.3
205.08450	1.2
211.07552	12.8
217.08607	10.7
219.08002	5.6
220.08827	2.1
231.08066	12.7
232.08783	2.1
237.09157	1.5
239.06979	10.5
240.07780	5.7
247.07581	5.8
248.08276	10.6
249.09132	1.5
251.10536	7.8
255.06493	6.3
256.07272	5.2
259.07504	7.1
261.09131	1.4
263.10629	15.0
270.08820	22.0
271.09601	25.7
276.07773	13.1
277.08530	2.6
279.10077	11.1
283.09613	7.0
291.10132	36.6
292.10846	2.5
293.08099	5.7
296.10428	5.7
297.10999	2.1
308.10388	2.1
309.11151	1.2
311.12695	14.3
323.12772	35.3
341.13550	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	341.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	7.7
56.04777	2.4
56.05043	48.7
62.60726	1.5
67.05511	25.5
68.29548	1.4
69.07076	2.5
71.04992	1.6
72.04521	2.4
74.05684	3.4
74.06086	80.6
79.05491	14.9
80.05022	22.4
80.37341	1.5
81.07067	15.5
83.04935	1.9
83.08635	2.0
84.04505	1.7
91.05473	9.8
92.05008	7.8
93.07043	14.4
94.06576	3.2
95.08602	9.2
102.05553	21.8
105.07034	3.1
106.06556	11.0
106.38177	1.6
107.08615	2.9
109.06526	1.8
109.10167	10.4
117.07040	3.7
118.06527	2.4
119.08585	2.9
120.06572	43.1
120.08019	2.0
125.09664	1.9
130.04955	1.8
131.08554	3.2
133.10130	2.6
137.05916	1.8
137.09605	2.1
154.11012	2.1
154.12267	60.3
159.11775	1.7
169.02527	1.7
171.14915	20.3
176.14334	10.8
182.79694	1.8
196.24310	1.5
204.13846	8.9
207.07784	1.7
222.14958	2.2
234.09644	1.8
240.15898	8.9
306.17328	5.0
323.19550	2.0
323.23306	3.6
324.18106	25.7
341.20682	100.0
341.24286	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	341.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.9
55.05519	5.8
56.05045	36.7
59.40728	0.7
64.63069	0.8
65.03956	1.2
67.05511	17.0
69.07078	3.6
71.04981	0.8
72.01190	0.8
72.04504	1.3
74.06084	81.4
77.41715	0.8
79.05502	9.3
80.05022	20.5
81.07063	10.0
82.06580	0.8
83.08627	4.0
84.04530	1.2
91.05490	6.5
91.37730	0.8
92.05020	8.5
93.05780	1.3
93.07024	9.1
94.06573	4.7
95.04982	1.6
95.08581	6.8
96.04482	1.2
102.05541	16.0
105.07039	3.7
106.06555	8.5
107.08607	4.1
108.08136	1.1
109.10146	1.7
111.53876	0.8
117.07006	4.0
118.06531	1.6
119.08601	1.2
120.06587	45.9
120.07964	6.6
121.10181	1.7
122.06029	1.0
131.08566	3.6
132.08086	1.0
133.10130	1.0
134.09680	1.7
135.07996	0.8
140.10744	1.2
154.12265	6.3
158.09529	1.0
159.11684	1.1
166.95042	0.8
171.14861	1.4
176.14337	12.3
182.08186	1.1
204.13776	6.6
212.56470	0.8
234.08519	1.0
237.69086	0.9
240.15991	5.6
306.17053	4.7
323.19412	1.3
324.18073	24.4
341.20731	100.0
341.24286	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	341.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.8
55.05510	2.8
56.04775	1.6
56.05043	40.5
57.03430	1.0
64.21986	0.7
67.05220	0.9
67.05513	11.9
68.05029	1.1
69.07060	3.6
71.05000	1.0
72.04494	1.8
74.02431	1.1
74.06082	63.6
77.56376	0.7
79.05495	9.1
80.05020	16.3
81.07067	9.3
82.06584	1.0
83.04991	1.6
83.08638	1.3
84.04527	2.7
91.05475	8.1
92.05035	0.9
93.05807	0.9
93.07039	8.7
94.06554	8.7
95.04965	4.7
95.08622	5.9
96.04496	1.4
97.06537	1.3
97.10183	1.3
102.05553	16.6
105.07028	6.4
106.06558	6.2
107.08615	3.6
108.08157	1.3
109.06521	1.1
109.10178	5.8
117.07024	4.4
119.08543	1.3
120.06578	32.5
120.08109	4.1
121.06480	1.0
121.10146	1.6
129.07024	0.9
130.05025	1.0
131.08589	3.5
132.08139	1.0
133.10115	1.8
134.09637	0.9
135.08081	0.9
136.07562	0.9
137.05984	1.7
143.08557	1.1
146.57932	0.9
147.11694	1.2
152.11887	1.5
152.16649	0.8
154.12225	2.7
159.11703	1.7
176.14275	10.0
177.12741	1.1
182.08012	1.0
204.13760	5.6
222.14905	1.2
229.14366	1.3
240.15984	6.6
291.56485	0.9
299.70169	1.0
305.17654	1.1
306.17065	4.1
323.18872	1.7
324.18112	17.0
341.20706	100.0
341.24585	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	341.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.9
56.05042	5.5
60.79358	0.3
66.43319	0.3
67.05508	2.4
69.07076	3.1
79.05499	0.7
81.07053	0.4
83.08607	1.1
91.05495	1.4
93.07022	1.2
95.08606	1.9
97.10172	3.1
106.97518	0.2
107.08585	1.1
109.10165	10.2
109.68652	0.3
111.08079	0.4
111.11726	1.6
119.08588	2.5
124.11246	1.4
125.09636	4.1
126.12785	0.4
136.11234	1.8
137.05988	1.0
137.09599	3.6
142.12228	0.3
152.10727	0.4
153.13884	2.9
154.12271	100.0
155.10753	0.4
168.13910	0.4
170.11710	2.0
171.14925	42.0
172.13322	1.6
173.11743	0.3
187.07588	0.4
188.12802	0.4
189.11192	0.3
305.22232	3.6
306.20587	2.3
313.11618	0.4
323.23318	13.6
324.21741	1.8
338.26266	0.3
341.13620	0.4
341.24347	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	341.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40140	0.7
55.05521	1.0
57.72296	0.6
60.53240	0.6
65.77034	0.7
67.05503	7.6
69.07075	3.3
79.05499	6.8
81.07062	8.7
81.86281	0.7
83.04996	0.9
83.08619	4.8
84.26065	0.7
85.06561	1.3
88.64438	0.7
91.05488	10.8
93.07056	10.2
95.04950	1.1
95.08611	9.9
96.08124	0.7
97.06527	3.2
97.10166	3.1
99.08086	1.5
100.07562	0.8
105.07039	5.4
107.04974	4.4
107.08600	6.8
109.06480	0.9
109.10159	6.5
110.76424	0.7
111.04482	0.9
111.08080	3.9
112.07587	1.0
117.07022	8.0
119.08565	10.1
121.06481	5.1
121.10152	13.0
123.08054	3.0
123.11758	1.0
125.06059	0.7
125.09634	3.8
126.09140	1.0
129.06984	2.8
131.08571	11.2
133.06487	0.8
133.10133	13.3
135.08058	15.4
135.11703	8.7
137.05971	3.3
137.09602	3.6
139.07571	3.6
140.10713	1.1
142.08630	1.4
143.08554	4.4
145.10124	17.0
147.08054	4.6
147.11707	9.2
149.09619	23.5
149.10812	1.0
149.13275	3.7
151.11209	3.2
153.09084	1.6
154.12267	3.6
155.08607	0.9
157.10114	4.7
159.11696	23.0
161.09593	5.3
161.13301	1.3
163.11172	12.6
164.10695	0.8
165.09061	1.0
165.12747	1.0
169.10129	1.7
175.11154	1.1
177.12756	6.8
183.11665	3.1
187.07602	1.4
197.13217	0.8
199.14891	1.0
201.16397	8.5
215.14310	2.9
215.17932	8.4
216.67548	0.8
219.17352	0.9
225.16391	23.0
233.19095	6.2
242.18907	0.8
243.17433	21.0
260.20102	12.7
261.18478	57.7
271.57690	0.8
277.22803	3.2
278.21158	23.8
288.19565	3.7
295.23798	100.0
305.22266	8.3
311.12759	0.8
321.98862	0.7
323.23291	51.4
324.21680	2.8
341.13779	3.1
341.24411	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	341.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.0
56.05041	6.5
67.05505	3.4
69.07063	3.1
70.06576	0.5
71.09316	0.5
79.05479	0.5
81.07053	1.7
81.95712	0.4
82.67321	0.4
83.08624	0.8
91.05512	1.0
93.07038	0.9
95.08598	2.2
97.10186	3.9
107.08582	2.2
109.10155	10.1
111.11746	1.1
112.07616	0.5
119.08561	2.4
124.11215	1.0
125.09639	3.9
135.08040	0.6
136.11212	1.7
137.06006	4.5
137.09634	4.8
153.13829	2.6
154.12267	100.0
161.05989	0.7
170.11780	2.7
171.14919	40.3
171.47844	0.5
172.13319	0.8
173.11705	0.8
175.07568	2.5
248.08481	0.7
261.18497	0.5
279.10141	0.6
304.01764	0.5
305.22198	4.4
306.20605	2.3
311.12686	1.6
317.84814	0.4
323.23300	13.1
324.21695	2.1
341.13690	0.6
341.24368	19.5
341.28473	0.7
352.04675	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	341.243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76091	0.5
52.99232	0.5
55.05517	1.1
56.05038	5.4
62.24051	0.5
65.42891	0.5
67.05518	2.5
69.07069	3.9
70.22110	0.5
79.05487	1.0
79.48621	0.5
81.07073	1.3
83.08634	0.9
86.00681	0.6
89.56626	0.6
91.05492	1.0
95.08604	1.4
97.10175	4.1
105.56818	0.6
107.08630	1.0
109.10175	9.4
111.11723	2.4
119.08625	1.2
124.11226	1.0
125.09593	4.8
133.06503	0.7
136.11226	1.0
137.05963	4.4
137.09645	3.8
149.09615	1.0
153.13895	2.7
154.12277	100.0
161.06023	1.3
168.13821	0.8
170.11774	1.4
171.14928	41.0
175.07504	1.0
178.91805	0.7
251.10617	0.7
305.22275	4.1
306.20483	1.3
309.11234	0.7
323.23346	11.3
324.21820	1.0
341.14374	4.3
341.24384	20.7
353.99609	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.4
55.05514	4.8
57.07052	2.8
59.91849	2.1
60.06792	2.2
66.09551	2.7
67.05502	18.7
69.07062	12.5
70.91759	2.2
79.05477	19.5
81.07063	21.5
83.08614	14.2
91.05491	27.0
91.46761	2.9
92.21550	3.1
93.07041	17.5
95.04961	6.4
95.08588	18.1
96.08128	5.3
97.06513	14.3
98.06023	2.7
100.07595	3.5
101.67500	2.7
105.07016	16.3
107.04951	3.5
107.08585	14.4
109.06507	9.8
109.10117	11.5
111.08047	4.8
114.09163	53.9
115.09475	6.3
117.07001	14.8
117.37183	2.4
119.08585	29.8
121.06470	6.0
121.10138	14.3
122.72002	2.8
123.08080	4.0
125.05979	3.4
126.09119	2.8
128.10681	3.0
129.06966	6.7
131.08569	40.8
133.10123	36.2
135.08054	6.3
135.11711	2.7
137.05972	51.1
137.09619	4.0
141.07001	4.9
143.08539	12.9
144.72150	2.9
144.84088	2.6
145.10109	59.5
147.08031	10.2
147.11670	15.5
148.22720	2.7
149.09602	15.1
149.13324	3.2
151.11179	4.8
154.12199	3.4
155.08542	6.5
157.10110	17.8
159.08009	14.1
159.11688	29.8
161.05928	4.6
161.09610	19.7
163.11151	14.3
167.06929	3.2
169.10088	24.4
171.07867	3.6
171.11705	6.8
173.09639	36.7
175.07478	6.0
175.11218	10.8
177.09108	3.8
177.12772	3.1
183.11621	11.9
187.07530	5.5
187.11215	19.1
189.09030	5.5
190.12294	3.6
191.10696	13.1
201.16484	3.2
205.12195	3.9
208.13188	3.3
208.16792	5.9
209.13385	3.5
209.16554	4.0
211.14832	11.3
215.17984	5.6
217.22768	2.6
218.10725	3.0
219.07925	3.4
221.09689	4.0
225.16370	34.2
229.15988	3.5
233.18858	4.6
235.14766	6.5
242.18991	6.5
243.17363	29.7
246.18314	3.9
247.16885	18.7
251.10587	10.9
253.15811	31.1
259.07266	3.4
260.20132	6.0
261.18463	28.3
263.10748	4.2
270.18478	14.6
271.16895	51.2
277.08401	3.0
288.19565	53.8
289.17923	64.3
291.10092	3.9
295.09482	3.5
305.22131	17.9
306.20630	100.0
311.12732	10.5
323.23273	79.6
341.13705	25.8
341.26385	6.2
354.90030	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	341.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	4.9
56.05034	2.0
57.03426	1.2
57.74118	1.2
60.79671	1.1
67.05510	25.2
69.07068	11.9
72.93087	1.3
75.54081	1.0
79.05494	6.7
81.07062	42.0
83.08633	18.7
85.06564	2.2
90.75489	1.2
91.05489	6.5
93.07044	14.2
95.08615	48.2
97.06539	2.6
97.10180	7.8
98.97634	1.8
100.07659	1.5
105.07047	5.0
107.08603	13.7
109.06495	1.9
109.10165	26.6
110.09686	3.0
111.08070	2.7
111.11713	2.1
114.09162	1.3
119.08562	6.7
121.10151	9.7
123.08118	1.5
123.11684	10.5
125.09621	3.0
129.32529	1.1
131.08559	5.0
133.10149	7.6
135.11736	10.9
137.06004	2.7
137.13177	1.3
138.09164	3.0
139.07523	8.8
145.10138	6.2
147.11674	9.4
149.09517	1.1
149.13269	18.9
151.11230	1.5
151.14825	1.1
154.12271	39.1
154.13434	1.8
156.10211	4.6
158.99704	1.8
159.11714	6.3
161.13268	8.3
163.14745	2.5
166.15921	5.6
167.14317	2.3
171.14928	12.2
173.01190	1.5
173.13258	1.9
175.07614	2.0
175.14885	2.4
195.13841	2.9
212.16397	8.5
243.21040	1.9
260.23792	8.9
261.22098	11.9
263.23792	2.2
271.20627	2.3
278.24792	5.5
279.23242	2.3
280.26279	5.9
288.23151	1.9
289.21606	19.7
306.24289	8.2
307.22662	8.5
323.23322	4.9
323.26974	2.1
324.21515	2.8
324.25330	73.1
341.24521	6.5
341.28009	100.0
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
55.05515	4.9
56.05034	2.0
57.03426	1.2
57.74118	1.2
60.79671	1.1
67.05510	25.2
69.07068	11.9
72.93087	1.3
75.54081	1.0
79.05494	6.7
81.07062	42.0
83.08633	18.7
85.06564	2.2
90.75489	1.2
91.05489	6.5
93.07044	14.2
95.08615	48.2
97.06539	2.6
97.10180	7.8
98.97634	1.8
100.07659	1.5
105.07047	5.0
107.08603	13.7
109.06495	1.9
109.10165	26.6
110.09686	3.0
111.08070	2.7
111.11713	2.1
114.09162	1.3
119.08562	6.7
121.10151	9.7
123.08118	1.5
123.11684	10.5
125.09621	3.0
129.32529	1.1
131.08559	5.0
133.10149	7.6
135.11736	10.9
137.06004	2.7
137.13177	1.3
138.09164	3.0
139.07523	8.8
145.10138	6.2
147.11674	9.4
149.09517	1.1
149.13269	18.9
151.11230	1.5
151.14825	1.1
154.12271	39.1
154.13434	1.8
156.10211	4.6
158.99704	1.8
159.11714	6.3
161.13268	8.3
163.14745	2.5
166.15921	5.6
167.14317	2.3
171.14928	12.2
173.01190	1.5
173.13258	1.9
175.07614	2.0
175.14885	2.4
195.13841	2.9
212.16397	8.5
243.21040	1.9
260.23792	8.9
261.22098	11.9
263.23792	2.2
271.20627	2.3
278.24792	5.5
279.23242	2.3
280.26279	5.9
288.23151	1.9
289.21606	19.7
306.24289	8.2
307.22662	8.5
323.23322	4.9
323.26974	2.1
324.21515	2.8
324.25330	73.1
341.24521	6.5
341.28009	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	11.4
57.03438	14.0
57.06824	3.6
57.07081	70.1
67.05499	23.1
69.07076	24.9
71.04996	22.0
71.08632	39.7
72.69242	2.4
79.05486	11.8
81.07055	43.3
83.08620	19.7
83.56085	2.3
84.00100	2.8
85.06541	10.7
85.10187	30.1
91.05463	3.9
93.07035	53.5
95.04987	3.8
95.08611	91.2
97.10151	15.6
100.90938	2.5
105.07011	19.6
107.08602	50.2
109.06519	5.7
109.10155	54.9
111.08086	18.5
113.09647	4.2
119.08542	35.0
121.10142	45.3
123.11671	21.8
125.09633	3.0
131.08536	5.4
133.10150	24.9
135.11682	46.1
137.09618	4.5
137.13272	5.2
145.10114	21.0
147.11702	27.9
149.09625	3.1
149.13278	27.2
151.11198	3.9
154.12250	4.5
157.10120	6.0
159.11650	26.6
161.13187	21.2
163.14799	15.3
165.75407	3.2
169.11555	5.0
171.11670	5.0
173.13260	17.8
175.14812	15.8
185.13277	6.0
187.14790	21.1
189.16423	6.8
191.17917	58.5
199.14844	6.0
201.16357	10.9
203.17931	5.6
213.16277	4.5
215.17963	6.0
217.19444	3.9
225.16454	3.7
227.17934	5.2
229.19505	6.7
241.19554	4.0
253.19557	4.1
257.22525	19.4
267.21024	3.7
271.24088	4.7
283.24243	41.1
323.27286	35.3
341.28119	73.8
341.30524	100.0
341.75473	2.9
343.73251	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	341.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44281	0.9
52.32664	1.0
55.01878	1.8
55.05521	2.1
57.03431	1.5
57.07074	2.2
67.05504	11.4
67.20237	1.1
69.07062	15.3
71.04976	1.4
79.05499	2.7
81.07063	14.3
83.08619	10.2
83.55509	1.2
87.21771	1.3
88.85469	1.2
91.05487	1.7
92.21609	2.5
93.07035	8.8
95.08591	11.1
97.06539	1.8
97.10184	2.7
103.89658	1.2
107.08593	9.0
109.10181	11.5
111.08097	1.7
119.08540	1.6
121.10146	7.3
123.11690	2.4
133.10057	1.4
135.11688	12.8
137.13271	2.1
138.52217	1.2
147.11685	1.5
149.09616	1.8
149.13245	2.3
153.12749	19.2
233.22665	2.5
249.22063	2.4
251.23546	1.5
261.22198	1.9
279.23181	28.0
296.25845	100.0
330.56110	1.4
341.20670	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	341.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83603	1.3
55.05521	4.2
55.51046	1.5
57.07076	15.8
67.05502	14.1
69.07078	13.2
69.61018	1.5
76.93592	1.6
79.02937	1.4
79.05496	8.8
81.07071	18.2
81.53912	1.6
83.08608	12.6
83.26802	1.8
93.07047	10.6
95.08610	21.4
96.08909	1.8
97.10163	3.1
101.16534	1.5
105.07059	3.3
107.08582	14.2
109.10182	7.9
111.08104	1.5
113.83753	2.0
119.08589	2.9
121.10158	17.6
123.08138	1.9
123.11668	2.4
127.11176	7.9
133.29845	1.9
135.11693	14.0
137.13306	1.8
149.13300	3.3
151.14827	2.5
156.10274	1.8
167.14346	6.7
169.12257	7.1
215.05469	1.6
233.22627	7.0
243.20923	2.3
261.22186	3.6
279.23163	14.3
282.26816	2.8
290.98758	1.8
296.25833	100.0
306.25140	2.0
341.30893	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	342.097
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06602	2.3
59.05001	1.6
70.06590	4.1
71.46983	0.3
72.04501	0.3
72.08168	0.4
76.05116	0.4
79.05531	0.3
86.09707	2.2
89.06020	1.7
103.07590	0.4
120.08147	0.4
126.09145	0.4
130.08652	1.3
144.10204	0.3
147.63132	0.3
176.64131	0.3
192.10207	1.5
200.58331	0.3
211.14365	0.4
224.07079	1.3
265.08609	1.2
282.08716	0.4
284.09119	0.4
297.11151	1.4
301.07220	0.4
310.71918	0.3
312.08676	0.5
314.10190	3.5
325.22131	1.2
327.07446	2.9
342.09714	100.0
342.16736	4.4
342.23398	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	342.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87009	0.5
53.34686	0.6
58.06596	0.8
64.37942	0.6
70.06582	4.5
76.05145	1.6
81.07067	0.7
86.09724	1.6
95.08621	0.7
109.10140	0.9
118.05017	0.7
177.09813	1.3
182.68286	0.7
185.22046	0.8
189.07860	3.0
219.77226	0.7
243.03319	0.8
245.04636	1.4
266.07904	1.0
278.08102	1.2
281.10385	3.3
288.85974	0.7
292.09695	13.2
294.07712	4.6
301.07224	1.3
309.09903	11.3
310.10715	32.7
310.17392	0.7
312.08667	9.0
326.10095	1.0
327.10980	17.2
334.10678	0.9
342.13333	100.0
342.20245	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	342.1562
Annotation	His-Trp
Peak:m/z	Relative Intensity
52.13307	0.4
56.05034	0.5
58.58092	0.4
69.07052	0.5
70.06601	5.9
72.04545	0.4
72.08157	2.7
74.06102	0.5
76.05115	0.5
83.06110	5.9
84.04533	0.9
84.08145	3.2
85.02916	0.7
86.06078	0.9
86.09706	1.8
93.04524	2.9
96.05634	0.5
110.07170	100.0
110.21830	0.4
116.08223	0.5
129.10201	0.6
130.06546	0.6
136.07619	0.7
136.08672	0.6
138.06644	2.0
146.05940	0.7
152.08211	1.1
152.15773	0.4
156.07681	5.0
156.11331	0.9
159.09169	3.3
165.07729	1.0
169.07648	1.0
183.21805	0.4
188.07074	2.5
195.08830	1.9
205.09566	0.8
229.11740	0.5
231.13237	0.5
239.52727	0.5
253.12865	0.5
257.16013	2.7
273.18445	0.5
296.14963	1.9
324.14520	5.3
342.15427	24.2
342.21518	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	342.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56024	0.4
52.13755	0.3
55.53896	0.3
55.68103	0.3
58.06604	0.7
60.27520	0.3
61.18211	0.3
63.07864	0.3
70.06586	0.6
72.08175	0.8
86.09688	0.6
89.18285	0.4
96.36231	0.4
105.03135	0.3
109.10156	0.6
113.74974	0.4
114.09134	0.5
137.06029	0.5
137.09375	0.4
154.12242	0.7
165.43031	0.4
184.69908	0.4
195.19350	0.4
248.19543	0.4
288.29099	0.4
292.15347	0.8
294.11285	0.5
298.14230	0.6
310.14316	30.4
312.12247	11.7
324.18042	2.0
326.13864	5.4
327.14621	33.1
342.16962	100.0
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	Cularine
Peak:m/z	Relative Intensity
57.03422	0.2
58.06587	1.2
59.04983	1.3
59.17896	0.3
69.03433	0.5
69.07043	0.3
70.06235	0.4
70.06593	8.8
81.07039	0.4
81.95438	0.2
84.08128	0.3
85.02900	1.2
86.09715	2.2
89.05996	1.1
92.21246	0.7
93.07027	0.3
103.07597	0.4
112.07590	0.5
114.09194	0.5
117.99036	0.2
137.05957	0.6
144.86906	0.3
147.04436	0.5
151.07579	0.5
159.66818	0.3
162.03708	4.5
165.11613	0.3
177.07852	2.0
178.08688	1.4
180.04759	3.4
183.14937	1.6
190.08679	2.6
192.10187	100.0
193.12315	0.3
211.14417	1.7
229.15422	1.5
237.09135	0.3
265.08633	0.7
297.11249	0.6
306.20618	0.4
324.21884	0.5
325.21890	0.5
342.16977	64.7
342.22906	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	342.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76744	0.3
58.06596	0.3
65.61008	0.3
69.20494	0.3
70.06593	0.5
72.16982	0.3
102.79949	0.3
114.09154	1.7
137.06052	0.4
154.12318	0.4
205.10913	0.5
290.95996	0.3
294.11234	0.5
296.12775	0.5
298.14313	0.5
310.14346	34.5
312.12302	12.1
312.20673	0.3
324.18231	0.6
326.13812	5.3
327.14648	34.2
342.16974	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	342.1697
Annotation	Cularine
Peak:m/z	Relative Intensity
58.06607	66.7
61.55596	0.8
63.03706	1.0
65.19916	0.8
73.26225	0.9
86.09695	4.6
96.36872	0.9
116.07094	1.3
205.06268	1.5
207.08020	1.6
209.09624	1.5
219.08078	2.4
222.06819	4.8
227.17633	1.2
233.06029	1.3
235.07597	2.0
237.09116	11.7
255.10120	1.5
265.08585	47.4
267.06180	1.1
279.10062	1.6
282.08856	17.7
284.10495	1.9
297.11227	43.5
299.12729	4.8
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	342.1699
Annotation	Cularine
Peak:m/z	Relative Intensity
58.06607	69.2
85.40846	0.6
105.75063	0.6
131.58789	0.8
135.85519	0.7
191.08466	1.3
205.06528	0.9
207.08043	1.3
209.09612	1.2
219.08035	4.4
222.06755	3.1
235.07443	2.5
237.09097	10.9
247.07501	1.6
255.10028	0.8
265.08585	48.4
266.09286	1.0
267.10144	1.0
279.10129	1.4
282.08862	14.0
284.10345	1.2
297.11206	41.0
299.12769	5.0
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	Unknow
Peak:m/z	Relative Intensity
52.70099	0.3
53.05795	0.2
58.06602	4.1
59.04993	1.1
69.07081	0.4
70.06595	17.1
71.56181	0.3
72.08160	1.1
84.08144	0.5
86.09709	5.9
87.77488	0.3
88.07629	1.2
89.06039	0.3
103.96877	0.3
114.09176	0.3
116.38581	0.3
121.86594	0.3
129.10245	0.3
130.08627	2.7
132.10220	0.5
137.06018	0.5
151.07521	0.5
156.10263	0.3
177.07796	2.1
178.08542	0.3
183.14902	3.5
190.08669	2.8
192.10190	100.0
211.14438	2.2
229.15482	0.5
230.14584	0.4
237.09071	0.5
245.18706	0.5
246.04494	0.3
251.10670	0.3
265.08688	2.6
267.18228	0.3
280.06042	2.5
282.08707	0.4
297.11136	2.5
299.12515	0.3
308.05682	2.3
309.06299	1.9
324.08817	3.2
324.12283	0.5
325.22141	0.7
327.14450	0.4
335.62344	0.3
342.09924	3.1
342.16949	66.8
342.22998	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	342.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59916	0.5
57.03440	3.6
59.34304	0.5
61.02921	0.9
65.00301	0.5
66.30969	0.5
69.03449	1.1
70.06587	5.0
71.05014	0.7
71.08626	1.1
73.89760	0.6
74.06056	0.7
79.04517	0.5
80.16696	0.5
81.07060	1.2
83.06107	7.2
84.04498	0.9
84.08131	2.4
84.33556	0.6
85.02913	9.8
86.09715	1.1
93.04537	2.8
97.02853	2.4
99.04472	0.8
99.08102	11.8
109.06498	1.1
110.07170	100.0
117.09132	68.7
119.03439	0.9
127.03911	2.8
127.07564	3.8
129.10208	0.9
138.06636	2.5
145.04996	0.9
147.78485	0.6
151.76102	0.6
156.07690	4.4
159.09198	2.7
162.12802	0.7
163.09650	14.8
163.12521	0.7
165.07616	0.7
169.07591	1.1
180.13876	2.0
188.07109	2.6
195.08763	1.3
205.09833	0.7
234.98682	0.6
251.85620	0.6
263.70184	0.6
296.15323	1.0
324.14600	5.3
342.06308	1.2
342.11435	1.1
342.15552	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	342.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47109	0.9
57.03434	5.2
57.51114	1.3
61.02935	1.8
64.24149	1.3
65.02933	1.0
69.03434	6.2
70.06590	18.3
71.04996	1.9
71.08648	1.9
72.08173	1.9
81.03438	2.0
82.06623	1.2
84.08147	15.4
85.02908	19.3
86.09713	1.7
88.18955	1.2
97.02888	4.7
99.08091	17.7
100.07613	17.0
101.25607	1.1
101.29101	1.3
109.06515	2.3
110.07184	1.9
111.06688	2.0
112.05070	2.6
115.03911	1.4
116.07133	1.4
117.09129	93.4
120.08104	1.3
127.03944	3.0
127.07542	2.6
127.92326	1.6
129.10251	11.4
132.06592	1.9
141.10278	2.1
145.04951	2.3
147.04440	5.4
156.07690	1.7
162.09155	1.9
162.12782	6.6
163.08549	1.8
163.09683	21.4
164.09009	2.7
166.08600	2.0
179.08188	1.3
180.06558	1.9
180.10167	5.1
180.13860	4.5
183.14894	2.0
193.10849	50.0
207.07617	2.1
208.07956	6.4
210.13498	100.0
229.09650	1.5
229.11816	6.4
282.13361	2.1
298.14792	4.8
313.04803	1.5
324.12219	1.6
324.15964	1.5
341.56177	1.2
342.10403	1.0
342.13922	15.1
342.17749	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	342.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44139	1.1
55.05525	2.3
56.05026	1.8
56.64709	1.3
57.03411	1.6
58.06607	1.5
60.05645	1.7
65.20340	1.1
69.03420	2.0
70.06587	7.6
71.05013	1.4
72.08146	6.2
76.05116	2.8
81.07048	1.5
83.08598	2.1
84.04488	1.4
84.08144	3.4
85.02908	1.7
86.09698	13.1
87.04440	1.6
92.04131	1.3
95.06087	6.6
97.34838	1.3
98.07185	3.2
110.07172	55.9
112.08721	5.7
132.10097	1.4
138.12740	1.2
156.07684	16.9
178.09729	2.6
183.11174	2.2
206.09334	1.4
250.15370	5.0
251.17561	2.2
252.09052	1.7
268.17670	1.4
271.53818	1.6
278.18674	2.1
296.19720	33.0
342.09744	15.9
342.20236	100.0
347.15512	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	342.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01358	0.9
54.44390	0.8
55.05511	1.9
56.05043	2.0
56.75755	0.9
58.98738	0.7
64.33379	0.8
67.05504	2.4
69.07074	2.2
70.02966	10.3
70.06608	11.1
72.08165	8.2
75.84085	1.0
81.07077	6.5
83.08602	4.5
84.08125	2.3
85.98640	1.1
86.09710	7.3
87.05604	9.2
88.03968	1.3
89.07153	1.3
93.07072	1.7
95.08617	7.1
96.04502	2.4
108.04469	4.0
109.10184	4.8
110.09695	1.1
122.47306	0.9
130.08633	23.3
133.06079	27.7
133.10132	1.3
133.35558	1.0
137.03020	1.0
137.05975	7.7
138.06297	5.4
147.11615	1.3
154.04924	1.2
161.51483	1.0
163.97528	1.0
175.14787	1.3
176.07932	1.5
192.17511	5.9
194.19083	1.1
208.16980	2.2
209.20216	1.2
210.18527	100.0
217.25223	1.1
219.29164	1.2
220.16905	3.7
222.18550	6.6
227.21255	4.0
228.19592	4.8
234.18527	14.9
236.20088	16.3
238.18004	2.3
239.21196	4.5
252.10970	1.1
253.22708	6.4
256.47797	1.1
261.19656	2.2
262.18030	78.8
264.19543	3.9
266.17523	1.7
266.58002	1.3
279.20602	8.5
280.19144	10.8
292.10272	1.1
298.24957	2.1
312.13354	1.1
324.13049	1.7
342.14145	4.6
342.23874	92.8
346.97134	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	342.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27160	0.3
58.06609	1.7
61.56966	0.4
69.07073	0.4
70.06597	100.0
71.59208	0.4
74.72002	0.3
86.09708	20.8
87.50853	0.4
96.58757	0.4
98.06040	0.9
112.07584	0.5
132.10196	1.5
137.55179	0.4
138.06252	0.4
155.11780	0.5
183.14929	20.7
208.13422	0.4
211.14417	15.2
229.15460	18.7
245.18591	1.7
265.08713	1.5
288.19662	0.5
297.11243	0.8
299.31204	0.4
306.20670	0.4
308.46304	0.4
324.22107	0.6
326.13263	0.8
327.13776	0.8
332.62854	0.4
342.17175	7.8
342.23840	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	342.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06604	4.5
58.65794	0.4
60.04545	0.3
65.32310	0.4
70.06235	0.7
70.06599	17.1
71.95563	0.4
72.08153	0.8
77.47201	0.5
79.39972	0.4
84.08160	0.7
86.09711	100.0
97.55741	0.4
98.48681	0.4
116.07098	74.2
125.01450	0.4
137.05989	0.7
139.07002	0.4
139.24261	0.4
199.18065	15.6
227.17525	18.5
229.15501	2.4
233.90973	0.4
237.09113	0.5
265.08643	2.8
282.09061	1.8
297.11298	2.3
342.17184	6.0
342.23590	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	342.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75630	0.2
56.05037	0.5
58.06606	67.0
61.17852	0.2
64.39684	0.3
68.55066	0.3
69.07064	1.8
70.06594	12.8
70.29070	0.3
72.08150	1.4
74.35846	0.3
76.05110	0.3
84.08147	0.4
86.09705	87.0
87.05607	0.3
89.44083	0.3
105.29507	0.3
110.07172	0.4
116.07088	55.9
125.21268	0.3
129.07286	0.3
145.38675	0.3
148.41719	0.3
165.06999	0.4
181.10214	0.5
183.95128	0.3
191.08557	2.6
192.69054	0.3
194.07172	0.4
199.18048	14.0
205.06474	0.7
207.08046	2.2
208.08846	0.4
209.09538	2.4
219.08026	4.2
222.06746	1.9
227.17522	20.3
229.15417	3.1
233.06015	1.2
235.07541	1.8
237.09077	11.9
239.10645	0.3
247.07475	2.7
250.06233	0.7
251.10646	0.3
255.10109	0.6
262.14081	0.4
265.08566	48.1
266.09363	0.6
267.06555	0.4
267.10144	1.5
269.11673	0.5
271.09647	0.3
279.10135	2.3
282.08841	15.5
284.10376	1.9
297.11191	42.5
299.12762	5.7
342.16974	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	342.2388
Annotation	Pro Leu Ile
Peak:m/z	Relative Intensity
56.68287	0.3
69.07084	0.4
70.06596	100.0
72.08160	1.4
79.79489	0.3
86.09711	26.2
87.04320	0.3
90.54477	0.3
92.20966	0.4
96.97778	0.3
98.06058	0.4
114.09162	0.5
126.05506	0.4
132.10231	1.9
137.05994	1.6
138.06351	0.4
144.08118	0.6
145.08452	0.7
162.09166	0.4
163.09497	0.7
176.07936	0.3
183.11368	0.6
183.14920	25.5
211.14423	19.6
229.15466	13.1
245.18649	1.8
265.08459	0.4
324.08966	0.4
326.13486	0.4
342.09827	0.6
342.16901	2.2
342.23856	26.9
345.87820	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	342.2635
Annotation	O-[(5Z)-dodecenoyl]carnitine
Peak:m/z	Relative Intensity
55.01884	3.5
55.05509	12.3
55.45552	2.2
57.03436	2.9
57.25926	2.3
67.05513	47.7
67.21345	2.7
69.07069	27.6
72.08191	2.6
77.22508	2.6
79.05511	21.7
81.07063	100.0
83.05003	4.9
83.08638	21.7
85.06534	4.4
91.05473	17.1
93.07043	54.0
95.08600	34.9
97.06510	18.0
97.10162	18.1
105.07034	21.8
107.08585	44.0
109.06528	6.9
109.10159	19.2
111.08079	5.3
117.07018	7.2
119.08552	19.9
121.06507	3.8
121.10139	21.9
123.08064	5.3
125.09644	15.3
131.08560	11.5
133.10143	27.1
135.11691	17.5
137.09589	4.1
144.83914	2.7
145.10129	6.3
147.11711	15.9
149.09656	4.2
149.13260	30.7
152.20450	2.9
159.11696	25.4
161.13251	6.0
162.02946	2.8
163.11186	4.5
167.14281	2.9
167.91496	2.9
177.12733	14.7
182.15443	3.2
195.13852	32.1
203.12810	11.6
210.14960	4.5
213.14992	10.1
215.14439	3.2
224.16399	5.9
227.16441	33.6
247.20609	3.2
257.18936	11.8
275.20135	40.4
289.21552	13.2
301.07053	12.2
307.22769	26.2
307.25824	3.7
342.22388	4.0
342.26425	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	342.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	14.5
55.05517	35.8
57.03434	7.2
67.05510	86.4
69.07070	82.0
71.04990	27.0
71.38712	5.3
76.52969	5.8
79.05492	80.1
81.03424	9.8
81.07057	91.1
83.04977	9.5
83.08620	40.4
85.06545	11.7
91.05479	76.2
93.07037	96.1
93.30701	6.0
95.04974	32.0
95.08615	100.0
97.06525	36.7
97.10146	13.4
99.08043	6.6
105.07043	78.0
107.04983	11.5
107.08585	55.0
109.06515	48.6
109.10132	30.5
111.08068	45.7
115.07581	9.8
117.07007	13.6
119.08572	92.2
121.06466	11.9
121.10133	52.4
123.08075	30.2
123.11712	7.9
125.69620	5.7
129.06981	29.2
131.08524	57.0
133.10120	51.5
135.08032	11.9
135.11681	21.7
137.09593	8.6
139.11131	8.0
143.08551	9.6
145.10158	45.3
147.11681	55.8
149.09671	22.0
157.10141	12.9
159.11665	29.1
161.13255	49.9
163.11290	7.7
165.12737	8.6
169.10155	6.7
171.11650	41.7
173.13263	13.1
189.12730	35.6
197.13080	7.4
207.13768	41.5
221.15334	9.2
223.16791	8.5
225.15015	6.7
233.15387	24.0
233.22156	8.0
265.18146	9.9
275.20056	40.7
289.21375	7.1
307.22787	23.5
308.39716	6.1
350.31165	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	342.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	63.4
55.05518	45.6
56.63529	3.0
57.03441	8.1
57.07075	30.0
60.04515	20.5
67.05513	57.7
69.07079	32.4
71.04961	3.5
71.08631	18.7
79.05496	26.5
81.03419	4.8
81.07061	79.0
83.04984	17.4
83.08636	26.5
85.06532	5.3
85.10177	5.6
88.07626	6.8
91.05486	34.5
93.07047	43.6
93.52866	3.2
95.04954	17.6
95.08605	58.9
97.06529	8.7
97.10182	25.5
105.07010	27.9
107.04934	8.3
107.08583	50.6
109.06522	6.2
109.10152	73.1
113.09681	3.8
117.07003	6.6
119.08586	28.0
121.10130	20.5
123.08079	17.6
123.11710	27.0
125.09630	100.0
127.11286	3.6
131.08563	17.2
133.10127	94.6
135.11688	8.3
137.09633	16.0
145.10162	15.4
149.09644	8.0
151.11183	71.8
159.11713	7.0
163.11151	15.2
165.09059	4.7
177.12712	7.1
179.10588	6.8
183.13773	39.5
191.14224	5.0
211.13295	7.9
229.14281	8.3
247.20517	4.3
257.19034	8.6
275.20035	73.5
280.26392	4.0
293.21143	33.0
298.27765	5.7
307.22662	70.1
324.28741	4.4
325.23627	6.0
342.30634	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	342.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87906	3.2
55.01883	61.7
55.05524	44.8
57.03439	5.3
57.07087	3.5
58.70530	3.1
64.90057	3.3
67.05508	33.1
69.07065	17.4
71.08636	61.4
79.05511	16.3
80.78966	3.6
81.07063	34.0
83.04977	5.3
83.08608	6.7
85.06544	6.6
91.05473	7.0
93.07044	24.0
95.04967	7.5
95.08600	35.5
97.06545	4.1
97.10176	16.3
99.08102	36.0
105.07064	7.6
107.04963	8.6
107.08620	18.6
109.10152	25.6
116.10733	8.0
117.07039	4.6
119.08605	19.6
121.06452	4.6
121.10149	5.7
123.08043	5.2
125.09628	100.0
126.77580	3.4
131.08554	13.6
133.10152	23.8
135.08086	8.8
135.11711	6.4
137.09599	16.1
139.12553	4.0
145.10159	4.8
149.09608	6.9
149.13289	5.9
151.11215	32.8
159.11714	6.5
163.11143	6.1
177.12715	27.4
183.13788	4.5
195.13756	7.5
211.70941	3.9
227.16484	6.0
229.19563	5.5
257.19016	5.8
275.20081	46.8
293.21198	23.4
307.22684	70.1
325.23749	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	342.3
Annotation	N-acetylsphingosine
Peak:m/z	Relative Intensity
51.49385	1.9
53.55120	2.1
55.01884	4.5
55.05520	16.2
57.03445	4.3
57.07080	28.8
59.98593	1.9
62.51947	2.3
64.55634	3.3
65.85382	2.5
67.05505	67.1
69.07073	49.9
71.02299	2.1
71.04955	2.6
71.08633	31.1
79.05490	17.5
81.06618	4.0
81.07063	88.0
83.04966	5.3
83.08633	25.2
85.06541	3.7
85.10163	4.1
91.05477	10.4
93.07042	34.1
95.04960	5.8
95.08607	70.3
95.40064	2.4
97.06499	18.4
97.10179	6.7
105.07056	5.5
107.08613	24.6
109.10172	51.3
111.08060	4.2
117.07001	3.4
119.08549	5.3
121.10171	18.4
123.08076	3.1
123.11704	17.6
131.08557	6.6
133.10155	19.8
135.11700	40.0
137.13251	4.2
139.11092	3.3
141.12679	2.7
145.10121	4.0
147.11606	5.1
149.09532	3.5
149.13251	4.8
151.14835	3.2
153.12755	14.8
155.10707	2.9
155.14294	3.0
159.11708	5.9
173.13202	6.0
173.39851	2.8
195.13785	4.5
197.15295	4.8
214.96513	3.1
223.46246	2.8
275.19995	5.4
275.58362	2.9
280.23322	2.9
289.21619	4.9
289.24817	4.3
296.25827	3.4
297.26184	15.5
307.26337	87.8
319.21176	13.7
324.25412	4.9
324.28967	100.0
337.22180	6.1
342.26501	6.0
342.30038	17.7
343.24725	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	342.3003
Annotation	N-acetylsphingosine
Peak:m/z	Relative Intensity
50.57711	0.6
55.05507	4.0
55.27240	0.7
57.07070	5.3
61.89631	0.6
62.06098	100.0
63.92909	0.7
67.05518	10.0
69.07073	8.2
69.94296	0.7
70.41674	0.7
71.08630	6.9
79.05506	1.2
81.07060	13.5
83.08619	8.0
85.10185	1.2
91.05482	1.3
93.07050	4.4
95.08609	11.2
95.58755	0.8
97.10180	5.8
105.07095	1.0
107.08580	4.9
109.10151	8.1
111.08053	0.9
119.08602	1.7
121.10168	2.9
123.11702	2.9
133.10136	4.5
140.86339	0.8
155.14340	0.9
185.95372	1.0
198.14832	1.5
200.16501	3.1
216.16008	3.4
216.22302	0.7
223.14580	0.9
245.22725	1.0
256.26566	1.2
263.23810	1.7
306.28098	1.2
307.26205	1.3
324.28964	56.2
325.27332	4.0
342.30042	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	342.3
Annotation	N-acetylsphingosine
Peak:m/z	Relative Intensity
50.68414	0.4
57.07085	5.7
63.48677	0.4
67.05516	1.1
67.36002	0.4
69.03433	2.2
71.08634	4.9
81.07082	2.8
83.08638	0.9
85.10201	3.1
86.06072	100.0
87.04474	12.9
95.08620	4.8
95.98059	0.5
103.74397	0.5
104.07107	21.6
109.10180	1.8
131.93428	0.5
209.34349	0.6
342.30032	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	342.3
Annotation	N-acetylsphingosine
Peak:m/z	Relative Intensity
50.18713	2.1
50.46461	2.4
55.01896	2.9
55.05515	29.9
57.03437	9.8
57.07088	19.3
59.05008	2.3
63.10925	2.4
64.42850	2.4
67.05510	68.7
69.03412	4.3
69.07073	45.8
71.04991	5.9
71.08614	10.1
79.05495	65.2
81.03442	3.0
81.06616	4.7
81.07060	100.0
81.07497	5.3
83.04984	11.9
83.08620	39.2
85.06536	5.8
91.05479	34.0
91.11774	2.8
92.16273	2.4
92.21635	3.1
93.07043	68.7
95.04959	12.4
95.08608	72.7
97.06528	12.2
97.10171	37.3
99.08117	2.8
105.07047	32.5
107.08589	57.5
107.09270	4.1
109.04648	2.6
109.06514	6.1
109.10159	56.7
111.08086	10.8
115.59338	2.5
117.07032	4.6
119.08570	29.6
121.06551	3.5
121.10143	50.4
123.11709	12.3
125.09615	36.1
127.11246	3.0
131.08578	11.6
133.10147	28.3
134.58521	2.5
135.08112	5.1
135.11716	18.4
137.09622	6.1
137.13264	10.3
139.11189	6.2
145.10129	15.1
147.11685	27.9
149.09587	4.8
149.13240	14.3
151.11200	5.1
151.81288	2.7
155.10672	5.2
157.10159	3.8
159.11691	12.5
161.13251	10.8
163.14867	4.1
167.14215	3.1
173.11710	18.2
173.13272	9.9
174.65149	2.9
175.11102	4.0
184.13298	3.5
185.13193	3.9
186.14865	5.7
187.13287	11.6
200.16446	13.7
201.14841	3.3
203.12811	23.2
219.18243	2.7
229.19516	3.4
239.17906	3.7
257.18958	4.5
275.20001	39.3
289.21579	12.5
289.25043	6.0
306.27902	5.8
307.22656	20.3
307.26294	41.5
324.28989	52.3
342.26254	6.4
342.30026	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	342.3
Annotation	N-acetylsphingosine
Peak:m/z	Relative Intensity
54.34219	3.3
55.05517	24.2
57.03442	4.3
57.07093	34.1
62.16223	4.0
67.05515	75.4
69.07080	59.4
71.04999	4.5
71.08640	44.0
79.05520	34.2
81.06622	5.4
81.07064	98.0
83.04942	3.9
83.08612	27.2
85.06566	6.0
85.10182	20.8
91.05471	9.4
93.07052	41.1
95.05023	4.8
95.08607	84.3
96.03651	3.7
97.06528	4.9
97.10177	39.0
105.07063	9.2
107.08590	52.4
109.10157	27.8
119.08580	22.8
121.10169	28.8
123.11699	17.0
125.09641	39.8
131.08594	4.4
133.10152	28.0
135.08060	6.1
135.11708	51.4
137.09669	7.1
145.10127	5.1
147.11696	5.2
149.13284	6.7
154.12254	8.2
155.14285	9.1
159.11685	5.1
163.11148	4.7
174.69588	3.9
181.15813	5.2
203.12778	21.0
257.18842	4.7
271.24258	7.5
275.20145	8.0
280.23611	5.1
289.22137	6.1
289.25293	33.0
297.26196	20.7
306.27905	31.5
307.22888	12.5
307.26300	71.3
324.25455	5.3
324.29010	100.0
342.30136	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	342.3001
Annotation	N-acetylsphingosine
Peak:m/z	Relative Intensity
55.05527	32.2
57.07088	50.1
67.05522	74.0
69.03435	4.3
69.07066	44.0
71.48740	3.7
72.31248	3.6
79.05501	37.2
79.91281	3.7
81.07063	91.2
83.04975	6.5
83.08624	46.4
84.29978	4.8
85.06533	7.6
91.05486	17.5
93.07050	36.0
95.08605	76.9
97.06525	8.4
97.10176	74.5
105.07050	10.1
107.08603	100.0
109.06528	4.6
109.10162	41.5
111.08030	4.9
119.08567	18.9
121.10128	21.6
123.08028	7.0
123.11700	20.1
125.09619	85.0
133.10141	21.2
135.08051	17.4
135.11694	25.4
145.10138	16.5
147.11674	10.1
149.09651	5.1
153.09132	16.3
153.44922	4.3
159.11772	5.4
165.12721	4.9
173.13242	7.5
200.16499	18.0
202.91901	4.3
203.12766	73.1
214.17982	6.5
257.18964	7.2
275.20065	43.4
284.22171	4.2
289.21619	29.9
289.24969	14.0
306.28049	5.0
307.22610	39.0
307.26294	55.7
324.28961	71.9
341.73547	5.0
342.30023	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	342.3001
Annotation	N-acetylsphingosine
Peak:m/z	Relative Intensity
55.05514	18.4
57.07081	38.5
59.78245	2.3
61.85066	2.3
67.05507	71.7
69.07074	32.5
71.04967	5.3
71.08643	33.4
79.05505	20.8
81.07063	99.9
83.04949	2.4
83.08618	29.1
85.06532	14.0
85.10165	11.3
91.05479	10.9
93.07043	29.4
95.08601	80.6
97.06500	6.3
97.10168	20.8
99.08110	3.3
101.39370	2.8
105.07010	6.2
107.08595	26.5
109.10149	45.5
115.02736	2.7
117.07018	3.4
119.08574	3.6
121.10158	26.1
123.08094	5.2
123.11692	17.6
125.09650	15.3
126.65163	2.7
131.08539	3.9
131.53300	2.4
133.10126	19.2
135.08049	3.4
135.11682	26.9
137.13263	5.0
141.12749	5.7
145.10150	5.5
147.11720	12.1
149.13303	11.6
153.12828	4.2
155.64429	3.1
159.11610	3.0
161.13214	5.2
173.13264	3.5
181.15927	3.5
186.14874	15.4
187.13326	4.7
197.15324	3.2
200.16512	5.8
203.12695	3.8
232.27473	3.2
271.24344	4.8
289.25226	14.2
306.27826	16.3
307.22974	7.4
307.26260	74.4
324.28940	100.0
342.30109	18.3
351.18228	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	342.3
Annotation	N-acetylsphingosine
Peak:m/z	Relative Intensity
51.34484	1.7
55.01886	2.3
55.05517	23.2
57.03437	5.1
57.07085	15.3
59.69830	1.7
67.05513	74.8
67.96535	1.8
69.03407	2.2
69.07073	39.5
71.04999	4.6
71.08645	8.3
79.05499	35.9
81.07069	100.0
83.04996	3.9
83.08629	25.0
85.06544	4.1
85.10188	14.5
90.99339	2.2
91.05489	25.9
93.07061	45.8
95.05003	3.8
95.08617	95.0
97.06532	17.2
97.10184	19.1
99.08086	3.5
105.07047	28.6
107.08607	37.0
109.06518	4.4
109.10170	48.3
111.08067	4.6
111.11674	2.5
113.09662	7.6
117.07026	12.3
119.08572	28.8
121.10150	38.8
123.08051	4.6
123.11707	17.4
125.09650	5.1
131.08598	15.7
133.10114	23.0
135.08034	4.0
135.11717	21.4
137.09628	8.4
137.13264	3.8
139.11237	2.8
143.08562	2.8
145.10161	15.9
147.09735	2.1
147.11688	28.2
149.09561	4.2
149.13278	9.2
159.11699	9.9
161.13235	8.3
163.11270	3.1
163.14832	7.7
165.12704	2.8
168.13832	2.8
169.12305	2.5
171.11732	2.2
173.11790	3.6
173.13301	8.3
175.14828	2.2
177.12712	2.3
186.14925	3.7
187.13382	3.2
187.14874	3.1
197.15378	2.4
201.16460	2.4
203.12833	3.0
205.19572	2.8
229.19475	2.7
249.18498	2.4
257.18945	4.2
275.20038	26.2
289.21759	10.8
289.25311	12.1
297.26324	2.3
306.27948	13.5
307.22699	12.5
307.26248	67.7
324.28952	70.1
342.26321	2.5
342.30154	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	342.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73343	0.6
57.07080	5.3
57.27739	0.7
59.49843	0.7
59.77601	0.7
66.11795	0.8
67.05499	1.0
67.38200	0.7
69.07076	1.3
71.08635	3.5
81.07062	1.2
83.08643	1.4
85.10210	1.3
95.08610	2.0
119.03317	0.9
154.52011	1.0
268.29910	1.0
281.18027	1.0
283.26315	100.0
286.31046	8.0
329.88028	1.0
342.33716	46.0
342.37384	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	342.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15143	0.2
51.65084	0.2
57.07024	3.7
60.08129	0.4
60.60725	0.3
61.53550	0.4
67.05460	0.6
69.07008	1.7
71.08622	3.4
72.28899	0.3
73.02881	0.5
77.98161	0.3
77.98592	0.4
81.07001	1.5
81.71922	0.3
83.08555	1.7
85.10099	1.7
88.31873	0.4
95.08535	2.2
97.10110	1.6
100.78532	0.3
104.96732	0.3
109.10103	0.6
179.20889	0.4
199.15764	0.4
283.26315	100.0
286.31082	2.0
342.33701	44.8
342.37210	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	343.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02948	0.3
53.69799	0.3
55.05502	0.6
67.05502	0.5
69.07060	0.5
69.49773	0.4
69.73193	0.3
71.04996	0.4
77.90152	0.3
79.24429	0.4
81.03417	0.4
81.07047	2.1
83.08623	0.4
85.02909	1.7
93.07049	0.7
95.04979	0.4
95.08616	2.0
97.02908	0.5
105.07011	0.7
107.08575	0.8
109.10191	0.6
121.02876	10.8
122.03648	3.7
125.74812	0.4
126.62168	0.4
131.08566	0.6
133.10133	0.7
135.11703	0.4
144.87917	0.4
147.11749	0.7
150.03128	2.1
151.03951	0.6
175.03860	0.6
209.04478	0.6
239.06973	0.9
269.08185	1.6
271.06055	0.9
272.06693	0.7
273.43054	0.4
276.02451	0.4
283.06024	1.5
285.07455	0.9
296.06873	0.5
297.07544	3.6
299.05511	4.1
300.06314	16.9
300.09711	0.7
301.07065	1.8
302.07425	6.9
310.04559	1.5
311.05533	11.0
313.07034	2.6
314.07727	3.1
325.07086	0.9
328.05609	0.7
343.08121	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	343.1175
Annotation	UWM6
Peak:m/z	Relative Intensity
56.05028	2.2
56.19876	1.0
56.42769	1.2
56.81952	1.2
58.06577	1.5
70.06606	5.0
71.04951	1.5
72.04507	2.0
74.06066	1.9
76.05145	2.1
78.01842	1.1
84.04501	1.7
96.05630	2.7
102.05560	2.9
103.05511	1.9
103.67136	1.4
107.04883	1.5
109.06435	2.1
111.04465	1.3
111.57272	1.4
115.05462	6.5
117.06992	1.4
119.04926	2.4
120.77106	1.3
121.06483	1.3
126.43076	1.5
133.02858	1.6
137.05974	40.6
140.10678	1.4
143.04950	3.2
144.06592	1.6
145.06473	2.2
146.10223	1.6
147.04437	1.9
149.05983	9.3
150.06689	6.7
151.03844	2.4
154.06079	5.5
159.04471	6.1
160.05177	5.2
161.61395	1.3
173.05984	11.2
175.03877	1.7
175.07504	11.2
177.05493	2.8
179.08563	2.2
186.03079	8.6
187.03809	4.4
190.12216	2.0
192.10193	17.0
193.10545	20.8
194.12871	6.0
200.13942	2.0
201.05394	22.7
201.06863	1.3
205.06442	23.6
207.08159	1.8
210.12415	2.8
217.06703	1.7
219.06526	5.9
222.06755	7.6
223.07518	3.0
233.05959	31.2
234.06631	3.1
237.09077	27.7
239.17815	1.7
240.07854	1.5
247.07605	2.3
249.05353	2.3
250.06230	22.4
251.06999	5.8
261.05304	5.9
264.07773	9.9
265.08575	50.8
265.11374	2.5
266.09357	2.7
267.06506	3.3
268.07278	2.8
278.05783	15.4
279.06546	3.1
282.08832	6.5
283.09653	16.8
292.07260	22.9
293.08093	35.0
294.08841	2.0
295.06131	3.4
297.11209	15.6
307.09641	38.3
310.08450	14.3
311.09143	1.6
325.10681	100.0
343.11682	23.5
343.17352	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	343.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	0.7
70.06592	1.6
71.47710	0.6
88.73160	0.7
91.52170	0.6
109.06499	0.6
145.10077	0.8
148.03772	6.2
203.05434	1.1
204.06329	16.9
206.04250	3.0
207.05003	17.0
209.39241	0.7
279.07758	1.1
281.35712	0.7
301.12158	3.2
325.07996	1.4
343.12683	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
62.49806	0.5
65.03937	0.6
67.05492	2.8
70.75998	0.6
79.05496	3.0
80.05016	0.8
81.05773	0.6
81.07067	5.6
81.37344	0.5
82.06589	9.7
95.04981	0.9
96.08128	5.6
106.06509	2.1
109.05249	2.9
122.05994	1.0
124.07591	100.0
125.77522	0.6
132.04419	1.0
138.05525	11.3
144.66263	0.6
150.05515	0.9
152.07027	2.7
160.03906	6.4
172.03920	3.2
174.05499	0.7
188.03445	1.5
190.04994	10.6
190.08672	1.2
198.45737	0.6
204.06551	5.7
209.10780	0.8
210.09259	0.8
220.05959	1.0
225.10287	1.0
226.11002	0.8
237.10194	3.9
238.10925	0.7
239.09584	0.9
250.07367	1.1
251.08092	0.8
253.09747	2.3
255.11264	2.8
256.09589	1.0
256.12097	1.3
265.09753	12.1
266.08133	3.5
267.11276	1.0
269.09384	0.8
269.12784	2.1
282.11346	9.7
283.10794	11.7
284.11539	0.9
293.09268	4.1
294.10092	2.1
295.10812	1.4
297.08981	0.6
297.12332	3.3
298.10788	1.0
307.10489	1.1
311.10159	2.8
313.11948	0.7
315.13312	4.6
325.11832	14.7
326.10205	8.3
329.11267	2.6
343.12878	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	343.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89237	0.6
61.76923	0.5
63.60872	0.5
70.06583	2.2
72.08158	1.1
76.43710	0.4
79.37757	0.5
86.09708	2.8
102.96201	0.5
103.49282	0.5
116.07103	1.0
133.02840	0.8
137.06023	0.9
181.08330	6.1
185.04221	1.0
201.05510	0.6
203.05316	6.5
209.77037	0.6
230.15773	0.6
266.08105	0.5
292.06866	0.6
325.10654	1.2
325.16290	0.6
341.95166	0.5
343.13623	100.0
343.17227	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	343.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53313	0.4
67.05486	0.7
69.07048	0.7
70.02937	0.6
70.06590	0.6
81.02512	0.5
81.07037	2.6
85.02905	0.7
86.09698	0.8
92.21398	0.8
93.07033	0.6
95.08622	1.2
107.08589	1.0
121.06545	0.6
121.10138	0.6
124.07603	0.7
131.26439	0.5
137.05969	2.7
147.04448	1.8
147.08038	0.5
147.11665	0.9
163.11012	2.0
163.12267	0.6
173.09499	0.5
181.11958	0.7
203.05267	9.8
207.07678	0.5
265.08633	0.7
327.10623	0.7
343.10187	6.6
343.13800	3.8
343.17245	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	343.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09380	2.4
55.05516	3.8
55.10623	1.8
57.03446	2.6
67.05498	10.3
68.52023	1.9
69.03423	9.4
69.07070	32.9
71.04994	8.7
74.01207	2.3
79.05509	18.6
81.07063	42.2
83.04993	36.5
85.02873	2.7
85.06566	3.5
89.06069	2.2
91.05484	14.1
93.07034	22.2
95.04965	28.8
95.08594	5.2
97.06525	65.5
99.04463	15.1
104.48759	2.0
105.07033	34.9
107.04960	5.0
107.08582	22.7
109.06520	40.2
111.08090	4.3
113.06000	5.5
117.07029	4.3
119.08575	14.2
121.06519	33.6
121.10151	9.3
123.04443	8.0
124.07584	14.3
125.05994	62.3
127.07548	24.2
131.08571	14.6
133.06439	10.6
133.10097	3.0
135.08121	3.3
135.11707	5.5
137.05974	35.8
138.05467	3.2
139.07527	3.4
141.07066	2.8
143.07053	32.2
143.08566	3.4
145.06500	4.1
145.10132	100.0
147.08084	2.9
147.11688	4.6
149.02368	10.7
151.07524	4.6
155.07074	4.8
158.07272	4.9
159.07993	4.9
159.11681	32.6
161.09627	3.1
163.11172	68.9
163.12424	3.8
168.16734	3.0
169.10144	10.1
173.05878	2.3
173.09604	85.3
177.12636	6.0
187.11180	77.8
188.03413	10.3
191.10686	35.6
197.09586	9.2
201.05606	2.6
203.05737	10.2
205.12251	50.6
206.04395	8.0
209.11740	25.3
211.18893	2.8
215.10672	55.6
233.11713	46.9
245.75603	2.3
251.12730	30.5
265.08841	2.8
269.13760	8.9
283.10855	3.1
293.08270	4.3
304.03244	2.5
307.09760	3.4
307.15329	4.2
325.10849	3.2
325.16440	14.0
343.13025	23.0
343.17349	76.2
343.20572	6.4
343.23953	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	343.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21141	1.2
52.50588	1.3
55.01845	1.5
55.05511	9.4
55.08067	1.3
57.03436	6.1
59.04985	1.5
60.71423	1.2
60.83273	1.2
67.05508	27.6
69.03422	2.0
69.07063	15.2
71.04995	2.7
73.33730	1.4
79.05495	14.7
81.07061	90.6
83.04984	5.6
83.08611	8.8
85.02908	2.0
85.06541	8.6
91.05487	20.4
93.07034	15.0
95.04970	1.8
95.08602	23.2
97.02874	4.7
97.06513	9.8
97.10200	2.0
99.08083	2.6
105.07032	46.9
107.08603	20.3
109.06523	7.7
109.10157	5.3
115.03937	2.3
119.08582	34.2
121.10145	32.3
123.08036	3.4
123.11713	31.3
127.07571	2.2
133.10121	2.5
137.13249	2.4
145.10051	1.4
147.11688	100.0
157.10107	7.3
165.12753	47.4
175.11182	6.0
183.13760	7.2
193.12212	6.8
211.13214	2.1
229.14311	21.8
257.61813	1.8
260.31934	1.5
279.15842	6.8
297.16949	25.0
317.24756	1.5
325.12524	2.6
325.16434	83.5
343.08157	11.2
343.17551	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	343.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09380	2.4
55.05516	3.8
55.10623	1.8
57.03446	2.6
67.05498	10.3
68.52023	1.9
69.03423	9.4
69.07070	32.9
71.04994	8.7
74.01207	2.3
79.05509	18.6
81.07063	42.2
83.04993	36.5
85.02873	2.7
85.06566	3.5
89.06069	2.2
91.05484	14.1
93.07034	22.2
95.04965	28.8
95.08594	5.2
97.06525	65.5
99.04463	15.1
104.48759	2.0
105.07033	34.9
107.04960	5.0
107.08582	22.7
109.06520	40.2
111.08090	4.3
113.06000	5.5
117.07029	4.3
119.08575	14.2
121.06519	33.6
121.10151	9.3
123.04443	8.0
124.07584	14.3
125.05994	62.3
127.07548	24.2
131.08571	14.6
133.06439	10.6
133.10097	3.0
135.08121	3.3
135.11707	5.5
137.05974	35.8
138.05467	3.2
139.07527	3.4
141.07066	2.8
143.07053	32.2
143.08566	3.4
145.06500	4.1
145.10132	100.0
147.08084	2.9
147.11688	4.6
149.02368	10.7
151.07524	4.6
155.07074	4.8
158.07272	4.9
159.07993	4.9
159.11681	32.6
161.09627	3.1
163.11172	68.9
163.12424	3.8
168.16734	3.0
169.10144	10.1
173.05878	2.3
173.09604	85.3
177.12636	6.0
187.11180	77.8
188.03413	10.3
191.10686	35.6
197.09586	9.2
201.05606	2.6
203.05737	10.2
205.12251	50.6
206.04395	8.0
209.11740	25.3
211.18893	2.8
215.10672	55.6
233.11713	46.9
245.75603	2.3
251.12730	30.5
265.08841	2.8
269.13760	8.9
283.10855	3.1
293.08270	4.3
304.03244	2.5
307.09760	3.4
307.15329	4.2
325.10849	3.2
325.16440	14.0
343.13025	23.0
343.17349	76.2
343.20572	6.4
343.23953	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	343.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
55.05522	0.8
57.03451	1.3
61.02934	4.0
69.03433	9.3
70.06596	1.0
71.05029	2.0
73.02939	0.7
75.25363	0.5
79.05493	2.3
81.03431	3.4
81.07059	7.4
83.04986	3.9
84.08161	1.0
85.02909	29.3
86.09725	2.5
87.04487	2.2
91.05501	3.7
93.07056	7.0
95.04969	13.4
95.08606	1.2
97.02887	8.1
97.06551	2.4
99.04471	2.9
101.00895	0.6
103.03954	1.1
105.07024	4.2
107.08584	7.0
109.02904	2.6
109.06550	2.1
117.07045	1.3
119.04932	5.2
119.08575	4.7
121.06495	4.2
121.10144	11.1
123.08125	0.7
125.05984	11.8
126.79379	0.6
127.03925	6.9
129.10268	0.9
130.07858	1.0
133.10138	1.1
135.08058	0.7
135.11707	7.6
137.06055	1.3
145.04977	6.0
145.10127	24.7
145.11198	0.9
147.04417	30.0
159.11749	0.7
161.09628	1.2
163.11176	100.0
165.09128	0.7
167.06998	0.7
175.11220	0.9
181.08553	0.7
181.12231	21.8
183.10216	0.8
199.08188	5.2
205.12350	1.1
217.09300	2.5
223.13399	2.7
224.04886	0.6
224.13988	1.2
241.09338	2.8
263.13956	0.7
263.72568	0.5
307.15500	1.1
325.16324	1.9
343.13663	55.4
343.17667	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	343.1862
Annotation	TMC-86A
Peak:m/z	Relative Intensity
53.50093	1.4
56.90862	1.3
57.03453	1.7
59.13729	1.3
59.46343	1.5
67.05495	7.0
69.07064	3.9
70.02962	41.8
74.02441	8.5
79.05502	2.4
81.07063	31.0
82.71605	1.8
83.04992	2.1
83.08612	3.2
85.06543	2.6
87.05596	80.5
88.03998	62.9
91.05468	3.7
93.07019	7.0
95.08600	9.8
99.08130	3.0
105.07035	11.3
107.08603	9.9
109.06562	2.4
109.10178	1.7
115.05048	6.4
116.03464	7.8
119.08566	12.8
121.10159	9.5
123.11681	15.1
124.04040	2.3
133.06090	100.0
133.10208	1.9
138.97299	1.7
147.11691	49.7
155.48276	1.6
165.12759	22.7
175.11171	2.0
188.09938	1.7
190.15912	17.5
192.13838	3.5
229.14487	2.6
234.14883	3.4
262.14328	3.5
279.17001	29.3
280.15399	35.2
284.06769	2.6
298.16467	1.9
307.16498	32.6
308.14917	19.7
325.17523	14.8
326.15979	17.4
343.08179	16.2
343.18607	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	343.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82221	0.5
55.05524	0.7
57.07075	0.6
67.05503	2.4
68.05789	0.5
69.07074	0.9
71.08622	0.9
79.05477	0.9
81.07063	3.6
83.08629	0.8
91.05475	0.9
93.07047	2.6
95.08580	4.2
95.09149	0.7
97.10168	0.8
104.05631	0.7
105.07014	1.2
107.08638	2.4
109.10162	1.2
119.08582	1.3
129.06929	0.8
131.08485	0.8
133.10124	0.9
135.11693	0.6
145.10065	0.7
149.13307	0.7
157.10233	0.7
160.11911	0.7
193.12259	1.0
230.24884	1.1
280.26270	1.0
283.33463	0.7
293.21216	1.5
307.27838	0.7
308.26428	0.8
343.18790	100.0
343.29697	2.7
369.59656	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	4.2
56.05041	2.1
60.05648	3.9
67.05496	1.0
70.06662	0.7
71.08617	1.2
72.04520	9.7
74.02431	1.3
74.06083	2.0
76.05128	15.9
79.05495	1.8
81.07079	1.3
83.08611	2.1
86.03526	0.8
89.68430	0.8
90.06686	1.0
92.46033	0.9
94.06593	1.0
95.08611	1.4
96.04481	6.1
97.02970	0.8
97.10169	1.6
99.05579	1.0
99.08134	1.0
102.05543	4.5
107.08591	1.9
108.04510	2.0
109.10149	3.7
110.07132	1.3
114.05496	1.3
114.06647	1.6
116.08194	2.1
118.05021	4.1
118.09922	0.9
124.11252	3.8
125.09618	1.9
126.05540	1.8
126.06644	1.4
128.04576	1.4
130.04977	3.6
135.08046	1.1
139.11206	1.0
140.04572	1.3
144.04039	5.5
145.06107	3.3
156.13911	1.2
160.07140	6.8
167.10631	1.6
167.14337	2.0
169.12247	1.8
177.09848	1.8
182.12883	2.2
190.12343	1.4
193.12140	1.3
210.12386	4.5
211.08282	4.6
214.15517	3.9
222.15092	1.3
222.96239	1.0
224.16507	1.5
228.06235	1.2
236.12769	11.5
242.18530	1.0
268.15408	19.1
269.14984	1.8
311.17123	13.6
311.20435	1.5
342.86969	1.0
343.19775	100.0
343.23117	4.7
350.98831	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	343.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97774	0.8
54.22204	0.7
55.05522	4.1
56.05048	4.2
56.16787	0.9
58.04079	1.0
58.06615	1.0
60.05661	4.7
64.55016	0.9
67.05518	2.0
69.07067	1.0
71.05013	1.6
72.04517	12.9
74.06084	2.3
76.05128	16.7
79.05524	1.6
80.05045	1.0
81.07056	1.8
83.08632	2.0
86.85175	0.9
90.06690	2.0
92.28185	1.0
94.06612	1.6
95.08633	1.3
96.04491	10.4
97.06535	1.4
97.10232	1.3
102.05563	6.2
107.08610	2.1
108.04513	3.9
109.10188	5.1
114.05552	1.3
116.08234	3.7
118.05036	4.3
123.08048	1.0
124.11273	3.6
125.06001	2.2
125.09652	1.5
126.05552	1.5
126.09157	1.1
130.05048	0.9
130.09766	1.1
135.06674	1.2
135.08072	1.1
141.12791	1.3
144.04037	12.5
145.06084	1.6
152.10735	1.5
154.06178	2.3
156.13895	1.2
160.07253	5.7
169.12148	1.6
172.13371	1.3
182.12944	1.7
184.13281	1.3
186.14909	2.3
193.12224	1.8
210.12416	4.1
211.08363	5.4
224.16489	1.6
226.76387	1.0
228.06293	1.2
236.12859	1.5
238.19930	0.9
240.16751	1.0
242.15016	2.2
245.08859	1.7
268.15442	18.7
269.14883	1.6
289.17944	1.1
292.10040	1.3
299.10718	2.0
304.60202	1.3
311.14215	1.2
311.17285	5.7
311.20670	1.5
313.10263	4.2
313.60480	2.0
314.11087	2.1
319.10361	2.3
321.12149	4.4
326.17056	1.4
327.10168	1.0
328.11069	1.2
328.14990	2.0
335.11615	6.2
335.61993	1.2
343.13632	16.1
343.19913	100.0
343.22949	5.2
343.63403	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	343.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43000	0.6
55.05513	2.8
56.05029	3.1
57.08986	0.6
58.04092	1.1
60.05651	4.2
67.05503	1.3
69.07064	0.7
71.04988	0.8
72.04522	10.4
74.02465	1.1
74.06077	3.1
76.05135	16.6
79.05496	1.6
83.08614	0.7
90.06686	3.7
94.06577	1.5
95.06115	0.7
95.08636	0.9
96.04496	8.9
97.10176	1.7
98.06054	1.2
99.05568	1.7
102.05518	5.3
107.08633	2.6
108.04475	3.3
109.06503	0.8
109.10152	4.0
109.37021	0.8
112.05080	1.2
114.06660	1.1
116.08240	6.2
118.05005	4.8
124.11199	3.9
125.05973	2.6
125.09665	2.6
126.05442	1.0
126.06625	1.6
126.09119	1.7
130.05009	3.0
131.09384	0.8
135.08063	1.1
139.11165	1.0
144.04021	7.5
145.06094	3.6
152.10764	1.1
154.06114	1.1
154.12259	0.9
156.13832	3.1
160.07117	5.1
167.10580	1.0
169.12242	3.4
180.10025	0.9
181.13307	0.8
182.12898	1.6
182.69594	0.8
184.13275	1.4
186.14967	1.5
192.13837	1.1
193.12238	0.8
203.06596	0.8
204.18506	0.8
211.08249	4.7
214.15506	3.7
224.16463	3.1
228.06259	1.0
236.12881	5.6
245.08902	1.0
268.15390	21.2
269.15027	3.0
292.96301	0.9
311.17160	3.6
311.20813	0.9
311.63684	0.8
343.19751	100.0
343.23019	3.6
356.77322	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	343.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03485	1.1
55.05521	0.8
56.05035	2.0
61.69176	0.7
67.05471	0.7
70.06597	0.8
72.04523	9.0
72.08170	0.9
74.02447	3.5
74.06080	4.2
76.05120	3.3
79.05473	1.0
83.08662	0.8
84.04526	0.8
86.09702	0.9
94.04059	5.7
95.08618	1.7
99.05572	0.9
100.11213	1.0
102.05566	4.8
107.06098	1.0
107.08593	3.6
109.06409	1.0
110.07198	1.1
111.89845	0.8
112.05103	1.7
114.05528	1.0
116.08201	1.5
118.05025	4.3
124.11227	25.0
130.08669	4.2
131.08966	1.6
135.07658	3.2
137.06001	1.2
140.04555	10.2
143.04561	1.0
149.10713	0.9
150.50728	0.8
152.10719	1.2
154.06110	58.7
164.11873	11.9
181.13376	1.5
182.12900	3.6
184.13364	1.3
192.13855	1.4
193.12202	1.3
209.12918	1.7
210.12328	3.8
224.14070	3.2
224.16370	0.9
226.15552	1.6
228.13518	4.2
242.14987	32.6
242.18777	1.2
250.15512	3.4
265.08594	3.3
268.15497	1.8
311.17319	1.1
325.10703	3.4
326.17188	3.7
339.73898	0.9
343.19788	100.0
343.23108	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	343.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25328	1.6
54.03474	2.4
55.05518	3.7
56.05038	11.9
60.04530	3.0
67.05503	9.4
69.07082	3.8
72.04509	3.8
74.02450	2.1
74.06075	10.0
76.05122	13.0
79.05509	9.1
80.05029	8.0
81.07057	16.1
86.07195	18.9
88.03992	3.5
93.07048	4.0
94.06565	4.1
94.74483	1.8
95.04980	2.4
95.08607	19.4
96.04520	2.4
96.05603	4.7
98.07189	27.8
99.04482	1.9
99.05585	2.7
99.08064	2.5
102.05534	12.4
105.07004	14.4
106.82534	1.8
107.07330	2.8
107.08588	4.6
109.06475	2.0
109.10133	2.3
111.04354	2.4
114.06647	1.9
116.08221	10.3
118.05035	2.6
121.10139	3.6
122.09676	21.6
125.09685	2.2
126.06655	13.9
127.05058	3.0
128.62630	1.8
131.06984	2.8
133.06529	2.4
138.09146	2.2
140.10674	2.8
140.64931	2.0
144.07704	47.7
149.13231	2.8
150.09167	3.3
157.10034	2.0
160.07182	10.7
162.08778	2.3
167.11777	11.2
168.10159	21.1
177.09830	13.9
182.11772	16.9
200.12854	9.8
224.17546	2.5
263.09421	3.0
279.12540	4.5
294.14551	2.9
307.11984	11.4
311.17154	14.5
311.20407	2.2
336.08652	30.0
343.11578	17.7
343.19675	100.0
343.23401	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	343.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32591	1.0
69.03442	0.9
70.06597	21.0
72.08167	13.7
74.57812	0.9
76.15217	0.9
84.04512	1.1
84.08151	52.1
86.09702	9.0
88.22607	1.2
96.08120	6.6
110.07141	1.6
113.96413	1.7
116.07073	12.7
121.69307	1.2
127.05028	9.8
127.08638	1.2
129.10262	16.8
130.08653	22.5
141.10226	15.3
142.14041	1.2
143.11833	2.3
147.04398	2.4
147.11307	9.1
148.95255	2.1
169.09726	79.1
171.11240	1.3
173.09123	3.5
181.05074	1.3
194.08113	1.1
198.12407	1.8
216.13596	1.9
217.01530	1.0
221.00729	1.0
228.13472	1.3
235.02542	1.6
240.03114	1.3
252.17157	1.7
261.00479	1.2
305.16968	1.2
315.20209	1.8
343.09903	2.1
343.13440	6.3
343.19772	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05047	7.1
57.02435	1.8
60.05661	2.6
69.03415	2.0
69.07064	3.9
70.06596	68.6
72.04527	3.5
72.08160	18.4
74.06072	2.7
74.85247	1.4
76.05130	6.8
81.03396	2.2
83.06111	3.2
84.04501	6.4
84.08128	7.7
85.02905	8.9
85.33801	1.4
86.09710	100.0
87.05592	8.0
95.04996	1.8
96.05621	8.9
97.02858	2.8
100.44965	1.6
101.07166	3.7
102.05535	3.3
110.07160	8.5
112.05103	3.2
115.08690	1.7
116.06271	4.0
116.07092	94.5
116.08279	2.7
118.05013	2.4
124.07591	2.4
125.07117	1.8
127.03924	7.1
129.10246	8.8
133.06097	3.2
138.09158	9.0
141.10251	8.3
145.04906	3.3
155.11835	8.0
157.09714	7.5
159.71146	1.5
168.59303	1.7
171.07645	10.7
173.09219	2.9
177.09830	3.6
182.12956	12.6
183.11285	43.4
183.14949	1.8
187.10873	2.2
192.91914	1.6
193.49313	1.6
194.08273	1.7
195.07611	7.9
196.06026	36.1
198.96968	2.0
200.13962	17.1
210.12347	3.0
211.10768	9.0
213.08682	15.5
224.12804	2.3
228.13403	71.3
230.11304	17.9
234.78789	1.6
299.07550	2.0
309.25662	1.6
325.15167	2.6
325.18790	7.0
326.17010	9.7
343.06409	1.8
343.12442	3.2
343.16040	16.5
343.19855	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	343.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	6.3
59.17558	2.1
61.61536	2.6
67.05508	5.6
69.03426	5.1
69.07061	2.4
71.04994	12.7
72.44492	2.3
72.85486	2.2
79.05489	4.8
81.07070	15.1
91.05491	10.3
93.07042	34.7
95.04955	22.5
95.08619	45.5
97.06531	12.5
105.07039	32.7
107.08596	28.3
109.06566	2.7
117.06995	17.3
118.15000	2.5
118.65704	2.4
119.08617	12.9
121.06495	5.6
121.10163	12.0
123.08053	16.2
130.07733	3.6
131.08591	3.1
133.06441	3.5
133.10091	5.1
135.08047	11.0
135.11702	5.0
143.08530	4.4
145.10144	46.1
147.08063	5.8
147.11690	4.4
149.09587	2.9
151.07515	23.4
151.47099	2.6
157.10178	4.7
159.08134	3.4
161.09639	3.7
163.11125	24.6
165.09105	6.4
177.09070	2.9
181.12178	3.3
185.13490	2.8
189.12738	4.2
212.68152	2.7
219.30959	2.6
221.15350	13.6
233.15424	3.1
242.61845	2.4
263.16281	3.7
325.21619	3.9
343.22650	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09010	0.9
55.01866	1.0
55.05512	6.6
57.03440	1.9
57.07077	4.4
67.05505	5.0
69.03439	2.4
69.07079	1.8
71.04995	8.6
73.81426	1.1
79.05497	5.6
80.57455	1.0
81.07063	14.2
83.04983	1.5
91.05484	8.8
93.07043	25.7
95.04977	23.2
95.08610	36.2
97.06522	5.5
105.07041	25.0
107.08595	25.3
109.06522	7.0
109.10179	2.2
117.07009	11.9
119.08580	11.3
121.06520	9.7
121.10145	8.2
123.07312	1.0
123.08032	9.2
125.06126	1.2
130.07770	5.1
131.08607	2.1
133.06499	2.2
133.10126	6.3
135.08055	11.4
135.11732	8.3
136.88734	1.1
137.09604	2.2
140.69218	1.1
143.08565	4.4
145.10127	40.4
147.08067	5.7
149.09662	1.4
151.07541	19.6
157.10165	1.6
159.07983	1.0
159.11624	3.8
160.16594	1.1
161.09592	5.0
163.11185	18.3
165.09108	9.8
171.11685	1.3
173.09552	1.3
177.09091	4.1
179.10724	1.2
185.13210	1.4
189.12730	5.5
203.14293	4.8
217.12410	1.3
221.15326	11.4
263.16498	2.0
290.79547	1.1
294.06119	1.4
325.21542	5.4
343.22678	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	8.2
55.14267	1.6
55.90265	1.7
57.07079	8.4
61.61556	1.8
65.52402	1.7
66.51180	1.9
67.05505	11.6
67.25893	1.8
69.03440	3.0
69.07068	4.0
71.04996	13.0
79.05494	9.8
81.07065	14.4
83.08605	3.8
91.05499	9.6
93.07050	29.6
95.04961	20.6
95.08610	36.2
97.06563	4.5
97.10162	2.5
105.07030	28.2
105.96449	1.9
107.08598	28.9
109.06498	3.8
109.10152	2.6
117.07043	12.3
119.08574	13.4
121.06448	3.3
121.10142	10.6
122.10546	2.2
123.08085	15.3
125.09618	4.0
125.38426	2.1
126.27941	1.9
131.08513	3.9
133.10143	4.2
135.08060	10.7
135.11702	4.8
145.10144	37.0
147.08104	3.9
151.07524	21.2
157.10115	3.1
161.09698	2.8
161.13266	3.3
163.11163	23.6
165.09108	4.7
167.05595	8.6
173.09651	2.4
187.11215	3.2
189.12764	4.8
203.14264	2.9
207.13692	2.4
221.15387	8.5
260.09552	2.3
263.16254	2.6
276.20544	2.6
280.26410	13.0
325.21744	3.3
325.29407	2.9
343.18585	31.4
343.22681	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63094	2.2
54.56186	2.5
55.05524	41.0
57.03437	4.5
66.29063	2.5
67.05511	30.9
69.03423	4.5
69.07066	13.4
71.04992	2.7
71.08632	20.9
73.17489	2.7
79.05492	33.7
81.02964	2.9
81.03431	80.7
81.07065	31.7
83.04987	15.0
83.08624	69.8
91.05489	13.4
93.07058	22.7
95.04982	51.1
95.08603	16.5
97.02895	3.0
97.10175	55.7
99.08096	13.3
105.06419	2.3
105.07032	21.1
107.04953	5.1
107.08607	36.0
109.06532	6.1
109.10155	12.0
111.04480	5.9
111.08105	13.9
119.08592	22.5
121.10156	13.9
125.09624	39.5
129.07005	10.9
131.08517	18.2
133.06483	5.1
133.10107	13.1
135.08046	6.6
135.11671	10.0
137.09602	4.0
139.11157	3.0
145.10139	6.3
147.11705	14.2
149.08424	3.0
149.09610	14.9
153.09055	3.5
157.10103	19.5
159.11758	2.9
163.11185	25.1
165.12755	5.1
175.11212	19.8
189.11247	4.2
193.12251	54.7
203.12791	14.2
207.13940	2.9
211.13261	61.1
223.13167	3.4
225.14798	35.7
275.20157	18.7
293.21088	100.0
307.22745	24.7
325.23746	63.2
343.73654	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	343.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.7
55.05512	13.4
57.03432	22.3
57.07070	3.2
66.05567	2.6
67.05508	30.5
69.07075	30.2
71.04984	24.7
71.08656	3.0
72.39700	2.2
78.46605	2.6
79.05481	34.0
81.07062	53.5
83.04963	5.7
83.08630	14.5
85.06517	4.4
90.49242	2.5
91.05495	19.5
93.07037	42.6
95.04963	11.7
95.08614	35.6
97.06503	12.7
97.10167	22.2
100.06655	2.3
101.18871	2.4
103.23824	3.0
105.07037	22.0
107.04951	3.3
107.08583	52.7
109.06519	14.9
109.10165	20.5
111.08080	17.7
117.07030	6.3
119.08578	25.5
121.10147	33.0
123.08071	4.7
125.09641	21.6
130.73785	2.7
131.08554	16.8
133.10123	13.8
135.08070	5.3
137.09575	4.5
139.11166	29.5
145.10141	16.2
147.11679	15.0
149.09631	13.9
154.12276	3.1
157.10231	2.7
159.11694	13.1
161.13292	5.9
171.11638	3.6
173.13231	10.6
175.14844	4.1
185.13242	5.7
186.14839	5.0
187.15012	11.2
189.11192	4.3
189.12779	5.7
203.12808	10.9
205.16000	4.7
217.14330	13.4
219.17508	4.3
221.15480	5.2
223.16957	4.2
239.17909	5.0
257.19061	15.3
275.20041	100.0
276.25314	3.0
289.21661	4.4
293.21121	47.1
307.22617	15.8
325.23816	6.7
343.24738	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	343.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	34.7
57.07088	5.2
67.05518	53.0
69.07066	27.2
71.05006	5.1
71.08635	9.0
79.05488	23.3
81.03426	5.8
81.07065	58.1
83.04986	8.5
83.08627	38.2
90.77079	4.3
91.05486	18.2
93.07051	32.6
95.04995	35.6
95.08621	51.9
96.72239	4.6
97.10162	45.2
99.08092	6.2
101.80433	3.9
105.07012	10.0
107.08603	30.9
109.10142	33.8
111.04412	5.7
111.08051	7.6
117.06998	4.9
119.08567	10.8
121.06497	6.1
121.10151	18.9
123.08051	4.8
123.11629	5.6
125.09618	41.4
131.08589	6.5
133.10120	21.0
135.08037	6.5
135.11682	16.0
145.10149	8.6
147.11661	5.6
149.09650	8.7
153.09138	6.1
159.11646	4.5
163.11177	29.4
187.13342	7.4
193.12292	7.3
203.12762	10.5
204.67625	4.8
223.19577	4.6
230.12059	4.7
243.02654	5.0
263.23776	5.3
275.20120	22.5
280.26279	21.1
293.21042	100.0
307.22626	29.5
307.28043	5.4
308.26508	16.1
325.23737	86.1
325.29453	7.2
327.42136	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	343.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52780	1.5
53.88205	1.7
55.01873	2.5
55.05526	17.9
57.03441	1.8
57.07077	8.9
67.05515	16.8
69.07070	35.9
71.05006	2.0
79.05505	10.8
81.07065	100.0
83.04987	28.8
83.08636	14.1
85.02922	2.9
85.06547	41.1
91.05477	3.7
93.07033	28.6
95.04965	3.1
95.08608	74.0
97.06544	18.7
97.10176	8.6
99.04470	2.4
99.08105	27.5
100.46592	2.0
101.52530	1.9
105.07032	18.8
107.08590	29.1
109.06517	20.0
109.10157	34.2
111.08097	10.1
111.11724	3.2
113.09639	4.4
119.05014	2.0
119.08581	11.9
119.09422	1.6
121.06517	4.4
121.10149	40.0
123.08075	2.0
123.11704	12.5
125.05975	8.3
125.09649	7.7
131.08577	2.7
133.10138	8.0
135.08142	2.0
135.11696	26.7
137.06027	6.8
137.13271	14.9
139.11186	3.9
143.07057	7.2
145.10143	18.3
145.35297	1.8
147.11670	13.1
149.13249	8.4
153.12715	2.9
158.50098	1.7
159.08090	2.6
159.11691	12.2
161.13254	4.3
162.01636	2.1
163.11142	11.9
164.46931	2.2
165.12766	3.0
173.09641	12.9
174.09084	2.1
175.14774	2.2
177.16405	26.0
178.08623	3.4
179.08980	9.7
187.11191	9.9
189.16409	3.1
191.10710	2.6
191.17967	3.0
195.17413	19.8
205.12207	8.9
209.19040	8.3
213.18480	39.5
215.10709	10.1
233.11743	7.6
271.24158	2.2
289.25259	12.5
307.26346	70.6
325.27393	34.3
343.13007	10.4
343.17368	33.1
343.28381	2.8
343.63187	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	343.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	12.8
57.03441	2.0
57.07067	7.3
62.24785	1.0
66.96736	0.9
67.05514	23.3
68.57693	0.9
69.07076	32.5
70.02959	31.7
71.05000	2.2
71.08630	2.1
74.02447	8.8
79.05502	15.0
81.07063	100.0
83.04984	5.1
83.08640	13.4
85.06555	19.6
87.05596	66.5
88.03992	52.3
91.05482	14.4
93.06474	2.0
93.07047	36.5
95.04979	7.9
95.07999	2.4
95.08611	74.8
97.06521	2.3
97.10175	9.0
99.08097	16.7
101.84978	1.4
105.07040	28.5
107.07922	1.9
107.08598	40.0
109.06504	7.2
109.07158	1.0
109.10165	46.0
111.08084	4.6
111.11718	7.2
116.03454	7.7
117.06996	1.5
119.08585	28.5
120.08068	1.0
121.09291	1.9
121.10146	43.6
123.08076	2.4
123.11701	31.2
125.09594	5.2
127.11170	2.0
129.12770	1.2
131.08543	4.5
133.06094	80.5
133.10126	17.0
135.11703	26.7
137.09641	5.3
137.13263	11.1
139.11163	6.4
141.08997	1.0
142.18805	1.0
145.10120	7.2
147.11682	60.9
149.13266	15.9
151.11137	1.4
151.14717	1.7
155.10689	1.8
159.11697	11.2
161.13264	15.2
163.14853	9.1
165.12737	21.6
167.14268	2.0
173.13297	2.4
175.14842	1.3
177.16399	14.7
177.75261	1.1
179.14198	1.2
179.17882	1.5
182.72287	1.1
183.13849	1.9
187.14835	2.1
189.16360	5.3
190.15889	15.4
192.13809	2.4
193.12378	1.2
195.17450	9.1
201.16385	1.1
211.96843	1.0
213.18517	22.1
215.17889	1.6
229.14381	2.5
233.19235	1.2
234.14940	1.7
262.14365	1.2
271.24210	6.3
277.25085	8.3
279.16977	20.1
280.15460	26.8
289.25266	18.4
295.26434	7.8
307.16476	25.3
307.26236	18.9
308.14871	12.8
313.27155	1.1
313.51382	1.1
319.44507	1.4
325.17633	12.1
325.27475	8.8
326.15979	13.4
343.12933	1.3
343.18564	14.3
343.28281	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	343.284
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15362	1.8
55.05513	22.8
57.07076	15.2
59.41228	2.5
64.59787	2.1
67.05507	17.1
69.07069	100.0
72.96761	2.1
79.05489	11.7
81.06618	4.8
81.07064	92.0
83.08633	28.7
85.02908	3.4
85.06546	12.2
91.05473	10.2
93.07044	65.9
95.04957	19.5
95.08608	69.4
97.06522	14.4
97.10173	14.7
99.08102	5.1
101.06000	2.7
105.07043	16.7
107.08602	32.8
109.06525	2.8
109.10159	52.9
111.08070	24.9
111.11701	23.1
116.52736	2.5
117.35730	2.4
119.08576	18.3
121.06496	3.8
121.10145	32.6
123.08035	3.2
123.11722	43.2
123.70847	2.3
125.09604	5.9
131.08611	3.6
133.10118	12.9
135.11678	16.1
137.13263	12.6
137.71388	2.4
138.09181	2.5
139.11191	16.9
145.10149	11.3
147.11685	21.1
149.13261	21.7
151.11147	3.2
151.14828	2.4
159.11665	10.0
161.13229	5.4
163.14749	2.9
165.12663	3.4
167.14284	4.7
172.62048	2.7
173.13196	3.4
175.14813	2.7
181.12273	3.0
184.48306	2.4
189.16376	2.6
214.66029	2.5
247.28998	2.4
271.24017	2.9
277.25171	3.3
289.25189	26.0
295.26321	29.9
307.26309	57.5
325.27365	20.5
343.08090	18.4
343.12152	3.1
343.16418	5.6
343.22882	3.7
343.28320	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	343.284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	13.0
57.07062	6.9
59.05027	1.7
61.67257	1.4
67.05506	21.6
69.07071	37.4
70.59706	1.6
71.04996	4.6
71.81589	1.5
79.05487	12.6
81.07064	100.0
83.04991	2.4
83.08620	13.0
85.06558	19.0
91.05498	7.8
93.07044	28.4
95.04963	9.9
95.08608	86.0
97.06543	3.5
97.10157	17.0
99.08092	16.5
105.07056	21.5
107.08598	39.9
109.10154	51.5
111.08060	3.4
111.11703	7.1
113.09649	2.1
119.08575	20.0
121.10143	47.2
122.82366	1.9
123.08121	2.1
123.11702	25.3
123.36848	1.8
125.09631	4.6
131.08504	2.1
133.10112	15.5
135.11687	28.6
137.09602	3.5
137.13240	12.5
139.11180	11.9
145.10123	10.0
147.11670	25.1
149.13211	19.0
151.14774	2.6
153.12730	2.5
155.10678	2.3
159.11716	8.0
161.13257	13.1
163.14781	4.4
165.12784	7.3
173.13293	4.0
175.14825	8.1
177.16435	13.3
181.12234	4.4
187.14716	3.2
189.16313	6.9
195.17401	10.6
205.64264	1.8
213.18440	18.7
271.24258	2.6
273.09027	2.0
277.25253	11.6
289.25247	26.1
295.26321	10.1
307.26260	29.3
311.10013	4.2
325.27472	14.9
335.93945	2.2
343.08032	13.3
343.12250	3.6
343.28503	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	343.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35404	0.2
55.94539	0.2
57.07085	2.8
57.80376	0.2
58.06596	1.1
65.65485	0.3
69.26237	0.2
71.08627	2.0
81.07043	1.2
83.08591	1.6
85.10173	1.9
93.10706	0.2
95.08156	0.2
95.08614	3.2
97.10172	0.5
106.30370	0.2
109.10146	2.5
123.11686	0.3
128.64429	0.2
148.94019	0.2
149.03688	0.3
165.16238	0.3
178.42618	0.2
183.17424	4.5
208.33975	0.2
208.64795	0.2
215.24637	0.2
226.45038	0.2
240.23201	100.0
265.73035	0.2
294.54126	0.2
343.29572	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	343.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69773	5.6
55.05524	11.2
57.07087	14.2
61.84415	6.6
63.63543	6.1
63.82446	5.5
67.05502	31.2
69.07061	28.4
71.08630	27.5
78.00021	6.4
81.07056	42.4
83.08624	30.2
89.15325	6.6
95.08611	42.0
97.10173	29.3
109.10170	36.0
115.41505	7.6
118.84617	6.3
172.13348	9.9
180.58948	7.0
245.22630	36.4
263.23816	48.9
276.40158	7.1
280.26392	100.0
298.27496	58.8
299.25797	15.2
336.16870	8.1
354.83691	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	343.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09389	4.7
54.33496	5.4
55.05514	8.3
57.07086	11.5
65.78796	5.5
67.05518	12.2
69.07060	30.8
71.08642	6.6
81.07062	33.5
83.08630	13.3
92.20836	6.1
93.07034	10.5
95.08607	39.2
97.06569	6.8
97.10181	8.7
101.06781	6.1
104.08205	6.6
109.10183	21.9
119.08525	7.5
121.10116	9.2
123.11716	10.5
131.35789	6.0
133.10146	11.9
137.05974	11.0
138.06308	11.7
139.06554	12.5
147.11649	7.6
149.04761	7.4
156.13852	14.8
162.47255	5.8
173.11687	6.2
185.13847	5.9
197.01367	6.7
245.22585	9.3
253.07465	37.4
255.55316	5.8
263.23715	27.8
271.08569	37.5
279.18646	12.2
280.26334	100.0
287.30939	6.4
297.06329	36.8
298.27396	36.0
343.14868	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	344.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60492	0.4
50.68716	0.4
53.39973	0.4
53.68199	0.4
56.67977	0.4
57.03416	0.4
58.36500	0.4
61.02924	0.8
65.81920	0.4
69.03426	1.9
70.06595	38.4
72.08160	0.6
73.02907	0.6
77.31617	0.5
79.23062	0.5
81.03423	1.1
82.69594	0.4
85.02909	14.9
86.09715	7.7
87.10041	0.8
88.04005	3.9
91.05469	1.0
97.02889	2.5
109.02867	1.1
116.07066	1.1
119.04943	5.3
120.08096	0.6
121.72313	0.4
123.04381	1.1
125.07130	2.3
127.03910	1.9
132.10190	0.7
145.04974	2.8
147.04411	100.0
148.04727	4.5
149.05946	1.1
155.08159	2.2
165.05466	36.0
167.08148	1.0
176.07071	7.2
177.05487	0.6
177.07834	1.8
178.08679	1.9
180.08636	2.2
182.08098	0.8
182.11688	0.5
184.03445	0.5
185.09200	7.6
194.08124	2.4
196.05995	0.6
200.14005	0.6
201.14305	0.9
207.07994	0.5
213.08609	3.7
223.67958	0.5
229.15504	6.8
263.07208	1.8
267.13324	1.1
280.06320	0.6
300.12308	0.5
309.09570	0.5
309.14584	0.8
311.11200	0.6
326.13760	1.0
326.17288	0.8
344.07373	1.8
344.14600	14.3
344.18265	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	344.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	1.0
61.33447	0.4
62.00557	0.4
69.03420	2.5
70.06577	0.8
81.03411	1.1
83.65777	0.4
84.08136	0.6
85.02906	15.3
86.09721	0.8
87.69284	0.4
91.03967	0.6
97.02880	3.7
105.41314	0.4
109.02868	0.6
115.03917	0.5
116.07121	1.8
119.04951	5.5
123.04426	1.0
127.03884	3.7
145.04964	2.7
147.04411	100.0
165.05467	47.7
165.64703	0.5
180.08685	3.3
182.08121	1.9
208.43993	0.5
224.06519	0.5
322.80005	0.5
344.13501	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	344.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63634	0.4
55.01876	0.5
57.03459	1.5
58.02984	0.7
61.02924	2.0
69.03432	4.6
70.06592	2.3
72.08165	1.0
73.02896	0.7
81.03440	0.7
82.02990	0.4
84.08154	0.9
85.02916	18.4
86.09713	5.9
87.04473	0.9
89.06020	3.0
91.05486	21.3
97.02888	3.8
99.04437	0.8
103.05472	6.0
107.04995	3.3
109.02889	2.0
111.06672	0.4
116.03373	0.4
116.07039	0.7
118.06542	3.5
119.02194	0.4
119.07334	2.8
120.08125	2.1
127.03909	2.7
129.10258	3.4
130.06535	0.9
131.04945	7.8
132.08073	1.1
133.08582	0.7
136.07587	100.0
145.04980	1.8
147.04431	3.2
149.06017	1.8
160.07581	1.7
165.05507	0.9
182.08127	51.6
186.12378	0.6
212.07008	0.6
218.06544	1.1
236.09262	0.8
326.12616	4.8
327.20200	2.9
344.13504	4.4
364.51956	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	344.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60089	0.9
58.91452	1.0
60.04525	5.1
60.05652	1.6
67.05499	2.0
72.76312	1.3
75.29978	1.0
79.05500	1.6
79.83094	1.0
83.08639	1.2
84.78320	1.0
89.23945	1.2
93.07034	1.7
95.08591	2.0
109.10200	1.3
110.07185	7.4
111.04440	2.4
119.08549	1.8
126.06621	17.7
133.10118	1.6
138.06613	4.9
143.08597	1.5
161.09706	1.3
174.83168	1.0
189.09160	1.3
191.78354	1.2
193.12225	2.4
202.13390	5.9
203.10609	2.4
206.11594	1.2
210.14854	1.2
212.11699	1.8
216.15910	1.2
220.14415	10.1
221.11774	2.4
230.12848	12.9
236.13904	7.2
242.17537	2.9
248.13934	26.8
252.17064	16.6
253.14397	6.8
268.16547	29.4
269.17279	5.1
280.16525	28.9
284.19675	4.7
312.19159	100.0
320.45099	1.4
344.21771	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	344.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60089	0.9
58.91452	1.0
60.04525	5.1
60.05652	1.6
67.05499	2.0
72.76312	1.3
75.29978	1.0
79.05500	1.6
79.83094	1.0
83.08639	1.2
84.78320	1.0
89.23945	1.2
93.07034	1.7
95.08591	2.0
109.10200	1.3
110.07185	7.4
111.04440	2.4
119.08549	1.8
126.06621	17.7
133.10118	1.6
138.06613	4.9
143.08597	1.5
161.09706	1.3
174.83168	1.0
189.09160	1.3
191.78354	1.2
193.12225	2.4
202.13390	5.9
203.10609	2.4
206.11594	1.2
210.14854	1.2
212.11699	1.8
216.15910	1.2
220.14415	10.1
221.11774	2.4
230.12848	12.9
236.13904	7.2
242.17537	2.9
248.13934	26.8
252.17064	16.6
253.14397	6.8
268.16547	29.4
269.17279	5.1
280.16525	28.9
284.19675	4.7
312.19159	100.0
320.45099	1.4
344.21771	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	344.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30822	0.8
55.05505	0.9
57.21592	0.9
62.84371	0.7
67.75985	0.9
70.06580	1.1
72.08150	6.5
72.32878	1.0
74.14338	0.9
82.15189	0.8
84.08134	2.0
86.09711	8.8
87.04492	1.4
89.06030	100.0
107.07015	1.2
116.07047	4.0
129.10252	3.6
131.74222	1.0
133.08606	33.7
147.04390	4.0
148.04712	1.9
148.25618	0.9
153.83202	0.9
177.11172	9.6
215.83429	1.0
217.74855	1.0
234.99100	1.6
283.17468	1.2
327.20111	77.6
344.22632	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	344.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75239	0.8
55.01877	2.2
55.05520	9.7
58.96639	0.8
61.96939	0.8
67.05489	3.6
69.07068	12.5
75.94960	0.8
79.05491	2.5
81.07050	2.0
83.08624	45.9
85.10177	1.9
86.09702	6.9
91.05470	1.3
93.07037	6.6
95.08620	9.8
97.06504	2.0
102.12357	0.9
110.09679	10.2
111.08080	53.1
121.06499	6.0
122.32017	1.0
127.44528	1.0
128.10716	36.0
129.09074	1.3
138.08127	1.4
138.09135	13.3
139.07544	64.3
156.10197	100.0
157.08604	8.7
174.11259	43.8
175.09659	4.9
234.13373	1.1
248.70718	1.3
310.04745	1.0
332.41101	1.0
344.31552	2.4
354.90714	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	344.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25876	0.5
54.90415	0.5
55.05516	2.8
58.12221	0.6
69.07062	2.6
70.06582	1.2
72.08154	42.6
73.02908	0.6
79.20893	0.6
81.07076	1.3
86.09705	100.0
89.06038	0.8
95.82499	0.7
98.09725	0.7
101.60283	0.6
120.36694	0.6
132.10146	2.2
163.12294	8.5
164.12675	12.6
177.05544	1.1
182.13629	2.4
185.16475	24.2
199.18073	1.2
213.15979	29.5
227.17500	3.9
230.60011	0.7
231.17046	3.9
245.18579	1.4
300.07379	0.6
328.03445	1.3
344.06879	6.4
344.17865	13.4
344.21671	1.6
344.25305	3.6
345.05057	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	344.2542
Annotation	Ile Val Ile
Peak:m/z	Relative Intensity
55.05521	1.5
58.85185	0.2
65.40649	0.2
70.06599	1.8
72.08156	63.9
75.41252	0.2
79.76471	0.3
86.09706	100.0
92.20792	0.3
100.07634	0.5
102.98111	0.3
105.07029	0.3
107.41845	0.3
114.09179	1.7
114.79187	0.3
127.92400	0.3
128.10696	0.3
128.36597	0.3
132.10197	2.9
154.20145	0.3
157.84846	0.3
163.56137	0.3
172.13353	0.3
180.07536	0.3
185.16484	38.4
193.23737	0.3
206.61021	0.3
213.15967	45.4
227.17436	0.3
231.16992	4.2
232.36079	0.4
344.21481	1.6
344.25278	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	344.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66526	0.4
51.72893	0.4
55.05513	2.4
56.05051	0.9
67.05514	0.5
70.06592	0.9
71.48113	0.4
72.08155	63.2
74.02463	0.4
74.06079	0.6
76.05132	0.8
86.09705	100.0
100.07624	0.6
111.08099	0.8
132.10179	2.5
153.12505	0.6
154.06117	2.3
155.06441	0.8
185.16479	37.6
212.16478	0.5
213.15973	46.0
231.17039	5.2
243.15244	1.1
308.22174	0.5
326.23428	0.5
328.28204	0.6
338.30344	0.5
344.15207	0.7
344.20367	9.4
344.25348	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	344.2793
Annotation	Lauroylcarnitine
Peak:m/z	Relative Intensity
52.77581	3.6
55.01873	4.3
55.05515	24.5
55.19283	3.4
57.03447	7.1
57.07086	7.4
67.05511	93.2
69.07069	26.8
70.35667	4.5
71.04997	7.2
71.08624	8.8
77.20453	4.1
79.05502	36.0
81.07070	94.1
83.04963	9.5
83.08633	36.4
85.06548	7.1
90.14911	4.0
91.05488	27.3
93.07051	60.8
95.04984	7.5
95.08591	49.4
97.06506	8.5
97.10165	19.2
99.08086	4.6
105.07039	20.2
107.08601	40.0
108.90225	5.1
109.10160	100.0
109.60507	4.7
111.08048	8.5
117.07033	5.8
119.08588	28.6
121.10141	28.0
123.11690	6.0
123.27655	4.8
125.09613	7.0
131.08603	5.1
133.10132	24.7
135.11742	9.8
137.09575	14.2
139.11185	17.7
142.22224	3.8
147.11687	18.3
149.13272	34.4
151.11171	7.4
155.10677	27.9
155.94437	4.8
157.10100	5.2
159.11691	10.6
161.13278	8.8
173.11737	60.6
175.14851	5.5
177.12672	8.2
187.13327	35.6
193.12277	6.8
195.13849	34.3
227.16368	8.3
231.21033	5.7
241.19308	5.7
259.20691	6.2
273.01294	5.3
277.21634	74.3
278.18552	5.3
291.23239	21.3
309.24146	17.9
344.25522	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	344.2793
Annotation	Lauroylcarnitine
Peak:m/z	Relative Intensity
55.01860	2.1
55.05515	20.7
67.05515	20.0
68.37337	1.9
69.03433	2.2
69.07065	4.0
71.08636	45.9
76.49555	1.7
78.50758	1.7
79.05495	10.2
81.07065	17.9
83.08621	28.0
91.05501	2.5
92.84645	2.1
93.07034	17.2
95.08604	3.3
97.10169	90.2
99.08086	29.4
107.08596	29.8
109.10157	10.8
111.08087	3.4
117.06997	2.1
119.08574	2.1
121.10227	2.6
125.09627	100.0
125.10558	3.5
126.12788	2.1
133.10104	3.1
135.08073	18.1
135.11699	9.3
145.10158	2.8
147.11667	3.8
149.13248	2.6
151.11172	10.2
153.09087	10.2
157.12204	4.3
161.13231	8.5
163.11121	2.7
171.10178	3.1
179.14328	2.0
185.11691	2.4
194.50436	2.0
203.12785	75.7
203.14569	3.7
225.18593	3.7
241.19405	3.0
259.20633	4.6
277.21640	37.0
291.23282	16.9
309.24231	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	344.2793
Annotation	Lauroylcarnitine
Peak:m/z	Relative Intensity
54.28580	3.5
55.01877	4.1
55.05518	28.4
57.03424	4.3
57.07074	7.4
63.65907	3.9
67.05508	81.1
69.03429	6.1
69.07068	52.2
69.27180	5.2
69.69042	4.1
71.05006	5.8
71.08635	33.1
79.05500	52.8
80.31509	5.0
81.03414	4.6
81.07063	87.6
83.04979	22.6
83.08598	35.7
84.44148	4.2
85.06539	10.1
90.09210	4.5
91.05499	35.5
93.07042	70.9
95.04964	17.9
95.08591	60.6
97.06522	19.1
97.10179	21.3
99.08089	23.4
105.07043	29.1
107.08601	56.6
109.06567	8.6
109.10162	40.2
110.91229	5.0
111.08129	7.2
117.07033	7.4
119.08576	25.4
121.10127	29.9
123.11662	6.8
125.09606	17.0
129.06970	6.4
131.08563	23.4
133.10130	41.5
135.08041	7.5
135.11687	25.0
137.09592	6.3
139.11205	42.0
140.14386	5.4
145.10143	4.9
147.11688	26.0
149.09711	5.1
149.13272	19.6
151.11194	9.9
157.10136	6.1
159.11652	9.9
161.13205	18.8
163.11160	8.1
173.11768	10.2
177.12714	5.4
185.13264	6.0
187.13281	20.3
193.12221	17.6
195.13754	5.8
203.12770	9.2
206.52678	4.9
241.19492	17.3
259.20572	20.5
277.21591	100.0
291.23157	55.3
309.24084	44.0
362.10922	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	344.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63235	4.7
55.01876	5.7
55.05528	11.4
57.03430	4.7
57.07084	9.3
60.04530	6.4
67.05507	62.0
69.07069	41.9
70.06607	4.3
71.04988	5.1
71.08642	30.8
79.05495	28.2
81.03413	8.2
81.07076	60.9
83.04983	8.3
83.08627	10.7
85.10195	22.4
91.05508	10.2
93.07068	53.4
95.05005	8.8
95.08619	100.0
97.06541	7.3
97.10191	24.1
99.08110	22.0
103.18125	5.6
105.06996	10.6
107.08603	36.2
109.10164	12.5
109.33900	5.5
113.09615	36.2
115.07591	26.4
119.08565	20.8
121.10135	70.3
125.09610	7.7
131.08612	10.3
133.10144	9.5
135.05481	7.3
135.08052	5.9
135.11720	12.8
139.11201	27.5
147.11690	29.8
149.09616	26.1
149.13225	7.1
157.12250	6.3
161.13173	8.1
163.11115	6.1
165.12721	10.4
167.10687	7.3
171.11713	5.0
183.13849	6.3
185.11726	12.6
193.12224	9.4
217.14383	10.7
256.26343	10.9
259.20621	8.2
277.21579	57.8
291.23242	6.0
295.22641	54.7
309.24319	22.2
317.44684	5.0
344.27927	9.1
344.31616	83.5
352.42374	5.9
362.40649	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	344.3158
Annotation	C2-dihydroceramide
Peak:m/z	Relative Intensity
54.55648	0.5
54.79254	0.5
57.07079	5.4
66.44064	0.6
67.05502	3.4
69.07079	3.2
70.06599	13.3
71.08620	4.2
78.87508	0.5
81.07047	3.1
83.08620	0.9
85.10169	0.8
87.04459	1.4
88.07631	53.5
93.07039	1.3
95.08607	3.6
97.06540	1.0
97.88895	0.6
106.08672	100.0
107.08617	1.0
109.10139	1.4
121.10106	0.8
123.11649	0.7
135.11687	3.6
153.12712	1.1
192.44524	0.6
212.23843	0.7
231.15909	3.4
277.21594	4.0
283.26306	14.1
284.29422	1.0
290.36774	0.6
295.22687	2.5
309.24164	3.2
311.47354	0.7
326.30573	2.7
339.80215	0.7
341.60489	0.7
344.31592	42.7
346.36542	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.3156
Annotation	C2-dihydroceramide
Peak:m/z	Relative Intensity
55.05518	50.1
57.07084	56.0
62.16451	2.8
66.60336	2.8
67.05512	28.5
69.07071	100.0
71.08625	14.6
79.05496	12.4
81.07065	59.9
83.08620	96.1
85.06491	4.0
85.10187	20.7
91.05473	12.6
93.07045	18.0
94.23855	2.8
95.08607	79.3
97.06532	6.0
97.10175	80.5
99.42409	2.6
100.07584	6.5
105.07022	10.6
107.08577	22.0
109.10143	49.1
111.08072	4.6
111.11715	30.1
113.09655	13.0
114.09156	5.2
119.08566	11.6
121.10146	23.9
123.11728	22.0
125.13271	12.1
127.11192	4.0
128.10741	3.2
133.10184	23.4
135.11676	14.7
137.09651	3.1
137.13248	7.2
139.11168	3.7
144.15549	3.0
147.11710	15.9
149.13286	7.3
151.14824	3.4
161.13226	11.8
175.14806	12.5
189.16452	4.6
228.19511	3.6
233.57631	3.7
273.25806	14.8
291.26758	40.8
308.29431	68.1
309.27838	14.5
324.72852	3.3
326.30508	97.0
327.29016	38.2
344.22885	12.5
344.31702	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	344.3157
Annotation	C2-dihydroceramide
Peak:m/z	Relative Intensity
51.18820	3.1
53.84504	2.5
55.05526	30.0
56.76950	3.2
57.07088	43.0
66.98882	2.6
67.05512	35.0
69.07073	61.4
71.08637	30.9
77.62131	2.8
79.05494	4.0
81.07059	60.8
83.08627	71.9
85.06567	4.2
85.10191	13.4
88.67054	2.8
91.05495	3.4
92.21503	4.0
93.07045	18.0
95.08618	56.5
97.06560	5.0
97.10162	47.5
105.07005	3.2
107.08604	13.8
109.10142	38.0
111.08087	4.2
111.11737	21.3
111.56700	2.9
119.08598	13.6
121.10135	14.4
123.11732	8.0
125.09638	4.5
125.13317	6.2
133.10121	7.8
135.11699	13.5
137.13307	5.5
139.11118	3.4
147.11670	12.3
149.13280	4.9
161.13242	13.0
166.18642	3.1
189.16444	4.3
193.19476	3.2
234.27470	4.4
250.97740	3.2
257.28543	3.8
273.25754	12.3
291.26837	38.7
305.31543	3.7
308.29462	52.0
309.27734	12.4
326.30524	100.0
327.28909	33.8
344.19067	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	344.3156
Annotation	C2-dihydroceramide
Peak:m/z	Relative Intensity
55.05517	28.7
57.07084	43.2
61.97105	3.1
67.05502	31.5
69.07070	74.2
71.08638	44.2
77.64518	3.0
81.07059	62.2
83.08617	60.0
85.06563	5.3
85.10177	14.7
93.07022	12.4
95.08594	57.2
97.06517	6.3
97.10179	43.0
100.07601	3.1
104.85474	3.2
105.07010	5.4
107.08591	12.5
109.10156	33.0
111.08075	3.7
111.11721	17.0
119.08577	5.6
121.10130	18.3
123.11706	20.8
133.10121	6.9
135.11664	5.6
137.13274	5.6
147.11649	7.5
155.14275	3.6
161.13237	5.1
165.12712	4.2
179.14273	4.0
273.25702	7.0
291.26782	15.2
308.29456	17.9
309.27704	13.7
310.87271	4.0
326.30521	100.0
327.28995	43.7
344.31497	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	344.3157
Annotation	C2-dihydroceramide
Peak:m/z	Relative Intensity
54.23557	4.4
55.05521	40.4
55.05739	4.8
57.07080	58.7
67.05502	39.3
69.07068	79.8
71.08630	37.6
79.05486	6.6
81.07059	86.7
81.38746	4.5
81.61417	4.7
83.08620	81.1
93.07059	12.1
95.08607	73.8
97.06535	8.7
97.10160	65.8
99.08094	7.2
105.07026	10.5
107.08580	11.3
107.69951	5.1
109.10177	43.1
111.08087	8.0
111.11732	28.9
114.09163	22.6
119.08598	9.7
120.46058	5.1
121.10112	19.8
123.11723	31.0
125.13216	6.1
133.10136	10.5
135.11691	10.5
137.13252	7.5
147.11708	7.8
149.13145	5.3
161.13164	6.8
180.62589	5.0
187.18736	5.5
189.16325	7.2
214.17981	7.2
273.25754	7.8
280.15665	8.0
291.26758	29.7
308.29486	69.7
309.27829	7.0
326.30392	100.0
327.28915	31.1
344.23010	5.7
344.31573	73.6
351.68362	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	345.0483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70105	5.0
51.54644	4.3
52.34514	5.2
60.11604	4.8
63.12465	5.9
71.49117	4.7
84.02327	5.8
85.11794	5.3
94.93015	27.9
96.40167	5.5
115.72053	6.0
128.74365	6.1
171.06145	6.2
172.05757	14.7
173.04077	26.4
188.04004	14.7
199.05577	9.0
202.89076	100.0
215.06268	9.1
231.07257	9.5
234.73811	7.8
284.83615	62.9
285.05719	13.4
302.08228	22.6
302.84689	8.4
328.06253	10.7
344.86029	10.1
345.00323	11.6
345.04828	50.3
345.08914	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	345.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06580	3.0
71.85874	1.6
72.08158	36.8
84.04507	1.8
84.08144	2.7
86.09696	11.0
97.19769	1.6
97.73946	1.3
104.25564	1.7
112.11248	2.0
120.68407	1.5
123.09173	1.8
129.10222	15.1
137.05942	3.1
157.09761	2.2
167.04518	2.0
171.11182	1.9
181.20972	1.8
183.11356	3.1
189.12363	7.7
256.16479	2.0
287.11035	3.5
345.09406	100.0
345.15134	37.4
345.21194	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	345.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
60.06347	0.7
62.73135	0.8
72.08156	16.7
86.09706	5.8
87.05603	1.0
102.07249	0.8
127.08656	5.5
132.10213	1.1
141.10205	6.0
143.11775	1.9
152.07025	1.2
162.63388	0.7
163.09563	0.9
169.09738	3.5
171.11366	1.1
175.10779	1.2
186.12360	10.3
214.11868	11.3
238.43346	0.8
301.12393	5.7
335.33438	1.0
345.11560	100.0
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	Unknow
Peak:m/z	Relative Intensity
52.80189	0.9
59.34706	1.0
69.07056	2.4
70.06583	1.8
70.47222	1.1
72.08159	14.2
75.38148	1.1
79.83315	1.2
81.07093	1.0
83.62245	1.0
86.09675	4.8
94.06577	9.0
97.75795	1.1
101.01688	1.3
112.07549	1.6
122.06017	24.3
129.10231	1.3
137.05936	6.5
140.06125	1.5
140.07082	29.5
146.05969	4.9
162.05403	1.7
172.03938	37.9
174.05403	2.9
190.04927	1.5
203.18265	1.3
204.06564	91.5
206.08101	15.8
214.11665	1.8
301.12341	5.3
313.11816	1.8
327.13046	1.2
331.12665	1.7
345.11304	100.0
345.14627	12.8
345.20944	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	345.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37130	0.2
61.04038	0.3
67.05501	0.2
68.99817	0.3
72.08156	2.1
73.08477	0.2
79.05488	0.4
81.03408	1.2
81.07076	0.3
83.08642	0.2
85.02887	0.4
86.09711	2.5
87.09412	0.3
87.10041	0.8
91.05451	0.3
92.20943	0.2
95.04971	0.4
107.04976	0.2
109.06514	1.1
119.04916	1.2
123.04404	0.3
137.05977	8.8
141.05464	2.6
147.04462	0.3
165.05469	32.6
177.05530	0.3
183.06525	100.0
185.16599	0.3
186.16763	0.4
193.12201	0.4
204.06569	0.3
213.15948	0.5
214.16345	1.1
237.52727	0.2
253.08568	0.3
280.55420	0.2
285.11252	0.3
324.16904	0.3
327.12332	0.3
345.11569	1.6
345.20126	1.2
360.46060	0.3
367.35031	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	345.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24944	0.8
55.05526	1.1
64.68027	0.9
67.05510	5.3
69.07076	53.7
79.05492	2.6
81.07063	14.8
83.08640	2.2
85.06531	11.1
91.05496	1.1
93.07037	2.3
95.08614	11.7
97.06528	2.2
99.08088	1.7
107.08580	4.5
109.06506	6.5
109.10184	5.5
111.08080	1.4
112.07583	1.6
121.10149	1.0
121.54630	1.0
122.06004	1.6
123.11726	4.1
124.07610	1.4
135.11716	1.7
137.13297	1.2
138.58145	1.1
140.07072	100.0
146.06030	5.5
149.13252	1.8
160.03929	1.7
172.03972	13.9
174.05423	8.4
178.08661	2.0
190.04967	6.4
192.06540	2.2
192.10291	1.7
198.09171	1.2
204.06560	37.5
206.08130	16.7
210.18594	3.9
212.10811	1.7
224.10713	1.1
227.21194	1.9
240.10193	10.9
268.09628	11.2
285.12622	2.2
291.26819	2.2
296.09113	4.3
300.12305	35.5
307.77066	1.1
309.27878	1.7
313.11584	2.3
327.09702	6.8
327.13205	1.8
327.28857	1.2
328.11972	8.2
331.12885	5.6
345.10706	8.3
345.14301	26.7
345.18802	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	345.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38048	0.4
55.05519	0.9
57.44855	0.4
63.44996	0.5
68.05041	0.5
69.07079	4.0
72.08163	15.5
78.84864	0.6
86.09705	2.1
94.06598	6.3
95.04960	2.2
108.08142	0.9
110.06018	1.8
112.07609	0.7
115.05127	0.6
116.04975	0.8
122.06033	26.4
123.04409	0.9
127.93078	0.6
129.10240	0.7
140.07079	32.1
141.07837	1.0
144.04449	2.6
146.06013	5.9
149.88303	0.6
162.05495	2.2
172.03928	49.1
174.05498	3.3
178.08650	1.0
186.12483	0.7
204.06564	100.0
205.07422	0.7
206.08124	17.6
214.11937	4.0
290.36383	0.6
300.12109	0.9
301.12592	2.8
313.11884	1.9
327.13248	0.8
331.12891	2.8
345.11484	41.5
345.14594	7.8
345.20746	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	345.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24944	0.8
55.05526	1.1
64.68027	0.9
67.05510	5.3
69.07076	53.7
79.05492	2.6
81.07063	14.8
83.08640	2.2
85.06531	11.1
91.05496	1.1
93.07037	2.3
95.08614	11.7
97.06528	2.2
99.08088	1.7
107.08580	4.5
109.06506	6.5
109.10184	5.5
111.08080	1.4
112.07583	1.6
121.10149	1.0
121.54630	1.0
122.06004	1.6
123.11726	4.1
124.07610	1.4
135.11716	1.7
137.13297	1.2
138.58145	1.1
140.07072	100.0
146.06030	5.5
149.13252	1.8
160.03929	1.7
172.03972	13.9
174.05423	8.4
178.08661	2.0
190.04967	6.4
192.06540	2.2
192.10291	1.7
198.09171	1.2
204.06560	37.5
206.08130	16.7
210.18594	3.9
212.10811	1.7
224.10713	1.1
227.21194	1.9
240.10193	10.9
268.09628	11.2
285.12622	2.2
291.26819	2.2
296.09113	4.3
300.12305	35.5
307.77066	1.1
309.27878	1.7
313.11584	2.3
327.09702	6.8
327.13205	1.8
327.28857	1.2
328.11972	8.2
331.12885	5.6
345.10706	8.3
345.14301	26.7
345.18802	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	345.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40511	0.5
53.07502	0.5
55.53167	0.5
67.05504	0.6
68.97590	0.5
69.07063	3.3
72.08152	2.6
72.61993	0.5
86.09683	0.6
94.06570	7.4
95.04951	0.6
98.58982	0.6
108.08128	0.7
111.56598	0.6
112.07610	0.8
122.06042	26.3
123.04470	0.7
137.05940	0.8
140.05981	1.1
140.07071	31.9
141.07863	1.0
141.10231	0.7
144.04482	1.4
146.05994	6.8
162.05524	2.9
172.03932	43.1
174.05484	4.4
178.08632	0.7
186.12337	2.3
204.06567	100.0
206.08136	19.4
206.09731	0.6
214.11879	1.2
221.29413	0.6
300.12250	0.8
313.11771	1.1
313.15167	0.6
327.13358	0.7
331.12857	2.7
345.11090	0.9
345.14548	14.7
345.26508	0.7
346.31689	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43991	0.4
55.05519	2.0
59.92789	0.4
68.05016	1.0
69.03400	0.5
69.07077	3.8
70.06615	0.5
83.04976	1.9
89.03940	0.5
94.06587	6.5
95.04958	0.9
95.08565	0.6
97.06568	0.6
97.10150	0.7
108.08107	1.9
110.06010	0.8
112.07617	2.4
116.64059	0.6
122.06030	27.0
124.07584	0.8
140.07071	31.9
144.04398	1.1
146.06009	6.6
147.06769	0.6
151.74210	0.5
162.05510	2.5
166.08521	0.7
172.03928	43.4
174.05501	4.5
178.08563	1.0
186.22797	0.6
190.04939	0.8
204.06563	100.0
205.07295	0.9
206.08125	19.1
231.05006	0.7
300.12292	1.8
313.11765	1.1
327.13272	1.1
331.12830	2.3
345.14569	14.8
369.40173	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	345.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62506	0.6
53.03952	1.5
54.10751	0.7
58.06603	5.1
58.52522	0.6
59.06953	1.2
59.69170	0.7
62.55071	0.7
62.73747	0.6
67.05520	0.8
69.03438	3.2
69.07068	2.9
71.04990	1.0
81.03448	6.1
85.02910	8.6
85.06557	1.1
94.06575	5.5
95.04988	1.1
97.02863	1.8
99.04456	31.9
110.06015	1.1
112.07580	1.1
113.06049	1.1
113.23115	0.8
115.26596	0.8
122.06022	25.2
123.04403	1.0
127.03938	3.1
128.15001	0.9
140.07077	31.5
141.07860	0.9
144.04437	1.5
146.06017	5.3
148.28189	0.7
153.66582	0.7
162.05455	1.1
171.60629	0.8
172.03923	45.6
173.92763	0.8
174.05519	4.3
190.04974	1.5
204.06561	100.0
205.07335	0.8
206.08138	18.1
214.40794	1.0
240.09993	1.3
268.09357	2.3
297.92007	0.9
300.12186	3.2
313.11838	1.4
331.12769	1.8
345.14398	12.3
345.18179	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	345.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
61.04043	0.4
65.03962	0.2
67.05482	0.6
68.05021	0.4
69.03424	0.3
69.07076	3.8
71.05009	0.3
76.88010	0.3
80.05019	0.3
81.03414	0.3
83.04974	0.2
94.06564	6.4
95.04961	1.6
97.06538	0.3
99.04460	0.5
107.69875	0.2
108.08102	0.5
110.06053	0.6
112.07589	2.4
116.04933	0.5
122.06026	27.6
123.04415	1.1
127.03914	0.4
132.18327	0.3
140.07065	32.1
141.07831	1.5
144.04442	2.6
146.05992	6.7
147.06793	0.3
162.05507	2.3
172.03920	45.0
173.04691	0.5
174.05533	3.8
178.08578	1.1
190.04970	1.6
204.06552	100.0
205.07358	0.6
206.08130	18.1
300.12247	0.5
313.11792	2.2
327.13437	0.6
331.12949	3.1
345.14401	11.8
345.19125	0.4
345.20425	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	345.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65293	0.3
51.81229	0.4
56.05042	0.8
57.76137	0.4
58.43650	0.4
67.05495	0.8
69.07086	3.3
72.08128	1.1
74.06084	1.9
80.05003	0.8
81.03429	0.5
81.07055	0.6
84.31791	0.4
86.09709	2.5
87.10034	0.6
94.06564	6.3
95.04964	1.9
97.06513	0.5
102.05539	0.5
110.06021	0.6
112.07592	2.6
122.05142	1.0
122.06031	28.2
123.04379	0.6
130.51128	0.5
140.07069	34.6
141.07852	0.9
144.04422	1.8
145.05232	0.5
146.06027	6.7
158.85223	0.5
162.05490	1.8
172.03923	43.9
174.05530	4.3
178.08638	2.1
178.60826	0.5
183.06517	0.8
190.05113	0.8
195.11821	0.5
204.06563	100.0
205.07387	0.6
206.06111	0.7
206.08119	16.6
214.16240	0.5
218.21953	0.6
300.12183	0.6
313.11868	2.1
327.13498	0.5
327.19113	1.8
327.22787	0.8
331.12955	3.3
345.14462	12.2
345.19125	0.8
345.20404	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	345.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38194	11.9
58.14543	12.7
60.13869	12.3
65.98489	13.1
67.05499	14.5
69.07063	22.3
71.11462	13.4
79.05513	18.1
81.07053	100.0
85.06512	13.7
93.07044	31.9
95.08605	92.6
98.97599	29.9
107.08617	26.8
109.10180	68.8
118.89529	14.9
121.10091	20.6
123.04476	22.3
123.08097	25.7
123.11698	26.3
147.11644	16.9
149.13197	16.4
160.36353	16.7
203.18149	14.4
291.19458	27.2
322.53268	15.2
345.21304	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	345.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.6
57.67733	0.5
58.68774	0.5
65.92596	0.5
82.66829	0.5
91.19783	0.6
95.08620	0.7
97.94318	0.5
109.10178	0.5
113.62357	0.6
121.96688	0.5
165.34006	0.6
180.29184	0.6
227.24966	0.6
235.13031	1.4
254.97224	0.6
345.20364	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2035
Annotation	13,14-dehydro-15-cyclohexyl Carbaprostacyclin
Peak:m/z	Relative Intensity
55.05523	2.1
57.07086	2.6
65.92169	1.1
67.05505	1.7
69.07069	3.2
81.07062	6.2
83.08620	3.1
95.08607	2.0
96.08929	2.2
97.10130	2.2
111.11686	1.4
117.64228	1.3
123.62068	1.5
137.06001	3.5
189.84866	1.4
213.23874	1.5
239.78328	1.8
278.18396	6.8
283.22357	1.7
309.29800	6.6
310.21039	1.9
327.30774	5.9
328.28955	1.7
345.20367	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.6
57.67733	0.5
58.68774	0.5
65.92596	0.5
82.66829	0.5
91.19783	0.6
95.08620	0.7
97.94318	0.5
109.10178	0.5
113.62357	0.6
121.96688	0.5
165.34006	0.6
180.29184	0.6
227.24966	0.6
235.13031	1.4
254.97224	0.6
345.20364	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.2
56.03046	2.3
56.05845	2.1
61.78897	2.3
67.05513	18.6
68.05827	2.9
69.07071	5.3
79.05497	6.4
81.07066	18.9
82.07399	5.3
83.08651	4.0
90.41196	2.5
93.07047	18.5
94.07402	5.1
95.08604	6.0
105.06963	2.8
107.08600	4.9
109.10161	18.0
110.10477	11.1
112.20345	2.6
121.10167	3.9
134.10378	2.5
135.11656	3.0
139.11166	4.3
140.11562	3.5
143.69083	2.7
157.69673	2.8
159.94164	2.6
173.11728	8.6
174.12097	5.2
187.13268	4.5
188.13603	4.9
196.14201	4.7
228.16690	2.9
278.21918	11.0
292.23529	4.0
345.16489	5.1
345.20358	100.0
345.24988	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	345.2035
Annotation	13,14-dehydro-15-cyclohexyl Carbaprostacyclin
Peak:m/z	Relative Intensity
53.02698	0.6
56.70875	0.5
72.09649	0.5
72.85596	0.5
80.52477	0.7
81.29923	0.6
134.21063	0.7
136.94023	0.6
171.27657	0.8
268.25909	0.6
310.73169	0.6
333.37213	0.8
345.20346	100.0
361.20212	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	345.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
71.17539	0.8
88.88562	0.9
108.46605	0.9
179.36591	0.9
180.50444	1.1
182.54262	1.0
192.14227	1.0
278.94284	1.2
298.60510	0.8
314.83276	1.0
315.26370	1.0
327.19232	19.7
345.20358	100.0
362.11063	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	345.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67824	0.5
55.05515	4.7
65.45107	0.6
70.06575	0.8
70.40977	0.6
71.37856	0.6
72.08157	100.0
84.08129	4.4
85.02895	1.4
86.09708	35.6
87.05575	5.5
92.05788	1.5
97.02909	0.8
110.06030	0.6
116.75368	0.7
124.07590	0.9
127.08684	3.3
127.39706	0.6
129.10228	3.7
131.04893	0.9
132.10194	2.5
136.07568	8.5
137.07912	8.1
141.10222	6.9
143.11795	25.9
166.08603	4.6
169.09679	6.9
171.11269	6.6
175.10783	18.5
182.08089	3.6
183.08505	6.4
186.12340	6.7
187.10725	3.6
197.09239	3.2
200.13951	2.8
211.10771	1.0
212.09178	7.6
213.16180	0.7
214.11842	17.4
225.15956	1.2
228.13429	1.1
229.11783	3.4
246.14528	5.2
270.18124	5.6
282.18149	1.1
288.84955	0.7
301.12503	1.2
328.18777	3.1
345.11496	38.9
345.21057	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	345.2132
Annotation	Asn Val Ile
Peak:m/z	Relative Intensity
50.41259	0.8
53.45363	0.8
55.05511	4.5
57.82286	0.8
58.16116	0.8
62.13445	0.8
70.06618	0.9
72.08158	100.0
74.02441	1.3
82.06583	0.9
86.09705	23.8
87.05590	13.2
88.03994	1.8
91.54462	1.1
94.42434	0.9
95.51933	0.8
96.08130	1.7
98.02407	5.1
99.04453	1.7
99.09213	2.2
110.02393	1.9
112.07629	1.3
115.05039	1.7
124.07623	3.5
127.08687	34.1
129.10211	1.1
130.08691	3.9
132.10197	15.8
141.09181	1.9
141.10236	45.8
141.11354	1.7
152.07037	14.0
157.09747	3.8
166.08650	1.0
168.13823	1.4
169.09726	28.1
186.12378	96.1
200.14027	1.1
214.11856	71.3
231.17046	1.6
239.86479	1.1
241.15474	1.0
269.15091	1.3
311.15991	4.2
328.18549	1.6
345.11218	1.2
345.21429	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	345.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57646	0.8
51.80138	0.9
53.55796	0.7
55.05522	1.2
56.05035	4.4
56.46739	0.9
57.07082	1.7
60.04531	42.9
60.04841	1.4
61.04863	4.4
67.05531	1.3
68.50360	0.9
69.04557	13.0
69.07074	1.1
69.60802	1.1
71.04996	5.5
72.04509	3.8
74.02430	1.5
74.06081	4.2
81.03421	0.9
81.07050	3.9
81.35009	0.9
87.77477	0.8
95.08598	3.8
96.05618	21.2
102.05543	4.6
109.06444	1.2
116.01676	1.2
116.08243	8.0
118.04970	1.0
120.06581	2.0
125.09670	1.0
126.12804	1.2
127.09142	1.1
128.08203	4.6
128.14384	1.6
135.07683	1.7
135.64294	1.1
144.13863	12.0
152.11830	1.4
154.15900	3.7
156.27943	1.1
158.02698	1.1
158.11757	6.0
159.12085	4.2
184.14441	1.2
194.16510	5.9
196.18056	2.1
212.17564	63.2
228.15869	1.4
244.20045	7.0
245.18597	1.3
268.20386	2.1
296.19724	6.1
313.22308	43.0
313.25955	1.4
323.41800	1.0
345.24878	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57646	0.8
51.80138	0.9
53.55796	0.7
55.05522	1.2
56.05035	4.4
56.46739	0.9
57.07082	1.7
60.04531	42.9
60.04841	1.4
61.04863	4.4
67.05531	1.3
68.50360	0.9
69.04557	13.0
69.07074	1.1
69.60802	1.1
71.04996	5.5
72.04509	3.8
74.02430	1.5
74.06081	4.2
81.03421	0.9
81.07050	3.9
81.35009	0.9
87.77477	0.8
95.08598	3.8
96.05618	21.2
102.05543	4.6
109.06444	1.2
116.01676	1.2
116.08243	8.0
118.04970	1.0
120.06581	2.0
125.09670	1.0
126.12804	1.2
127.09142	1.1
128.08203	4.6
128.14384	1.6
135.07683	1.7
135.64294	1.1
144.13863	12.0
152.11830	1.4
154.15900	3.7
156.27943	1.1
158.02698	1.1
158.11757	6.0
159.12085	4.2
184.14441	1.2
194.16510	5.9
196.18056	2.1
212.17564	63.2
228.15869	1.4
244.20045	7.0
245.18597	1.3
268.20386	2.1
296.19724	6.1
313.22308	43.0
313.25955	1.4
323.41800	1.0
345.24878	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28944	3.5
55.01873	3.8
55.05521	38.1
56.05845	4.8
57.03440	3.7
57.07079	48.2
58.07417	6.5
60.91377	3.3
63.29305	2.7
67.05518	42.8
68.35716	2.9
69.07066	83.2
70.07400	24.1
71.04992	4.4
71.08627	38.1
72.08971	4.3
75.29848	3.0
78.69642	3.5
79.05489	16.7
81.07060	91.7
82.07378	15.9
82.80192	3.4
83.04965	6.9
83.08613	55.5
84.08959	16.3
85.06557	4.4
85.10191	29.2
91.05469	7.8
93.07051	31.6
95.08611	85.7
96.08946	21.8
97.06532	7.4
97.10176	58.5
97.83049	3.6
98.10494	15.0
105.07040	6.0
107.08588	19.8
109.10165	29.7
110.10458	5.3
111.11724	19.9
112.12019	6.2
113.09638	26.4
119.08562	15.0
121.10130	48.5
122.10505	4.9
123.11673	5.5
125.09634	4.8
127.11214	6.0
131.08559	5.0
132.33241	4.6
133.10127	8.9
134.10493	5.4
135.11690	14.7
136.11992	4.1
137.13255	6.7
139.11182	30.8
147.11676	28.0
149.09602	7.6
149.13266	5.6
151.11145	3.7
155.10715	4.8
155.63730	3.6
161.13290	4.6
162.13536	5.3
165.12813	17.5
179.14427	4.7
183.13754	7.8
197.15334	5.8
200.16466	7.1
217.14287	7.4
224.29100	3.7
226.18846	3.5
277.21631	27.1
282.28677	4.1
283.12112	3.8
292.27051	24.0
295.22638	14.4
308.74948	4.1
309.24164	52.5
309.29800	17.5
310.28204	14.2
327.25220	7.7
327.30865	100.0
328.29181	56.1
345.10199	4.3
345.20242	21.9
345.27213	6.3
345.31436	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	346.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.6
55.05512	1.6
56.05027	1.0
58.99595	1.2
67.71325	0.7
70.06590	3.8
70.56068	0.8
72.08156	56.2
73.08493	1.6
76.02225	4.4
84.04488	3.8
84.08138	4.5
85.82841	0.6
86.09693	5.2
91.05485	4.5
99.51444	0.7
102.05527	7.3
105.00111	4.1
105.06324	1.5
105.07031	37.5
105.14569	0.8
110.07226	0.9
118.08655	5.1
119.08568	17.5
122.02715	39.3
123.08067	1.7
129.10243	1.6
132.01175	1.7
137.06033	1.3
137.09618	1.4
137.51819	0.8
143.08559	1.8
143.11781	1.8
144.12135	0.9
147.08049	58.4
161.09621	11.4
163.07549	3.0
165.09113	23.7
172.11676	1.2
183.11275	8.6
189.09094	15.5
199.04268	1.5
199.14398	1.5
201.12306	7.2
207.10156	100.0
225.11171	1.8
229.11826	20.7
239.07446	1.5
243.10645	1.0
257.08441	1.7
280.63470	0.8
329.10553	4.3
346.13013	17.4
346.19891	4.0
365.09113	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	346.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.8
57.03436	3.8
61.02932	11.3
62.44567	0.7
66.75378	0.6
69.03432	12.2
70.06580	1.3
71.04984	1.8
72.08140	1.1
73.02905	5.7
79.05497	1.1
81.03426	4.2
84.08177	1.0
85.02909	100.0
86.09710	26.3
87.04472	1.7
87.10030	1.1
91.03970	6.8
91.04443	0.7
97.02893	24.2
99.04456	5.9
103.05470	3.6
109.02879	9.1
115.03919	0.9
121.06503	76.1
123.55752	0.7
127.03931	23.0
128.96909	0.8
131.04938	4.4
139.07513	4.3
142.60265	0.7
143.13069	0.8
145.04955	35.5
148.27028	0.8
149.06001	1.9
163.06024	11.6
167.07036	17.0
180.08667	1.4
184.09721	1.7
199.18050	1.6
200.13885	0.9
227.17606	1.3
229.11815	3.1
274.98471	0.9
293.10156	1.2
329.12271	8.6
346.14966	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	346.186
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74031	0.8
55.01875	1.3
55.05523	1.3
57.03416	0.9
61.02928	2.3
69.03414	5.9
72.08154	2.3
73.02914	1.1
79.24174	0.8
81.03432	2.2
85.02908	34.1
86.09698	6.0
87.04477	2.3
93.77477	1.0
94.33262	0.9
95.04969	2.4
95.08583	0.8
97.02895	7.7
99.04496	1.3
99.17818	1.0
102.65903	0.9
107.04958	35.7
114.05526	17.9
121.06522	1.8
121.70917	0.9
127.03926	7.9
134.08131	1.2
142.04984	9.8
144.73656	1.2
145.04982	7.4
149.09618	100.0
160.06050	6.1
163.05978	1.0
180.08653	12.8
184.13326	13.2
185.16389	1.2
346.11853	1.7
346.18643	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	346.1972
Annotation	Glu-Val-Val
Peak:m/z	Relative Intensity
55.05537	2.9
62.32563	0.8
70.06593	4.0
72.08161	81.6
73.08475	3.7
73.51831	1.0
74.06076	1.6
82.06590	1.8
84.04501	2.0
84.08145	2.1
84.18510	0.8
85.02890	1.5
86.06081	1.0
86.09711	56.6
88.03999	10.4
98.02412	1.5
105.03397	1.2
118.08617	2.0
124.07580	1.6
127.08673	22.3
128.07065	4.2
129.63499	0.9
131.02684	0.9
132.10188	7.7
137.06006	1.3
138.09206	0.9
141.10262	5.0
142.08632	27.9
152.07063	4.0
156.10260	4.5
169.09702	11.7
170.08124	4.9
183.11313	1.7
184.09743	3.8
185.04060	1.0
187.10786	100.0
201.12341	31.7
214.11900	1.4
215.10275	52.2
215.11960	2.3
229.11844	14.0
241.78276	1.0
328.18567	1.6
346.15561	1.7
346.19772	5.2
346.26471	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	346.1972
Annotation	Glu-Val-Val
Peak:m/z	Relative Intensity
55.05537	2.9
62.32563	0.8
70.06593	4.0
72.08161	81.6
73.08475	3.7
73.51831	1.0
74.06076	1.6
82.06590	1.8
84.04501	2.0
84.08145	2.1
84.18510	0.8
85.02890	1.5
86.06081	1.0
86.09711	56.6
88.03999	10.4
98.02412	1.5
105.03397	1.2
118.08617	2.0
124.07580	1.6
127.08673	22.3
128.07065	4.2
129.63499	0.9
131.02684	0.9
132.10188	7.7
137.06006	1.3
138.09206	0.9
141.10262	5.0
142.08632	27.9
152.07063	4.0
156.10260	4.5
169.09702	11.7
170.08124	4.9
183.11313	1.7
184.09743	3.8
185.04060	1.0
187.10786	100.0
201.12341	31.7
214.11900	1.4
215.10275	52.2
215.11960	2.3
229.11844	14.0
241.78276	1.0
328.18567	1.6
346.15561	1.7
346.19772	5.2
346.26471	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	346.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20145	0.6
50.42949	0.5
54.57817	0.5
56.24471	0.6
67.05472	0.9
69.07047	0.7
71.04982	0.7
75.25528	0.7
79.57116	0.7
81.07067	2.8
83.08634	0.8
95.08617	3.1
98.97525	0.7
107.08555	0.7
108.48519	0.7
124.06309	0.6
152.86179	0.7
194.50427	0.9
233.11520	6.0
268.47839	0.8
277.21619	0.7
299.89096	0.7
346.19867	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	346.2336
Annotation	Thr Leu Ile
Peak:m/z	Relative Intensity
55.65354	0.4
56.05048	4.3
57.57518	0.4
58.06610	3.8
65.16966	0.5
74.05678	1.0
74.06081	21.6
82.15691	0.4
84.04508	5.3
86.09712	60.5
87.10002	0.6
87.62643	0.5
91.86724	0.5
98.09720	0.5
101.07147	30.7
124.11257	0.8
126.09172	1.2
126.12758	2.3
132.10226	2.9
142.12277	8.7
143.11806	11.6
169.13339	2.0
171.11264	0.5
187.14417	100.0
215.13913	51.7
221.15753	0.5
242.27734	0.4
245.18674	3.5
304.60107	0.5
328.22128	0.7
346.23413	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	346.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05039	4.6
58.06604	3.3
66.69745	0.6
69.07058	4.1
71.94458	0.5
74.06078	20.7
76.90938	0.6
84.04507	5.2
86.09708	71.9
94.06562	1.1
98.09671	0.7
98.97565	3.9
99.19304	0.7
101.07145	30.9
102.05556	2.5
111.92436	0.6
113.74688	0.8
116.98611	1.1
119.08213	0.7
122.06073	1.0
124.11227	2.6
126.09119	2.7
126.12805	0.9
132.10223	3.7
140.07065	1.4
142.12280	17.0
143.11771	8.6
145.45131	0.6
146.11739	6.3
152.10680	1.3
155.08116	1.5
158.99669	1.5
169.13397	1.2
170.33165	0.7
171.64244	0.7
172.03912	1.4
173.01234	1.5
173.04265	1.4
173.09258	0.9
177.00621	0.8
187.14412	100.0
201.08780	0.9
204.06567	4.0
205.06905	6.0
215.13907	50.4
233.14932	1.6
244.99736	2.8
259.25052	0.6
287.28156	0.7
328.18738	0.7
328.22333	0.9
338.35138	0.7
346.15622	1.0
346.23282	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	346.2335
Annotation	Thr Leu Ile
Peak:m/z	Relative Intensity
56.04817	0.4
56.05043	6.0
58.06609	3.7
68.62263	0.4
70.06564	0.5
72.11394	0.4
74.06081	23.3
84.04513	4.4
86.06030	0.8
86.09705	60.9
87.05587	1.8
87.10030	0.5
98.09693	1.7
101.07142	29.8
102.05506	0.7
102.68392	0.4
103.44881	0.5
107.01158	0.5
120.08054	0.7
124.09933	0.5
124.11268	0.6
126.09116	1.9
126.12785	2.2
132.10220	3.5
134.05249	0.5
142.12286	10.4
143.11797	10.8
152.08496	0.4
169.13313	2.8
187.14406	100.0
215.13899	49.4
233.14940	0.6
245.18552	2.1
262.77667	0.4
267.82098	0.4
283.90466	0.5
346.23303	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	346.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24195	2.8
51.97059	2.8
55.05517	18.3
64.46317	2.9
65.20979	2.9
67.05507	55.3
69.07056	28.3
71.04980	3.3
72.48403	3.5
77.85548	2.9
79.05501	23.1
81.07065	61.0
83.08635	27.3
85.06520	3.2
87.62027	3.5
91.05478	21.8
93.07043	35.4
95.04954	5.2
95.08607	33.7
97.06521	12.9
97.10199	25.5
105.07027	23.2
107.08588	44.3
109.06558	5.4
109.10185	39.9
111.08080	4.6
111.85490	3.6
117.07042	7.4
119.08573	18.2
121.10132	21.3
125.09632	21.1
131.08578	14.2
133.10110	18.9
135.11694	22.9
137.09636	4.2
145.10165	14.3
147.11652	13.4
149.09656	8.1
149.13271	23.7
151.11180	4.3
155.10680	21.3
159.11723	14.4
165.12831	4.0
173.11748	41.1
177.12762	6.8
179.14255	4.8
189.11176	6.8
194.23206	4.6
195.13820	36.8
213.14900	38.3
257.18933	6.5
275.20038	100.0
293.20969	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	346.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47626	0.4
60.04532	100.0
81.07032	0.6
83.08607	0.9
90.83824	0.5
97.10151	1.3
98.10445	0.5
99.08112	0.6
107.08566	0.7
110.78105	0.5
125.09627	3.0
142.12291	1.3
153.09160	0.5
160.13344	10.2
169.37405	0.6
173.11719	1.3
196.13297	2.2
211.13322	4.6
275.19858	0.6
283.77478	0.6
293.21201	1.0
346.25873	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	346.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59917	2.0
55.01876	2.5
55.05524	21.6
67.05523	26.5
69.03427	3.6
69.07057	10.0
71.08628	10.6
73.50510	2.2
79.05489	17.6
81.03424	10.3
81.07058	27.5
82.04100	2.2
83.04968	4.1
83.08632	27.2
91.05479	12.7
93.07044	18.6
95.04984	20.4
95.08619	27.8
97.10182	38.0
99.08117	9.2
105.07040	2.9
107.08611	22.4
109.10159	16.2
111.04398	3.1
111.08067	5.8
113.09641	5.5
117.07022	3.4
119.08605	2.4
121.10116	22.5
123.11697	2.7
125.09644	37.0
126.17709	2.4
131.08565	10.2
133.10147	10.1
135.11713	9.3
137.09636	3.3
139.11154	4.6
145.10149	5.3
147.11656	4.3
149.09660	8.7
153.09085	4.7
155.10651	3.1
157.70335	2.4
159.11682	3.6
163.11215	23.3
165.12724	3.9
173.11765	5.9
177.12695	4.7
181.12233	3.2
189.11237	13.4
190.06459	2.9
195.13835	4.5
211.13373	4.0
223.13254	6.0
242.00615	3.6
275.20007	16.4
278.78070	3.1
293.21109	100.0
310.99088	3.0
311.22171	96.3
346.25882	3.5
365.34860	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	346.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	6.6
60.75596	2.3
67.05499	19.6
69.07054	4.3
71.04985	5.3
72.74060	2.8
79.05492	7.5
80.36254	2.9
81.07057	52.2
83.08627	3.0
85.02193	3.2
85.06548	5.1
91.05462	3.5
93.07050	24.2
95.08604	41.2
105.07031	12.3
106.71239	2.8
107.08589	20.4
109.10155	13.6
110.59078	2.9
111.19569	2.8
115.07549	3.9
117.07031	5.2
119.08566	12.3
121.10146	15.8
131.08508	10.6
133.10114	15.7
133.35123	3.1
135.11656	3.8
142.07750	2.9
145.10149	11.6
147.11717	3.9
159.11685	12.6
173.13211	14.5
177.12833	4.3
185.13213	3.4
203.14240	4.3
205.15825	5.4
206.01534	3.3
209.15370	5.9
219.17387	5.4
221.15382	13.6
223.16953	12.2
235.16815	3.4
250.81799	3.5
257.18970	14.2
275.20056	100.0
293.21188	28.2
302.33630	3.5
351.30902	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	346.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
83.75455	0.7
101.98415	0.7
106.84011	0.6
141.85570	0.7
207.31383	0.7
235.39336	0.7
346.27155	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	346.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24374	0.5
57.34550	0.5
60.68011	0.5
63.81489	0.6
66.17517	0.6
70.14509	0.6
275.26181	0.8
307.93903	0.6
331.17422	0.7
346.27167	100.0
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
52.85960	0.4
57.03445	6.0
57.07086	0.6
60.04509	0.3
66.19321	0.4
66.95390	0.3
69.07069	0.4
72.37829	0.4
81.07090	0.6
88.07656	0.4
93.07027	0.5
95.08605	0.5
101.06026	100.0
242.24893	0.7
260.19070	0.4
265.02921	0.4
298.27582	0.5
346.29572	29.6
346.33203	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	346.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66980	0.5
57.07079	6.2
58.23884	0.5
58.43605	0.5
70.06591	9.8
71.08627	1.5
85.10159	1.4
88.07634	21.4
93.59317	0.5
102.09183	14.6
124.06828	0.6
146.11758	0.8
240.27013	0.7
284.29465	69.0
328.31949	5.1
346.26950	2.6
346.33154	100.0
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
53.15689	0.4
54.59047	0.4
57.07079	3.7
58.06597	0.6
60.41336	0.4
70.06596	8.3
71.08614	2.3
80.30112	0.4
85.10172	0.5
87.28477	0.5
88.07629	20.7
88.71637	0.5
99.57841	0.5
102.09186	14.5
104.73923	0.5
113.78759	0.5
125.28384	0.5
132.10196	0.7
146.11717	0.7
148.63489	0.5
150.11284	0.9
171.11157	0.6
223.56561	0.5
240.26894	2.1
265.51706	0.4
272.11823	0.6
284.29465	68.5
328.32181	4.7
334.38403	0.5
346.27155	10.6
346.33151	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	346.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54702	0.4
56.24189	0.4
57.07088	4.7
58.06610	0.5
64.73349	0.4
65.43900	0.5
66.94238	0.5
70.06595	8.5
71.08626	1.2
85.10180	0.5
88.07632	24.4
98.81348	0.6
102.09184	15.1
113.74158	0.5
132.10225	0.8
146.11754	0.6
150.11208	0.5
240.26857	1.1
284.29477	66.8
328.32037	5.1
346.33154	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1827
Annotation	Ala Glu Lys
Peak:m/z	Relative Intensity
50.44582	0.6
52.24444	0.7
60.85580	0.6
70.99647	0.8
110.46579	0.8
198.20464	0.8
261.14618	6.2
306.10782	0.9
347.18301	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79521	4.6
65.53815	5.2
66.02186	5.3
69.54631	4.8
74.67175	5.2
76.28277	5.8
76.29464	5.0
81.07095	6.2
100.76791	5.4
105.52618	5.3
136.86142	5.3
164.71851	5.6
194.97887	6.1
200.34256	5.5
322.51965	7.1
347.19504	100.0
347.29449	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	347.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05480	6.1
79.05566	5.7
81.07062	5.9
87.24925	4.8
95.08598	8.9
101.18365	4.7
101.19252	4.6
102.82430	4.7
107.08638	6.0
109.10148	6.7
308.58725	5.7
319.09692	6.6
347.19711	100.0
347.26331	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	347.219
Annotation	Cortexolone
Peak:m/z	Relative Intensity
57.14168	0.6
81.56865	0.8
90.38552	0.7
92.21411	1.2
175.61238	0.6
210.08801	0.7
347.21896	100.0
347.27432	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	347.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32769	0.6
51.62330	0.5
59.89707	0.6
63.71628	0.6
73.42724	0.7
98.43410	0.7
157.42271	0.7
261.14633	1.1
347.21933	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.7
64.58907	1.2
67.05496	2.9
67.60712	1.2
71.08602	2.3
79.05489	1.8
81.07047	3.5
83.08595	1.8
89.77106	1.6
93.07043	2.9
95.08620	3.0
95.88077	1.6
96.95782	1.4
107.08599	7.0
121.10145	6.0
133.10103	2.7
135.11722	2.6
144.80814	1.5
154.52156	1.5
173.13258	1.6
215.18239	1.6
257.64734	1.5
347.21881	100.0
347.27582	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	347.2191
Annotation	Cortexolone
Peak:m/z	Relative Intensity
57.56150	0.7
135.44818	0.9
142.10800	0.7
172.49171	0.8
198.59877	0.8
252.22005	0.8
347.21921	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	4.7
55.05508	12.5
57.03435	9.9
67.05514	42.5
69.07076	30.3
71.04993	39.0
72.65054	6.6
78.86680	5.4
79.05505	24.0
81.07056	58.8
83.05000	13.5
83.08620	35.9
85.06554	8.8
91.05481	26.6
93.07047	59.8
95.08595	45.7
97.06505	11.5
97.10178	26.5
99.08109	5.1
100.54041	5.5
101.82619	5.8
105.07032	24.5
107.08589	51.5
109.06531	38.8
109.10156	32.1
111.08083	31.8
111.11731	7.6
119.08570	23.0
121.10186	44.6
123.08073	6.5
125.09615	25.8
131.08598	11.4
133.10176	21.3
134.17729	4.9
135.08083	5.6
139.11174	27.7
145.10114	8.1
147.11684	8.1
149.09615	10.9
154.46138	6.2
189.11125	6.1
203.12781	43.2
214.72633	6.9
215.80371	5.7
219.17467	10.8
236.93539	5.1
257.18970	8.4
275.20007	100.0
293.21103	87.8
311.22055	45.3
317.89093	6.6
318.10214	6.9
347.23965	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	348.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	1.4
58.81037	0.2
69.03436	1.3
71.51131	0.3
72.08167	0.7
74.06087	0.5
76.05153	0.3
84.04523	2.3
84.08136	1.3
85.02919	4.5
86.09695	3.8
90.05604	0.3
97.02905	2.7
98.98470	2.7
102.05495	0.4
106.05035	0.3
115.03901	0.4
129.10257	0.6
130.05000	1.5
130.10588	0.4
136.06195	100.0
141.06641	0.3
144.06606	0.6
152.05707	0.4
153.06572	1.2
164.99486	4.9
167.09290	0.3
168.05049	0.3
173.12827	0.6
199.07071	0.6
199.52383	0.3
201.12332	0.4
215.13940	0.6
216.14110	0.3
227.01964	0.3
231.09743	0.4
231.67427	0.3
330.17819	0.5
348.07025	20.2
348.13409	2.6
348.19321	1.9
348.23157	0.5
351.75082	0.3
353.11551	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	348.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17370	0.4
57.79402	0.5
58.37469	0.3
65.03947	0.6
71.16241	0.3
75.98097	0.3
77.99570	0.4
88.03999	1.8
91.05482	100.0
107.85036	0.4
118.18820	0.5
150.72951	0.4
151.02170	1.6
153.00011	0.7
168.99542	30.7
194.02689	2.3
240.03212	1.7
259.04297	2.6
302.08487	0.7
348.09009	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	348.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04524	0.3
92.21060	0.4
92.39398	0.2
95.08595	0.3
108.50025	0.2
136.06190	0.4
157.10182	0.2
167.27803	0.2
187.13792	0.2
212.14142	0.2
221.55994	0.2
231.20099	0.2
243.21355	0.2
267.71017	0.2
299.76321	0.3
318.08566	1.0
320.10330	1.0
321.08682	1.3
333.07330	1.5
348.09787	100.0
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
50.10436	0.1
56.12537	0.2
59.40113	0.1
67.05479	0.2
68.45532	0.1
69.07074	0.2
74.37009	0.2
81.07057	0.3
89.31884	0.1
91.05505	0.2
93.07054	0.2
95.08574	0.2
109.10157	0.3
123.17144	0.2
127.68504	0.2
133.10118	0.2
136.06186	0.7
149.02322	3.1
159.06561	0.2
193.04968	0.9
219.63295	0.2
277.21558	0.2
290.08102	0.8
290.11508	0.2
292.71930	0.2
294.24435	0.2
304.09634	0.9
305.10501	0.3
318.07669	2.4
318.11075	0.4
320.12759	3.2
330.11237	0.8
332.09204	1.3
333.09949	2.8
346.10547	0.8
348.12286	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	348.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89445	0.3
57.03444	0.4
60.38893	0.3
61.02922	2.4
69.03432	3.0
72.84602	0.3
73.02905	0.5
79.09256	0.3
79.90337	0.3
81.03428	1.6
84.04510	0.5
84.08122	0.4
85.02911	21.3
86.09698	1.7
87.04459	0.6
87.25308	0.3
91.03963	0.9
91.05473	4.4
95.04981	1.5
97.02905	4.9
99.04457	1.4
100.07629	0.7
109.02882	2.6
110.61304	0.3
113.95577	0.4
119.04932	5.2
127.03934	5.1
136.06186	0.5
137.06056	0.4
145.04990	3.3
151.07544	100.0
163.06003	0.4
165.09094	1.7
169.08604	14.8
174.32877	0.4
180.08643	3.1
181.08585	0.8
189.09088	0.6
193.08649	1.7
201.12286	0.7
205.08719	0.4
213.12396	0.8
235.09630	0.5
259.09546	0.4
277.10706	1.9
289.50751	0.4
295.11761	0.7
348.16687	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	348.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89445	0.3
57.03444	0.4
60.38893	0.3
61.02922	2.4
69.03432	3.0
72.84602	0.3
73.02905	0.5
79.09256	0.3
79.90337	0.3
81.03428	1.6
84.04510	0.5
84.08122	0.4
85.02911	21.3
86.09698	1.7
87.04459	0.6
87.25308	0.3
91.03963	0.9
91.05473	4.4
95.04981	1.5
97.02905	4.9
99.04457	1.4
100.07629	0.7
109.02882	2.6
110.61304	0.3
113.95577	0.4
119.04932	5.2
127.03934	5.1
136.06186	0.5
137.06056	0.4
145.04990	3.3
151.07544	100.0
163.06003	0.4
165.09094	1.7
169.08604	14.8
174.32877	0.4
180.08643	3.1
181.08585	0.8
189.09088	0.6
193.08649	1.7
201.12286	0.7
205.08719	0.4
213.12396	0.8
235.09630	0.5
259.09546	0.4
277.10706	1.9
289.50751	0.4
295.11761	0.7
348.16687	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	348.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07304	2.7
54.62656	3.0
55.01874	3.7
55.05515	21.1
57.03437	5.6
67.05515	79.5
69.07056	19.6
71.05019	3.8
71.08637	26.0
79.05488	22.7
81.07064	71.1
83.04975	6.6
83.08620	41.6
85.02094	3.5
90.57505	3.5
91.05469	21.9
93.07026	51.1
95.08629	30.0
97.06522	7.0
97.10171	26.5
99.08092	23.2
105.07057	6.1
107.08600	32.8
109.06539	5.9
109.10165	95.4
111.08074	16.9
111.85986	4.0
117.06991	4.6
119.08570	13.8
121.10124	19.7
123.11723	4.6
125.09634	30.0
131.08638	8.0
133.10187	23.9
135.08040	3.7
135.11697	21.1
137.09555	3.5
147.11784	4.1
149.13257	45.0
151.11136	24.1
153.73985	3.5
155.10660	44.8
159.11676	17.3
161.13214	13.4
165.12762	4.4
171.10135	6.6
173.10405	6.2
173.11748	100.0
179.14265	7.6
189.11229	20.9
195.13789	59.6
213.14862	47.2
259.20447	4.3
277.21606	66.4
295.22675	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	348.2872
Annotation	O-Arachidonoyl Ethanolamine
Peak:m/z	Relative Intensity
69.24461	0.6
71.21976	0.6
90.34425	0.6
136.06194	1.1
187.29268	0.6
313.58322	0.7
348.28723	100.0
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	O-Arachidonoyl Ethanolamine
Peak:m/z	Relative Intensity
56.67972	0.6
59.72462	0.5
69.07063	1.0
70.06596	0.7
81.07080	2.5
83.04980	1.2
95.08627	1.1
117.76176	0.9
136.06181	1.7
152.14366	6.7
153.12708	0.7
163.31651	0.7
219.25162	0.8
271.69229	0.8
286.30130	4.3
302.24506	1.1
348.22504	11.2
348.28720	100.0
348.33646	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	348.2869
Annotation	O-Arachidonoyl Ethanolamine
Peak:m/z	Relative Intensity
53.23116	1.5
94.35867	1.5
99.47210	1.4
116.39886	1.5
135.09854	1.7
136.06195	10.6
139.02835	1.6
146.08752	1.5
219.17337	2.8
235.08203	1.5
348.28784	100.0
362.83795	1.8
373.83224	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	348.2871
Annotation	O-Arachidonoyl Ethanolamine
Peak:m/z	Relative Intensity
50.92728	0.5
51.25454	0.6
56.01682	0.7
66.89572	0.6
76.78575	0.7
80.66533	0.6
82.72537	0.7
88.58277	0.6
117.51801	0.7
136.06134	0.8
181.13554	0.7
235.90491	0.7
348.28726	100.0
353.08072	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	O-Arachidonoyl Ethanolamine
Peak:m/z	Relative Intensity
54.27551	1.0
95.36126	1.2
97.44876	0.9
102.81055	0.9
136.06163	1.0
232.28328	1.0
269.03470	1.0
293.07883	1.0
348.28699	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	348.2869
Annotation	O-Arachidonoyl Ethanolamine
Peak:m/z	Relative Intensity
51.30310	1.3
60.94242	1.3
76.80770	1.6
79.82507	1.5
91.96822	1.5
93.81075	1.8
101.47147	1.5
103.98199	1.4
152.59576	1.6
192.25844	1.4
205.09236	1.6
243.05290	1.7
311.57944	1.8
348.28717	100.0
369.22552	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	348.2871
Annotation	O-Arachidonoyl Ethanolamine
Peak:m/z	Relative Intensity
58.39372	0.7
59.49228	0.7
65.76166	0.7
98.26497	0.8
153.88351	0.8
277.78012	0.9
348.28741	100.0
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	O-Arachidonoyl Ethanolamine
Peak:m/z	Relative Intensity
57.34304	0.3
58.60182	0.4
66.56290	0.4
72.37719	0.4
73.28140	0.4
78.98257	0.4
136.06174	1.5
150.38120	0.4
166.94624	0.4
169.41663	0.4
185.41684	0.5
198.93396	0.5
219.17429	3.4
348.28726	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	348.2872
Annotation	O-Arachidonoyl Ethanolamine
Peak:m/z	Relative Intensity
52.92820	0.6
57.20628	0.6
59.24612	0.5
74.21172	0.5
75.58437	0.5
80.57227	0.6
98.22810	0.6
102.12354	0.6
112.62856	0.7
134.29076	0.6
155.71835	0.7
168.24544	0.7
296.74884	0.7
302.24551	0.8
348.28735	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	349.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04536	2.7
60.06078	1.4
60.94273	1.5
65.77798	1.6
66.38213	1.6
70.06590	2.3
72.08157	3.5
84.05648	7.7
84.08149	3.6
85.02930	2.4
86.09730	9.3
93.07074	1.4
93.83090	1.7
104.25894	1.5
120.08176	2.7
126.06653	4.0
132.95842	2.4
137.05951	2.3
146.06068	9.0
147.04405	19.3
155.04465	1.9
158.97440	8.6
170.05980	2.5
173.12802	2.5
174.13217	2.2
176.98677	1.7
186.96895	3.1
188.07056	20.4
203.05247	19.3
205.09773	2.8
206.22964	1.8
216.98077	10.9
234.99004	94.0
253.00131	8.5
277.00089	11.5
303.05252	23.5
331.05011	2.6
349.09109	100.0
349.14914	11.3
349.18961	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	349.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04536	2.7
60.06078	1.4
60.94273	1.5
65.77798	1.6
66.38213	1.6
70.06590	2.3
72.08157	3.5
84.05648	7.7
84.08149	3.6
85.02930	2.4
86.09730	9.3
93.07074	1.4
93.83090	1.7
104.25894	1.5
120.08176	2.7
126.06653	4.0
132.95842	2.4
137.05951	2.3
146.06068	9.0
147.04405	19.3
155.04465	1.9
158.97440	8.6
170.05980	2.5
173.12802	2.5
174.13217	2.2
176.98677	1.7
186.96895	3.1
188.07056	20.4
203.05247	19.3
205.09773	2.8
206.22964	1.8
216.98077	10.9
234.99004	94.0
253.00131	8.5
277.00089	11.5
303.05252	23.5
331.05011	2.6
349.09109	100.0
349.14914	11.3
349.18961	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	349.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.3
56.05048	1.6
57.03442	2.0
57.81547	1.4
64.39201	1.7
69.03428	11.8
70.06598	7.3
70.37018	1.5
71.05001	7.1
72.08167	2.8
74.06091	6.9
76.69128	1.7
81.03434	27.6
81.07079	1.9
83.04990	2.3
83.08641	2.5
84.04513	4.0
84.08149	3.5
85.02911	60.6
86.09711	30.4
91.05463	2.1
96.91912	1.9
97.02895	7.5
97.06541	7.4
98.94754	1.7
99.04455	31.2
103.03946	69.4
107.08618	2.7
108.04520	2.3
109.02885	27.8
112.04029	2.6
114.05504	1.9
119.04893	2.0
120.08073	1.8
124.07642	1.9
127.03922	100.0
132.10172	9.9
136.03964	2.8
145.04991	10.7
147.04469	15.1
151.07562	2.6
152.07980	2.4
154.04988	22.6
155.10689	4.5
156.11046	7.3
171.05534	7.7
172.06071	14.7
187.06013	9.0
190.07135	4.5
217.99054	2.0
218.06624	10.9
237.02921	2.4
247.11897	2.4
249.17152	2.1
253.06874	2.5
254.04073	2.0
271.08188	3.4
287.10120	3.0
288.47641	2.1
300.08585	2.6
331.09146	8.0
349.14352	10.0
349.22150	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	349.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84302	0.5
54.26337	0.4
58.17601	0.5
68.90166	0.5
69.03424	3.6
69.15739	0.6
71.04993	2.4
72.03096	0.4
76.46490	0.5
81.03429	5.4
85.02921	0.6
87.88414	0.5
92.81805	0.5
95.08613	0.8
99.04453	2.9
117.05541	0.7
138.05585	0.7
147.09201	5.6
159.09161	8.0
175.08693	0.9
185.10704	2.2
186.11400	0.6
187.08624	3.0
187.12308	5.0
190.09755	21.4
191.06407	0.9
191.08142	24.8
197.10675	1.0
199.12411	1.4
202.09741	0.8
213.10213	6.5
215.11647	0.9
225.10297	0.8
226.44794	0.6
227.11794	2.2
231.11299	2.6
243.11311	2.3
245.12839	2.2
246.07639	1.1
253.09688	0.7
263.13870	1.4
271.10757	8.0
287.10245	1.1
289.11813	75.9
290.10135	3.1
305.44269	0.7
306.14471	100.0
322.30692	0.6
332.12445	10.5
334.30560	0.7
349.10229	1.2
349.14859	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	349.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38745	2.3
65.90339	2.6
67.05508	4.9
68.37753	2.4
69.02776	2.4
69.07077	5.3
81.03436	3.3
81.07045	12.3
82.72371	2.6
83.08592	3.1
93.07034	11.6
95.04961	3.2
95.08620	5.3
105.07056	6.6
107.08589	7.1
109.17323	2.7
119.08607	4.4
121.10107	3.7
130.15984	5.4
133.10022	3.2
145.10121	5.9
145.38475	2.7
179.14265	3.1
196.59372	3.3
349.13297	6.3
349.17523	100.0
349.24371	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	349.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52753	0.8
55.01872	1.3
55.05515	1.4
56.05045	73.8
57.07058	0.8
58.06586	1.1
60.04517	1.9
60.10292	0.7
64.76454	0.7
67.05504	5.2
68.05038	7.7
69.07056	1.0
70.06594	4.3
71.04993	1.1
72.04522	18.3
73.02930	0.9
74.06074	5.7
76.05142	1.9
76.37188	0.7
79.05515	0.9
81.07062	1.5
83.08650	1.1
85.10148	0.9
85.11798	0.9
88.03976	1.0
89.43182	0.9
93.07018	1.5
94.06529	0.9
95.08605	5.8
96.04482	1.4
97.10160	1.1
98.06053	15.5
98.09688	1.2
101.44286	0.9
102.05550	5.8
108.85535	1.0
109.10159	2.1
110.06044	4.0
111.08070	1.4
113.09655	2.0
114.05539	3.8
117.06628	3.3
118.04995	11.8
120.06595	2.2
121.08408	1.1
125.09643	4.3
126.05553	1.1
128.07082	14.8
130.05006	2.1
131.08168	1.7
135.07626	6.6
136.72339	0.8
137.09621	3.5
139.99379	0.9
144.06552	6.6
147.07663	5.9
154.12270	1.8
155.10701	1.7
155.11800	1.9
155.59450	1.1
156.11372	1.6
160.07280	1.1
177.08685	48.6
182.15405	1.4
189.08772	1.3
192.13861	4.6
210.14845	12.7
219.09789	3.4
228.15942	33.2
238.14368	5.8
247.11266	1.2
249.10796	1.3
253.15402	1.3
256.15384	1.2
277.12134	1.0
307.15564	1.0
313.17535	4.8
317.12695	1.2
317.18149	14.1
349.19693	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52753	0.8
55.01872	1.3
55.05515	1.4
56.05045	73.8
57.07058	0.8
58.06586	1.1
60.04517	1.9
60.10292	0.7
64.76454	0.7
67.05504	5.2
68.05038	7.7
69.07056	1.0
70.06594	4.3
71.04993	1.1
72.04522	18.3
73.02930	0.9
74.06074	5.7
76.05142	1.9
76.37188	0.7
79.05515	0.9
81.07062	1.5
83.08650	1.1
85.10148	0.9
85.11798	0.9
88.03976	1.0
89.43182	0.9
93.07018	1.5
94.06529	0.9
95.08605	5.8
96.04482	1.4
97.10160	1.1
98.06053	15.5
98.09688	1.2
101.44286	0.9
102.05550	5.8
108.85535	1.0
109.10159	2.1
110.06044	4.0
111.08070	1.4
113.09655	2.0
114.05539	3.8
117.06628	3.3
118.04995	11.8
120.06595	2.2
121.08408	1.1
125.09643	4.3
126.05553	1.1
128.07082	14.8
130.05006	2.1
131.08168	1.7
135.07626	6.6
136.72339	0.8
137.09621	3.5
139.99379	0.9
144.06552	6.6
147.07663	5.9
154.12270	1.8
155.10701	1.7
155.11800	1.9
155.59450	1.1
156.11372	1.6
160.07280	1.1
177.08685	48.6
182.15405	1.4
189.08772	1.3
192.13861	4.6
210.14845	12.7
219.09789	3.4
228.15942	33.2
238.14368	5.8
247.11266	1.2
249.10796	1.3
253.15402	1.3
256.15384	1.2
277.12134	1.0
307.15564	1.0
313.17535	4.8
317.12695	1.2
317.18149	14.1
349.19693	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50212	1.0
58.70339	1.0
63.40406	1.0
80.80235	1.0
94.77281	1.1
99.06104	1.2
99.44781	1.1
102.21405	1.3
114.12701	1.2
130.55423	1.1
139.16548	1.2
144.04219	1.1
232.59743	1.2
238.49326	1.2
255.40201	1.0
290.50421	1.2
349.19833	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78427	0.8
66.72119	0.7
75.92269	0.8
79.31519	0.8
96.43970	0.8
107.56522	0.9
112.89636	0.8
138.86809	0.9
147.01550	0.9
240.73903	0.9
242.91920	0.8
256.37970	1.2
300.74445	1.0
349.19843	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78242	0.5
55.05528	0.8
57.03444	1.6
67.05504	3.4
69.07063	1.5
79.05508	2.6
81.07059	3.9
82.30941	0.8
83.04895	0.7
91.05463	4.8
91.64731	0.6
93.07056	2.6
95.08611	2.6
105.07053	2.8
107.08601	2.7
109.06512	0.9
114.91630	0.7
119.08578	3.6
131.08574	3.8
133.10103	1.4
135.08124	0.6
135.11717	1.1
144.21294	0.7
145.10126	4.1
149.09622	1.0
153.05000	0.6
157.87645	0.6
159.11749	1.3
171.54803	0.7
173.13368	1.1
251.12531	5.2
257.18961	1.6
275.20071	3.3
300.41476	0.7
312.47766	0.8
349.19864	100.0
349.23792	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	349.2347
Annotation	5-trans U-44069
Peak:m/z	Relative Intensity
51.18427	0.8
58.72147	0.6
71.73044	0.7
74.51344	0.7
85.10448	0.8
117.98605	0.9
167.37924	0.8
167.68335	0.9
221.14522	0.8
269.44968	0.7
282.02188	0.8
283.37354	0.9
298.41992	0.8
346.57068	1.0
349.23483	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2346
Annotation	5-trans U-44069
Peak:m/z	Relative Intensity
57.99516	0.7
58.33213	0.7
59.23298	0.7
66.88997	0.8
79.02929	0.8
104.35201	0.8
128.66571	1.1
129.70256	0.8
137.93510	0.8
139.35016	0.8
194.56548	1.2
201.70374	0.9
308.29492	1.3
314.49942	1.0
349.23480	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	349.2348
Annotation	5-trans U-44069
Peak:m/z	Relative Intensity
59.38260	0.5
60.04526	0.6
67.58494	0.5
91.84800	0.7
111.52884	0.6
120.86265	0.9
121.10169	0.9
141.68161	0.7
151.65817	0.9
179.14275	2.8
349.23489	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2372
Annotation	17alpha,21-Dihydroxypregnenolone
Peak:m/z	Relative Intensity
50.27836	1.0
51.11000	1.0
55.01867	2.3
55.05517	8.3
57.03452	8.8
60.04530	2.1
67.05509	13.6
69.03440	1.3
69.07077	12.5
72.10945	1.1
75.45300	1.1
75.48444	1.2
79.05498	18.8
81.03400	1.5
81.07063	43.3
83.05000	2.4
83.08624	5.5
91.05484	15.0
93.07045	18.6
95.04955	4.6
95.08617	17.4
97.06518	5.1
105.07042	24.6
106.96874	1.2
107.05007	2.9
107.08601	23.1
109.06538	17.6
109.10176	10.5
111.08041	1.9
117.07012	8.3
119.08568	23.3
121.06523	1.4
121.10168	9.0
123.08080	2.9
123.11688	4.4
131.08577	14.0
131.60780	1.3
133.10133	19.2
135.08037	1.9
135.11742	5.0
136.06241	1.8
137.09592	1.4
143.08582	1.5
145.10114	19.4
147.11673	16.0
149.09633	7.8
149.13275	2.2
151.11153	2.0
156.13843	2.9
157.10210	2.2
159.11719	13.4
161.13248	2.4
163.11215	2.6
163.14917	1.4
165.12796	1.4
169.10179	1.7
171.11682	2.2
173.09598	1.7
173.13249	3.0
175.11261	1.3
177.12778	1.6
183.11723	3.0
197.13289	1.5
213.16765	1.2
229.19562	1.7
239.17976	2.4
247.20604	2.1
257.19000	15.2
275.20044	30.7
349.20053	9.5
349.23770	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	349.2371
Annotation	17alpha,21-Dihydroxypregnenolone
Peak:m/z	Relative Intensity
55.05505	7.1
57.03444	11.3
64.44562	1.1
67.05529	10.1
69.07066	6.4
74.48280	1.1
79.05507	9.8
81.07061	16.7
83.04985	1.8
83.08610	5.6
83.89495	1.1
89.91002	1.1
91.05491	17.4
93.07053	18.1
95.08617	17.1
97.06483	1.1
97.34212	1.2
99.08114	1.2
105.07040	21.3
107.08597	13.8
109.06499	1.6
109.10145	5.5
117.07028	14.4
119.08578	24.0
121.10120	7.9
129.05475	1.6
129.06987	5.3
131.08580	17.8
133.10130	13.1
135.08083	2.0
135.11687	2.3
143.08545	5.9
145.10138	31.8
147.11713	18.2
149.09624	2.3
155.08531	1.5
157.10123	13.9
159.11682	31.8
161.09546	2.3
161.13216	7.2
169.10075	2.3
171.11707	9.6
173.13275	10.5
174.35754	1.4
183.11674	5.1
185.13245	6.8
187.14813	2.0
197.13242	3.1
213.16362	2.4
219.17386	5.9
229.19434	2.4
239.17978	10.0
257.18951	29.3
275.20029	9.5
308.02881	1.4
331.22839	2.1
349.19836	5.8
349.23712	100.0
349.28610	3.9
366.21716	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	349.2373
Annotation	17alpha,21-Dihydroxypregnenolone
Peak:m/z	Relative Intensity
55.01868	1.9
55.05522	19.1
57.03437	12.0
57.15045	1.9
57.70844	1.7
58.50784	1.6
67.05512	25.4
69.07063	10.5
79.05501	35.7
81.07063	25.6
83.04983	11.7
83.08619	4.5
89.68612	2.0
91.05476	22.0
93.07043	36.8
95.04973	4.9
95.08611	13.1
95.32833	1.8
97.10144	8.9
98.94006	1.9
105.07029	24.8
106.60879	1.8
107.04942	13.7
107.08597	36.2
109.10168	10.9
117.07010	11.2
119.08594	15.9
121.06532	2.7
121.10149	8.2
123.11588	2.0
125.09638	4.2
131.08594	16.0
133.10139	12.3
135.08012	2.8
135.11726	4.2
145.10118	12.2
147.11711	4.6
149.09624	24.9
159.11705	8.8
163.11119	2.4
173.13232	2.7
189.11249	3.0
257.18954	9.4
275.20065	37.5
349.23715	100.0
359.95081	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	349.2373
Annotation	17alpha,21-Dihydroxypregnenolone
Peak:m/z	Relative Intensity
55.01887	2.0
55.05519	8.0
55.83689	1.5
57.03444	47.5
67.05509	24.5
68.03337	2.0
68.03719	1.7
69.07067	10.7
70.96653	1.9
71.04978	2.3
79.05499	20.9
81.07061	23.2
82.14762	1.7
83.04984	2.1
83.08618	3.2
85.06539	15.5
86.21474	2.0
91.05479	33.1
93.07048	36.7
95.08617	25.5
97.06545	4.3
99.04472	3.5
105.07050	24.5
107.08614	16.0
109.06525	14.6
109.10157	9.4
111.08089	3.3
111.69070	2.2
117.07030	9.3
119.08584	29.3
121.10117	14.3
126.81161	2.1
131.08527	18.0
133.10164	17.0
133.11656	1.9
133.64403	2.0
135.08093	2.9
135.11655	7.9
137.09625	2.6
143.08572	2.9
145.10187	11.1
147.11754	7.9
157.10182	3.4
159.11670	9.9
173.13280	4.0
185.13412	3.2
201.16461	2.1
219.17430	97.3
219.19554	3.5
239.92061	2.2
257.19070	4.4
259.13974	2.1
275.20038	16.5
301.94556	2.0
349.23770	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	349.2372
Annotation	17alpha,21-Dihydroxypregnenolone
Peak:m/z	Relative Intensity
51.26638	2.0
54.14967	2.1
55.05515	4.3
56.52865	2.8
57.03234	2.6
57.03448	43.8
61.22247	2.2
63.33614	2.2
67.05508	23.1
69.07068	10.9
79.05494	19.3
81.07064	23.4
82.39026	2.2
83.08636	4.5
85.06528	9.8
91.05475	24.1
93.07042	28.1
95.04959	3.2
95.08605	21.7
97.06531	2.7
97.10164	2.9
105.07043	23.7
107.04882	2.4
107.08601	13.5
109.06499	12.2
109.10185	10.0
111.08049	3.2
117.07003	5.5
119.08569	23.3
121.10143	13.3
123.08060	2.8
131.08569	17.6
133.10130	23.4
135.07985	3.2
135.11647	4.9
145.10129	16.1
147.11707	14.5
159.11646	5.6
163.11273	3.2
219.17410	35.4
257.19012	5.1
275.20065	42.1
323.36469	3.0
349.19534	5.7
349.23633	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	349.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57023	2.5
55.05510	5.1
57.07087	4.5
67.05521	24.1
69.07074	14.5
71.68266	3.0
79.05497	13.9
81.07063	33.0
83.08587	4.7
91.05489	32.3
92.21059	3.2
92.21513	3.9
93.07037	46.3
95.04965	22.0
95.08620	39.4
97.06519	12.3
105.07029	59.0
107.08581	47.4
109.06524	3.4
109.10146	37.0
116.98071	3.2
117.07026	13.1
119.08587	66.3
121.10157	76.8
123.11691	7.0
128.06264	3.0
129.06989	5.1
130.07774	3.7
131.08539	34.3
133.10133	42.4
135.08075	11.7
135.11685	16.5
142.07762	4.9
143.08583	30.6
144.09393	4.1
145.10138	49.7
147.08020	4.7
147.11697	24.3
149.09616	7.3
155.08574	7.7
156.09303	12.0
157.10104	41.6
159.11655	26.9
161.09540	7.6
161.13199	11.1
169.10184	7.8
170.10913	3.5
171.11710	17.7
173.09676	3.3
173.13254	15.4
175.14806	7.3
179.14366	7.3
181.10120	4.7
183.11696	17.3
185.13258	13.6
187.14854	15.3
194.10965	3.9
195.11772	5.2
197.13261	15.9
199.14853	5.1
209.13281	21.5
211.14894	4.6
213.16428	5.7
223.14835	6.0
227.14255	16.6
237.16287	3.8
251.17828	3.3
253.19519	7.7
293.18903	4.0
293.62830	3.2
318.98120	3.5
349.25247	100.0
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	Unknow
Peak:m/z	Relative Intensity
51.36372	0.5
54.68344	0.6
55.05519	1.7
57.51051	0.6
58.66633	0.7
65.74741	0.7
66.30498	0.6
67.05508	1.2
69.07063	5.1
69.78001	0.6
71.04960	0.7
71.08604	0.7
72.40929	0.6
76.32389	0.8
79.05496	0.9
81.06640	1.0
81.07050	7.8
83.08624	3.2
86.66847	0.6
86.68167	0.6
93.07024	4.8
95.08623	6.6
97.06498	0.8
97.10155	0.9
99.08046	0.8
105.07056	1.5
107.08595	5.4
109.06530	5.4
109.10162	3.9
111.08077	1.0
119.08579	3.8
121.03409	0.9
121.10128	4.1
123.08071	51.9
123.11716	1.1
125.09558	1.0
133.10136	2.9
135.08038	1.7
135.11719	1.4
137.09639	2.9
137.13167	1.0
147.11714	1.4
149.13266	1.7
150.17126	0.7
159.11685	0.8
161.13159	1.2
179.14325	10.5
192.12561	0.8
233.18864	0.9
275.20050	1.5
289.25275	1.1
292.74707	0.7
293.21094	23.3
293.26105	0.8
307.22543	1.2
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	349.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08043	0.5
55.05513	0.6
57.07074	1.0
57.26739	0.5
67.05511	0.9
69.07075	1.2
71.08625	2.4
73.46204	0.6
74.98048	0.6
79.05478	0.8
81.07074	4.4
91.05492	0.9
93.07056	1.1
95.08617	3.5
96.71627	0.6
99.08064	0.7
105.07034	1.0
107.08581	1.2
109.06542	5.0
109.10159	1.2
119.08543	1.4
121.10139	1.3
123.08080	7.2
123.11575	0.6
133.10150	0.7
143.08569	0.8
145.10136	1.0
147.11771	0.9
151.07753	0.6
157.10088	0.7
179.14308	100.0
193.15916	2.7
201.20358	0.7
331.26175	0.7
349.27393	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	349.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	6.9
57.07082	5.0
67.05510	9.1
69.07070	13.1
71.08621	2.9
79.05486	2.6
81.07059	16.7
81.07496	1.0
83.08633	11.0
84.08173	0.6
85.06506	0.6
91.05479	1.6
93.07050	4.4
95.08604	17.6
97.06515	1.1
97.10172	8.9
100.07616	3.1
105.07020	0.9
107.08606	4.2
109.06544	0.7
109.10158	12.8
111.08080	1.5
111.11694	3.2
114.09167	3.8
119.08570	3.7
121.10149	6.1
123.08121	3.0
123.11714	4.6
128.10786	2.3
133.10155	4.0
135.11700	4.4
137.13329	1.3
145.93643	0.6
147.11736	2.8
149.13268	1.6
151.14856	1.3
161.13257	1.2
163.14787	0.9
165.16290	1.0
170.15416	0.8
175.14789	0.9
179.14310	1.2
273.25735	5.1
287.30481	0.9
291.26840	12.2
308.25909	1.5
308.29474	42.8
349.23694	7.2
349.29071	100.0
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	Unknow
Peak:m/z	Relative Intensity
53.68019	0.2
74.85161	0.3
83.04998	0.4
84.04481	0.2
85.02913	0.5
88.12549	0.2
90.44143	0.2
95.98189	0.2
120.08149	0.3
136.07574	0.4
138.05508	1.2
166.34917	0.2
182.10733	0.3
204.08649	0.4
246.09157	0.3
262.08679	0.3
274.08575	0.3
280.52786	0.2
292.09531	1.6
304.06326	0.3
304.09729	7.2
318.07642	0.6
320.09213	2.3
322.10703	2.8
328.23074	0.3
330.07840	0.2
332.09216	1.4
335.07950	0.3
350.10220	100.0
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	Unknow
Peak:m/z	Relative Intensity
58.36537	0.1
73.38614	0.1
87.64855	0.2
92.20989	0.2
145.77046	0.2
174.73325	0.2
236.65216	0.2
274.08704	0.4
274.63712	0.2
276.10110	0.4
289.07236	0.3
292.09625	1.3
299.15417	0.2
302.08157	0.4
303.08948	0.2
304.06320	0.3
304.09705	7.1
306.07556	0.2
307.08090	0.2
318.07654	0.4
320.09161	2.8
321.09885	0.8
322.10678	2.2
332.09125	1.6
340.23242	0.2
350.10220	100.0
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	Unknow
Peak:m/z	Relative Intensity
51.25318	0.2
59.86095	0.2
61.50203	0.2
83.04984	0.4
84.44032	0.3
85.02905	0.3
111.87782	0.3
138.05505	0.6
148.43900	0.3
180.53587	0.2
181.91438	0.3
182.13876	0.2
204.08728	0.4
241.65451	0.3
264.50699	0.3
274.08551	0.3
276.10129	0.4
292.09674	1.2
302.08124	0.3
304.09686	7.2
304.53455	0.2
320.09122	2.2
321.09918	0.4
322.10699	3.0
332.09073	1.4
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	350.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44493	0.2
68.67649	0.2
92.47089	0.3
104.57533	0.3
168.66130	0.2
212.24045	0.2
274.08688	0.5
276.10068	0.4
289.07111	0.3
292.09641	1.9
302.08188	0.3
304.09750	6.5
320.09210	1.7
322.10818	2.6
332.09058	1.2
350.10233	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	350.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22101	0.4
57.03416	2.4
60.53219	0.4
61.02916	1.0
66.54750	0.4
69.03430	7.8
71.01327	1.0
71.04998	3.3
73.02886	1.0
79.55545	0.4
81.03398	1.0
86.09704	19.0
97.02866	0.9
99.04423	2.3
107.08543	0.4
111.52798	0.4
120.08099	34.1
136.07535	0.9
145.02856	0.8
145.07561	1.8
146.69997	0.5
147.09163	22.1
157.13358	6.5
159.09149	8.0
160.09969	0.9
166.08603	2.1
177.05357	1.9
185.10750	2.1
185.12842	3.9
187.08563	0.9
187.12247	0.5
191.08145	100.0
191.11722	6.8
197.10745	1.0
199.08713	0.8
199.12238	0.9
203.11763	0.5
213.10216	2.4
215.11780	1.7
216.07681	6.1
219.11320	5.6
225.10184	0.9
233.16481	0.8
237.12508	0.7
243.11333	0.4
245.09050	0.7
261.15994	1.6
263.13919	7.6
271.10721	0.8
279.16962	0.7
289.11798	4.7
307.12863	26.4
350.10263	4.0
350.13504	70.9
350.20547	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	350.1348
Annotation	Mitomycin A
Peak:m/z	Relative Intensity
56.05050	71.4
60.04525	7.4
66.44827	1.1
70.06599	27.6
72.04524	23.8
74.02435	2.3
74.06081	8.7
76.05122	3.0
84.04521	1.4
84.08148	1.8
85.81918	1.3
86.02448	1.9
86.09715	27.6
87.05589	8.6
88.03989	5.2
89.04770	5.1
102.05555	20.8
104.05309	1.3
106.26125	1.5
115.05050	6.6
116.07103	21.4
116.08197	1.5
118.05045	8.3
118.06546	50.8
120.06554	5.9
120.08089	11.5
126.05549	1.8
129.10240	2.2
130.06561	3.0
132.07050	2.3
132.08101	15.7
134.06038	1.6
136.07683	1.5
143.06049	7.3
144.08107	5.0
146.40913	1.3
150.05835	5.7
154.06583	5.3
157.09756	2.5
158.08438	5.5
159.09177	3.3
160.07584	29.1
160.37839	1.3
161.05557	6.3
161.07532	2.3
162.09128	1.7
169.07648	9.4
172.06091	5.4
172.07547	50.3
173.12860	20.3
177.09819	2.5
185.05550	13.4
187.07126	1.8
187.08667	5.8
189.08745	6.3
201.12341	10.6
203.06635	8.0
207.11349	13.6
210.03358	1.4
215.06769	2.4
233.07652	13.7
235.10840	2.7
262.46210	1.4
263.14032	5.4
304.12982	6.5
332.15866	1.4
332.20007	2.5
350.13495	100.0
350.17068	7.6
350.20740	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	350.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.4
57.68478	0.2
61.79450	0.3
63.26574	0.2
67.05495	0.6
69.07076	0.4
70.12778	0.3
71.04980	2.3
71.23312	0.3
79.05489	0.4
81.07072	0.7
83.04999	1.3
85.02908	2.3
87.08384	0.3
93.07079	0.6
95.08625	0.5
97.77898	0.3
102.56598	0.3
105.07032	0.3
107.08605	0.3
109.10186	0.5
119.08540	0.4
126.05479	2.2
129.05515	0.6
138.05518	6.0
144.06566	0.5
145.10127	0.4
149.02304	0.4
159.04440	0.6
160.04007	0.5
160.11952	0.4
166.90547	0.4
168.06609	1.3
186.07642	0.6
190.05061	1.4
204.08694	1.8
249.05544	0.5
258.28802	0.4
264.06610	0.6
275.03372	0.8
276.06473	0.4
276.20285	0.4
277.04910	0.6
290.21152	0.4
292.06131	2.1
292.09763	2.0
294.07736	0.6
305.10562	0.6
306.11221	19.6
307.53787	0.4
316.09702	3.0
317.10474	5.6
318.11292	5.0
320.05539	2.6
320.09055	15.5
320.12714	0.6
321.06540	0.4
322.07080	5.3
333.06500	0.6
334.10709	25.0
335.11484	30.4
350.06711	64.9
350.13794	100.0
350.23062	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	350.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52127	0.4
69.07061	0.5
71.04994	0.9
80.54794	0.4
83.04973	1.7
85.02899	2.2
91.13013	0.4
105.07008	0.6
126.05491	1.8
131.31560	0.4
138.05508	5.7
144.06573	0.7
168.06548	1.5
186.07626	0.8
191.85104	0.5
204.08667	2.0
246.83067	0.5
250.84180	0.4
258.24319	1.8
292.09738	2.8
302.26987	0.7
306.11224	17.8
316.09653	11.7
317.10464	24.8
318.11203	5.4
320.09167	42.5
334.10751	19.4
335.11496	31.6
350.13864	100.0
350.23132	18.8
350.28909	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	350.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03973	0.4
52.77938	0.4
61.95543	0.4
69.07082	0.6
74.53838	0.4
81.07057	0.6
83.08629	0.5
92.21188	2.0
93.07041	0.8
95.08601	1.9
105.07055	0.7
109.06498	0.4
111.39725	0.4
118.08759	0.4
131.66759	0.4
133.10109	0.5
135.11719	0.5
146.10466	0.5
157.10164	1.9
159.11668	0.5
171.11711	0.5
177.05478	0.6
196.11966	0.4
198.13654	0.5
292.09720	2.9
306.11252	18.0
316.09689	8.1
317.10492	16.4
317.13974	0.9
318.11243	6.4
320.05414	1.1
320.09155	31.9
321.10175	0.5
332.22418	0.6
334.10754	20.0
335.11511	26.4
335.15579	1.0
350.13882	100.0
350.22702	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	350.1378
Annotation	2-(Biaryl)carbapenems
Peak:m/z	Relative Intensity
57.03460	0.4
57.68478	0.2
61.79450	0.3
63.26574	0.2
67.05495	0.6
69.07076	0.4
70.12778	0.3
71.04980	2.3
71.23312	0.3
79.05489	0.4
81.07072	0.7
83.04999	1.3
85.02908	2.3
87.08384	0.3
93.07079	0.6
95.08625	0.5
97.77898	0.3
102.56598	0.3
105.07032	0.3
107.08605	0.3
109.10186	0.5
119.08540	0.4
126.05479	2.2
129.05515	0.6
138.05518	6.0
144.06566	0.5
145.10127	0.4
149.02304	0.4
159.04440	0.6
160.04007	0.5
160.11952	0.4
166.90547	0.4
168.06609	1.3
186.07642	0.6
190.05061	1.4
204.08694	1.8
249.05544	0.5
258.28802	0.4
264.06610	0.6
275.03372	0.8
276.06473	0.4
276.20285	0.4
277.04910	0.6
290.21152	0.4
292.06131	2.1
292.09763	2.0
294.07736	0.6
305.10562	0.6
306.11221	19.6
307.53787	0.4
316.09702	3.0
317.10474	5.6
318.11292	5.0
320.05539	2.6
320.09055	15.5
320.12714	0.6
321.06540	0.4
322.07080	5.3
333.06500	0.6
334.10709	25.0
335.11484	30.4
350.06711	64.9
350.13794	100.0
350.23062	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	350.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03973	0.4
52.77938	0.4
61.95543	0.4
69.07082	0.6
74.53838	0.4
81.07057	0.6
83.08629	0.5
92.21188	2.0
93.07041	0.8
95.08601	1.9
105.07055	0.7
109.06498	0.4
111.39725	0.4
118.08759	0.4
131.66759	0.4
133.10109	0.5
135.11719	0.5
146.10466	0.5
157.10164	1.9
159.11668	0.5
171.11711	0.5
177.05478	0.6
196.11966	0.4
198.13654	0.5
292.09720	2.9
306.11252	18.0
316.09689	8.1
317.10492	16.4
317.13974	0.9
318.11243	6.4
320.05414	1.1
320.09155	31.9
321.10175	0.5
332.22418	0.6
334.10754	20.0
335.11511	26.4
335.15579	1.0
350.13882	100.0
350.22702	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	350.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04567	0.4
53.35566	0.4
53.89571	0.4
56.76199	0.4
57.03433	0.5
57.41319	0.5
83.04988	0.6
86.09708	100.0
86.68875	0.7
96.04551	0.5
97.02853	0.5
111.04460	0.7
114.05563	0.7
120.08102	60.3
123.67749	0.5
124.31603	0.5
135.47963	0.5
145.02835	0.6
147.09180	1.2
157.13353	43.6
159.09290	0.5
166.08620	12.6
177.05482	4.0
185.12837	31.2
191.08174	8.7
191.09906	0.6
191.10211	0.7
191.11807	9.9
219.11319	7.5
221.00519	0.6
233.16347	1.1
261.16162	0.9
263.13971	0.9
279.17035	3.4
307.12845	2.1
332.19769	0.7
350.09677	7.3
350.14182	3.7
350.20743	2.8
350.24506	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	350.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96330	0.7
68.36697	0.7
81.07066	0.9
83.04982	1.7
85.02903	0.9
86.09711	100.0
93.07063	0.8
99.43847	0.6
100.35483	0.7
111.04462	0.7
114.09200	1.1
120.08113	64.9
126.05507	1.3
136.06169	4.0
138.05533	3.0
142.47340	0.6
157.13362	45.7
166.08635	11.2
167.64207	0.8
185.12852	30.2
191.11801	9.6
193.26593	0.7
219.11320	9.9
243.38077	0.8
279.17108	1.8
307.09030	0.9
322.10864	0.9
345.17709	0.8
350.06442	4.3
350.10294	17.0
350.20630	3.2
350.24075	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	350.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62503	0.5
50.91390	0.6
57.27730	0.6
57.55799	0.7
58.03793	0.5
62.41180	0.5
68.39526	0.5
75.93893	0.6
86.77855	0.8
113.13480	0.7
129.52187	0.6
156.10603	0.7
232.35745	0.6
350.26663	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
63.71284	0.5
69.07044	0.7
72.91396	0.5
73.33839	0.5
81.07028	0.8
89.95373	0.5
112.16296	0.9
120.83916	0.5
126.12851	0.6
128.19167	0.6
133.10394	0.7
198.62643	0.6
333.27786	0.8
350.26675	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53322	0.6
55.05519	1.0
56.05037	1.6
57.07076	1.3
58.06601	6.5
64.28437	0.7
67.05513	1.8
69.07070	1.5
71.92094	0.9
72.08158	1.1
73.02916	0.9
79.05496	0.9
81.07065	1.7
83.08611	3.4
86.06048	1.4
87.04463	1.4
95.08617	1.0
100.07639	1.5
105.07056	1.1
107.08611	1.0
118.08649	3.7
119.08598	0.8
130.08633	1.3
131.08658	0.8
132.10202	22.9
133.10065	1.0
148.09663	3.7
206.13922	1.7
210.13312	1.2
241.84511	0.9
258.24258	75.3
264.19446	1.1
320.05518	1.1
322.07114	3.1
332.27951	1.7
350.06583	32.5
350.09674	1.3
350.19354	18.7
350.23453	19.9
350.28992	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	350.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53322	0.6
55.05519	1.0
56.05037	1.6
57.07076	1.3
58.06601	6.5
64.28437	0.7
67.05513	1.8
69.07070	1.5
71.92094	0.9
72.08158	1.1
73.02916	0.9
79.05496	0.9
81.07065	1.7
83.08611	3.4
86.06048	1.4
87.04463	1.4
95.08617	1.0
100.07639	1.5
105.07056	1.1
107.08611	1.0
118.08649	3.7
119.08598	0.8
130.08633	1.3
131.08658	0.8
132.10202	22.9
133.10065	1.0
148.09663	3.7
206.13922	1.7
210.13312	1.2
241.84511	0.9
258.24258	75.3
264.19446	1.1
320.05518	1.1
322.07114	3.1
332.27951	1.7
350.06583	32.5
350.09674	1.3
350.19354	18.7
350.23453	19.9
350.28992	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	351.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77007	1.3
58.70451	1.4
84.08144	6.5
86.09669	2.2
120.08096	2.4
129.10239	3.4
140.39998	1.6
146.10051	1.5
147.17694	1.6
219.01823	6.2
237.02812	7.5
267.04181	1.9
309.08585	10.1
351.05051	100.0
351.09326	6.8
351.20334	3.2
363.88757	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	351.0686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49883	0.9
58.75431	0.8
59.00940	0.9
59.71408	0.8
64.48145	0.9
81.98264	0.9
81.98734	1.0
82.67699	1.0
90.06602	0.9
90.48891	1.1
234.03651	0.9
259.25845	0.9
351.06860	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0687
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45435	1.0
78.70975	0.9
90.40112	0.8
101.94790	1.0
108.47268	0.9
124.04758	0.9
208.97145	1.6
211.53990	0.9
217.64481	0.9
234.71037	1.0
246.92545	1.0
261.26031	1.0
300.24237	0.9
351.06879	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0686
Annotation	Unknow
Peak:m/z	Relative Intensity
78.90475	0.9
80.26768	1.0
81.26374	0.9
85.16850	0.9
90.04599	0.9
130.79924	1.0
142.46272	1.2
173.03011	1.3
188.34276	1.2
230.20631	1.0
235.06737	1.7
250.91840	1.2
253.07603	4.0
279.09317	1.7
282.65482	1.1
328.32761	1.4
351.06888	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10446	0.6
56.05019	0.7
56.24331	0.6
68.05061	0.8
69.03429	1.1
70.06588	1.2
72.08150	1.5
78.92239	0.8
84.08138	1.2
85.02892	1.1
85.33944	0.8
86.03591	0.9
86.06042	1.1
96.04483	2.9
97.02910	0.9
97.04026	0.8
98.97606	6.1
109.02863	1.0
110.97549	0.9
115.10898	0.7
116.98619	3.2
127.03908	1.1
128.07086	0.9
129.10217	1.4
134.25990	0.8
139.05008	4.8
139.05984	0.8
144.59479	0.7
157.06068	1.3
158.99663	6.8
169.15694	0.7
177.00725	4.8
189.04222	2.9
189.08652	1.2
219.01672	6.7
237.02881	6.7
286.26199	0.9
291.07498	1.5
309.08499	8.4
311.83087	0.8
333.10510	0.9
351.07019	6.7
351.10455	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1461
Annotation	Fagaronine
Peak:m/z	Relative Intensity
52.87222	1.9
54.40111	1.8
57.19520	1.9
59.10354	1.8
64.95090	1.8
79.05510	2.5
95.08604	3.3
116.98521	5.2
128.98425	3.9
131.00032	24.6
140.98453	20.1
143.00044	13.7
151.00359	2.5
153.99216	4.9
155.00031	14.5
157.01563	13.1
159.67145	2.2
165.02090	3.2
167.00032	13.0
169.01596	18.4
169.02847	3.1
169.42300	2.8
170.99484	5.0
174.99001	36.8
177.02104	11.8
179.03664	5.1
181.01599	12.0
182.99541	3.0
183.03201	5.5
185.01097	24.0
186.98999	2.8
189.00548	41.3
191.03702	4.6
193.01604	2.6
195.03096	4.4
197.01125	3.9
197.04697	2.8
199.02649	11.2
201.00574	12.1
203.02133	15.1
203.03801	3.9
205.05167	3.9
206.99623	2.8
207.03221	2.9
209.01115	8.7
211.02734	9.2
213.04170	2.7
215.02049	5.5
221.04825	3.2
223.02628	4.3
233.08220	2.5
263.05731	3.0
277.07404	4.4
297.25922	3.0
333.13565	100.0
333.17490	4.3
351.14618	32.2
351.26929	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	351.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44978	0.6
70.74619	0.7
103.64283	0.7
108.57713	0.8
119.06976	0.8
121.08466	1.0
122.06039	5.2
125.61863	0.8
136.07571	3.2
145.02878	1.3
151.06294	4.0
152.07071	38.3
156.39941	0.7
162.05478	3.5
166.08627	100.0
167.04268	0.8
168.10222	0.9
177.05432	3.6
180.06583	1.0
188.07100	1.3
194.08130	99.6
195.06555	1.0
210.09113	1.2
212.09160	68.8
214.08514	1.0
227.11816	7.6
228.10201	4.1
229.09601	1.2
241.09792	10.1
255.11269	41.4
256.09711	29.3
263.94519	0.8
273.12424	1.1
283.10788	5.3
301.11847	11.7
302.10254	22.6
316.11801	1.6
333.14374	5.2
351.11658	1.9
351.15518	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	351.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28203	0.5
52.23308	0.5
53.17379	0.5
56.05046	0.5
62.20361	0.5
70.02953	0.7
70.06585	3.4
72.08144	2.2
80.06829	0.6
83.06087	3.1
84.04501	2.9
84.08143	3.0
86.09697	4.4
87.05594	7.4
88.03990	1.2
90.05576	0.9
91.05470	2.5
98.02435	0.7
101.07135	7.4
102.05539	0.8
103.05508	1.3
109.02871	1.3
110.07169	0.8
110.77061	0.6
115.05034	4.7
120.08100	100.0
129.05652	1.1
129.06599	20.1
129.10246	1.5
130.06503	6.7
132.95845	4.4
140.08185	1.0
141.06584	3.6
149.06032	1.5
150.96907	1.0
158.05942	0.9
158.97380	1.1
160.86954	0.7
166.08623	56.2
168.07693	0.7
169.06050	0.9
172.07558	3.3
174.96886	4.7
175.08638	7.0
177.05437	3.0
177.10202	14.6
182.08014	0.6
185.12823	0.6
186.08713	8.4
186.96886	1.0
189.10255	1.1
197.92245	0.6
198.96855	1.3
200.07004	2.4
205.09674	1.0
217.09679	3.2
223.10754	37.8
229.09763	2.6
234.12398	12.5
234.98972	2.6
237.12282	2.1
262.11813	9.2
280.12888	6.2
285.58038	0.7
290.11224	1.2
305.16037	2.9
317.11243	2.3
333.15552	6.7
334.14059	3.4
351.07315	1.5
351.12714	1.5
351.16675	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	351.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	4.1
55.05526	4.4
59.54728	2.5
59.69714	2.2
60.51799	2.7
64.43969	2.2
67.05534	5.5
69.03429	25.0
69.07069	13.3
69.71036	2.3
79.05504	4.4
81.03419	3.5
81.07043	4.0
82.73257	2.9
82.77655	2.7
85.02908	12.2
89.68079	2.5
91.05498	16.6
95.04977	11.1
97.02903	6.1
97.06531	4.2
105.07050	16.5
107.08604	48.9
109.02932	4.1
109.06545	2.9
116.07053	5.1
119.04885	3.0
119.08573	16.7
120.08172	3.2
121.10136	16.3
122.06031	16.2
123.08054	3.1
127.03954	3.7
131.08572	5.0
133.10141	6.1
135.08064	3.3
136.07623	3.5
137.05972	4.7
140.07066	68.4
146.93126	2.5
147.08038	13.8
147.11679	6.0
149.09624	3.6
151.07518	3.2
152.07050	20.7
156.09343	10.3
159.11752	3.2
161.13246	18.8
162.05479	11.0
163.11128	4.7
166.08641	3.0
171.11812	3.2
173.13268	3.9
174.10417	6.2
180.06583	12.2
187.11081	3.8
189.12756	93.5
190.05031	3.8
202.99548	2.7
203.08202	10.6
207.07643	18.5
207.13805	17.2
208.06062	21.9
213.06537	3.2
215.08063	10.9
216.06674	4.1
220.42320	2.6
228.06633	3.9
228.08774	5.2
245.09225	18.2
246.11244	42.9
247.49965	3.2
256.08389	3.7
259.10583	3.8
273.08594	5.5
274.10764	32.7
287.10181	6.5
291.13397	100.0
301.11609	3.5
302.10120	3.1
305.11362	4.1
319.12903	18.8
333.10800	17.3
351.11499	19.8
351.15488	85.9
351.18610	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	351.184
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57127	0.7
52.82774	0.9
55.01877	2.1
55.05522	10.3
56.78094	0.8
56.96572	1.0
57.03429	6.6
57.07064	1.7
61.84319	0.8
67.05511	27.3
69.07070	15.4
71.04993	0.9
71.08633	11.7
78.35297	1.0
79.05492	14.7
81.06615	1.6
81.07062	32.1
83.04981	2.0
83.08601	7.4
85.06507	1.5
86.43723	1.0
91.05495	11.1
93.07047	25.7
95.04963	1.5
95.08074	1.5
95.08611	25.7
97.06524	2.0
97.10158	2.4
99.08081	6.9
105.07038	18.5
107.04940	1.0
107.08604	18.9
109.06509	1.5
109.10154	10.3
111.08086	2.1
117.07027	2.0
119.08567	17.9
121.07378	1.1
121.10139	11.4
123.08060	1.0
123.11681	5.1
125.09640	2.5
129.07030	2.0
131.08557	3.8
133.10124	11.7
135.11691	8.1
137.09680	2.2
140.44862	1.1
143.08537	2.0
145.10138	6.0
147.11702	14.3
149.13243	5.2
151.11157	4.3
157.10069	2.2
159.11707	1.6
161.13231	14.0
163.11142	1.7
165.12698	1.9
171.11681	2.0
173.13254	1.2
175.14795	6.4
179.14282	1.5
185.13246	4.2
189.16373	1.4
199.06422	4.0
199.14868	1.3
217.07352	4.0
223.06407	1.3
225.04112	1.1
226.08873	1.1
231.21060	1.9
234.17021	2.2
241.07494	17.5
241.19493	4.1
244.41591	1.0
249.22134	1.8
259.08524	28.3
259.20609	13.2
277.09579	5.2
277.21613	15.9
315.16348	1.5
333.17374	13.7
351.18488	66.7
351.25253	100.0
369.19345	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	351.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
83.89917	0.9
84.36470	0.8
143.94443	0.9
160.08029	0.9
225.05711	0.8
307.69360	1.0
333.20221	2.0
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	351.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09664	0.6
57.03452	0.6
60.05613	0.7
67.05491	1.3
71.08649	0.9
76.86600	0.5
81.07053	1.3
91.45927	0.6
92.20837	0.7
93.07037	0.8
95.08614	1.1
101.63081	0.7
105.06998	0.7
109.10174	0.7
111.08114	0.9
112.13117	0.6
120.47047	0.7
277.21649	1.5
307.11554	3.1
321.09555	5.1
335.11127	5.7
336.11804	4.2
351.14856	13.8
351.21399	100.0
351.25082	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	351.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19494	1.0
56.38398	1.1
61.52666	1.0
62.05460	1.0
67.05505	2.4
81.07071	2.6
87.22995	1.2
93.07021	1.6
109.10209	2.3
119.08530	1.5
126.37318	1.2
137.81358	1.1
161.13155	1.5
255.92172	1.2
351.21393	100.0
351.30417	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	351.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.6
57.03752	0.4
61.17590	0.5
67.05502	0.7
69.07052	0.9
81.07042	2.4
88.06857	0.5
93.07029	2.5
95.08593	1.4
107.08585	0.8
109.10155	1.2
111.04179	1.0
111.08089	0.6
119.08559	1.0
123.11672	0.8
135.11662	0.8
147.11652	6.2
159.11641	0.9
161.13226	1.0
175.82848	0.6
212.96671	0.6
223.14876	0.6
245.14984	0.9
250.61256	0.5
258.57373	0.5
277.21710	0.7
304.30988	0.6
321.97687	0.6
333.20303	1.0
336.11841	0.6
351.21365	100.0
351.25653	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	351.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48608	1.0
55.05514	2.1
55.40203	0.8
57.03439	1.9
57.07074	0.9
58.38198	0.7
60.87104	0.9
63.87772	0.7
67.05514	11.7
69.07056	1.9
71.08636	12.3
73.46761	0.9
79.05486	5.7
81.07056	10.1
83.04948	0.9
83.08617	0.8
91.05500	1.0
93.07050	8.2
95.08593	4.0
95.56261	0.8
97.10172	1.1
99.08093	4.6
105.07037	5.3
107.08588	5.4
109.10149	4.9
119.08548	3.6
121.10145	4.0
133.10144	2.2
135.11673	4.2
143.08531	1.0
145.10118	1.0
147.11719	3.8
151.11192	4.1
157.10243	1.0
158.87692	0.8
161.13255	1.7
163.11168	1.0
169.79961	0.9
179.14294	1.6
231.21318	1.1
259.20499	1.7
277.21591	10.3
332.83078	0.9
340.71301	0.9
351.21371	100.0
351.25360	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	351.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70094	0.7
55.01870	0.6
55.05517	1.9
57.03445	1.9
57.07077	0.9
67.05504	4.2
69.07064	3.9
71.08627	1.6
76.67729	0.7
79.05498	3.8
79.07610	0.8
81.07065	14.3
83.04985	1.3
83.08624	1.1
90.58169	0.9
91.05480	1.9
93.07050	6.1
95.08602	8.6
105.07046	3.3
107.08600	5.3
109.06526	4.7
109.10147	4.1
111.04445	10.5
111.08080	1.3
119.08586	6.0
121.10149	6.5
123.08082	1.0
123.11722	1.8
125.05988	3.8
131.08583	1.8
133.10126	5.5
135.08102	0.9
135.11700	6.0
137.05981	100.0
143.08572	1.2
145.10115	3.0
147.08049	1.1
147.11674	8.2
149.09595	3.6
149.13254	1.9
151.07480	1.4
151.11217	1.0
155.34361	0.7
157.10136	4.8
159.11668	3.5
161.09657	6.2
161.13237	1.2
163.11162	3.1
163.14792	1.1
165.09026	1.2
167.10638	0.8
167.25754	0.8
169.10210	0.9
171.11682	2.8
175.11130	3.6
179.10704	0.9
183.11682	1.4
185.13321	1.7
195.11804	0.9
197.13330	1.1
203.17963	4.8
207.11697	1.8
213.16321	1.4
218.70108	0.7
221.13199	1.4
221.18990	1.0
223.14815	1.2
231.17508	3.4
232.35785	0.7
249.18452	1.6
259.20535	1.6
277.17996	29.3
291.21036	3.8
295.19040	6.0
317.59402	1.0
351.21790	29.5
351.25952	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	351.2164
Annotation	5S-Hydroperoxy-18R-HEPE
Peak:m/z	Relative Intensity
50.64960	0.4
55.01877	2.6
55.05517	3.4
56.17790	0.6
57.03441	3.4
57.07086	0.7
67.05515	8.7
69.03421	0.6
69.07075	4.0
71.08633	5.3
73.41030	0.6
75.01046	0.5
76.14627	0.6
79.05501	5.8
81.07071	15.4
83.04981	1.5
83.08611	3.1
90.05563	0.6
91.05483	3.8
92.21059	0.6
92.34654	0.6
93.07039	6.7
94.10565	0.7
95.04995	1.1
95.08612	8.9
96.05458	0.6
96.89082	0.6
98.59148	0.6
99.08100	1.1
102.10320	0.6
105.07050	3.5
107.08586	6.4
109.06497	3.8
109.10149	5.3
111.04451	15.1
117.07024	1.0
119.08570	5.2
121.10133	5.6
123.08109	0.9
123.11720	1.2
125.05986	3.7
129.07039	1.0
131.08611	0.7
132.16614	0.6
133.10132	6.4
135.08064	1.1
135.11685	3.8
137.05984	100.0
137.13235	0.8
143.08542	1.0
145.10161	1.2
147.08083	1.4
147.11702	7.1
149.09630	1.5
149.13274	3.6
151.07562	3.1
151.11201	2.8
157.10117	1.0
159.11652	1.0
161.09628	4.2
161.13280	3.4
163.11153	2.7
163.14784	0.9
165.12747	1.1
171.11758	1.0
175.11096	5.5
175.14799	0.9
179.10745	1.0
185.13255	1.1
203.17966	3.2
208.83995	0.7
213.16345	1.3
221.18958	1.3
231.17484	4.7
249.18498	4.5
259.20422	0.9
277.18011	33.6
277.21497	4.7
295.19043	4.1
330.20905	0.7
351.21570	31.3
351.25381	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	351.2527
Annotation	3alpha,17alpha,21-Trihydroxy-5beta-pregnan-20-one
Peak:m/z	Relative Intensity
53.07318	1.6
53.07623	1.7
53.84765	1.7
55.01879	19.5
55.05516	14.1
57.03437	9.2
57.07073	10.4
62.18839	1.7
63.63678	1.6
67.05513	28.3
69.07066	10.3
71.08630	23.7
79.05502	15.8
81.07061	33.5
83.04976	3.5
83.08618	13.0
85.10177	9.3
91.05470	11.9
93.07034	22.6
95.04974	3.9
95.08614	24.4
97.06537	2.8
97.10169	2.5
99.08131	15.2
105.07036	12.6
107.04997	2.4
107.08578	14.7
108.60326	2.2
109.06526	3.0
109.10159	11.9
111.08057	19.5
113.09621	4.7
115.18916	2.2
119.08585	9.4
121.10149	12.3
123.11652	2.7
131.08557	3.3
133.10143	12.0
135.11688	9.4
145.10130	4.2
147.11678	11.0
151.11166	10.6
153.12631	2.9
161.13252	10.7
163.11252	3.8
163.14880	3.0
165.12776	4.6
171.11685	2.2
175.14743	2.5
179.14359	3.6
196.26102	1.9
198.25003	2.0
241.19484	3.3
257.39993	2.2
259.20523	12.0
277.21619	40.4
303.80557	2.1
351.21338	100.0
351.25327	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	351.2528
Annotation	3alpha,17alpha,21-Trihydroxy-5beta-pregnan-20-one
Peak:m/z	Relative Intensity
53.00314	2.2
54.17316	1.5
55.01875	10.8
55.05513	11.3
57.03436	11.2
57.07082	4.6
62.36859	1.7
62.79168	1.7
66.11868	1.8
66.80351	1.9
67.05511	39.3
69.07058	13.5
71.08636	28.6
79.05495	13.9
81.03437	2.5
81.07060	34.6
81.39811	2.2
83.04992	3.4
83.08607	9.0
85.02929	1.9
85.10180	3.1
91.05453	15.2
93.07050	25.1
95.04965	4.2
95.08612	27.8
97.10158	5.1
99.08095	13.2
105.07028	12.0
107.08608	20.5
109.10168	15.5
111.08076	14.6
113.09631	2.9
119.08555	16.4
121.10159	4.9
131.08578	3.7
133.10089	10.7
135.11697	9.2
136.62186	2.0
143.08585	3.3
145.10139	5.2
147.11678	8.6
151.11176	16.8
161.13245	11.6
163.11134	4.1
165.12747	5.0
171.11708	4.2
179.14375	2.2
218.44315	2.3
241.19476	2.9
259.20685	7.7
277.18909	3.8
277.21640	44.7
295.73938	2.1
307.11578	2.4
318.10864	4.0
318.40619	2.7
321.09457	8.4
336.11719	8.3
351.14764	21.2
351.21411	100.0
351.25281	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	351.2527
Annotation	3alpha,17alpha,21-Trihydroxy-5beta-pregnan-20-one
Peak:m/z	Relative Intensity
50.63309	1.4
55.05534	2.0
55.27321	1.5
57.03430	1.3
60.42366	1.3
62.85874	1.2
65.43414	1.2
67.05501	16.6
69.07082	6.3
71.65148	1.4
79.05508	23.0
81.07063	27.5
83.08619	3.2
85.06550	2.3
90.46006	1.7
91.05481	20.7
93.07050	38.6
95.08616	14.3
105.07033	30.3
107.08604	25.3
109.10152	7.9
117.07037	7.4
119.08584	30.9
121.10148	21.2
129.06995	3.7
131.08569	12.4
133.10121	35.4
135.11716	20.3
143.08554	3.7
145.10133	12.0
147.11693	30.6
149.13268	14.6
157.10162	6.7
159.11713	11.9
161.13245	20.5
163.14767	1.7
170.55580	1.6
171.11678	8.8
173.13243	6.9
175.14819	9.2
185.13260	6.3
199.14648	2.2
231.17497	2.7
231.21135	3.3
241.19492	16.5
258.65286	1.5
259.20581	50.4
341.86761	1.5
347.75668	1.6
351.20959	3.3
351.25311	100.0
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	3alpha,17alpha,21-Trihydroxy-5beta-pregnan-20-one
Peak:m/z	Relative Intensity
53.50976	1.2
55.01876	1.5
55.05510	8.9
57.03444	16.5
63.18025	1.3
67.05235	1.5
67.05515	23.2
69.07071	7.4
71.04989	1.3
71.08642	9.7
79.05499	20.7
81.07076	22.0
81.96275	1.5
83.04978	2.1
83.08602	8.2
85.06556	1.5
91.05483	14.6
93.07049	27.6
95.04959	2.3
95.08604	19.2
97.10191	1.7
98.06732	1.3
99.08085	2.2
99.48071	1.5
105.07043	16.2
106.86813	1.4
107.08590	21.8
107.86375	1.4
109.06551	1.7
109.10146	8.8
111.08086	1.5
117.06984	3.4
119.08590	16.6
121.10144	18.1
122.52697	1.4
123.11707	2.3
125.09508	1.5
129.07047	1.4
131.08588	7.5
133.10129	14.3
135.11699	15.9
139.35603	1.4
143.08629	1.6
145.10109	6.7
147.11723	16.6
147.34923	1.8
148.95842	1.6
149.13277	8.9
151.11201	3.0
157.10159	1.7
159.11714	5.9
161.13281	11.2
163.11157	2.7
163.14893	2.1
171.11646	5.4
175.14803	2.4
179.14272	13.0
185.13257	2.3
213.16331	1.8
231.21072	1.8
237.41679	1.3
241.19562	6.9
259.20526	21.4
277.21674	11.2
351.25311	100.0
359.82813	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	351.2527
Annotation	Tetrahydrocorticosterone
Peak:m/z	Relative Intensity
55.05505	13.1
57.03431	9.9
57.07062	2.0
67.05508	31.1
69.07065	13.7
71.08634	50.7
79.05492	29.8
79.78229	2.2
81.03366	2.9
81.07062	37.3
82.95203	2.1
82.98124	2.9
83.04973	4.9
83.08606	10.2
91.05476	18.1
93.07042	45.0
95.04970	5.8
95.08597	26.7
97.06502	4.3
99.08078	25.7
102.48881	2.3
105.07030	11.4
105.73637	2.1
107.04980	5.1
107.08614	21.5
109.10155	18.8
119.08582	16.1
121.10133	14.9
125.09619	2.8
133.10138	6.1
135.11691	23.1
141.09157	3.2
145.10117	4.0
147.11653	3.1
149.13289	3.4
151.11188	22.7
161.13261	3.8
163.11218	3.8
179.14302	65.2
221.15359	3.0
234.40417	2.8
277.21588	40.0
283.28677	2.7
336.61874	2.8
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	351.264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	3.0
67.05507	12.0
69.07076	7.8
71.08631	1.7
74.08656	1.9
79.05498	7.9
81.03423	2.2
81.07064	20.6
83.04984	2.8
83.08623	8.0
91.05509	12.9
93.07052	15.4
93.89713	1.6
95.04913	1.7
95.08604	18.8
97.06512	3.8
97.10143	3.5
99.08073	3.1
105.07049	10.7
105.22356	1.7
107.04916	2.3
107.08582	15.0
109.06520	2.2
109.10160	9.8
111.08089	4.1
117.07008	3.4
119.08606	12.3
121.10160	14.2
131.08592	10.9
133.10118	19.8
135.08047	3.6
135.11694	9.9
143.08656	2.7
145.10109	12.6
147.11658	12.0
149.09628	3.6
154.12260	1.8
157.10135	3.4
159.11658	10.3
161.13278	7.5
163.11168	11.3
171.11679	6.4
173.13298	7.4
175.14818	2.1
175.90475	2.1
177.12790	3.3
185.13271	2.7
187.14845	9.3
191.20871	1.8
243.21007	2.5
245.53677	1.7
253.19487	7.3
255.16475	2.1
261.22208	1.8
271.20557	9.4
277.21988	1.9
288.23291	15.9
289.21588	37.0
305.25760	6.2
306.24399	20.3
316.22702	3.3
323.26944	71.0
333.25226	12.0
351.21481	100.0
351.26340	36.9
352.24658	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	352.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60644	0.4
52.62686	0.5
54.21879	0.5
69.07059	0.6
81.07047	0.8
93.07076	0.7
108.08937	0.6
109.10182	0.6
177.42358	0.6
188.44560	0.6
219.17505	1.2
252.15668	1.1
263.05942	2.3
291.05246	14.4
292.22769	0.6
294.03964	5.8
306.03839	9.9
307.04892	1.1
308.05524	61.3
308.12720	11.4
318.03931	0.8
319.04739	10.8
320.05615	2.2
320.12830	2.9
322.03448	7.5
322.07050	0.8
322.10660	6.8
323.11542	0.6
334.23654	1.0
336.05075	18.4
336.08591	1.6
336.12192	19.0
337.05792	41.8
337.12692	11.2
352.08157	100.0
352.15207	36.4
352.24643	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	352.1178
Annotation	S-(2-Hydroxyethyl)glutathione
Peak:m/z	Relative Intensity
58.67576	0.3
61.78940	0.4
92.20909	0.5
125.84746	0.4
139.36664	0.5
183.42142	0.5
290.08121	0.7
294.07642	0.8
306.07599	1.8
308.09167	22.3
320.09192	8.1
321.09805	0.5
322.07062	24.2
336.08624	27.8
337.09433	41.0
352.11774	100.0
352.24438	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	352.1177
Annotation	S-(2-Hydroxyethyl)glutathione
Peak:m/z	Relative Intensity
55.53722	0.3
56.22155	0.2
58.20934	0.2
125.72156	0.4
136.06195	0.3
287.29498	0.3
291.08890	0.5
294.07724	0.5
306.07849	0.4
306.11215	0.5
307.08423	0.5
308.09122	5.5
309.10059	0.5
310.10648	0.6
319.08481	0.3
320.09094	1.4
322.07236	0.4
324.12140	2.1
334.10724	4.0
336.08649	22.8
337.05807	0.5
337.09436	8.8
352.11786	100.0
356.31845	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	352.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
63.44118	0.1
68.54250	0.1
71.96835	0.1
74.08138	0.1
88.48019	0.1
120.83524	0.1
127.08610	0.3
136.06165	0.2
138.13388	0.1
182.72493	0.1
208.36890	0.1
224.44972	0.1
241.75655	0.2
291.08859	1.2
294.07593	1.1
307.08563	0.7
308.09161	24.9
318.07675	0.3
319.08398	0.6
320.09155	5.1
321.09900	0.2
322.07104	9.0
323.08008	0.8
334.07065	0.2
334.10687	0.3
336.08658	30.3
337.09439	36.7
352.11786	100.0
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	S-(2-Hydroxyethyl)glutathione
Peak:m/z	Relative Intensity
52.17467	0.9
55.30497	0.7
72.08954	0.9
77.20003	0.9
81.07072	1.2
82.19698	0.8
91.05455	1.0
96.49388	1.0
97.66595	1.0
99.08084	1.2
107.08670	0.8
111.08065	1.2
119.40120	0.9
119.53821	0.9
138.05496	0.9
139.08702	1.0
147.66408	0.9
152.77911	1.0
278.21869	1.2
294.11316	1.3
304.09528	4.9
307.08521	1.0
308.09128	32.8
308.12769	12.6
318.11191	9.5
319.12006	17.5
320.09207	5.5
320.12802	5.4
322.07068	8.8
322.10721	30.8
336.08618	35.6
336.12326	12.5
337.09378	34.0
337.13086	21.0
348.97104	0.9
352.11688	100.0
352.15463	70.3
352.20813	3.9
352.24741	22.1
352.29596	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	352.1177
Annotation	S-(2-Hydroxyethyl)glutathione
Peak:m/z	Relative Intensity
57.79113	0.3
63.72601	0.3
77.15701	0.3
148.05772	0.3
153.63350	0.3
164.60431	0.3
195.78256	0.3
203.13220	0.3
238.66643	0.3
239.89149	0.3
258.53592	0.3
291.08792	1.5
294.07599	1.3
307.08469	1.3
308.09164	32.9
319.08496	0.6
320.09119	5.6
322.07080	11.4
323.08035	0.5
334.07193	0.4
336.08664	38.4
337.09427	39.1
345.68280	0.3
348.15747	0.3
352.11783	100.0
352.24460	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	352.1176
Annotation	S-(2-Hydroxyethyl)glutathione
Peak:m/z	Relative Intensity
52.73196	0.4
56.73236	0.3
67.03669	0.4
82.49609	0.5
100.06467	0.4
112.62607	0.4
150.22232	0.6
202.85995	0.6
294.07629	0.8
307.08386	0.7
308.09122	23.3
320.09247	7.1
322.07086	37.9
336.04550	0.9
336.08624	26.7
336.11771	0.9
337.09424	50.8
352.11758	100.0
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	Unknow
Peak:m/z	Relative Intensity
57.03446	0.9
60.04820	0.6
67.05515	1.3
69.07076	1.0
79.05499	1.3
81.07058	1.7
85.69639	0.8
93.07015	1.5
95.08633	0.9
99.08076	0.8
102.51321	0.7
105.07069	0.8
119.08614	0.8
121.10159	0.9
133.10030	0.8
140.86092	0.8
151.83377	0.7
183.74661	0.8
260.20770	1.6
261.31021	0.9
266.40146	1.0
271.69577	0.9
278.08115	3.4
279.08914	5.3
289.08264	1.1
292.22812	1.1
294.11203	18.7
306.07602	5.6
307.08542	1.7
308.09241	9.0
308.12497	1.3
320.09515	1.5
321.10114	5.6
322.07074	22.7
322.10779	20.5
334.23883	1.1
336.08752	8.6
336.12180	1.8
337.09457	20.4
337.13229	1.7
352.11789	100.0
352.15176	5.5
352.25104	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	352.1176
Annotation	S-(2-Hydroxyethyl)glutathione
Peak:m/z	Relative Intensity
50.34846	0.6
55.05503	0.6
55.78279	0.5
63.89416	0.6
67.05499	0.7
67.53320	0.7
71.08620	0.7
79.05493	1.1
80.64665	0.6
81.07049	1.0
93.07040	0.8
95.51464	0.7
105.07011	0.7
119.08573	0.7
151.11171	0.8
260.20917	0.8
276.47754	0.7
286.27817	0.9
294.07678	1.5
308.09262	9.5
319.08371	5.7
320.09061	1.3
322.07089	93.7
336.08649	1.3
337.09424	91.1
352.11774	100.0
352.25531	5.4
362.52936	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
56.11335	0.4
71.02028	0.4
74.10138	0.4
80.63721	0.4
81.07079	1.0
85.49893	0.4
90.38319	0.4
90.81282	0.4
95.08614	0.7
95.89213	0.4
96.12787	0.4
120.18020	0.4
124.09872	0.4
133.10153	0.5
134.13899	0.4
135.11758	0.6
146.23674	0.4
158.55183	0.4
175.95662	0.4
201.99828	0.4
247.45616	0.4
249.88513	0.5
250.08466	0.5
252.35226	0.4
272.84616	0.4
274.21957	0.4
278.08032	0.7
279.08923	0.5
280.09659	8.6
292.21799	0.5
293.10526	1.6
294.07559	0.9
296.12778	5.5
306.07639	0.8
308.09186	41.0
308.12701	2.7
309.09955	9.4
322.10797	1.8
323.11481	2.0
324.12283	43.2
334.07141	0.7
336.08646	8.7
336.12308	3.4
337.09363	1.7
337.13181	1.6
350.10257	4.8
352.08441	4.8
352.11792	100.0
352.15268	6.0
352.24417	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	352.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57901	0.4
57.00616	0.4
72.48525	0.5
74.36172	0.4
84.57163	0.5
90.99450	0.4
95.91340	0.4
121.30541	0.5
179.84982	0.4
240.38358	0.6
294.07498	0.7
308.09177	26.8
320.09201	3.7
322.07098	7.9
336.04483	1.0
336.08636	30.6
337.05234	0.9
337.09421	35.2
352.11786	100.0
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	S-(2-Hydroxyethyl)glutathione
Peak:m/z	Relative Intensity
52.66125	0.5
75.98365	0.5
81.78069	0.5
103.62591	0.5
132.15308	0.5
150.54752	0.6
238.76900	0.5
256.12799	0.5
259.60428	0.6
294.07397	0.9
308.09155	19.1
320.09183	7.3
321.09906	0.6
322.07104	38.8
322.10376	1.3
336.08676	26.9
337.09451	53.1
351.69437	0.5
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	352.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71370	0.4
60.93994	0.5
70.81325	0.5
75.04639	0.4
120.08109	0.5
161.54752	0.4
259.30182	0.5
291.08957	0.6
294.07623	1.0
307.08316	0.7
308.09177	26.2
308.12711	2.1
308.22238	0.4
318.11310	0.5
319.12012	1.9
320.09293	5.5
321.09869	0.8
322.07080	11.3
322.10748	3.3
323.07910	0.7
334.07126	0.6
336.04578	1.1
336.08652	32.6
336.12170	2.8
337.09445	33.2
337.13150	2.5
352.11758	100.0
352.15482	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	352.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35822	0.2
53.03520	0.2
60.04938	0.2
63.71245	0.2
262.08716	0.2
266.78110	0.2
280.09714	0.4
290.08026	0.4
291.08856	0.3
292.09995	0.3
294.99741	0.2
306.07907	0.2
306.11160	0.5
307.08441	0.9
308.09109	5.3
309.09955	0.4
310.10715	1.0
318.07709	0.3
320.09180	1.0
324.12329	1.6
334.10715	3.9
336.08633	20.8
337.09415	8.4
350.10074	0.2
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	352.1542
Annotation	Palmatine
Peak:m/z	Relative Intensity
66.07540	0.7
67.13351	0.5
78.29099	0.5
87.55740	0.7
112.69553	0.6
247.26817	0.7
291.12274	0.8
294.11194	1.5
308.09174	16.1
308.12827	33.0
320.09204	4.2
320.12842	8.8
321.09915	0.8
322.07074	4.7
322.10754	15.8
336.08600	16.8
336.12299	51.3
337.09357	18.3
337.13101	37.9
352.11667	51.5
352.15436	100.0
352.24554	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	352.154
Annotation	Palmatine
Peak:m/z	Relative Intensity
63.59505	0.5
67.07678	0.5
81.17258	0.6
84.09650	0.6
92.21198	3.5
94.03619	0.7
130.33932	0.6
130.91397	0.5
142.28328	0.5
169.26993	0.6
182.60902	0.6
291.12619	1.2
293.10495	0.8
294.11356	2.5
307.12152	0.7
308.12814	32.6
320.12778	8.1
322.10712	18.2
323.11478	0.7
336.12289	47.2
337.13095	34.1
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	352.154
Annotation	Palmatine
Peak:m/z	Relative Intensity
51.03086	0.3
54.16792	0.4
59.85882	0.4
62.83697	0.3
69.10339	0.4
79.70578	0.4
81.34699	0.4
102.17625	0.4
109.05125	0.4
113.11968	0.4
169.32642	0.4
212.06218	0.4
219.31609	0.5
243.83008	0.5
291.12668	0.9
292.09711	0.9
294.11078	2.3
307.12000	1.8
308.12784	31.9
320.12750	7.6
321.10010	0.7
322.10712	17.0
336.12271	47.3
337.13046	32.4
352.15414	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	352.154
Annotation	Palmatine
Peak:m/z	Relative Intensity
51.88791	0.5
55.32335	0.5
72.41000	0.6
73.62725	0.6
82.18486	0.6
82.55015	0.6
84.78544	0.5
101.42341	0.6
116.27072	0.7
225.60570	0.6
291.12619	0.7
294.11212	3.4
307.08679	0.7
307.12079	1.5
308.09122	7.7
308.12793	29.3
308.37747	0.6
320.09424	1.6
320.12830	6.6
321.10065	0.9
322.06979	2.9
322.10632	19.9
323.11487	0.9
334.20761	0.7
336.08591	7.6
336.12253	48.8
337.09393	8.0
337.13074	33.7
352.11649	21.6
352.15408	100.0
352.24637	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	352.1538
Annotation	Palmatine
Peak:m/z	Relative Intensity
50.03551	0.4
51.33193	0.5
62.94920	0.5
116.01108	0.7
135.47687	0.6
135.97453	0.6
257.78616	0.6
265.77295	0.7
291.12598	2.5
292.09714	1.2
292.13596	0.6
294.11243	0.7
307.12012	1.5
308.12805	30.1
320.12936	7.0
321.09824	0.8
322.10712	17.6
336.12292	46.8
337.13058	29.5
352.15424	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	352.1541
Annotation	Palmatine
Peak:m/z	Relative Intensity
57.47601	0.4
62.40406	0.4
62.82523	0.4
68.58652	0.4
69.60952	0.5
80.02726	0.5
82.56576	0.4
92.21046	0.6
92.64606	0.5
125.98287	0.5
142.01749	0.5
176.80327	0.5
177.01390	0.5
222.58054	0.5
291.12589	0.9
292.09906	0.8
294.11237	2.5
308.12817	27.9
320.12723	7.2
322.10690	15.9
336.12302	40.5
337.13077	29.5
346.23709	0.7
352.15436	100.0
356.29095	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54019	0.3
58.91614	0.4
63.61080	0.4
65.70411	0.4
67.26295	0.5
70.42406	0.4
92.76054	0.4
96.52953	0.4
114.29728	0.5
178.45847	0.6
179.55081	0.4
196.80801	0.5
287.11566	0.5
292.09738	1.6
293.10141	0.6
294.07993	0.8
294.11258	3.2
306.07346	0.6
307.12018	1.1
308.09177	6.2
308.12704	33.9
320.09192	1.8
320.12787	9.3
321.09799	1.1
322.07053	5.1
322.10748	16.2
336.08603	5.5
336.12262	45.0
337.09348	8.7
337.13080	35.0
352.11639	24.0
352.15405	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	352.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27770	1.1
53.02402	1.1
53.03946	1.6
55.01870	4.9
55.05520	1.5
55.72346	1.2
57.03437	2.7
60.04505	1.1
61.02940	2.8
64.27566	1.1
67.05509	5.7
67.66238	1.3
68.34093	1.4
69.03434	25.6
69.07070	29.0
69.14475	1.3
71.04981	7.3
73.02913	5.3
79.05518	1.7
81.03425	17.3
81.07057	8.0
85.02911	100.0
87.00835	43.3
88.03961	2.4
91.03939	1.5
93.07043	6.9
95.08628	3.0
97.02896	38.7
97.06514	8.9
97.10152	2.3
99.04443	14.3
105.01873	91.8
107.08621	2.5
108.04465	2.9
109.02879	26.1
116.07092	2.0
120.01164	7.7
120.08104	13.4
121.10147	1.4
122.02716	2.5
125.09639	1.9
127.03919	75.8
129.01797	2.9
131.08589	2.1
133.10199	2.1
134.08109	3.0
135.11716	2.6
145.04961	38.4
149.13223	1.8
155.10620	2.4
159.02876	14.4
159.11700	2.0
177.12788	1.8
189.04010	1.4
191.11765	2.2
195.13797	8.0
213.04056	1.5
213.14923	14.9
226.41505	1.3
231.04987	32.4
248.07545	1.7
249.06065	32.8
249.37965	1.3
270.15137	1.6
288.16119	1.9
334.16846	32.4
352.08188	3.4
352.17984	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	352.16
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90712	0.8
53.03954	1.5
55.01879	2.2
55.05516	1.8
56.05045	1.1
57.03427	1.2
60.04528	14.7
61.02921	1.2
69.03442	11.0
69.07081	8.1
71.05012	1.5
71.55558	0.9
72.08158	42.4
73.02911	2.0
81.03429	4.8
81.07053	2.1
85.02909	44.2
85.06548	1.7
86.09719	1.5
87.00826	14.6
87.05130	1.6
87.05585	13.5
91.05487	1.6
93.07029	5.5
95.08588	1.4
95.85107	0.9
97.02895	17.1
97.06494	1.1
98.37153	1.1
99.04455	7.3
105.01869	27.8
105.07053	1.4
108.04486	1.2
109.02866	12.9
109.06531	1.4
111.08086	7.8
114.09174	15.0
120.08105	19.6
123.08070	1.1
123.29965	1.1
127.03924	30.8
129.01831	1.7
137.05927	1.3
145.04953	11.8
146.06062	1.5
147.08072	2.2
151.07574	1.5
153.09099	5.1
155.10648	1.5
159.02904	8.4
159.11292	100.0
165.09096	1.5
166.08652	15.1
177.09122	7.5
181.06866	1.2
187.10774	41.4
191.41736	1.2
195.10202	15.1
231.04994	11.9
249.06116	8.5
281.10242	2.6
299.11157	6.0
352.15393	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	352.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15213	0.3
60.04520	0.7
61.83315	0.3
67.05510	0.4
70.06590	0.4
72.08157	0.3
84.08189	0.4
85.02882	0.5
103.03894	0.4
110.07172	0.3
119.03471	0.4
120.01154	1.5
120.08099	5.2
136.06190	95.0
137.05859	0.4
139.05023	0.4
148.06194	2.8
159.06711	0.5
166.08620	3.2
175.09804	0.5
177.10240	0.5
185.08223	4.7
202.09073	0.6
202.10895	13.9
202.12764	0.6
220.11934	100.0
223.10719	1.6
265.16531	0.4
278.08905	0.3
314.65234	0.3
352.16153	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	352.1654
Annotation	Aniflorine
Peak:m/z	Relative Intensity
50.56564	0.5
50.76395	0.4
62.53108	0.6
69.19206	0.5
81.06262	0.5
90.20251	0.6
91.05512	0.5
118.06519	0.9
120.08102	12.9
130.06535	27.7
131.08582	0.6
132.08098	32.8
134.55254	0.6
136.06186	1.0
142.06528	0.8
144.06953	1.0
144.08093	37.6
146.06001	14.1
159.09177	100.0
160.07539	4.4
170.06013	18.4
170.93666	0.6
175.08685	0.9
177.83217	0.7
179.61850	0.8
188.07060	0.6
223.11562	0.6
247.12268	0.7
272.86267	0.6
278.08105	0.7
307.14435	0.9
320.09390	0.8
335.13889	54.5
352.08005	1.1
352.11862	4.2
352.16525	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	352.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99301	0.4
81.07064	0.5
83.08597	0.6
87.04484	0.5
91.05444	0.6
103.05486	0.5
110.07131	0.6
117.05746	0.7
118.06569	0.8
120.08107	13.0
130.06525	29.0
131.04909	0.6
132.08089	30.2
136.06181	3.9
142.06508	2.9
144.08086	40.0
146.06003	14.9
155.14346	0.8
159.09174	100.0
160.07555	3.6
166.08640	0.6
170.05998	21.3
172.07584	0.5
175.08696	0.6
192.06535	0.7
254.10124	0.6
293.12854	1.1
335.13876	55.9
352.07840	0.5
352.12201	1.4
352.16370	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	352.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52605	2.1
55.01886	3.9
55.05519	4.1
56.45944	2.3
57.55011	2.7
62.83747	2.5
67.05506	14.1
69.03432	12.0
69.07069	28.3
71.05000	19.1
72.08158	6.3
74.00654	11.7
79.05506	2.6
81.03411	4.2
81.07056	23.7
81.83013	2.9
83.04964	5.2
83.08636	4.2
85.02905	41.7
85.06536	3.7
86.09689	3.5
87.00830	12.8
87.04459	3.2
88.03982	6.9
91.05472	3.3
93.07036	18.1
95.08612	15.1
97.02905	15.3
97.06528	28.6
97.10162	4.9
98.06094	3.7
99.04456	4.4
105.01886	35.1
105.07043	3.9
107.08611	5.1
109.02897	5.2
109.10194	11.2
111.08060	3.8
117.06968	2.9
120.01144	14.8
120.08076	18.9
120.72704	2.6
121.10098	3.8
122.02739	6.8
125.04217	3.9
125.09631	11.6
127.03914	36.2
131.08562	4.7
133.10158	5.3
134.48428	3.0
135.11661	14.5
145.04976	14.9
147.11702	11.9
149.13239	11.7
153.07523	2.8
155.10677	4.0
159.11435	22.8
165.12706	3.8
174.03918	3.9
177.12733	16.4
180.06512	10.1
181.06866	12.8
184.07162	3.3
186.17224	3.0
187.10695	5.5
195.13806	32.8
198.07593	4.0
199.07964	6.4
213.14847	48.4
217.66859	2.7
223.11200	3.2
224.66057	2.8
231.05016	13.7
249.06046	11.8
270.15314	3.6
288.16199	5.0
298.14822	4.9
316.15805	10.8
317.14185	5.1
334.16818	100.0
352.08145	16.5
352.17950	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	352.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05818	0.6
56.05038	1.1
60.04535	0.9
60.05641	0.7
69.07041	0.9
70.06590	4.4
72.08163	9.2
76.05150	0.9
84.04491	0.8
84.08144	4.2
86.09703	16.4
91.05479	1.6
94.70650	0.7
110.07146	0.8
119.04926	3.2
120.08083	4.8
128.93852	0.7
129.10245	1.4
132.10197	5.4
136.07578	100.0
143.11836	0.9
147.04373	1.0
148.07570	1.0
166.08644	5.0
177.09618	0.7
181.09698	0.7
187.10753	3.7
193.09718	38.5
221.09218	17.7
230.18271	0.7
253.12215	0.9
253.15118	1.2
291.21811	0.8
309.06323	1.3
321.67844	0.8
352.08115	9.7
352.11688	1.2
352.18536	3.5
352.21921	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	352.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04527	3.3
69.03387	0.6
70.06594	1.4
72.08165	5.9
80.19209	0.6
81.37839	0.6
84.08172	1.3
86.09701	16.3
87.05583	3.6
87.10028	0.8
91.05463	1.1
94.73526	0.6
95.63059	0.7
109.10150	3.8
117.15971	0.6
118.08615	1.0
119.04935	1.1
120.08107	24.5
129.10213	1.1
132.10170	4.6
133.78654	0.7
136.07579	100.0
143.08200	1.1
144.08102	3.3
152.46623	0.6
155.10631	6.5
162.09151	7.7
166.08595	1.3
173.11774	0.9
179.36629	0.8
193.09723	40.0
207.11284	22.0
221.09207	18.1
235.10739	7.4
261.76254	0.8
315.10748	0.9
352.08145	3.4
352.18491	3.4
352.22003	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	352.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	5.9
56.05031	1.5
60.04534	14.6
70.06583	3.6
72.08164	100.0
84.08154	2.2
84.64015	0.9
86.09707	4.4
87.05568	1.3
97.49773	1.0
109.60025	1.0
111.09222	1.5
120.08116	37.4
129.10262	1.2
130.69582	0.9
136.07610	10.8
141.10344	1.0
143.41414	1.0
159.11287	15.3
166.08638	54.4
169.92365	0.9
178.05904	1.2
187.10794	37.6
207.11351	8.7
235.10808	3.8
253.11824	24.5
265.07205	1.5
283.92792	1.0
309.06329	2.1
324.08746	1.5
334.17639	1.9
337.05826	1.2
352.08066	16.5
352.11853	1.2
352.18475	10.5
362.78049	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	352.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	11.4
57.79545	0.8
69.07063	4.2
70.06593	5.1
72.08156	4.6
73.04039	0.9
74.06087	5.1
75.05606	26.7
75.29652	0.7
84.04526	0.9
84.08138	3.5
86.09711	69.9
91.05482	0.9
101.07148	18.3
107.05044	0.9
108.78902	0.8
117.78293	0.8
119.04945	1.7
120.08096	3.8
123.04422	4.6
127.07562	1.6
129.10236	3.3
130.06525	5.1
136.07581	33.9
137.05997	4.9
138.36453	0.8
141.06685	1.0
141.59697	0.8
142.05038	0.8
143.11804	100.0
144.08110	1.0
146.05997	7.0
146.16753	0.9
147.04416	3.2
155.07031	0.9
158.08403	1.6
159.09198	4.4
165.05475	20.4
169.07635	1.4
171.09161	1.6
171.09656	1.1
171.11287	27.0
172.07649	0.9
182.06389	1.6
182.08115	31.3
188.07072	12.3
197.10768	1.3
215.08139	1.1
225.06721	1.1
225.10329	1.1
242.13004	1.4
243.07576	2.1
270.12344	1.5
288.13464	7.6
306.12714	1.6
334.11826	1.1
351.58447	1.0
352.08405	3.0
352.13223	19.2
352.18893	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	352.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72552	0.4
55.05516	2.3
60.04529	14.3
61.27246	0.4
65.87057	0.4
69.03430	2.3
69.07069	5.0
72.08157	44.5
81.03442	1.2
81.07059	0.6
85.02901	11.4
86.09712	2.1
87.00829	3.6
87.05592	14.9
93.07047	0.7
97.02894	4.5
99.04441	2.0
105.01881	9.9
109.02872	3.5
109.07678	0.5
109.10168	0.5
114.08442	0.5
114.09159	18.0
120.08109	21.8
127.03253	0.5
127.03938	7.4
129.01839	0.7
131.03975	0.6
131.08577	0.7
142.08652	0.6
145.04961	3.7
155.10719	0.5
159.02892	2.3
159.11281	100.0
166.08640	14.1
174.47675	0.5
176.43097	0.5
177.09216	0.5
186.93759	0.6
187.10780	42.9
195.10211	1.3
231.04987	3.2
249.05937	1.3
299.11096	0.7
317.61810	0.5
352.18561	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	352.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	1.1
55.77374	0.4
57.27267	0.4
60.04535	12.3
60.15347	0.5
69.03439	1.2
69.07069	2.5
70.02959	0.6
70.06596	0.6
72.08161	49.3
73.02936	0.6
81.03427	1.2
82.58854	0.5
83.72721	0.5
84.95074	0.5
85.02921	6.8
86.09695	2.6
87.00832	1.2
87.05094	0.8
87.05602	14.3
96.08112	0.9
97.02898	2.5
99.04462	1.3
105.01871	4.8
109.02895	2.1
114.09180	17.4
120.08112	23.9
127.03910	4.0
129.01826	0.6
131.04889	0.6
145.05000	2.3
153.09077	0.7
159.02907	0.9
159.11292	100.0
163.07875	0.5
166.08620	12.2
187.10782	38.9
195.10170	1.1
231.04947	2.1
249.06084	1.0
285.64999	0.6
285.71799	0.5
299.11343	0.7
307.40851	0.5
334.16946	1.0
352.18375	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	352.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	1.4
55.71684	0.5
57.78347	0.7
67.05527	4.8
67.09094	0.7
69.03435	6.9
69.07072	3.7
70.06573	2.7
71.04984	1.5
72.08152	1.6
79.05484	1.3
81.07059	1.0
81.78455	0.6
84.08146	5.0
85.02905	5.8
85.08437	1.4
86.09705	4.3
87.05628	0.6
87.10023	0.6
91.05489	6.0
92.06287	0.6
93.07037	10.8
95.04977	0.7
95.08607	50.4
97.02949	0.7
97.06516	1.1
99.04450	4.0
101.01728	67.3
109.10161	23.7
111.08074	1.2
113.06019	3.0
119.08580	38.8
120.08112	3.2
127.03912	3.2
129.09094	1.6
129.10266	0.8
130.08704	0.9
136.06166	3.4
136.07584	10.2
136.94626	0.6
137.09619	100.0
143.02794	1.5
145.04901	1.4
150.05461	0.8
151.18724	0.7
154.04976	4.8
155.10661	50.9
161.34721	0.7
165.05577	0.6
170.56236	0.7
173.11720	68.5
182.08141	0.8
193.09734	1.6
205.06059	1.1
220.11977	3.3
249.06073	0.9
264.07983	9.9
306.09006	1.3
307.21091	0.9
309.06479	1.5
310.08499	17.0
320.08633	6.5
324.08743	0.9
335.16599	1.0
352.09579	22.7
352.23148	4.6
373.81586	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	352.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58390	0.5
52.92724	0.5
53.93937	0.5
55.54766	0.5
58.73609	0.5
60.32185	0.5
64.02810	0.6
64.37364	0.6
67.05491	2.2
69.07059	0.7
72.51331	0.6
73.02811	0.6
76.79142	0.6
79.05507	1.0
81.07053	3.4
83.08641	0.6
91.05455	1.1
93.07040	2.8
94.07381	0.7
95.08614	1.3
105.07037	2.7
107.08606	3.0
108.08941	0.8
119.08562	1.3
121.10117	1.5
125.09562	0.6
133.10083	0.8
135.11592	0.9
136.12065	0.9
147.11685	1.2
161.13205	0.9
162.13582	0.8
172.58928	0.7
173.13268	0.9
180.48344	0.8
194.11522	21.9
206.15279	0.6
207.53989	0.7
210.11049	0.9
224.12532	11.7
224.19884	0.6
242.19881	0.8
259.43274	0.6
260.20956	2.9
275.20081	0.7
292.22528	0.6
308.12894	0.7
334.27414	1.4
336.12436	1.0
337.09317	0.8
340.03360	0.7
352.24625	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.7
55.05519	1.3
57.03411	0.9
62.06097	57.2
62.06421	2.0
67.05515	6.4
67.30938	1.0
69.07066	10.5
73.40413	0.8
75.14177	0.9
76.59453	0.8
79.05494	7.4
81.07054	7.5
83.08632	1.3
84.68552	0.8
89.89799	0.8
91.05444	1.2
92.63866	0.9
93.07030	6.9
95.04978	1.5
95.08604	5.0
97.02896	2.0
97.06521	1.0
97.10171	4.0
105.07021	4.6
107.08590	5.1
109.10150	1.8
118.67911	1.0
119.08585	4.7
120.08929	1.1
121.10157	4.4
123.08039	1.4
124.11217	4.7
125.09625	1.8
131.08546	1.7
133.10124	2.0
135.11684	1.6
137.09671	0.9
145.10107	1.1
147.11688	1.7
163.14844	1.0
170.11728	1.2
175.11215	1.0
180.09990	1.3
194.11615	1.3
196.13344	15.2
214.14375	7.9
223.13216	2.0
241.59941	0.9
260.20801	2.2
273.18512	4.1
291.13785	1.0
291.19568	14.9
293.67111	0.9
316.22620	7.4
317.20831	1.1
334.23755	100.0
352.11703	7.0
352.15619	3.1
352.25165	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	352.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55729	1.1
55.05528	6.0
57.06772	1.1
57.07077	2.1
59.90367	1.3
66.98033	1.2
67.05518	14.0
68.05846	2.3
69.07085	3.2
79.05495	17.1
80.05844	5.9
81.07070	16.2
82.07412	6.8
83.08632	2.3
91.05487	12.3
92.05824	3.4
93.07056	24.5
94.07381	10.4
95.04960	1.5
95.08622	9.5
96.08968	6.6
99.08089	1.8
105.07036	15.5
105.12648	1.5
106.07392	8.5
107.08601	11.2
108.08938	8.7
109.10170	5.3
110.10526	2.1
117.07061	1.7
119.08601	17.7
120.08924	11.9
121.10155	12.4
122.10493	8.5
131.08597	5.7
132.08943	5.7
133.10138	11.4
134.10442	10.1
135.11665	10.1
136.12067	9.1
137.09578	1.8
138.12857	1.4
144.08942	2.0
145.10146	6.2
146.10516	6.0
147.11694	9.6
148.12044	13.5
149.13330	5.8
150.13643	5.2
157.10117	1.9
158.10506	1.9
159.11707	3.3
160.12056	6.5
161.13295	8.8
162.13628	10.6
171.11685	1.8
172.12045	3.2
173.13187	1.3
174.13640	3.0
176.15157	2.9
185.13351	1.8
186.13628	1.6
199.14874	1.7
222.14716	7.3
232.21349	1.5
241.19614	2.0
242.19774	13.3
259.20648	6.8
260.20917	40.6
311.87396	1.5
314.62689	1.4
334.24872	2.0
336.12482	2.1
352.15741	4.2
352.25412	100.0
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
51.55729	1.1
55.05528	6.0
57.06772	1.1
57.07077	2.1
59.90367	1.3
66.98033	1.2
67.05518	14.0
68.05846	2.3
69.07085	3.2
79.05495	17.1
80.05844	5.9
81.07070	16.2
82.07412	6.8
83.08632	2.3
91.05487	12.3
92.05824	3.4
93.07056	24.5
94.07381	10.4
95.04960	1.5
95.08622	9.5
96.08968	6.6
99.08089	1.8
105.07036	15.5
105.12648	1.5
106.07392	8.5
107.08601	11.2
108.08938	8.7
109.10170	5.3
110.10526	2.1
117.07061	1.7
119.08601	17.7
120.08924	11.9
121.10155	12.4
122.10493	8.5
131.08597	5.7
132.08943	5.7
133.10138	11.4
134.10442	10.1
135.11665	10.1
136.12067	9.1
137.09578	1.8
138.12857	1.4
144.08942	2.0
145.10146	6.2
146.10516	6.0
147.11694	9.6
148.12044	13.5
149.13330	5.8
150.13643	5.2
157.10117	1.9
158.10506	1.9
159.11707	3.3
160.12056	6.5
161.13295	8.8
162.13628	10.6
171.11685	1.8
172.12045	3.2
173.13187	1.3
174.13640	3.0
176.15157	2.9
185.13351	1.8
186.13628	1.6
199.14874	1.7
222.14716	7.3
232.21349	1.5
241.19614	2.0
242.19774	13.3
259.20648	6.8
260.20917	40.6
311.87396	1.5
314.62689	1.4
334.24872	2.0
336.12482	2.1
352.15741	4.2
352.25412	100.0
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
52.68918	1.1
55.05513	6.2
57.03441	6.9
57.07071	1.3
61.02940	1.3
61.65311	1.2
64.61770	1.4
64.82197	1.2
67.05508	22.4
68.05843	2.6
69.07076	8.8
71.08630	13.2
72.08968	5.7
73.57457	1.4
76.05157	2.8
79.05499	10.4
80.05824	2.8
81.03439	2.1
81.07066	13.5
82.07396	6.6
83.08640	2.1
85.06573	2.2
85.38016	1.5
86.30721	1.3
91.05474	6.8
92.05865	1.6
93.07032	14.1
94.07365	2.4
95.04958	1.8
95.08611	12.6
97.10180	2.2
98.10535	1.7
99.08115	7.0
105.07040	8.6
106.07385	2.1
107.08621	9.7
108.08950	7.4
109.06432	1.9
109.10169	8.6
110.10524	5.9
119.08600	5.9
120.08910	1.8
121.10172	6.9
133.10138	2.4
134.10512	5.9
135.11667	3.1
136.12057	3.5
147.11693	3.0
148.11987	2.8
149.13280	1.7
150.13638	1.7
151.11232	6.2
152.11537	2.2
161.13274	2.3
162.13593	6.0
163.11169	1.9
166.73631	1.4
180.14630	1.9
194.11560	15.5
224.12650	6.8
242.19930	2.0
260.21002	8.5
277.21436	2.0
278.21918	20.0
322.07098	2.0
334.24185	1.9
336.12576	1.8
337.09460	6.0
337.13324	2.4
352.11850	7.7
352.15601	2.5
352.21106	3.4
352.25266	100.0
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
52.68918	1.1
55.05513	6.2
57.03441	6.9
57.07071	1.3
61.02940	1.3
61.65311	1.2
64.61770	1.4
64.82197	1.2
67.05508	22.4
68.05843	2.6
69.07076	8.8
71.08630	13.2
72.08968	5.7
73.57457	1.4
76.05157	2.8
79.05499	10.4
80.05824	2.8
81.03439	2.1
81.07066	13.5
82.07396	6.6
83.08640	2.1
85.06573	2.2
85.38016	1.5
86.30721	1.3
91.05474	6.8
92.05865	1.6
93.07032	14.1
94.07365	2.4
95.04958	1.8
95.08611	12.6
97.10180	2.2
98.10535	1.7
99.08115	7.0
105.07040	8.6
106.07385	2.1
107.08621	9.7
108.08950	7.4
109.06432	1.9
109.10169	8.6
110.10524	5.9
119.08600	5.9
120.08910	1.8
121.10172	6.9
133.10138	2.4
134.10512	5.9
135.11667	3.1
136.12057	3.5
147.11693	3.0
148.11987	2.8
149.13280	1.7
150.13638	1.7
151.11232	6.2
152.11537	2.2
161.13274	2.3
162.13593	6.0
163.11169	1.9
166.73631	1.4
180.14630	1.9
194.11560	15.5
224.12650	6.8
242.19930	2.0
260.21002	8.5
277.21436	2.0
278.21918	20.0
322.07098	2.0
334.24185	1.9
336.12576	1.8
337.09460	6.0
337.13324	2.4
352.11850	7.7
352.15601	2.5
352.21106	3.4
352.25266	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28557	0.9
55.05512	2.1
58.02952	4.7
58.03832	0.8
62.14563	0.8
67.05509	13.7
69.07066	7.8
70.06592	20.3
71.08623	1.6
72.08155	1.6
79.05480	6.0
81.07054	13.9
82.06577	6.4
83.08616	2.3
84.04496	2.3
84.51642	1.0
86.09703	1.0
89.73637	0.8
91.05443	1.5
93.07044	7.8
94.06583	4.8
95.08598	9.6
96.08114	5.8
97.06549	1.1
97.10139	1.6
105.07027	1.0
107.08576	6.5
109.10134	8.6
114.12771	1.7
119.08537	1.5
121.10089	2.5
123.08111	1.0
126.12780	19.7
133.10135	1.1
135.11707	1.6
145.10103	2.2
147.11693	1.2
154.12282	5.7
156.13757	1.2
162.12718	1.3
163.11160	1.5
166.15883	13.8
180.13805	4.9
208.13351	1.5
212.16402	13.2
220.16942	6.4
240.15935	4.7
250.17957	1.1
251.90654	1.1
252.19495	20.6
336.12329	1.8
352.15668	1.4
352.28433	100.0
357.18835	1.1
362.52805	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	352.3208
Annotation	N-cis-11,14-eicosadienoyl ethanolamine
Peak:m/z	Relative Intensity
50.40518	1.5
55.01875	10.8
55.05523	17.0
55.42844	1.4
57.07071	11.6
67.05183	2.4
67.05511	47.0
69.07071	34.0
71.04956	2.2
71.08624	6.8
72.90779	1.6
79.05491	11.4
81.06615	3.5
81.07063	67.2
83.04984	4.1
83.08628	47.8
85.06538	3.6
85.10172	1.6
93.07040	23.6
95.08607	66.2
97.06509	8.0
97.10158	20.7
99.08082	2.5
101.09654	2.6
105.07053	4.1
107.08582	18.1
109.10152	32.9
111.08107	6.1
119.08591	3.6
121.10124	20.6
123.11707	13.8
131.08511	2.4
133.10098	2.4
135.11702	14.7
137.13245	2.6
149.13251	11.4
151.11195	1.9
151.14803	3.2
167.14310	13.2
195.13794	3.3
195.17451	3.6
195.56128	1.8
209.15517	2.1
212.16464	2.5
241.37396	2.1
284.27570	1.9
307.30032	6.4
317.28394	3.9
335.29437	98.8
352.15311	7.3
352.25018	7.7
352.32092	100.0
352.36450	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	352.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90230	0.4
56.93821	0.4
57.07081	0.6
63.87418	0.4
69.51212	0.4
81.52913	0.4
84.59914	0.4
85.40694	0.5
86.09706	12.7
89.60218	0.4
91.94953	0.5
92.21585	0.6
101.05093	0.5
129.71379	0.5
187.09790	0.5
187.58751	0.5
284.09448	0.5
352.15720	0.8
352.35718	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.2
61.02934	0.5
68.12143	0.2
69.03443	2.2
69.07040	0.3
71.05016	0.2
73.02877	0.3
81.03411	0.3
81.07039	0.3
84.57037	0.2
85.02903	3.4
86.03212	0.5
87.00803	0.3
89.03899	1.2
91.26722	0.2
93.07858	0.2
95.01328	0.6
95.08569	0.4
97.02882	1.4
99.04435	0.3
105.01850	1.3
108.04462	0.2
109.02859	0.5
109.06528	0.2
117.03378	4.8
119.18333	0.2
119.53085	0.2
121.10144	0.4
127.03902	1.3
128.04227	0.5
131.08562	0.4
133.10081	0.4
135.08087	0.3
135.11639	0.5
136.07573	0.3
141.01833	1.2
145.02847	44.9
147.04402	1.6
149.05951	1.7
149.09650	1.1
152.07060	1.0
162.06726	0.3
163.14772	0.3
164.07082	1.5
173.07108	8.3
173.13188	0.8
177.05463	100.0
191.08162	9.8
191.14310	4.8
216.66718	0.2
232.07307	0.4
250.06267	0.3
260.06754	1.9
336.81766	0.2
353.08694	20.4
353.13278	2.4
353.19742	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	353.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62224	0.6
54.97044	0.7
55.05521	1.9
60.05661	1.4
60.49670	0.6
61.81554	0.8
74.00686	6.5
81.07072	1.9
83.08623	8.9
84.04543	1.1
84.05633	1.6
84.08122	0.8
85.06440	1.5
86.07198	25.4
87.02686	4.4
87.07982	1.7
90.01263	6.2
92.21017	1.5
97.22678	0.8
99.08125	1.1
101.03550	0.9
107.04970	1.2
107.99403	0.8
112.03938	1.8
112.05093	55.5
113.05875	5.2
114.06652	1.0
116.02806	3.5
124.05013	1.3
130.05009	10.8
131.04576	1.2
132.98912	1.4
142.06105	5.8
144.02269	24.6
145.06145	1.1
147.04407	3.4
156.04050	1.7
161.38644	0.9
165.04030	24.2
167.07051	1.7
170.05608	10.0
177.03281	12.5
178.00984	5.9
180.09938	1.5
187.08244	4.0
188.09070	1.0
191.07059	1.6
202.02818	1.8
204.04347	1.6
219.05490	24.3
233.09627	0.9
249.52440	0.9
260.08359	0.9
261.09290	1.7
278.09882	11.4
289.08582	1.3
290.09677	1.1
306.08636	1.0
308.98877	0.9
321.11139	1.1
334.74973	0.9
353.13144	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.6
60.46872	1.0
69.03443	1.2
70.06590	6.1
72.08150	5.7
75.67157	1.0
84.04516	2.1
84.08147	2.8
85.02906	1.6
86.09715	1.9
96.04480	5.1
99.44197	1.2
102.05531	1.3
108.04515	1.8
109.02910	1.6
110.06075	1.6
110.07169	1.5
120.08114	2.6
121.08417	2.0
124.03943	1.7
129.10223	2.3
136.07576	5.8
138.05513	1.8
146.09244	25.2
150.05461	1.3
152.07053	4.5
162.09132	1.5
164.07062	4.7
165.05414	2.0
166.04942	2.1
166.08691	1.5
166.68553	1.2
175.08704	2.0
177.05496	1.8
180.10229	5.1
189.21292	1.3
191.08170	1.7
196.10828	4.5
198.09129	1.9
201.10133	1.4
202.08659	2.0
208.09741	14.6
214.07332	2.6
215.11713	12.4
216.10165	4.8
218.08159	2.7
222.07581	1.6
225.10208	1.1
226.08621	5.4
227.08185	5.0
229.09807	16.7
230.08232	2.0
239.08049	1.7
242.10606	1.7
243.11273	53.3
244.09685	12.8
245.09312	2.1
246.07652	7.3
253.09715	5.1
254.08253	1.4
257.09152	18.4
260.09186	4.5
265.04984	1.7
271.10760	100.0
272.09229	6.1
273.12308	1.4
281.09091	1.8
287.10297	2.0
289.11844	2.5
290.10193	11.5
299.10263	15.8
306.09641	11.4
307.75006	1.3
308.11398	2.7
311.06531	1.7
317.11334	36.5
318.09540	2.0
335.12363	77.2
336.10782	24.7
340.36099	1.2
353.07370	2.7
353.13239	8.8
353.18176	21.1
353.21912	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	353.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32098	0.5
55.01885	0.8
56.05042	1.4
58.04089	0.9
60.05652	1.2
67.17005	0.5
72.04525	4.6
74.06087	1.1
76.04703	1.0
76.05133	22.2
85.02908	0.8
97.02920	0.7
99.55984	0.6
101.02374	1.0
101.36736	0.6
102.05545	1.3
109.05228	0.6
112.05106	0.8
115.03944	1.3
117.03386	3.9
118.05008	10.0
118.90733	0.5
120.06569	1.2
131.09270	1.0
133.05006	0.9
136.07603	4.2
140.01669	0.8
145.02849	38.1
146.03815	2.9
149.05968	2.4
154.09773	1.0
159.08804	3.2
160.07170	30.8
172.04230	1.9
177.05472	100.0
177.09811	41.0
177.11372	1.4
186.05092	0.9
193.97565	0.6
197.09828	0.6
203.07790	3.8
252.09746	1.0
260.06940	1.0
271.10730	1.2
317.11450	0.7
336.11911	6.0
353.10858	6.6
353.14621	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	353.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88386	0.4
53.24461	0.4
53.63824	0.5
59.28328	0.4
88.78732	0.5
176.62357	0.5
251.12405	0.5
272.20303	0.7
292.12955	0.8
293.09827	0.6
295.11469	1.1
308.12469	3.6
309.13116	28.9
321.09708	0.9
321.13095	6.5
322.10516	2.5
323.11014	13.7
336.12387	0.9
336.21805	1.1
337.12656	42.3
338.13425	29.1
353.15765	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	353.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23922	0.7
51.29394	0.5
60.05648	1.5
65.95474	0.6
73.02872	0.8
85.02905	1.2
86.06086	6.6
87.04472	10.1
96.04473	0.8
104.07101	3.6
120.08102	3.4
121.08432	4.3
125.50368	0.8
128.08205	4.5
129.06593	1.4
132.09291	0.8
134.09610	0.8
135.08073	0.8
136.07573	4.2
146.09245	100.0
152.10658	0.9
162.09148	9.4
176.96800	0.9
180.10196	22.4
180.40482	0.7
190.08684	3.0
196.10826	20.3
198.09126	1.1
200.10400	1.2
208.09685	64.4
214.11816	1.4
215.11757	4.2
216.10149	0.8
226.08572	1.3
228.10458	0.9
229.09799	5.3
243.11253	12.5
244.09680	3.9
246.07593	1.0
253.09750	0.9
257.09134	5.8
257.79465	0.8
260.09140	1.4
262.10858	1.0
271.10754	30.0
272.09210	3.2
273.12238	1.1
278.10394	1.0
289.11969	1.2
290.10172	3.6
299.10184	4.6
306.09738	3.5
317.11258	10.4
335.12457	23.9
335.16818	2.5
336.10629	8.5
353.18167	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	353.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.0
57.03429	1.3
69.03435	15.6
69.07068	13.3
73.02888	1.2
74.14998	0.9
81.03407	1.6
81.07072	2.2
83.01343	1.7
83.05000	2.1
83.08643	7.8
84.04473	1.4
85.02915	13.9
85.06542	1.2
91.05434	1.0
93.07046	1.3
95.08618	6.3
97.02888	2.1
105.07051	2.1
107.08559	8.4
109.02831	1.0
109.06485	1.5
111.08075	5.1
119.08573	2.3
121.06400	1.0
121.10131	6.3
123.08059	4.7
127.03910	4.0
131.08574	7.3
133.10139	8.4
135.08066	17.1
135.11707	4.5
137.05995	1.5
137.09637	1.4
145.10158	2.2
146.09248	4.1
147.11720	4.7
149.09578	6.9
149.13228	1.9
158.10811	1.6
163.08656	1.7
163.14842	3.9
173.13255	19.6
175.14806	1.3
191.08241	1.6
191.14304	100.0
191.20807	1.0
214.11835	1.2
229.90552	1.0
330.16885	1.0
335.12625	1.3
335.16309	1.2
353.13223	2.2
353.19791	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	353.23
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.6
55.63182	0.5
56.44425	0.6
56.44722	0.7
56.45249	0.6
57.03437	1.4
57.07072	2.7
62.11454	0.6
67.05513	15.9
69.07059	4.0
71.05038	0.6
71.08646	0.9
77.95997	0.8
79.05501	10.2
81.07066	20.4
82.98865	0.7
83.04988	1.5
83.08620	3.0
91.05479	3.6
92.21558	0.7
93.07042	13.3
95.04957	0.8
95.08600	17.2
96.47814	0.8
97.06525	0.8
97.10146	1.2
99.08091	1.4
105.07066	3.4
107.08615	10.4
109.06493	1.6
109.10165	9.5
116.92473	0.7
117.07041	1.3
119.08558	1.5
121.10144	9.7
123.08081	6.5
123.11686	3.2
127.07585	1.6
131.08560	5.1
133.10135	4.4
135.11714	6.8
137.09592	1.7
137.13231	1.0
145.10144	3.0
147.11681	1.7
149.09677	1.4
149.13255	4.7
159.11652	3.9
161.13341	2.5
163.11212	1.0
163.14827	3.1
173.13237	3.7
177.16391	1.2
187.14813	1.5
192.75189	0.8
201.11176	0.9
243.21091	7.2
261.19217	1.3
261.22113	23.0
279.19559	9.4
279.22363	1.2
307.80200	0.7
312.48370	0.9
318.24548	1.0
335.21918	0.9
335.25763	4.2
353.22964	100.0
353.26913	6.8
354.28702	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	353.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94405	0.3
59.61919	0.4
85.57021	0.4
118.75533	0.4
122.28531	0.5
135.04778	0.4
139.56383	0.4
143.97891	0.4
146.59422	0.4
212.17961	0.4
340.53326	0.4
353.22943	100.0
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
55.05515	0.6
60.35554	0.6
61.37686	0.6
62.75197	0.6
64.30576	0.7
85.42999	0.6
133.12250	0.7
151.24893	0.6
309.09662	2.6
325.12582	1.5
326.43060	0.9
331.68713	0.8
352.87451	0.7
353.12161	4.0
353.22964	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23559	0.8
54.59058	0.8
67.05509	1.3
70.44046	1.0
81.07063	1.2
83.08639	1.1
95.08588	2.0
97.25266	1.0
105.07051	0.9
119.08575	0.9
130.07288	0.9
160.31287	1.1
244.18762	1.0
269.91644	1.0
278.25931	0.9
353.22958	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48423	0.8
73.03810	0.8
76.53296	0.9
77.81940	0.9
86.14915	0.9
214.72954	1.0
225.14407	1.1
353.22955	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32339	0.4
59.60353	0.4
61.47225	0.4
61.54359	0.4
64.20855	0.5
82.32642	0.4
83.26907	0.4
83.82192	0.5
109.27382	0.5
190.70789	0.4
214.95999	0.6
217.45467	0.5
277.12320	0.5
353.22961	100.0
376.61966	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81759	1.3
59.48973	1.3
61.91197	1.2
63.82490	1.6
64.54248	1.5
66.16599	1.2
67.05488	3.2
67.51655	1.2
69.07071	35.0
72.04529	2.4
72.08140	8.1
77.61961	1.8
79.05463	1.6
81.06615	2.3
81.07064	50.2
91.05473	1.9
95.08613	14.7
107.08579	2.1
109.10120	6.4
113.10046	2.1
113.10769	39.2
114.09169	100.0
114.10269	4.6
115.08703	17.8
119.08553	1.7
123.99896	1.4
131.11810	7.1
133.10149	1.7
133.96657	1.5
137.13327	1.5
154.12260	3.0
156.11327	45.6
161.40385	1.5
173.13986	41.6
182.15401	25.2
199.18028	3.0
237.09485	1.5
309.13092	5.9
309.26471	82.0
323.10941	1.7
325.10638	1.9
335.23843	2.7
336.25140	2.2
337.12537	3.3
338.13522	2.2
353.10114	8.5
353.16034	12.7
353.25159	74.5
353.28708	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	353.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.7
60.05630	1.3
67.05476	1.2
69.07075	37.1
72.04503	3.7
72.08144	4.8
79.05502	1.8
81.07062	49.0
95.08603	11.2
104.34953	0.8
109.10150	0.9
113.10773	46.6
114.09168	100.0
114.10336	3.4
115.08686	12.9
126.28720	0.9
131.11755	6.3
137.13257	1.3
151.87289	1.0
156.11324	39.7
173.13963	38.2
182.15427	9.9
191.07010	1.2
199.18082	1.2
209.48051	1.0
307.07828	1.2
309.13034	1.1
309.26465	82.4
337.12778	1.7
353.16183	2.4
353.25330	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	353.2683
Annotation	Montanol
Peak:m/z	Relative Intensity
50.96418	2.8
51.43122	2.7
55.05519	7.9
57.07074	7.5
62.05993	2.9
63.48192	2.9
67.05180	4.6
67.05515	85.3
69.07073	7.2
71.08655	2.9
79.05500	43.4
81.07063	100.0
83.08633	12.9
85.06555	4.0
91.05469	6.5
93.07047	63.4
95.08613	87.0
99.08106	4.2
105.07039	16.5
107.08594	48.0
109.10152	39.1
117.07026	7.4
119.08588	7.9
121.10152	41.9
123.11698	7.6
131.08568	25.2
133.10118	17.5
135.11708	37.6
145.10124	17.9
147.11708	14.7
149.13315	26.4
151.11292	3.1
159.11714	12.7
161.13255	4.3
163.14786	21.3
164.17146	3.2
167.51886	3.1
173.13254	16.3
177.16385	3.6
187.14853	6.0
230.55629	4.3
243.21120	35.7
261.22116	83.4
279.23212	6.1
335.25870	25.1
353.26923	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	353.2684
Annotation	Montanol
Peak:m/z	Relative Intensity
55.05519	5.5
57.07067	3.7
60.36928	3.5
66.66646	3.1
67.05504	58.1
69.07057	4.9
74.12866	3.3
76.20071	3.7
79.05495	33.0
81.07062	82.7
91.05474	9.5
93.07048	52.7
95.08612	64.7
96.51051	4.0
105.07044	8.5
106.86929	3.5
107.08582	49.7
109.10165	32.3
117.07027	8.2
119.08598	8.4
121.10143	45.1
123.11707	16.2
131.08589	17.5
133.10144	16.3
135.11688	32.3
137.13231	5.4
145.10112	16.4
147.11629	6.4
149.13264	25.8
159.11668	21.5
161.13248	17.1
163.14848	17.9
173.13206	14.6
177.16591	4.1
233.22742	5.4
243.21072	33.0
261.22113	100.0
335.25806	20.1
353.26886	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	353.2687
Annotation	Montanol
Peak:m/z	Relative Intensity
51.24795	1.2
55.05520	12.7
57.03436	2.6
57.07084	6.7
57.52925	1.1
65.40715	1.5
67.05513	73.3
69.07080	16.7
71.08635	6.3
79.05026	1.8
79.05493	45.1
81.07064	96.2
83.08630	17.0
83.18404	1.3
85.06549	3.6
89.25165	1.4
91.05482	15.1
93.06477	3.0
93.07050	72.9
95.05002	1.9
95.08614	85.4
97.06530	7.8
97.10162	7.3
99.08111	3.1
105.07034	16.8
107.08597	63.5
109.06477	1.5
109.10160	38.3
111.08037	1.7
113.09655	1.9
117.07028	9.3
119.08583	16.8
121.10149	60.1
123.11716	14.3
125.09649	1.8
131.08571	23.5
133.10135	17.6
135.08037	1.7
135.11703	49.5
137.13234	7.7
145.10146	19.2
147.11681	16.2
149.09657	3.0
149.13269	27.3
151.14873	2.2
153.12808	1.8
159.11641	15.0
161.13263	13.1
163.11229	1.6
163.14812	18.4
170.54240	1.6
173.13263	17.2
175.14822	6.9
177.16383	8.4
179.14375	2.1
181.94080	1.6
187.14754	10.8
191.14352	1.7
217.19591	1.9
223.16997	1.9
233.22685	6.2
243.21054	33.2
250.46936	1.6
261.22137	100.0
263.23740	2.0
289.17911	8.2
318.27747	1.9
319.26245	14.5
335.25781	9.9
336.29010	49.5
353.22891	1.6
353.26807	46.8
353.31641	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	353.2685
Annotation	Montanol
Peak:m/z	Relative Intensity
55.05521	5.8
57.03438	5.6
57.07083	3.2
60.67473	2.6
67.05515	68.5
69.07066	14.6
71.04991	2.6
79.05504	27.3
81.07063	95.5
83.05027	2.6
83.08624	5.6
91.05481	13.6
93.07040	54.2
95.08611	80.0
105.07051	13.8
107.08605	31.4
109.10148	45.4
117.07018	6.1
119.08595	15.9
121.10146	41.7
123.11691	29.2
131.08578	16.2
133.10147	17.5
135.11674	32.8
137.13254	10.3
145.10129	13.2
147.11705	11.5
149.13255	23.6
151.14850	3.5
159.11714	12.5
160.71239	3.2
161.13213	12.4
163.14853	13.8
173.13290	14.1
179.14288	2.8
187.14850	3.1
243.21021	28.7
261.22116	100.0
261.24820	4.8
279.23196	4.9
335.25803	19.1
353.26834	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	353.2684
Annotation	Montanol
Peak:m/z	Relative Intensity
53.76041	2.8
55.05511	7.3
60.99303	3.5
67.05511	78.0
69.07077	6.6
74.33724	3.2
75.23775	2.9
79.05502	29.6
81.07065	96.2
83.08614	6.1
85.02809	3.1
85.06579	5.2
85.69119	3.2
89.47231	3.8
91.05466	5.7
93.07042	68.9
95.08614	78.6
105.07034	16.0
107.08596	50.4
109.10157	42.6
112.84859	3.1
116.77593	3.2
119.08575	15.0
121.10155	48.8
123.07864	4.0
123.11694	18.4
131.08554	19.3
133.10097	20.8
135.11731	39.1
137.13286	5.0
145.10135	20.3
147.11702	18.6
148.53566	3.3
149.13272	25.9
159.11713	13.6
161.13243	17.0
163.14784	7.8
164.90536	3.6
173.13258	13.6
177.04286	3.5
177.16304	5.0
187.14801	7.0
238.13200	4.1
243.21008	29.1
261.22116	100.0
353.26868	79.8
379.90823	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	353.2684
Annotation	Montanol
Peak:m/z	Relative Intensity
50.56052	1.9
54.82514	2.5
55.05524	4.4
57.03426	4.0
57.07059	2.4
59.73595	2.2
64.15598	3.2
67.05180	3.5
67.05515	69.3
69.07077	10.4
69.28504	2.3
73.07006	2.4
76.12750	2.3
79.05504	29.4
81.07065	100.0
83.08643	6.3
91.05465	14.3
93.07050	49.6
95.08611	79.5
97.06481	3.2
105.07028	14.4
107.08601	34.5
109.10163	49.9
117.07013	5.8
119.08575	13.7
121.10160	43.5
121.77659	2.7
123.11710	21.5
131.08577	15.9
133.10152	12.0
135.11676	30.4
135.80396	3.2
137.13228	5.8
145.10118	14.4
147.11679	15.7
149.13286	18.8
159.11714	14.3
161.13280	4.6
163.14865	6.0
173.13278	14.3
187.14783	3.7
203.44069	3.0
230.02351	3.4
231.64757	2.7
243.21031	18.2
261.22119	89.5
279.23206	4.8
335.25534	24.1
353.26904	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	353.2684
Annotation	Montanol
Peak:m/z	Relative Intensity
53.21806	2.2
55.05518	11.3
57.03438	3.9
57.07075	2.4
59.48507	1.9
59.48809	2.6
61.40924	2.0
67.05177	4.1
67.05508	77.4
69.07069	11.1
69.84297	2.2
79.05494	35.8
81.07060	89.1
83.08627	5.0
91.05478	9.8
93.07030	58.1
95.08601	78.2
97.10168	3.3
105.07037	16.9
107.08591	39.2
109.10152	45.2
109.49574	3.0
111.08070	3.2
117.07024	4.5
119.08591	19.3
121.10146	46.7
123.11716	30.1
131.08560	19.9
133.10120	16.2
135.11700	42.5
137.13214	4.4
145.10130	17.7
147.11708	11.0
149.13261	34.2
159.11714	16.0
161.13295	10.4
163.14742	17.2
173.13216	15.3
177.16418	3.7
187.14861	9.8
189.79407	2.5
217.42320	2.6
243.21165	28.0
246.39612	2.4
261.22110	100.0
272.01828	2.7
273.64703	2.5
303.47342	2.9
335.25818	11.5
353.26871	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	353.2683
Annotation	Montanol
Peak:m/z	Relative Intensity
55.05514	9.6
57.03442	3.8
57.07077	2.9
59.51117	1.5
67.05514	79.1
69.07067	12.4
79.05506	31.9
81.07066	100.0
82.63914	1.8
83.08631	7.7
85.87737	1.8
91.05487	12.2
93.07050	51.0
95.08612	84.8
97.06564	3.4
97.10170	3.4
99.08105	2.3
105.07035	12.1
107.08616	38.8
109.10162	48.5
111.08050	2.2
117.07029	4.2
119.08569	19.7
121.10161	42.4
121.12647	2.4
123.11723	24.8
126.18391	2.2
128.89250	2.0
131.08566	19.3
133.10156	18.2
135.11714	36.4
137.13275	9.1
145.10147	20.0
147.11696	11.3
149.13245	26.2
151.11105	2.1
159.11758	17.4
161.13232	9.2
163.14812	17.2
168.37917	1.9
173.13251	17.8
175.14807	2.6
177.16434	3.8
187.14838	13.3
191.14273	2.0
201.16367	3.8
243.21071	33.2
261.22116	91.0
265.44043	2.2
265.50388	2.0
278.00516	2.1
279.23077	6.6
335.25922	21.2
353.26846	84.8
371.68546	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	353.2685
Annotation	Montanol
Peak:m/z	Relative Intensity
54.51280	1.6
55.05515	4.9
56.98457	2.0
57.03429	3.0
57.07079	3.6
67.05510	65.2
69.07069	10.4
71.04177	1.8
71.08635	2.5
79.05502	31.3
81.07068	67.5
82.82191	1.7
83.08606	10.5
84.35733	1.9
85.06548	4.0
91.05494	16.2
93.07051	58.8
95.08607	64.1
97.06486	2.9
97.10159	2.5
99.08095	3.0
105.07054	12.7
107.08607	40.3
109.10175	28.3
113.09682	2.6
115.50837	1.8
117.06996	3.2
119.08586	13.0
121.10146	41.3
123.11710	11.4
131.08559	15.3
133.10138	11.4
135.11693	32.6
137.13274	4.0
145.10138	13.9
147.11708	12.5
149.13248	22.4
151.14896	2.3
159.11705	14.6
161.13252	10.1
163.14807	19.6
173.13268	12.3
175.14905	2.9
177.16359	4.2
187.14816	3.6
201.16331	2.3
233.22577	3.2
243.21115	36.2
261.22134	100.0
279.43857	2.1
323.07343	16.2
335.25769	8.6
338.09631	12.6
353.12216	18.1
353.22647	21.6
353.26822	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	353.2684
Annotation	Montanol
Peak:m/z	Relative Intensity
50.14008	1.0
51.14010	1.1
55.05534	10.8
57.03438	9.0
57.07071	6.0
62.01737	1.1
66.80940	1.2
67.05511	77.5
69.07065	15.0
71.04978	2.2
71.08610	2.2
75.04507	2.1
77.68417	1.1
79.05497	30.4
81.07062	100.0
83.08628	10.6
85.06528	2.1
90.08720	1.1
91.05487	10.9
93.07042	53.8
93.07635	1.7
95.04944	2.0
95.08606	87.0
97.06538	4.7
97.10170	7.6
99.08123	2.3
105.07053	15.1
107.08585	40.2
109.06499	1.4
109.10156	52.9
111.08107	1.8
111.11739	1.6
117.07031	9.5
119.08559	13.4
121.06513	3.0
121.10136	41.3
121.79330	1.1
123.11698	27.7
125.09686	1.5
131.08575	20.2
133.10127	12.0
135.11687	32.2
137.13290	9.3
145.10138	17.9
147.11671	12.5
149.13255	23.9
151.14795	2.0
153.92740	1.4
159.11652	16.6
161.13217	11.8
163.14804	15.0
165.12762	1.4
173.13249	19.1
175.14775	4.6
177.16389	6.0
187.14812	9.0
191.14474	1.3
201.16472	2.3
205.15866	1.6
233.22601	2.8
243.21083	22.4
261.19354	3.0
261.22110	82.4
277.98804	1.3
279.23190	4.8
335.25922	15.3
353.26840	71.4
353.30408	4.3
374.51437	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	353.2684
Annotation	Montanol
Peak:m/z	Relative Intensity
55.05513	12.5
57.03431	7.0
57.07070	9.8
64.58695	1.4
67.05508	78.9
69.07076	14.4
71.04990	2.6
71.08639	2.5
75.04471	2.8
77.20883	1.7
79.05501	36.4
81.07063	98.0
83.08614	9.2
85.06549	1.9
90.17976	1.8
91.05476	12.7
93.07045	65.5
95.07996	3.4
95.08606	75.6
97.06529	1.9
97.10179	7.8
99.08076	2.1
105.07058	15.3
107.08595	59.2
109.09438	2.4
109.10162	50.8
111.08069	1.8
117.07005	7.2
117.97992	1.9
119.08560	18.7
121.10139	55.5
123.11694	30.5
131.08578	25.1
133.10153	18.3
135.11690	39.7
137.13278	8.8
145.10138	18.3
147.11678	14.4
147.48375	1.7
149.13252	33.1
159.11638	16.8
161.13240	10.1
163.14806	18.9
173.13271	17.9
175.14810	2.8
177.16370	7.7
187.14871	9.9
201.16367	3.1
205.43448	1.8
243.21129	24.6
261.19357	3.2
261.22128	100.0
276.65082	1.5
279.23175	2.9
335.25610	11.6
353.26837	88.0
353.30780	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	353.2682
Annotation	Montanol
Peak:m/z	Relative Intensity
55.05534	5.8
56.39818	3.4
57.03439	5.5
67.05511	84.3
69.07069	17.7
71.08629	5.2
79.05487	37.2
80.25584	4.0
81.06615	5.5
81.07064	100.0
83.08630	15.3
83.57384	3.4
91.05484	16.2
92.21011	6.3
92.21514	8.6
93.07050	55.3
95.08605	98.0
97.10162	7.9
99.08096	4.0
105.07041	15.3
107.08607	59.3
109.10173	48.6
111.08108	3.8
117.07038	4.9
118.39961	4.0
119.08585	21.1
121.10161	48.9
123.11714	21.9
131.08571	23.9
133.10129	22.6
135.11687	46.6
137.13258	7.3
145.10144	28.8
147.11745	21.9
149.13220	33.7
159.11668	14.6
161.13240	21.6
163.14798	23.1
173.13274	16.4
175.14885	5.0
177.16296	6.7
187.14896	14.6
243.21140	31.7
258.40240	4.6
261.22128	94.0
279.23080	6.9
300.38007	4.2
332.14044	4.2
335.25891	21.3
353.26917	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	353.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	1.5
55.05519	3.0
57.07098	1.9
67.05513	16.7
69.07075	17.6
79.05485	11.0
81.07067	19.4
83.04971	2.5
83.08595	3.5
87.83940	2.0
91.05484	9.3
93.07039	28.8
95.04940	2.7
95.08607	26.0
97.06524	10.4
97.10157	2.3
99.75616	1.7
105.07060	3.0
107.08600	20.9
109.10151	4.3
111.08070	3.3
112.79415	2.0
119.08579	13.5
121.10140	16.3
123.08080	20.7
131.08539	9.1
133.10144	4.3
135.11697	37.5
137.09621	9.6
139.11137	2.8
145.10149	4.2
147.11710	3.7
152.14363	15.4
153.12726	13.2
153.28345	1.9
157.10185	3.2
157.31747	2.3
159.11674	8.4
161.13139	2.7
163.11147	3.6
170.15430	2.7
171.11626	2.7
173.13228	2.4
182.15497	7.3
184.13350	3.7
185.13289	3.2
198.14902	20.9
267.49686	2.1
284.06784	2.1
300.23242	3.9
301.21512	18.6
309.13184	4.7
318.24255	37.8
319.22653	55.9
335.26981	4.4
336.25275	54.3
337.12927	3.3
353.16101	3.5
353.23105	42.3
353.28009	100.0
378.19992	2.0
379.55600	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	353.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	1.9
57.92024	1.4
67.05506	22.5
69.07071	9.5
79.05479	10.0
81.07062	27.9
83.08599	7.5
85.06515	2.1
91.05488	4.0
93.07038	20.9
95.08615	26.1
97.06529	3.1
97.10156	2.7
105.07073	12.0
107.08595	18.7
109.10159	11.4
111.08112	2.2
117.07043	3.8
119.08539	13.5
121.10149	33.0
129.07039	1.7
131.08582	11.0
132.89410	1.7
133.10132	13.9
135.08089	3.5
135.11725	24.5
137.09654	2.5
143.08611	2.8
145.10147	14.9
147.11685	10.8
149.09625	3.6
149.13269	6.9
157.10190	3.1
159.11684	17.6
161.09660	4.2
161.13278	7.9
163.11145	2.9
163.14742	2.1
171.11702	4.1
173.13252	11.6
175.11166	3.8
183.11607	3.6
185.13274	2.5
189.12767	2.6
199.14896	3.5
273.22153	10.4
275.23520	2.2
283.20554	10.5
290.24695	3.9
292.26398	1.9
300.23169	13.5
301.21646	35.2
318.24313	34.5
319.22726	11.1
336.25281	19.7
353.23050	33.4
353.27963	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.4
56.60018	1.6
67.05518	14.1
69.07067	8.7
79.05499	7.9
81.07066	28.8
83.08640	3.2
91.05479	9.4
92.21520	2.7
93.07045	24.5
95.04979	2.2
95.08612	21.8
97.06523	4.4
97.10171	3.4
99.08094	2.5
105.07030	13.3
107.08590	19.3
109.10183	7.7
117.07053	2.8
117.88696	1.8
119.08585	18.3
121.06483	2.6
121.10117	14.5
123.11680	2.1
131.08595	12.3
133.10153	10.8
135.08054	7.3
135.11694	16.7
143.08527	3.5
145.10147	17.5
147.11679	13.7
149.13272	4.4
157.10129	3.3
159.11714	16.0
161.13239	9.2
163.11212	3.7
171.11726	9.6
173.13316	3.7
175.11183	4.5
175.14784	4.1
177.12817	3.5
185.13322	8.7
187.14790	4.2
189.12828	6.9
199.14886	7.9
203.14320	2.5
206.15517	2.2
217.15938	2.3
273.22183	3.6
283.20557	14.3
291.23279	3.5
300.23209	15.1
301.21588	37.4
309.12817	2.0
318.24240	44.1
319.22696	25.5
336.25232	21.4
337.12555	7.0
338.13391	3.4
353.15900	11.8
353.24753	6.5
353.28122	100.0
367.64203	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	353.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88123	0.8
55.05516	2.2
60.84118	1.1
61.25463	0.9
64.27086	1.1
67.05507	5.0
68.03564	0.8
69.07080	5.0
70.16949	1.1
79.05495	2.5
81.07066	11.5
83.08607	1.2
88.97681	1.1
89.47367	1.0
91.05490	4.7
92.21376	1.2
93.07046	6.0
95.08595	16.0
97.10163	1.8
105.07033	11.6
107.08598	14.8
109.10146	16.3
117.07008	1.8
119.08568	18.7
121.10158	10.2
123.11697	5.4
124.16275	1.0
129.07069	1.4
131.08588	5.2
133.10121	14.8
135.11690	7.2
143.08571	1.7
145.10095	12.6
147.11687	74.1
149.13254	7.4
150.81938	0.9
157.10112	8.0
159.11688	39.4
161.13216	19.8
171.11656	10.4
173.13274	17.9
175.14838	12.5
183.11688	2.4
185.13289	5.2
187.14877	11.7
189.16422	6.4
190.10477	1.0
195.11823	1.7
197.13292	4.2
199.14844	6.3
201.16373	4.4
205.15898	1.7
209.13339	1.6
211.14893	5.5
211.48045	1.0
213.16373	6.5
223.14790	1.7
225.16371	4.5
227.17992	4.1
237.69142	1.2
239.17938	4.7
245.19455	1.3
251.18004	1.3
253.19539	4.3
265.12772	1.0
265.19424	1.6
279.21039	1.6
293.22610	4.1
297.22165	2.1
311.23810	2.0
335.27338	21.7
353.15903	3.8
353.24695	12.9
353.28448	100.0
356.45450	1.1
375.75970	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	353.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57996	1.5
53.69668	1.7
55.05514	10.1
57.07076	2.7
62.89787	1.8
67.05512	53.6
69.07066	16.4
71.42993	1.7
74.38615	1.5
75.78853	1.7
79.05495	27.6
81.07064	69.4
83.08617	23.1
90.25668	2.1
91.05466	11.9
93.07052	47.0
95.08607	59.7
97.06515	8.4
97.10183	13.6
105.07047	11.1
107.08601	38.9
108.29484	1.8
109.10171	32.2
111.08086	3.4
111.11676	2.4
117.07063	2.3
119.08566	13.6
121.10148	64.5
123.08089	2.1
123.11717	7.6
131.08568	8.5
133.10158	14.0
135.11705	47.8
137.09630	2.9
137.13245	3.0
145.10110	4.0
147.11710	12.1
149.13263	21.1
153.12759	2.1
159.11687	3.8
161.13254	3.6
163.14790	7.8
173.13275	2.5
177.16350	2.8
187.14807	4.0
243.21001	4.0
260.60114	1.9
261.22098	12.0
301.25244	10.3
318.27899	8.5
319.26340	36.6
335.13049	4.1
336.28958	100.0
353.27246	4.0
353.31598	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	353.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22865	1.6
51.83044	1.6
52.02818	2.0
55.05507	9.2
57.07087	3.9
60.35733	1.6
67.05514	52.6
69.07081	19.6
71.04987	3.1
71.44796	2.1
79.05490	31.3
81.07066	83.2
83.08617	20.6
91.05464	16.3
93.07048	60.8
93.84448	2.1
95.08609	74.1
97.06537	7.8
97.10166	9.3
105.07040	13.0
107.08607	42.4
109.10156	30.3
111.08047	4.7
117.07018	4.9
119.08594	13.0
121.10137	79.4
123.11718	13.7
125.09647	2.7
131.08591	16.4
133.10107	14.5
135.11699	45.0
137.09619	3.2
137.13255	3.7
143.08548	2.4
145.10176	5.2
147.11694	12.0
149.13272	19.5
159.11670	4.5
161.13319	9.9
163.14801	11.3
173.13312	9.0
187.14812	9.7
188.13628	2.2
191.00121	3.6
201.16504	2.9
226.68341	2.3
243.21088	11.0
261.22195	34.7
274.13791	2.2
301.25186	5.2
318.27902	9.6
319.26334	35.7
335.13327	5.2
335.26038	4.4
336.28931	100.0
353.26758	14.3
353.31601	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	354.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23846	0.4
58.64902	0.4
62.06089	2.3
65.03939	2.6
67.05503	0.8
75.43919	0.5
79.05499	0.6
81.07062	0.6
81.34761	0.5
82.47706	0.4
91.05429	0.4
91.22372	0.5
93.03403	3.2
95.04935	0.5
110.03672	7.5
111.04437	4.1
125.05061	1.2
125.05983	29.2
139.29860	0.5
153.05464	30.1
174.05499	8.7
181.04878	0.8
187.06287	0.7
189.04099	0.6
190.04950	3.6
221.69115	0.5
265.07361	2.3
268.06250	0.6
292.06064	2.9
293.06793	1.1
293.21063	0.7
294.07617	1.1
294.24329	2.1
295.04822	1.1
296.05591	2.4
308.05615	1.0
310.07071	45.4
311.08112	0.8
322.07150	1.0
324.05081	2.1
326.10156	1.2
336.25357	3.7
338.06903	0.6
339.07260	0.8
354.09702	100.0
354.27051	3.6
360.00830	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	354.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48403	0.3
55.50719	0.3
58.91486	0.3
62.93218	0.4
70.06609	0.5
71.86186	0.3
72.08150	0.4
74.77876	0.3
83.06094	0.4
85.81858	0.3
86.09692	0.6
93.90977	0.3
98.81065	0.3
110.07108	0.3
131.02551	0.4
145.04953	0.4
250.08640	2.9
266.07907	0.4
278.08118	6.6
280.09708	0.4
294.07562	14.8
295.08395	0.6
308.09164	0.7
308.19684	1.3
310.10687	5.8
322.07162	4.1
336.08975	1.2
339.10703	0.5
354.09702	100.0
354.20160	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	354.097
Annotation	Rugosinone
Peak:m/z	Relative Intensity
51.93613	0.1
53.90376	0.1
55.01891	0.1
55.05783	0.2
62.12429	0.1
67.05488	0.8
69.07071	0.2
74.09832	0.2
79.05471	0.7
80.05807	0.1
81.07063	1.2
83.08634	0.2
84.19739	0.2
88.18683	0.2
93.07013	0.4
95.08589	0.7
98.97594	0.8
102.09163	0.9
105.07006	0.2
107.08576	0.6
108.08939	0.2
114.03384	0.3
116.98595	0.7
121.10115	0.2
133.10161	0.2
136.06186	4.2
136.12009	0.2
149.13255	0.2
162.89796	0.2
172.03917	7.8
190.04985	100.0
218.04471	9.9
219.17415	3.4
230.26822	0.2
262.22598	0.2
271.12073	0.3
274.21451	0.2
276.23209	0.3
294.24283	1.1
313.13419	1.1
336.25394	0.6
354.09692	28.7
354.22961	0.5
354.26550	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	354.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.6
57.03432	0.7
57.14796	0.3
69.03432	2.9
70.06581	0.7
76.55136	0.4
81.03407	0.8
84.08135	0.9
85.02909	3.4
87.04474	0.6
97.02884	1.8
99.04428	0.8
101.02350	1.5
109.02876	0.6
115.07608	3.2
118.06554	0.9
119.03450	3.6
120.08048	0.4
122.05991	0.7
127.03899	1.9
145.04977	0.4
146.06000	6.1
147.04413	0.7
157.08635	0.9
160.07184	2.1
164.07042	0.8
174.05501	100.0
175.09682	0.9
176.07059	0.4
192.06552	27.5
204.55663	0.4
214.20226	0.5
245.09926	0.6
261.09451	0.5
273.09549	1.5
291.10529	2.6
317.88791	0.5
319.10043	0.5
336.12778	0.7
337.11078	2.6
354.11823	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	354.1295
Annotation	Boc-Asn-OPhNO2
Peak:m/z	Relative Intensity
51.21620	0.7
51.38469	0.6
52.91422	0.6
56.05045	63.9
70.06592	4.4
72.04524	9.2
72.08153	1.7
72.50713	0.7
72.92150	0.7
74.06095	1.2
84.04504	0.9
84.08127	3.4
85.06523	0.7
86.09674	1.3
96.40912	0.7
102.05545	1.1
110.07158	4.7
116.07053	1.2
117.03353	1.4
117.06569	1.0
118.05028	5.4
120.08116	1.8
129.10225	0.9
132.04445	5.2
135.07712	5.1
145.02853	35.9
161.05547	0.9
177.05461	100.0
178.05035	3.0
178.08311	0.8
194.08076	2.9
229.09784	0.8
255.13971	0.8
258.61401	0.7
354.12973	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	354.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85710	0.7
57.03403	0.7
62.94295	0.7
67.05510	0.9
74.78992	0.7
79.97236	0.8
87.60746	0.8
89.02180	0.7
178.56447	0.7
190.42363	1.0
262.42957	0.8
293.11005	0.9
294.14777	0.9
295.08337	1.2
296.08987	1.5
308.12643	1.4
310.10699	23.8
322.10745	7.0
322.14386	6.7
323.08081	1.2
323.11502	5.7
323.15027	1.5
324.08682	44.0
324.12271	5.0
338.10138	29.2
338.13861	64.0
339.10953	64.5
339.14700	38.3
354.13284	100.0
354.17084	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	354.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26382	0.2
68.23306	0.3
91.88579	0.3
109.14848	0.4
166.59744	0.3
229.14293	0.3
293.10306	1.9
295.08377	0.5
296.09259	1.9
309.09933	1.0
310.10721	26.8
322.10721	7.1
324.08652	10.9
325.09467	0.4
336.12265	0.4
338.10208	32.0
339.11011	40.2
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	354.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14803	0.4
70.06577	1.6
72.08139	0.8
73.29204	0.4
76.05100	0.9
86.09695	0.6
96.05573	0.6
107.16193	0.4
110.07151	0.6
136.07571	0.5
139.11133	0.4
140.94179	0.4
175.09724	0.4
177.09822	0.5
268.09769	1.0
278.08182	2.3
291.09000	0.5
292.09695	1.8
293.10486	8.0
296.09186	7.9
306.07584	4.5
308.09277	1.0
310.10846	3.0
311.11380	0.6
321.09933	24.3
324.08664	10.1
338.10272	0.5
339.11008	86.6
354.13351	100.0
354.20291	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	354.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34370	0.6
58.06608	0.4
62.92262	0.5
101.19906	0.5
104.90587	0.5
107.04966	0.6
135.04401	0.7
139.11124	0.7
149.06001	8.3
164.52269	0.5
165.05463	3.3
175.03860	0.7
178.08649	0.7
187.06357	0.6
188.07083	12.6
189.07845	16.4
195.08002	0.6
206.08160	1.3
207.30339	0.6
213.04356	1.1
235.07571	0.7
247.07491	2.4
265.08414	2.3
275.07040	5.2
310.10703	12.2
322.10748	5.4
324.08673	24.6
331.14209	0.9
336.12363	1.9
338.10190	15.5
338.13901	2.6
339.06897	1.0
339.11011	27.9
339.14630	2.1
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	354.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
61.33830	0.3
62.28448	0.3
73.79388	0.3
77.80091	0.3
78.48486	0.3
103.90444	0.3
185.72461	0.3
216.08871	0.4
245.78123	0.3
293.10495	1.3
295.08313	0.6
296.09229	1.3
309.09952	0.6
310.10736	24.3
320.09274	0.3
321.09949	0.5
322.10779	6.9
324.08667	10.7
325.09183	0.7
336.12344	0.7
338.05884	0.3
338.10217	30.5
339.11026	39.7
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	354.1333
Annotation	Parfumine
Peak:m/z	Relative Intensity
52.81642	0.4
56.14651	0.4
56.24392	0.4
57.41039	0.4
64.45238	0.4
69.03428	2.0
85.02900	6.7
87.00818	1.2
93.56835	0.5
97.02895	0.9
99.04462	0.7
100.50549	0.5
105.01861	5.1
109.02906	1.2
127.03906	5.4
134.64305	0.5
145.04922	2.2
159.02872	0.7
160.60193	0.5
229.98482	0.5
231.04935	1.1
243.91763	0.6
279.21823	0.7
293.10437	0.6
295.08307	0.7
310.10709	22.8
322.10764	6.7
324.08658	12.0
338.10214	31.7
339.06912	1.4
339.11014	42.1
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	354.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
71.19012	0.3
120.46351	0.3
132.42921	0.3
146.45766	0.3
214.13591	0.3
233.51302	0.4
293.10516	0.8
293.21310	0.4
295.08401	0.6
296.09183	2.3
309.09937	0.5
310.10712	25.2
322.10760	5.6
323.07800	0.4
324.08643	12.1
325.09314	0.6
336.93857	0.4
338.10217	32.8
339.11008	46.1
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	Unknow
Peak:m/z	Relative Intensity
50.58284	0.6
50.84632	0.7
56.05038	2.8
58.06609	0.7
60.04519	0.7
70.06578	1.0
72.08154	3.3
74.06068	1.5
74.43246	0.6
76.05126	1.1
84.08155	2.8
86.09714	0.9
104.05325	1.2
115.53903	0.7
116.08226	4.4
120.08101	4.8
133.81973	0.7
146.49814	0.7
166.08574	1.2
177.10043	0.7
209.11877	0.9
213.07994	0.9
214.08614	3.8
221.09563	1.0
223.10823	0.9
239.09372	1.0
244.32941	0.8
250.08556	1.1
266.08130	4.7
280.09869	1.1
292.09854	0.8
293.10391	2.7
294.07605	12.7
296.09161	1.2
307.08362	0.9
308.09183	11.1
308.12927	4.9
309.10037	0.9
310.10757	12.5
311.11508	3.3
321.09705	1.0
322.10791	13.5
323.11493	11.8
324.08884	5.0
324.12137	1.0
326.10181	2.7
326.13885	1.6
336.12262	15.3
337.13101	11.5
338.10178	12.0
339.07355	1.3
339.10999	15.5
354.09592	16.5
354.13367	100.0
354.20441	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	354.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32582	0.4
58.38450	0.4
59.93439	0.4
60.58675	0.4
61.03732	0.4
67.17806	0.4
87.32872	0.5
119.04990	0.5
142.43401	0.5
149.05975	9.6
165.05527	4.2
175.03850	0.9
178.08591	0.5
188.07072	20.0
189.06422	0.7
189.07855	20.8
190.08707	2.5
195.08017	0.5
206.08099	4.0
235.07365	0.7
247.07532	1.0
253.08708	0.6
265.08685	1.0
267.06625	0.7
275.07095	4.1
295.09497	1.0
310.10712	8.6
321.09769	1.0
322.10733	2.0
322.14410	1.9
323.09076	0.6
323.14890	0.6
324.08667	5.7
324.12424	3.7
332.47296	0.6
334.10730	0.5
336.12296	2.4
338.10217	10.5
338.13937	6.2
339.10983	13.5
339.14691	3.5
354.13339	100.0
354.17047	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	354.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14803	0.4
70.06577	1.6
72.08139	0.8
73.29204	0.4
76.05100	0.9
86.09695	0.6
96.05573	0.6
107.16193	0.4
110.07151	0.6
136.07571	0.5
139.11133	0.4
140.94179	0.4
175.09724	0.4
177.09822	0.5
268.09769	1.0
278.08182	2.3
291.09000	0.5
292.09695	1.8
293.10486	8.0
296.09186	7.9
306.07584	4.5
308.09277	1.0
310.10846	3.0
311.11380	0.6
321.09933	24.3
324.08664	10.1
338.10272	0.5
339.11008	86.6
354.13351	100.0
354.20291	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	354.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77867	0.4
61.98878	0.4
62.54046	0.4
80.08402	0.4
87.04009	0.5
92.21015	0.6
93.48412	0.5
206.43141	0.5
263.23013	0.5
293.13004	0.8
294.10535	0.6
295.11728	0.9
296.11938	1.1
308.12662	2.0
309.13168	5.3
310.13428	27.6
310.16992	1.1
322.13330	5.4
323.10965	3.0
324.11356	16.8
337.12622	3.5
338.12930	49.1
339.13663	35.4
354.16022	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	354.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.17995	0.4
59.33735	0.3
59.63667	0.4
69.30869	0.4
72.17046	0.4
77.80235	0.4
82.14831	0.4
91.99277	0.4
92.21261	1.7
125.07287	0.4
245.62628	0.5
272.55615	0.4
281.77567	0.4
293.13058	0.7
294.10529	0.5
295.11285	0.7
296.11865	0.7
308.12747	1.7
309.13016	5.4
310.13406	25.0
310.17032	0.9
317.17459	0.5
322.13333	6.5
323.10992	2.8
324.11316	13.2
337.12653	3.3
338.12915	47.8
339.13672	32.1
339.17813	0.9
354.16034	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	354.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23449	0.5
58.41163	0.6
61.22818	0.7
65.61783	0.6
84.45300	0.7
92.44201	0.8
120.41296	0.6
191.73613	0.7
212.94136	0.7
218.06450	0.7
294.14838	2.7
295.08252	1.6
296.09018	0.8
307.08307	0.8
308.12790	1.0
310.10760	7.8
310.14075	1.1
322.10767	2.5
322.14386	7.7
323.11569	7.3
323.15094	2.3
324.08636	14.5
324.12323	8.9
338.10178	13.0
338.13828	100.0
339.10916	31.5
339.14648	53.8
352.15363	1.5
354.13199	40.3
354.17004	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	354.17
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50506	0.7
61.89398	0.6
69.37543	0.6
90.57195	0.7
91.05528	0.7
97.10181	0.8
102.92587	0.6
109.10188	1.2
125.09682	1.2
129.67432	0.7
162.92595	0.8
173.11794	0.8
190.53136	0.8
229.14316	3.0
294.14819	3.4
296.09277	1.1
308.09311	0.8
308.12756	1.7
310.10733	10.5
310.14377	2.5
322.10721	3.5
322.14398	9.5
323.11548	9.4
323.15149	3.1
324.08618	22.0
324.12320	9.2
338.10184	11.2
338.13821	95.9
339.10901	24.1
339.14655	59.7
354.13205	45.6
354.17014	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	354.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08328	0.6
53.03951	1.2
53.42162	0.6
55.01874	4.1
57.03441	2.9
58.22385	0.7
61.02927	3.6
62.56822	0.6
68.99793	0.8
69.03433	26.7
71.04985	3.6
73.02911	7.1
81.03418	14.2
85.02907	100.0
86.10900	0.7
87.00829	34.6
91.03940	1.6
95.06087	1.6
97.02892	30.8
99.04456	14.6
103.03944	1.0
105.01868	64.1
109.02881	26.5
112.08734	0.7
120.08161	0.8
127.03908	73.9
129.01840	4.4
145.04958	27.8
147.02968	1.1
147.04385	1.3
148.04784	1.2
152.20435	0.8
159.02890	15.5
163.05890	0.9
171.02826	1.0
177.05466	0.9
189.03931	1.4
192.10220	3.6
193.10606	5.9
213.03963	1.6
231.04973	24.2
249.06003	14.1
304.13669	2.8
307.20108	2.9
319.13925	3.4
339.11044	1.1
346.09238	0.9
354.12738	4.8
354.17532	5.9
354.23691	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	354.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27333	1.0
53.03951	1.7
55.01876	2.3
55.51785	1.0
56.64160	1.1
57.03439	2.1
60.01749	1.2
60.56553	1.3
61.02916	2.4
63.40824	1.2
64.59691	1.1
69.03434	34.8
71.04999	10.1
73.02923	2.9
81.03422	21.5
84.08143	1.5
85.02906	95.7
86.09697	2.1
87.00829	39.2
87.04467	2.4
91.46128	1.3
97.02891	51.5
99.04460	27.8
105.01869	75.3
109.02882	28.3
115.03989	1.4
120.08085	2.6
127.03914	100.0
129.10222	1.4
145.04958	40.1
147.02922	1.7
157.12163	1.4
159.02895	7.3
166.63805	1.2
180.51074	1.3
213.03932	5.3
231.04979	41.6
237.13647	1.5
243.74271	1.5
249.06026	35.3
249.08368	2.0
278.08044	3.0
294.07434	9.0
310.10745	2.7
313.07864	2.6
313.61310	1.5
322.07047	1.5
354.09695	58.7
354.17126	1.9
378.02664	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	354.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	2.9
55.01877	4.9
57.33089	2.8
61.02930	3.2
69.03429	25.8
71.05003	4.4
74.97404	2.8
76.14279	2.8
81.03427	15.0
85.02905	100.0
85.03377	5.8
86.37169	2.8
87.00834	39.0
97.02888	23.7
99.04465	15.5
102.29142	2.8
105.01863	76.5
106.78854	2.4
109.02855	26.1
111.79936	3.1
124.27052	2.8
127.03894	66.6
141.10246	2.9
145.04964	31.0
159.02869	17.5
180.12099	3.3
218.11678	2.9
231.04916	22.2
249.06039	17.6
339.10995	3.5
354.12997	16.5
354.17270	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	354.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
60.18426	0.4
63.85443	0.4
70.06587	3.0
72.08160	8.9
74.06075	2.4
83.06097	3.2
84.04509	0.5
84.08138	1.1
86.09705	1.8
93.04530	2.4
95.06091	1.1
100.07584	0.5
110.07168	100.0
112.08736	0.6
120.08094	3.6
121.04005	0.5
129.10236	0.7
136.07591	1.8
137.24786	0.4
138.06645	6.6
152.05582	0.5
164.11832	24.7
166.06111	0.5
173.09163	0.5
182.08253	0.6
192.11497	3.6
209.13972	29.3
217.15471	1.7
237.13472	23.4
239.30531	0.5
249.12408	2.2
255.14635	1.0
309.92627	0.5
354.21387	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	354.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53358	0.5
72.85149	0.6
124.43201	0.7
189.63391	0.6
198.14877	0.8
294.24106	0.9
326.10095	2.5
354.09451	1.5
354.23096	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.233
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23898	0.5
55.09111	0.4
55.51509	0.4
55.91188	0.4
62.17629	0.5
67.05476	0.5
92.21053	0.6
93.07007	0.7
130.54408	0.5
160.57619	0.5
177.12749	0.6
198.14764	0.7
294.24185	1.3
325.72421	0.5
326.10095	0.9
347.18137	0.5
354.23126	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	354.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	4.0
55.05509	4.8
57.07064	3.4
62.06095	78.7
65.89702	3.5
66.40644	3.1
67.05501	17.5
69.07054	8.1
71.08630	7.7
79.05494	6.7
81.07070	22.4
86.55299	3.1
91.05453	4.9
93.07046	5.6
95.08582	7.9
105.07012	5.2
105.22141	3.4
107.08596	6.3
107.75274	3.0
108.08995	3.2
109.10146	4.1
116.21881	3.9
121.10159	6.6
123.08038	4.2
124.11232	5.7
125.09570	5.1
131.08473	3.7
132.41882	3.5
135.11708	6.9
162.01299	4.0
163.11252	3.9
167.47501	4.0
194.15390	15.8
222.14871	31.0
225.31117	4.0
240.15991	32.0
264.69821	3.3
275.20023	4.2
277.34225	3.5
293.20984	6.8
294.24432	6.0
318.24039	25.2
319.22809	4.7
336.25296	83.9
354.23615	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	354.2404
Annotation	PROADIFEN
Peak:m/z	Relative Intensity
52.41645	1.2
62.74220	1.3
65.56423	1.3
67.05505	1.5
68.82430	1.5
76.67664	1.3
79.78364	1.3
80.99129	1.3
81.07027	2.0
86.21497	1.5
95.08607	1.6
107.08628	3.2
108.08929	1.8
133.10170	1.8
140.04033	1.6
161.16090	1.5
169.15952	1.8
354.24017	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	354.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86578	0.5
66.22060	0.5
70.76608	0.5
94.27320	0.6
120.89054	0.5
183.60855	0.6
185.37939	0.5
215.96678	0.5
241.80638	0.5
281.48203	0.6
354.26141	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89383	0.4
54.38493	0.5
61.62618	0.4
62.36786	0.5
68.67244	0.5
85.81271	0.5
100.42742	0.5
108.51413	0.5
118.13698	0.6
122.00275	0.5
151.19214	0.5
159.70801	0.5
205.83081	0.5
254.17799	0.6
354.09094	1.7
354.26279	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	354.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07092	0.6
67.05492	0.5
78.77261	0.5
81.07049	1.3
83.63022	0.5
93.07040	0.8
94.07378	0.6
95.08559	0.8
109.10065	0.7
117.67064	0.5
122.10479	0.6
122.88078	0.6
125.52674	0.7
131.08470	0.6
179.14307	0.5
237.14343	0.5
241.19749	0.5
261.37787	0.6
294.24438	0.6
302.21872	1.2
319.24573	2.6
320.22916	0.9
337.25674	0.6
341.01724	0.6
354.26062	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	354.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80310	0.4
54.04831	0.4
63.13767	0.4
93.32238	0.5
96.36923	0.6
104.73104	0.4
217.88142	0.5
241.67705	0.6
276.23303	0.6
294.24277	2.5
336.25668	0.7
354.26151	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74710	0.4
56.26034	0.3
59.53111	0.4
63.47254	0.4
66.46716	0.4
67.46127	0.4
71.78986	0.4
81.07072	0.6
87.46645	0.6
98.06062	6.8
102.87562	0.4
114.57214	0.4
166.25494	0.5
203.74870	0.5
225.16759	0.6
226.17119	0.7
236.16447	1.0
254.17491	6.3
336.08777	0.7
336.21890	0.6
336.74005	0.5
345.21826	0.6
354.26172	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47179	0.4
54.37426	0.5
54.99355	0.5
59.05003	0.8
60.54460	0.5
81.07047	0.6
83.08602	0.6
93.06995	0.7
95.08607	0.8
110.49169	0.6
167.06213	0.6
181.21594	0.6
196.07616	0.5
245.22549	0.7
354.26151	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	5.9
57.07096	1.7
57.37094	1.2
60.58423	1.1
62.06100	67.6
62.06423	2.2
67.05511	11.3
69.06183	1.2
69.07069	7.4
71.08634	13.2
72.04499	1.2
76.05138	2.4
79.05502	7.7
79.64100	1.2
81.07063	13.7
82.07413	1.7
83.08648	2.7
83.69425	1.6
85.06562	1.5
91.05471	1.5
93.07056	8.1
94.07439	1.9
94.08032	1.2
95.08605	11.2
96.08951	1.8
97.10162	2.8
99.08123	5.3
102.79768	1.3
105.07038	2.5
107.08586	7.4
109.10152	2.3
113.05959	1.5
119.08566	2.5
121.10104	2.9
123.11677	1.9
124.11256	1.9
125.09657	1.3
135.11707	2.4
145.10095	1.6
145.42149	1.4
151.11215	1.9
196.13371	10.0
214.14507	4.6
238.18027	5.4
256.19113	5.1
256.26300	1.4
262.22534	2.6
275.20172	6.7
276.23203	1.6
292.23010	1.8
293.21054	23.4
294.24255	7.9
318.24194	8.9
322.24643	4.8
336.25333	100.0
337.23868	2.2
350.83340	1.4
354.26779	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	354.2635
Annotation	Methyl tumonoate A
Peak:m/z	Relative Intensity
57.03442	3.6
59.18872	1.5
62.06095	100.0
67.05507	9.2
69.07054	4.1
71.04992	4.1
74.04574	1.5
79.05483	8.0
80.78658	1.6
81.07049	10.8
81.23755	1.8
83.08627	3.8
85.06528	1.7
91.05469	3.7
91.54960	1.8
93.07024	14.1
95.04932	1.8
95.08593	8.9
97.06537	2.0
98.06112	2.2
105.07059	2.9
107.08591	12.3
109.10180	6.9
111.08075	7.5
119.08602	7.4
121.10132	11.9
125.09611	2.0
131.08537	2.8
133.10109	3.9
135.11725	3.8
138.12787	9.9
145.10120	8.7
147.11722	3.6
159.11717	2.2
161.13179	2.6
173.13174	2.8
174.12775	1.8
179.14264	2.4
196.13431	2.5
198.14961	1.8
210.14917	16.3
228.15965	11.2
257.18921	3.3
266.21094	7.1
275.20078	10.1
318.24231	16.7
336.25284	84.0
337.23773	2.2
354.22525	2.9
354.26450	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	354.272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	1.7
55.05507	8.3
57.03432	7.7
57.07074	2.7
59.05009	1.5
59.06146	1.4
62.99347	1.5
67.05511	20.3
67.27548	1.2
68.05833	6.7
69.07077	9.7
70.41544	1.3
71.08633	35.7
72.08974	12.7
79.05492	7.9
80.05792	2.4
81.07061	32.9
82.07387	8.8
83.08620	8.2
91.05471	5.6
92.05819	1.7
93.07066	12.9
94.07360	3.1
95.08599	20.1
96.08928	7.6
97.10173	5.7
99.08099	22.4
100.08425	7.2
105.07030	5.6
106.07455	1.4
107.08605	10.9
108.08924	1.8
109.10165	11.1
110.10512	1.5
119.08578	2.8
121.10121	5.1
122.10475	2.6
123.11697	2.6
124.12063	1.6
125.09635	2.3
127.56045	1.4
131.08517	2.3
133.10104	1.9
134.10403	1.3
135.11682	2.4
136.12047	2.8
138.12749	1.8
145.10040	2.0
147.11714	2.9
148.12029	6.8
149.13263	1.8
150.13655	1.3
156.50650	1.4
163.14793	2.2
164.15207	2.6
166.13194	2.1
173.11667	1.7
175.46748	1.4
239.30537	1.5
244.21371	3.0
262.22470	8.8
279.23199	2.8
280.23535	13.8
354.27161	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07088	9.9
61.99954	3.5
64.73206	3.9
67.05513	53.4
68.05842	19.2
69.07057	8.7
71.08638	10.7
72.08977	4.1
79.05495	34.5
80.05848	8.7
81.07071	63.7
81.09721	3.8
82.07396	31.1
85.06561	4.5
91.05474	17.9
92.05797	7.9
93.07042	48.1
94.07372	23.5
95.08604	54.1
96.08931	28.9
99.08089	6.6
106.07359	7.2
107.08596	32.5
108.08881	15.2
109.10173	16.7
110.10487	7.1
117.07050	5.4
119.08563	17.1
120.08882	5.2
121.10150	21.5
122.10462	23.3
131.08618	7.1
132.08936	5.5
133.10078	8.4
134.10432	8.3
135.11673	23.3
136.12038	22.0
146.10449	9.5
147.11641	5.1
148.11986	5.3
149.13277	10.2
150.13608	9.6
161.75392	4.3
162.13643	5.1
163.14774	5.3
164.15199	10.4
173.13313	8.2
174.13602	8.2
234.23042	5.5
244.21310	40.1
261.22101	9.2
262.22476	100.0
280.23203	8.0
290.67694	4.6
336.26215	7.6
354.27036	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	354.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22430	2.1
55.05504	5.1
55.81842	2.6
57.07082	6.0
58.63900	2.5
59.06123	21.6
67.05171	4.9
67.05508	69.0
68.05841	18.4
69.07058	13.4
70.07404	3.4
70.33633	2.7
71.08629	5.9
76.41738	2.6
79.05494	44.2
80.05821	12.5
81.07061	73.8
82.07378	29.1
83.08616	9.8
85.06547	3.2
91.05472	15.0
92.05827	6.2
93.06491	3.4
93.07039	55.9
94.07365	28.2
95.08618	60.1
95.77841	2.7
96.08954	27.3
97.06531	2.9
97.10176	3.4
105.07003	10.9
106.07343	5.9
107.08595	37.0
108.08933	21.4
109.10149	25.5
110.10502	15.9
117.07041	4.1
118.07328	3.5
118.97048	2.6
119.08602	10.1
120.08892	3.9
121.10155	40.6
122.10442	27.3
123.11671	6.4
124.12035	5.0
131.08568	21.3
132.08888	15.7
133.10095	6.5
134.10449	6.3
135.11710	24.7
136.12068	18.9
145.10101	13.7
146.10481	14.6
147.11707	3.0
148.11983	6.0
149.13240	14.8
150.13583	16.9
152.15067	2.7
152.19508	2.8
160.11984	10.7
161.13202	4.5
162.13586	5.8
163.14812	14.0
164.15172	14.4
173.13281	10.6
174.13550	10.8
176.15088	3.7
178.16742	4.3
180.51543	2.6
187.14780	6.5
188.15169	6.2
198.17540	2.7
234.22951	3.7
243.20988	4.6
244.21359	42.1
261.22134	18.7
262.22449	100.0
285.71515	3.4
336.26126	14.8
354.27063	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	354.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22430	2.1
55.05504	5.1
55.81842	2.6
57.07082	6.0
58.63900	2.5
59.06123	21.6
67.05171	4.9
67.05508	69.0
68.05841	18.4
69.07058	13.4
70.07404	3.4
70.33633	2.7
71.08629	5.9
76.41738	2.6
79.05494	44.2
80.05821	12.5
81.07061	73.8
82.07378	29.1
83.08616	9.8
85.06547	3.2
91.05472	15.0
92.05827	6.2
93.06491	3.4
93.07039	55.9
94.07365	28.2
95.08618	60.1
95.77841	2.7
96.08954	27.3
97.06531	2.9
97.10176	3.4
105.07003	10.9
106.07343	5.9
107.08595	37.0
108.08933	21.4
109.10149	25.5
110.10502	15.9
117.07041	4.1
118.07328	3.5
118.97048	2.6
119.08602	10.1
120.08892	3.9
121.10155	40.6
122.10442	27.3
123.11671	6.4
124.12035	5.0
131.08568	21.3
132.08888	15.7
133.10095	6.5
134.10449	6.3
135.11710	24.7
136.12068	18.9
145.10101	13.7
146.10481	14.6
147.11707	3.0
148.11983	6.0
149.13240	14.8
150.13583	16.9
152.15067	2.7
152.19508	2.8
160.11984	10.7
161.13202	4.5
162.13586	5.8
163.14812	14.0
164.15172	14.4
173.13281	10.6
174.13550	10.8
176.15088	3.7
178.16742	4.3
180.51543	2.6
187.14780	6.5
188.15169	6.2
198.17540	2.7
234.22951	3.7
243.20988	4.6
244.21359	42.1
261.22134	18.7
262.22449	100.0
285.71515	3.4
336.26126	14.8
354.27063	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	354.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31562	1.9
55.01861	1.9
55.67509	1.8
57.07076	5.4
59.02122	1.7
59.11946	1.8
59.20826	2.0
59.70618	1.7
61.09241	1.9
67.05511	51.8
68.05844	16.5
69.07064	5.1
71.08643	2.4
76.07648	1.8
79.05499	24.1
80.05832	5.0
81.07063	50.6
82.07389	24.9
83.08631	3.5
83.49935	2.0
85.06519	2.5
86.19826	2.0
88.32169	2.1
91.05469	10.0
92.05810	3.0
92.20943	2.8
93.07049	37.5
94.07375	21.9
95.08616	43.8
96.08918	17.1
97.10204	2.7
99.08101	3.1
103.08246	2.0
105.07035	9.9
106.07370	4.7
107.08606	25.2
108.08911	15.9
109.10147	21.0
110.10504	10.6
117.07056	3.2
117.74800	2.1
119.08581	10.0
120.08914	3.0
121.10153	25.5
122.10458	14.4
123.11681	9.0
124.12075	2.8
131.08597	11.4
132.08896	11.1
133.10193	2.7
135.11713	19.3
136.12029	12.1
145.10127	10.0
146.10464	5.6
147.11668	3.9
149.13245	10.7
150.13588	12.7
159.11662	3.7
160.12068	5.0
162.13519	4.1
163.14890	2.8
164.15178	10.2
173.13222	4.3
174.13571	11.1
178.16745	5.4
188.15221	4.2
205.15991	2.5
228.88663	2.3
234.22954	4.4
243.21037	3.9
244.21376	27.9
261.22125	15.6
262.22455	100.0
336.26215	10.6
354.27234	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	354.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	6.2
57.07073	3.4
60.04245	1.1
60.04533	22.5
67.05511	6.1
69.07075	11.6
71.08630	0.9
79.05495	0.9
81.07055	11.0
81.71369	0.6
83.08632	12.6
84.31407	0.7
87.40601	0.7
91.05504	1.5
93.07039	3.0
93.38316	0.7
95.08616	9.8
97.06496	1.0
97.10171	8.3
99.08074	0.8
105.06996	1.0
107.08598	1.6
109.10172	8.8
111.08094	0.9
111.11737	1.8
116.42977	0.7
119.08595	2.7
121.10151	2.8
123.11738	3.3
133.10109	5.8
135.11777	1.2
137.09595	2.9
139.11124	1.1
142.15913	10.4
147.11703	4.0
149.13258	1.0
151.11229	1.0
154.12270	6.1
161.13190	1.1
165.12743	0.9
165.16454	1.0
175.14862	0.9
186.14908	4.5
245.22690	1.5
247.83670	0.9
263.23743	1.4
280.26331	8.5
312.28964	18.1
322.27304	0.8
354.30020	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55097	4.7
51.08921	5.4
51.10955	4.7
55.05514	5.2
61.56874	5.4
67.05503	35.5
69.07067	26.3
79.05488	28.0
81.07061	33.2
83.08627	8.9
93.07026	29.6
95.04961	8.5
95.08614	9.5
97.10156	9.4
107.08613	25.7
109.10173	9.1
115.89762	6.1
121.10061	8.3
125.09612	13.3
133.10135	9.5
135.11676	6.2
145.21570	6.0
149.13191	8.9
151.11185	29.0
161.13139	8.5
174.56654	5.9
183.00928	6.3
187.50494	6.6
203.12770	12.0
277.21609	92.9
285.61316	7.3
309.24207	100.0
354.33539	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	354.3364
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
50.06628	3.2
55.05518	46.6
57.07087	37.8
58.06612	3.5
63.46577	2.9
65.80521	3.0
67.05513	34.9
69.07076	90.3
71.08639	34.6
76.56968	3.6
79.05460	3.8
81.07066	74.8
83.08623	86.1
85.10185	6.9
93.07042	24.2
95.08612	78.3
97.06487	4.2
97.10171	80.7
105.07031	5.9
107.08585	19.2
109.10150	40.9
111.11755	29.2
114.09190	4.5
119.08565	13.3
121.10147	16.5
123.11699	21.0
125.13288	5.0
133.10126	8.8
135.11659	5.3
147.11696	15.3
161.13258	9.1
208.54805	3.8
301.28931	4.0
319.29984	42.2
336.32700	37.3
337.30978	19.0
354.26620	7.1
354.30179	5.3
354.33817	100.0
355.32083	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	354.3362
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
55.05518	24.1
57.07081	32.9
59.55471	1.6
67.05504	21.3
68.22380	1.6
69.07069	62.1
71.08626	30.2
72.08148	2.2
73.35390	1.6
79.05465	2.6
81.07061	52.6
83.08626	48.7
85.10176	15.0
88.07616	2.7
91.05464	3.0
91.98169	1.7
93.07043	11.6
95.08601	46.4
96.30298	1.8
97.06548	3.4
97.10165	48.6
97.29661	1.8
103.23051	1.9
105.07031	1.8
107.08572	8.5
109.10160	22.1
111.08079	2.6
111.11716	18.2
114.09145	3.1
119.08602	4.4
121.10128	11.3
123.11739	8.8
125.09601	3.6
125.13253	8.5
133.10132	10.9
135.11740	3.9
137.13248	3.3
141.12752	2.3
147.11716	8.7
149.13261	7.1
155.14325	2.4
161.13243	4.6
163.14848	2.6
175.14738	2.1
177.16473	2.1
179.14310	2.2
193.15833	2.0
212.35992	2.2
236.16272	2.1
301.28848	3.4
316.09402	2.2
319.29901	22.5
336.32663	16.4
337.30984	10.2
354.33664	100.0
354.38025	3.3
355.32019	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	354.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39466	1.3
55.88279	1.2
57.07096	1.3
60.35230	1.3
60.46924	1.2
69.47456	1.3
71.08639	1.8
72.27892	1.6
79.63717	1.2
81.95078	1.3
92.21004	2.1
102.09155	2.4
284.29434	30.8
354.37317	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	355.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98977	0.1
56.02585	0.1
56.41922	0.1
65.34554	0.2
85.02895	0.3
98.06010	0.3
104.86912	0.2
137.05957	0.3
193.04968	100.0
201.05490	0.8
271.42935	0.2
355.10080	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	355.15
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	2.4
57.05372	0.7
67.05513	0.6
72.04514	0.4
82.06596	3.7
98.06042	0.5
110.06044	16.5
112.45486	0.4
112.47209	0.3
126.05508	4.8
128.07082	1.7
136.07584	14.9
138.05501	2.7
145.02876	0.6
147.50081	0.4
152.07079	2.1
163.07565	0.4
164.07059	100.0
166.04985	0.9
177.05495	1.8
178.05896	2.7
182.08130	55.5
184.05878	0.4
205.08499	0.6
227.17912	0.4
230.08081	0.5
255.11319	0.5
256.09570	0.7
259.10815	1.6
260.09073	0.5
274.10602	0.4
301.11838	0.5
302.10156	1.4
319.12769	2.6
337.14093	3.8
355.14413	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	355.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14064	2.2
67.05508	2.8
67.06689	1.8
79.05517	2.0
81.07066	3.6
83.08605	2.4
88.47453	1.9
91.05471	3.2
91.88326	1.9
92.18375	1.9
95.08642	2.8
98.97584	3.2
105.07042	4.6
107.08523	2.3
125.09668	2.3
129.07033	25.6
131.08574	4.0
133.06488	12.1
135.11653	2.6
136.05191	2.6
137.06001	3.2
151.07486	2.9
155.04936	2.4
159.08044	27.4
161.05949	19.8
166.06306	16.4
167.07076	4.6
169.08556	2.9
175.07719	2.1
181.08582	35.2
187.07544	58.4
210.77904	2.0
233.09592	2.4
247.07321	2.3
249.09109	11.1
261.09250	2.3
263.10532	4.7
264.11407	9.3
265.08636	4.4
277.08652	12.0
279.10388	2.7
281.11700	3.3
291.10129	7.3
292.11026	17.3
293.08179	9.2
293.11728	13.0
295.13242	18.4
297.11411	3.0
307.13239	2.4
308.10397	5.1
309.11075	30.1
311.07462	4.0
321.06195	2.9
323.12717	33.4
324.13663	27.1
325.10696	11.2
337.24619	2.2
340.07596	3.7
340.13120	4.9
355.10333	11.3
355.15323	100.0
355.26111	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	355.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05046	26.3
56.64937	1.2
60.05650	1.6
70.06590	6.1
72.08155	2.5
73.50608	1.3
74.02437	2.5
74.06090	14.7
79.05507	2.8
80.05045	1.4
81.07075	1.4
84.08150	6.4
85.49915	1.4
86.09722	2.8
95.06115	3.4
96.05606	3.0
98.07171	1.6
102.05553	40.1
102.06197	2.7
108.08112	1.8
110.07173	70.7
111.07251	2.2
111.07955	45.8
112.08737	1.4
114.80767	1.4
116.07094	5.9
116.08224	6.2
117.07439	2.7
118.06536	2.3
120.08096	7.1
121.06466	2.0
121.08435	1.9
122.07175	12.4
123.07961	7.4
124.05086	2.2
124.08714	9.7
124.11230	7.1
125.09563	1.6
126.06643	2.1
129.10255	2.0
135.04451	6.6
136.08681	6.2
137.17354	1.7
140.04688	1.4
145.02829	7.0
150.10297	1.6
150.12781	1.6
152.10741	1.6
158.15697	1.5
162.10368	1.7
163.03896	81.5
167.09091	1.8
178.14684	3.5
180.14969	6.3
189.08781	3.4
190.13416	3.5
191.14197	7.2
192.14952	14.5
202.13377	1.5
206.14189	15.0
207.14963	10.5
208.14487	3.0
218.16534	2.6
219.13647	2.0
220.14427	24.0
222.15994	7.9
225.16061	7.2
229.15512	2.0
236.13940	24.1
238.15532	56.3
239.16289	8.9
240.17072	2.9
246.16112	2.9
250.11964	1.8
254.14951	15.9
263.10324	2.1
264.17050	10.7
309.19211	7.5
311.20731	16.4
338.16962	2.1
355.04868	1.8
355.16144	4.5
355.19772	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36768	0.8
57.07081	6.3
60.50027	0.9
88.95130	1.2
107.08571	1.4
119.08585	5.6
121.06514	21.9
135.08086	1.9
137.09622	6.6
145.71132	1.1
149.13263	2.1
161.09622	1.6
175.07529	7.9
177.12744	93.1
179.10748	2.1
182.15422	1.6
191.10670	100.0
299.16516	13.5
355.22650	43.8
355.26135	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	355.2475
Annotation	Prostaglandin D1
Peak:m/z	Relative Intensity
51.40036	11.1
55.05521	47.7
57.03454	10.4
57.07085	93.9
60.90198	10.6
67.05506	69.8
69.07061	44.6
79.05503	44.8
81.07063	100.0
83.08627	42.1
93.07040	74.2
95.08614	76.2
97.06548	14.1
97.10150	12.8
105.07045	16.2
105.19156	12.6
107.08594	61.2
109.10164	44.0
119.08559	20.6
121.10142	81.8
123.11708	16.6
127.11188	16.3
131.08635	11.8
133.10136	22.2
135.08110	13.2
135.11716	54.6
145.10188	21.1
149.13214	17.7
151.11130	12.9
159.11684	13.8
159.46120	12.0
165.16501	11.5
189.34367	11.2
195.00528	10.2
197.69022	10.9
199.47313	12.1
213.16463	11.3
245.22765	17.9
255.17398	12.7
273.18466	57.7
277.21603	20.3
287.20053	18.8
291.19449	25.2
299.25909	18.2
302.13644	11.6
305.21066	72.4
323.22263	78.8
345.28033	12.1
355.28531	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	355.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25068	1.2
55.01872	1.9
55.05525	3.1
62.47963	1.6
64.85996	1.5
67.05511	11.7
69.07074	6.2
71.59933	1.2
79.05495	10.0
81.07069	18.9
83.08626	3.7
84.08166	1.8
91.05486	10.3
93.07046	10.1
95.08599	14.3
97.06564	5.1
97.10159	6.6
100.07601	3.4
105.07042	8.4
107.04954	7.4
107.08606	9.6
109.10130	7.5
109.31073	1.5
111.08035	3.3
115.63490	1.9
117.06991	7.5
119.08585	12.5
121.06485	3.5
121.10139	16.2
123.08067	3.3
123.11681	3.2
124.11234	1.5
125.09560	5.3
131.08585	11.7
133.10152	23.5
135.08066	7.5
135.11685	9.7
137.09653	2.6
139.07542	1.6
140.10674	2.5
145.10115	15.7
147.08070	1.9
147.11700	13.6
149.09622	17.0
149.13228	3.8
151.11172	1.5
154.12224	2.9
157.10129	3.6
159.11696	18.1
161.09636	3.3
161.13228	6.1
163.11160	17.4
165.12848	1.5
167.35498	1.5
168.13837	69.1
170.11775	2.5
171.11697	8.2
173.13257	20.2
177.12752	7.7
182.15427	1.9
185.16444	17.0
191.14304	1.6
219.21123	1.6
229.19479	3.4
239.17996	14.2
247.20555	8.1
257.18982	22.2
274.21570	13.0
275.20056	59.3
275.22888	3.2
291.24359	6.9
292.22665	23.8
302.21042	2.4
309.25351	100.0
315.31067	1.6
319.23746	12.6
320.22168	2.0
337.24844	71.0
338.23203	8.0
355.11700	9.6
355.25943	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	355.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75057	1.3
52.19005	1.3
55.05512	2.5
56.05036	2.7
67.05504	13.8
69.07066	8.0
70.05170	1.3
70.06590	1.8
76.35474	1.7
79.05481	3.9
81.07059	16.3
83.04980	2.3
83.08609	3.8
91.05456	12.0
93.07035	14.9
95.04945	2.1
95.08606	18.0
97.06503	5.8
97.10155	3.2
102.09176	2.1
103.37240	1.8
105.07056	7.0
107.04976	6.5
107.08599	11.7
109.06513	1.9
109.10181	13.9
110.07115	1.8
111.08080	6.6
117.07005	8.3
119.08589	17.5
121.06461	2.6
121.10137	18.5
123.08103	2.2
125.09606	2.7
126.53954	1.6
131.08559	11.9
133.10126	20.6
135.08063	7.2
135.11711	10.8
137.09608	10.1
139.07516	1.9
139.11188	1.9
140.10690	1.9
145.10106	13.4
147.11690	13.6
149.09630	15.2
149.13266	3.7
154.12263	70.8
157.10123	7.1
159.11684	19.6
161.13232	7.0
163.11168	10.3
168.13812	25.9
171.11688	7.3
171.14900	22.2
173.13231	16.8
175.11118	3.5
177.12717	9.5
183.11699	2.3
185.16455	2.9
211.14661	2.5
215.17981	2.6
229.19524	3.0
239.18022	12.1
247.20618	2.8
257.19000	20.7
274.21692	11.4
274.26221	1.8
275.20053	60.1
280.00214	1.5
292.22656	23.9
302.21103	2.4
309.25339	100.0
319.23865	12.2
337.21054	2.6
337.24823	71.1
338.23297	7.4
355.22531	3.9
355.26071	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	355.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54390	0.7
55.05517	1.2
56.05043	7.8
62.06096	0.8
66.05241	0.8
67.05499	3.9
67.34876	0.8
69.07061	5.1
70.06592	1.3
72.04507	1.0
81.07062	3.9
81.81851	0.8
83.08624	1.6
86.96383	0.7
91.05480	1.1
93.07066	1.2
95.08589	6.8
97.10153	1.0
99.46357	0.8
109.10153	9.6
111.11768	0.9
119.08559	3.1
121.10109	3.3
131.08475	0.8
136.11189	1.5
137.09576	4.1
138.12816	1.5
139.11166	1.1
153.13918	3.8
154.12268	100.0
156.10217	3.4
168.13795	5.4
171.14914	43.2
181.17020	1.8
182.15402	52.5
199.18047	12.6
205.08208	0.8
217.58334	0.8
319.23825	7.6
320.22156	3.7
337.24832	19.9
338.23318	4.6
342.89389	0.9
355.12091	1.3
355.19312	0.9
355.25974	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	355.2839
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05510	29.1
57.03427	3.6
57.07076	8.5
59.48129	3.9
64.83747	4.5
67.05508	66.3
69.07081	38.9
73.45975	4.8
76.40110	4.0
79.05515	8.6
81.07064	100.0
83.08622	33.7
83.57478	4.3
91.05470	10.5
93.07040	23.3
95.08605	90.4
97.06538	6.4
97.10174	20.9
97.38116	3.9
99.08086	5.3
105.07031	16.8
106.79148	4.2
107.08596	20.4
109.10155	56.0
119.08590	15.9
121.10146	25.5
123.11710	23.6
125.09615	4.8
133.10121	21.3
135.11700	17.4
137.13275	5.3
141.75348	4.6
147.07906	4.5
147.11668	18.6
149.13264	18.0
151.14873	6.2
161.13268	17.3
161.69547	4.4
163.14738	8.3
165.16394	8.0
167.14308	5.3
169.59029	4.2
175.14793	17.2
205.61852	4.6
240.69800	3.9
245.22635	58.3
263.23721	69.5
281.05261	5.1
289.70795	4.7
309.15387	4.0
337.27246	45.2
355.28333	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	355.2839
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03953	2.1
55.05518	19.8
57.03436	2.5
57.07066	11.3
67.05509	59.7
67.60643	3.5
69.07066	33.2
71.08635	4.3
79.05492	23.3
81.07064	91.3
83.08627	28.2
85.06551	4.1
91.05475	11.3
93.07038	29.9
95.08604	100.0
97.06526	10.0
97.10184	19.1
98.46391	3.0
99.08087	4.6
105.07040	11.3
107.08582	24.1
109.10145	49.9
111.08068	3.1
111.11738	3.7
119.08556	15.2
121.10152	27.8
123.11722	25.8
125.09573	2.6
133.10155	21.3
135.11691	14.0
137.13237	11.8
147.11671	19.9
149.13271	18.8
151.14786	6.3
161.13239	18.9
163.14780	19.4
165.16420	11.1
175.14807	13.4
189.16296	5.8
245.22588	70.8
248.95314	3.0
263.23672	75.4
281.24655	3.3
289.43680	3.2
337.27350	39.0
355.28247	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	355.284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	5.5
55.66477	2.9
57.03419	3.8
57.06876	2.5
57.07088	47.4
59.10928	2.6
60.10248	2.7
65.59422	3.3
67.05507	27.0
69.07060	16.1
71.08636	51.1
79.05484	5.5
80.06084	2.9
81.07065	54.0
83.08615	14.5
85.55987	2.7
95.08096	3.5
95.08603	31.2
97.10175	20.7
107.08607	7.0
109.10151	22.8
119.08613	4.1
121.10135	5.8
122.32251	3.1
123.11678	15.3
124.76334	3.2
133.10178	3.2
141.12741	22.0
154.12257	14.7
168.13817	7.8
182.15424	3.6
211.68672	3.7
263.23840	5.0
283.73648	3.3
299.25803	13.4
304.05627	3.0
324.28961	6.9
355.28500	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2841
Annotation	Methyl acetyl ricinoleate
Peak:m/z	Relative Intensity
55.05515	9.9
57.03448	4.8
57.07081	38.9
59.05010	2.0
67.05508	23.4
69.07081	18.2
69.95875	2.3
71.08635	57.6
81.07069	58.6
83.08623	18.7
85.10187	29.9
91.05473	4.6
93.07047	5.5
95.08607	63.8
97.10164	12.3
101.30933	2.0
107.08599	4.6
109.10143	29.7
111.11727	3.1
119.08537	3.3
121.10120	3.4
123.11720	20.2
133.10127	5.6
137.13239	10.0
151.11166	2.8
154.12250	4.3
155.14268	17.1
161.13246	3.3
168.13826	5.3
194.43837	2.4
219.19896	2.5
245.22589	3.3
263.23584	4.7
295.62122	2.6
299.25778	10.1
307.26514	4.7
324.28940	30.0
355.15842	4.9
355.28510	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	355.284
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05520	22.8
57.03440	4.6
57.07075	11.5
62.16101	1.8
67.05511	64.0
69.07068	35.2
71.08627	5.0
79.05502	17.6
81.07066	97.6
83.08621	30.1
85.06542	3.1
85.10209	2.3
91.05474	14.3
93.07034	28.9
95.08609	100.0
97.06529	12.1
97.10159	20.5
99.08126	3.2
105.07027	8.1
107.08611	21.8
109.10157	53.8
111.11753	2.2
115.48718	2.1
119.08577	15.3
121.10124	32.9
123.11707	20.4
125.13256	2.7
129.05521	2.4
133.10162	24.8
135.11703	13.2
137.13281	10.4
147.11667	15.0
149.13257	12.6
151.14935	3.1
161.13210	16.0
163.14812	14.1
165.16400	3.8
175.14810	13.1
177.16354	2.4
179.17867	3.1
189.16370	3.7
207.17500	2.2
245.22623	43.1
263.23718	66.0
281.24692	3.5
302.83737	2.3
321.95618	2.5
337.27380	44.8
355.28372	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	355.284
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05514	19.4
57.03467	3.2
57.07076	12.4
59.21462	2.6
63.96163	2.0
67.05504	65.4
69.07076	32.2
71.08625	6.1
72.59445	2.3
75.31403	2.3
79.05494	25.0
81.06615	4.7
81.07064	100.0
83.08624	32.4
91.05492	12.2
93.07046	27.9
95.08611	97.3
97.06525	11.4
97.10169	19.9
97.23465	2.4
105.07009	6.3
107.08596	26.0
109.10155	59.6
111.08111	4.0
111.11734	4.7
119.08551	19.5
121.10137	34.9
123.11694	26.6
133.10136	19.0
135.11716	21.9
137.13274	12.6
147.11716	6.5
149.13255	15.3
151.14879	3.2
161.13245	16.7
163.14819	15.4
165.16391	6.2
174.16737	2.7
175.14835	11.1
176.43864	2.3
189.16406	5.4
191.42551	2.7
211.68433	3.0
245.22603	60.3
262.42282	2.7
263.23669	86.7
337.27390	42.4
355.28394	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	355.2842
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.04621	3.6
55.05522	18.2
57.03440	5.0
57.07076	16.5
62.10702	3.3
65.59751	3.7
67.05518	71.1
68.66342	4.5
69.07062	35.5
69.30919	3.5
71.08646	7.4
79.05495	17.5
81.07063	91.6
83.08643	31.4
85.06566	4.5
91.05456	6.9
93.07047	29.8
95.08617	100.0
97.06505	7.7
97.10185	21.4
105.07005	8.1
107.08598	22.5
109.10160	64.9
119.08597	15.8
121.10161	35.2
123.11716	29.4
133.10130	25.7
135.11691	18.3
137.13287	6.4
147.11710	21.3
147.12889	4.1
149.13275	17.8
161.13309	8.3
163.14836	16.2
165.16371	4.6
175.14801	17.9
245.22650	57.5
263.23709	73.3
281.24863	5.5
281.28226	4.4
314.71805	4.9
337.27313	39.2
355.28293	62.7
355.32840	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	355.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60870	1.2
55.05517	10.1
57.07087	2.2
62.17196	1.4
67.05511	21.2
69.07074	13.3
71.08671	1.7
79.05522	7.5
81.07059	56.2
83.08624	19.6
86.09673	2.2
91.05502	2.5
92.21531	2.3
93.07044	15.7
95.08606	58.8
95.09191	2.8
97.06515	3.1
97.10188	15.9
98.97609	17.5
105.07058	2.4
107.08583	11.6
109.10157	31.1
110.09713	3.6
111.08071	3.8
111.11712	2.3
116.98649	8.4
119.08608	9.4
121.10149	15.6
123.11722	9.8
125.09622	3.0
131.08562	3.8
133.10120	12.2
134.99577	2.2
135.11725	10.1
137.09653	2.7
137.13313	2.7
138.09128	2.3
139.07535	14.1
140.10724	11.3
145.10117	3.9
147.11711	6.5
149.09682	1.7
149.13330	3.9
151.11192	4.1
154.12325	7.2
156.10262	6.1
157.13438	6.7
158.99654	7.9
159.11649	2.6
161.13277	9.9
163.14862	14.4
168.13855	4.0
173.13263	2.8
175.14854	7.7
177.00764	3.4
180.17490	6.7
185.16460	1.9
187.14917	1.9
196.17046	1.8
209.15344	2.9
226.18066	6.7
236.98706	2.1
257.22726	2.0
274.25238	13.3
275.23856	14.9
277.25497	2.5
285.22397	1.6
290.90033	1.7
292.26343	3.0
294.28076	3.5
302.24591	2.7
303.23132	20.4
320.25989	9.9
321.24185	6.7
335.16812	11.6
338.26886	80.1
355.26260	9.0
355.29691	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	3.2
57.06823	2.2
57.07081	35.9
67.05478	1.8
69.07052	2.6
71.08346	1.3
71.08637	21.7
79.05506	10.9
81.07038	2.6
83.08605	5.7
85.10169	16.9
94.58753	1.2
95.08597	2.3
97.10147	5.8
97.72149	1.3
107.08595	16.5
109.10146	3.2
124.11227	45.5
125.09621	10.2
135.08047	7.4
142.12289	2.7
152.10693	19.2
153.09161	2.2
154.12251	8.7
157.24864	1.4
168.13875	2.1
170.11751	72.3
171.14925	3.2
172.20650	2.7
184.20610	3.3
186.22154	63.3
249.99869	1.9
267.22617	1.4
310.31039	7.7
320.13373	1.5
338.30490	46.2
355.29050	5.9
355.33130	100.0
379.34766	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	356.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06606	5.0
58.71078	0.3
59.05003	0.6
67.05504	0.7
67.96865	0.4
69.07066	0.3
70.06586	1.0
81.07051	1.9
84.08150	0.8
90.94922	0.4
95.08579	0.5
96.69468	0.4
104.99709	0.5
110.07204	0.4
113.09618	0.8
130.49478	0.4
131.10669	0.5
141.09108	0.7
147.04344	0.5
159.10210	0.5
175.29738	0.4
176.10641	0.6
177.11295	0.5
177.14827	0.7
194.08069	0.5
194.15053	0.5
207.07722	1.0
208.08061	1.7
222.09335	1.5
234.99318	0.5
266.08057	0.7
295.08392	0.8
296.05841	1.1
296.09152	10.3
296.42038	0.4
297.09995	0.6
310.10553	3.7
312.08627	3.8
312.12012	1.1
324.08588	0.8
326.06549	0.8
326.10092	0.8
338.10147	1.0
340.08163	14.0
341.08914	13.6
341.12607	1.9
356.11246	100.0
356.14993	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	356.1488
Annotation	Buntanine
Peak:m/z	Relative Intensity
58.06594	1.7
59.04996	0.6
66.93314	0.4
68.24637	0.3
68.60932	0.4
69.33166	0.3
73.95667	0.4
85.28146	0.4
86.09698	0.5
87.04482	0.7
91.05489	0.5
94.71511	0.3
95.04929	0.5
98.33786	0.4
107.04945	0.8
114.09166	0.4
116.07084	0.6
119.04948	0.8
126.05525	1.5
137.05966	0.5
149.05949	4.2
151.07539	15.7
161.09084	0.4
163.03812	0.4
165.05479	4.5
173.29420	0.4
175.03899	2.3
176.07083	0.9
179.09428	1.9
180.10199	2.1
188.07083	0.5
190.08621	29.3
191.09402	31.0
192.10178	2.1
194.11748	0.5
195.08098	0.5
204.07660	0.8
206.08170	0.8
208.09694	5.7
222.08759	0.4
223.07457	0.7
225.09081	0.6
232.07135	1.5
235.07616	2.8
237.09081	0.4
239.07076	0.5
239.10693	0.6
249.09081	4.0
250.08292	0.6
253.08510	0.8
263.07050	0.7
265.08658	2.1
269.08093	1.5
275.07098	0.7
277.08533	6.0
282.10931	0.9
293.07901	0.7
295.09671	2.4
297.11215	1.6
306.11163	1.6
307.09741	0.4
309.11224	0.4
311.09143	6.1
323.11447	0.7
324.12912	0.9
325.10690	0.9
336.12155	0.6
338.13962	4.3
356.14932	100.0
378.24243	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	356.1491
Annotation	Buntanine
Peak:m/z	Relative Intensity
52.89507	0.6
58.06604	3.3
62.51103	0.6
62.94010	0.6
68.99783	0.8
76.31816	0.6
86.09772	1.1
109.29972	0.6
137.05988	1.2
149.06020	5.8
167.07065	1.0
177.05466	0.9
188.07065	11.5
189.07854	11.4
190.08624	1.5
195.04425	1.0
195.08060	1.1
201.05533	1.6
202.05820	2.6
205.06540	0.7
206.05386	0.7
206.08124	6.0
221.06012	1.4
223.07550	3.6
225.98259	0.7
227.06976	7.1
236.04787	0.8
237.05559	0.8
247.07625	1.0
251.06998	12.0
253.08441	0.9
255.10262	1.2
259.13190	0.7
262.93903	0.7
268.07422	6.2
269.08096	3.0
275.06967	5.7
277.08319	0.7
278.08865	0.8
279.06442	9.2
283.09622	2.8
292.47214	0.7
296.06821	10.1
311.09122	100.0
323.11551	0.8
338.14127	1.5
356.14926	84.2
360.52899	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	356.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06592	0.3
65.26469	0.2
86.09700	0.4
86.69630	0.3
89.96088	0.2
91.05473	0.3
96.36554	0.2
119.04946	0.4
121.06519	0.3
135.04416	1.1
137.06001	0.5
147.04439	0.3
149.05980	14.4
151.07552	3.2
160.07617	0.4
167.07014	1.6
172.74779	0.3
175.06352	0.7
176.07129	0.6
177.05499	2.5
177.07896	1.1
178.08649	1.9
187.04016	0.3
188.07071	32.1
189.07857	28.3
190.08607	6.6
192.10202	1.1
195.07980	1.9
206.08125	16.2
207.08049	0.6
209.06030	0.3
217.06534	0.5
223.07516	0.9
227.07124	0.5
227.10745	0.3
235.07547	1.4
237.05568	0.4
237.09230	0.5
240.07968	0.3
247.07526	4.8
251.06982	1.3
253.08583	0.3
255.10129	0.4
263.07065	0.6
265.08621	1.5
267.10172	2.0
268.07352	0.5
269.08130	2.0
275.07025	11.3
277.08606	0.5
279.06815	0.5
292.07245	0.6
295.09677	1.7
296.06854	0.5
297.11230	0.6
307.09644	0.6
308.09305	0.4
308.12567	0.8
311.09140	9.3
312.11331	0.3
313.10693	0.3
321.09900	0.4
322.10635	2.0
323.11609	3.6
325.10617	1.5
336.12299	0.6
338.13870	5.7
340.10904	0.5
341.12000	1.9
356.14917	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	356.149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57767	0.3
55.45594	0.4
56.05046	0.4
58.06608	100.0
61.65507	0.3
69.09752	0.4
70.06595	0.8
83.08630	0.8
84.08140	0.7
85.02933	0.6
86.09712	0.6
123.08105	0.5
150.62134	0.4
183.01630	0.4
189.45056	0.4
193.31149	0.4
194.15527	0.5
212.06670	3.3
255.07384	0.8
278.60779	0.4
285.11288	4.8
296.05658	0.6
339.06348	0.7
356.07599	2.2
356.14960	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	356.1494
Annotation	Buntanine
Peak:m/z	Relative Intensity
56.05037	0.7
58.06619	4.6
62.55270	0.4
69.94982	0.5
70.06596	0.9
79.73681	0.4
84.08164	0.6
86.09705	0.9
87.76084	0.4
89.33927	0.4
96.59769	0.4
103.05379	0.4
104.62097	0.4
109.96156	0.4
110.07178	1.0
119.04984	0.5
121.06487	1.7
129.10219	0.4
149.05997	8.6
159.04407	0.6
161.05948	0.5
162.09167	2.6
163.07538	2.1
167.07098	0.7
177.05440	4.0
188.07083	11.7
189.07857	10.6
190.08626	5.3
193.05296	0.5
202.05795	0.6
206.08128	27.8
237.09055	0.7
249.09149	0.9
253.08563	0.6
261.09024	0.8
263.07190	0.6
265.08652	0.6
267.10123	2.1
270.66599	0.4
277.08536	1.9
279.10190	0.9
281.08057	0.4
286.12088	0.4
289.08505	3.2
307.09613	5.4
308.12762	0.6
311.09164	0.5
320.12909	2.6
322.26904	0.5
338.13864	19.0
338.17838	0.7
356.14932	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	356.1853
Annotation	Glaucine
Peak:m/z	Relative Intensity
57.31965	0.2
58.06601	0.4
59.75605	0.2
76.11938	0.3
79.27378	0.2
81.07064	0.3
86.09718	0.3
92.21078	0.6
95.08662	0.3
97.02852	0.3
151.07536	0.3
151.11890	0.3
165.09042	0.5
176.10645	0.3
189.07710	0.3
190.08603	0.7
191.09361	1.3
192.10222	0.6
194.11737	0.3
204.10141	2.0
205.10965	0.4
206.11758	100.0
293.11728	0.3
294.12476	0.3
311.53192	0.3
325.14136	0.4
356.18491	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	356.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50076	0.3
56.36472	0.3
57.24770	0.3
58.06601	2.8
72.08123	0.5
86.09724	3.1
86.17649	0.4
95.77457	0.3
97.60403	0.4
114.09161	0.6
125.90987	0.4
137.05960	0.8
151.07491	0.4
183.11214	0.3
190.08609	0.9
191.09401	1.6
191.60782	0.4
202.05864	0.7
206.11771	100.0
217.13916	0.4
279.10092	0.7
295.44958	0.4
296.10376	1.7
310.11835	0.4
311.09113	1.5
311.12817	1.6
341.16278	0.6
356.15024	2.0
356.18570	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	356.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06604	0.4
59.05003	0.5
70.06608	0.4
86.09705	3.6
101.76348	0.3
130.08664	2.3
132.10204	0.6
149.12051	0.3
156.04013	0.4
165.09152	0.4
177.07787	2.4
190.08617	1.4
192.10188	100.0
212.76117	0.3
226.87485	0.3
264.13382	0.5
273.52618	0.3
295.01523	0.3
308.20038	0.6
328.79514	0.3
337.51550	0.3
338.17072	0.5
338.20871	0.4
356.18488	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	356.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06602	0.4
59.04997	1.6
83.83336	0.4
86.09710	0.5
92.96663	0.3
103.07596	0.8
116.58482	0.3
121.49658	0.3
121.94221	0.4
131.50262	0.3
145.22736	0.4
147.04361	1.6
165.09117	0.4
177.07806	2.8
190.08665	2.0
192.10194	100.0
294.07883	0.6
294.12912	0.4
308.20151	0.4
322.06964	0.5
326.11038	0.5
339.23917	1.3
356.18549	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	356.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58826	0.2
58.06591	0.5
59.51544	0.2
66.26463	0.2
87.68379	0.2
88.85117	0.2
113.82230	0.2
126.21990	0.2
151.07541	0.4
162.09120	0.3
190.08636	1.3
191.09377	1.7
204.10181	1.1
205.11067	0.3
206.11769	100.0
236.72771	0.3
279.10220	1.1
341.16193	0.5
356.18561	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	356.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37583	0.2
51.77451	0.2
52.99828	0.2
56.12218	0.2
58.06601	0.2
59.05005	1.0
64.83210	0.2
70.06598	1.6
80.28404	0.2
80.49203	0.2
81.07033	0.2
86.09708	2.1
93.85777	0.2
95.08599	0.3
103.07560	0.3
113.00873	0.2
130.08646	3.7
151.07466	0.4
162.09126	0.3
165.09135	0.4
167.73505	0.2
190.08643	1.1
191.09451	1.5
192.10205	1.3
199.17986	0.3
204.10190	2.4
206.11765	100.0
293.11847	0.2
307.05664	0.2
325.14447	0.3
339.23608	0.4
356.18524	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	356.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11038	0.4
53.26919	0.4
56.96577	8.5
59.06118	0.8
60.78907	0.6
69.03493	0.6
81.07082	0.7
95.08604	0.8
97.96804	0.8
107.08565	0.6
110.97540	0.7
111.58073	0.6
119.85641	0.6
120.60277	0.5
128.98584	2.4
133.18027	0.6
146.99652	5.0
161.01228	1.1
164.31123	0.6
165.00648	0.9
190.05086	1.1
208.06226	1.0
208.84044	0.6
227.09563	1.2
241.11092	0.9
244.09850	0.7
245.10693	1.2
255.12639	0.7
263.09552	4.4
264.10306	2.1
265.10989	0.8
276.18869	0.6
282.11197	0.9
303.12738	1.4
313.14774	2.1
315.16299	76.0
331.15698	5.1
333.17365	100.0
338.13336	0.7
351.18390	11.6
356.19016	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	356.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01955	1.1
55.05505	1.7
57.03415	1.5
57.07074	2.8
62.44257	1.1
67.05502	6.8
67.35410	1.1
69.07074	2.9
79.05483	2.1
81.07054	5.7
84.17053	1.2
91.05486	1.6
93.07059	2.6
96.04259	2.8
97.06553	3.2
97.10174	1.7
99.94466	1.4
109.06512	1.4
109.10174	2.6
112.03716	2.7
121.06469	1.9
121.10132	2.8
125.06004	1.7
137.09639	1.9
140.06822	5.7
149.09677	1.3
156.06342	16.5
156.15392	1.4
187.08160	10.0
188.08939	100.0
236.19904	6.1
268.22372	6.2
311.24280	13.0
312.25034	15.2
320.25967	1.4
321.24036	1.5
356.27881	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	356.279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.3
57.00231	2.3
62.05793	4.9
62.06095	100.0
65.39346	2.6
67.05505	5.8
69.07063	4.9
71.08624	4.0
71.45804	2.4
76.74245	2.5
79.05490	3.8
81.07058	17.1
83.08626	4.2
84.22181	2.4
85.10196	12.5
91.05490	5.0
92.21477	3.6
93.07072	4.1
95.08610	11.3
99.47249	2.5
105.07053	6.3
107.08621	3.0
107.32008	2.4
109.10160	3.2
121.10178	4.2
137.09654	4.1
147.11638	5.7
152.39058	3.1
157.10048	2.7
159.11732	3.1
165.12686	4.1
208.16991	4.9
216.16075	4.1
226.18021	10.6
231.34242	3.0
238.18008	39.3
256.19089	15.0
320.25757	64.0
338.26868	68.3
356.16757	6.0
356.21198	8.8
356.27930	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	356.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	4.5
57.07056	1.7
62.05796	4.4
62.06097	100.0
67.05496	10.2
69.07066	9.9
79.05492	3.0
80.24667	2.2
81.07070	14.6
83.08609	5.2
85.10181	4.9
91.05499	2.9
93.07055	10.2
95.04918	3.3
95.08601	4.8
97.06543	3.1
98.06019	1.9
105.07046	2.0
107.08593	4.8
109.10153	4.4
119.08558	4.5
121.10130	2.9
126.09133	4.2
131.08508	2.7
147.11678	4.0
148.45450	2.3
165.12721	4.3
198.14847	17.0
199.13254	2.6
208.16885	4.4
216.15912	18.4
226.17973	3.7
238.17982	12.5
256.19067	4.4
277.21790	2.3
320.25833	49.1
338.26913	61.4
356.16406	4.8
356.27676	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	356.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	1.7
55.05513	7.3
56.05048	1.6
57.07079	22.8
67.05510	22.4
69.07076	46.2
71.04990	6.9
71.08636	23.5
79.05475	5.1
79.92793	1.6
81.06613	2.8
81.07062	43.5
83.04955	1.2
83.08620	8.7
91.05462	8.8
93.07047	14.9
95.08611	24.1
97.06535	7.1
97.10178	2.0
105.07003	2.5
106.07862	1.5
107.08575	12.1
109.10147	21.3
111.08077	1.7
111.11706	8.9
121.10156	11.2
123.11679	12.5
133.10149	23.4
135.11710	11.1
141.12764	10.1
143.14302	3.3
147.11696	2.2
149.13225	8.3
151.11188	11.3
152.14391	1.9
153.12682	2.9
160.89989	1.6
161.13150	2.2
167.14272	1.9
168.13797	11.9
184.16937	6.0
186.14767	1.7
198.14864	7.6
200.16467	56.5
208.03546	1.6
227.12790	2.4
241.45308	1.8
307.26324	36.2
324.28964	100.0
356.31918	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	357.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38870	0.5
53.03959	8.8
55.05519	3.0
65.54371	0.5
68.99786	0.5
69.03434	21.1
71.04993	3.9
75.40752	0.6
75.81502	0.6
81.03425	42.6
81.07066	0.9
83.04980	1.3
85.02892	4.2
87.00848	2.2
95.08609	0.5
97.02894	11.0
97.10124	0.6
99.04460	31.3
109.02885	100.0
124.10998	0.6
126.56262	0.6
127.03922	51.0
145.04881	0.7
147.11690	0.9
147.40695	0.7
163.71884	0.6
165.40179	0.8
177.05441	1.1
183.07506	0.7
195.02852	0.7
212.16335	0.8
213.03905	3.5
231.04932	0.7
243.73280	0.6
253.07164	0.8
271.08051	1.3
295.07935	0.9
339.07022	6.2
357.08157	13.9
357.31174	1.0
367.08994	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1176
Annotation	1-O-Feruloyl-beta-D-glucose
Peak:m/z	Relative Intensity
55.23367	0.1
58.06598	0.3
62.83371	0.1
65.03944	0.7
70.06586	0.2
79.63513	0.1
84.08125	0.3
86.09701	0.6
91.05479	3.2
93.92709	0.1
96.78865	0.2
97.02870	0.3
117.03384	0.2
119.04939	14.9
121.02866	0.2
129.05453	0.2
137.05914	0.3
145.02814	2.0
147.04408	100.0
148.04756	0.2
157.07573	0.3
165.05455	0.2
170.06293	0.2
176.48097	0.2
177.05469	4.1
194.07048	0.2
203.08183	0.3
207.08434	0.2
215.06909	0.2
217.54405	0.2
357.15298	1.9
357.21460	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	357.1178
Annotation	Gentiopicrin
Peak:m/z	Relative Intensity
65.03928	0.3
67.26421	0.1
67.95099	0.2
68.59177	0.2
68.69878	0.2
70.06572	0.4
74.55799	0.2
84.04514	0.3
86.09690	0.8
91.05482	2.7
116.07085	0.4
119.04938	12.3
140.80579	0.2
147.04405	100.0
165.05507	0.4
167.29489	0.2
167.89143	0.2
168.63673	0.2
193.07050	0.3
196.14450	0.3
197.12939	0.2
219.00224	0.2
222.12401	0.3
225.07426	1.1
231.70403	0.2
242.14865	0.2
285.09418	1.0
296.05673	0.4
297.05887	3.3
313.09000	0.4
316.14157	0.2
339.10553	0.3
357.08008	6.4
357.12219	0.3
357.21231	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	357.1178
Annotation	1-O-Feruloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.56762	0.2
65.03964	0.2
70.06590	0.4
86.09713	0.3
89.23492	0.2
91.05471	2.1
97.02878	0.3
98.41080	0.2
119.04947	11.4
119.94835	0.2
123.06013	0.3
129.10228	0.3
138.62405	0.3
147.04411	100.0
158.17223	0.2
165.05443	0.3
177.05559	0.2
193.04979	1.1
193.06842	0.3
194.05385	0.4
195.05495	1.2
339.10703	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	357.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06475	0.8
61.01159	21.5
61.02924	3.3
69.03432	6.6
69.33024	0.9
73.02917	0.9
75.43858	0.6
81.03422	2.0
81.34094	0.8
84.08152	1.2
85.02428	1.4
85.02907	25.8
87.04461	4.4
91.02172	28.9
91.03935	1.1
97.02896	13.2
99.04470	3.0
103.03289	5.3
103.03904	0.9
104.01692	6.1
109.02896	4.5
112.05084	1.2
121.04312	31.7
127.03932	8.5
130.91557	0.8
133.04303	40.1
145.04965	5.3
163.06027	1.0
189.57951	1.0
195.07979	16.2
344.84720	0.9
357.13251	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1332
Annotation	Pluviatolide
Peak:m/z	Relative Intensity
53.23069	1.5
55.01877	11.0
64.15717	1.2
65.03926	1.7
67.05523	1.4
69.03426	2.2
71.12895	1.6
74.20063	1.3
81.03416	7.8
81.07072	2.9
81.41331	1.3
91.05473	3.1
93.07016	2.1
97.02882	1.9
99.04513	2.5
105.07048	2.3
107.04937	3.4
109.02895	11.8
109.06520	3.2
109.10130	2.3
111.04456	6.3
115.05447	2.3
117.03356	1.5
121.06517	2.6
122.03645	3.4
125.05991	6.6
127.03919	5.7
131.04947	2.2
132.05739	2.2
133.06470	2.9
137.05984	100.0
143.04875	2.0
145.02870	14.8
147.04428	3.1
149.06006	7.4
151.03912	3.2
153.05434	2.8
157.07599	1.7
161.05937	11.8
162.06766	1.8
165.05510	18.3
171.11678	1.9
175.07489	11.7
177.05479	41.3
187.07518	5.8
191.08530	5.2
203.07002	6.1
207.08115	2.5
215.07069	3.7
217.06422	2.3
218.07196	3.1
219.08063	23.4
229.06436	5.8
234.06606	1.6
235.07564	3.1
236.08228	3.0
246.06798	7.9
247.07605	21.1
248.08485	2.0
249.09239	5.7
251.10698	2.8
257.05951	6.5
257.59204	1.7
259.16928	2.5
261.09100	19.7
262.06183	3.0
263.07034	8.3
264.07822	11.9
265.08569	6.5
266.09219	1.7
267.10257	3.6
269.08002	1.8
274.06229	10.9
275.07050	13.0
276.07806	2.2
277.08649	18.4
278.09427	3.5
279.07248	1.9
279.10184	13.1
280.07306	1.6
281.08145	1.7
289.08551	26.5
290.09308	2.0
291.06500	2.7
292.07086	2.8
293.08118	2.0
294.08871	9.4
295.09631	3.4
305.17184	2.2
306.08902	7.7
307.09647	43.1
309.07724	2.9
309.11130	12.3
321.11188	40.2
327.12265	28.3
339.12274	48.0
357.13269	32.5
357.23859	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	357.188
Annotation	Unknow
Peak:m/z	Relative Intensity
61.74832	0.5
74.09254	0.5
84.04507	0.8
89.92701	0.5
93.07067	0.6
107.08605	0.6
130.05005	0.9
132.43356	0.6
137.05948	4.5
145.02847	0.7
177.05426	0.6
232.17030	0.6
258.79251	0.6
313.72528	0.5
357.13647	4.7
357.18820	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22578	1.0
56.05022	1.6
60.44328	1.1
63.06622	1.1
67.05515	2.6
69.03425	1.2
69.07076	2.2
77.88425	1.3
78.94004	1.3
79.05482	2.0
81.07076	20.7
83.04984	1.6
83.06101	29.6
83.08651	1.9
84.04512	67.1
91.05482	6.7
92.21287	2.9
93.07034	1.4
95.08601	2.0
97.06518	1.6
101.07127	14.7
101.39082	1.4
102.05534	18.7
105.07043	6.9
107.08592	7.7
109.02882	1.9
115.09462	1.5
119.08559	7.6
121.10130	7.2
123.11694	14.4
129.06601	45.4
130.05003	100.0
147.01299	1.3
147.07655	31.1
147.11671	34.5
161.59138	1.5
165.12730	22.1
182.15384	14.5
210.14922	10.6
228.15938	11.4
229.14319	1.9
293.18555	3.0
294.17117	9.8
321.18024	25.8
322.16357	2.7
339.19095	16.7
340.17471	7.7
357.07239	2.2
357.13831	1.7
357.20007	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	357.2132
Annotation	CHEBI:73270
Peak:m/z	Relative Intensity
55.05520	1.6
56.05032	4.0
57.23872	1.4
58.06608	45.9
59.06944	6.9
60.04499	1.5
61.47189	1.3
69.07049	2.1
70.06596	44.0
72.04526	2.9
72.08155	10.3
74.06079	3.9
74.30937	1.8
76.05145	2.1
77.48261	1.4
83.06112	19.2
84.04515	38.3
84.08157	12.8
86.09708	38.1
93.75116	1.5
96.04445	1.5
98.27979	1.5
99.25710	1.6
101.07124	17.9
110.07160	4.0
113.07108	2.4
116.07094	100.0
116.08195	5.5
123.08083	1.4
129.06607	37.2
129.10260	10.6
140.07062	11.1
141.06557	19.0
152.10728	14.1
156.11357	1.7
160.07162	2.7
169.13330	12.1
174.12358	6.3
175.03990	1.7
184.06047	3.2
187.10912	1.9
195.44675	1.7
196.14464	65.0
197.12839	52.3
214.15520	31.8
224.13986	14.8
225.12244	3.3
229.15443	2.3
242.14980	36.7
286.11588	2.5
339.16583	3.0
339.20139	20.2
340.18607	12.2
357.14401	20.6
357.17352	8.9
357.21194	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	357.2134
Annotation	CHEBI:73270
Peak:m/z	Relative Intensity
52.30804	0.4
53.33484	0.4
56.05051	6.9
60.05655	0.5
63.57804	0.5
68.13602	0.5
69.07063	3.4
70.06240	0.9
70.06602	18.6
72.08157	5.0
74.06062	0.6
76.05109	0.7
80.37814	0.4
81.42152	0.4
83.06123	1.1
84.04516	4.9
84.07678	0.9
84.08151	14.9
85.02873	0.6
86.09715	100.0
88.03978	4.0
96.33363	0.5
98.35018	0.6
98.50838	0.5
101.07121	1.3
102.05563	0.9
110.07176	10.2
112.05087	0.6
115.08660	0.6
116.06273	0.9
116.07101	28.6
129.06575	0.7
129.10251	28.6
130.10547	0.5
131.11806	18.4
136.07596	0.6
141.10229	0.7
143.11794	3.1
162.10280	0.8
166.06125	2.1
166.08629	3.3
171.11298	3.2
181.09787	1.0
187.10803	3.4
197.12857	0.9
197.16504	0.8
201.12325	5.3
207.12399	2.7
208.09682	5.4
209.09160	0.9
214.15511	0.6
217.10860	0.6
224.17618	0.8
225.12383	5.3
226.11888	6.2
227.10240	4.3
229.15477	0.9
235.11855	5.5
242.15004	45.0
242.18752	3.3
244.13068	0.5
254.10489	2.0
271.32666	0.5
313.11890	1.1
320.52185	0.6
357.12857	3.6
357.17676	3.2
357.21332	8.5
357.25018	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	357.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96980	0.5
55.05530	0.7
56.05053	1.0
69.07072	1.4
75.17896	0.5
81.03401	0.6
81.07053	1.1
93.06998	0.8
95.08610	0.8
97.28720	0.7
99.04475	0.6
100.09980	0.5
111.08147	0.6
112.23094	0.6
121.10127	1.2
145.10139	0.9
158.09627	6.1
182.09656	8.3
186.12770	1.2
198.12856	7.1
200.14333	1.2
209.44807	0.6
316.22583	4.1
327.18564	62.8
342.20908	58.4
357.23257	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	357.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76531	0.6
52.50145	0.5
56.05038	0.5
62.91676	0.6
69.07072	0.6
73.65173	0.6
78.57491	0.5
78.93611	0.6
81.07008	0.8
89.03300	0.6
91.46270	0.6
104.09453	0.6
113.74859	0.6
114.61396	0.6
118.15514	0.7
134.99760	0.6
144.12161	0.6
158.09607	7.9
167.07332	0.8
171.10506	0.8
172.11142	0.8
182.09613	7.7
183.10414	1.3
186.12811	1.3
198.12764	6.2
200.14400	3.0
244.40851	0.6
246.71510	0.6
316.22501	1.3
327.18521	68.1
334.19324	7.2
342.20883	59.1
347.05615	0.6
357.23242	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10078	0.4
56.05040	1.2
60.96038	0.4
66.65659	0.5
67.05511	0.6
80.68068	0.5
81.07039	0.5
83.06113	0.5
84.08167	0.6
98.97596	1.0
116.98573	1.7
121.10151	0.5
134.99612	0.7
158.09610	7.7
171.10556	0.5
172.11125	0.6
182.09654	7.6
183.10362	0.5
186.12767	1.9
198.12791	6.3
200.14410	1.8
246.10201	0.6
265.38367	0.6
277.21783	0.5
292.94745	0.6
294.24310	3.2
310.95721	0.6
316.22427	2.9
317.93542	0.5
327.18546	63.7
328.75867	0.5
334.19632	0.6
342.20898	54.5
357.23233	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	357.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00017	0.3
56.05045	0.6
65.00596	0.3
67.05505	1.5
69.07072	0.6
70.06606	0.3
79.05548	0.3
81.07052	4.1
83.95042	0.3
84.08147	100.0
85.06532	0.3
91.05476	0.5
93.07060	0.6
101.10774	1.3
105.07030	1.3
107.08593	1.2
112.07617	1.9
113.97045	0.3
115.94765	0.3
119.08562	2.1
121.10161	1.4
123.11704	2.6
127.07591	0.3
129.10240	28.7
130.08646	21.7
131.45018	0.3
134.96242	0.3
141.85071	0.3
147.11365	7.7
157.10034	0.4
164.14389	0.5
165.12752	1.7
177.13853	0.3
182.15466	0.4
192.10219	1.6
193.10512	1.8
196.32086	0.3
210.14891	1.7
236.49005	0.3
248.19994	0.5
276.19592	1.9
293.22253	0.7
294.20776	0.6
303.20706	0.4
321.21667	4.6
339.22546	0.6
355.26447	0.3
357.19086	4.7
357.23795	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	357.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67475	1.4
55.05519	100.0
59.47498	1.3
63.41416	1.5
67.05492	6.8
69.07064	9.0
79.05485	3.7
79.20100	1.6
81.07056	10.2
83.08618	35.1
91.05480	3.2
93.07024	8.0
95.08601	13.6
97.10146	1.7
98.97549	1.6
102.55354	1.6
104.10236	1.6
105.07000	12.3
105.33191	1.6
107.08579	3.5
109.10159	3.4
117.07003	2.7
119.08587	14.4
121.10142	2.2
131.08536	3.9
133.10155	8.1
135.11681	3.6
142.09021	1.6
145.10115	9.2
147.11691	8.8
157.10101	2.7
159.11710	8.3
159.99040	1.9
161.13199	3.0
171.11511	1.8
173.13251	7.7
186.07339	1.8
229.19514	2.1
257.19006	7.8
260.40649	1.7
265.25302	2.9
275.20120	8.2
292.94855	2.7
353.10788	1.8
357.24133	3.5
357.27866	60.1
375.01181	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	357.2997
Annotation	MG(0:0/18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
55.05523	49.3
57.03435	6.8
57.07085	38.8
67.05508	56.6
69.07072	83.0
71.08640	45.7
76.12748	2.3
79.05509	32.4
81.07064	70.6
82.45400	2.7
83.08627	79.1
85.06513	2.9
85.10195	15.0
93.07040	51.2
95.08616	82.4
97.06539	23.2
97.10172	64.6
99.08104	10.3
106.02162	2.6
107.08593	52.9
109.10159	59.8
111.08085	14.2
111.11712	11.3
113.09644	3.3
121.10146	89.1
123.11665	10.6
125.09639	26.1
125.13300	3.2
135.11702	71.4
137.13255	5.2
139.11211	3.4
149.13260	29.5
151.14839	5.5
157.12251	3.7
163.14799	11.9
165.16379	4.2
187.13338	5.0
199.23611	2.9
205.19640	3.1
225.14857	4.7
247.24225	64.5
248.02116	3.2
265.25250	100.0
275.20035	6.0
283.26315	15.8
293.21097	61.0
307.22473	3.2
321.26099	3.0
339.28925	65.2
357.23672	3.7
357.30032	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	357.2998
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
51.83530	1.8
55.01861	1.8
55.05519	40.8
57.03444	14.7
57.07077	36.6
67.05180	3.3
67.05513	64.4
69.07072	86.9
71.08640	22.8
75.04496	2.1
79.05499	29.0
81.07060	79.2
83.08623	83.6
85.10180	14.9
93.07042	45.5
95.08608	95.5
97.06534	23.6
97.10175	51.4
98.97618	2.2
99.08114	2.5
105.07001	1.9
107.08590	44.4
109.10160	45.4
111.08089	15.3
111.11706	16.0
121.10146	82.6
123.11715	14.3
125.09611	10.5
135.11699	69.5
137.13239	4.4
139.11189	8.0
149.13277	27.3
151.14888	4.2
163.14819	9.5
165.16347	4.7
177.16351	2.2
181.67328	2.1
191.17969	2.8
247.24181	62.2
252.17047	1.9
265.25250	100.0
273.00339	2.3
274.61383	2.1
283.26318	13.5
292.94727	3.7
310.96078	2.3
339.28928	78.7
357.29932	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	357.2997
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
52.27943	2.4
53.00323	2.7
55.05518	29.4
57.03437	7.0
57.07085	34.7
67.05506	56.2
69.07071	74.7
71.04996	4.4
71.08636	25.4
79.05494	36.4
81.06628	3.4
81.07065	72.7
83.08628	65.4
84.41501	2.8
85.06549	4.3
85.10181	18.5
93.07039	45.2
95.08608	80.8
97.06514	21.8
97.10163	43.7
107.08595	33.9
109.10149	47.9
111.08069	4.7
111.11699	6.2
114.06838	3.4
121.10137	84.6
123.11691	12.5
125.09636	6.2
125.13353	3.0
126.48251	3.1
135.11679	71.2
137.13310	3.4
149.13226	28.7
151.14854	3.8
155.09688	3.5
163.14835	6.2
165.16364	5.7
177.16478	5.4
247.24182	56.3
265.25247	100.0
283.26508	10.9
308.91025	3.2
334.04376	3.2
339.28922	67.8
346.27341	3.0
357.30023	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	358.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
59.15202	1.0
65.93702	0.9
66.10426	0.8
70.06586	11.4
72.08161	1.7
75.77027	0.9
84.04501	4.2
84.08132	4.1
85.66714	1.0
86.09713	20.4
99.41013	0.9
102.05561	1.5
103.77303	0.9
110.07163	2.0
112.05110	1.4
115.83800	1.1
116.07085	13.1
129.10237	4.8
179.06958	1.7
196.09689	2.1
215.13831	1.9
218.15353	1.0
243.13429	4.9
244.74529	0.9
249.09538	1.0
358.08963	100.0
358.15671	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	358.092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00187	0.2
53.89574	0.2
57.51114	0.2
58.06607	0.3
60.60399	0.2
62.68904	0.2
63.22909	0.2
70.06598	4.4
72.08161	0.4
78.35738	0.2
81.41115	0.2
84.04507	0.5
84.08147	0.2
86.09693	1.7
102.05540	0.4
116.07079	1.4
117.07483	0.2
132.10222	0.5
133.06519	0.3
137.05978	0.3
149.05919	0.3
151.07585	1.0
162.09116	0.5
177.05519	0.8
181.09740	1.1
190.08583	2.2
191.09416	2.0
192.10243	0.3
197.13016	0.3
208.09691	4.2
209.09241	0.5
218.05925	0.5
224.07054	1.5
225.07706	1.7
226.08655	0.4
229.15622	0.2
237.09244	0.3
239.05754	0.3
241.07330	0.2
253.07297	5.9
254.08119	7.1
257.06833	2.0
268.06030	1.1
269.06943	0.2
270.07596	3.0
277.08875	0.2
280.06128	0.3
281.06860	4.0
281.11685	0.3
282.07611	1.9
284.09088	0.3
286.07114	7.0
291.10132	0.4
293.11868	0.2
298.07089	37.6
309.11249	1.4
312.08707	0.5
314.10175	0.4
317.12079	0.3
326.06577	5.8
340.08221	2.7
340.15326	3.3
340.18356	0.3
358.09213	100.0
358.15958	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	358.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79417	1.0
56.18056	1.0
57.76468	1.1
60.08997	1.0
70.06585	5.0
72.08158	2.1
84.08121	1.9
84.84496	1.3
86.09721	6.3
91.05467	1.5
91.07070	0.9
91.77931	1.1
110.07191	1.2
115.12539	1.0
119.04939	8.6
120.05254	10.2
129.10236	2.0
137.05962	2.4
147.04416	57.0
147.05586	1.8
148.04747	87.3
149.05963	7.8
151.07529	12.0
165.05527	1.7
177.05467	2.5
190.08627	36.9
191.09387	32.2
192.10219	6.9
194.05319	1.5
195.01540	1.1
195.05455	1.4
196.05775	1.2
200.45444	1.3
208.09683	14.0
235.07629	1.2
239.07005	1.3
249.09097	2.5
267.10220	1.8
277.08594	14.5
325.13205	5.2
340.15372	5.8
358.16479	100.0
358.20111	3.9
373.37094	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	358.1648
Annotation	Deacetylcolchicine
Peak:m/z	Relative Intensity
58.06609	60.6
60.94010	0.4
64.09223	0.4
69.07063	0.9
70.06596	4.2
72.08167	3.9
84.04521	0.5
84.08134	0.8
86.09696	4.8
88.07632	1.1
89.98949	0.5
92.21515	0.6
96.08136	2.2
109.84246	0.5
114.09157	11.8
114.09893	0.7
116.07099	2.5
120.08134	0.5
126.06606	0.5
129.10243	0.9
132.10226	1.1
147.04372	0.7
148.04782	1.9
149.94803	0.4
152.20554	0.5
178.05887	1.0
207.08064	0.9
209.16502	1.0
215.13843	0.5
217.06461	0.8
220.05164	0.5
221.06023	2.2
225.09341	0.5
227.17578	2.8
228.15945	8.3
235.07544	4.7
238.06305	0.6
239.07021	1.0
245.18600	3.8
249.05498	0.6
253.08554	9.0
263.07037	14.9
266.05743	1.9
280.06787	0.5
281.08096	14.5
283.83160	0.5
285.07605	2.6
285.11237	2.2
295.09671	5.6
298.08435	4.1
308.12796	0.9
313.10678	14.4
335.09991	0.6
340.15298	2.4
340.25900	0.9
341.24332	1.0
358.16495	100.0
358.26767	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	358.1647
Annotation	Deacetylcolchicine
Peak:m/z	Relative Intensity
50.67006	0.6
53.30325	0.7
54.12516	0.7
55.87065	0.6
56.85368	0.7
75.03950	0.6
85.20881	0.7
94.67312	0.7
110.53327	0.8
116.94250	0.7
120.39458	0.7
121.89142	0.7
137.05978	1.6
149.06012	6.7
151.07536	12.1
177.05511	3.1
179.09540	1.0
180.10083	1.4
190.08640	31.6
191.09416	28.3
192.10220	4.4
195.08244	0.8
208.09671	14.0
235.07607	1.5
239.10841	1.0
249.09123	4.0
267.10202	1.8
277.08612	11.9
308.12796	1.3
325.13263	1.6
327.12067	1.0
340.15564	5.8
343.14136	0.8
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	358.1646
Annotation	Deacetylcolchicine
Peak:m/z	Relative Intensity
54.74534	0.8
58.06607	63.6
58.17894	0.7
60.05664	1.0
70.06609	1.3
73.50265	0.8
76.05116	0.9
84.08128	1.2
88.07632	4.9
130.08684	1.0
172.06024	1.5
217.06525	2.1
219.87769	0.9
220.05176	1.1
221.05974	5.2
223.67686	0.8
235.07559	8.1
249.05420	1.0
253.08611	7.7
257.08054	1.3
263.07004	32.1
277.08899	1.4
281.07986	4.2
285.07529	6.0
285.11237	6.7
295.09631	18.9
308.12784	1.6
313.10690	12.8
338.67102	1.2
340.15308	7.3
358.12778	5.8
358.16495	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	358.1649
Annotation	Deacetylcolchicine
Peak:m/z	Relative Intensity
56.05042	0.6
58.06601	3.0
62.55219	0.5
65.95627	0.5
68.61021	0.6
70.06594	4.6
72.04520	0.7
72.08162	1.3
74.06066	0.8
76.05106	1.1
86.06120	0.7
86.09691	1.5
96.05630	1.0
102.05566	0.9
129.10176	0.7
130.08655	3.8
137.05969	3.6
147.07996	0.7
148.66177	0.7
149.05962	5.0
150.06613	0.7
151.07547	11.1
165.05476	0.7
167.07039	1.6
176.07057	9.8
177.05431	2.7
177.07817	0.9
178.08627	1.3
180.10194	3.6
181.08551	1.5
190.08630	35.2
191.09410	19.8
192.10231	3.7
194.08122	3.0
195.08043	1.2
207.08093	1.1
208.09663	7.3
220.14516	0.8
220.26759	0.7
235.07603	1.2
237.09033	0.9
248.13847	1.4
249.09102	6.7
267.10016	2.4
277.08578	8.3
278.09515	2.6
297.11200	1.1
299.12778	1.5
309.11093	2.8
324.12408	2.9
325.13049	1.5
336.11050	0.8
340.11896	1.0
340.15375	7.1
340.18832	2.5
358.16449	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53622	0.3
56.05059	0.4
58.06609	100.0
70.06593	6.7
70.48965	0.3
72.08159	8.9
74.06087	4.0
84.04493	0.5
84.08144	0.4
85.02892	0.6
86.06066	0.5
86.09705	3.3
90.06229	0.4
114.09172	2.0
115.09527	0.6
116.07118	0.8
119.87706	0.4
129.10295	0.8
131.11812	0.5
132.10275	0.4
136.03928	0.7
140.50572	0.4
178.05031	2.1
184.06615	0.7
196.06075	1.7
196.14656	0.4
227.06947	3.9
227.17476	0.8
228.17793	1.5
230.07088	0.9
231.07407	1.8
243.13391	0.5
255.06595	1.6
259.09738	0.7
272.08167	0.5
273.08432	1.9
285.11365	0.9
287.09152	4.7
296.94894	0.4
317.11188	0.4
358.16464	51.0
358.28558	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	358.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58892	1.3
51.22984	1.1
55.02100	1.2
56.05043	2.7
57.03429	1.2
67.05508	6.4
67.40673	1.4
69.07063	5.8
81.07057	26.7
83.08612	2.6
84.04507	100.0
91.05479	3.4
93.07104	1.5
102.05539	76.0
105.07040	8.4
107.08598	3.2
119.08566	9.8
121.10128	9.4
123.11701	19.1
130.05003	81.6
145.02635	1.3
147.11688	32.9
148.04204	1.7
148.06033	39.9
165.12767	16.1
196.09761	1.6
210.14816	2.9
229.14331	9.3
294.17001	12.9
312.18021	10.0
340.17499	33.6
358.18616	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	358.2586
Annotation	(9Z)-3-hydroxydodecenoylcarnitine
Peak:m/z	Relative Intensity
52.92540	4.8
55.05512	27.5
57.03430	48.3
57.03667	6.1
67.05509	86.9
69.03416	7.8
69.07077	62.9
71.04991	10.1
79.05492	83.7
81.03425	36.5
81.07056	97.5
82.06606	7.8
83.04977	33.3
83.08624	43.5
85.06517	8.3
91.05459	41.6
93.07043	100.0
95.04963	35.4
95.08580	74.4
97.06537	55.7
97.10172	31.0
105.07025	30.6
107.04987	7.4
107.08598	47.3
109.06518	47.1
109.10155	35.7
117.06986	26.5
119.08571	37.6
121.10126	65.5
123.08062	60.8
125.09615	29.2
129.07040	8.7
131.08534	28.9
133.10158	31.1
135.08043	9.2
135.11668	11.8
137.09608	30.8
139.11200	15.3
145.10173	15.8
147.11726	28.7
149.09628	16.4
159.11722	9.1
163.11249	8.1
173.11731	12.6
177.12924	8.0
179.14272	10.7
186.14853	11.9
203.12689	9.0
205.12289	8.4
214.18095	12.1
273.18414	8.2
280.77209	7.0
291.19574	29.8
305.21106	13.8
323.22177	10.2
340.24567	10.4
358.25983	66.7
358.29871	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	358.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.2
55.05513	13.4
57.03437	14.9
57.07071	4.0
67.05508	47.8
69.07077	41.7
71.04989	15.0
71.08600	2.3
73.02921	2.7
79.05498	29.8
81.03421	38.1
81.07071	52.4
83.04977	15.9
83.08617	14.4
85.06547	12.8
91.05474	28.4
93.07058	50.4
95.04976	38.7
95.08601	36.5
97.06537	100.0
97.10188	4.0
98.51385	2.8
98.51958	2.6
99.08112	4.9
105.07046	20.8
107.04942	11.4
107.08588	23.4
109.06528	24.6
109.10176	12.8
111.08072	5.9
113.06015	10.0
115.07597	5.0
117.07027	13.1
119.08588	27.1
120.66434	2.9
121.06493	4.0
121.10148	28.5
123.08092	4.0
129.07025	4.5
131.08572	24.5
133.10115	19.4
135.08047	14.6
135.11705	14.5
137.09674	3.2
143.08548	6.2
145.10129	15.6
147.08055	5.8
147.11635	18.0
149.09581	4.9
149.13274	5.8
157.10098	11.2
159.11662	11.2
165.09216	2.8
165.12685	3.2
169.10201	3.3
173.13200	3.7
175.11154	5.2
177.12762	12.6
183.11717	4.2
187.11259	3.7
193.12218	12.4
195.13805	3.8
200.16481	11.6
201.12814	4.6
209.13429	2.9
225.14832	3.5
245.19151	3.7
255.17448	3.0
273.18399	22.7
291.19482	11.2
305.21094	11.7
305.24582	2.7
323.22229	4.2
358.29614	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	358.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96263	3.6
53.23603	3.8
55.01886	6.5
55.05519	21.8
57.03432	6.9
66.87751	5.0
67.05514	39.8
69.07072	23.8
71.04993	11.4
73.02917	4.4
78.22226	4.6
79.05494	44.2
81.03429	70.4
81.07062	100.0
83.04980	26.2
83.08606	31.1
91.05486	31.8
93.07050	52.5
93.07542	4.6
95.04982	44.1
95.08601	26.0
97.06533	31.6
97.10174	7.7
99.08116	6.9
105.07053	35.9
107.04952	10.7
107.08604	40.6
109.06537	44.4
109.10189	10.3
111.08082	11.0
117.06998	7.2
119.08577	22.4
121.10149	34.8
123.08058	23.9
125.09625	19.0
129.07025	18.0
131.08583	25.6
133.10133	23.7
135.08018	5.6
135.11696	9.3
137.12425	4.8
139.11235	6.1
145.10127	18.8
147.11700	27.1
149.09644	22.8
156.09457	5.1
157.10124	19.7
159.11726	5.9
167.22826	5.2
173.13135	5.5
175.11182	24.5
177.12747	6.5
193.12248	91.9
195.13638	5.6
225.14925	65.8
257.40387	4.9
273.18503	10.8
291.19467	8.5
305.21213	10.8
323.22232	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	358.2584
Annotation	(9Z)-3-hydroxydodecenoylcarnitine
Peak:m/z	Relative Intensity
51.58656	1.9
55.01878	3.1
55.05320	1.7
55.05529	24.1
55.05759	2.9
57.03448	6.0
59.07683	2.1
63.20444	2.4
63.87962	1.8
67.05230	2.2
67.05518	35.0
68.01218	2.3
68.32977	2.8
69.07067	15.8
71.04986	11.3
73.06575	2.7
79.05495	20.4
81.03426	11.9
81.07067	40.2
83.04977	4.6
83.08628	24.7
85.06548	2.8
86.98834	2.1
91.05488	14.6
93.07044	25.1
95.04973	15.0
95.08617	32.6
97.06537	10.2
97.10175	17.7
99.08069	3.9
102.32242	2.3
105.07035	11.9
107.05002	4.4
107.08601	22.5
109.06520	10.6
109.10152	22.4
111.04460	2.4
111.08097	9.9
116.46404	2.6
117.07029	3.4
119.08588	17.4
121.06496	5.5
121.10145	15.0
123.08066	14.8
125.09635	14.9
129.06984	2.7
131.08546	3.2
133.10118	20.7
135.08066	3.3
135.11707	12.7
137.09631	11.8
139.11098	3.5
143.08597	4.2
145.10092	10.0
149.09605	9.4
153.09122	2.8
155.10657	9.5
156.10213	5.4
157.09993	3.5
158.09659	2.9
161.09637	9.8
163.11205	5.9
166.87106	3.0
173.11679	9.9
177.12766	2.9
179.10628	4.8
181.12193	3.0
183.09972	2.8
187.13264	5.6
189.11159	3.7
191.39627	2.3
193.12265	3.0
199.13136	3.7
240.29546	2.4
273.18384	10.1
291.19553	23.1
295.24396	2.6
305.21063	11.2
323.22131	31.5
328.18875	67.7
343.21207	49.9
358.23544	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2698
Annotation	Ile Leu Leu
Peak:m/z	Relative Intensity
51.14890	0.2
51.41547	0.3
52.36046	0.2
55.72863	0.2
56.05031	0.4
59.80830	0.3
62.26968	0.2
65.99433	0.2
69.07074	1.7
70.06585	0.4
71.04935	0.3
76.05125	0.4
78.53441	0.3
80.64818	0.3
81.07095	0.3
86.09707	100.0
91.05499	0.3
92.20973	0.5
92.23060	0.3
114.09196	0.4
116.08202	0.6
132.10197	0.6
137.05978	0.4
163.45776	0.4
164.08311	0.5
165.09148	0.5
179.05698	0.3
194.08145	1.6
199.18050	23.0
227.17528	22.1
245.18637	2.5
257.32166	0.3
310.21606	3.3
313.72559	0.3
340.15305	1.0
358.16327	3.9
358.23489	4.6
358.27197	2.1
368.24423	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	358.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13813	0.3
55.01881	0.4
65.44556	0.3
69.07062	1.9
80.68943	0.3
84.08143	0.8
86.09707	100.0
90.23583	0.3
93.22388	0.3
95.08600	0.4
132.10207	0.7
137.06012	0.4
138.06329	0.5
157.25166	0.3
165.36790	0.3
199.18045	20.4
227.17517	20.8
245.18607	2.3
258.34036	0.4
310.21634	0.6
358.16501	0.5
358.23425	1.7
358.27130	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	358.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80240	8.3
55.05518	27.3
57.07068	8.4
58.40496	7.4
67.05513	82.4
69.07066	34.7
70.23325	6.1
71.04993	77.5
71.08634	7.3
79.05485	37.5
81.03429	11.3
81.07059	98.6
83.04949	9.0
83.08618	36.9
91.05495	27.6
93.07050	71.0
95.04967	10.1
95.08611	56.5
97.10159	27.0
97.62518	7.2
100.57531	7.2
105.07030	13.0
107.08599	36.8
109.10169	100.0
119.08589	30.9
121.10116	33.8
123.11698	8.0
123.28511	8.0
129.09126	36.1
133.10138	10.5
135.07948	7.7
135.11662	7.9
135.99092	8.6
137.09624	11.7
139.02263	7.4
147.11685	15.3
155.10670	17.5
155.14326	39.6
173.11746	62.0
187.13327	60.6
203.12799	12.0
277.21710	58.3
291.23245	16.3
309.24231	13.6
311.56534	7.9
358.33035	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	358.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72585	3.1
55.05520	4.0
57.05359	3.8
62.06097	100.0
67.05515	15.3
69.07079	4.5
71.08615	4.9
79.05489	7.5
81.07057	24.1
83.08656	4.6
85.10151	6.2
93.07055	5.8
95.08596	20.5
105.07039	6.8
107.08609	6.1
130.82918	4.5
135.11787	4.1
185.90092	4.0
212.45004	3.8
219.75076	3.9
322.27435	66.2
331.80304	4.3
340.28342	34.9
358.29367	18.7
365.90466	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	358.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.4
57.07081	2.6
62.06094	100.0
62.36026	1.8
67.05503	13.7
69.07063	9.0
71.08626	5.1
76.79977	1.9
78.54329	1.9
79.05495	3.6
81.07077	20.2
83.08624	3.3
85.10201	3.8
91.05453	3.0
93.07037	4.0
95.08591	20.6
99.08071	3.5
107.08599	5.1
109.10152	11.4
113.09665	3.4
119.08559	3.1
121.10170	8.4
122.59376	2.1
126.64912	2.2
127.50807	2.4
135.11714	8.1
147.11684	9.5
149.13283	2.2
183.70682	2.3
221.29204	2.4
228.19539	2.8
322.27438	69.4
323.25690	3.4
327.40811	2.6
340.28436	45.3
358.19000	2.9
358.29559	18.6
370.65704	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	358.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07088	3.6
62.06076	0.3
70.06274	0.3
70.06596	4.8
71.08615	2.4
76.09728	0.3
76.35467	0.3
76.87570	0.2
85.10171	1.2
88.07629	12.2
94.46719	0.3
102.09179	3.4
106.08670	10.3
144.54082	0.3
188.01170	0.3
269.52194	0.3
279.58871	0.3
314.34076	1.2
340.35699	9.4
358.36774	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15165	0.5
57.84758	0.5
67.74860	0.6
69.19268	0.5
88.42187	0.6
137.06032	0.9
238.31398	1.0
273.99600	0.7
300.08786	0.7
315.14081	4.7
359.13110	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.8
63.02361	0.3
65.03962	0.5
67.05476	0.5
68.01958	0.4
72.95696	0.4
79.05492	2.5
81.07068	5.9
85.06520	0.5
91.04958	0.7
91.05487	13.2
93.07037	5.3
94.04191	1.0
95.04971	2.6
95.08620	0.5
97.02904	0.9
103.05460	4.1
105.03383	2.9
105.07033	8.2
107.04959	3.9
107.08589	0.9
109.06521	12.7
111.08083	0.5
115.05468	0.7
117.07034	1.1
119.04941	23.3
119.08596	2.2
121.06508	4.9
122.03655	1.8
123.08093	0.9
124.05220	0.5
127.07552	0.5
129.07031	1.0
130.04181	0.6
130.06540	4.0
131.04919	3.9
132.05644	0.5
132.08081	2.7
133.02817	0.9
133.06502	7.2
137.05980	100.0
143.04951	1.0
144.08057	0.4
145.06490	2.3
146.06004	6.9
146.07077	0.8
147.04410	12.5
147.08040	2.8
147.11765	0.6
149.05965	9.0
150.06816	1.5
151.07539	11.1
157.06471	0.9
157.07645	0.7
159.07997	2.8
159.09164	25.9
160.05135	0.6
161.05974	24.0
162.06763	9.3
163.07585	2.4
165.05476	0.6
167.07047	0.7
169.07608	0.7
170.06062	1.8
172.05194	1.1
175.07532	24.1
175.09026	0.9
179.07027	9.1
187.07491	13.2
188.07062	22.3
190.06299	1.7
191.08604	1.8
193.08621	7.6
195.08138	0.5
203.08588	1.1
205.08394	11.3
207.08162	0.7
217.08636	1.7
219.08035	5.6
219.10052	1.3
225.09100	0.7
231.08011	3.4
235.07565	0.7
235.09662	2.6
236.08321	0.5
237.09120	0.7
247.07545	2.4
248.08380	0.9
251.06866	0.5
251.10683	4.7
253.08611	1.7
259.07584	1.9
260.23416	0.5
263.10654	1.0
265.08514	0.8
266.09277	0.5
267.14874	0.6
269.11746	1.0
277.13416	0.7
279.10110	4.1
291.10147	4.1
295.14413	4.8
296.10486	3.4
297.11227	0.6
308.10403	0.5
309.11377	3.3
311.12695	6.1
313.15451	16.0
315.12506	0.5
323.13715	5.6
329.13882	3.2
341.14868	9.2
359.15912	5.1
359.23245	0.6
359.27429	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	359.16
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05049	0.8
60.75636	0.5
61.99716	0.5
66.29908	0.6
67.05499	0.7
73.82314	0.6
74.06089	1.1
79.05499	1.3
81.07066	15.1
91.05489	4.3
92.83782	0.6
93.07048	8.7
95.04956	1.2
109.06519	23.8
118.06505	1.3
119.04928	5.6
120.06565	0.9
127.07542	3.1
130.06519	12.9
132.08087	8.7
137.05984	32.8
142.06506	0.8
144.08113	4.6
146.06017	21.5
152.95499	0.9
159.09174	100.0
160.07397	0.9
162.05322	0.6
169.07590	3.0
170.06053	7.6
173.48230	0.6
177.09837	0.7
185.07158	0.9
187.08670	6.2
187.80200	0.7
188.07059	73.2
197.61372	0.6
205.09734	18.5
212.09103	1.0
220.75214	0.6
225.65628	0.8
249.13799	0.8
254.45287	0.6
260.10748	1.0
267.14883	0.7
277.13367	4.3
278.11670	1.4
295.14441	11.5
313.15457	48.9
323.13962	13.3
341.15018	17.8
341.19748	0.9
359.11810	0.9
359.15976	14.0
359.22806	1.0
369.43912	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	359.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75337	0.4
50.90484	0.6
53.15796	0.5
54.25099	0.5
55.87264	0.5
56.67764	0.5
67.05515	2.6
74.58546	0.5
78.76751	0.5
79.05495	2.4
81.07064	15.1
85.02898	0.7
85.06548	1.3
91.05467	3.7
91.14326	0.5
93.07024	4.7
109.06525	18.4
113.09688	0.5
118.06571	2.3
119.04939	2.6
127.07562	3.1
130.06526	12.5
132.08095	10.1
133.06377	0.6
137.05978	34.7
142.06541	0.9
144.08083	3.4
146.05994	19.1
154.08662	0.7
157.07639	0.7
159.09169	100.0
160.07562	1.2
169.07620	3.9
170.06000	9.7
183.09039	0.7
185.07076	10.8
187.08661	7.5
188.07063	51.9
196.07509	0.7
205.09792	5.9
211.08730	2.0
211.23940	0.6
212.09079	0.9
222.12814	0.6
228.71295	0.5
236.10677	0.9
238.21846	0.8
253.13109	0.7
267.14746	0.8
277.13257	6.6
278.11749	1.3
295.14395	20.5
312.29572	0.6
313.15442	54.6
323.13898	13.3
341.14944	19.5
359.16092	10.3
359.20181	1.5
359.27466	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	359.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62754	0.2
52.94821	0.2
57.03432	0.5
61.02922	0.5
61.16148	0.2
67.05495	0.4
69.03421	2.4
69.07053	0.6
69.42541	0.2
70.33315	0.3
71.04987	0.2
73.02912	0.4
75.38445	0.2
78.05773	0.2
79.05481	0.6
81.03418	1.0
81.07052	0.6
81.78797	0.2
85.02907	8.2
86.09705	5.0
87.04444	0.4
91.05470	1.1
91.77371	0.3
93.07048	2.0
95.08580	0.4
97.02872	2.2
105.07021	1.5
107.08592	20.8
109.02864	1.8
109.06528	0.5
109.10161	1.1
110.42860	0.3
114.09184	0.4
119.08590	2.5
121.06499	0.3
121.10134	4.0
123.11716	1.1
124.07580	0.4
127.03878	1.8
129.10246	0.3
133.10139	9.6
135.11670	0.3
137.05942	0.4
137.09637	0.5
138.05499	0.4
139.07544	1.5
140.83810	0.3
145.04932	1.0
149.09608	3.3
151.07446	0.9
151.11168	7.5
161.09619	4.1
166.08627	0.6
167.10661	17.2
179.10655	19.9
197.11723	100.0
228.13464	0.5
246.14670	0.3
303.13290	2.1
308.30304	0.3
359.12613	0.6
359.16776	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	359.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05046	0.7
57.14425	0.7
61.02924	1.3
62.74655	0.6
66.02638	0.6
69.03423	4.2
70.06593	1.6
72.08151	1.6
72.52175	0.6
81.03397	0.9
85.02910	29.3
86.09720	6.3
91.05509	2.2
92.72262	0.6
93.07022	5.6
95.04967	1.5
97.02883	6.7
99.04453	1.0
105.07036	1.4
107.08599	15.9
109.02891	2.8
109.06542	1.2
109.10184	0.8
119.08635	1.1
121.06475	0.8
123.04446	0.7
124.07571	1.1
127.03931	6.4
133.09222	0.8
133.10133	15.5
135.11688	23.4
137.05959	1.4
137.09619	1.5
138.05507	0.9
143.11838	0.8
145.04913	1.5
151.11148	1.3
157.22095	0.7
161.09619	14.4
179.10666	49.3
189.12419	1.0
197.11728	100.0
199.96327	0.6
359.12552	2.3
359.16870	6.1
359.22055	0.7
380.50739	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	359.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.1
56.05045	7.4
58.04085	1.2
60.04528	1.7
67.04270	1.2
67.05508	1.9
68.05024	2.4
70.48016	0.9
71.04988	1.6
72.04508	2.2
74.02439	4.0
74.06086	7.6
76.05135	2.4
80.05048	1.0
81.04572	2.9
81.07062	1.6
83.06085	1.7
84.04499	1.4
88.05106	1.2
95.04954	12.4
95.08620	1.7
96.05598	22.0
102.05561	7.0
108.05619	6.2
108.06535	1.0
109.06445	1.9
110.07156	6.7
112.05090	17.5
113.09523	1.3
116.08242	1.4
116.10704	1.2
118.05025	2.1
120.06567	4.3
122.07147	1.0
125.05975	1.1
126.06651	6.3
128.08191	5.5
131.05051	1.1
138.12695	1.5
146.58923	1.0
150.12793	1.1
151.11198	1.7
175.25063	1.0
184.14456	1.8
191.14156	1.3
208.14503	1.3
213.19096	1.0
219.61620	1.3
226.15485	24.3
227.75221	1.1
258.18137	10.0
314.20844	1.2
327.20279	22.3
337.67465	1.1
349.42883	1.1
359.22873	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	1.0
56.05044	6.3
62.60531	0.7
67.04239	1.3
67.05513	1.6
68.05026	3.4
69.04546	1.5
69.07091	1.0
71.04982	1.0
72.04524	3.3
74.02444	4.6
74.06093	6.1
76.05112	3.0
77.69456	0.6
80.04998	0.9
81.03458	0.8
81.04534	3.6
83.06115	1.4
83.08615	1.0
84.04504	1.2
84.05622	0.7
87.08239	0.6
88.05098	1.0
95.04975	18.4
95.06062	0.8
96.04542	1.1
96.05627	19.0
98.07169	0.9
99.08013	1.1
102.05565	9.0
103.92545	0.6
107.08624	0.7
108.05606	7.3
109.06406	3.1
110.07176	7.0
111.05543	0.8
112.05099	19.7
116.08221	1.5
118.05029	1.6
120.06569	1.5
122.07186	0.8
124.05064	1.0
126.06631	10.4
128.08202	5.7
128.70914	0.7
134.07178	1.1
138.06581	0.7
138.12782	1.1
140.10725	1.4
142.06171	1.0
150.12793	1.3
151.11192	1.3
152.74799	0.7
165.13864	1.3
170.09265	1.5
175.29649	0.8
208.14499	1.8
210.15927	1.3
226.15500	28.8
258.18140	8.9
284.68036	1.2
293.68707	1.1
314.20773	1.4
327.20279	28.9
359.22934	100.0
371.83160	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	359.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.9
55.70378	0.6
56.05038	8.1
59.33783	0.7
66.53142	0.7
67.04263	0.9
67.05514	1.2
68.05025	3.4
69.04570	0.8
69.07050	1.3
72.04508	3.3
74.02440	4.3
74.06069	6.1
76.05109	1.7
81.04546	3.9
83.06093	2.1
83.08611	1.6
84.04476	2.8
87.39136	0.8
88.05126	1.3
95.04967	17.0
96.05614	20.2
99.07985	1.2
102.05524	6.8
108.05572	4.5
109.06380	3.9
110.07183	6.2
112.05080	19.9
116.08202	1.8
118.05044	1.6
120.06583	1.4
126.06644	9.6
128.08269	2.8
138.12674	1.0
139.11194	0.9
142.06082	1.4
146.10240	0.8
151.11194	1.9
198.18576	1.0
211.65274	0.8
226.15491	27.6
228.13785	1.2
258.18073	11.0
293.68665	1.9
327.20206	28.3
359.22903	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	359.265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05545	1.1
56.05040	4.7
57.07072	1.2
65.56731	1.1
67.05483	1.7
67.16338	1.0
69.04553	17.1
71.04990	4.5
71.08627	1.1
72.04503	2.3
74.02438	2.4
74.06081	6.2
76.84895	0.9
81.07066	2.1
83.08636	2.4
84.04542	1.1
84.08163	1.2
95.08594	3.9
96.05620	31.5
99.07974	2.6
102.05548	7.0
110.07125	3.8
111.08018	1.3
116.08228	7.8
118.05026	1.8
120.06580	2.4
123.11655	1.1
128.08215	5.3
135.07622	1.6
142.09818	1.7
142.15891	2.6
158.15390	16.2
166.15901	1.3
168.17471	6.4
175.96854	1.1
184.14398	2.2
184.16890	1.3
208.18123	6.2
210.19653	2.6
226.19119	75.5
228.17932	1.2
242.17528	2.6
258.21716	7.9
266.22070	1.0
282.21588	3.2
302.96771	1.1
310.21283	9.5
327.23865	51.1
359.26550	100.0
363.58060	1.2
373.85284	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	359.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66627	0.5
55.05508	2.5
56.05033	1.0
58.06581	0.7
60.52051	0.5
69.62690	0.6
70.06595	2.2
72.08157	24.5
84.04512	1.2
84.08146	100.0
85.06547	0.8
85.40987	0.5
86.09705	35.8
87.10059	0.6
88.03944	0.5
101.10775	7.8
102.05573	0.6
102.09165	0.7
112.07606	0.9
114.12348	0.6
116.07091	3.6
117.07412	2.2
129.10240	94.3
130.08632	0.6
133.06104	1.3
138.12810	2.6
144.06636	1.1
147.07651	1.2
147.11348	0.7
157.13411	0.6
161.09206	1.1
171.14911	0.6
183.14922	11.1
185.16528	3.7
199.18124	3.8
200.17596	1.2
210.16035	2.9
211.14421	1.2
213.15965	6.5
227.17549	4.6
228.17126	6.2
229.15384	0.6
231.17024	3.0
246.18156	1.1
342.24011	1.0
359.12610	1.0
359.26538	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	359.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.6
55.89126	0.4
56.05042	0.6
58.06608	13.7
58.57331	0.5
59.06938	2.2
60.05647	0.5
69.07080	0.7
70.06591	3.5
72.08163	15.0
74.06039	0.7
84.04503	2.0
84.08150	72.9
85.06546	0.6
86.09712	30.4
97.23100	0.5
101.10803	4.7
102.09161	0.7
110.06067	0.8
111.09199	0.5
112.07616	2.4
116.07061	0.6
117.97253	0.5
129.10246	100.0
130.08606	0.5
132.10245	0.5
133.06116	2.5
137.05901	0.5
138.12796	1.0
140.07024	0.5
143.11818	0.7
144.06584	2.5
147.07690	0.6
147.11296	1.0
153.10236	3.3
161.09219	2.5
166.06114	1.1
171.11298	5.9
171.14908	0.6
183.14912	7.1
189.12340	2.7
199.18156	2.1
200.17670	0.6
210.16095	1.2
211.14363	0.9
227.17564	3.1
228.17044	4.5
253.12994	0.8
266.18646	2.0
284.19678	2.1
359.11563	3.6
359.16797	6.2
359.22797	11.2
359.26559	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	359.3153
Annotation	CHEBI:79294
Peak:m/z	Relative Intensity
55.05528	5.4
57.03450	4.3
57.07087	73.9
66.77352	4.0
67.05504	7.0
69.07075	6.2
71.08640	52.3
81.07063	19.9
83.08601	7.3
85.10176	30.7
95.08606	47.9
97.10185	17.7
109.10165	20.0
123.11810	4.0
124.42960	4.6
249.25734	4.8
267.26785	33.9
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	360.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	0.6
62.58408	0.5
70.06597	1.3
72.08151	0.9
79.05473	0.6
84.08142	0.9
86.09708	100.0
87.05580	0.7
87.10006	0.6
88.03991	3.8
107.44577	0.6
127.03919	0.7
132.10225	11.5
141.10258	1.4
143.21298	0.6
145.25964	0.6
156.10211	0.8
157.13339	0.7
159.67088	0.6
166.08595	2.7
183.11304	9.0
187.10794	1.3
201.12364	15.8
201.14197	1.1
212.09224	2.7
229.11823	31.5
241.81314	0.6
247.12878	11.2
342.19943	0.9
360.13559	2.6
360.21115	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	360.2125
Annotation	Ile Asp Ile
Peak:m/z	Relative Intensity
56.05022	0.6
62.58408	0.5
70.06597	1.3
72.08151	0.9
79.05473	0.6
84.08142	0.9
86.09708	100.0
87.05580	0.7
87.10006	0.6
88.03991	3.8
107.44577	0.6
127.03919	0.7
132.10225	11.5
141.10258	1.4
143.21298	0.6
145.25964	0.6
156.10211	0.8
157.13339	0.7
159.67088	0.6
166.08595	2.7
183.11304	9.0
187.10794	1.3
201.12364	15.8
201.14197	1.1
212.09224	2.7
229.11823	31.5
241.81314	0.6
247.12878	11.2
342.19943	0.9
360.13559	2.6
360.21115	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	360.2128
Annotation	Glu-Ile-Val
Peak:m/z	Relative Intensity
55.05516	1.3
56.05034	0.7
66.45171	0.5
67.14044	0.5
69.07069	3.5
69.73750	0.6
70.06596	29.7
72.08158	46.8
74.80853	0.6
84.04503	16.4
84.08154	0.8
85.02903	3.2
86.09708	100.0
87.10054	0.7
95.86437	0.5
97.02908	0.7
102.05547	19.1
118.08655	10.2
120.08112	1.1
127.03899	1.1
129.10234	0.6
132.10207	24.0
138.09160	6.2
147.04422	1.4
155.11801	2.4
156.10211	7.4
163.04001	0.6
183.09641	1.2
183.11285	37.1
185.16524	1.1
197.12881	3.1
201.12370	19.6
211.10809	4.4
213.15933	2.8
215.13913	12.7
217.13472	0.9
225.12332	1.2
229.11826	17.6
231.17029	2.2
243.13400	25.5
245.13022	1.4
247.12871	3.5
266.94775	0.7
323.98099	0.6
324.19083	1.2
342.20255	5.5
360.21545	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	360.2129
Annotation	Val Ile Glu
Peak:m/z	Relative Intensity
55.05524	4.2
56.99136	0.5
63.43796	0.6
63.44131	0.5
70.06593	1.1
72.08159	84.0
84.04506	2.8
85.02896	0.8
86.09708	100.0
86.81483	0.6
102.05555	1.4
108.36720	0.6
109.59496	0.6
130.04962	4.6
145.00995	0.7
148.06038	17.0
185.16489	31.8
203.35976	0.6
213.15981	40.3
214.59947	0.8
261.14432	12.3
360.21161	8.9
383.36432	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	360.2127
Annotation	Asp Leu Leu
Peak:m/z	Relative Intensity
54.42443	0.7
55.26060	0.7
58.54143	0.7
64.02464	0.6
69.03412	1.3
69.07076	5.6
69.35072	0.7
70.06603	1.2
70.72932	0.7
72.08162	1.0
72.11504	0.7
72.65356	0.7
84.08131	0.8
85.02911	4.0
86.09709	100.0
87.10030	5.1
88.03979	12.7
88.07631	1.1
95.04922	0.8
96.08092	0.9
98.02431	3.4
100.35689	0.9
110.09644	1.2
113.10830	0.8
115.05080	1.3
132.10190	7.5
133.06091	1.6
138.09122	1.3
141.10237	17.9
142.08598	1.5
143.11816	1.5
155.11812	1.0
156.10194	23.3
166.08582	1.7
167.53117	0.8
183.11282	7.2
184.09715	4.2
196.60646	0.8
201.12341	93.7
228.13445	1.0
229.11815	37.9
229.13615	2.1
245.18626	1.0
265.07477	0.9
342.20285	1.5
360.21204	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	360.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99432	0.5
66.57616	0.4
67.05480	0.7
82.32439	0.4
92.21263	1.0
93.07064	0.5
95.08604	0.7
101.87032	0.5
103.15697	0.4
160.62718	0.5
206.50188	0.5
278.30438	0.5
290.17264	1.1
360.25082	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28838	3.1
55.01875	4.2
55.05516	24.5
55.64284	3.9
57.03435	6.2
67.05512	39.1
69.07063	19.5
70.06599	5.6
71.04993	7.0
71.08671	6.7
76.44919	4.2
79.05495	26.4
81.03433	7.7
81.07056	37.8
83.04984	5.9
83.08624	24.5
87.04472	52.9
91.05458	9.4
93.07030	32.6
95.05002	7.4
95.08596	45.7
97.06600	5.0
97.10155	26.8
99.08055	7.2
105.07033	8.1
107.08587	26.8
109.10162	26.5
113.09634	7.4
115.08491	5.4
119.08582	10.1
121.10143	31.6
125.09615	28.8
131.08553	9.5
131.20461	4.4
133.10133	20.8
135.11667	8.1
137.09605	7.7
139.11194	7.7
145.10100	5.3
149.09662	10.0
151.11215	6.1
163.11209	18.4
173.11729	11.3
181.12134	5.7
187.13211	6.5
193.12161	6.9
209.11957	7.9
275.20111	10.7
293.21185	36.9
300.28900	10.6
318.23895	11.6
319.24344	100.0
325.23627	47.4
360.25140	23.0
360.31625	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	360.2742
Annotation	3-hydroxylauroylcarnitine
Peak:m/z	Relative Intensity
51.12170	2.4
55.05518	28.0
57.03431	3.9
59.04995	4.1
60.04519	21.3
64.70439	2.5
67.05508	53.0
69.07062	36.6
71.04993	100.0
73.06573	5.1
79.05499	63.5
81.07060	51.9
83.04961	3.1
83.08614	17.6
85.06547	4.6
87.08078	4.4
91.05476	22.7
93.07041	85.7
95.08607	38.5
97.06528	16.5
97.10160	39.9
105.07079	24.7
107.08600	61.5
109.06506	6.4
109.10154	83.6
111.08080	4.6
117.07017	4.9
118.46163	3.8
119.08589	26.5
121.10126	66.3
123.08052	3.8
123.11699	5.5
125.09624	33.2
125.82025	3.1
131.08522	13.8
133.10112	23.0
135.08034	5.0
135.11725	12.1
137.09628	6.9
144.54561	3.1
145.10112	14.4
147.11687	14.9
149.09608	7.0
153.12740	48.9
155.10660	27.4
159.11694	6.1
161.13266	4.0
172.76517	3.0
173.11740	81.4
189.11208	19.0
195.13881	4.3
227.16479	32.8
235.16963	15.0
257.19089	4.5
267.19528	11.8
275.20053	58.1
285.97632	3.7
293.20953	10.4
307.22833	6.0
360.27618	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	360.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	0.7
56.05040	0.6
59.03751	7.0
67.05506	1.7
69.07076	0.5
74.06083	100.0
79.05505	0.9
81.03410	0.5
81.07071	1.7
83.08602	0.8
83.73038	0.4
85.02905	0.5
86.06018	0.4
91.05474	0.7
93.07052	1.6
95.04959	0.8
95.08620	1.8
97.06532	0.7
97.10185	1.7
100.11201	0.4
107.04945	0.6
107.08619	0.8
109.06551	0.5
109.10161	0.9
111.08055	0.6
112.20444	0.4
113.06010	0.4
114.73430	0.4
123.08111	0.6
125.09669	0.9
127.90574	0.4
131.08597	0.6
147.11641	0.6
156.13820	0.6
170.70195	0.4
174.14894	22.6
186.14859	0.7
189.11284	0.5
207.13776	0.5
208.51314	0.5
210.15007	0.5
241.51492	0.4
259.63364	0.4
289.18051	0.7
332.42300	0.4
342.52002	0.4
351.10977	0.6
360.23651	1.9
360.27460	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	360.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84955	2.0
55.05516	13.5
55.14643	2.5
56.40902	2.2
57.07084	33.9
67.05508	65.4
69.07070	44.0
71.04990	6.5
71.08630	28.9
73.02917	9.5
73.34281	2.3
79.05492	14.1
80.18724	2.2
80.46595	2.2
81.07061	94.5
83.04979	12.0
83.08629	22.1
85.02890	3.5
85.06558	15.0
85.10178	11.5
88.71496	2.7
91.05479	5.9
93.07041	25.7
95.08608	90.8
97.06524	16.5
97.10171	11.4
105.07016	4.4
105.72791	2.7
107.08600	18.5
109.10156	37.8
111.08091	4.4
111.11758	5.0
119.08589	13.7
121.10143	29.0
123.08017	2.9
123.11697	14.9
127.11217	3.1
131.08575	4.8
132.32202	2.5
133.10130	14.9
135.11696	32.5
137.13255	11.6
139.11186	3.0
141.12752	3.2
142.79207	2.7
145.91476	2.6
147.11684	14.1
149.13239	10.7
153.12759	5.0
161.13249	5.5
165.12665	3.3
183.13788	3.3
186.14903	25.2
187.13304	11.6
200.16440	22.1
214.18028	3.1
289.25470	5.1
298.87674	3.0
306.27802	17.5
307.26297	70.9
316.84476	2.7
324.28961	100.0
342.30008	13.2
360.24731	50.9
360.31183	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	360.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	13.8
55.29356	2.4
56.33804	2.1
57.07083	28.5
65.71553	2.5
67.05507	62.4
69.07081	32.2
71.04995	4.3
71.08624	12.7
79.05497	14.3
81.07065	100.0
81.07545	3.9
83.04980	4.9
83.08630	26.4
83.68816	2.7
85.02882	2.4
85.06549	15.2
91.05481	11.4
93.07037	32.8
94.16788	2.8
95.08607	90.3
97.06539	13.2
97.10178	17.3
99.08110	4.9
104.95531	2.4
105.07024	12.1
107.08591	32.2
108.18670	2.4
109.10151	43.5
111.08088	12.0
111.11723	3.0
119.08591	13.5
121.10162	28.2
123.08042	4.4
123.11742	17.7
125.09646	4.3
127.11144	5.2
128.81459	2.7
131.08574	5.9
133.10107	25.3
135.08075	2.5
135.11656	24.0
137.09673	3.0
137.13240	3.0
139.11147	3.0
145.10040	3.8
145.29939	2.6
147.11684	22.4
149.13303	10.2
159.11678	13.5
161.13295	11.5
163.14813	2.6
165.12732	4.3
173.13298	5.4
184.16942	4.2
187.13321	3.4
195.13835	3.9
200.16451	26.1
214.18031	15.3
227.16457	5.8
228.19597	3.7
230.17503	5.2
235.16908	6.2
251.06732	2.5
267.19635	4.0
271.24078	4.5
275.19949	10.8
289.25192	11.4
306.27966	17.7
307.22934	5.6
307.26245	67.3
324.28967	75.8
342.30103	16.1
360.31116	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	360.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63647	1.5
52.50631	1.7
55.01878	3.3
55.05514	11.2
57.03445	2.0
57.07085	39.4
57.26404	1.4
57.55774	1.5
62.31999	1.6
62.55798	1.8
67.05510	53.6
69.07073	35.1
69.43132	1.6
71.04990	8.9
71.08624	12.9
73.06516	1.8
78.26019	1.7
79.05489	13.6
81.07062	95.9
83.05007	2.5
83.08628	22.5
85.02868	2.0
85.06546	16.4
85.10201	2.7
89.24853	1.7
91.05479	9.7
93.07057	21.5
95.08611	100.0
97.06551	14.8
97.10172	10.7
99.08088	3.7
101.50987	1.7
105.07040	11.0
107.08586	20.1
109.10155	40.4
109.10886	2.4
111.08087	6.7
111.11712	3.5
118.70956	2.1
119.08581	7.8
121.10131	23.2
123.11680	19.9
125.09685	2.0
127.07568	1.8
127.11214	4.1
131.08574	3.1
133.10150	10.8
135.11699	24.9
137.13257	7.2
139.11163	1.8
141.12738	4.6
145.10133	7.1
147.11693	21.5
149.13295	15.8
151.14931	2.1
153.12656	2.9
159.11659	4.2
161.13246	9.0
163.11163	2.6
163.14796	3.3
165.12772	8.6
167.14291	2.7
173.13275	3.8
177.12770	2.5
179.14272	3.4
179.41814	2.1
183.13850	3.9
184.17018	2.9
186.14879	3.3
187.13274	2.3
198.14738	2.1
200.16478	31.0
207.17636	2.1
214.18033	16.0
215.16478	2.4
223.17079	1.9
230.17545	3.1
261.25674	2.2
271.24130	8.0
289.25217	12.3
306.27930	10.4
307.26309	71.2
324.28925	92.2
342.29984	13.4
357.62491	2.0
360.25351	38.5
360.31039	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	361.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85746	1.9
60.03407	2.1
62.91185	2.2
63.96267	2.4
70.06586	2.6
83.96287	2.6
86.09712	4.1
122.05992	4.3
171.42551	2.4
192.06593	19.4
220.06046	4.8
293.09274	3.5
361.08951	100.0
361.13647	5.5
361.18079	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	361.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81569	2.2
53.59595	2.1
65.58392	2.2
67.56702	2.1
69.07058	3.2
70.06593	13.4
71.64977	2.3
72.08163	34.7
73.08480	6.0
80.02163	3.1
84.08141	4.7
85.02883	3.7
86.09692	18.4
102.05524	3.2
103.03931	3.2
122.06037	17.6
124.07583	3.1
127.03891	3.6
138.05505	3.3
140.07094	20.7
142.08636	15.1
160.03894	10.4
162.05534	5.4
164.07068	17.3
166.08618	35.4
188.03448	5.9
192.06572	100.0
202.12668	3.7
206.44150	2.6
220.05992	38.2
229.11848	4.9
230.12158	6.4
276.99933	3.0
293.08948	4.6
301.11789	3.7
305.14996	11.0
343.13138	3.5
361.08878	65.6
361.13803	33.4
361.20999	3.0
368.63220	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	361.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	4.8
60.05663	8.4
68.94903	1.1
69.07056	2.8
70.06593	19.1
72.08157	9.5
74.06071	9.9
81.80202	1.2
83.06104	4.6
84.04521	9.7
84.08155	25.2
86.09707	100.0
87.05576	8.1
88.03987	8.0
96.08115	2.5
98.02406	1.6
100.05094	5.0
101.01692	1.1
101.07143	2.6
101.10760	1.5
102.05520	1.5
104.05336	5.6
110.02387	2.3
110.07127	1.9
112.08736	5.3
114.10235	1.7
115.05077	1.3
115.08717	1.9
116.03461	1.4
116.07088	12.8
120.06570	8.2
123.44247	1.2
127.03992	1.5
129.06606	6.0
129.10242	46.9
130.04990	1.4
130.06514	2.7
130.08542	1.8
130.09717	1.7
131.11777	4.1
132.08090	5.5
134.04477	6.1
137.05870	1.2
138.09131	5.0
141.06602	1.4
141.10242	11.1
142.94356	1.1
147.07622	2.3
155.11775	18.4
158.09253	6.0
159.09164	30.9
166.08611	5.6
169.13448	1.9
170.05988	4.3
170.09274	1.8
175.11894	28.0
179.59621	1.2
183.11270	10.6
196.05888	2.0
196.14447	7.4
197.12801	2.7
198.08719	6.3
200.13965	33.3
201.12396	2.0
207.08052	7.5
209.09436	1.6
211.07498	1.7
213.08830	1.3
214.15538	1.7
221.05988	5.3
225.12196	1.7
228.13431	25.8
229.11781	1.9
230.11427	2.4
230.14911	1.8
235.07518	50.8
237.09050	6.4
238.08682	1.7
239.07036	35.3
242.15004	11.9
246.09015	4.9
247.12746	1.6
248.12402	1.4
252.10172	46.1
257.11191	4.6
263.06985	5.8
280.09634	5.1
281.08112	30.5
284.09100	6.4
297.12369	12.8
298.10736	22.5
299.15070	8.3
315.13391	6.4
320.09689	1.2
343.12848	35.3
343.19791	7.2
344.17935	2.4
361.04251	6.1
361.08795	1.7
361.14133	51.3
361.19818	69.6
361.24414	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	361.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.5
55.05524	21.1
57.03453	1.2
63.13183	1.0
69.03437	26.3
70.06587	1.3
71.04988	2.1
72.08146	1.9
73.06559	80.0
76.28459	0.8
79.05782	1.0
81.03426	19.0
84.04550	0.9
84.08154	10.1
85.02910	20.2
85.50600	1.1
86.09702	28.2
87.09509	1.0
87.10016	9.0
93.06911	1.0
97.02866	10.4
99.04453	18.7
101.06022	100.0
103.03938	12.3
109.02885	10.7
127.03917	29.1
129.10240	5.7
131.00224	1.0
131.07071	4.3
140.19339	1.1
144.06589	1.2
144.10147	1.2
145.04951	3.7
145.09731	1.1
147.04405	4.4
148.04773	1.7
169.08551	1.9
181.08542	7.7
187.06021	4.8
199.09610	6.3
199.17958	1.2
200.18393	1.2
203.05292	1.1
228.17879	5.2
233.85121	1.2
259.11752	68.1
343.13745	6.0
361.08844	11.0
361.14603	20.3
361.19589	4.4
361.24246	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	361.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	0.8
56.50702	0.8
57.07077	1.0
58.17263	0.7
60.05676	0.8
62.25208	0.7
70.06598	4.3
72.08160	6.4
74.06069	1.5
79.05484	0.8
81.03415	5.5
84.04473	1.0
84.08137	4.4
85.02914	3.9
86.09708	10.5
96.04507	3.4
96.05621	5.4
97.02879	1.2
97.06419	1.0
98.07184	1.2
98.09692	3.8
108.04459	1.3
109.02897	1.4
110.07153	1.5
110.09645	0.8
114.05526	4.9
115.08662	0.8
116.07088	8.1
118.06545	6.4
121.06523	1.3
122.05964	1.0
126.05646	1.4
126.06628	21.8
127.03915	0.9
128.10707	1.0
129.10202	1.7
133.02863	1.1
134.08163	1.1
137.05981	14.7
138.06624	9.7
144.06584	1.2
144.08087	9.9
146.06006	61.7
147.04404	1.2
151.37599	0.9
156.07684	100.0
160.07370	0.8
164.10680	19.0
166.12288	5.8
167.07013	4.1
170.05998	4.9
170.08087	5.0
182.11763	6.7
184.09735	1.5
188.07076	42.2
192.06577	0.9
194.08160	1.8
200.12810	67.5
204.06593	2.0
210.11452	1.1
212.09073	1.2
214.08186	1.9
218.13832	7.5
299.14624	0.9
301.08847	3.4
307.16531	19.8
309.02521	1.5
309.12888	1.0
313.12830	1.5
325.17599	27.6
343.13974	54.5
343.18646	12.4
361.11484	7.9
361.14874	36.1
361.19781	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	361.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91589	0.8
53.39709	0.8
55.05514	5.3
56.34138	0.8
62.94449	1.0
63.43759	0.9
66.57336	0.9
69.07072	3.7
83.08624	18.8
111.08080	7.8
121.53516	1.0
129.83842	1.1
130.06540	10.2
132.08134	8.8
143.69534	1.0
144.08105	4.5
146.06009	21.6
157.08604	1.2
159.09166	100.0
159.30597	1.2
164.17079	1.0
169.07579	1.4
170.06030	12.9
175.09731	1.4
187.08675	6.8
188.07062	83.5
196.07552	1.1
205.09737	15.5
251.46570	1.0
279.14981	4.7
297.15988	21.8
315.17004	41.2
325.15463	17.4
343.16504	21.7
361.17374	11.5
367.81726	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	361.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89320	0.5
55.05518	4.1
55.93579	0.6
59.35443	0.7
69.07065	3.8
79.38704	0.7
82.99870	0.7
83.04978	1.3
83.08626	19.2
93.07050	0.7
111.08107	7.3
118.06528	1.7
119.08570	0.7
129.39008	0.7
130.06516	8.0
132.08102	9.3
139.07411	0.6
142.06517	1.2
144.08101	3.8
146.05997	19.0
157.08629	1.8
159.09174	100.0
160.07649	1.0
169.07451	2.2
170.05966	9.2
175.09630	3.3
187.08664	5.9
188.07068	73.1
196.07585	1.2
205.09720	11.8
244.31467	0.7
271.14737	0.8
279.14890	5.4
286.10538	1.3
297.15973	23.3
315.17001	38.7
325.15433	14.1
343.16489	20.0
344.97803	1.7
346.95126	0.8
361.17557	12.3
361.24875	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	361.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59508	4.1
58.07339	4.4
79.02798	3.8
81.07069	6.5
87.87133	4.6
87.92185	4.8
88.60670	3.8
90.90458	3.7
105.07047	6.5
109.10109	4.9
181.20615	6.0
204.60338	4.5
283.41434	4.2
320.25522	34.6
361.17728	100.0
361.23120	14.3
361.27322	7.9
361.31241	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	361.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70635	0.5
56.05038	7.4
59.26514	0.5
64.79116	0.5
66.34866	0.5
67.05488	0.9
68.05022	0.9
70.06604	0.8
72.04156	1.0
72.04521	15.5
74.06073	0.9
76.05112	2.5
79.05495	1.4
81.07052	2.4
84.04516	0.6
88.03992	2.3
91.05466	0.8
93.07034	0.9
102.05525	1.0
107.08587	0.8
109.10162	1.2
114.05487	0.7
116.23697	0.6
118.05009	7.1
121.10114	0.9
166.12274	4.8
167.10669	1.0
172.84958	0.7
176.14311	2.5
177.08649	1.1
184.13312	16.9
189.05550	0.7
194.15392	23.2
202.14340	4.8
204.13814	1.4
208.13399	6.4
222.14877	54.9
222.67795	0.7
226.14413	8.9
240.15924	88.8
254.57520	0.7
255.17175	0.9
299.95724	0.7
343.18869	0.9
361.19690	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1969
Annotation	L-Tryptophan-L-arginine
Peak:m/z	Relative Intensity
56.05043	10.8
56.70693	1.8
57.03439	3.6
57.53159	1.9
58.06609	3.7
60.04536	4.0
67.05509	14.9
69.07061	4.0
70.02964	12.1
70.06596	9.6
72.08169	37.5
74.06081	12.0
76.05125	2.6
79.05490	2.3
80.05054	2.0
81.03421	2.4
84.04520	4.4
84.08132	9.1
86.09724	27.2
87.05596	13.9
88.04023	3.1
91.05488	2.4
93.07037	2.6
95.08575	2.5
96.04481	9.2
108.04459	8.5
109.10172	31.0
116.07098	11.3
119.08315	2.1
121.10170	2.9
129.10255	12.0
132.10237	3.6
133.06097	20.7
134.08110	12.4
136.11226	5.2
137.05977	18.8
137.09613	33.3
143.08228	3.3
154.05037	4.0
154.12279	30.2
164.10713	23.4
166.12234	15.1
172.13329	13.6
173.11731	4.6
177.09886	4.1
178.12271	15.0
179.05513	2.6
179.68062	2.3
180.13892	23.3
182.11804	9.4
184.13422	4.3
188.10756	11.8
191.05591	13.3
200.12823	26.4
206.11760	100.0
210.11273	8.9
224.12788	23.0
228.13478	3.7
228.15756	3.4
229.14395	10.0
241.15558	8.5
269.14841	2.5
282.16870	4.4
299.19604	10.3
307.16586	9.3
325.17493	10.7
326.15979	4.4
343.18744	51.5
361.13702	37.8
361.19849	95.8
371.17990	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	361.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61532	0.6
55.77447	0.6
56.05060	5.1
58.06606	0.6
60.04520	1.0
60.05644	0.9
67.05499	7.8
69.03441	1.3
69.07075	0.8
70.02953	8.4
70.06597	1.3
72.04518	4.0
74.02433	1.7
74.06073	3.7
74.89870	0.7
76.05127	11.6
79.05488	1.5
80.05003	0.8
81.07052	3.4
84.04536	0.7
87.05598	8.1
88.04014	1.1
93.07026	3.7
95.08608	1.8
96.05619	5.1
102.05555	3.2
107.08601	0.9
108.04481	5.7
109.10172	14.5
110.06081	1.2
110.09657	1.3
114.06636	5.7
116.08221	1.8
118.05027	4.5
119.08566	3.3
120.06602	1.6
121.10188	1.2
122.15941	0.9
126.05531	1.0
133.06096	9.4
135.07909	1.4
136.11221	3.6
137.09615	15.7
138.09151	1.3
154.04999	1.5
154.12262	11.8
155.10713	1.1
156.10188	1.4
160.07185	6.8
164.10713	8.2
166.12274	4.7
172.13351	7.9
173.11772	1.5
177.09831	5.9
178.12244	8.3
178.13556	0.9
180.13812	13.0
182.11763	4.1
188.10699	7.0
206.11729	47.9
210.11273	4.9
211.13181	0.7
223.14441	1.1
224.12663	11.1
228.15822	1.0
229.14371	3.1
240.15926	0.8
241.15433	5.3
242.15007	12.4
246.17003	3.5
260.16052	9.7
272.18616	1.2
275.15961	1.1
282.16916	1.4
298.16599	2.5
316.18695	1.0
326.16281	1.0
343.19513	15.6
361.20233	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	361.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69756	1.3
56.05036	5.4
60.05655	14.9
69.07060	5.1
69.30856	1.0
70.02959	1.3
70.06234	1.7
70.06595	30.2
72.08152	9.7
74.06076	5.4
83.04984	1.3
83.06112	4.1
84.04516	9.5
84.08144	20.5
86.09708	91.9
87.05582	5.9
88.03990	5.4
98.02448	2.1
100.05093	5.8
101.01752	1.5
101.07147	2.3
102.05561	1.3
104.05344	6.4
110.07170	1.9
112.08752	8.1
112.11290	1.1
113.07125	1.6
113.10747	1.8
114.10336	1.3
115.08705	2.4
116.03481	1.8
116.07087	16.4
120.06608	7.9
127.03911	1.5
127.08543	1.1
129.06607	2.6
129.10240	36.2
130.05016	1.7
130.06520	4.5
130.09779	4.9
131.11784	4.8
132.08096	7.0
134.04494	6.6
138.09129	4.5
141.06573	1.1
141.10201	12.6
147.07629	2.7
155.11818	15.8
157.10910	1.9
157.13359	1.5
158.03809	1.6
158.09242	7.4
159.07819	2.5
159.09172	42.7
159.11220	1.3
166.08636	6.6
170.04643	1.5
170.06009	4.9
170.09166	2.6
171.07626	1.3
173.12941	1.3
175.11897	47.3
183.11288	8.9
184.08798	1.4
187.14378	2.0
196.06006	1.9
196.14427	2.5
197.12936	1.9
198.08719	7.3
200.13933	32.3
207.08064	2.7
212.10301	1.2
213.08803	2.4
214.15631	1.7
225.12317	1.7
228.13419	24.8
230.11392	4.3
230.15016	2.4
235.07507	20.6
237.09001	2.2
238.08514	1.5
239.06979	15.9
242.14989	6.4
246.09071	4.6
252.10168	21.5
257.11331	4.5
263.07004	2.5
280.09644	1.3
281.08041	11.2
281.10635	1.3
284.09180	1.5
297.12360	6.2
298.10788	7.3
299.15134	12.0
327.14636	1.3
343.12976	17.7
343.19659	5.6
361.04337	4.2
361.08432	2.5
361.14471	37.9
361.19827	100.0
361.24423	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	361.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23923	2.6
52.99308	2.9
55.05519	43.7
55.99675	2.5
57.03457	3.6
57.07087	64.3
59.03731	4.1
67.05510	52.8
69.07074	87.4
71.08634	49.6
72.68830	2.6
79.05494	13.8
81.07064	98.0
83.08625	73.5
85.06529	5.8
85.10181	14.4
86.06061	6.6
91.05479	8.3
93.07050	21.7
95.08612	100.0
97.06550	6.9
97.10181	48.5
100.07649	5.6
101.21156	3.2
105.07021	7.5
107.08588	24.5
109.10162	59.2
111.08073	6.8
111.11739	22.6
114.09167	7.4
118.21323	3.0
119.08581	16.1
121.10166	28.3
123.08074	5.6
123.11703	27.2
125.09576	3.3
125.13264	5.1
127.11264	6.3
133.10121	27.0
135.11684	15.8
137.13275	6.5
141.12756	13.1
147.11667	19.5
149.13283	14.1
151.11185	13.9
155.10648	5.8
155.14281	4.6
161.13239	15.7
163.14833	6.7
165.12726	3.8
172.13362	8.1
173.24635	3.1
175.14847	5.4
186.14900	6.4
189.16423	4.9
204.69806	3.4
207.17500	5.2
211.41974	3.3
211.66730	3.6
245.22598	34.2
252.67111	3.7
263.23779	53.7
280.26370	58.4
281.24753	17.7
298.27414	78.1
299.25797	52.2
320.25552	35.4
361.19928	33.7
361.27475	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	361.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64437	0.5
55.05510	1.1
55.15395	0.6
67.05512	10.5
69.07069	1.4
69.68431	0.7
70.06603	1.0
75.02156	0.5
79.05497	1.6
81.07059	6.1
82.06580	1.4
83.08627	0.6
84.95206	0.7
91.05510	1.2
93.07030	1.5
95.06091	7.1
95.08604	3.4
96.06875	7.0
96.07467	0.8
96.08158	1.4
97.07630	1.1
105.07048	1.3
107.08612	1.5
108.08122	2.6
109.07656	5.8
109.10133	1.0
110.08438	1.5
119.08534	0.9
121.10137	1.5
122.09652	0.9
123.09199	4.2
123.11703	0.8
124.10013	5.1
125.10749	6.9
131.08542	0.9
133.10121	0.9
135.09198	1.5
137.10728	1.4
138.12799	1.0
149.10703	1.2
158.19086	0.7
163.12334	5.4
164.13083	3.7
165.13846	1.5
185.45383	0.7
251.17447	1.0
253.19226	3.1
260.18976	0.8
266.21152	0.7
294.22592	0.6
329.25797	6.1
344.25958	1.1
361.28473	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40787	0.6
55.05517	0.8
67.05498	1.5
69.07075	2.5
71.33391	0.7
79.05493	1.1
81.07065	7.7
91.05461	1.1
92.20971	0.8
92.21469	0.8
93.07043	5.4
95.08604	11.9
97.10162	1.2
104.09629	0.6
105.07035	4.7
107.08569	5.7
109.10164	3.3
117.07008	0.8
119.08576	16.3
121.10124	6.5
123.11737	3.9
131.08565	4.9
133.10149	5.9
135.11690	4.3
137.13255	0.9
138.66949	0.8
143.08594	3.5
145.10124	21.2
147.11705	5.6
149.13286	3.1
155.08626	0.9
157.10144	6.0
159.11691	13.7
161.13249	6.4
161.86980	0.7
163.14880	0.9
169.10143	5.3
171.11685	11.4
173.13268	11.3
175.14815	5.2
183.11693	4.3
185.13222	5.2
187.14853	7.5
189.16370	2.7
195.11674	1.0
197.13283	3.0
199.14767	5.1
200.13696	0.8
201.16383	3.5
203.17934	0.8
209.13351	1.5
211.14828	4.0
213.16312	4.7
215.18037	0.8
223.14784	4.3
225.16409	5.5
227.18010	1.2
229.19691	0.8
237.16328	5.5
239.18106	5.6
249.16411	0.9
251.18001	2.7
253.19426	1.1
258.01126	0.7
265.19519	2.6
277.19522	1.6
279.21225	0.9
291.21109	2.6
305.22641	1.1
354.78125	0.7
361.28903	100.0
371.39615	0.8
379.89227	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	361.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01110	0.7
55.05518	0.7
67.05495	0.8
69.07059	1.2
74.13459	0.7
74.17178	0.6
81.07063	4.3
83.08653	0.8
91.05551	0.9
93.07036	3.9
95.08608	11.5
105.07040	4.1
107.08599	7.8
109.10153	5.0
116.49989	0.7
119.08570	13.9
121.10163	3.7
123.11707	1.8
131.08553	3.2
133.10155	5.9
135.11693	3.0
143.08583	1.2
145.09085	1.4
145.10129	17.3
147.11743	8.7
147.46683	0.8
149.13255	3.4
155.08554	1.0
157.10155	4.6
159.11684	10.5
161.13298	6.7
163.14809	1.7
169.10118	5.2
171.11690	10.0
173.13226	9.2
175.14827	3.0
177.16475	1.0
179.34816	0.8
181.10059	0.8
183.11674	1.8
185.13275	5.5
187.14853	7.6
189.16386	1.3
197.13370	3.1
199.14796	3.6
201.16377	3.2
203.17821	1.2
209.13289	1.2
210.14056	1.1
211.14821	4.6
213.16316	1.8
215.17958	0.8
223.14850	3.8
225.16380	7.1
227.17867	0.8
237.16412	4.9
237.32664	0.7
239.17960	5.3
251.17754	2.9
253.19527	3.0
265.19626	1.2
277.19458	1.5
279.21005	1.0
291.21027	1.4
305.22778	1.5
319.24588	1.3
361.28906	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10658	0.6
55.04698	0.6
55.05517	0.9
55.36991	0.5
56.03184	0.6
67.05515	1.3
69.07078	1.1
71.17777	0.6
74.09832	0.7
79.05508	1.5
81.05390	0.8
81.07062	7.4
93.07027	5.0
95.08595	12.0
105.07043	4.4
107.08581	6.7
109.10165	6.3
116.53928	0.8
119.08599	16.9
121.10131	7.2
123.11725	3.9
130.65282	0.7
131.08569	3.6
133.10146	5.3
135.11687	4.0
143.08598	1.2
145.10129	20.5
147.11656	6.4
149.13266	4.7
157.10153	6.5
159.11678	12.6
160.88594	0.7
161.13264	7.2
163.14851	2.8
169.10120	5.7
171.11665	12.4
173.13234	11.8
175.14839	4.1
177.16277	0.9
181.10046	0.9
183.11702	4.3
185.13261	9.4
187.14807	8.5
189.16463	0.8
195.11754	1.2
197.13312	3.9
199.14836	4.2
201.16370	3.4
203.17961	1.6
209.13289	1.4
211.14796	5.7
213.16371	3.5
215.17979	1.1
223.14880	2.8
225.16368	6.2
227.18089	0.9
229.19534	0.8
237.16377	4.8
239.17973	4.0
240.01193	0.8
251.17914	3.8
253.19577	1.4
265.19559	1.3
277.19760	0.9
279.21130	0.9
291.21024	1.4
305.22794	1.5
346.26630	0.8
361.28906	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	1.8
69.07059	1.3
76.64927	0.8
81.07069	7.7
83.08607	1.1
89.82129	0.8
91.05460	1.5
93.07027	5.8
95.08602	13.7
105.07027	5.7
107.08595	8.5
109.10155	5.6
113.96192	0.9
119.08577	15.9
121.10159	6.8
123.11685	5.0
123.56786	0.9
131.08546	4.2
133.10129	7.7
135.11700	4.6
143.08533	2.0
145.10123	29.3
147.11685	11.4
148.02861	0.9
149.13235	5.2
150.80136	0.9
157.10057	7.8
159.11687	13.2
161.13223	8.1
163.14868	3.5
164.92776	0.9
169.10071	7.1
171.11661	13.0
173.13260	10.9
175.14842	5.9
183.11610	3.7
185.13275	8.9
187.14789	7.0
189.16371	3.8
195.11736	1.6
197.13251	4.2
199.14833	5.6
201.16365	1.8
203.17949	1.8
209.13312	1.4
211.14833	6.2
213.16461	3.0
215.17847	1.0
223.14832	4.1
225.16364	5.0
227.17969	1.6
233.15352	2.1
237.16292	6.9
239.17967	5.0
251.17923	3.6
253.19434	1.7
300.58157	1.0
305.22253	1.0
321.44812	0.9
361.28873	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	362.0857
Annotation	N(6)-methyl-AMP
Peak:m/z	Relative Intensity
67.06300	0.4
69.03438	1.7
79.60622	0.4
85.02906	4.5
89.65569	0.4
97.02894	6.3
113.00021	12.6
115.03916	0.6
136.06187	100.0
136.48232	0.4
145.63124	0.4
146.25894	0.5
151.01573	2.3
179.00998	2.9
183.77948	0.4
227.03162	1.7
362.08585	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	362.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96888	0.7
55.91157	0.7
58.06606	100.0
60.59782	0.7
64.23729	0.7
66.50175	0.7
70.06589	1.5
72.08147	2.7
83.11145	0.7
84.04528	1.4
84.46258	0.7
86.09712	3.4
98.06057	1.5
99.39864	0.8
120.51778	0.8
129.10211	0.7
131.67061	0.8
152.09474	0.8
180.94618	0.7
189.72667	0.8
197.06023	4.1
201.12413	1.1
203.07007	2.7
211.07574	1.3
214.06248	4.5
225.05487	8.5
229.04988	4.2
229.08563	9.0
231.06641	1.0
236.52069	0.9
239.07037	3.4
242.05875	0.9
253.04976	2.9
257.08160	4.2
267.06525	21.3
270.05270	3.1
285.07556	9.0
299.09238	3.4
302.13828	4.4
317.10324	1.2
362.12692	2.7
362.15964	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	362.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20825	2.4
57.07098	2.1
58.06605	10.2
59.42985	2.1
69.07064	2.3
73.25226	2.2
74.06084	3.8
76.37495	2.1
86.06080	3.0
87.88078	2.5
88.07635	16.5
93.06382	2.2
96.74567	2.2
104.07092	3.7
132.10197	3.3
136.92667	3.0
179.51682	2.4
231.74362	2.9
270.27914	43.4
302.24496	41.9
314.30521	11.7
344.31863	2.5
362.24258	100.0
362.32571	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	362.2453
Annotation	N-palmitoyl taurine
Peak:m/z	Relative Intensity
51.60682	1.2
75.96987	1.3
88.07627	2.9
92.20973	2.5
115.07537	2.5
128.32364	1.3
140.60944	1.6
167.89163	1.3
192.43301	1.3
239.26573	1.3
256.26181	1.6
257.52264	1.5
264.16550	1.5
270.27960	9.4
287.09305	1.3
302.24625	14.6
314.30396	1.9
362.24478	100.0
362.32416	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	362.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31089	7.1
55.05513	28.2
56.66275	6.1
57.03445	17.3
60.04541	8.3
67.05519	68.7
69.03417	6.6
69.07082	86.2
76.38764	7.1
79.05505	84.0
81.03440	11.0
81.07059	38.4
83.04988	59.9
83.08639	45.3
91.05489	14.3
93.07042	100.0
95.04977	13.3
95.08620	39.4
97.10164	75.7
105.07004	13.5
107.08617	37.0
109.06555	8.9
109.10156	46.1
113.06021	30.9
119.08575	16.2
121.10125	32.2
123.08088	30.6
125.09620	75.2
131.08611	9.1
135.08052	16.2
137.09624	19.9
147.09357	8.3
155.10617	14.5
187.11211	9.6
189.11214	53.1
221.15366	10.6
223.13295	73.6
241.14432	12.8
291.19666	69.7
309.20581	59.4
320.00363	9.3
362.24893	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	362.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12177	0.6
55.38249	0.6
56.05031	0.6
57.07071	1.4
57.47291	0.6
58.06590	1.4
62.35794	0.7
71.08655	0.7
73.40408	0.6
86.06083	2.8
88.07626	6.4
104.07122	1.6
110.40485	0.7
132.10210	3.0
153.87129	0.8
241.98502	0.7
256.26437	0.9
270.27866	16.2
314.30472	4.8
320.25693	1.1
321.25931	18.5
362.26624	100.0
362.32544	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	362.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	1.2
58.52013	0.7
88.07613	1.5
89.80727	0.9
132.10219	0.9
182.61372	0.9
212.23737	24.9
256.26370	4.8
300.29025	8.1
320.25510	1.5
321.25934	13.6
335.72266	0.8
362.26624	100.0
362.32535	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	362.2663
Annotation	U-75302
Peak:m/z	Relative Intensity
93.69775	0.4
222.55188	0.5
300.28995	0.8
321.25797	0.8
362.26648	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07059	0.8
60.36342	0.9
95.68518	1.0
115.07629	1.0
120.87956	0.9
177.69246	1.0
227.02583	1.2
234.36940	1.0
237.93884	1.0
270.27927	1.9
302.24536	100.0
362.26740	58.7
362.32324	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	362.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23384	1.0
57.80872	0.7
59.49009	0.7
66.57520	0.7
67.26814	0.8
77.23251	0.8
87.42944	0.9
94.08103	0.8
97.57340	1.0
110.03061	0.8
114.60457	0.8
140.77112	0.8
193.63631	0.9
207.12271	1.2
286.93665	1.1
300.28967	4.5
320.25452	4.6
321.25989	27.3
338.25443	1.4
362.26611	100.0
362.32385	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	362.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	22.0
57.07080	19.5
67.05507	30.0
67.60808	3.8
69.07082	51.0
70.36283	3.6
71.08641	9.6
79.05500	10.0
81.07068	54.9
81.32478	4.4
82.64125	3.6
83.08627	41.9
93.07033	19.6
95.08608	68.4
97.06529	8.1
97.10178	30.8
98.63899	4.1
100.07633	5.9
100.11239	4.5
105.06998	7.5
107.08637	15.7
109.10181	35.5
119.08567	7.5
121.10148	26.1
123.11755	8.4
133.10120	18.3
135.11710	7.5
137.09607	5.6
137.13280	6.5
147.11687	7.8
161.13254	8.0
191.07080	4.7
198.00253	5.1
227.11870	4.8
242.95953	4.9
273.25854	9.2
291.26862	51.6
301.24878	4.7
302.24500	22.3
304.84210	4.3
308.29462	100.0
327.28772	8.1
344.26947	9.5
362.23972	25.0
362.27786	10.2
362.33420	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	362.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86787	2.4
55.05516	19.4
57.07083	19.8
59.31752	2.6
67.05510	26.4
69.07072	47.4
69.23360	2.7
71.08619	11.8
79.05476	3.6
81.07055	53.1
82.91290	2.9
83.08626	35.8
83.15657	2.7
83.34393	2.6
84.40215	3.0
86.06052	3.3
90.88422	2.8
91.05494	5.9
91.16241	2.5
93.07046	14.3
95.08613	55.2
97.06492	5.5
97.10172	27.6
100.07610	4.1
105.07026	7.2
107.08585	14.0
109.10131	35.0
111.08072	6.3
114.09158	3.5
115.95920	3.4
119.08562	5.2
121.10152	18.7
123.11699	12.6
125.09599	4.6
128.10706	4.4
133.10085	17.1
135.11719	14.3
147.11649	4.7
161.13237	12.0
179.95522	3.0
273.12720	3.3
273.25757	17.0
291.26828	45.8
308.29468	100.0
344.27026	3.9
362.23483	21.7
362.32730	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	362.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	23.2
57.67881	4.2
59.65996	3.6
67.05507	96.3
69.03414	4.0
69.07059	17.6
70.71252	3.8
71.04990	43.9
71.08625	57.1
79.05489	22.3
81.07064	92.6
83.04979	8.6
83.08636	39.3
85.06531	5.4
85.10155	5.3
86.04375	3.8
91.05482	10.4
93.07050	53.1
95.08586	37.7
97.06542	7.1
97.10172	41.4
99.08110	30.6
105.07019	8.2
107.08605	39.6
109.10155	100.0
111.08089	6.4
113.09644	5.9
117.07016	4.8
119.08559	16.2
121.10143	20.1
123.08137	5.6
123.11692	9.8
125.09622	58.1
133.10133	24.5
135.08040	7.0
135.11678	29.3
137.09645	6.6
139.11183	5.7
147.11687	7.1
149.13243	38.3
151.11189	9.9
155.10655	46.7
155.14258	34.8
158.45572	4.1
158.64742	4.4
159.11681	9.8
161.13191	5.9
165.29485	4.7
171.10216	5.9
173.11739	93.5
177.12773	7.3
179.14345	7.9
179.87749	5.5
187.13322	52.0
195.13826	24.9
197.43971	4.1
203.12766	24.6
207.60564	4.1
209.15323	4.6
213.14883	15.1
227.16423	63.7
259.20609	19.1
269.89075	5.1
272.12970	4.2
277.21634	67.3
291.23215	16.9
295.22656	5.5
309.24234	52.4
362.26526	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	362.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63909	1.6
55.05512	13.3
58.83948	1.6
67.05513	47.8
69.03417	2.9
69.07066	8.6
69.99885	1.6
71.05005	2.8
71.08636	17.9
79.05491	8.5
81.07059	27.3
83.05001	3.4
83.08630	17.1
93.07059	16.5
95.04975	2.7
95.08608	17.0
97.06525	4.4
97.10161	28.1
99.08089	13.9
104.27700	2.0
105.07054	2.5
107.08597	14.2
109.10160	100.0
111.08061	8.7
117.07076	2.9
119.08587	13.2
121.10143	9.6
123.08057	2.1
125.09626	23.1
133.10115	4.3
135.08054	2.6
135.11685	11.8
137.09647	5.1
145.10138	3.3
149.13293	10.1
151.11230	3.2
153.09123	2.3
155.10672	50.5
159.11681	3.6
161.13257	2.4
163.11201	2.7
173.11726	63.7
187.13284	73.5
195.13721	8.8
203.12785	21.9
214.91110	2.3
227.16429	10.5
238.72035	2.2
259.20599	2.7
277.21606	32.8
291.23111	3.6
295.22614	10.4
309.24243	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	362.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00225	2.2
55.05513	12.4
67.05512	41.2
69.07073	5.7
71.04594	3.4
71.04996	100.0
71.08649	19.5
79.05495	5.6
81.07065	47.7
81.30743	2.4
83.08634	21.5
91.05505	3.9
93.07043	15.9
95.08608	11.0
97.10156	24.7
99.08083	12.3
105.00492	2.7
105.07018	5.6
107.08615	11.4
108.33526	2.4
109.10137	32.9
119.08563	6.0
121.10114	5.0
123.11694	12.1
125.09644	29.0
128.50725	2.4
133.10146	3.1
135.11690	6.5
149.13278	4.5
151.11168	10.9
155.10641	15.4
155.14304	65.5
161.13271	3.2
171.10243	4.2
173.11739	47.5
189.11197	15.6
227.16397	32.8
244.40294	3.3
277.21680	27.6
295.22568	15.9
323.46942	3.1
326.29095	2.9
362.26764	29.0
375.10873	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	362.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	18.5
56.95069	3.2
57.03473	3.1
60.48936	4.1
67.05510	65.6
69.07074	20.0
71.08621	29.0
79.05489	22.7
81.07050	50.8
83.08614	24.8
91.05452	9.6
93.07062	44.7
95.08613	27.2
97.10174	51.6
99.08092	23.0
105.07000	8.3
107.08586	47.9
109.06529	4.2
109.10152	100.0
111.08080	8.4
113.09573	4.3
114.05735	4.2
117.07048	7.1
119.08572	23.2
121.10114	18.2
125.09656	49.4
131.08572	6.2
133.10135	16.6
133.54437	4.2
133.56012	4.7
135.11688	22.8
137.09657	7.9
147.11702	8.9
149.13266	27.1
151.11163	17.9
155.10649	39.4
159.11670	8.9
164.24925	5.6
173.11711	72.2
175.14684	4.9
177.12727	4.3
179.22067	4.1
187.13307	80.2
195.13785	30.5
203.12802	41.9
213.14862	7.1
227.16391	40.1
241.19479	5.5
256.90210	4.6
277.21622	49.7
291.23187	24.6
309.24149	56.8
362.26538	31.4
362.32437	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	362.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35049	1.9
54.65133	1.7
64.37642	1.8
70.06596	4.7
71.08633	3.7
72.08161	100.0
74.20366	2.3
74.70840	1.9
82.33994	2.0
98.06065	11.4
109.10108	2.7
137.16133	2.1
216.09038	2.1
264.23270	8.4
320.30298	2.1
362.30408	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	362.3264
Annotation	CHEBI:131749
Peak:m/z	Relative Intensity
56.05046	3.4
57.07077	3.9
58.06354	0.4
58.06607	7.5
60.04519	1.1
61.30770	0.4
63.43452	0.4
66.50430	0.4
68.05010	0.4
70.06599	0.8
71.08629	2.0
72.08152	1.0
74.06084	5.5
85.10179	1.0
86.06072	7.3
87.23460	0.4
88.07631	20.6
89.06017	0.7
100.07602	1.0
104.07125	5.6
118.08669	1.0
120.26398	0.5
132.10204	7.7
135.08043	0.6
154.80164	0.5
162.11269	4.3
165.12668	0.5
166.10739	5.2
238.25334	0.9
239.77072	0.5
256.26328	2.0
270.27911	51.5
282.28012	2.0
300.29123	1.0
314.30511	16.6
320.25513	0.6
321.25955	8.0
344.31635	2.8
362.26846	10.1
362.32623	100.0
373.68982	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	362.3262
Annotation	CHEBI:131749
Peak:m/z	Relative Intensity
56.05053	3.9
57.07070	3.2
58.06606	6.7
60.04528	0.9
62.82539	0.6
63.77121	0.5
70.06593	0.6
71.08629	2.8
74.06075	3.7
75.04545	0.5
85.10201	0.7
86.06064	7.8
87.04438	0.7
88.07632	20.3
100.07632	2.2
102.09178	0.7
104.07098	4.9
118.08620	1.2
132.10226	7.0
154.95479	0.5
162.11258	3.6
166.10765	3.4
231.26550	0.6
256.26361	0.9
270.27921	50.4
282.27686	0.7
314.30557	18.6
344.31622	1.0
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	362.3262
Annotation	CHEBI:131749
Peak:m/z	Relative Intensity
57.07069	4.3
59.16138	0.5
70.06595	10.7
71.08627	1.1
72.08140	1.0
84.08125	0.8
86.09698	2.5
88.07619	5.6
102.09180	1.1
118.32655	0.6
132.10220	13.7
144.01166	0.7
146.11765	9.8
210.13992	0.6
212.23747	4.3
238.25310	1.1
256.26297	11.9
258.73251	0.6
300.28958	79.5
330.66614	0.8
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
57.07068	2.1
57.27724	0.4
70.06594	10.7
71.08619	2.8
71.10229	0.6
72.08154	1.2
73.64386	0.5
76.28897	0.5
84.08137	2.1
86.09698	2.4
86.45998	0.5
88.07631	3.6
102.09197	1.0
132.09285	0.8
132.10208	13.5
146.11760	13.2
146.60159	0.6
202.37352	0.5
212.23819	4.9
212.25497	0.6
238.25256	2.2
256.26364	10.9
300.28958	70.4
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	CHEBI:131749
Peak:m/z	Relative Intensity
51.67527	0.7
54.26681	0.6
54.35250	0.5
57.07073	1.6
60.37516	0.7
66.06696	0.6
70.06600	10.3
70.60920	0.7
71.08626	1.1
72.08139	1.8
84.08153	1.7
86.09695	1.4
88.07634	1.7
102.24713	0.7
132.10197	13.7
146.11763	13.8
159.20142	0.7
212.23779	4.4
220.79228	0.7
236.42650	0.7
238.25398	1.2
256.26367	3.6
300.28952	80.4
362.32629	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	362.3263
Annotation	CHEBI:131749
Peak:m/z	Relative Intensity
50.20918	0.4
50.51000	0.5
51.71674	0.4
57.07084	2.2
60.76986	0.5
62.29312	0.5
63.00920	0.5
70.06278	0.6
70.06600	9.8
71.08636	2.2
72.08127	0.9
72.71135	0.5
84.08155	0.8
86.09702	3.2
88.07643	1.4
132.10185	11.9
146.11765	11.1
212.23788	2.7
238.25233	2.3
252.89641	0.6
256.26382	5.7
300.28970	71.6
362.32632	100.0
382.60294	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	363.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
72.14927	4.7
73.02931	10.2
79.88239	4.3
93.78565	5.1
94.92991	8.9
96.26638	4.6
97.02856	5.2
119.01897	6.0
125.44387	4.6
143.01924	6.6
145.03439	5.2
161.02960	9.1
189.06062	5.9
201.06117	21.6
231.04668	11.6
231.07130	12.5
249.05591	7.9
254.07895	8.8
296.09192	5.9
303.04263	7.2
310.09433	5.7
321.10373	20.3
322.61008	5.9
345.10654	7.3
363.03247	10.1
363.06952	8.1
363.10855	100.0
363.14929	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	363.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	36.4
56.75181	1.8
69.03429	5.3
69.39587	2.0
70.06584	3.1
72.93068	2.4
74.06075	26.2
76.49151	2.2
79.05493	3.7
80.25479	2.1
81.03434	16.9
85.02911	40.7
86.09772	2.2
89.94328	2.0
94.06575	4.4
97.02848	3.0
99.04462	20.5
100.48470	2.0
102.05547	3.6
103.03944	42.1
107.08596	3.0
109.02879	23.0
113.40570	2.3
120.06573	9.7
122.06026	33.5
124.11218	10.1
127.03907	68.5
132.10252	4.6
140.07071	57.1
140.49609	2.0
145.04959	12.1
146.05977	5.0
162.05530	5.6
170.11716	2.5
172.03911	21.5
180.13887	2.6
187.05882	3.0
190.04964	14.2
204.06564	100.0
206.08141	24.4
222.07602	3.4
244.09680	5.4
257.67831	2.2
261.36383	2.4
271.10867	5.2
280.74533	2.4
289.11801	15.0
301.21048	2.8
307.12967	3.1
327.13406	2.4
331.12820	13.5
345.14374	34.7
345.20221	14.7
363.16882	3.3
363.21179	34.4
363.25082	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	363.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
61.04663	0.5
63.92860	0.5
69.03423	2.8
69.07069	3.4
72.23416	0.6
81.03416	4.5
85.02925	7.1
94.06579	7.5
95.04979	1.2
97.02872	0.7
97.06551	0.8
99.04478	3.3
100.93194	0.7
103.03952	8.8
108.08140	0.8
109.02881	3.9
110.06095	0.6
111.77605	0.6
112.07603	3.3
122.06033	39.9
123.04519	0.9
127.03910	13.6
140.07074	64.4
144.04396	0.7
145.04977	1.1
146.06026	9.2
147.73311	0.6
148.03941	2.5
150.05499	2.3
162.05502	8.4
166.04955	0.7
172.03929	31.1
174.05455	4.4
178.08667	1.4
187.06140	0.9
190.04994	16.6
192.06631	1.3
194.08081	0.8
201.41949	0.6
204.06564	100.0
205.07333	0.8
206.08116	26.8
217.13417	0.7
222.07689	5.4
234.98969	4.5
244.09654	8.1
271.07999	1.1
271.10742	7.8
272.09198	3.6
289.11835	19.9
300.12256	1.0
307.12781	7.0
313.11737	2.5
331.12845	19.4
345.14450	35.8
363.10983	3.1
363.15408	2.5
363.21265	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	363.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.4
54.27016	0.6
54.89852	0.5
56.05042	1.7
66.78194	0.8
69.03426	4.9
70.06600	1.2
71.04977	2.6
72.04511	2.8
74.02444	0.9
74.06079	1.0
76.05130	5.1
77.84884	0.8
81.03432	10.3
83.08601	0.7
85.02899	8.7
85.06612	0.7
86.09702	3.1
88.71915	0.7
96.05603	4.5
97.02876	5.2
97.03999	7.9
99.04462	100.0
102.05540	4.8
107.95097	0.7
109.02876	1.6
116.08202	1.6
116.10726	0.8
117.05485	9.6
118.05025	3.2
120.06580	1.0
120.08071	1.0
124.05077	1.6
127.03914	4.2
129.56659	0.7
136.11098	0.8
145.04938	3.3
154.12241	0.8
156.07660	1.8
158.12790	1.1
160.07176	4.0
168.15007	1.1
173.38295	0.8
177.09839	4.4
184.14485	3.6
194.12885	3.9
212.13966	4.1
230.15016	1.2
243.08760	0.9
244.16574	10.4
261.09698	3.2
313.18893	3.0
316.56940	0.8
331.19778	1.4
345.21414	9.9
363.22537	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	363.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92762	0.9
56.05050	8.5
56.05276	0.9
58.04094	1.6
60.05660	4.2
60.31424	0.9
70.06602	2.3
72.04520	18.9
72.08167	8.3
73.02922	1.9
74.02454	1.3
74.06081	7.1
76.05133	93.0
76.99065	1.0
84.08140	4.8
84.27536	0.9
86.09701	5.9
98.07225	1.0
102.05556	8.7
114.06661	2.2
116.08984	0.9
118.05014	40.9
120.06573	5.0
120.08040	1.6
122.83717	1.1
127.08682	2.2
130.04932	1.0
131.09334	3.9
132.07813	1.2
141.10236	4.8
159.08871	6.6
160.07179	52.3
164.10757	1.5
170.06046	1.7
177.09836	100.0
186.12379	7.2
197.12885	1.3
200.12817	2.4
213.12318	1.9
214.11818	4.4
288.16699	2.3
309.18051	2.1
314.14526	1.6
327.16830	1.3
331.17346	4.1
346.14120	1.4
363.18701	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	363.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21780	2.3
55.05504	3.3
57.86552	2.1
67.05504	2.5
69.07058	4.3
81.07043	6.6
83.08625	2.9
93.07036	3.8
95.08598	4.6
104.17521	2.5
119.08604	2.7
132.46812	3.1
163.38025	3.2
164.15140	2.7
185.16939	2.5
240.71884	2.8
269.61670	3.5
309.29877	4.0
363.19324	100.0
363.24524	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	363.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66388	6.4
67.05473	6.7
69.07087	7.7
71.08611	9.3
72.95409	5.5
79.05076	6.2
81.07044	29.5
83.08636	8.2
91.05515	6.8
95.08609	12.6
98.33823	7.8
111.87704	6.4
119.08604	8.6
121.10141	8.7
133.10216	10.1
167.65260	7.3
275.20090	49.8
294.16245	7.1
363.19131	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66388	6.4
67.05473	6.7
69.07087	7.7
71.08611	9.3
72.95409	5.5
79.05076	6.2
81.07044	29.5
83.08636	8.2
91.05515	6.8
95.08609	12.6
98.33823	7.8
111.87704	6.4
119.08604	8.6
121.10141	8.7
133.10216	10.1
167.65260	7.3
275.20090	49.8
294.16245	7.1
363.19131	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.193
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	5.2
69.46120	2.4
71.08607	2.4
81.07056	4.5
95.08610	3.0
102.36285	2.8
107.08533	2.3
109.10166	3.9
112.31466	2.6
119.08553	3.6
151.72078	2.5
219.78795	2.9
246.90874	3.1
289.95032	2.4
363.18994	100.0
363.26370	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	363.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56162	2.0
57.04144	2.6
59.71053	2.4
67.05492	2.7
71.46827	2.3
81.07067	3.1
93.07098	2.9
97.99029	2.4
173.78787	2.8
178.84880	2.9
190.42842	2.3
363.19290	100.0
363.24921	13.7
388.40201	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	363.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58668	0.8
55.05515	5.0
56.05044	78.7
57.03440	1.8
57.21106	0.7
58.06589	1.9
59.39900	0.6
63.06059	0.6
67.05510	5.7
68.05022	1.1
69.07069	0.7
70.06580	1.2
72.04525	1.3
74.02453	1.8
74.06082	61.9
79.05498	13.1
80.05019	0.9
81.07064	5.9
82.06573	3.7
83.08617	3.5
85.02914	1.2
88.04000	0.9
91.05479	1.9
93.07037	1.2
96.08124	1.7
97.10163	4.3
99.00993	0.8
102.05544	11.0
103.03950	1.5
107.08587	11.9
109.10154	3.6
112.07597	0.7
116.07098	1.1
118.05006	0.9
120.06573	20.3
120.08023	1.0
124.11231	31.4
125.09650	3.7
127.03919	3.6
130.08664	2.0
133.73453	0.7
134.09645	1.5
135.08060	1.6
137.09512	1.4
140.07074	1.0
152.10715	9.2
154.12254	1.5
170.11732	7.3
180.13895	1.1
189.87727	0.8
198.14879	1.0
225.16051	1.0
226.14371	1.0
243.16959	1.1
244.15425	5.1
254.13838	1.4
262.16379	1.5
271.16446	4.3
272.15018	0.9
278.69150	0.8
301.09274	0.9
327.19376	1.1
328.17654	1.8
345.20169	34.6
346.18787	1.1
363.21252	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	363.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	4.8
56.05047	53.9
58.06609	1.3
67.05506	2.6
68.05057	1.6
70.06600	21.9
71.06940	2.3
72.08138	2.8
74.06084	43.8
79.05519	10.3
81.03402	1.4
81.07079	5.1
82.06592	2.2
82.46751	1.2
83.08632	1.5
84.04490	1.9
84.08149	1.6
95.08617	2.0
97.10173	3.0
102.05540	7.9
107.08614	7.4
120.06580	15.3
120.08131	2.2
124.11226	21.7
125.09686	2.6
135.08173	2.0
136.06210	12.8
152.10698	5.4
169.13399	2.0
170.11874	1.5
170.13681	2.3
183.92130	1.3
207.29427	1.2
244.15517	1.9
253.00287	1.5
262.16522	2.1
310.02094	1.3
345.20178	9.9
346.18475	2.2
363.21280	100.0
374.07776	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	363.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14702	0.5
70.06602	0.8
73.75427	0.6
80.73014	0.5
88.07630	1.0
89.07960	0.8
92.21413	0.8
102.09179	1.2
103.09547	0.9
122.62073	0.6
127.11208	0.6
153.98666	0.6
160.10544	0.6
189.47987	0.6
221.54213	0.7
235.13057	3.0
256.26355	2.6
257.26688	12.0
363.21417	100.0
363.32977	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	363.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01191	0.6
52.67399	0.6
65.20643	0.7
65.36141	0.6
65.73174	0.7
78.22179	0.8
83.55943	0.7
87.53806	0.7
95.08575	1.0
107.03604	0.7
119.06122	0.7
119.08582	1.0
121.77321	0.8
122.63638	0.8
159.11668	0.9
162.91750	0.8
211.47456	0.8
232.36813	0.8
275.16156	3.7
338.63040	0.8
363.21439	100.0
363.26538	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	363.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07380	0.6
80.55297	0.6
83.68545	0.6
103.90838	0.6
124.28468	0.6
239.12714	2.4
275.16110	3.7
331.20926	0.8
363.21439	100.0
363.26532	3.6
364.48657	0.7
389.66913	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	363.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07094	1.0
63.93974	0.6
66.91821	0.8
68.23791	0.7
79.05530	0.7
81.07039	1.1
86.15815	0.7
92.20937	0.9
93.55466	0.7
97.10132	0.7
112.78365	0.7
115.81416	0.8
132.10233	0.8
138.63441	0.8
215.92215	0.7
255.53737	0.8
257.26740	1.7
301.29474	6.1
346.33972	0.8
363.21451	100.0
363.26447	5.5
363.33066	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	363.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	1.3
69.07058	1.8
72.90443	0.9
79.05489	0.8
79.64337	0.8
79.79968	0.9
81.07044	1.4
85.07673	16.5
93.07034	1.5
95.08615	1.1
109.10182	1.0
114.64533	0.9
121.10110	1.0
123.08071	4.7
127.53257	0.9
130.84195	0.9
144.03638	1.0
147.11723	1.0
168.84419	0.9
179.14357	2.0
209.11465	4.7
292.87299	1.0
302.00717	1.2
311.77078	1.0
321.24579	1.0
345.25153	1.3
363.25058	100.0
363.28931	5.5
378.73129	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	363.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33286	1.0
54.85960	1.1
55.05517	2.1
55.86161	1.0
67.05502	2.4
69.07066	8.8
71.08626	1.9
73.84437	1.0
79.05473	1.8
81.07071	9.3
83.08593	2.9
87.46973	1.1
93.07052	6.2
95.08601	12.0
97.06519	1.9
100.05113	8.0
105.06982	1.8
105.77758	1.1
107.08589	5.4
109.06522	7.5
109.10152	6.2
119.08581	5.7
121.10150	5.7
123.08062	65.0
123.11706	2.7
133.10149	2.6
135.07982	1.9
135.11717	2.5
137.09601	6.1
147.11699	2.1
149.13266	1.9
161.13205	2.1
179.14302	21.9
218.05945	1.2
275.19977	3.8
307.22641	8.7
307.25937	1.2
321.30777	2.6
331.26111	2.6
363.28925	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	363.289
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08908	2.1
62.37609	1.9
67.05495	2.7
69.07068	10.0
81.07050	11.2
84.14915	2.3
86.75743	2.3
93.07009	3.7
95.08596	5.4
107.08567	2.7
109.06523	2.8
109.10135	5.4
112.19645	2.2
119.08587	3.0
120.62163	2.7
121.10126	5.1
123.08083	44.2
137.09615	3.2
147.11729	2.5
179.14310	22.3
221.79404	2.7
307.22827	8.4
363.29013	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29728	0.9
67.05510	2.4
69.07062	4.2
79.05505	1.5
81.07070	8.6
81.95384	1.0
91.05482	1.8
93.07047	5.4
95.08618	17.7
105.07044	9.8
107.08585	10.1
109.10156	8.8
119.08587	12.5
121.10133	6.5
123.11723	2.4
131.08577	2.2
133.10136	6.6
135.11702	7.2
143.08531	2.3
144.92267	1.2
145.10136	20.6
147.11711	6.1
149.13278	8.2
152.01691	1.1
157.10208	5.5
159.11720	14.2
161.13240	35.2
163.14857	4.0
171.11693	6.4
173.13286	9.8
175.14786	10.7
177.16466	1.3
183.11670	1.2
185.13243	2.7
187.14836	12.2
189.16423	2.4
197.13275	2.3
199.14839	5.8
201.16408	17.9
203.17986	2.5
213.16422	5.6
214.17378	1.4
225.16406	5.2
227.17957	7.5
239.17957	5.0
241.19521	2.2
253.19400	1.7
255.20911	1.5
267.21100	2.0
279.21222	1.5
293.22626	1.6
307.24274	2.2
321.25684	1.2
339.55423	1.2
363.21506	18.5
363.30469	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	364.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12661	0.3
59.07119	0.3
63.26214	0.4
111.70640	0.4
120.08094	0.7
136.06175	2.3
139.11208	0.5
144.89722	0.4
167.10730	0.9
182.02457	0.4
212.57574	0.4
247.10904	0.4
291.10150	0.4
319.09442	1.6
320.10260	7.6
334.08081	0.8
348.09778	42.6
349.10590	9.5
364.12906	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	364.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42580	0.4
63.79927	0.4
75.73200	0.5
78.38631	0.4
87.82794	0.5
113.81577	0.6
115.98547	0.5
150.96858	0.5
173.09546	0.5
288.10245	1.2
295.97501	0.5
302.11768	3.0
303.12549	3.7
316.09692	5.2
320.09152	9.8
320.12820	4.6
330.11288	15.2
331.12067	17.6
332.12949	4.4
334.10730	36.7
348.12238	4.9
349.13074	18.5
364.15421	100.0
364.21280	3.2
375.87119	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58448	0.4
59.73251	0.4
62.56165	0.5
63.81957	0.4
66.38483	0.4
112.21767	0.5
121.24820	0.4
192.88011	0.5
222.29747	0.4
288.10226	2.2
302.11780	3.9
303.12408	4.5
316.09604	6.8
320.09140	11.2
320.12799	4.3
330.11221	19.4
331.12006	18.6
332.12814	4.4
334.10703	40.1
348.12341	5.4
349.08875	0.5
349.13049	22.1
364.15408	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	364.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22708	0.4
55.05517	0.6
56.05047	0.8
67.05527	0.5
69.03418	0.6
72.08149	6.7
74.06083	0.5
76.05138	1.2
81.03426	2.8
81.07080	0.5
83.08643	0.6
85.02905	0.7
93.07056	2.8
105.07017	0.5
118.63975	0.5
119.08588	0.5
120.08114	14.6
121.10158	3.0
121.68568	0.5
136.06189	100.0
149.09581	0.8
154.41264	0.4
157.10078	0.6
167.10690	1.9
175.11104	0.6
193.12202	2.0
211.13261	1.1
217.15514	0.6
219.14923	4.1
234.03873	0.7
247.14452	4.5
346.18677	2.2
364.07486	2.9
364.19681	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	364.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
62.61369	0.2
65.65418	0.2
67.05508	0.3
69.03403	0.2
69.12833	0.2
79.05482	0.3
79.41510	0.2
81.03425	3.7
81.07072	0.9
83.08636	1.6
87.59875	0.2
92.85800	0.2
93.07081	0.4
94.68072	0.2
95.04964	1.2
95.69740	0.2
97.02909	0.3
105.07024	0.4
108.43700	0.2
111.08074	1.0
119.08524	0.3
131.08537	0.4
133.10075	0.4
136.06187	100.0
147.11646	0.3
149.09641	0.4
152.05771	0.7
152.82048	0.2
157.10178	0.3
174.07738	2.0
175.11162	1.1
193.12253	2.8
211.13315	1.8
310.16592	1.3
328.17761	0.5
346.18686	2.1
364.19781	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	364.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76786	0.6
60.04530	12.6
60.05645	2.9
66.45792	0.7
70.06593	39.2
71.05006	5.3
72.08157	2.9
72.44672	0.8
78.93002	0.6
81.46896	0.7
84.08125	1.2
86.09704	1.2
95.06097	17.8
97.02886	0.8
97.07632	1.3
112.07611	6.9
112.08733	14.9
112.44279	0.8
112.63483	0.7
113.07159	6.6
114.09192	0.9
114.10280	3.2
115.08690	25.3
116.07110	4.6
120.08107	34.4
130.08659	1.7
130.09714	1.3
130.96994	0.7
138.10353	0.9
138.89684	0.7
139.08655	2.6
140.07156	0.9
140.08197	4.0
149.06023	1.1
154.09769	1.4
157.09705	13.4
157.10806	1.0
158.08139	14.1
158.09309	2.5
166.08630	12.9
175.11905	1.7
182.09279	1.6
188.03790	1.8
194.50533	0.7
199.11893	5.3
200.10300	10.5
202.06123	1.6
217.12991	61.6
259.14474	1.2
288.13327	0.8
305.15552	1.4
346.25815	3.0
364.19769	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.261
Annotation	Unknow
Peak:m/z	Relative Intensity
69.41269	2.4
70.41842	3.1
73.66017	2.4
77.11727	2.4
92.20972	3.2
100.69432	2.4
135.22989	2.8
138.51027	2.9
165.06187	2.9
174.11504	2.6
227.85052	2.5
249.77620	2.9
311.61572	3.4
364.26080	100.0
364.44882	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	364.261
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05624	2.0
57.07078	3.8
59.05014	2.3
59.85128	2.1
67.09129	2.3
71.21760	2.3
87.35739	2.3
89.06050	12.2
132.43990	2.6
246.59908	2.9
272.69760	2.9
299.54767	2.5
364.26093	100.0
364.30801	8.3
372.00293	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	364.2817
Annotation	5(6)-EpETrE-EA
Peak:m/z	Relative Intensity
50.85359	0.4
58.17091	0.5
80.77103	0.5
158.37404	0.7
173.19418	0.6
187.53133	0.6
278.21198	0.6
346.26620	1.0
364.21616	5.9
364.28192	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	364.2817
Annotation	N-cis-octadec-9Z-enoyl-L-Homoserine lactone
Peak:m/z	Relative Intensity
52.03855	0.5
56.49843	0.6
57.67839	0.6
69.03425	0.5
69.04531	0.6
81.07037	0.9
117.13856	0.7
118.99850	0.8
140.10490	0.7
174.23680	0.6
208.13109	3.1
293.49689	0.9
312.41940	0.7
364.28232	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	364.2821
Annotation	N-cis-octadec-9Z-enoyl-L-Homoserine lactone
Peak:m/z	Relative Intensity
53.82256	0.7
57.13443	0.7
61.46082	0.7
68.57214	0.8
79.37300	0.8
100.60524	0.8
122.32752	1.0
151.28192	0.9
158.55939	0.9
222.14603	2.0
364.28232	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	364.3208
Annotation	Terminaline
Peak:m/z	Relative Intensity
50.74511	0.7
52.16290	0.8
53.27883	0.7
55.05513	1.4
57.07084	21.3
66.41525	0.8
67.05505	3.4
69.07074	4.2
69.82925	0.9
71.08643	12.0
74.09723	75.3
81.07066	3.8
83.08601	1.1
93.07027	4.5
95.08599	4.3
95.57484	0.8
97.06503	1.1
97.10175	1.9
99.08118	6.4
107.08672	1.1
109.06527	1.6
109.10164	5.4
112.14034	0.9
119.08615	1.8
123.11697	0.9
126.32784	0.8
127.00611	1.0
133.10153	1.4
135.11746	1.9
142.12244	0.9
147.11621	1.6
150.92064	1.0
165.12740	7.3
166.53398	0.9
170.15402	1.5
175.14880	1.0
179.14339	1.5
184.13336	1.2
184.16875	1.5
196.17009	1.3
260.22662	0.8
266.24692	6.5
291.23215	8.9
364.32092	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0844
Annotation	Atovaquone
Peak:m/z	Relative Intensity
66.73728	0.9
68.93161	1.0
73.03770	1.2
92.18977	1.0
110.29842	1.1
115.71342	1.1
177.04930	1.3
203.05208	2.2
253.55034	1.1
275.07083	1.4
277.00418	1.1
299.56348	1.3
336.35703	1.2
341.82132	1.2
356.75208	1.5
365.08344	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0843
Annotation	Atovaquone
Peak:m/z	Relative Intensity
51.27687	1.0
51.34882	1.0
70.56834	1.0
75.68671	1.1
91.93298	1.2
94.93013	1.4
97.53701	1.1
101.51833	1.1
110.74213	1.2
126.13815	1.1
208.97298	1.5
269.27695	1.3
332.92407	1.2
365.08371	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12617	0.6
70.06575	4.8
72.08157	0.7
74.38732	0.8
78.58206	0.6
84.04498	0.9
84.08141	3.3
86.09690	1.4
87.30186	0.8
91.05488	1.2
98.06033	0.9
99.04424	0.9
108.04474	18.8
110.06060	1.8
119.04906	0.9
120.04462	1.3
120.08128	0.9
121.10167	0.8
122.02383	53.1
122.06017	4.8
124.03923	4.0
124.07587	1.8
126.01592	0.8
128.10732	1.2
137.04662	0.9
138.05518	3.5
140.03452	3.3
140.07063	7.1
147.04390	4.6
148.03902	3.3
150.05505	4.3
152.07031	11.7
154.05060	1.7
156.06534	1.1
164.03430	5.3
165.04190	13.4
166.04985	42.9
167.10625	1.3
168.06546	36.9
168.10982	1.3
170.08118	24.1
182.04480	99.6
183.05234	12.1
184.06071	1.4
186.12167	0.9
196.06049	100.0
197.06883	1.6
198.07680	1.2
219.04771	3.4
245.09230	1.2
273.08707	4.2
287.10217	3.0
291.09668	2.8
305.11322	1.6
315.09732	5.5
331.68799	0.8
333.10791	59.4
347.12311	1.2
365.03821	1.5
365.08405	37.1
365.13367	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	365.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44963	0.8
71.51482	0.8
76.99996	0.7
81.07111	0.8
84.08171	0.8
87.06690	0.7
88.65313	0.7
97.02891	1.8
97.06483	0.7
98.06034	1.3
106.89936	0.7
122.06060	1.1
125.00593	0.9
131.59114	0.9
138.69994	0.8
140.07066	1.2
141.49590	0.8
152.67149	0.8
166.04991	3.9
168.06572	1.1
176.07042	1.8
177.05435	1.1
188.58539	0.8
199.08742	1.0
200.07240	0.9
203.08162	5.9
204.06630	0.8
205.09921	1.0
217.09885	7.1
227.08200	3.2
228.06726	1.0
230.09430	0.9
230.88594	0.8
241.09778	6.0
242.08121	5.4
244.09856	1.3
245.09244	46.0
247.10857	1.6
250.07024	1.2
259.10840	13.5
263.10266	29.4
269.09171	3.8
270.07593	1.2
273.08737	1.7
277.11780	1.1
287.10291	25.2
291.09738	7.9
305.11325	61.5
315.09769	3.1
323.12433	10.1
333.10922	7.3
365.13501	100.0
365.24054	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	365.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37393	0.7
85.02921	1.3
95.20631	0.6
97.02910	1.0
113.80822	0.7
122.06051	1.2
136.06139	2.7
138.05586	1.2
140.07063	2.8
163.11218	1.0
166.05011	4.2
168.06546	1.2
174.09177	1.1
176.07062	1.3
184.06056	1.0
202.08591	1.2
203.08185	7.1
204.06511	1.3
217.09831	6.7
227.08224	4.8
228.06740	0.8
229.09674	0.9
231.07648	0.8
235.10757	2.9
241.09732	4.6
242.08195	5.0
244.09874	1.0
245.09221	46.9
247.10783	4.0
250.07140	1.2
259.10788	10.2
263.10263	38.0
269.09271	4.0
270.07611	1.0
273.08542	4.8
277.11792	1.1
287.10287	24.4
291.09695	9.6
305.11325	61.2
315.09756	1.4
320.41629	0.8
323.12292	13.9
333.10672	5.0
333.20236	1.1
365.13446	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1571
Annotation	1,1,3,3-tetraphenylurea
Peak:m/z	Relative Intensity
54.73620	0.8
60.04533	1.6
62.44765	0.8
69.33277	0.8
70.06612	6.5
71.06910	0.9
72.08155	1.8
77.13518	0.8
86.09699	1.7
95.06112	1.7
102.05665	1.1
115.08717	1.9
120.08118	4.1
121.08411	1.3
147.04448	1.4
166.04997	1.5
166.08658	1.0
168.06651	1.5
175.11882	1.1
182.04539	4.4
194.09879	0.9
196.06073	2.0
217.13016	5.6
218.13379	4.9
219.43494	1.2
219.58131	0.9
249.83528	0.9
297.88226	1.0
304.57062	1.1
333.11060	1.4
365.08636	25.9
365.15790	100.0
365.20090	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	365.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17343	0.4
61.53271	0.5
67.05499	0.5
67.64649	0.4
68.34428	0.4
69.07091	0.6
79.05499	0.6
81.07062	2.1
83.08656	0.6
84.00127	0.4
92.21085	0.9
93.76322	0.5
97.10168	0.6
98.97553	0.5
107.83775	0.5
120.59489	0.5
122.06041	1.2
133.10201	0.5
137.04680	0.5
141.13684	0.5
145.10077	0.6
152.07071	33.9
152.17799	0.5
166.08640	7.6
194.08131	100.0
210.09189	0.8
212.09172	69.8
227.11748	3.8
240.08905	0.6
241.09738	5.2
255.11279	22.5
273.18518	0.9
283.10818	3.7
291.19473	0.6
297.12488	0.6
301.11853	5.6
365.16422	0.9
365.23593	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	365.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52489	0.2
59.87893	0.3
75.00034	0.4
94.06561	0.3
101.26088	0.3
122.06021	2.7
136.06194	0.4
148.03961	0.4
151.06300	1.4
152.07056	32.1
166.08618	35.1
182.08167	0.5
194.08115	100.0
200.09258	0.4
210.09085	0.7
212.09158	67.9
213.10214	0.7
227.11804	4.3
240.08795	2.7
241.09679	7.6
255.11249	30.2
257.12872	0.5
283.10690	3.7
288.30386	0.4
301.11819	7.3
347.15878	1.3
365.16971	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	365.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34915	3.8
57.03440	9.5
60.01049	4.1
61.03720	3.4
64.06001	4.2
69.07071	5.0
70.06583	5.5
71.04990	7.0
72.08174	4.3
79.05489	24.4
81.07076	9.9
83.06112	18.8
83.63042	3.6
84.04491	8.5
85.02901	17.7
90.05577	16.2
91.05489	5.4
92.20986	3.8
93.07048	20.9
95.05004	5.8
97.06525	27.1
105.07022	15.2
107.08593	100.0
109.06514	5.7
120.08112	52.1
121.10158	54.8
131.08591	9.5
147.04494	5.2
149.09598	96.5
158.97519	4.2
167.10692	75.0
185.11751	31.6
186.09122	8.0
196.06184	7.7
203.08139	23.5
203.12827	43.1
230.12991	15.6
231.11371	9.5
289.52631	5.0
347.17157	9.2
351.20789	4.2
365.06314	5.1
378.73648	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	365.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11402	5.5
57.06161	5.1
57.67983	5.1
59.98730	5.4
74.20345	6.4
79.05508	9.2
81.07000	8.4
88.85636	5.6
99.43441	6.2
106.39522	6.0
107.08602	8.0
109.06483	8.3
116.63630	6.8
125.50748	6.0
135.08049	14.7
141.73070	6.4
194.49278	5.7
230.04686	7.2
259.34189	8.0
323.50189	7.9
365.20377	100.0
375.48370	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	365.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74567	5.1
57.07075	5.3
78.87430	5.3
79.05466	6.6
80.04023	5.6
81.07054	10.1
106.53449	7.4
132.67784	6.4
175.96970	6.6
194.56990	6.4
333.11972	6.3
365.20663	100.0
365.24744	15.9
365.33557	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	365.23
Annotation	15-cyclohexyl pentanor PGF2alpha
Peak:m/z	Relative Intensity
64.31460	0.7
64.50353	0.7
78.07586	0.7
79.05478	0.8
81.07074	1.1
93.07051	0.9
96.72565	0.7
107.08585	1.1
121.10143	1.0
125.66676	0.7
222.40372	0.8
231.06609	0.8
264.32755	0.8
273.18170	1.0
291.19559	1.1
320.36374	1.0
365.22916	100.0
365.26779	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	365.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97525	0.9
55.01888	2.0
55.05531	2.1
57.03442	19.6
62.84373	1.0
67.05509	18.3
68.68199	1.1
69.07062	5.8
69.14762	1.1
71.05001	1.9
71.08630	1.9
79.05509	11.2
81.07055	12.9
83.08648	1.4
85.06547	19.3
91.05504	9.2
93.07052	12.3
95.04971	32.4
95.08601	6.3
97.10165	1.5
99.08083	1.7
105.07050	10.5
107.04955	2.8
107.08591	7.3
109.06534	24.4
109.10154	1.3
112.43813	1.2
113.06001	44.1
117.07010	5.2
119.08583	6.4
120.33409	1.2
121.06505	5.3
121.10180	5.0
125.09628	1.9
129.07014	1.8
131.08562	6.4
133.10139	5.6
135.08054	21.0
135.11707	2.8
143.08575	2.8
145.10135	2.9
147.08061	2.9
151.11186	1.6
157.10182	2.9
159.11642	1.9
161.09627	3.1
163.11195	1.8
173.13278	2.1
175.11209	1.5
183.11720	1.3
191.75075	1.5
217.15945	6.0
273.18475	19.4
291.19571	31.0
347.22458	12.0
365.23105	100.0
365.27805	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	365.2298
Annotation	15-cyclohexyl pentanor PGF2alpha
Peak:m/z	Relative Intensity
52.68969	0.5
57.03447	0.7
59.26460	0.4
60.36050	0.5
62.13488	0.5
65.22243	0.6
65.41368	0.5
67.05501	0.8
74.18867	0.6
77.41247	0.6
81.07090	0.9
82.00452	0.5
90.94662	0.5
93.07014	0.9
95.04974	1.3
95.08603	0.8
105.07053	0.6
109.10180	0.8
113.06015	2.1
119.08585	1.0
121.47128	0.5
126.05314	0.6
133.43320	0.5
145.10176	1.1
209.32515	0.7
240.23175	2.2
291.19431	0.8
307.27072	1.0
325.45337	0.6
338.60187	0.6
365.23044	100.0
365.27887	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	365.2319
Annotation	11beta,17alpha,21-Trihydroxypregnenolone
Peak:m/z	Relative Intensity
55.01880	2.9
55.05511	9.6
57.03434	4.6
67.05504	12.2
69.03430	4.8
69.07076	19.8
72.57134	1.9
79.05481	11.2
81.07053	15.3
82.09154	2.3
83.08620	7.8
88.89358	1.8
91.05486	8.9
93.07043	9.2
95.04980	4.6
95.08599	9.5
97.02878	9.6
97.10173	9.1
98.15533	2.6
102.99918	2.0
105.07049	4.4
107.08628	8.8
109.10155	3.4
119.08584	8.1
121.10162	2.9
125.09692	3.4
127.76731	2.2
131.08557	2.8
133.10104	2.6
135.07974	3.1
181.08708	1.9
223.13281	14.2
247.06557	2.2
268.29852	2.7
273.18460	5.1
291.19519	38.8
347.21521	2.1
365.23102	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	365.2314
Annotation	11beta,17alpha,21-Trihydroxypregnenolone
Peak:m/z	Relative Intensity
54.41080	1.7
54.51133	1.8
55.05510	7.6
60.94048	1.5
62.76449	1.9
67.05503	8.3
69.03432	2.0
69.07062	12.1
79.05472	7.7
81.07059	8.1
85.05266	2.0
85.57127	1.8
91.05493	3.6
93.07043	4.9
94.23770	2.0
96.56731	2.0
97.02863	2.5
97.10181	8.2
100.66176	2.0
105.07050	2.1
107.04958	2.2
107.08591	3.0
109.10136	2.3
117.07072	2.5
119.08591	4.2
125.09701	2.2
148.20279	2.1
162.28281	2.0
223.13269	11.7
249.99989	2.1
273.18326	4.0
291.19482	22.8
365.23056	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2322
Annotation	11beta,17alpha,21-Trihydroxypregnenolone
Peak:m/z	Relative Intensity
55.01878	2.4
55.05521	14.8
56.91438	1.0
57.03442	6.2
57.07113	1.0
67.05511	17.9
69.03430	5.2
69.04540	1.7
69.07076	20.2
71.45075	1.0
79.05497	14.6
80.66314	1.3
80.98877	1.2
81.03410	2.0
81.07072	18.4
83.04990	4.5
83.08615	5.1
85.06583	1.4
91.05468	9.2
93.07046	13.2
94.65646	1.2
95.04964	6.6
95.08607	8.8
97.02905	10.9
97.06537	1.6
97.10181	13.9
105.07050	7.8
105.14476	1.0
107.04989	5.5
107.08598	12.3
109.06520	2.0
109.10139	11.6
111.08083	1.4
117.07050	2.9
119.08625	9.9
121.06490	1.5
121.10136	6.8
123.08099	1.9
124.61784	1.0
125.09636	7.1
131.08575	5.1
133.10100	11.3
135.08095	4.5
135.11720	2.7
137.09637	1.9
143.08554	1.6
145.10141	5.2
147.08011	2.6
147.11653	2.9
149.09663	1.6
151.11195	2.1
155.08684	1.5
158.81898	1.2
159.11705	2.0
171.11789	1.6
173.13246	1.4
175.10992	1.5
189.11194	2.0
205.12189	2.4
223.13309	19.1
273.18536	7.9
291.19522	44.6
347.22308	2.2
365.19556	4.4
365.23270	100.0
365.28287	12.8
365.32611	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	365.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33444	1.8
55.05526	4.0
58.59323	2.1
60.09095	2.5
67.05492	4.3
68.74451	2.3
69.07061	2.5
79.05489	2.9
81.07070	10.7
91.05494	10.3
92.20880	2.5
93.07045	21.2
95.04974	15.9
95.08617	12.2
95.40064	2.4
97.06503	3.9
103.18376	2.4
105.07049	15.9
107.08607	20.9
109.10145	5.6
113.60793	2.8
117.07014	9.6
119.08583	27.0
121.10110	21.6
131.08566	20.1
133.10109	6.2
135.08057	2.9
142.07829	3.6
143.08545	16.1
145.10114	20.3
147.11674	10.8
149.09621	5.2
157.10158	18.9
159.11697	12.1
161.09622	6.3
164.00928	2.8
164.28654	2.7
169.10196	10.3
171.11716	12.1
173.09598	3.7
173.13335	19.4
175.11296	2.7
177.12801	3.9
181.10078	3.8
181.14735	2.4
183.11673	17.9
185.13252	3.5
191.14314	13.7
195.11716	11.5
197.13339	4.1
201.12804	5.1
205.10133	2.6
207.11734	11.8
208.12473	11.5
209.13197	3.6
211.11160	3.2
211.14859	12.1
221.13205	3.2
223.14789	5.4
225.12770	4.2
237.16460	2.7
249.16452	5.7
263.18011	5.4
275.94528	2.5
276.14853	3.0
281.18961	3.2
291.17459	3.9
347.23727	16.7
365.24631	100.0
365.28592	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	365.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	4.4
56.96625	2.6
57.07074	12.1
57.07343	2.4
64.74332	2.3
64.85584	2.3
67.05504	14.3
69.07061	4.1
71.01350	2.1
73.74129	2.7
75.64360	2.2
79.03916	2.2
79.05504	10.1
81.07072	20.0
81.53601	2.3
83.04960	2.3
83.08649	4.0
84.06937	2.6
85.06542	4.7
91.05482	12.1
93.07026	20.2
95.04967	29.1
95.08609	25.2
97.06563	6.1
102.34337	2.5
105.07028	20.9
107.08588	30.0
109.06486	12.1
109.10178	18.7
117.07080	2.8
119.08605	33.5
121.10146	14.4
123.08055	3.0
123.49833	2.6
131.08568	17.5
131.58630	2.9
133.10136	20.4
135.08073	13.2
135.11688	14.3
142.07822	3.3
143.08583	13.9
144.09341	4.7
145.10123	30.5
147.08073	4.0
147.11700	14.1
149.13249	3.5
157.10106	18.2
159.11736	22.5
161.09612	4.8
161.13280	16.8
169.10165	6.0
171.11682	16.6
173.09608	3.8
173.13263	16.3
175.14850	3.5
181.10086	5.0
183.11656	14.3
185.13193	19.1
187.11157	5.9
187.14830	17.4
189.12730	3.2
189.16379	3.0
189.61046	2.8
195.11687	13.9
196.12498	5.4
197.13260	12.8
199.11201	3.1
199.14856	9.8
201.16408	4.9
209.13319	11.9
210.14084	4.1
211.14771	4.6
213.12729	4.5
221.13242	9.4
223.14781	10.5
225.12706	3.5
227.14116	3.8
233.13103	3.6
234.14177	3.3
235.14786	4.8
237.16405	4.6
247.14902	3.6
249.16360	10.5
249.82439	2.7
251.18086	7.9
267.17325	3.0
289.19547	3.3
308.48746	3.0
309.18378	3.5
347.23703	15.4
347.27341	5.3
358.07565	2.7
365.24249	100.0
365.27896	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	365.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58379	1.9
52.72923	1.5
53.36666	1.4
61.96016	1.6
64.27260	1.7
79.05479	2.1
83.03930	1.9
92.20906	1.7
92.21382	8.0
93.07031	3.4
97.06400	1.5
104.72457	1.7
105.07055	1.9
107.08606	7.2
109.10143	3.4
119.08589	2.5
121.10114	3.4
123.11678	2.4
125.88557	1.9
131.08498	1.8
147.11662	2.0
151.02440	2.0
156.56409	1.7
159.11732	8.0
171.11696	2.7
173.13170	2.1
257.19028	3.6
365.22870	98.4
365.26837	100.0
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	16,16-dimethyl-PGE1
Peak:m/z	Relative Intensity
55.05524	0.3
57.06866	0.2
57.07083	3.7
67.05497	0.2
69.07069	0.3
69.70627	0.2
81.07046	1.2
82.56661	0.2
85.06540	2.0
85.10821	0.2
93.07046	0.4
95.05031	0.3
95.08611	1.2
105.07024	0.4
107.08610	0.5
109.06524	1.1
119.08566	0.3
121.10140	0.5
123.08065	1.1
130.11838	0.2
133.10165	0.4
135.08051	0.3
137.05986	0.5
139.64200	0.2
145.10162	0.5
147.11667	0.4
152.08340	0.9
159.11659	0.3
165.09096	1.3
173.13306	0.3
177.12811	0.3
194.13031	0.9
197.13275	0.3
207.13669	0.3
217.40581	0.2
220.83783	0.3
231.42406	0.3
263.20020	1.8
319.26184	0.3
347.25833	15.6
359.33331	0.3
365.26880	100.0
369.31638	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	365.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56899	0.8
57.07088	5.2
58.88316	0.8
65.30926	0.9
69.07070	3.8
81.07056	3.9
83.08614	1.2
85.06548	2.1
93.07051	2.0
95.08605	4.3
107.08606	5.2
109.06536	1.4
109.10182	2.0
111.04465	2.1
119.08579	1.0
121.10117	1.2
133.91083	1.0
135.08084	2.1
135.11707	1.7
137.06013	1.8
189.90324	0.9
228.65187	1.1
263.20068	1.5
284.61630	1.0
300.78452	1.3
305.24625	8.1
319.26373	1.4
347.25833	48.3
358.79343	1.1
365.26938	100.0
381.10504	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	365.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.5
57.03436	0.4
67.05507	1.3
69.07062	1.4
79.05522	0.9
81.07043	2.8
83.08598	0.4
85.07728	0.3
88.40432	0.2
91.05470	1.8
93.07062	3.2
95.05003	0.4
95.08612	3.8
102.84119	0.3
105.07014	3.1
107.08589	3.9
109.06501	0.5
109.10157	3.1
111.08067	0.3
117.07019	0.5
119.08566	2.9
121.10130	2.9
123.08048	0.3
123.11716	1.8
129.07071	0.4
131.08531	1.7
133.06538	0.3
133.10127	2.1
135.08052	0.5
135.11691	1.3
143.08539	1.4
145.10135	2.7
147.07985	0.4
147.11716	2.8
149.09607	0.6
149.13242	1.3
152.01762	0.3
157.10126	2.1
159.11681	2.9
161.09625	0.5
161.13257	2.0
163.14827	0.4
169.10124	1.4
171.11649	1.8
173.13243	1.7
175.11240	0.3
175.14810	0.4
177.12718	0.3
181.10115	0.3
183.11702	1.6
185.13292	1.2
186.20842	0.4
187.14801	1.5
195.11679	0.5
197.13251	1.4
199.14885	1.2
201.16393	1.2
209.13266	1.1
211.14809	15.1
213.16299	2.4
223.14784	0.6
225.16379	4.5
227.17963	0.6
237.16429	2.0
239.17920	1.5
251.17929	1.3
255.17464	0.5
263.17877	0.3
265.19516	0.3
273.18414	1.3
277.19498	0.6
291.19897	0.3
309.22055	1.7
347.22882	0.9
347.27258	4.6
350.25998	3.0
365.23694	6.9
365.28336	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	1.6
57.03436	4.2
67.05508	5.1
69.07070	1.4
73.61254	0.7
79.05494	6.1
81.07056	9.5
83.08611	1.2
88.28220	0.7
91.05467	3.5
93.07064	6.9
95.04964	1.7
95.08605	6.9
97.06528	1.0
99.08076	0.9
105.07009	6.2
107.05000	0.9
107.08608	8.0
109.06516	4.3
109.10155	4.2
111.08044	0.8
111.73590	0.7
117.07010	1.8
119.08590	6.1
121.06518	0.8
121.10151	5.1
122.02496	0.8
123.08025	1.7
129.07025	1.2
131.08577	4.1
133.10138	1.7
135.08040	1.9
143.08559	1.2
145.10152	4.3
147.08058	1.4
147.11699	3.1
149.09612	1.8
157.10023	1.6
159.07976	0.9
159.11665	4.0
161.09598	3.2
161.13210	1.1
163.11163	3.1
169.10037	1.2
171.11685	1.5
175.11157	0.9
183.11740	1.7
189.16481	0.9
195.11707	1.0
199.14830	0.9
203.06863	0.9
211.14841	12.2
213.16364	1.6
221.15381	1.0
225.16356	3.6
237.16319	1.6
273.18466	8.2
291.19501	1.1
309.21973	1.2
347.22144	4.5
347.27258	4.6
350.25839	1.5
365.14056	1.5
365.19196	16.0
365.23328	23.5
365.28351	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	12.0
56.04933	2.5
57.03447	3.1
57.07067	5.0
67.05515	53.9
69.07082	24.0
69.68991	3.0
71.08633	48.7
79.05499	7.9
81.07068	61.0
83.08611	19.9
91.05480	6.8
93.07053	26.7
95.08611	80.1
97.06551	5.0
97.10172	7.0
99.07497	3.9
99.08099	37.6
105.07008	5.6
107.08590	21.2
109.10163	52.1
111.08108	3.5
119.08585	15.4
121.10149	25.4
123.11700	21.1
131.08604	5.4
133.10150	20.3
135.11713	18.9
147.11702	12.7
149.13266	7.2
151.14828	3.3
159.11745	4.1
161.13252	4.0
179.18001	3.5
203.18176	3.1
209.60648	3.2
215.17914	7.1
233.18901	7.6
251.20091	29.1
265.21649	4.2
289.88052	3.5
311.27359	4.5
326.35034	3.1
329.28430	16.8
347.29437	100.0
365.23169	4.9
365.30530	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	365.305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.3
55.05515	14.0
57.03444	3.8
57.07076	3.8
60.38227	1.9
67.05505	49.4
69.07071	17.3
71.05010	3.5
71.08631	57.9
73.96060	2.2
79.05499	18.5
81.07058	56.5
83.04978	2.7
83.08623	10.1
84.90389	2.1
85.06567	2.6
91.05484	5.2
91.40957	2.3
93.07060	25.0
95.04935	2.5
95.08608	73.5
97.06591	3.0
97.10162	10.3
99.08083	33.3
105.07024	11.5
107.04955	2.6
107.08601	30.7
109.10149	55.8
119.08581	14.9
121.10139	22.1
123.11693	14.0
123.12495	2.4
125.09628	3.2
127.11256	3.6
131.08560	5.2
133.10110	11.6
135.11707	20.7
137.13208	3.6
145.10114	9.7
147.11690	4.9
149.13260	11.8
157.10086	2.4
159.11729	10.1
161.13245	5.3
173.13263	2.9
175.14870	4.7
179.17856	3.1
190.21678	2.1
190.65802	2.5
191.18013	4.1
193.95029	2.4
209.15541	2.2
215.17984	19.0
221.18979	2.7
231.21089	4.9
233.18938	14.7
235.20764	2.5
249.22115	8.7
251.20059	40.1
262.75330	2.3
291.19571	3.4
329.28421	18.0
336.34082	2.6
347.29416	100.0
365.22708	14.7
365.30362	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	365.305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	15.3
55.51815	2.6
57.03444	2.8
57.07065	3.3
67.05512	54.7
69.07069	20.3
71.05003	4.3
71.08633	67.6
79.05495	19.2
81.07059	70.1
82.72199	3.0
83.08624	20.4
85.06553	6.6
87.46598	2.9
91.05473	6.9
93.07060	28.1
95.08605	78.1
97.10167	6.7
99.08089	43.2
105.07027	14.7
107.08587	28.2
109.10159	67.5
117.06940	3.6
119.08561	18.5
119.91853	2.9
121.10155	28.5
123.11697	10.7
125.09659	5.1
131.08592	4.6
133.10126	21.8
135.08084	4.3
135.11662	24.3
145.10110	6.6
147.11693	13.8
149.13261	17.5
159.11769	10.1
161.13280	12.2
163.14865	4.9
173.13242	6.6
175.14713	3.8
179.17966	5.2
201.16397	3.0
215.17993	12.0
221.19009	3.8
231.20926	3.5
233.18977	17.2
235.14989	5.6
249.22069	14.2
251.20032	44.4
311.27463	4.7
311.72784	4.2
329.28366	20.4
347.22394	3.7
347.29407	100.0
365.23151	14.5
365.30569	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	365.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37704	4.5
67.23331	4.1
70.03667	4.1
77.26624	4.2
86.86460	4.0
88.56644	5.3
103.20892	4.3
109.47968	4.6
113.46977	4.8
142.14461	4.1
164.05295	4.7
232.49284	4.9
335.34180	22.3
338.96735	5.2
347.34131	10.7
365.35278	100.0
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	Unknow
Peak:m/z	Relative Intensity
54.93131	0.4
62.02668	0.4
68.09895	0.4
81.07049	0.6
83.36839	0.5
86.68587	0.4
88.61701	0.4
93.07027	0.5
95.08606	0.6
117.28976	0.4
133.10158	0.4
149.02383	0.7
182.01051	0.4
291.06622	0.7
294.07724	1.0
305.06863	1.0
306.07721	0.7
308.05576	2.7
320.05743	0.7
321.06491	0.6
322.07129	9.0
323.08121	0.7
333.06247	0.5
334.07217	0.7
335.07837	3.5
336.05060	7.0
338.10254	4.2
350.06781	2.1
351.07370	4.5
366.09732	100.0
366.23175	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	366.097
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70008	0.5
52.98158	0.6
62.92787	0.6
84.41143	0.8
92.21075	0.6
249.07620	0.7
260.07056	0.9
261.08017	1.5
262.08591	3.6
274.27026	0.7
276.06625	1.6
277.07364	2.8
278.08057	2.5
289.07458	1.3
290.04498	8.7
290.08127	7.7
291.08926	5.7
292.06073	4.8
292.09671	4.0
304.00555	0.7
304.06116	0.7
305.06845	20.9
306.07611	16.2
307.08435	8.4
318.03970	35.9
319.08420	4.5
321.09998	3.0
322.10812	4.6
333.06311	49.9
335.07745	8.8
336.05087	3.9
348.08667	26.6
351.07236	1.0
366.09723	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	366.0968
Annotation	6-Methylpretetramide
Peak:m/z	Relative Intensity
54.93131	0.4
62.02668	0.4
68.09895	0.4
81.07049	0.6
83.36839	0.5
86.68587	0.4
88.61701	0.4
93.07027	0.5
95.08606	0.6
117.28976	0.4
133.10158	0.4
149.02383	0.7
182.01051	0.4
291.06622	0.7
294.07724	1.0
305.06863	1.0
306.07721	0.7
308.05576	2.7
320.05743	0.7
321.06491	0.6
322.07129	9.0
323.08121	0.7
333.06247	0.5
334.07217	0.7
335.07837	3.5
336.05060	7.0
338.10254	4.2
350.06781	2.1
351.07370	4.5
366.09732	100.0
366.23175	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	366.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44411	0.4
53.03922	0.4
55.01889	0.6
57.03432	2.7
61.02933	1.3
64.36417	0.6
69.03433	6.9
71.01359	0.7
71.04984	2.9
73.02901	0.6
75.97762	0.6
80.47142	0.5
81.03437	0.6
86.09692	0.9
99.04463	3.7
120.17165	0.5
133.07600	3.3
145.07607	10.2
147.04443	0.9
161.07129	0.7
163.06581	0.6
163.08652	16.0
163.09882	1.0
173.07141	0.6
175.08647	4.3
177.06636	2.3
182.04556	0.6
189.06595	6.7
191.08099	0.8
200.09604	1.0
201.10234	1.0
205.09729	2.2
207.07648	100.0
214.06087	2.3
215.08118	1.0
232.07126	6.8
248.80475	0.6
249.12274	0.7
261.12421	1.4
279.13434	7.4
287.10294	0.7
292.92340	0.6
305.11261	5.0
316.59027	0.6
323.12350	24.7
348.11871	2.8
364.18646	0.7
366.12952	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	366.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.10628	0.1
78.00749	0.1
81.07065	0.1
85.16953	0.1
92.20937	0.2
136.06197	2.1
157.24551	0.1
164.08530	0.1
176.07071	0.2
251.16206	0.1
268.87521	0.2
276.10172	0.3
293.10278	0.2
304.09628	2.0
305.10477	0.6
308.13007	0.5
320.09378	0.3
320.12817	2.3
321.10083	0.9
322.07700	0.2
322.10742	6.0
323.11447	0.2
332.09161	1.6
333.09991	0.6
334.10532	0.8
336.08649	0.9
336.12384	1.3
337.13171	0.2
338.13879	1.3
348.12280	0.9
348.20428	0.2
350.10211	23.0
351.11029	6.8
364.11597	0.2
366.13345	100.0
366.22656	3.3
374.83337	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	366.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12708	0.3
59.75383	0.4
61.50567	0.4
79.31116	0.4
136.06165	2.0
137.53036	0.4
151.97552	0.5
161.05962	0.9
175.14378	0.5
194.11455	0.5
200.10762	0.5
276.10098	0.6
277.10959	0.7
290.07959	3.3
294.11166	1.7
304.09708	2.6
305.10541	27.0
308.09055	0.8
318.07675	1.0
320.09256	5.1
322.10803	8.3
323.11450	0.6
333.09933	4.2
334.10648	9.5
336.08652	41.3
348.08737	1.7
350.10251	5.8
351.11017	24.1
366.13354	100.0
366.22623	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	366.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75051	0.3
59.61613	0.3
70.88082	0.3
77.12492	0.3
92.20891	0.3
111.36926	0.3
111.54122	0.3
136.06204	1.7
304.09631	2.2
305.10513	0.8
320.12802	2.6
322.10715	5.3
332.09250	0.6
336.08655	0.8
336.12241	0.7
338.13861	0.9
350.10217	20.7
351.10974	6.2
366.13361	100.0
366.22638	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	366.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12708	0.3
59.75383	0.4
61.50567	0.4
79.31116	0.4
136.06165	2.0
137.53036	0.4
151.97552	0.5
161.05962	0.9
175.14378	0.5
194.11455	0.5
200.10762	0.5
276.10098	0.6
277.10959	0.7
290.07959	3.3
294.11166	1.7
304.09708	2.6
305.10541	27.0
308.09055	0.8
318.07675	1.0
320.09256	5.1
322.10803	8.3
323.11450	0.6
333.09933	4.2
334.10648	9.5
336.08652	41.3
348.08737	1.7
350.10251	5.8
351.11017	24.1
366.13354	100.0
366.22623	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	366.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37905	0.2
72.67139	0.2
79.67420	0.2
96.73465	0.2
136.06157	3.2
175.31276	0.2
246.47011	0.3
255.20596	0.3
276.10257	0.3
304.09705	2.4
305.10605	0.4
308.12714	0.5
320.12943	2.2
321.09973	1.2
322.10690	6.4
332.09137	1.4
333.09937	0.6
334.10782	0.3
336.08691	1.0
336.12442	1.7
338.13702	0.6
348.12241	0.6
349.12845	0.3
350.05859	0.6
350.10233	22.3
351.11026	6.4
366.13373	100.0
366.22827	3.3
371.62662	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	366.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97768	0.9
53.03946	2.1
53.18154	0.9
55.01877	4.5
55.05516	1.1
56.07060	1.1
57.03439	2.5
61.02927	2.8
69.03432	25.0
71.04990	4.7
73.02911	5.7
76.20752	1.0
79.22657	1.1
81.03426	12.4
83.08600	2.0
85.02910	81.9
87.00835	32.3
88.67348	1.2
90.52113	1.2
93.04484	1.2
95.06105	5.1
95.08610	1.4
97.02894	27.5
99.04465	14.1
105.01871	61.0
109.02880	23.8
110.07169	100.0
111.08069	2.0
115.03857	1.4
127.03916	67.0
128.23573	1.1
129.01816	2.5
130.73276	1.2
135.64079	1.3
136.35237	1.0
145.04965	28.5
145.10141	1.4
147.02867	1.5
149.38045	1.0
151.33467	1.2
156.07675	41.8
159.02867	13.7
171.49266	1.2
189.03978	1.5
192.75957	1.1
199.93121	1.1
209.11739	2.8
213.03969	1.6
231.04942	25.4
233.88171	1.2
234.20929	1.1
248.07574	1.5
249.06006	15.6
269.13739	2.6
284.17410	1.5
295.11746	6.5
302.18564	4.3
313.12665	6.8
320.19675	2.3
331.13699	2.6
348.19275	3.5
366.20361	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	366.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.4
55.01876	5.0
55.27103	0.8
55.47271	0.9
56.09501	0.7
57.03440	4.3
60.93016	0.8
61.02934	4.8
69.03434	28.6
70.52953	0.8
71.04990	3.8
71.54682	0.9
73.02914	5.0
73.05047	0.8
81.03422	16.4
85.02910	100.0
87.00833	39.8
97.02893	25.5
99.04448	13.4
105.01875	85.2
108.04438	1.2
109.02882	36.1
115.03917	1.2
127.03919	68.3
129.01814	4.0
145.04964	23.8
147.02895	1.3
159.02881	10.9
171.03000	1.2
189.03935	3.6
213.03979	4.0
231.05014	27.5
249.06064	21.9
326.29724	1.2
331.13815	6.0
342.58759	1.0
366.17618	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	366.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.8
55.29957	0.3
55.61319	0.3
59.18625	0.3
70.06602	2.8
72.08159	39.5
74.06084	0.5
84.04508	2.1
84.08145	0.7
85.02863	0.4
86.09708	10.2
95.24074	0.4
102.05537	5.4
110.07156	1.6
120.06634	3.1
120.08103	100.0
129.10229	0.8
130.05002	1.6
136.07588	2.4
137.05972	2.1
147.04414	0.4
155.08118	3.5
157.13428	0.6
166.08630	3.7
173.09271	2.2
182.08110	2.5
185.12845	2.6
201.08719	4.2
201.12306	0.6
213.03145	0.5
219.14932	23.3
237.12315	2.2
245.05768	0.9
247.14403	22.4
249.12317	0.9
253.11694	0.6
267.13391	0.8
277.11771	0.5
348.19171	5.8
366.05841	1.2
366.16263	0.9
366.20453	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	366.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04531	17.5
63.77033	0.5
69.03455	0.8
70.02957	1.4
72.04535	0.7
72.28861	0.6
81.07085	0.9
84.30990	0.6
86.09711	74.5
87.05093	1.3
87.05595	24.0
93.07045	3.0
94.57446	0.7
95.08585	0.9
95.12220	0.7
99.04395	0.9
109.10171	0.9
119.08624	0.7
120.08105	53.4
123.11709	1.1
128.10704	8.4
132.10226	1.4
135.75844	0.8
144.08070	1.5
144.82465	0.8
156.10204	0.8
162.09161	9.0
166.08615	15.7
173.12854	100.0
187.13440	0.9
189.64261	0.8
194.08131	0.8
195.08511	2.7
197.28262	0.8
201.12329	44.4
207.11276	31.4
212.09087	0.8
213.09477	0.8
223.10805	1.7
224.11063	4.1
235.10754	14.5
256.11526	1.3
279.17065	1.2
292.83682	1.0
299.35522	0.8
309.11072	0.8
310.11118	4.8
334.11026	2.8
355.44037	0.9
366.13272	4.2
366.20544	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	366.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12736	1.4
54.99548	1.1
55.05507	1.7
57.03447	2.5
58.37820	1.1
67.05509	2.8
69.03414	16.1
69.07060	7.9
70.02673	1.2
70.04064	2.2
70.06581	1.7
71.04990	6.4
74.06087	12.0
81.03430	9.6
81.07050	7.5
83.08598	2.4
85.02902	22.7
85.06534	2.0
87.00838	6.1
87.04483	1.3
89.07882	1.3
91.05466	6.6
93.07051	3.2
97.02878	18.9
99.04491	14.7
105.01872	9.6
105.06984	2.3
107.08596	19.6
109.02878	5.5
109.06527	2.9
109.10153	59.5
113.05981	2.8
120.08109	11.0
123.11705	12.5
127.03923	36.6
127.07553	12.8
133.10126	71.4
145.04961	19.7
151.11180	100.0
166.53383	1.4
167.10422	1.4
169.12231	41.2
173.12886	2.6
176.10686	2.2
187.13289	90.7
215.81581	1.3
221.97998	1.3
223.10692	2.2
224.11032	5.7
231.05002	17.0
231.08290	1.6
245.09103	1.6
246.09497	8.4
249.06021	22.7
249.12296	2.9
264.10571	5.2
274.07730	1.3
288.10608	3.3
298.58575	1.3
302.21063	10.3
306.11679	12.9
310.11090	5.5
330.20566	1.7
334.10983	5.3
334.75174	1.5
334.95837	1.6
335.20316	1.5
348.21674	2.7
366.13754	27.8
366.19815	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	366.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03310	0.8
69.07051	0.7
76.58048	0.7
80.05013	0.8
81.07066	0.9
94.59866	0.8
105.06948	0.7
107.08604	1.2
114.18725	0.8
135.43214	0.8
144.60341	0.8
149.89067	0.8
152.51268	0.7
164.55910	0.8
206.84320	0.8
210.11002	50.8
217.20320	0.7
238.14163	1.5
247.36317	0.7
306.24219	4.6
366.22519	100.0
366.26245	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	366.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
67.45017	0.5
74.07054	0.5
80.34888	0.5
80.91399	0.5
206.15196	3.0
210.11002	11.5
219.97757	0.8
250.14116	8.7
366.22546	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31766	0.4
52.82592	0.4
53.48450	0.4
57.47417	0.4
57.48668	0.4
57.93322	0.6
61.56200	0.5
66.17622	0.4
67.05491	0.7
81.07071	0.8
89.09361	0.5
94.69848	0.5
105.07052	0.7
120.15436	0.5
168.82809	0.5
178.12053	4.8
199.79446	0.5
222.09006	1.0
222.11023	16.4
222.13037	1.0
258.95694	0.5
278.76624	0.5
306.24258	0.9
314.29819	0.6
366.22537	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14074	0.7
55.01878	1.5
55.05518	9.5
57.07067	1.3
60.71035	1.0
62.10334	0.7
67.05505	7.4
69.03429	1.1
69.07062	4.0
79.05491	5.6
81.03439	0.9
81.07055	9.0
83.08636	6.1
84.08159	1.5
86.54942	0.8
91.05448	1.8
93.07028	6.6
95.04955	7.8
95.08598	5.8
97.10160	19.4
104.11980	0.9
105.07048	3.3
107.04936	0.9
107.08581	12.7
109.06513	1.2
109.10170	4.0
111.08086	2.1
119.08593	1.3
121.06459	1.1
121.10149	1.4
123.08079	1.5
123.11703	1.2
125.09624	20.4
131.08562	1.1
135.08058	4.2
135.11713	3.7
138.12808	1.5
140.14351	19.0
145.10132	2.1
147.11623	1.4
149.09604	1.8
153.09076	1.3
154.12262	6.2
157.12224	1.1
159.11711	1.1
163.11195	4.9
165.12779	1.4
177.12784	1.5
182.15417	3.9
185.32632	0.9
203.12814	1.4
208.13356	1.7
232.15614	0.9
236.16473	1.7
257.19159	0.9
268.19223	0.9
274.21472	6.1
275.20047	4.7
292.22656	11.3
293.21017	1.6
306.24146	8.3
307.22702	14.4
324.25427	4.6
334.23740	1.7
348.29633	1.0
349.27042	1.6
366.09775	4.2
366.26382	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	366.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91876	1.4
55.05508	11.8
55.62624	1.5
59.13116	1.4
67.05500	9.0
69.07088	2.2
71.08656	2.4
79.05494	2.4
81.07047	7.9
83.08626	3.7
91.05505	2.0
93.07036	7.2
95.04958	3.4
95.08601	3.9
97.10168	9.9
107.04916	2.2
107.08596	7.3
109.10136	3.3
109.34203	1.6
119.08558	2.6
121.10101	2.3
125.09621	12.0
132.58211	1.6
140.14345	16.1
154.12245	7.0
163.11142	3.7
180.13930	2.3
203.71036	1.9
208.13474	2.6
209.57806	2.0
274.21716	3.1
275.19873	3.8
292.22766	12.2
306.24304	10.0
307.22690	19.6
324.25366	7.6
366.09610	4.0
366.26410	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.4
58.19119	0.6
67.05511	6.7
68.81678	0.6
69.03434	1.2
69.07072	1.3
79.05518	0.8
81.07073	7.6
83.08643	0.8
86.06072	100.0
87.04467	13.5
93.07020	1.6
95.08601	6.2
104.06436	1.3
104.07108	22.5
107.08578	1.0
109.10164	3.2
121.10145	0.8
135.11655	0.6
149.93456	0.6
157.00516	0.7
174.51204	0.6
183.60915	0.7
186.00610	0.7
251.58841	0.8
263.23688	2.5
366.09442	5.8
366.25977	0.7
366.30023	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	367.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86507	0.7
53.12996	0.7
55.01873	1.5
55.05517	1.6
60.05656	0.8
74.00661	5.7
81.07056	1.1
83.08614	4.7
84.04487	1.4
84.05612	2.0
86.07193	23.2
87.02645	0.9
87.07992	0.9
90.01260	5.2
98.03543	1.2
99.08103	0.8
107.56204	0.7
112.05091	99.8
113.05867	5.6
113.37011	0.9
116.02818	3.2
126.05521	24.8
129.46877	0.8
144.02263	35.3
144.06560	13.1
165.04012	7.5
166.06145	1.9
170.05583	3.8
177.00151	1.0
178.01053	11.6
184.07202	5.4
191.04730	7.9
201.09863	2.0
216.04321	1.4
226.23647	1.0
233.06987	15.3
278.09888	26.8
367.14673	100.0
376.74435	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	367.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20056	1.5
59.26308	1.7
60.04521	2.1
69.03438	2.6
70.06599	2.9
71.39735	1.5
72.08153	3.0
72.24421	1.4
72.93118	1.7
74.06084	1.5
84.08141	7.9
85.02905	9.9
86.09715	8.3
87.05574	2.1
88.04034	2.3
97.02901	3.7
97.41168	1.8
103.03960	2.7
109.59914	1.8
110.07172	9.0
111.07503	2.2
116.03433	2.1
118.06557	3.9
118.43320	1.8
120.08115	38.1
121.08459	15.9
129.10284	4.0
130.05049	1.8
130.06541	32.7
132.08102	16.6
136.07603	12.0
144.08109	32.8
146.06020	63.4
146.07167	2.6
154.05087	2.0
156.08104	37.2
157.06110	2.1
158.09575	1.9
160.07536	4.1
166.08757	2.6
168.08102	20.9
170.05994	12.8
172.06044	8.2
177.10194	3.1
180.08138	2.2
182.06018	2.2
183.09229	22.2
184.07518	7.2
185.10773	3.0
186.09222	2.1
188.07071	89.4
194.09682	3.0
198.09193	2.2
201.10394	2.2
202.08571	9.8
205.09694	2.9
212.07011	3.5
217.09743	2.5
218.06630	6.6
220.11710	2.4
223.10814	2.5
224.15788	2.2
229.09717	81.7
230.08224	4.4
244.09686	2.5
252.15401	3.0
254.08078	2.4
258.11166	17.9
271.10840	8.1
276.12314	16.0
303.13519	9.5
331.12952	22.5
332.11386	19.8
349.14001	100.0
367.15039	26.6
367.19656	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	367.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78225	0.5
53.78493	0.5
55.01865	0.6
57.54703	0.5
67.05503	2.8
69.03387	0.5
69.07077	1.2
71.05001	0.6
71.08637	0.8
79.05487	1.4
80.80179	0.5
81.07059	4.3
83.08632	1.0
85.06564	0.6
87.95230	0.5
91.05479	1.1
92.40073	0.5
93.07053	2.6
95.04954	0.8
95.08619	3.1
95.35047	0.6
97.06494	0.9
105.07040	3.8
107.08604	3.7
109.06530	0.7
109.10158	1.2
111.08033	0.6
117.07018	1.2
119.08576	2.9
121.10135	2.4
125.09647	0.8
129.06972	0.7
131.08586	2.4
133.06543	0.9
133.10141	3.0
135.08066	0.6
137.09656	0.7
141.06969	0.6
145.10124	1.1
147.04285	0.7
147.11673	0.9
149.09587	1.3
159.08032	2.2
159.11662	1.0
160.05193	3.0
161.05951	2.5
161.13277	1.1
163.11230	0.7
166.06242	6.2
167.04942	0.9
168.13799	0.7
169.06499	1.0
171.08066	0.9
173.13264	0.7
174.06721	0.8
175.03955	0.6
175.07532	6.0
181.08598	11.0
184.05144	0.7
187.14951	0.6
190.06247	19.4
190.07922	0.9
191.07054	1.3
196.16959	7.4
199.07562	7.6
205.08595	48.2
213.19611	1.2
215.35532	0.6
219.17729	0.6
233.09714	1.1
257.19000	0.7
261.09103	5.2
262.09833	1.2
273.05862	0.5
273.09055	4.4
274.09842	0.8
275.10660	2.4
275.20023	6.6
276.11420	2.7
277.08655	3.7
278.09302	1.2
287.10712	0.9
288.07730	1.0
289.08572	10.1
290.09369	2.4
291.10123	2.4
292.10706	1.9
293.08707	0.7
293.11649	5.6
303.10147	6.1
304.10898	8.5
305.08173	5.1
305.11673	31.5
306.09030	1.0
307.13354	3.1
309.11166	2.4
319.09845	1.2
320.10403	4.4
321.08377	1.0
321.11188	47.9
335.12704	9.6
336.13544	64.7
337.10678	7.0
349.23749	5.8
352.13104	4.2
367.15399	100.0
367.29388	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	367.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
65.63127	1.3
67.05491	5.1
72.17870	1.3
74.63374	1.3
79.05511	1.7
81.07056	3.3
83.08609	1.3
91.05493	1.7
93.07072	1.2
95.08622	2.9
105.07046	5.4
107.08606	2.2
131.08536	1.5
148.03177	1.5
148.07774	1.4
159.08113	3.5
160.05191	2.3
161.05983	1.3
166.06230	5.7
171.08075	1.7
175.07553	6.6
181.08549	11.1
190.06215	22.2
199.07516	9.9
205.08595	58.1
205.10381	2.5
223.67133	1.5
233.09628	1.9
261.09113	5.6
273.09131	2.9
275.10730	1.7
275.19980	2.8
277.08728	1.8
288.08087	1.5
289.08600	9.7
291.10229	1.8
292.11026	2.1
293.11716	5.9
303.10318	6.5
304.10986	11.0
305.08234	5.3
305.11621	30.0
307.13437	2.2
309.11295	2.6
320.10214	2.3
321.11166	55.5
335.12921	11.4
336.13528	65.1
337.10849	7.3
352.13040	2.6
367.15390	100.0
367.20038	5.3
367.25113	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	367.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31634	0.5
57.03442	3.4
61.25698	0.6
62.02460	1.6
69.03433	13.3
71.01340	1.2
71.05005	4.8
78.69637	0.6
81.03436	4.6
86.07198	1.1
90.01265	0.9
97.02891	1.3
99.04472	7.1
100.29096	0.8
112.05093	9.1
117.05494	4.1
126.05521	2.6
127.04984	0.6
131.08557	1.1
133.02829	4.7
135.00021	0.7
135.06566	3.7
137.05992	3.0
144.02269	4.4
144.06584	1.5
145.07608	0.7
147.09189	7.9
159.09195	7.5
165.05457	0.7
173.07074	1.1
175.08687	3.3
178.01131	0.7
185.10773	4.3
187.08705	3.5
190.09753	58.6
191.08153	73.7
197.10797	0.8
199.08818	0.7
199.12283	1.4
202.09760	0.7
206.44028	0.7
215.11847	3.1
225.10262	4.0
227.11795	1.0
233.06982	0.8
233.09251	0.8
243.11238	4.5
245.09351	1.0
245.12822	2.6
246.43680	0.7
253.09793	3.0
263.13959	3.5
271.10724	8.2
278.10007	1.3
289.11819	14.5
295.70358	0.7
306.14487	19.3
307.12927	5.7
324.15494	9.8
349.14282	0.8
367.16019	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.2
59.58738	1.1
67.05500	2.8
69.07061	2.3
71.04978	1.3
79.05489	3.2
81.07042	8.4
83.80046	1.2
91.05457	1.7
93.07041	2.5
95.08580	5.7
97.06512	1.5
98.93775	1.4
105.07027	5.9
107.08591	2.9
109.06519	7.1
109.10149	2.9
119.08560	5.2
121.10105	1.8
133.10129	1.7
138.10844	1.6
140.81853	1.4
145.10162	2.3
159.11700	2.2
261.11530	6.8
275.20013	7.1
277.11008	1.8
279.12692	39.1
286.21661	2.5
297.13770	27.7
331.15976	1.8
349.16837	9.1
349.23764	6.8
350.23328	2.4
367.18439	100.0
367.25055	7.8
367.28467	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	367.1881
Annotation	Bortezomib  
Peak:m/z	Relative Intensity
57.70761	3.5
60.73800	3.7
84.44733	5.0
121.77399	5.1
219.30074	4.1
269.10681	9.6
275.20294	5.0
278.09149	4.0
287.11670	8.2
294.27484	4.6
296.04810	4.4
367.18509	100.0
385.18854	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	367.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80586	0.5
53.75179	0.4
56.05035	2.5
56.18718	0.5
60.05654	20.7
63.06258	0.6
67.05495	1.3
70.06588	0.6
74.06085	1.0
74.15256	0.6
76.05081	0.6
79.05489	0.6
81.07028	0.6
91.05475	1.3
93.07057	1.2
94.06548	0.7
95.08587	1.3
96.05595	2.7
102.05534	1.0
102.18133	0.6
105.07044	1.0
107.04959	3.5
107.08595	0.9
108.04462	0.6
109.02900	1.0
111.06659	1.3
119.08549	1.2
120.04431	0.9
120.08094	1.1
122.06025	1.1
124.05094	0.7
133.10132	4.0
134.06024	1.2
136.07542	1.1
143.08479	1.1
161.09590	4.7
163.11182	3.0
164.62912	0.6
178.34840	0.6
179.10625	2.4
180.06505	1.2
189.09087	20.1
204.13736	1.4
206.11786	3.1
216.13872	1.2
218.15398	0.9
220.14465	1.3
223.14383	1.0
224.12910	0.8
234.14880	2.9
244.13203	4.5
248.14018	1.2
250.14433	3.9
261.16043	0.7
262.14328	17.8
266.14951	4.9
272.12900	0.6
279.17072	3.6
289.15344	1.0
290.13818	5.8
291.18024	0.7
304.16589	0.7
307.16470	8.1
308.14877	14.0
309.19189	2.4
325.17639	1.3
349.18497	0.8
367.19739	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	367.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80586	0.5
53.75179	0.4
56.05035	2.5
56.18718	0.5
60.05654	20.7
63.06258	0.6
67.05495	1.3
70.06588	0.6
74.06085	1.0
74.15256	0.6
76.05081	0.6
79.05489	0.6
81.07028	0.6
91.05475	1.3
93.07057	1.2
94.06548	0.7
95.08587	1.3
96.05595	2.7
102.05534	1.0
102.18133	0.6
105.07044	1.0
107.04959	3.5
107.08595	0.9
108.04462	0.6
109.02900	1.0
111.06659	1.3
119.08549	1.2
120.04431	0.9
120.08094	1.1
122.06025	1.1
124.05094	0.7
133.10132	4.0
134.06024	1.2
136.07542	1.1
143.08479	1.1
161.09590	4.7
163.11182	3.0
164.62912	0.6
178.34840	0.6
179.10625	2.4
180.06505	1.2
189.09087	20.1
204.13736	1.4
206.11786	3.1
216.13872	1.2
218.15398	0.9
220.14465	1.3
223.14383	1.0
224.12910	0.8
234.14880	2.9
244.13203	4.5
248.14018	1.2
250.14433	3.9
261.16043	0.7
262.14328	17.8
266.14951	4.9
272.12900	0.6
279.17072	3.6
289.15344	1.0
290.13818	5.8
291.18024	0.7
304.16589	0.7
307.16470	8.1
308.14877	14.0
309.19189	2.4
325.17639	1.3
349.18497	0.8
367.19739	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	367.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45703	0.6
56.05039	16.5
60.05643	5.2
65.15252	0.7
70.06618	0.7
74.06073	1.3
76.05121	1.2
79.05482	0.7
81.07060	1.0
81.98665	0.7
86.09714	1.3
95.08635	1.4
96.05640	1.3
98.07175	4.0
111.05607	0.9
122.06061	1.0
137.07173	1.0
139.05002	1.1
159.25632	0.8
160.11208	0.8
176.28021	0.9
177.13872	0.8
178.12207	0.9
180.06607	1.2
180.09993	1.6
189.58070	0.8
196.13275	1.0
207.10138	1.5
220.14368	1.3
223.14320	9.5
224.12717	1.1
233.16483	1.2
236.16417	1.2
238.15460	6.6
246.15036	3.0
253.15503	3.0
260.17542	3.2
261.15912	6.9
262.14218	1.0
263.17429	8.4
264.15948	4.2
266.14948	1.3
268.16418	0.8
279.17065	14.7
281.18610	13.6
288.17059	4.5
306.18188	1.7
307.16440	6.8
308.14975	1.6
316.12955	0.8
323.20889	6.7
325.17557	20.2
332.16013	5.0
350.16968	1.1
367.19745	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	367.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20448	0.5
53.90826	0.5
54.01401	0.4
56.41755	0.5
59.92942	0.5
67.05508	0.9
81.07053	2.3
83.04987	0.7
92.55318	0.5
93.07036	0.5
95.08582	0.8
97.06511	0.5
105.07008	0.7
107.08585	0.8
119.08592	0.5
121.10142	0.4
125.94518	0.5
149.57927	0.6
172.28976	0.5
240.74348	0.5
275.19971	0.6
349.23755	2.4
367.20886	100.0
367.24707	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	367.209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05528	0.8
57.03420	0.7
57.07084	0.9
67.05512	1.7
69.07060	1.1
79.05486	1.5
81.07053	1.9
91.05439	1.3
93.07033	0.9
95.08633	1.3
97.06575	0.8
100.46079	0.7
105.07029	3.0
107.08568	1.3
109.10160	1.6
114.95830	0.8
118.18275	0.7
119.08578	1.3
120.00822	0.7
121.10107	1.8
129.06995	1.0
131.08531	0.9
133.10129	1.8
135.11697	0.7
136.06186	0.9
142.35562	0.7
149.02333	7.7
149.09596	1.0
163.11308	1.1
168.17226	0.8
174.34540	0.8
214.75394	0.8
270.57388	0.9
275.20035	3.6
349.23709	1.9
352.07309	1.0
367.20862	100.0
367.24908	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	367.2457
Annotation	JWH 018 4-hydroxyindole metabolite-d9
Peak:m/z	Relative Intensity
51.60154	0.5
56.91363	0.5
60.88862	0.5
64.18450	0.6
81.07063	1.1
86.53863	0.5
91.44212	0.5
95.08629	0.6
98.48805	0.6
101.10201	0.6
101.28872	0.6
102.23927	0.5
104.44595	0.5
109.10177	0.6
119.08582	0.7
133.10199	0.6
138.67061	0.6
143.08508	0.8
145.10130	0.8
147.11635	0.7
224.82884	0.7
239.17911	0.7
349.23911	0.9
367.24533	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2472
Annotation	Cortolone
Peak:m/z	Relative Intensity
53.03958	2.0
54.28469	1.2
55.01871	2.9
55.05510	11.2
57.03444	14.1
59.04995	5.2
62.03799	1.3
67.05509	39.5
69.03439	1.6
69.07071	23.0
71.04984	1.6
73.23003	1.2
74.38542	1.2
79.05497	24.1
79.05927	2.2
81.07059	69.1
83.04961	5.9
83.08199	1.4
83.08605	10.3
85.06547	2.4
91.05470	19.7
92.21448	2.0
93.07043	32.3
95.04957	7.5
95.08601	30.3
97.06514	8.4
97.10136	2.8
99.08071	1.4
105.07020	26.3
107.04935	5.4
107.08598	25.6
109.06518	6.8
109.10181	19.9
110.40277	1.2
111.08075	3.4
117.07004	2.6
119.08575	24.1
121.06451	3.0
121.10127	17.3
123.08068	6.8
123.11691	5.4
125.09637	3.0
127.51791	1.4
131.08568	12.6
133.10120	18.8
135.08020	5.7
135.11703	7.0
137.09665	2.5
137.13300	1.6
145.10109	8.7
147.11682	15.8
149.09613	8.3
149.13190	2.2
151.11214	1.8
157.10094	5.8
158.94724	1.4
159.11700	9.5
161.13248	2.5
163.11166	6.2
165.12761	2.3
171.10187	1.3
171.11682	5.4
173.13229	7.3
185.13344	2.2
205.05357	1.4
227.12564	1.7
229.19469	2.4
239.17833	1.4
257.18942	7.6
269.17383	1.7
275.20032	35.2
293.21140	2.0
339.08588	7.3
349.23703	29.3
352.11398	1.7
367.08109	3.3
367.20816	9.8
367.24768	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2475
Annotation	Cortolone
Peak:m/z	Relative Intensity
53.03956	1.9
55.01870	8.4
55.05521	19.1
57.03446	12.6
67.05509	38.8
69.07072	30.3
71.04997	2.2
79.05496	29.7
81.07066	88.0
83.04983	3.6
83.08626	21.7
83.75129	1.6
85.06532	2.0
87.08108	1.5
91.05489	22.5
92.21261	3.5
93.07048	41.9
95.04971	8.1
95.08617	34.2
97.06542	19.1
97.10177	7.1
99.08104	2.6
105.07043	32.9
107.04961	10.2
107.08601	32.8
109.06502	18.8
109.10179	21.2
111.08048	2.8
117.07033	10.7
119.08584	32.8
121.06522	3.4
121.10139	21.5
123.08079	8.0
123.11719	7.6
125.09640	2.1
129.07083	2.6
130.16328	1.7
131.08597	16.8
133.10129	29.4
135.08080	7.6
135.11678	8.7
137.09612	4.1
145.10141	21.5
147.11684	20.6
149.09622	17.4
149.13298	6.7
151.11134	6.5
155.08624	1.7
157.10132	6.4
159.11714	13.9
161.13232	7.3
163.11224	14.4
165.09045	1.7
165.12720	2.7
169.10155	2.1
173.13240	8.6
175.11201	2.6
177.12807	2.1
178.94112	1.7
179.14345	1.5
183.11739	2.4
191.14339	2.1
229.19508	2.3
239.17957	3.4
247.20605	3.5
252.40294	1.7
257.19031	7.6
275.20050	71.3
293.21231	7.1
337.16876	1.6
349.23755	63.3
367.24805	100.0
367.29428	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	367.2477
Annotation	Cortolone
Peak:m/z	Relative Intensity
50.72015	1.4
53.03964	2.0
55.01881	12.6
55.05521	25.8
56.50044	1.4
57.03442	7.8
58.13557	1.5
61.54536	1.6
67.05514	36.2
69.07075	14.1
71.08633	13.0
73.70539	1.6
78.34106	1.6
79.05074	2.7
79.05497	47.7
81.03402	2.9
81.07065	34.8
82.42348	1.7
83.04987	22.0
83.08622	16.7
91.05475	25.5
93.07043	29.8
95.04962	7.0
95.08614	21.4
97.06530	9.2
97.10182	21.2
99.08086	7.6
105.04446	1.8
105.07030	30.2
107.04945	17.3
107.08600	44.3
109.06537	2.8
109.10172	21.3
111.08095	3.6
117.07018	9.2
119.08585	24.9
121.06483	1.9
121.10142	24.2
123.11697	4.2
125.09622	22.0
129.06871	1.5
131.08549	13.5
133.10115	18.4
135.08084	6.3
135.11694	3.7
137.09607	2.3
139.11113	1.8
145.10135	15.7
147.11681	11.9
149.09616	54.5
153.09137	2.2
159.11649	7.3
161.13255	4.0
163.11122	3.2
171.11818	2.1
173.13254	3.6
177.12759	2.5
187.13239	2.0
188.74876	1.9
189.11201	6.9
195.33490	1.7
209.15367	7.2
227.12816	3.8
229.19556	3.9
239.17953	2.0
245.13853	9.9
257.19028	11.8
275.20071	57.0
293.21048	9.0
349.23730	100.0
365.51935	1.8
367.24576	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	367.2477
Annotation	Cortolone
Peak:m/z	Relative Intensity
55.05519	8.8
57.03239	1.8
57.03450	31.6
58.77604	1.7
58.97967	1.7
62.17422	1.8
63.33699	1.7
63.90954	2.0
67.05511	17.5
69.07071	8.9
79.05497	19.6
81.07071	23.6
83.08634	8.8
85.06551	8.7
87.28339	2.3
91.05482	25.1
92.12004	1.7
93.07050	38.5
95.04983	2.8
95.08598	32.8
97.06512	2.0
102.16096	2.0
105.07030	39.3
107.04968	2.4
107.08601	26.9
109.06525	10.6
109.10159	11.8
111.08085	2.4
117.07027	12.3
119.08591	39.8
121.06524	2.7
121.10151	16.8
121.48374	2.0
123.08099	2.7
123.11700	2.2
126.05681	2.1
129.06963	12.1
131.07059	9.6
131.08583	25.2
133.10141	26.7
135.11694	12.2
143.08566	11.6
145.10110	31.9
147.11681	22.2
149.09627	11.8
157.10110	10.5
159.11699	31.5
161.13261	10.5
163.11200	4.2
169.10086	3.5
171.11693	3.5
173.13283	17.5
175.14874	9.4
183.11731	4.0
185.08263	2.4
185.13268	39.3
197.13231	4.3
201.16434	10.9
203.14357	20.5
211.14789	2.2
219.17422	46.5
239.17909	12.3
257.18991	29.0
275.20047	71.0
293.21069	4.3
295.19162	3.5
349.23743	100.0
367.24759	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	367.2472
Annotation	Cortolone
Peak:m/z	Relative Intensity
51.40666	1.1
51.76493	1.3
55.05516	7.5
57.03441	9.9
57.37562	1.2
67.05516	16.6
67.17841	1.4
69.03426	2.4
69.07072	10.1
71.04998	3.5
79.05495	11.9
81.07057	27.0
83.04970	2.1
83.08627	3.5
85.06577	1.9
87.30080	1.4
89.82610	1.3
91.05478	8.2
93.07042	20.1
95.04980	3.7
95.08620	16.4
97.06558	8.2
97.10185	2.8
105.07034	9.7
107.04974	1.7
107.08569	16.4
109.06499	2.5
109.10165	8.2
109.66467	1.3
111.08092	3.0
117.06997	2.5
118.83241	1.5
119.08572	11.6
121.06505	1.7
121.10164	14.2
123.08079	3.6
123.11679	1.8
125.09635	3.1
131.08591	7.6
133.10156	9.6
135.11684	5.5
145.10139	9.2
147.11702	7.5
149.09665	7.3
157.10231	1.6
159.11700	6.6
161.13333	2.6
163.11205	6.5
169.10133	1.6
171.11745	2.6
173.13252	2.2
174.55406	1.6
179.14391	1.8
205.15923	2.4
208.13188	1.5
239.17938	2.8
257.19016	5.9
275.20068	29.8
293.21115	3.8
349.23694	16.7
364.23132	1.8
367.24698	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2477
Annotation	Cortolone
Peak:m/z	Relative Intensity
55.01879	2.9
55.05518	15.0
57.03436	9.2
64.00858	2.4
65.03368	2.3
65.31172	2.2
67.05498	11.5
69.07072	22.6
69.74786	2.1
71.08292	2.2
71.08643	45.4
73.12150	2.3
79.05484	6.1
81.03378	2.8
81.07047	11.1
83.08643	3.4
91.05468	3.8
93.07046	4.7
95.08610	4.3
97.10157	6.1
99.08103	19.8
107.08595	6.1
109.10133	3.9
121.10178	4.1
125.09650	3.9
159.11771	2.5
167.10780	2.7
214.13161	2.8
260.17831	2.6
275.20081	12.4
293.21115	100.0
367.24811	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	367.2477
Annotation	Cortolone
Peak:m/z	Relative Intensity
51.80744	1.3
55.01890	1.8
55.05524	10.5
57.03425	2.7
57.07091	2.0
61.76900	1.2
66.03253	1.2
67.05508	15.4
69.07074	15.8
73.99992	1.3
79.05494	16.7
81.07076	26.3
83.05000	3.6
83.08627	8.2
83.44788	1.5
91.05476	14.9
93.07046	25.3
95.04964	5.9
95.08622	20.8
97.06524	3.3
97.10183	2.3
105.07037	23.2
107.04978	6.5
107.08607	23.2
109.06497	10.3
109.10171	8.1
117.07037	5.8
119.08591	19.8
121.06515	14.5
121.10164	14.7
123.08084	8.7
123.11729	2.3
131.08549	23.9
133.06433	2.1
133.10143	29.9
135.08067	9.5
135.11703	6.8
137.09584	3.3
143.08528	2.6
145.10100	14.6
147.08093	6.0
147.11696	17.1
149.09636	9.4
149.13254	2.5
151.11186	6.5
157.10143	2.3
159.11685	13.1
161.09657	3.2
161.13231	3.3
163.11217	6.4
165.12769	1.7
169.10051	1.7
171.11697	2.8
173.09634	3.2
173.13225	9.7
175.11177	2.8
177.12740	2.2
187.11238	2.6
189.12770	1.8
191.14322	5.9
197.13142	2.0
201.12589	1.8
215.17805	2.0
219.13846	3.0
239.17911	2.6
247.20679	6.1
257.19095	13.2
275.20068	85.2
293.21011	9.5
307.99719	1.7
349.23724	100.0
365.08246	1.5
367.24811	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	367.2477
Annotation	Urocortisol
Peak:m/z	Relative Intensity
54.97297	2.1
55.05518	11.0
57.03442	4.1
67.05509	14.7
67.28233	2.3
69.03410	2.5
69.07076	22.6
71.08631	32.4
73.17244	2.1
79.05499	15.7
81.07073	14.9
83.08601	4.3
86.50070	2.4
91.05471	3.9
91.26739	2.2
93.07034	5.8
95.08617	5.4
97.10175	10.6
99.08080	20.8
105.07053	5.7
107.08604	12.0
109.10172	5.7
112.64967	2.2
119.08553	5.0
119.16509	2.4
121.88017	2.2
125.09624	3.6
131.08563	4.9
133.10149	4.0
135.08054	2.9
141.23485	2.3
163.35864	2.7
219.17424	23.2
275.20065	13.5
293.21088	84.9
293.24130	4.5
316.47751	2.3
349.23651	12.4
361.56354	2.5
367.24768	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	16.2
55.62004	2.9
57.03429	13.2
59.04592	2.8
60.75913	3.2
61.67876	3.3
67.05502	21.4
69.07071	4.4
71.08630	45.6
78.86912	3.0
79.05509	19.6
81.07059	22.3
83.08587	7.0
91.05483	13.9
93.07056	13.9
95.04962	4.0
95.08611	13.1
97.10178	27.1
99.08080	17.5
105.07050	4.9
107.08617	13.8
109.10158	6.0
111.08128	3.9
116.92940	3.0
119.08553	4.7
125.09653	4.2
133.10228	5.2
172.02075	4.3
189.11252	5.3
275.20160	26.1
293.21024	60.6
311.58435	3.7
349.35013	3.8
367.24750	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2475
Annotation	Urocortisol
Peak:m/z	Relative Intensity
50.42667	0.8
55.01875	4.1
55.05523	16.8
57.03438	8.1
67.05514	17.2
69.03419	2.9
69.07069	27.2
71.04980	1.0
71.08631	36.4
79.05489	11.6
81.03410	3.2
81.07056	16.1
83.04998	3.6
83.08623	7.8
91.05487	4.1
93.07036	10.3
94.95125	0.8
95.04971	4.5
95.08595	9.3
97.10175	12.7
99.08098	16.8
100.09103	0.8
105.07031	1.7
107.04970	1.2
107.08596	10.2
107.59889	0.8
109.06513	1.2
109.10158	7.2
111.04475	0.9
111.11714	1.5
114.39520	0.9
117.06987	3.4
119.08585	4.6
121.06479	1.1
121.10162	3.5
125.09647	7.9
131.08553	1.6
133.10135	1.9
135.08040	1.1
135.11725	1.5
139.11217	1.0
141.12759	0.8
147.57346	0.9
149.13289	1.1
151.11221	0.9
167.10687	1.8
177.12802	1.2
189.11264	3.1
230.44933	0.9
247.20633	1.2
275.20010	12.7
293.21094	100.0
367.24789	98.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2477
Annotation	Cortolone
Peak:m/z	Relative Intensity
52.27419	0.9
53.00314	1.2
53.03945	0.8
55.01892	1.4
55.05523	16.3
56.89461	0.9
57.03446	12.4
64.05267	0.9
67.05512	21.3
67.66203	0.9
69.03422	2.0
69.07069	6.1
71.05022	0.9
71.08273	1.8
71.08637	28.6
72.98756	0.8
77.55131	0.9
79.05495	15.0
80.50885	1.0
81.07058	25.7
81.69970	0.8
83.04982	2.2
83.08636	9.1
85.06540	1.0
91.05503	7.2
93.07038	14.2
95.04961	3.7
95.08605	13.6
97.06530	4.3
97.10173	23.3
99.08090	16.3
105.07025	8.2
107.04991	2.0
107.08600	20.3
109.06566	1.3
109.10162	10.5
109.39843	1.1
117.07030	5.7
119.08601	4.8
121.06537	1.5
121.10182	3.8
123.11737	2.1
125.09634	20.3
127.11187	1.3
131.08591	5.2
133.10152	7.3
135.08061	2.1
135.11714	4.3
143.08549	1.4
145.10168	5.3
147.11687	2.1
149.09677	2.0
149.13278	3.9
151.11148	1.7
159.11682	4.8
161.13344	1.2
163.11217	1.3
165.12750	2.0
171.10188	1.6
173.13278	1.9
175.14720	1.1
177.12744	1.9
185.13213	1.6
187.14850	1.1
189.11205	9.9
199.83466	1.0
219.17500	1.8
227.12738	1.3
257.19089	2.1
275.20044	18.5
293.21094	100.0
311.02783	2.1
349.23981	6.6
367.24847	84.7
367.29929	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	367.259
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20378	0.5
55.01874	0.6
55.05520	1.3
55.27605	0.5
55.70598	0.5
56.91440	0.5
67.05510	4.4
69.07065	3.8
71.04990	0.6
77.08345	0.7
79.05515	4.5
79.65863	0.6
81.07065	11.0
83.04971	0.7
83.08629	2.4
88.58911	0.6
91.05475	4.1
93.07030	8.1
95.04987	1.1
95.08610	9.3
97.06543	1.5
97.10192	2.2
103.87514	0.7
105.07022	4.4
107.04980	1.5
107.08593	7.4
109.06542	1.0
109.10152	5.0
110.09695	1.1
111.08064	1.5
116.27396	0.7
117.07014	3.5
119.08572	5.6
121.06471	2.7
121.10160	9.3
123.04431	1.3
123.08067	2.9
123.11700	2.7
125.05972	0.6
129.07002	1.0
130.07742	0.6
131.08557	8.7
133.10135	7.2
135.08075	3.4
135.11678	7.0
137.09605	2.7
139.11200	0.7
143.08530	1.4
145.10130	8.5
147.08026	3.6
147.11670	4.8
149.09651	5.1
149.10686	0.6
149.13254	3.1
151.11118	1.1
152.14355	0.7
157.10129	3.0
159.08066	0.9
159.11722	6.9
161.09604	6.6
161.13272	3.2
162.12759	0.6
163.11209	2.8
163.14796	0.7
165.12711	1.0
167.03874	0.6
167.10625	0.9
169.10124	1.5
171.11671	5.8
173.09624	1.1
173.13258	4.7
175.11143	4.4
175.14848	0.8
177.09055	0.8
177.12799	3.1
181.09975	0.9
183.11723	1.0
185.13261	3.6
185.53061	0.6
187.11200	2.6
187.14755	1.1
188.14333	0.8
189.09113	0.8
189.12772	2.9
193.12251	1.1
199.11127	1.3
201.12721	1.2
203.12694	0.7
203.14435	0.9
205.12260	1.1
206.52084	0.6
207.13814	1.0
209.13298	0.7
216.13828	3.6
217.12218	1.1
223.14709	0.9
227.17909	0.7
230.15416	0.8
231.20998	1.1
241.19499	6.4
244.17061	2.5
251.17928	4.6
258.22104	8.1
259.20493	7.7
268.20526	3.9
269.18921	10.3
275.19986	1.4
277.21600	1.6
279.12732	1.4
279.17542	0.9
286.21643	22.5
287.20053	54.3
297.13708	1.0
297.18491	11.3
304.22632	9.9
305.21097	17.9
314.21063	0.8
315.19528	27.3
315.23068	1.4
333.20663	12.0
349.23834	2.6
350.23264	97.4
366.88126	0.7
367.21191	5.1
367.25876	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	20.8
57.07080	7.5
62.71587	3.2
64.04432	3.2
65.84163	2.5
66.69171	3.3
67.05515	32.6
68.07249	3.2
69.03422	6.5
69.07069	21.1
71.04990	5.7
71.88382	3.5
73.29395	3.3
73.55654	3.1
73.71944	2.9
79.05499	23.2
81.07060	50.0
83.04962	3.5
83.08616	11.5
85.06554	4.3
91.05476	34.5
93.07043	81.1
95.04955	34.3
95.08612	54.8
96.05292	4.6
97.06528	15.0
105.07043	74.8
106.07344	5.4
107.08597	80.0
109.06504	16.9
109.10168	49.3
117.06992	13.4
119.08585	100.0
120.09090	3.3
121.06471	7.7
121.10152	61.4
123.08055	5.3
123.11705	13.4
128.06206	4.1
129.06998	14.2
130.07883	4.3
131.08572	67.1
132.08942	5.4
133.10152	70.3
134.10469	4.0
135.08058	19.1
135.11665	17.9
142.07768	12.7
143.08569	41.7
144.09254	8.0
145.10129	88.9
146.07297	4.3
146.10509	5.6
147.08047	25.3
147.11713	23.1
149.09625	20.5
155.08531	15.2
156.09280	20.6
157.10143	64.1
158.10628	7.1
159.08025	7.5
159.11691	43.1
160.11966	4.9
161.09598	37.9
161.13200	6.1
164.11513	4.0
167.08629	3.5
169.10065	23.0
170.10808	7.1
171.11697	34.1
172.12210	13.9
173.09698	10.5
173.13231	27.5
175.11160	6.7
175.14815	18.6
181.10092	6.0
182.10696	5.5
183.11638	19.5
184.12119	3.6
185.09676	4.6
185.13266	21.2
187.14850	14.5
189.12889	3.4
194.10928	7.3
195.11723	15.4
196.12321	6.8
197.13269	17.2
198.13712	3.9
199.14883	12.5
201.16202	3.8
207.11612	4.7
208.12381	4.3
209.08617	3.6
209.13257	28.7
209.98952	4.0
210.13831	5.2
211.14821	14.4
213.16353	4.9
223.14662	7.5
224.15300	4.3
227.14250	27.2
229.15872	4.8
238.16779	4.2
239.17818	5.2
255.17451	3.6
256.17773	5.1
257.18948	4.3
265.19522	4.8
293.18921	4.2
349.25018	36.5
367.26114	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	367.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78110	0.6
67.05518	1.4
69.07057	0.6
81.07067	1.0
85.28923	0.7
91.05488	1.3
93.07063	1.0
95.08613	1.1
105.07010	0.9
107.08627	1.3
109.10147	1.4
111.92427	0.6
119.08610	1.0
147.32677	0.7
190.06233	1.4
205.08614	3.5
206.73273	0.7
238.87080	0.6
289.08710	0.7
304.10974	1.0
305.11710	2.9
321.11368	4.8
335.12714	0.9
336.13449	4.6
349.23651	1.2
367.15143	6.1
367.28214	100.0
378.73770	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	367.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	0.8
67.82060	0.6
69.07047	0.8
81.03364	0.6
81.07056	1.2
92.21219	0.6
95.08608	2.9
105.07031	1.1
107.08574	0.9
109.06484	0.6
109.10141	0.9
121.10151	0.6
147.11749	1.2
157.10271	0.7
159.11687	0.8
170.99492	0.8
174.99010	1.2
185.01068	2.3
189.00557	4.5
199.02608	0.9
203.02145	3.0
275.20102	1.3
285.06314	11.4
343.37701	0.6
349.23654	1.2
354.43716	0.8
367.28198	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.4
62.95510	0.6
64.33813	0.5
67.05507	2.4
69.07080	2.3
74.03080	0.5
77.34837	0.6
79.05475	2.1
81.07065	2.7
82.24773	0.5
82.71330	0.5
83.08628	0.8
87.34841	0.6
89.29333	0.6
91.05485	1.4
93.07058	2.7
95.08606	3.5
95.34259	0.6
96.97965	0.5
97.10162	0.7
105.07024	2.4
107.08597	3.9
109.06558	0.8
109.10204	1.0
117.06969	0.7
119.08607	2.9
121.10171	1.3
131.08603	1.1
133.10126	1.4
135.11705	0.7
145.10182	1.4
147.11694	2.2
149.09601	1.0
159.11760	0.7
161.09540	0.7
161.13312	1.0
173.13167	0.7
173.89082	0.6
174.77705	0.6
203.14186	0.7
219.17439	8.8
257.19012	0.9
275.20010	3.5
349.23840	7.9
366.08231	0.7
367.28247	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11433	2.0
67.05514	15.5
69.07081	5.1
79.05497	13.5
81.07063	25.8
83.05003	2.4
83.08609	9.3
91.05496	5.4
93.07037	17.4
95.08618	25.6
97.06480	2.1
99.53416	2.5
105.07039	11.0
107.08604	19.7
108.93769	2.0
109.10185	8.5
110.72900	2.1
114.09216	2.0
117.07027	4.0
119.08555	18.3
121.10142	16.7
129.07013	2.5
131.08572	13.2
133.10130	12.0
135.08052	4.0
135.11708	15.4
143.08582	3.6
145.10127	12.5
147.11705	10.1
149.09598	2.8
149.13263	9.0
157.10046	8.9
159.11668	10.0
163.32281	2.2
171.11655	5.3
173.13359	3.5
175.11130	3.1
175.14836	3.4
185.13293	11.6
189.12685	4.5
199.14819	3.3
203.14374	2.4
213.16426	2.9
275.20078	2.6
287.23639	5.2
297.22174	5.6
314.24741	14.3
315.23157	24.3
332.25854	34.1
333.24237	20.5
349.23645	3.5
349.28366	3.7
350.26941	22.0
367.25247	3.8
367.29556	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64040	0.8
55.05506	4.1
55.11905	0.9
57.03426	1.3
57.07076	1.3
67.05510	20.1
69.07070	9.5
79.05501	15.4
81.07061	29.7
83.08625	9.7
85.06541	2.2
86.06057	1.4
91.05494	10.4
92.93196	0.9
93.07050	27.2
94.95092	1.0
95.04956	2.0
95.08603	25.3
97.06537	2.6
97.10168	5.6
100.07629	1.1
105.07034	16.0
107.04926	1.4
107.08598	25.8
109.06509	1.9
109.10150	10.8
111.08061	1.9
117.07008	7.0
119.08575	18.8
121.06467	1.9
121.10135	22.5
123.08042	1.3
123.11689	2.0
125.09592	1.8
129.06993	1.3
131.08575	15.5
133.10114	15.2
135.08073	6.4
135.11703	19.1
137.09621	2.2
139.11217	1.6
143.08557	6.8
145.10123	22.5
147.08069	2.4
147.11667	12.1
149.09601	6.2
149.13280	5.3
157.10132	5.1
159.11690	15.3
161.09618	2.5
161.13242	7.2
163.11188	5.9
163.14793	1.8
171.11729	8.0
173.13292	10.2
175.11180	4.9
175.14752	1.2
177.12714	1.8
183.11662	1.9
185.13284	8.2
187.14853	5.6
189.12743	6.6
191.14201	1.4
197.13268	1.7
198.06265	1.1
199.14828	5.0
201.16411	1.4
203.14308	2.1
206.15489	1.5
213.16382	2.6
217.15913	2.6
219.17467	2.2
231.17427	1.7
234.18501	2.1
235.16927	2.1
237.18587	1.5
249.18604	1.5
257.18982	1.8
275.20071	6.2
279.21097	4.1
287.23721	8.5
297.22116	12.5
305.24576	1.3
314.24731	14.1
315.23187	38.2
332.25827	45.1
333.24252	28.7
335.98990	1.2
349.23709	12.5
349.28430	4.6
350.26874	26.6
367.25156	6.3
367.29520	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	6.1
57.03437	1.2
65.62591	0.9
67.05509	26.4
69.07075	8.7
69.41286	1.1
71.04999	1.2
71.08626	1.0
78.41465	0.9
79.05505	13.9
81.06618	1.7
81.07068	39.5
83.08640	9.8
85.06553	1.9
91.05496	9.7
93.07050	24.6
95.04941	1.6
95.08609	36.6
97.06534	4.4
97.10166	5.8
99.08121	2.0
105.07044	12.9
107.04960	2.3
107.07932	1.3
107.08603	25.3
109.06539	2.0
109.10159	16.5
111.08089	2.1
112.08847	0.9
117.04681	1.0
117.06989	8.6
119.08566	13.0
121.10152	29.6
123.08089	1.2
123.11714	5.2
125.09594	1.8
128.10699	1.2
129.07018	2.2
131.08582	15.5
133.10126	12.2
135.07977	1.1
135.11690	23.3
137.09634	1.8
137.13171	1.2
139.11176	1.5
143.08554	5.7
145.10133	16.1
147.11671	11.7
149.09659	4.4
149.13263	11.4
153.12724	0.9
156.13779	1.1
157.10120	2.5
157.45677	1.1
159.11696	20.5
159.12923	1.7
161.09631	2.1
161.13248	4.1
163.11172	5.7
163.14801	2.2
169.10088	1.1
171.11670	4.6
173.13252	9.5
175.11186	4.3
175.14864	4.3
177.12813	2.1
185.13306	7.5
187.14836	2.5
189.12718	4.1
189.16354	1.3
192.13991	1.1
199.14824	5.4
201.16258	1.1
203.14278	1.7
203.17894	1.0
206.15256	1.2
213.16345	1.6
217.16003	1.0
218.94514	1.2
220.41673	1.2
240.92447	1.0
249.18398	2.3
267.24045	0.9
275.20084	5.1
287.23746	8.0
289.25287	2.2
297.22134	10.1
304.26349	4.5
305.24814	1.9
314.24768	12.3
315.23193	42.8
332.25797	36.1
333.24231	12.2
349.23669	4.1
349.28525	5.4
350.26938	32.3
367.25049	4.3
367.29532	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	6.9
57.03443	0.9
57.07089	4.7
57.08937	0.5
59.05003	1.0
60.04536	7.5
60.21373	0.5
66.88393	0.6
67.05506	7.3
69.07072	15.0
71.04996	0.7
71.08626	2.7
76.77286	0.5
79.05502	0.9
81.07058	12.8
83.08631	12.2
84.08115	0.8
85.06529	3.2
85.10189	1.0
86.06071	0.7
88.07635	2.1
91.05492	1.0
92.20884	0.5
93.07048	3.6
95.08613	14.1
97.06521	2.3
97.10175	10.0
97.86485	0.5
100.07633	2.4
104.02562	0.6
105.07024	2.2
107.08611	3.8
109.10154	9.3
111.08075	2.5
111.11745	2.9
114.09159	1.2
114.12822	6.4
119.08585	3.7
121.10118	4.9
123.11719	4.6
125.09604	0.8
128.10718	1.1
131.08513	0.6
133.10136	3.6
135.11699	3.3
137.09656	1.2
137.13266	2.5
140.03297	0.5
142.12259	0.7
145.10167	0.8
147.11676	3.1
149.13219	0.7
151.14903	0.8
156.13860	0.9
161.13272	2.5
163.14847	0.7
175.14871	1.0
177.16400	0.7
210.18521	8.2
252.19879	0.7
253.03404	0.6
273.25684	2.0
291.26794	3.9
307.31189	3.2
308.29471	13.6
325.32156	11.7
350.30469	1.4
367.33228	100.0
382.42166	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	367.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	4.8
57.07072	3.1
60.04535	8.4
64.13060	0.5
67.05501	6.1
69.07072	13.6
71.08660	2.2
79.05490	2.5
79.27306	0.5
79.75313	0.5
81.07067	13.9
83.08622	10.5
85.10195	1.3
91.05475	1.1
93.07036	4.0
95.04856	0.6
95.08598	13.4
97.06541	1.3
97.10165	11.0
100.07645	2.5
103.60501	0.6
104.63440	0.5
105.07098	1.9
107.08601	3.2
109.10169	8.8
109.82948	0.5
111.08069	1.1
111.11727	1.5
114.09164	0.7
119.08591	3.1
121.10149	3.9
123.11709	5.6
125.09589	0.9
128.10794	0.7
133.10109	4.9
135.11699	2.9
137.13268	1.2
142.12343	1.1
142.15912	7.2
147.11678	4.5
149.13286	0.7
151.11156	0.7
161.13252	2.4
175.14835	0.9
182.15392	6.3
189.16325	0.8
196.17073	0.8
199.18033	0.9
224.16426	0.9
273.25754	1.5
291.26773	4.4
307.31302	1.0
308.29462	18.1
325.32159	16.7
350.30417	1.1
367.33188	100.0
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
54.22740	0.6
55.05519	4.8
57.07077	3.5
60.04536	5.3
64.30830	0.6
67.05520	5.8
69.07070	11.3
69.42516	0.7
71.08624	2.1
72.04560	0.5
78.37659	0.5
79.05491	1.5
81.07070	11.3
83.08627	10.3
85.06544	0.7
85.10152	0.6
86.06064	0.7
91.05487	0.9
92.29551	0.5
93.07043	3.0
95.08601	12.2
97.06532	3.0
97.10182	8.0
99.08112	0.6
100.07607	3.2
105.07030	2.3
107.08585	3.0
109.10152	7.4
111.08043	0.7
111.11699	1.2
114.09161	1.2
119.08582	1.1
121.10184	4.9
123.11691	2.7
124.16277	0.6
125.09679	0.5
126.09156	0.6
128.14378	0.6
133.10129	3.6
135.11687	3.4
137.13263	1.0
142.15944	6.6
147.11661	2.4
149.13217	0.8
156.30756	0.7
161.13242	1.4
165.12732	0.6
175.14743	1.0
182.15358	7.3
184.16982	0.8
199.17726	0.6
224.16469	1.3
241.92816	0.6
273.25784	1.0
291.26840	3.8
298.61935	0.7
300.26611	0.6
307.31012	7.7
308.29471	36.6
325.32138	40.6
350.30527	0.9
367.10275	1.0
367.33185	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05528	7.4
55.89873	0.8
57.07081	1.9
60.23824	1.0
62.22651	0.9
63.55848	0.8
67.05508	34.1
69.07066	14.7
79.05489	16.0
81.07062	52.6
83.08617	17.4
84.08114	0.9
85.06562	1.1
91.05478	9.6
93.07040	28.0
95.08607	56.6
97.06517	7.5
97.10165	10.8
99.08069	1.6
105.07036	5.6
107.08601	19.7
109.10148	29.4
111.08070	6.0
111.11716	2.0
114.09148	1.6
119.08589	9.0
121.10143	45.6
123.08106	1.7
123.11688	9.3
125.09636	1.6
131.08586	2.3
133.10115	10.7
135.11687	35.1
135.12698	2.0
136.04085	1.0
137.09639	1.8
137.13225	1.1
145.10153	2.0
147.11687	6.9
147.82436	1.1
149.13234	12.9
151.14679	1.0
159.11716	1.7
161.13206	4.7
163.14787	4.3
169.86429	0.9
175.14777	2.3
187.14932	1.0
198.02219	1.0
233.19009	1.2
237.18443	1.2
287.27490	1.3
305.28662	1.2
306.88611	1.1
315.26819	7.6
332.29495	4.8
333.27884	31.3
350.30515	100.0
367.24387	2.2
367.33188	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	368.0764
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05637	0.7
62.24491	0.6
67.05470	0.5
68.63503	0.5
72.46504	0.5
79.05489	0.7
81.07044	0.9
91.05495	5.6
95.08641	0.8
107.08630	0.6
119.04970	4.8
134.14935	0.6
137.06093	0.6
144.04442	1.2
149.02365	7.9
149.05986	32.9
159.04420	0.8
174.05516	16.2
175.03951	0.6
177.01842	8.0
177.05440	2.9
183.89047	0.5
184.52077	0.6
190.05013	1.0
193.01376	0.9
202.04941	0.5
218.04350	0.6
264.06668	0.7
276.03674	0.7
276.06555	17.6
277.04742	0.6
280.05988	1.3
292.06061	2.7
294.07635	1.2
306.07343	0.6
310.06998	0.7
320.05588	2.8
322.07098	31.0
323.07983	0.8
332.05588	0.8
340.08200	8.4
350.06586	39.0
350.23676	0.6
351.07513	0.9
368.07642	100.0
368.20410	4.3
368.25424	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	368.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85924	0.2
57.03444	0.3
61.02919	0.5
69.03429	1.8
69.32901	0.2
70.06601	1.6
70.58064	0.2
71.04982	0.2
72.08153	0.5
73.02895	0.3
79.74616	0.2
81.03414	1.0
83.44358	0.2
84.04502	0.3
84.08160	0.3
85.02909	5.3
97.02878	1.5
99.04467	0.2
109.02880	0.5
110.07154	0.4
120.08083	0.4
127.03933	1.0
132.04453	0.9
136.07581	4.9
141.06654	0.3
145.04987	0.5
156.07635	0.3
160.03749	0.2
165.05446	0.3
178.04997	32.3
182.08136	0.3
206.04492	100.0
368.09726	3.4
368.13754	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	368.1128
Annotation	Capnoidine
Peak:m/z	Relative Intensity
65.34383	0.4
69.03420	0.7
69.07085	0.6
69.61610	0.4
85.02890	0.9
97.02913	0.8
105.01868	0.6
127.03954	1.0
143.20692	0.4
145.05003	0.7
147.56133	0.5
153.12784	0.8
154.10033	0.5
171.13756	2.1
231.05034	0.5
252.84294	0.5
269.84796	0.5
277.07260	3.3
278.08060	5.3
289.07288	4.6
292.06128	5.3
294.07709	0.8
295.08307	1.0
306.07620	30.2
306.11249	1.0
307.08374	11.8
307.11676	0.9
310.10797	4.7
320.05713	0.7
321.09958	26.2
322.07327	3.0
322.10718	55.2
324.08600	3.5
324.12408	2.1
334.06964	2.3
335.07843	3.2
336.08691	0.8
336.12317	0.8
337.09247	1.1
338.06580	0.8
338.10217	2.2
350.10324	6.0
352.08350	3.8
352.11789	3.9
353.08856	7.9
353.12744	2.7
367.71777	0.8
368.11237	100.0
368.14960	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	368.1126
Annotation	Lys-Asp-OH
Peak:m/z	Relative Intensity
52.65128	0.2
56.91082	0.2
65.77682	0.2
77.19250	0.2
84.88979	0.2
120.60415	0.2
135.22240	0.2
166.87935	0.2
226.96255	0.2
259.76477	0.3
278.07935	0.3
294.07538	1.3
308.09137	10.1
310.07169	0.3
310.10733	0.8
324.12341	1.1
336.08463	0.8
338.10275	1.0
340.11948	0.5
352.11810	1.8
352.15533	0.3
353.08743	0.9
353.12595	1.0
368.11237	100.0
383.99438	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	368.1128
Annotation	Capnoidine
Peak:m/z	Relative Intensity
65.34383	0.4
69.03420	0.7
69.07085	0.6
69.61610	0.4
85.02890	0.9
97.02913	0.8
105.01868	0.6
127.03954	1.0
143.20692	0.4
145.05003	0.7
147.56133	0.5
153.12784	0.8
154.10033	0.5
171.13756	2.1
231.05034	0.5
252.84294	0.5
269.84796	0.5
277.07260	3.3
278.08060	5.3
289.07288	4.6
292.06128	5.3
294.07709	0.8
295.08307	1.0
306.07620	30.2
306.11249	1.0
307.08374	11.8
307.11676	0.9
310.10797	4.7
320.05713	0.7
321.09958	26.2
322.07327	3.0
322.10718	55.2
324.08600	3.5
324.12408	2.1
334.06964	2.3
335.07843	3.2
336.08691	0.8
336.12317	0.8
337.09247	1.1
338.06580	0.8
338.10217	2.2
350.10324	6.0
352.08350	3.8
352.11789	3.9
353.08856	7.9
353.12744	2.7
367.71777	0.8
368.11237	100.0
368.14960	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	368.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
61.71974	0.2
67.65334	0.2
72.71337	0.2
77.51496	0.2
124.49539	0.2
166.04893	0.3
190.04977	0.8
280.09439	0.4
294.07605	1.5
308.09164	12.3
310.10730	0.9
317.14401	0.2
324.12402	0.3
332.52713	0.3
336.08688	0.9
338.10352	0.5
340.11829	0.4
350.06580	0.5
352.11777	0.4
353.08893	1.2
353.12698	0.4
368.11285	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59170	0.6
56.05044	0.6
61.04053	1.6
63.16944	0.6
70.06582	3.3
70.35943	0.6
72.04509	3.9
72.08131	0.8
78.51500	0.6
81.32613	0.6
83.08609	0.9
84.08136	3.3
84.45517	0.6
86.09699	2.8
97.44161	0.6
101.66789	0.7
106.16554	0.6
110.07173	1.5
114.06657	9.8
117.06635	1.1
120.08103	1.3
129.10222	0.9
136.07640	0.8
160.07164	100.0
167.07019	34.4
189.03506	0.7
209.08127	7.8
248.30664	0.6
255.09508	0.8
346.10352	0.7
368.13947	2.5
368.17947	5.6
368.22501	1.3
377.74207	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	0.5
56.59116	0.2
61.04049	2.0
70.06582	0.2
72.04519	3.6
81.10503	0.2
89.03521	0.6
89.07148	0.4
92.21016	0.3
102.05554	0.4
112.16946	0.2
114.06652	12.4
115.05031	0.2
117.06578	2.4
118.06518	0.5
127.04887	0.2
129.16113	0.2
132.08102	0.3
143.04510	0.6
152.04697	0.2
159.09163	0.9
160.07172	100.0
167.07031	34.4
167.08502	0.5
206.08235	1.0
209.08093	6.5
325.09430	0.4
351.13528	0.4
368.11069	1.3
368.15079	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	368.149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88649	0.2
57.07100	2.1
57.07315	0.2
86.36928	0.3
96.08140	0.3
101.02389	0.7
112.37144	0.3
114.09138	3.9
119.03383	2.5
127.03949	0.4
134.73341	0.4
135.11728	0.4
215.80055	0.3
279.09064	0.3
296.46924	0.3
307.12015	1.7
308.09100	0.4
309.10098	0.5
310.10739	3.3
320.09186	0.6
322.10822	3.0
323.11432	0.6
324.12274	26.6
325.13083	0.7
334.10577	0.6
335.11655	2.0
336.08438	0.5
336.12177	7.7
337.13138	1.1
338.10211	16.3
339.10928	0.3
350.23978	0.5
352.11789	34.0
353.12558	26.7
355.85867	0.4
368.11340	5.2
368.14944	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04715	0.3
69.21784	0.3
84.08133	0.6
239.86366	0.4
248.70001	0.4
307.12082	2.3
308.09137	0.5
309.15433	0.6
310.10825	2.5
320.08981	0.4
324.12286	26.7
336.08633	0.8
336.12292	6.4
338.10205	13.9
339.11215	0.8
350.13907	1.7
352.11780	44.9
353.12567	29.8
366.54239	0.4
368.14920	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	368.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87438	0.5
54.41003	0.4
79.59114	0.4
86.73667	0.4
88.06454	0.4
199.67860	0.4
224.63469	0.4
229.23363	0.4
234.41090	0.5
283.15665	0.4
292.09744	0.6
307.12024	11.4
308.09192	0.7
309.09894	0.9
310.10898	1.9
323.11603	0.9
324.12299	22.8
334.10721	0.9
335.11536	8.1
336.08887	1.0
336.12344	5.0
337.09390	2.3
337.13147	0.6
338.10242	17.4
338.14114	0.8
339.11108	0.5
352.07379	0.8
352.11780	44.2
353.12567	34.6
368.14920	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	368.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18085	0.4
58.63627	0.5
60.23097	0.5
62.63538	0.4
69.03423	2.0
70.78052	0.5
75.26047	0.5
81.03411	2.1
83.31068	0.5
85.02906	6.8
87.00828	2.8
90.81088	0.6
92.21117	2.1
97.02885	3.3
99.04447	1.2
105.01860	5.2
109.02881	2.7
127.03928	5.3
141.14992	0.6
145.04967	2.3
159.02893	1.1
185.39476	0.7
206.00386	0.5
231.04938	1.1
249.06020	1.0
307.11935	0.8
308.08975	0.8
310.10715	2.3
323.11429	1.2
324.08322	1.0
324.12274	32.3
336.12268	7.4
337.09277	0.7
338.10184	17.1
339.10980	0.9
340.52203	0.5
352.11783	48.9
353.12564	35.5
368.14920	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	368.149
Annotation	Corynoline
Peak:m/z	Relative Intensity
55.05517	2.3
57.03442	1.2
59.05010	7.1
67.05498	4.1
69.03429	0.6
69.07076	1.3
79.05502	2.1
81.07059	3.0
82.07410	0.6
83.04974	1.0
83.08627	1.0
85.06577	0.5
87.04478	6.7
91.05482	0.9
91.54732	0.5
93.07036	2.6
95.08612	2.2
96.08135	0.9
96.08939	0.5
97.10179	2.6
105.07072	0.9
107.08624	0.6
108.08932	0.7
109.10154	4.4
114.09174	10.4
119.08566	2.0
121.10135	0.6
125.09627	1.2
133.10141	1.1
138.05504	0.5
145.10104	0.8
152.11543	0.6
173.11761	1.1
177.12573	0.6
181.16063	0.7
192.59520	0.5
214.86246	0.6
228.16150	0.7
229.14378	4.7
250.15659	0.9
257.13788	0.6
276.20490	2.4
307.08698	0.6
307.12036	2.9
308.09427	0.8
309.09909	0.7
310.10645	3.4
320.09338	0.7
322.10803	3.7
323.11526	2.1
324.08990	0.8
324.12286	23.6
325.13037	0.7
334.10452	0.8
335.11469	2.9
336.08682	1.3
336.12265	9.6
337.13092	1.2
338.10211	20.1
339.11029	0.9
350.24075	4.7
352.11798	32.5
353.09003	1.0
353.12570	27.8
368.11386	4.8
368.14957	100.0
368.24915	15.7
368.30167	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	368.1489
Annotation	Corynoline
Peak:m/z	Relative Intensity
53.45181	0.3
74.45656	0.3
76.90068	0.3
81.07058	0.7
101.02365	0.4
109.10152	0.4
119.03452	0.4
128.57022	0.3
157.15414	0.4
170.52757	0.4
172.30708	0.4
294.97894	0.4
308.09055	0.8
309.10046	0.6
310.10568	2.5
322.10583	0.5
323.11536	1.7
324.12302	25.2
336.08664	0.9
336.12222	12.0
337.09485	0.6
338.10211	59.3
352.07352	0.6
352.11789	32.0
353.12552	44.0
368.14917	100.0
368.24423	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	368.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53734	0.6
51.18325	0.7
70.06583	4.1
72.08157	1.4
75.80097	0.7
76.43130	0.7
84.08136	1.2
86.09715	3.2
107.04979	1.6
110.07166	2.0
110.20206	0.9
118.06478	1.5
120.08093	2.0
123.04365	1.0
129.10249	1.1
130.06531	27.1
132.08092	31.5
136.07570	11.6
142.06531	3.1
144.08093	35.1
154.47115	0.8
159.09174	100.0
160.07306	6.9
162.05504	16.3
167.06972	0.9
168.65149	0.8
170.05992	20.5
181.55690	0.9
194.27444	0.9
208.06084	1.0
215.10860	0.8
216.49406	0.9
271.84470	0.8
310.31973	1.0
325.71997	0.9
342.48615	0.8
351.13373	50.3
368.16016	12.6
368.21573	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	368.1603
Annotation	Tyr Trp
Peak:m/z	Relative Intensity
50.68061	0.3
70.06575	0.4
83.81681	0.4
84.08157	0.5
85.02859	0.3
85.04021	1.9
85.06519	0.5
90.27565	0.3
91.05479	7.8
107.04980	0.7
110.07194	0.4
113.70502	0.4
118.06544	1.6
119.04941	10.2
120.08128	0.6
127.03888	0.6
130.06583	2.8
132.08095	0.7
135.51848	0.4
136.07579	100.0
144.08099	2.5
146.06007	9.6
147.04436	0.6
159.09201	5.0
170.06058	0.5
188.07057	46.7
191.08168	2.2
195.04915	0.4
196.05371	0.5
205.09709	15.5
205.11475	0.7
214.06308	1.7
219.30011	0.4
232.07399	0.8
253.19971	0.5
260.10696	3.8
287.05618	0.5
308.09177	0.6
308.27850	0.4
322.15668	0.6
322.21188	0.5
323.13873	2.7
336.08670	0.7
337.09589	0.5
351.13470	0.9
368.12009	2.9
368.16095	34.8
376.18030	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	368.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68061	0.3
70.06575	0.4
83.81681	0.4
84.08157	0.5
85.02859	0.3
85.04021	1.9
85.06519	0.5
90.27565	0.3
91.05479	7.8
107.04980	0.7
110.07194	0.4
113.70502	0.4
118.06544	1.6
119.04941	10.2
120.08128	0.6
127.03888	0.6
130.06583	2.8
132.08095	0.7
135.51848	0.4
136.07579	100.0
144.08099	2.5
146.06007	9.6
147.04436	0.6
159.09201	5.0
170.06058	0.5
188.07057	46.7
191.08168	2.2
195.04915	0.4
196.05371	0.5
205.09709	15.5
205.11475	0.7
214.06308	1.7
219.30011	0.4
232.07399	0.8
253.19971	0.5
260.10696	3.8
287.05618	0.5
308.09177	0.6
308.27850	0.4
322.15668	0.6
322.21188	0.5
323.13873	2.7
336.08670	0.7
337.09589	0.5
351.13470	0.9
368.12009	2.9
368.16095	34.8
376.18030	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	368.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.3
55.01878	4.7
57.03164	1.2
57.03426	4.0
61.02934	4.9
69.03442	32.5
69.07052	1.7
71.05003	5.4
73.02937	4.5
81.03439	15.5
81.07062	1.9
85.02911	100.0
85.10188	7.3
87.00835	42.3
87.01366	1.7
87.04455	1.5
92.21340	1.3
97.02898	29.8
97.06493	1.1
99.04455	13.3
105.01877	90.2
108.04553	1.5
109.02879	33.1
127.03922	73.3
129.01845	2.7
135.11737	4.3
145.04973	30.0
147.02911	1.9
153.12784	11.3
159.02855	10.2
168.34631	1.3
171.13809	11.7
186.11217	1.1
189.14861	1.1
213.03903	2.2
231.05006	32.4
249.06039	38.4
293.26709	1.3
306.07584	2.6
307.08414	1.4
321.09824	1.8
322.10800	8.0
336.12463	4.8
340.11813	1.4
368.11279	15.1
368.15860	8.8
368.19229	5.1
368.24191	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	368.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.7
55.01875	5.0
57.03442	2.6
60.22989	0.8
61.02922	4.4
69.03436	31.4
71.04989	2.8
73.02911	6.5
80.88238	1.1
81.03424	16.3
85.02910	100.0
87.00834	34.7
88.49914	1.0
97.02895	33.7
99.04451	13.5
103.87451	1.1
105.01873	75.3
109.02884	30.3
121.79068	1.1
123.55817	1.2
127.03915	73.8
129.01872	4.2
133.02936	1.1
135.11732	1.3
145.04964	23.7
146.98920	1.1
159.02873	12.6
171.13797	2.1
189.03960	1.6
201.12657	1.2
213.03923	2.7
225.14349	1.1
231.05006	24.4
247.13274	4.4
249.06017	13.6
324.12238	6.5
333.15607	1.6
352.11920	11.0
353.12485	5.9
368.14984	28.2
368.19165	2.4
368.24237	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	368.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55720	0.8
55.01885	2.4
55.66396	1.0
56.99458	1.0
57.03433	2.1
59.48857	0.8
61.02925	5.1
65.11368	1.2
68.25159	1.2
69.03433	28.3
71.04994	1.8
73.02912	5.8
81.03415	16.7
85.02913	100.0
86.70579	1.2
87.00835	44.0
97.02332	1.8
97.02898	31.1
99.04460	16.9
103.03947	1.5
105.01875	82.8
108.04469	1.6
109.02888	27.9
121.52487	1.1
126.05492	1.5
127.03920	71.5
129.01823	2.1
129.58875	1.3
145.04984	27.1
149.24712	1.3
153.12749	2.0
159.02893	13.2
189.03865	1.4
213.03960	2.4
231.05009	22.3
249.06108	20.6
281.38904	1.6
368.19095	1.7
368.24094	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	368.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74755	0.4
55.53983	0.3
56.05039	0.6
57.37804	0.3
60.04524	0.4
70.06602	0.8
72.08157	6.7
72.46847	0.3
77.35934	0.3
79.40326	0.3
81.04514	0.5
83.06108	2.9
84.04530	0.5
84.08167	0.5
86.09695	2.1
93.04528	1.4
95.06077	1.4
110.07169	100.0
115.05068	0.5
120.08121	1.7
121.03977	0.4
127.03899	0.4
136.07513	1.3
138.06641	6.5
156.07642	0.6
157.06018	0.4
160.07173	1.7
162.00806	0.4
162.97238	0.4
164.06990	0.4
164.11827	22.9
166.06140	2.0
167.07008	0.6
171.10112	0.6
178.13420	0.7
192.11349	2.5
206.04530	1.4
209.13974	29.3
220.10712	0.4
224.00070	0.7
231.17119	0.8
234.12396	0.6
234.99022	0.4
237.13460	20.3
251.15045	2.2
255.14479	1.4
332.21014	0.6
350.00858	0.4
368.04565	2.4
368.22925	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	368.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86598	1.3
54.40911	1.2
55.01881	3.6
55.05510	6.2
56.05856	1.6
57.03440	10.0
67.05507	19.6
67.47815	1.4
68.05839	6.5
69.07078	16.8
70.07413	2.6
76.05122	2.3
79.05482	14.3
80.05843	3.1
81.07063	43.0
82.07400	14.7
83.05031	2.3
83.08627	7.0
85.06529	1.9
91.05479	12.1
92.05799	6.7
93.07040	16.0
94.07393	8.4
95.05006	1.9
95.08614	18.3
96.08945	7.7
97.06556	2.4
100.16049	1.7
105.07008	12.8
106.07381	9.2
107.04955	3.7
107.08587	13.5
108.08928	9.5
109.06478	2.5
109.10169	9.0
117.07014	2.3
119.08579	14.7
120.08940	7.8
121.10168	7.9
122.10500	6.8
123.08067	1.8
123.11646	2.0
124.12014	2.2
131.08575	6.6
132.08920	3.3
133.10133	9.4
134.10490	9.5
135.08064	2.4
135.11662	3.7
145.10141	6.7
146.10487	3.8
147.11717	8.7
148.12039	8.5
149.09639	3.6
150.13583	2.1
159.11720	3.4
160.12064	3.0
162.13660	2.0
163.11215	2.3
164.11548	2.8
184.11923	2.0
247.62303	1.9
257.06827	2.0
258.19370	5.1
270.17899	2.0
275.20151	3.6
276.20425	26.4
294.21515	3.7
307.11966	3.4
324.12372	9.1
324.54626	2.2
335.11490	3.8
336.12445	2.0
338.10367	2.2
350.05905	2.3
350.23950	24.9
352.11755	8.1
353.08890	1.9
353.12653	10.8
368.07059	3.4
368.11133	12.6
368.14996	29.7
368.21207	14.5
368.25116	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86598	1.3
54.40911	1.2
55.01881	3.6
55.05510	6.2
56.05856	1.6
57.03440	10.0
67.05507	19.6
67.47815	1.4
68.05839	6.5
69.07078	16.8
70.07413	2.6
76.05122	2.3
79.05482	14.3
80.05843	3.1
81.07063	43.0
82.07400	14.7
83.05031	2.3
83.08627	7.0
85.06529	1.9
91.05479	12.1
92.05799	6.7
93.07040	16.0
94.07393	8.4
95.05006	1.9
95.08614	18.3
96.08945	7.7
97.06556	2.4
100.16049	1.7
105.07008	12.8
106.07381	9.2
107.04955	3.7
107.08587	13.5
108.08928	9.5
109.06478	2.5
109.10169	9.0
117.07014	2.3
119.08579	14.7
120.08940	7.8
121.10168	7.9
122.10500	6.8
123.08067	1.8
123.11646	2.0
124.12014	2.2
131.08575	6.6
132.08920	3.3
133.10133	9.4
134.10490	9.5
135.08064	2.4
135.11662	3.7
145.10141	6.7
146.10487	3.8
147.11717	8.7
148.12039	8.5
149.09639	3.6
150.13583	2.1
159.11720	3.4
160.12064	3.0
162.13660	2.0
163.11215	2.3
164.11548	2.8
184.11923	2.0
247.62303	1.9
257.06827	2.0
258.19370	5.1
270.17899	2.0
275.20151	3.6
276.20425	26.4
294.21515	3.7
307.11966	3.4
324.12372	9.1
324.54626	2.2
335.11490	3.8
336.12445	2.0
338.10367	2.2
350.05905	2.3
350.23950	24.9
352.11755	8.1
353.08890	1.9
353.12653	10.8
368.07059	3.4
368.11133	12.6
368.14996	29.7
368.21207	14.5
368.25116	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.118
Annotation	5-O-Feruloylquinic acid
Peak:m/z	Relative Intensity
51.92857	0.3
56.01232	0.3
59.42149	0.3
62.44632	0.3
65.74847	0.3
69.03434	0.4
70.06577	0.6
72.08140	0.5
72.67175	0.3
76.41673	0.3
81.03406	2.2
83.05003	0.5
84.08161	0.4
85.02901	1.7
86.09707	0.7
89.03924	0.8
91.05483	0.8
95.04990	0.3
97.16879	0.4
101.32585	0.3
107.07049	0.3
109.02902	0.6
113.92944	0.3
117.03381	5.2
119.04919	2.0
120.08044	0.4
132.08052	0.5
134.15073	0.3
135.04427	0.5
144.08110	0.6
145.02850	49.0
145.08432	0.5
147.04388	3.5
149.06013	3.1
159.09181	0.8
160.09497	0.5
175.03888	8.1
177.05464	100.0
187.70468	0.4
187.84392	0.4
192.04097	0.4
207.06535	10.8
295.07199	0.9
351.10773	3.5
352.13672	2.1
369.11661	2.9
369.15588	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	369.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
60.80949	0.3
60.99926	0.2
66.63482	0.3
70.06579	0.5
82.06580	1.4
85.02905	0.6
85.39429	0.3
110.06050	7.9
110.77408	0.3
126.05531	4.2
128.07103	0.5
130.08624	0.5
136.07574	13.0
141.10251	0.3
152.07100	0.6
164.07059	100.0
182.08127	58.1
189.12773	0.4
196.09712	0.7
198.09192	0.5
207.13718	0.4
212.10294	0.5
259.10635	0.8
295.14532	0.4
301.11844	0.6
321.44565	0.3
333.14368	1.9
337.13919	2.1
351.11880	0.5
351.15536	4.3
369.16617	2.5
369.20697	0.4
386.29831	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	369.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66231	0.2
56.54695	0.3
70.06587	1.5
71.47119	0.3
72.08153	0.4
79.44956	0.3
82.06604	2.6
91.05512	0.4
109.57141	0.4
110.06042	8.0
116.07119	0.5
120.08147	0.4
126.05514	4.0
128.07095	0.7
129.10277	0.4
135.55145	0.4
136.07585	13.7
136.36905	0.3
137.72353	0.3
140.07112	0.6
147.04463	2.5
152.07124	0.4
157.10774	0.3
164.07062	100.0
177.05482	0.6
182.08128	60.5
227.51086	0.3
255.11371	0.4
259.10626	0.5
273.11398	0.5
337.13855	2.4
369.16556	2.2
373.23419	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	369.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60939	0.3
52.45398	0.3
53.76344	0.3
55.05506	0.5
65.34488	0.3
66.20622	0.3
67.05499	2.0
69.03427	4.2
69.07072	0.7
70.28191	0.3
70.56171	0.3
71.08627	1.4
75.06978	0.3
79.05486	2.5
81.03441	0.5
81.07062	0.6
83.04990	1.5
91.05490	0.5
91.94060	0.3
93.07024	2.4
93.64114	0.4
95.04978	1.8
95.08626	0.6
95.34645	0.4
99.08115	0.4
103.05483	0.5
105.07037	100.0
107.08579	0.6
109.10155	0.8
119.04950	3.1
119.08582	1.3
121.06512	2.6
121.10111	0.5
129.05435	0.4
133.10114	0.5
135.08072	0.4
135.27177	0.4
137.05887	0.3
137.09637	0.5
142.07762	0.6
145.10094	0.3
149.07430	0.3
151.11168	0.6
154.12277	0.8
157.10133	0.6
163.61615	0.3
171.14972	0.6
182.15367	0.4
185.09612	1.3
193.94318	0.4
196.17050	0.5
207.01141	0.4
233.11646	0.5
249.11227	0.5
277.21597	1.8
351.25467	3.1
369.16934	8.4
369.27341	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	369.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12307	1.4
56.62686	1.5
57.03447	19.1
58.60934	1.3
59.05004	3.0
61.02928	3.7
66.81348	1.5
69.03436	74.9
73.02931	2.2
79.93043	1.8
81.03424	6.7
85.02912	100.0
87.03942	3.1
87.04472	65.5
91.03944	2.0
97.02901	73.1
99.04460	7.1
109.02884	7.1
110.07183	3.5
115.03938	83.1
127.03945	20.2
129.43700	1.7
133.04967	74.0
145.02849	8.2
145.04959	32.6
163.06035	11.5
164.07037	12.5
169.07201	1.7
177.05501	17.6
182.08145	7.4
237.13316	2.4
277.09247	2.7
295.10303	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	369.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46687	3.1
55.05515	3.3
57.03451	6.7
59.08715	2.8
61.02927	3.6
65.47736	3.5
67.05550	3.3
69.03433	96.0
69.07067	6.9
71.05006	6.9
79.05502	4.4
81.03434	13.6
81.07059	18.8
85.02905	47.8
91.05476	17.7
93.07043	29.5
95.04971	29.8
95.08600	26.9
97.02895	29.2
97.06538	14.7
99.04471	5.5
105.07059	29.6
107.07922	6.0
107.08601	83.1
109.02867	6.6
109.06521	21.9
109.10182	26.1
111.08073	4.2
119.08580	41.8
121.06504	7.8
121.10145	67.1
123.08082	30.7
125.09648	15.1
127.03925	23.0
131.08554	62.1
133.06514	4.2
133.10153	28.3
135.08009	6.3
135.11714	23.2
137.06010	8.8
137.09613	28.7
139.11183	3.6
145.02875	19.0
145.04942	4.3
145.10133	4.8
147.08058	8.2
147.11684	38.7
149.09563	26.7
151.07553	31.0
151.11165	8.5
160.07260	5.3
161.07484	4.5
161.09729	3.9
161.13242	44.5
162.05394	5.2
163.11218	46.4
165.09099	100.0
165.12749	8.1
171.11641	5.2
173.13316	6.8
174.10364	6.7
177.05449	30.8
177.09102	5.8
179.14372	8.6
180.06567	3.9
189.12752	59.3
191.14395	5.6
197.04744	15.8
207.07867	28.0
207.13818	88.3
208.06058	31.0
209.15384	5.0
215.06081	37.1
225.14728	12.1
233.05861	26.6
249.14755	6.0
303.15915	18.7
307.11304	16.9
325.12436	5.9
327.14398	18.6
333.08795	4.9
333.17114	13.4
351.10281	26.3
351.17993	24.1
369.11270	58.7
369.15158	16.6
369.19019	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	369.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	3.4
56.34135	1.7
57.03443	2.9
58.29278	2.0
62.74273	2.2
64.43314	1.8
69.03432	45.2
69.07088	4.0
70.06575	3.6
70.65829	2.0
71.05001	4.4
81.03434	10.9
81.07072	2.6
84.08139	2.4
85.02899	29.4
86.09701	4.1
86.79779	1.9
90.05598	2.1
91.05502	3.2
93.07039	3.6
95.04974	2.2
95.08608	14.8
97.02892	9.0
97.06523	9.1
99.04479	9.9
102.88033	2.2
105.07042	11.4
107.05052	2.1
107.08587	7.9
109.02888	3.3
109.06536	3.0
109.10141	3.1
119.04906	7.7
119.08563	21.1
119.88980	2.3
120.08141	3.3
120.54853	2.0
121.06508	4.1
121.10178	5.1
123.08090	12.4
127.03889	14.8
133.06488	3.8
133.10147	13.8
135.07980	2.5
135.11693	28.0
136.07619	4.1
137.05997	10.7
137.09625	8.0
137.13258	3.1
145.02843	10.6
145.04955	2.1
147.04437	12.6
147.08052	9.2
147.11687	24.4
149.09639	15.9
151.07524	38.8
156.09340	2.1
159.11662	2.2
160.07249	2.2
161.09634	4.7
161.13219	48.0
163.11171	3.1
164.07059	14.4
165.09081	11.0
165.12756	3.6
166.08623	3.5
171.11678	4.9
174.09044	2.3
174.10399	13.8
175.03958	14.0
177.05391	16.5
179.14389	4.2
181.05016	3.5
181.31656	2.0
182.08180	7.9
189.12747	65.8
192.10048	2.6
193.10605	2.2
195.31822	2.0
198.07779	2.0
207.06314	14.6
207.13795	100.0
221.05659	4.8
225.15013	2.2
235.07236	3.2
339.27551	4.7
351.10837	3.5
351.18039	2.9
369.14468	15.4
369.19183	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	369.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46687	3.1
55.05515	3.3
57.03451	6.7
59.08715	2.8
61.02927	3.6
65.47736	3.5
67.05550	3.3
69.03433	96.0
69.07067	6.9
71.05006	6.9
79.05502	4.4
81.03434	13.6
81.07059	18.8
85.02905	47.8
91.05476	17.7
93.07043	29.5
95.04971	29.8
95.08600	26.9
97.02895	29.2
97.06538	14.7
99.04471	5.5
105.07059	29.6
107.07922	6.0
107.08601	83.1
109.02867	6.6
109.06521	21.9
109.10182	26.1
111.08073	4.2
119.08580	41.8
121.06504	7.8
121.10145	67.1
123.08082	30.7
125.09648	15.1
127.03925	23.0
131.08554	62.1
133.06514	4.2
133.10153	28.3
135.08009	6.3
135.11714	23.2
137.06010	8.8
137.09613	28.7
139.11183	3.6
145.02875	19.0
145.04942	4.3
145.10133	4.8
147.08058	8.2
147.11684	38.7
149.09563	26.7
151.07553	31.0
151.11165	8.5
160.07260	5.3
161.07484	4.5
161.09729	3.9
161.13242	44.5
162.05394	5.2
163.11218	46.4
165.09099	100.0
165.12749	8.1
171.11641	5.2
173.13316	6.8
174.10364	6.7
177.05449	30.8
177.09102	5.8
179.14372	8.6
180.06567	3.9
189.12752	59.3
191.14395	5.6
197.04744	15.8
207.07867	28.0
207.13818	88.3
208.06058	31.0
209.15384	5.0
215.06081	37.1
225.14728	12.1
233.05861	26.6
249.14755	6.0
303.15915	18.7
307.11304	16.9
325.12436	5.9
327.14398	18.6
333.08795	4.9
333.17114	13.4
351.10281	26.3
351.17993	24.1
369.11270	58.7
369.15158	16.6
369.19019	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	369.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80214	0.6
55.05529	0.9
55.62550	0.8
57.05799	0.7
57.26557	0.8
63.49830	0.8
67.05511	1.9
69.03436	8.9
69.56769	0.7
70.06603	1.0
79.05518	7.7
81.07071	1.5
85.02911	4.8
86.09678	1.2
88.45818	0.9
90.87312	0.7
91.05473	10.4
93.07042	22.9
95.04958	1.1
95.08624	8.9
96.57686	0.8
97.06532	6.8
105.07032	11.5
107.08599	100.0
109.06508	2.9
111.08093	1.6
119.08588	8.5
121.06480	4.0
121.10139	19.9
123.08087	1.3
127.07579	1.2
128.88799	0.8
131.08569	85.6
133.10124	1.6
134.49026	0.7
135.08075	0.9
137.09631	3.4
139.06619	0.9
143.08586	1.2
145.02824	6.8
145.10139	3.2
147.11682	27.9
149.09622	18.2
151.07570	1.4
156.09317	0.9
159.11691	1.5
161.13257	5.1
171.11694	4.4
175.03891	1.0
177.05467	6.9
189.12743	45.9
207.06496	3.0
207.13786	15.9
222.68237	0.9
246.94296	0.9
369.10989	5.3
369.15170	5.2
369.19159	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	369.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44341	0.8
53.23093	0.8
53.90868	0.8
55.05499	1.3
67.05495	1.1
69.07043	1.4
71.08597	1.1
72.04512	2.5
79.05453	1.6
80.05017	12.3
81.03364	1.0
81.07033	4.3
81.78074	1.0
83.08598	1.4
84.62669	1.1
85.91070	1.0
91.59003	0.9
93.07005	1.6
94.06539	0.9
95.08543	1.9
97.10186	1.4
106.06558	12.7
107.08564	1.6
115.73018	1.0
118.04997	1.6
118.06477	4.9
119.08567	1.6
120.08113	10.3
121.10120	1.7
122.05965	1.3
152.06964	1.4
158.12894	1.2
164.06982	6.2
168.13797	4.0
179.08043	1.6
182.15373	17.5
192.13824	16.5
199.17982	3.7
202.15858	1.7
210.14940	10.9
230.15411	29.1
234.14920	1.6
248.16438	100.0
252.15958	1.4
273.15771	1.0
277.21542	1.6
291.16721	1.7
292.15323	3.9
304.48892	1.1
309.17941	4.5
327.18643	1.2
351.26041	1.5
352.24713	1.4
369.20001	81.9
369.27066	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	369.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	6.4
57.03436	4.0
67.05508	16.9
69.05781	2.5
69.07076	9.5
71.04996	3.7
71.08619	17.1
76.77216	2.1
79.05507	13.2
81.07055	22.3
83.08631	4.4
91.05463	3.6
93.07044	13.1
95.04985	4.0
95.08632	21.2
97.06542	3.4
97.10215	2.3
99.08084	5.3
105.07023	10.2
107.08618	11.9
109.10183	11.1
111.08041	3.4
119.08553	4.6
121.10105	6.2
123.11678	3.4
133.10161	10.6
135.11702	10.1
147.11671	6.2
149.13165	2.5
151.11180	13.9
157.10049	3.1
161.13286	3.1
165.12779	4.9
194.23012	2.5
259.12158	5.6
259.20523	2.8
269.10501	19.1
277.21548	17.4
287.11649	3.5
333.17401	4.3
345.44348	3.0
351.18182	10.0
351.25317	34.9
369.22342	100.0
369.26642	19.4
387.20609	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	369.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69138	1.5
61.13544	1.8
81.07056	9.1
95.08611	4.2
97.98096	2.0
107.08577	2.9
109.39967	2.1
140.10695	8.6
157.13365	3.3
226.86220	2.6
259.12079	2.8
269.10583	5.3
287.11646	3.2
333.17609	2.9
351.18408	3.9
363.47537	2.7
369.20111	100.0
369.26825	3.6
387.20447	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	369.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65809	1.8
56.86384	1.9
58.04083	1.9
60.49454	1.8
68.05014	2.1
68.87521	1.6
72.04502	2.2
74.06087	18.5
80.05014	9.4
95.08622	2.6
96.04493	13.6
107.08627	2.3
108.08137	4.9
116.08213	69.8
118.05004	4.2
119.08595	1.9
121.71320	2.0
127.65796	1.8
160.07155	5.1
164.10686	2.7
167.11920	2.0
168.89421	2.3
192.13797	16.1
208.13216	3.7
210.14948	8.8
216.40779	2.4
220.13383	4.7
224.16464	3.6
232.16997	3.8
238.14351	5.0
248.16463	3.9
250.18007	7.4
266.17474	9.6
289.07144	2.3
292.15479	5.0
325.22333	20.9
369.11465	3.2
369.21289	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2271
Annotation	Prostaglandin G2
Peak:m/z	Relative Intensity
55.01872	1.1
55.05513	2.4
57.03434	2.8
67.05514	4.4
67.18983	0.5
68.28111	0.5
69.07074	3.9
79.05485	3.4
79.28388	0.5
81.07059	9.7
83.04984	2.6
83.08623	2.6
85.43221	0.5
88.09070	0.5
88.69057	0.6
91.05449	1.1
93.07029	4.0
95.08604	5.5
95.36678	0.5
97.06576	1.0
97.10145	0.6
98.97591	1.2
105.07056	0.9
107.08593	6.0
109.06521	4.1
109.10197	5.4
109.10790	0.6
111.04433	18.0
111.05196	0.6
111.08064	1.2
116.98650	0.6
119.08541	4.1
121.10160	4.9
123.08112	0.8
123.11710	2.2
125.05971	5.3
131.08565	2.7
133.10149	3.2
135.08064	2.1
135.11693	5.8
137.05977	100.0
137.13232	1.3
145.10118	1.4
147.08041	1.3
147.11690	6.3
149.09604	4.4
149.13232	0.9
151.07530	3.0
151.11166	1.0
154.12244	0.8
157.10107	2.3
158.99702	0.9
159.11644	0.7
161.09599	6.2
161.13266	2.8
163.11160	2.8
163.14792	0.7
165.09094	3.2
165.12769	0.8
167.10594	0.7
171.11588	0.9
175.11122	5.8
175.14815	2.2
177.12778	0.9
179.10677	0.9
187.11212	0.8
189.12683	1.1
193.12230	0.9
203.17973	7.1
213.16386	2.4
221.19064	0.9
223.14774	0.8
231.17412	5.9
241.15701	0.9
249.18474	5.1
277.17975	44.0
295.19028	10.3
309.22031	0.8
328.18076	0.8
351.21472	15.3
369.22726	25.4
369.27661	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	369.2269
Annotation	Prostaglandin G2
Peak:m/z	Relative Intensity
55.01886	1.1
55.05511	1.0
57.03434	2.3
57.07105	0.5
60.04716	0.5
67.05497	3.8
68.20578	0.6
69.07059	3.8
71.08645	0.8
75.76413	0.5
76.33384	0.6
79.05498	1.4
81.07053	9.1
81.34491	0.6
83.01227	0.5
83.04975	1.1
83.08628	1.1
85.06509	0.6
89.46304	0.5
91.05465	0.9
93.07041	3.7
95.08619	6.5
97.06506	0.7
101.53426	0.7
105.07016	2.6
107.08603	3.8
109.06523	4.1
109.10155	3.6
111.04439	16.2
111.08109	0.7
119.08572	2.6
121.10133	5.8
123.08056	1.1
123.11725	1.3
123.46472	0.6
125.06012	4.5
125.09661	0.8
131.08513	0.8
133.10165	4.3
135.08064	1.2
135.11671	5.2
137.05980	100.0
137.09549	1.3
137.13246	1.3
145.10127	1.5
147.11662	5.7
149.09622	5.0
149.13210	1.0
151.07550	3.0
151.11182	2.5
157.10133	1.2
158.31316	0.8
159.11652	0.8
161.09627	6.0
161.13229	2.9
163.11151	3.2
163.14815	0.6
165.09055	0.9
175.11200	6.4
177.12817	0.9
179.10608	1.0
189.12782	1.2
203.17979	6.2
213.16394	2.8
221.19109	1.1
223.14709	0.9
231.17435	4.1
249.18456	4.8
277.17984	42.5
277.21075	1.5
280.67007	0.6
295.19116	5.7
304.98132	0.8
312.88763	0.7
339.10648	0.9
351.21652	27.9
351.25269	1.3
363.02753	0.6
369.15421	1.1
369.22787	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	369.227
Annotation	Prostaglandin G2
Peak:m/z	Relative Intensity
55.01879	1.4
55.05513	2.1
57.03439	1.3
57.07077	0.6
67.05178	0.4
67.05511	5.9
67.86945	0.3
69.07065	3.5
71.08630	1.4
79.05487	2.6
81.06618	0.5
81.07066	10.7
83.04971	1.6
83.08606	2.8
85.06506	0.4
91.05486	0.7
93.07045	3.5
95.04954	0.4
95.08601	4.4
97.06546	0.4
105.07010	1.4
107.08601	3.8
109.06525	3.7
109.10159	4.3
111.03694	0.7
111.04436	14.0
111.05200	0.5
111.08056	0.5
117.06941	0.4
119.08561	2.7
121.10143	2.8
123.08049	1.7
123.11716	2.1
125.05994	3.4
131.08585	1.6
132.08023	0.4
132.86160	0.3
133.10115	4.1
135.08047	1.9
135.11656	3.3
137.05977	100.0
137.09549	1.2
137.13243	1.6
139.07472	0.5
139.11145	0.5
143.08604	0.7
145.10143	1.4
147.08055	0.8
147.11679	5.4
147.67715	0.3
149.09618	3.1
149.13254	1.6
151.07541	2.4
151.11226	1.4
157.10104	0.8
159.11665	1.4
161.09602	5.8
161.13251	2.1
163.11191	3.3
163.14798	0.6
165.09116	2.2
165.12727	0.6
166.06258	0.3
167.10703	0.5
171.11688	1.4
173.13240	0.5
175.11200	4.2
175.14822	0.6
177.09166	0.4
179.10643	1.5
181.12305	0.4
189.12755	0.9
193.12173	0.6
203.17958	5.0
213.16360	2.3
221.18971	0.8
223.14691	0.4
229.14365	1.4
231.17348	3.4
241.15971	0.5
249.18489	2.5
277.17990	37.4
277.21332	2.1
295.19110	5.6
337.29825	0.4
351.21588	31.6
351.25125	2.4
369.22177	2.7
369.26999	0.9
369.32233	1.4
382.65335	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	369.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.1
58.08324	0.9
60.05642	5.1
61.07920	0.8
67.05508	2.5
69.03429	1.9
69.07071	1.9
70.06584	4.4
72.04510	2.7
72.08154	6.0
76.05109	1.4
79.05486	2.5
81.03385	1.5
81.07060	4.3
83.08620	1.6
84.08160	1.8
85.02912	1.4
85.06546	54.3
87.55421	1.1
88.37820	1.0
91.05478	2.5
93.07042	25.1
95.08603	9.8
97.02879	2.0
98.06019	1.1
99.34296	1.3
105.07029	1.0
107.04964	0.9
107.08604	19.1
109.06523	1.2
113.10762	43.8
114.09167	90.5
114.10287	4.5
115.08676	16.5
116.08226	2.3
119.04915	2.2
131.11845	10.4
131.12685	1.4
135.11714	4.6
147.04370	4.5
156.11310	55.3
159.11760	1.9
160.09692	1.4
173.13963	51.5
175.03883	10.4
207.06554	10.1
219.13751	1.7
237.14836	5.3
266.14734	1.4
269.96112	1.2
307.25052	6.8
325.25961	100.0
353.09381	1.1
369.11560	7.2
369.15421	6.9
369.20837	12.8
369.25000	82.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.1
58.08324	0.9
60.05642	5.1
61.07920	0.8
67.05508	2.5
69.03429	1.9
69.07071	1.9
70.06584	4.4
72.04510	2.7
72.08154	6.0
76.05109	1.4
79.05486	2.5
81.03385	1.5
81.07060	4.3
83.08620	1.6
84.08160	1.8
85.02912	1.4
85.06546	54.3
87.55421	1.1
88.37820	1.0
91.05478	2.5
93.07042	25.1
95.08603	9.8
97.02879	2.0
98.06019	1.1
99.34296	1.3
105.07029	1.0
107.04964	0.9
107.08604	19.1
109.06523	1.2
113.10762	43.8
114.09167	90.5
114.10287	4.5
115.08676	16.5
116.08226	2.3
119.04915	2.2
131.11845	10.4
131.12685	1.4
135.11714	4.6
147.04370	4.5
156.11310	55.3
159.11760	1.9
160.09692	1.4
173.13963	51.5
175.03883	10.4
207.06554	10.1
219.13751	1.7
237.14836	5.3
266.14734	1.4
269.96112	1.2
307.25052	6.8
325.25961	100.0
353.09381	1.1
369.11560	7.2
369.15421	6.9
369.20837	12.8
369.25000	82.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2634
Annotation	Cortol
Peak:m/z	Relative Intensity
55.01883	3.5
55.05526	28.7
57.03424	10.9
57.07078	3.0
64.99517	1.6
67.05512	32.7
69.03445	3.2
69.07081	20.5
71.08642	26.6
79.05502	19.4
80.51910	1.9
81.03411	4.6
81.07061	48.7
83.04979	7.8
83.08622	34.3
85.02876	3.8
85.06525	2.0
91.05475	14.2
93.07039	27.8
95.04942	9.8
95.08610	31.0
97.06514	8.7
97.10143	8.5
99.08114	15.8
105.07039	23.6
107.08595	23.4
109.06529	4.0
109.10137	10.9
111.08050	9.6
119.08576	19.3
121.10144	15.2
123.08058	2.1
123.11686	11.9
125.09628	3.8
129.06999	2.3
131.08591	2.7
133.10127	12.6
135.11659	4.5
147.11691	19.0
149.09596	2.6
149.13214	4.8
151.04001	2.4
151.11151	10.4
153.12675	2.1
157.10098	3.2
159.11676	3.4
161.13231	3.7
163.11140	3.3
165.12714	11.0
171.11674	3.2
173.13260	2.4
193.12257	2.8
211.13272	3.9
259.20465	8.5
259.26511	2.3
277.21603	29.8
291.19525	2.5
295.22604	4.3
316.64157	2.1
351.25305	21.6
369.26279	100.0
382.74811	2.5
386.17932	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	369.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.6
55.05523	24.0
55.65100	1.2
57.03437	12.9
62.86291	1.4
67.05177	2.1
67.05508	34.5
69.03414	2.2
69.07074	22.5
71.08638	22.3
79.05526	15.8
81.03416	2.0
81.07067	36.7
83.04970	3.2
83.08631	27.0
85.06553	2.3
91.05492	16.0
92.39059	1.2
93.07050	23.2
95.04951	3.0
95.08604	18.6
97.06525	3.4
97.10168	7.3
99.08089	11.6
105.07040	15.9
107.08605	16.8
109.06517	3.1
109.10166	16.6
111.08078	3.4
113.09618	2.2
117.07047	1.8
119.08575	14.5
121.10157	11.4
123.11688	3.4
125.09649	3.1
129.07008	1.9
131.08545	2.5
133.10136	12.0
135.11691	6.1
137.09615	2.1
138.16135	1.3
139.11151	2.3
139.52354	1.4
145.10155	2.0
145.73604	1.3
147.11696	13.7
149.13264	6.4
151.11211	9.1
153.12679	1.4
157.10130	1.9
159.11713	2.1
161.13271	3.1
163.11182	2.7
165.12691	10.3
173.11723	2.6
175.14835	2.3
179.14311	2.3
189.11214	1.4
241.19440	1.8
259.20569	1.9
269.17468	2.5
277.21628	34.0
278.37250	1.6
295.22687	7.5
297.97525	1.6
351.25287	28.1
369.13666	1.7
369.26373	100.0
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	Cortol
Peak:m/z	Relative Intensity
55.05505	6.6
55.57626	3.1
55.95306	3.4
57.03438	23.1
57.17378	3.2
67.05511	28.5
69.07065	7.4
74.09703	3.7
79.05496	34.5
80.36446	3.7
81.07066	47.9
83.08630	5.6
91.05470	15.8
93.07055	50.6
95.08614	48.8
97.06526	4.5
105.07029	17.6
107.08604	32.2
109.10155	18.0
111.08074	5.8
117.07021	8.1
119.08575	24.1
121.10124	39.5
123.08093	7.4
123.11695	5.1
131.08563	21.6
133.10095	25.7
135.11723	25.6
139.03105	3.7
141.70796	4.4
145.10117	15.5
147.11682	19.2
149.13286	4.5
159.11685	16.0
161.13286	6.9
173.13246	4.4
175.14864	4.7
181.95528	3.9
185.13350	4.3
187.14774	18.7
198.62897	3.5
205.15855	8.7
222.83026	4.1
241.19508	13.9
251.63141	4.3
258.79459	4.1
259.20612	25.9
268.09201	4.2
277.21579	48.4
351.25284	100.0
369.26401	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	369.2634
Annotation	Cortol
Peak:m/z	Relative Intensity
50.88626	1.7
53.31750	1.7
55.05515	11.8
57.03441	3.8
57.07092	2.3
57.82744	1.8
58.47857	1.7
59.03473	1.8
59.74044	1.8
62.54552	1.9
67.05507	72.0
67.78666	1.8
69.07061	13.3
71.08630	12.1
74.09704	2.1
79.05506	28.0
81.06599	3.7
81.07061	44.1
83.04990	3.9
83.08621	11.8
83.13724	1.8
85.06536	4.5
91.05483	19.6
93.07050	44.8
95.04961	2.7
95.08611	35.6
97.06535	2.9
97.10170	25.2
98.55122	2.4
99.08098	5.1
105.07035	25.3
107.08588	51.3
109.10158	58.6
112.88035	2.2
117.07021	4.8
119.08535	17.2
121.10150	26.9
123.11671	4.2
125.09647	25.1
131.08583	8.7
133.10129	19.4
135.08057	2.6
135.11682	29.5
137.09528	2.5
143.08595	3.5
145.10164	10.9
147.11703	17.5
149.13239	15.9
151.11186	9.7
159.11661	10.0
161.13255	9.2
163.11096	3.4
165.12759	4.9
166.47899	2.5
171.11632	3.8
173.13176	3.0
175.14764	4.8
179.14299	21.4
181.44623	2.3
189.11195	10.2
193.15894	2.1
200.32520	1.9
227.12746	11.3
241.19586	3.3
245.13927	10.9
259.20502	18.5
277.21597	49.5
350.88577	2.3
351.25302	100.0
369.26495	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	369.2633
Annotation	Carboprost
Peak:m/z	Relative Intensity
53.03959	3.1
55.01880	2.1
55.05525	10.2
55.30112	1.1
56.03090	1.1
56.93154	1.2
57.03448	2.6
57.07082	1.5
57.42747	1.3
67.05182	2.1
67.05512	35.4
67.05848	2.5
69.03430	1.6
69.07074	28.5
71.04996	1.6
72.77220	1.5
74.09723	3.0
79.05508	22.8
81.03425	34.2
81.07065	39.9
83.04993	10.8
83.08615	5.8
85.10163	1.3
91.05489	14.4
93.07043	28.2
95.04958	32.2
95.08585	16.2
95.48560	1.3
97.10168	6.9
105.07048	15.0
107.04968	2.2
107.08594	23.8
109.06519	8.8
109.10152	19.4
111.08101	2.3
117.07024	1.5
119.08574	10.9
121.10141	9.5
123.11676	6.6
125.09629	10.8
131.08553	5.8
133.10110	17.9
135.08035	2.6
135.11717	5.7
147.08084	1.9
147.11731	13.0
149.09726	2.0
149.13249	2.0
151.11197	31.3
153.09143	1.6
161.09637	1.8
161.13254	7.8
165.12746	8.3
171.11748	1.7
175.11092	1.6
175.14838	2.5
179.14177	1.9
180.23421	1.5
231.21034	2.2
249.22133	2.4
259.20486	1.8
277.21622	77.1
303.22955	1.5
351.25320	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2634
Annotation	Cortol
Peak:m/z	Relative Intensity
55.01877	9.6
55.05515	7.1
57.03432	6.6
57.07066	1.6
63.95292	1.6
67.05518	18.3
69.07054	14.0
71.08634	34.7
71.72514	1.4
74.09717	7.7
79.05492	13.5
81.07065	27.0
83.04989	3.4
83.08640	13.3
85.06521	1.4
88.22124	1.7
91.05482	10.8
93.07050	26.2
95.04960	3.6
95.08614	19.0
97.06529	15.7
97.10195	2.3
99.08089	20.0
105.07027	16.9
107.04926	1.7
107.08585	16.9
109.06532	6.5
109.10157	9.6
117.07019	2.8
119.08591	13.1
121.10141	12.3
123.08001	2.4
129.06995	1.9
131.08562	3.1
133.10109	6.3
135.07983	2.0
135.11719	12.8
137.09555	5.5
145.10156	2.5
147.11687	11.7
149.09550	1.6
149.13255	5.8
151.11192	15.8
153.12709	1.8
154.12286	8.3
159.11772	2.6
161.13232	9.9
163.11165	7.4
165.12746	17.2
171.14946	3.0
173.11757	2.4
173.13220	1.9
177.12708	3.0
179.14342	8.6
181.15863	1.8
182.15451	6.9
196.16936	1.8
199.18103	2.1
221.15106	1.8
241.19659	3.0
259.20590	3.9
261.22125	5.4
277.21591	29.7
289.21600	9.7
295.22528	2.4
304.89813	1.6
307.22629	3.0
333.24203	6.9
351.25314	100.0
369.26654	22.6
384.48572	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	369.2633
Annotation	Cortol
Peak:m/z	Relative Intensity
50.33249	1.4
51.66314	1.6
55.01882	4.1
55.05515	32.2
57.03440	12.3
57.07079	8.1
57.50895	2.4
58.51976	1.9
67.05513	41.5
69.07076	27.0
71.08640	33.1
76.09485	1.7
79.05492	22.5
81.07056	44.5
81.30795	2.1
83.04975	5.2
83.08618	24.2
85.06550	3.9
85.10184	3.8
91.05481	18.5
92.21482	2.3
93.07055	22.3
95.04980	11.3
95.08590	28.2
97.06525	10.5
97.10178	11.3
99.08099	17.3
105.07005	16.0
107.04948	4.1
107.08597	18.7
109.06496	3.6
109.10148	18.5
110.12688	2.2
111.08072	10.2
113.09653	9.5
119.06739	2.3
119.08572	13.5
121.10145	15.8
123.08066	4.3
123.11703	8.2
125.09605	3.7
131.08525	2.9
133.10149	19.3
135.11705	9.5
137.09706	2.3
145.10107	4.9
147.08026	2.3
147.11690	16.4
149.09671	3.1
149.13239	9.9
151.11180	22.2
153.12828	2.6
161.13293	4.2
165.12704	16.9
171.11681	4.0
173.11687	3.5
175.14795	2.1
179.14267	5.0
224.58092	2.1
229.14368	2.1
259.20456	10.4
277.21576	58.0
295.22742	10.3
350.50568	2.3
351.25320	52.7
369.26340	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2634
Annotation	Cortol
Peak:m/z	Relative Intensity
55.00832	1.5
55.05508	10.6
55.74485	1.6
57.03445	37.3
57.07094	2.1
58.41635	1.5
59.95787	1.7
67.05509	45.3
68.73763	1.6
69.03432	2.6
69.07078	16.1
71.04990	7.8
71.08643	2.2
71.59076	1.6
71.76344	1.5
77.27887	1.6
79.05498	34.5
81.07059	60.8
83.04932	2.1
83.08617	14.0
85.06547	8.5
91.04988	2.1
91.05469	21.4
91.65034	1.8
93.07045	45.9
95.04963	7.2
95.08607	52.8
97.06536	8.7
97.10175	9.2
99.08077	8.8
105.07049	30.1
107.08593	50.9
109.06516	9.7
109.10170	29.5
111.08073	7.8
117.07021	7.9
119.08579	32.1
121.06480	1.9
121.10147	46.3
123.08064	7.8
123.11698	8.7
123.24654	1.7
125.09637	8.6
129.06996	3.3
131.07051	4.3
131.08583	19.4
133.10136	28.4
135.08080	2.6
135.11691	30.5
137.06026	2.9
137.09642	3.7
139.11172	4.1
143.08560	2.7
145.10124	29.2
147.11707	27.0
149.09628	4.0
149.13260	11.7
151.11154	3.5
157.10204	3.3
159.11664	12.2
161.13217	12.8
163.14897	2.1
165.12685	2.4
167.10686	2.5
171.11681	6.4
173.13234	8.4
175.14832	9.3
184.85719	1.8
185.13284	8.1
187.14839	18.9
189.12694	2.8
199.14751	2.1
201.16241	2.4
203.17952	2.8
205.15874	10.1
221.18951	3.6
229.43665	1.8
233.15338	3.3
241.19487	11.3
255.15999	2.6
259.20541	28.4
277.21640	56.2
351.20959	3.5
351.25302	100.0
369.26740	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	369.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	7.1
57.03446	2.0
57.07080	2.2
67.05514	19.6
69.07068	10.9
71.08642	3.2
79.05494	12.5
81.07062	23.4
83.08626	8.4
91.05502	16.2
93.07053	18.4
93.07539	2.0
95.04975	3.7
95.08614	24.7
97.06531	2.6
97.10172	3.7
99.08121	3.6
105.07017	14.5
107.08584	20.3
109.10152	15.2
111.08058	3.6
114.09169	2.1
117.07001	8.4
117.21640	1.8
117.51543	1.9
119.08589	16.9
121.10142	21.2
123.11703	4.0
125.09628	2.2
131.08580	14.7
133.10135	27.1
134.40453	1.8
135.08076	8.7
135.11679	13.8
137.09602	2.1
139.11197	2.6
145.10170	17.8
147.11687	25.7
149.09619	10.7
149.13190	5.4
151.11176	7.3
157.10110	7.5
158.16118	1.8
159.11678	15.1
161.13242	12.4
163.11220	16.4
165.12737	2.3
168.13898	2.9
171.11604	8.2
173.13255	16.3
175.11198	2.4
175.14767	3.5
177.12733	10.1
182.15379	2.7
185.13228	2.9
187.14864	8.3
189.12743	3.0
191.14191	2.4
243.17249	2.7
253.19478	8.9
261.22052	4.0
271.20569	18.1
277.21628	13.0
288.23215	16.3
289.21613	79.0
305.25818	3.1
306.24298	27.1
323.26917	100.0
323.30713	4.2
333.25296	8.1
334.23782	3.0
351.26401	81.2
352.24835	3.2
369.22345	16.6
369.26837	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	369.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	2.5
57.07084	1.5
59.12250	1.0
67.05503	14.0
69.07071	7.0
79.05491	8.0
81.07065	21.5
83.08619	8.7
91.05487	17.0
93.07055	14.1
95.08621	19.8
97.06548	5.1
97.10168	5.1
100.07623	1.4
105.07044	11.3
107.04977	7.6
107.08627	11.5
109.10185	9.9
111.08075	3.1
117.07007	7.2
119.08578	15.9
121.06522	2.7
121.10150	18.3
123.08076	2.3
123.11663	5.1
124.48304	1.4
125.09634	2.6
129.07030	1.4
131.08566	16.6
133.10121	25.0
135.08067	5.8
135.11696	13.6
137.09677	5.0
139.11208	2.3
145.10179	17.2
147.11697	21.7
149.09602	7.5
149.13271	6.7
151.11238	2.0
154.12286	2.0
157.10146	5.6
159.11737	17.0
160.82211	1.4
161.09575	2.3
161.13278	16.6
163.11230	12.4
163.14804	1.4
171.11734	11.7
172.51328	1.3
173.13272	19.0
175.11214	2.4
175.14757	2.7
177.12741	5.4
182.15453	1.7
183.11690	2.1
185.13313	6.6
187.14792	15.6
189.12695	1.6
191.14336	5.9
195.55914	1.4
196.16986	6.9
205.15987	1.9
209.88519	1.4
216.36449	1.4
225.16220	1.7
229.19331	1.4
244.27010	1.7
253.19530	12.8
261.22122	8.2
270.22205	2.3
271.20590	19.7
271.67816	1.3
288.23175	11.2
289.21606	80.0
305.25897	8.6
306.24274	25.3
316.22818	5.2
323.26932	100.0
324.25342	1.6
333.25427	19.3
334.23755	1.9
351.26425	75.1
352.24832	6.9
369.22678	7.7
369.27420	20.8
372.41040	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	369.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62531	0.6
55.05494	0.8
56.05045	6.3
67.05502	4.6
69.07066	4.5
69.71895	0.8
74.65820	0.9
83.08626	0.9
93.07046	1.6
95.08611	3.7
107.08614	1.3
109.10163	11.3
113.36407	0.8
119.08559	1.5
121.95115	0.8
135.11667	1.7
136.11249	1.3
137.09596	3.8
152.14362	1.8
153.12801	1.5
153.13921	4.9
154.12268	100.0
166.65518	0.8
171.14932	43.1
172.25203	1.0
196.16954	20.8
198.14842	1.5
213.19595	3.1
257.57974	1.0
333.25314	5.0
334.23688	3.3
351.26398	14.5
352.24615	2.0
369.27518	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	369.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.4
56.05038	3.0
57.03428	0.9
62.82765	0.6
67.05504	5.0
69.07062	1.8
70.06591	0.9
71.08618	1.6
71.57165	0.6
72.04511	3.1
75.66583	0.9
78.58356	0.7
79.05503	3.9
80.05031	7.2
81.07063	7.6
83.08614	3.7
84.08138	3.6
85.06554	0.9
87.52135	0.7
91.05476	3.0
93.07030	3.6
94.06566	1.1
95.08588	4.7
97.10168	5.2
105.07031	1.6
106.06548	6.0
107.08576	3.7
117.06989	0.7
118.05026	0.8
118.06513	4.0
119.08604	2.7
120.08094	5.8
121.10156	2.9
124.11243	3.2
125.09603	3.1
126.06568	0.7
129.06815	0.8
132.08110	1.2
133.10133	1.1
135.11708	1.4
147.11693	2.9
151.11162	1.4
157.10086	0.9
163.11122	1.3
164.07063	1.6
164.14346	1.3
168.13853	11.3
170.11758	2.9
174.12740	1.0
181.16951	4.0
182.15401	100.0
185.16516	2.9
192.13821	7.9
198.68964	0.9
199.18066	22.9
200.16496	1.3
201.14781	1.1
210.14958	7.0
230.15411	16.0
234.14931	1.6
236.16371	0.8
248.16441	53.2
252.15900	0.7
273.10989	0.8
277.21603	3.8
309.18076	1.4
326.77298	0.9
327.19067	0.8
333.25269	4.6
334.23895	0.9
351.26331	10.9
352.24567	5.5
369.15295	2.9
369.20218	37.9
369.27325	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	369.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83714	2.6
51.65716	2.6
56.74478	3.3
57.07088	27.0
67.05516	24.7
68.92564	3.6
69.07074	6.7
71.08629	3.9
77.12627	3.2
81.07068	45.8
83.08586	4.0
90.74641	3.4
93.07038	5.5
95.08602	30.8
109.10201	25.0
117.26569	3.2
119.08511	3.5
121.10136	8.5
123.11679	15.9
127.11191	7.8
138.12766	7.6
143.48643	3.6
147.11740	6.4
154.07629	4.2
154.12259	39.9
158.03857	3.3
171.14899	15.3
182.15462	5.3
184.13359	14.5
186.22188	14.5
273.54071	3.9
307.26315	35.6
324.29019	100.0
328.62177	3.6
348.31516	3.9
352.32175	5.6
369.27295	8.4
369.31564	18.7
369.34894	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	369.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56625	1.5
53.23962	1.6
57.07070	6.4
64.58355	1.3
67.05529	1.8
67.80400	1.5
69.07054	1.7
71.08639	2.4
79.05485	2.5
79.34750	1.5
81.07064	2.4
92.21262	1.8
93.07056	1.8
97.10184	3.6
107.08598	6.8
109.10129	3.0
125.09616	10.8
135.08057	2.3
135.14110	1.7
137.74968	1.8
148.77144	1.7
153.09055	2.1
156.88054	1.4
170.11786	3.0
182.15353	16.4
198.22142	2.4
200.21857	3.5
200.23727	100.0
218.95821	1.7
251.36304	1.6
316.82483	1.9
324.29065	4.2
324.32635	20.0
352.32162	20.4
369.27496	2.7
369.34756	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	370.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66787	0.3
64.24001	0.3
76.03955	0.3
86.09686	0.4
90.58954	0.4
94.45612	0.3
120.08121	9.3
166.08618	0.7
177.10223	0.5
205.09824	0.6
207.06329	0.4
282.07617	0.4
295.08453	2.1
296.09332	0.6
306.07678	0.5
310.10806	3.8
324.14169	0.4
326.10248	0.6
327.11020	3.4
352.08173	1.9
354.13358	0.5
355.10492	49.4
361.37808	0.4
370.12857	100.0
370.25555	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	370.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70391	0.3
55.19318	0.2
67.17047	0.3
78.79600	0.2
87.58237	0.3
92.21243	0.4
114.51904	0.3
119.04911	0.4
182.77367	0.3
220.09683	4.0
282.07721	0.6
295.08429	1.4
296.09064	0.5
310.10672	4.0
326.10278	1.4
327.10999	4.4
340.08044	0.3
352.11911	0.4
354.09790	1.1
355.10486	51.3
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	370.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05550	0.2
59.04446	0.2
72.57494	0.1
73.35741	0.2
78.31277	0.2
86.09754	0.3
107.65630	0.2
109.05160	0.3
120.08191	0.4
135.06699	1.2
152.09422	0.8
206.08240	0.8
251.63126	0.2
266.08167	0.7
269.17062	0.9
277.70233	0.2
282.07813	0.3
282.11301	0.7
294.07632	0.2
295.08380	2.0
296.09036	0.7
310.10699	4.5
322.10913	0.2
326.10345	0.9
327.10980	4.4
338.10223	0.3
340.08160	0.3
342.13257	0.2
352.11679	0.9
354.09473	0.7
354.13391	0.8
355.10474	49.3
370.12802	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55137	0.3
56.05032	0.4
58.96774	0.3
63.05626	0.3
63.65021	0.2
74.06670	0.3
77.58551	0.3
81.07065	0.5
86.09696	0.6
87.67339	0.3
90.76530	0.3
148.04712	0.3
175.03922	0.7
176.04266	1.7
182.75369	0.3
207.06534	0.5
208.06854	2.4
209.12743	0.4
239.09325	2.3
242.08147	0.5
252.10237	0.8
271.08447	2.2
282.07578	0.6
297.10095	0.5
310.10730	24.4
322.07043	0.4
325.07184	3.1
336.12241	0.8
337.13104	1.3
338.10275	1.5
349.09467	0.3
352.11417	1.4
370.12842	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	370.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27858	0.8
52.91531	0.9
56.92860	0.7
61.02935	1.6
64.56537	1.0
69.03443	7.3
70.06596	1.5
71.04971	1.7
71.53886	0.9
80.48352	0.8
81.03428	6.8
85.02910	62.1
85.48701	0.9
88.60256	0.9
94.86651	1.0
97.02894	17.3
99.04459	24.8
103.03946	100.0
104.79492	0.9
109.02865	9.1
127.03912	96.4
145.04956	40.1
151.20486	1.1
163.05998	33.7
187.06149	1.8
191.81102	1.0
208.09782	1.0
244.27025	1.3
271.08075	6.7
289.09198	8.3
307.10226	20.2
313.40845	1.1
335.13254	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	370.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24161	0.7
56.07947	0.7
57.03445	1.4
57.07084	100.0
57.22078	0.7
58.06601	3.5
62.00548	0.8
68.95046	0.8
69.94600	0.8
71.01316	0.9
77.37868	0.8
79.14082	1.0
85.02913	9.4
85.06540	6.5
95.01323	1.4
97.02880	2.2
98.30018	1.0
99.00853	1.1
103.03948	1.2
103.07576	3.3
110.06043	18.1
113.02351	4.8
131.03386	1.9
137.05994	1.4
138.05521	5.7
139.03891	5.0
141.01828	20.1
147.04402	1.4
152.07108	3.6
159.02968	1.2
159.10165	70.6
166.42754	1.0
167.03429	2.1
176.04141	1.0
177.11220	82.6
180.06532	1.0
199.05923	1.3
208.09706	1.2
265.69455	1.0
317.12317	1.9
320.11353	1.5
327.09821	1.4
335.13440	8.3
352.13821	2.1
370.16055	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	370.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
63.69973	0.7
81.07072	6.1
82.57869	0.7
85.02894	2.9
86.09690	0.9
93.07050	1.1
97.02930	1.0
109.06522	16.4
110.07178	1.4
111.04446	3.2
119.01797	0.7
120.08170	1.0
127.07578	8.7
137.05988	100.0
155.07040	32.0
166.05280	1.0
173.08099	53.1
180.02879	0.7
191.09148	42.8
247.35258	0.7
370.15677	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	370.201
Annotation	Corydaline
Peak:m/z	Relative Intensity
53.66641	0.3
63.73866	0.3
70.05941	0.3
76.25690	0.3
116.45727	0.3
165.09164	0.6
190.07024	0.4
190.08633	1.5
191.05756	0.3
191.09380	1.6
198.56013	0.3
204.10234	1.7
206.11757	100.0
290.96738	0.4
308.14294	0.4
332.63281	0.4
370.20099	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	370.2012
Annotation	Corydaline
Peak:m/z	Relative Intensity
52.44838	0.3
54.46785	0.3
62.03191	0.3
82.88977	0.3
91.90062	0.3
93.48170	0.3
129.89893	0.3
161.95776	0.3
165.09102	0.5
172.57979	0.3
190.08644	0.7
191.09471	1.6
204.10152	2.4
205.10893	0.4
206.11758	100.0
260.58499	0.4
335.42703	0.3
370.20099	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	370.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49823	0.8
53.72684	0.7
55.05508	0.9
56.05046	10.6
57.03464	1.0
57.06869	0.8
57.07085	13.6
58.06615	8.2
60.04528	4.6
67.05502	1.2
69.07065	1.2
71.08639	9.8
74.06090	9.4
79.05519	1.2
81.07053	1.4
83.08626	1.1
85.10197	4.6
86.06071	10.1
88.07658	4.9
93.07042	2.1
104.07101	8.9
105.07010	0.8
109.10161	1.1
110.10503	1.0
118.08646	2.1
122.08130	9.3
135.11728	1.1
151.11172	1.2
154.01717	7.2
168.03281	10.4
184.02776	3.8
198.04358	5.0
202.03804	14.0
224.23647	1.2
242.24760	16.9
265.27100	0.9
272.25980	1.7
278.21982	3.8
290.26883	26.6
322.20523	13.9
352.25473	9.3
358.72928	0.9
361.18301	1.1
366.22827	1.0
370.22610	100.0
370.26715	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	370.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.1
62.05791	2.1
62.06094	38.0
67.05506	1.7
69.07059	4.4
79.05462	1.3
81.07043	9.2
83.08628	2.6
93.07026	2.7
95.08596	5.0
107.08597	1.9
108.98193	1.1
109.10172	4.4
111.04446	13.1
111.08080	1.7
119.08565	1.2
120.08932	1.3
121.10172	1.8
125.05972	1.9
133.10094	1.8
135.11670	4.5
137.05977	62.8
137.13234	1.6
147.11700	2.8
155.49289	1.2
161.09671	4.2
175.11201	1.8
179.10629	1.5
203.17947	4.6
213.16389	1.9
231.17360	9.4
248.20070	2.2
249.18527	4.4
272.17926	1.4
276.19559	7.6
277.18036	11.6
320.22205	58.5
321.20483	1.3
336.25937	1.8
338.09445	1.6
338.23221	100.0
370.26035	7.4
370.31335	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	370.2949
Annotation	(Z)-myristoleoylcarnitine
Peak:m/z	Relative Intensity
51.84470	1.4
54.01745	1.3
57.07079	22.5
64.55651	1.4
71.08271	2.9
71.08633	44.3
85.10191	25.6
89.06048	19.5
91.05467	2.4
93.07048	11.1
94.77975	1.4
121.06499	74.6
133.08600	6.5
136.08252	1.7
147.08057	1.9
165.09081	18.1
208.54890	1.8
227.12764	100.0
280.29593	1.8
292.13605	1.5
329.20792	3.6
348.56982	1.7
353.26801	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	370.3313
Annotation	Aplidiasphingosine
Peak:m/z	Relative Intensity
55.05513	1.7
58.66199	1.3
67.05501	2.1
69.07063	2.5
70.06598	14.6
75.38332	1.2
81.07063	3.2
83.08598	3.0
88.07632	55.0
95.08623	5.6
104.50499	1.4
106.08672	100.0
107.08558	1.8
109.10098	2.1
110.27052	1.4
202.40782	1.4
309.27939	6.5
314.42560	1.5
352.32114	2.7
370.33228	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	371.0738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51762	1.7
54.31522	1.7
55.50376	1.8
57.62952	1.8
57.95160	1.8
58.13909	1.8
59.53941	1.8
62.22791	2.1
70.06577	9.8
72.08148	2.1
82.50174	1.9
83.14875	2.0
84.08137	8.8
86.09714	4.7
110.07136	3.6
112.05082	4.6
112.82037	2.1
156.07709	2.8
182.92224	2.2
245.80930	2.2
304.72531	2.4
371.07288	100.0
371.13998	3.2
371.23459	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	371.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05043	0.6
56.80798	0.6
62.17893	0.6
63.08359	0.6
67.05499	1.1
78.15783	0.5
81.07053	0.9
83.08614	0.6
83.33501	0.7
85.02908	1.7
86.09702	2.8
91.05518	0.8
95.04967	1.2
104.10768	9.7
105.11115	0.6
107.36736	0.7
119.04939	0.8
123.04430	100.0
135.04405	4.5
147.04407	2.9
161.05981	1.3
165.05484	11.7
176.41782	0.8
184.07346	4.8
185.05984	1.4
189.05446	3.0
214.23178	0.6
231.06537	3.8
255.05717	0.7
310.06006	0.9
344.90179	0.7
353.08289	0.7
370.71091	0.8
371.10080	2.9
371.22168	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	371.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07061	0.6
70.06582	1.1
83.04966	0.7
85.02896	0.7
86.09698	2.4
93.07056	0.6
96.43249	0.6
107.04971	0.6
107.08598	0.9
108.08977	0.7
109.06548	0.9
112.22500	0.6
119.05003	0.6
121.10138	0.9
131.08615	1.2
145.10129	0.8
147.11661	0.9
149.09627	0.8
177.05536	1.0
177.07504	0.7
191.10564	0.9
191.14345	4.4
203.05321	3.0
209.11522	4.0
209.15390	4.8
213.02132	2.5
231.03194	2.4
311.10367	0.7
355.10062	1.3
371.12943	8.2
371.16818	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	371.2063
Annotation	CHEBI:66791
Peak:m/z	Relative Intensity
51.51519	0.4
55.01900	0.7
57.03440	1.0
57.98801	0.4
59.05009	0.5
61.02928	3.0
69.03432	11.0
69.07077	0.7
71.05008	0.7
73.02914	0.9
81.03429	5.9
81.07061	0.7
83.04987	0.7
83.08622	0.7
85.02906	30.1
87.04474	2.4
91.03973	0.8
93.07029	0.6
95.04953	4.5
95.08612	3.3
97.02898	9.3
99.04458	1.3
105.07055	0.8
107.08592	3.9
109.02887	2.7
109.06523	3.4
109.10148	1.2
121.06457	0.7
121.10142	6.3
123.08096	2.5
123.11665	1.0
127.03886	7.5
131.08452	0.6
133.10103	1.0
135.08034	0.9
135.11694	0.8
137.09615	7.3
137.13312	0.9
145.04974	7.2
147.11705	1.2
149.09613	6.8
149.13222	5.3
151.09944	1.1
151.11174	30.3
165.12733	48.3
173.13222	1.9
191.14297	5.3
193.15901	3.1
209.07834	3.1
209.15352	100.0
300.10162	0.7
323.52332	0.5
371.12866	3.6
371.16690	3.5
371.20764	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	371.206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34418	0.5
54.06453	0.6
57.33810	0.6
57.43379	0.5
60.47079	0.6
61.17256	0.6
69.03416	4.5
69.07073	1.3
79.05480	1.4
81.07036	4.4
85.02892	4.4
85.46828	0.6
91.05466	0.8
95.04919	0.8
95.08620	1.1
97.90080	0.7
102.23267	0.7
105.06990	1.2
107.04934	1.0
107.07994	0.9
107.08598	10.9
109.06521	4.8
109.10139	4.0
117.06973	2.6
119.08547	1.1
121.06534	1.0
121.10133	10.8
122.07320	0.8
131.08559	1.4
133.10129	100.0
135.08067	13.6
135.11755	1.4
137.05972	3.1
137.09621	61.5
147.11656	1.3
149.13257	15.9
159.08011	0.9
163.14833	3.0
165.70981	0.7
167.07011	1.2
173.13228	6.1
175.04948	0.7
191.14314	39.3
209.15372	19.0
217.08539	1.5
244.71394	0.7
254.67934	0.7
292.87418	0.9
300.09787	1.2
327.13968	3.2
353.13766	1.4
353.20697	1.0
371.13028	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	371.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46912	1.0
57.42591	1.0
65.24879	1.0
66.91754	1.1
68.53008	0.9
69.03432	5.1
81.07040	2.7
85.13583	1.0
91.05460	1.4
105.06997	1.3
107.08611	11.9
109.06517	6.5
121.10135	6.6
133.10129	100.0
135.08051	13.6
137.09618	79.8
137.10689	1.4
137.21089	1.4
142.31731	1.2
147.11652	1.8
149.13249	19.0
163.14752	1.6
173.13239	5.6
180.02953	1.2
191.14302	41.5
209.13626	2.2
209.15393	8.2
239.63879	1.3
277.26266	1.2
378.87137	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	371.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	1.6
57.07060	1.2
61.02925	1.4
67.05504	2.0
69.03420	7.3
69.07056	1.2
70.06600	4.9
71.04980	4.7
73.02930	1.3
81.03426	2.2
81.07052	4.8
83.04981	5.1
83.08621	6.0
84.04474	1.1
84.08139	2.5
85.02903	18.6
86.09728	1.9
87.95464	1.1
91.03924	1.2
93.07030	5.5
95.04968	100.0
95.08566	1.7
97.02882	8.6
97.06522	1.4
99.04465	25.5
105.07014	1.9
106.87160	1.1
107.08587	4.9
109.02900	1.8
109.06512	7.7
109.10155	4.8
111.08083	1.5
119.08551	1.5
121.10133	6.8
123.11687	5.0
125.09628	2.1
127.03925	6.0
129.10271	2.3
130.08617	2.2
131.08571	2.1
133.10075	9.5
135.08037	2.3
136.07610	1.6
137.05986	1.7
137.09633	2.0
139.11115	1.6
147.11749	1.1
149.09621	6.0
149.13271	2.6
151.11105	1.9
153.09106	35.3
154.23976	1.2
163.11130	1.3
167.14302	5.8
173.13229	5.8
175.89635	1.3
177.05452	1.8
187.10855	1.4
190.10422	1.4
191.14296	13.6
209.15375	59.2
209.17221	2.1
282.89352	1.3
299.29739	1.2
353.19601	1.9
371.12424	4.8
371.16672	24.5
371.21216	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	371.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28026	1.5
53.62915	1.6
57.03439	1.5
66.06670	1.4
67.05505	3.9
67.56189	1.4
68.01492	1.3
69.03436	17.9
69.07061	3.3
70.06575	8.9
72.08165	2.7
81.03433	2.2
81.07057	3.8
83.04974	9.0
83.08636	3.1
84.08137	6.3
85.02885	12.1
85.06532	2.2
86.09708	8.4
89.06029	6.8
91.05453	2.4
95.04980	15.8
95.08594	6.1
97.02955	2.0
99.04463	3.8
104.31741	1.9
105.06996	2.7
107.08614	16.4
109.02901	2.8
109.06493	3.5
109.10139	7.3
111.08076	8.6
119.04920	2.2
121.10132	9.5
123.08018	2.7
123.11629	2.5
125.09638	31.4
127.03911	4.1
129.10252	3.6
131.08574	6.6
133.10129	10.5
135.08073	19.6
135.11687	4.0
136.07527	1.8
137.09605	2.3
138.05498	1.5
145.02849	12.4
147.04393	10.2
147.11775	2.4
149.09653	15.1
149.13248	9.2
151.11217	3.2
153.09120	11.3
163.11166	3.4
163.14772	6.7
167.10707	2.4
173.13255	28.3
177.05482	18.4
178.05754	3.0
179.06009	9.4
191.14305	100.0
209.13377	3.2
209.15355	96.1
228.54996	2.0
273.44690	1.8
335.18448	2.1
353.19778	3.3
362.77319	2.1
371.12747	4.0
371.16635	16.3
371.20605	57.9
371.25543	2.7
371.26947	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	371.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84132	2.0
55.01883	2.7
55.05520	12.9
56.04743	1.8
56.78695	1.9
57.03452	3.2
57.07081	4.3
58.62723	1.7
61.02938	3.5
66.93626	1.6
67.05504	2.3
69.03426	18.3
69.07065	10.7
71.04989	3.8
72.08157	2.1
73.02924	2.5
79.05484	3.9
81.03403	8.5
81.07051	22.8
83.04993	32.3
83.08635	30.6
84.08192	2.5
85.02919	29.4
85.06492	3.1
86.09700	2.1
93.07047	9.3
95.04977	29.5
95.08579	5.0
97.02902	19.5
97.06546	8.6
97.10239	2.9
99.04473	12.0
100.73284	2.1
103.03941	3.7
107.08578	21.7
109.02885	3.7
109.06524	10.2
109.10168	14.9
111.08096	11.2
112.84583	2.2
119.08572	4.2
121.10195	15.7
123.07974	3.1
123.11708	12.5
125.05990	4.2
125.09670	4.6
127.03926	11.8
127.07421	2.4
133.10127	9.4
135.08044	19.9
135.11703	5.0
139.09459	2.1
139.11185	8.3
145.04993	2.2
145.10107	3.6
149.09647	4.0
149.13243	22.4
151.11174	20.0
153.09114	12.8
163.14807	3.9
167.07129	3.7
167.14287	32.8
169.12283	2.7
173.13260	9.2
175.14914	4.2
181.12178	16.1
191.14311	10.4
209.15378	51.1
215.07883	2.0
221.10394	1.9
222.12454	4.2
227.16447	7.8
232.74976	2.3
234.53999	2.3
335.18518	2.8
353.19620	11.6
354.94348	2.2
371.12863	6.7
371.16681	100.0
371.20795	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	371.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01907	0.4
53.64914	0.4
55.05518	1.1
59.93472	0.5
62.33176	0.5
67.05505	1.1
69.03420	2.3
69.07069	1.2
79.05511	0.6
81.07066	5.7
83.08648	0.6
85.06549	2.1
91.05489	1.2
92.21352	0.9
93.07036	3.3
95.01376	0.5
95.04950	2.1
95.08604	10.5
97.06515	1.9
97.10141	0.7
105.07060	3.8
107.08591	4.1
109.06511	2.4
109.10194	3.8
111.06358	0.5
117.07040	0.7
119.08572	6.1
121.06477	1.0
121.09378	0.6
121.10117	4.2
123.08057	3.1
123.11664	2.0
129.07040	0.5
131.08560	4.3
133.10138	3.2
135.08046	1.1
135.11749	3.6
137.09651	2.4
143.08562	2.2
145.10121	5.2
147.08090	1.0
147.11699	4.0
149.13261	0.7
151.07518	0.7
155.08585	1.2
157.10109	4.5
159.11719	3.5
161.09622	0.9
161.13237	2.7
168.58411	0.7
169.10107	2.0
171.11714	3.8
173.09689	0.6
173.13260	4.3
175.14809	2.4
183.11674	2.4
185.13286	3.4
187.11229	0.8
187.14801	5.0
189.12737	0.8
195.11649	0.9
197.13206	2.3
199.14804	1.1
201.16429	1.9
203.68089	0.6
209.13304	2.2
211.14789	2.4
213.12733	0.8
213.16342	0.7
215.14268	1.2
215.17896	0.8
217.15883	0.6
221.13240	0.6
223.14766	0.7
227.14427	0.6
237.16490	1.0
251.17871	0.8
253.19633	0.7
269.19171	0.6
287.20023	2.0
293.22583	2.4
311.23657	3.3
325.25137	0.9
335.23553	1.1
353.24588	3.9
371.25787	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.8
55.05517	28.4
57.03443	22.0
57.07073	10.8
67.05510	63.8
69.07076	28.7
71.04995	4.4
71.08630	32.6
73.13835	1.9
75.44668	1.7
79.05499	24.7
81.07063	92.1
83.04977	4.6
83.08627	26.4
85.06527	2.4
85.10179	26.2
86.75446	1.9
88.89049	1.8
91.05456	14.8
93.07046	32.8
95.08605	87.7
95.09194	3.7
97.06539	10.8
97.10184	8.3
99.08089	21.6
105.07060	17.1
107.08593	23.8
109.06495	2.0
109.10154	21.1
113.09637	22.8
119.08556	18.4
121.10145	21.4
123.11722	14.5
127.11262	2.1
129.25235	2.1
131.08569	9.6
132.69238	2.1
133.10156	15.7
135.10759	2.4
135.11655	16.7
136.39154	2.1
137.13277	8.2
145.10115	3.4
147.11700	16.4
149.13266	11.7
151.11195	3.9
153.26794	2.3
159.11736	2.6
161.13234	5.0
163.11198	2.5
163.14871	8.7
165.12746	3.5
167.14359	2.4
173.13223	3.0
179.14394	3.3
195.13744	2.8
201.05128	2.0
212.96669	2.1
221.70776	2.0
235.43787	2.0
243.21172	9.0
261.22162	12.0
279.23163	68.4
353.26831	39.5
371.27924	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	19.0
57.03435	19.3
57.07082	14.8
62.54202	2.9
64.81010	2.5
67.05510	55.0
69.07065	20.5
71.08628	41.9
78.34081	3.0
79.05501	18.1
81.07060	77.8
83.04971	3.1
83.08631	23.4
83.56220	2.8
85.10187	32.1
91.05476	13.6
93.07051	35.0
95.04938	4.3
95.08608	70.6
97.06527	6.0
97.10175	3.3
99.08091	19.6
105.07036	16.4
107.08585	19.8
109.10110	22.7
113.09636	19.1
119.08604	12.9
121.10136	13.6
123.11705	12.8
131.08624	3.7
133.10138	6.4
135.11690	14.0
145.10155	4.1
147.11702	21.2
149.13287	3.8
151.11255	3.5
161.13298	4.6
163.14792	4.4
173.13408	3.0
243.21111	3.6
249.44284	3.8
261.22043	7.5
279.23132	61.6
306.28058	3.3
330.12473	3.3
335.25812	3.7
353.26923	51.2
371.23450	6.3
371.27917	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	19.0
57.03435	19.3
57.07082	14.8
62.54202	2.9
64.81010	2.5
67.05510	55.0
69.07065	20.5
71.08628	41.9
78.34081	3.0
79.05501	18.1
81.07060	77.8
83.04971	3.1
83.08631	23.4
83.56220	2.8
85.10187	32.1
91.05476	13.6
93.07051	35.0
95.04938	4.3
95.08608	70.6
97.06527	6.0
97.10175	3.3
99.08091	19.6
105.07036	16.4
107.08585	19.8
109.10110	22.7
113.09636	19.1
119.08604	12.9
121.10136	13.6
123.11705	12.8
131.08624	3.7
133.10138	6.4
135.11690	14.0
145.10155	4.1
147.11702	21.2
149.13287	3.8
151.11255	3.5
161.13298	4.6
163.14792	4.4
173.13408	3.0
243.21111	3.6
249.44284	3.8
261.22043	7.5
279.23132	61.6
306.28058	3.3
330.12473	3.3
335.25812	3.7
353.26923	51.2
371.23450	6.3
371.27917	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.279
Annotation	1-Naphthylacetylspermine
Peak:m/z	Relative Intensity
55.05521	23.1
57.03439	4.1
57.07072	10.7
59.05023	4.1
59.55786	2.2
67.05510	60.4
67.05849	4.5
69.07063	34.8
71.08614	4.7
79.05508	22.7
81.07061	67.8
83.04984	4.3
83.08620	21.3
85.06528	2.8
91.05483	3.1
93.07064	22.5
95.08611	56.0
97.06525	5.8
97.10162	26.1
105.07007	3.8
107.08589	29.6
109.06540	3.5
109.10165	40.6
112.00508	2.5
117.07023	4.5
119.08578	5.0
121.10127	11.9
123.11687	10.7
125.09629	17.2
131.08560	4.4
133.10147	6.2
135.08055	4.6
135.11679	27.4
137.13255	10.5
145.10109	3.4
147.11656	2.9
149.13268	2.7
149.94258	2.9
153.12755	3.5
159.11684	3.7
161.13208	4.7
179.02785	3.0
183.13840	3.3
207.61278	2.4
219.21169	2.5
227.12711	3.0
243.21278	3.2
247.28990	2.4
261.22131	12.9
279.23151	54.2
308.29248	3.3
331.31006	2.7
353.26846	100.0
371.27963	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	371.2788
Annotation	1-Naphthylacetylspermine
Peak:m/z	Relative Intensity
52.07017	2.1
55.05516	11.6
57.03446	3.8
67.05505	27.7
67.46124	2.6
69.07073	7.1
69.34798	2.6
71.07594	2.3
71.08279	4.0
71.08637	84.6
79.05482	16.1
79.68166	2.4
81.07056	51.8
83.05035	2.9
83.08620	12.5
91.05474	12.8
92.20922	3.2
93.07027	12.5
95.08608	29.7
97.06525	3.6
97.10148	13.1
99.08104	59.8
105.07030	6.4
106.04461	3.0
107.08592	22.3
109.10145	25.6
111.08091	3.1
119.08560	14.0
121.10122	13.6
123.11703	2.7
131.08623	5.7
135.11693	13.4
145.10141	6.2
147.11687	44.3
151.14799	3.6
153.12715	11.6
163.11192	6.4
163.14816	12.8
165.12744	6.8
166.91753	3.2
167.14296	4.6
173.11743	3.3
173.13203	5.4
181.15848	6.9
243.21124	6.7
261.22055	16.9
279.23187	65.5
305.78833	3.0
353.26825	100.0
371.27869	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	371.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05621	0.8
53.00316	1.3
55.01878	2.3
55.05520	18.8
57.03439	5.7
57.07075	4.2
57.11454	0.9
59.22177	0.9
67.05510	51.0
69.07070	27.2
69.14989	1.0
71.04980	5.5
71.08634	30.1
76.05115	1.4
76.07677	1.2
79.05495	18.5
81.07061	56.3
83.04995	2.4
83.08629	19.2
85.06540	4.3
85.10186	1.8
91.05476	7.2
93.07047	24.9
95.08608	46.8
97.06518	7.3
97.10155	20.6
99.08100	15.5
102.24984	1.1
105.07032	6.0
107.08599	24.2
109.06503	1.0
109.10159	36.6
109.10895	1.3
111.08067	4.7
111.11687	1.0
113.09700	1.1
117.07040	2.1
119.08569	6.6
121.10143	13.0
123.08055	1.4
123.11706	10.9
125.09641	13.8
126.58779	1.0
127.11209	1.7
131.08556	4.3
131.54292	1.1
133.10120	5.4
133.51498	0.9
135.08061	4.2
135.11705	18.6
137.13249	4.3
145.10117	7.7
147.11667	14.5
149.09555	1.3
149.13255	5.6
153.12752	7.4
158.73804	1.0
159.11665	1.4
161.13242	2.2
163.11185	2.2
163.14804	7.0
165.12755	5.1
167.14386	1.1
171.10197	1.3
173.11707	6.8
173.13260	5.5
177.16298	1.0
181.15845	1.9
187.14830	2.0
189.11264	2.4
195.13815	1.4
211.50499	1.2
223.25201	1.1
227.12834	4.4
233.22626	1.7
243.21063	6.5
245.13840	2.3
255.19543	1.4
261.22043	14.5
279.23175	47.4
353.26852	100.0
371.27951	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	371.2789
Annotation	1-Naphthylacetylspermine
Peak:m/z	Relative Intensity
52.17846	1.7
54.19822	1.4
55.01874	8.1
55.05516	17.9
57.03448	2.6
57.07074	2.0
58.91883	1.7
64.46374	1.6
67.05513	51.7
69.03442	1.8
69.07073	43.0
70.28169	1.7
71.08610	2.4
76.05133	3.8
79.05493	21.1
79.39704	1.6
81.07063	61.0
81.07547	2.0
83.04998	4.3
83.08629	25.0
85.06554	2.1
91.05477	3.9
93.07050	28.0
95.08614	51.0
97.06531	7.5
97.10175	35.1
99.08046	3.1
100.39104	1.7
105.07040	3.1
107.08607	25.3
109.10169	37.3
111.08095	3.2
119.08562	4.3
121.10144	15.2
121.13589	1.8
123.11706	14.8
125.09634	23.4
131.08556	3.5
133.10124	4.3
135.11681	21.0
137.13248	7.8
140.38113	2.0
140.85219	1.9
145.10104	3.0
147.11702	4.1
149.13226	9.3
151.14783	2.2
153.12761	16.7
161.13197	2.1
163.14868	2.1
170.35226	2.0
171.10172	2.1
173.13234	3.8
187.14838	2.3
189.11234	8.9
195.18839	1.8
223.16896	2.7
227.12811	12.9
243.21117	8.6
245.13751	8.1
261.22177	14.8
279.23154	46.0
284.49619	2.6
353.26834	100.0
371.27975	30.5
382.55441	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	371.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97021	1.1
57.07085	26.5
67.05504	9.1
69.07062	6.8
70.02951	6.1
71.08636	23.4
74.02435	11.4
75.85416	1.1
81.07062	12.0
83.08621	8.2
85.10191	13.4
87.05596	73.9
88.03999	50.7
92.21563	1.3
95.08607	20.2
97.10185	2.8
98.02405	2.9
99.00818	2.6
109.10156	8.0
116.03466	13.4
123.11752	2.6
133.06094	100.0
200.52255	1.5
239.23692	10.0
256.26303	13.6
354.26382	88.0
371.29001	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	371.363
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07061	17.7
58.50164	18.4
63.78541	17.4
67.05527	26.4
81.07072	39.1
83.08633	75.2
88.86428	18.0
91.18492	17.4
92.21442	27.4
95.08595	76.9
97.10149	34.4
101.84124	18.9
109.10119	28.5
123.11699	20.7
155.29759	20.0
184.16960	17.6
200.16415	22.8
214.48984	20.5
308.29483	100.0
326.30518	82.6
327.28946	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	371.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01233	5.2
55.05519	13.1
57.07084	9.6
67.05510	13.7
69.07060	39.1
69.87401	5.2
81.07060	37.0
83.08621	29.0
93.07039	7.7
94.70454	5.5
95.08579	47.4
95.46046	5.3
97.10154	24.1
102.39741	6.0
109.10153	27.9
123.11685	5.4
157.04257	6.2
184.16985	21.4
189.16319	9.3
200.16418	20.5
273.25647	25.8
291.26797	36.7
308.29535	100.0
326.30444	55.2
327.28827	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	372.1801
Annotation	Isoandrocymbine
Peak:m/z	Relative Intensity
65.58649	0.5
70.23550	0.5
71.68269	0.5
84.47303	0.5
86.03535	2.1
124.05045	4.7
126.06590	0.7
136.05139	0.8
149.09572	1.0
150.06685	1.2
151.07544	9.3
152.04549	1.4
153.09084	2.8
163.07481	0.8
165.09087	9.2
166.06206	1.2
175.06181	0.7
175.07588	0.7
176.07001	0.8
178.12239	0.9
180.10179	1.1
181.08562	6.1
190.08621	50.0
191.07024	3.2
191.09393	15.3
192.10196	4.4
194.11711	0.6
204.10168	2.6
208.09715	11.4
220.14413	0.9
222.11230	3.9
230.12733	0.9
241.12207	2.2
248.13934	6.1
250.09827	1.1
254.09343	1.2
267.10446	0.6
269.11688	1.0
269.56381	0.6
271.18231	0.8
277.08585	1.0
279.10043	0.7
281.11691	2.3
285.11096	0.8
291.10089	3.2
292.10901	12.9
308.10461	3.1
311.12729	0.9
313.14270	1.4
322.14212	3.1
322.17587	1.1
324.12189	0.8
338.13742	2.7
339.14584	2.8
340.18637	10.1
341.13928	0.7
352.15140	0.7
354.16858	6.4
372.17938	100.0
372.21585	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	372.1803
Annotation	7-O-Acetylsalutaridinol
Peak:m/z	Relative Intensity
58.06602	0.6
82.80164	0.4
119.04925	0.6
127.75935	0.5
136.05276	0.5
137.05975	2.2
150.06714	0.5
151.07538	9.3
153.09126	2.3
163.07506	2.0
165.09105	7.9
166.06277	2.4
167.59789	0.5
169.13174	0.5
175.06267	0.7
175.07603	0.6
179.07018	0.4
179.09416	0.7
180.10225	2.1
181.08560	6.3
190.08626	47.2
191.07005	3.1
191.09404	16.6
192.10162	4.4
204.10133	1.0
208.09674	11.0
222.11292	3.8
241.12228	0.7
250.09947	0.7
251.84752	0.4
253.12244	0.8
254.09389	0.7
269.11646	0.8
277.08496	0.8
279.10147	0.7
280.10944	0.5
281.11710	2.3
285.11227	1.0
291.10114	3.4
292.10934	15.1
308.10327	3.7
311.12723	0.6
313.14215	2.0
322.14401	2.6
323.12518	0.8
324.12213	1.0
338.13834	2.6
339.14594	2.8
341.13681	0.7
354.16965	7.1
372.18042	100.0
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	Unknow
Peak:m/z	Relative Intensity
58.06592	0.3
60.05635	0.2
74.06049	0.2
75.24784	0.2
81.07014	0.3
82.51525	0.2
84.93642	0.2
86.03530	0.4
86.09702	0.3
96.05599	1.4
123.09467	0.2
124.05077	1.7
149.09547	0.2
152.04608	0.3
161.08345	2.0
178.12231	0.2
189.07768	2.8
190.08560	0.4
202.13432	0.2
204.91539	0.2
206.08273	0.4
207.08881	4.0
208.09610	0.3
213.16713	0.2
220.09619	1.2
220.14494	1.1
222.11240	100.0
230.12889	0.5
239.07112	0.3
248.13841	1.7
252.19250	0.3
271.18454	0.3
309.10239	0.3
311.08929	0.3
322.17661	1.1
340.18747	5.1
357.11206	0.5
357.15506	0.4
359.01215	0.3
364.33765	0.2
372.14450	1.9
372.18036	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	372.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09894	0.4
52.60019	0.4
58.06585	0.6
67.05489	0.7
70.06596	1.0
72.08148	0.9
73.86676	0.4
74.06082	0.5
84.08131	2.2
84.08622	0.4
85.10163	0.5
86.09694	3.0
89.06026	1.8
89.78471	0.4
91.05499	0.6
92.35294	0.4
99.01379	0.5
109.10125	0.6
110.07162	0.5
130.08630	0.9
137.05968	0.9
137.09601	0.7
147.04451	0.4
149.05971	6.2
150.06818	1.5
151.07542	9.4
165.05478	0.6
165.09116	11.9
177.05486	3.9
177.08998	0.6
178.08601	1.0
190.08630	10.7
193.10934	2.9
194.11783	3.2
204.10205	37.7
205.10994	23.4
206.11778	5.7
208.09647	0.8
220.14445	1.1
222.11235	13.3
225.08943	0.6
233.09451	0.4
248.13905	1.1
249.09108	0.8
253.12175	0.8
263.10684	3.2
269.11774	1.7
273.63776	0.5
277.08496	0.6
279.10172	0.5
280.10858	0.6
281.11679	2.9
285.11151	0.9
289.97287	0.5
291.10190	11.3
292.10861	0.8
294.12488	0.9
297.10968	0.6
308.10162	1.1
309.11243	0.9
310.12027	0.7
311.12903	0.6
313.14331	1.8
322.14307	2.3
323.15292	1.0
338.13760	2.1
339.14603	2.1
340.18607	4.3
341.13654	0.7
352.15143	0.8
354.16757	4.2
355.23328	1.1
356.11020	0.6
357.11969	1.0
357.16101	0.5
372.17957	100.0
374.61349	0.5
387.94284	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	372.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09894	0.4
52.60019	0.4
58.06585	0.6
67.05489	0.7
70.06596	1.0
72.08148	0.9
73.86676	0.4
74.06082	0.5
84.08131	2.2
84.08622	0.4
85.10163	0.5
86.09694	3.0
89.06026	1.8
89.78471	0.4
91.05499	0.6
92.35294	0.4
99.01379	0.5
109.10125	0.6
110.07162	0.5
130.08630	0.9
137.05968	0.9
137.09601	0.7
147.04451	0.4
149.05971	6.2
150.06818	1.5
151.07542	9.4
165.05478	0.6
165.09116	11.9
177.05486	3.9
177.08998	0.6
178.08601	1.0
190.08630	10.7
193.10934	2.9
194.11783	3.2
204.10205	37.7
205.10994	23.4
206.11778	5.7
208.09647	0.8
220.14445	1.1
222.11235	13.3
225.08943	0.6
233.09451	0.4
248.13905	1.1
249.09108	0.8
253.12175	0.8
263.10684	3.2
269.11774	1.7
273.63776	0.5
277.08496	0.6
279.10172	0.5
280.10858	0.6
281.11679	2.9
285.11151	0.9
289.97287	0.5
291.10190	11.3
292.10861	0.8
294.12488	0.9
297.10968	0.6
308.10162	1.1
309.11243	0.9
310.12027	0.7
311.12903	0.6
313.14331	1.8
322.14307	2.3
323.15292	1.0
338.13760	2.1
339.14603	2.1
340.18607	4.3
341.13654	0.7
352.15143	0.8
354.16757	4.2
355.23328	1.1
356.11020	0.6
357.11969	1.0
357.16101	0.5
372.17957	100.0
374.61349	0.5
387.94284	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	372.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06165	1.8
55.01887	3.4
55.05517	12.7
59.05021	2.0
67.05508	37.0
69.03439	9.5
69.07084	8.9
71.04992	46.4
73.06569	4.5
76.04326	1.9
79.05493	15.3
81.03393	2.3
81.07055	27.0
82.97846	2.1
83.04984	2.8
83.08615	3.5
85.06555	3.9
91.05480	36.5
93.07050	38.6
95.04977	12.6
95.08608	58.3
97.06538	4.0
99.08080	2.7
105.07050	16.8
107.04961	2.6
107.08601	15.1
109.06506	4.6
109.10159	68.6
111.08085	12.7
117.07047	3.2
119.08580	59.0
121.06509	4.4
121.10172	3.2
123.08150	2.7
123.11729	2.8
131.08572	3.8
133.06567	2.9
133.10133	100.0
135.08066	8.8
135.11713	4.7
137.09624	98.1
139.07541	4.2
143.08574	8.6
147.11623	3.1
151.11192	37.4
161.09619	29.4
169.12209	24.4
175.11198	2.7
179.10661	36.5
183.13748	3.6
187.13281	14.3
189.12662	2.8
193.12248	4.3
197.11720	2.7
201.14838	58.5
211.13358	18.4
225.14882	3.3
243.16043	2.6
273.18439	8.6
288.13846	2.4
291.19510	19.4
305.21170	16.9
323.22208	28.0
372.28848	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	372.3104
Annotation	Myristoylcarnitine
Peak:m/z	Relative Intensity
55.05516	3.5
55.67358	1.3
57.07069	3.5
67.05505	8.4
69.07071	9.0
70.06586	3.2
71.08640	6.6
77.75364	1.4
79.05510	2.1
81.07049	16.0
83.08615	10.1
88.07607	10.7
88.69308	1.6
89.68790	1.8
95.08604	13.8
97.06511	1.8
97.10147	3.5
98.06038	2.7
100.07632	1.7
102.09180	6.0
107.08605	1.8
109.10167	8.8
109.72581	1.7
116.07071	1.6
116.65635	1.7
121.10104	7.5
123.11688	3.0
125.69065	1.5
135.11746	3.1
139.11212	1.7
143.09639	2.8
143.10669	47.0
161.13330	2.1
238.25240	3.5
252.26715	2.4
256.26282	31.2
280.26331	21.0
298.27127	3.5
304.43845	1.7
313.27460	2.6
330.78488	1.7
354.30133	2.5
372.30994	100.0
372.34851	34.4
392.57529	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	372.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	5.2
56.05043	9.6
57.07076	1.6
58.06601	8.1
59.82285	0.7
67.05518	0.9
69.07091	8.8
71.08640	0.9
74.06087	12.1
75.66666	0.7
83.08611	5.1
86.06046	2.8
88.07123	1.5
88.07635	28.1
92.21500	1.1
95.08668	0.7
96.99038	0.7
97.10137	2.4
118.08666	8.1
122.08142	7.5
131.97867	0.8
145.40506	0.8
196.94731	0.9
324.32623	56.9
354.33768	4.0
372.17120	1.0
372.34732	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
69.84710	0.5
70.06622	0.7
72.75761	0.5
78.65699	0.5
86.09706	7.6
89.03919	5.1
91.05481	2.8
114.06250	0.5
114.51520	0.5
117.03386	22.0
117.04194	1.2
119.04958	5.8
121.06500	0.6
133.06531	0.5
134.03700	0.8
135.04428	2.2
137.05994	12.7
145.02858	100.0
147.04396	5.6
149.06001	12.0
150.06807	1.0
151.07552	1.0
157.10072	0.5
157.13309	0.9
161.05991	1.9
162.03143	0.5
162.06761	2.2
163.03903	1.2
173.05939	2.4
175.03935	2.6
175.07520	0.7
177.05473	92.5
179.07076	3.0
201.05490	14.9
205.06540	0.7
207.06454	0.7
219.06540	3.1
237.09108	1.0
242.14891	0.8
250.06282	0.6
265.08572	3.1
277.08554	0.7
292.07349	0.9
293.08020	1.1
305.07944	1.2
307.09644	1.7
310.08240	0.7
325.10660	6.2
337.10739	0.8
343.11761	1.2
349.56689	0.6
355.11896	2.8
373.24081	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.128
Annotation	Sesamolinol
Peak:m/z	Relative Intensity
60.21293	0.6
60.51415	0.6
61.72327	0.6
62.56209	0.5
68.27131	0.7
70.06604	0.7
75.05627	0.7
77.34245	0.6
78.52475	0.6
86.09708	19.3
89.03927	5.5
91.05480	1.4
92.32262	0.7
92.63955	0.6
100.20574	0.6
103.05492	0.9
105.07052	1.1
109.06498	0.6
117.03384	25.8
119.04954	6.5
121.02904	0.8
121.06525	1.2
122.03607	0.7
124.05126	0.9
131.04886	0.8
132.10219	4.1
134.03633	0.8
135.04417	1.5
137.04997	1.2
137.05989	27.3
143.11806	11.0
145.02856	100.0
147.04419	6.8
149.05994	15.3
150.06752	2.8
151.03961	1.4
151.07521	1.2
157.13391	2.7
160.05273	0.8
161.05956	2.9
162.06723	0.8
171.11302	2.6
173.06024	4.7
175.03915	3.0
175.07524	1.1
177.05470	99.6
179.07022	2.2
185.12801	0.9
186.03186	0.8
201.05461	29.5
203.06987	1.2
203.13931	4.3
205.06480	0.7
207.06534	3.2
219.06500	8.4
223.07689	0.8
233.05930	2.9
237.09232	1.3
242.15001	2.6
251.06969	1.1
253.08560	1.3
262.06265	1.0
264.07800	0.7
265.08594	5.4
266.09357	0.8
272.02795	0.8
277.08603	1.3
283.09747	2.3
284.19846	0.8
290.05643	1.0
292.07315	1.5
293.08090	4.2
297.11145	1.0
305.07883	1.2
307.09659	3.6
311.94040	0.7
323.09232	1.2
325.10535	11.6
335.64786	0.7
337.10471	1.3
341.10254	1.3
343.11792	4.4
355.11792	7.1
373.14066	4.5
373.24338	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	373.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07068	1.8
70.06592	6.2
82.06598	2.3
86.09709	4.0
93.07031	1.9
94.06569	7.7
94.92726	1.6
95.04992	3.1
95.07376	2.3
95.08605	1.8
96.08132	26.1
108.08124	18.6
110.09683	29.7
120.08118	17.3
123.04433	2.3
124.07590	100.0
134.05994	3.2
136.07605	12.5
137.05988	6.4
138.09142	44.4
148.07626	2.3
152.07072	12.8
154.08620	36.8
155.11749	1.4
160.03935	35.0
164.07037	15.8
166.08624	54.5
166.10016	2.7
180.06564	3.5
182.12819	2.6
186.51439	1.6
188.03430	6.3
189.12445	1.6
192.06558	2.2
201.05470	18.3
211.12321	1.7
211.82622	1.8
212.13083	2.6
219.06470	2.8
220.06090	34.7
239.11778	8.4
244.12030	3.6
255.11166	1.7
257.12817	1.9
267.11667	1.6
271.14413	17.1
289.05145	2.3
289.15472	19.8
296.30334	1.6
299.13889	2.5
313.11966	8.1
317.14941	79.6
325.10690	3.1
343.11923	1.9
347.43765	1.5
355.11978	2.7
373.13934	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	373.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75205	0.8
55.84321	0.8
56.05043	100.0
60.04527	8.2
62.58823	0.9
69.03416	1.0
70.06594	4.7
72.04522	6.4
72.08157	51.2
74.02447	2.2
74.06084	4.1
84.08140	2.3
85.02895	1.3
86.09704	8.8
88.40623	1.1
90.33341	1.0
90.85126	0.9
98.06047	21.1
100.05119	1.6
102.05544	18.8
103.05069	34.2
112.05099	5.0
113.03484	33.8
116.07098	4.6
117.03355	1.5
117.06638	1.4
118.05026	1.7
120.06561	1.3
125.03495	1.4
125.24058	1.1
127.06160	9.1
128.04558	9.6
129.10236	2.1
130.05087	1.0
138.06641	1.9
138.23994	1.1
140.72466	1.0
144.06560	46.6
144.07660	2.0
145.01801	1.5
145.02844	16.2
145.06041	1.5
153.04109	4.1
155.04489	12.4
169.07285	1.5
170.88792	1.0
171.05168	5.8
171.14929	12.1
173.09250	4.4
173.12943	1.5
175.10809	6.9
177.05482	26.2
177.06943	1.8
183.08792	5.5
195.05104	10.1
199.14394	9.0
209.06662	1.0
212.06656	43.0
225.09932	1.2
229.09297	48.3
229.11600	1.9
253.09349	1.9
254.08861	7.9
255.07274	6.0
271.10297	10.8
298.20993	1.2
314.10880	23.4
314.13947	1.3
331.13580	3.8
373.14774	69.9
373.20569	3.5
373.24573	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	373.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75205	0.8
55.84321	0.8
56.05043	100.0
60.04527	8.2
62.58823	0.9
69.03416	1.0
70.06594	4.7
72.04522	6.4
72.08157	51.2
74.02447	2.2
74.06084	4.1
84.08140	2.3
85.02895	1.3
86.09704	8.8
88.40623	1.1
90.33341	1.0
90.85126	0.9
98.06047	21.1
100.05119	1.6
102.05544	18.8
103.05069	34.2
112.05099	5.0
113.03484	33.8
116.07098	4.6
117.03355	1.5
117.06638	1.4
118.05026	1.7
120.06561	1.3
125.03495	1.4
125.24058	1.1
127.06160	9.1
128.04558	9.6
129.10236	2.1
130.05087	1.0
138.06641	1.9
138.23994	1.1
140.72466	1.0
144.06560	46.6
144.07660	2.0
145.01801	1.5
145.02844	16.2
145.06041	1.5
153.04109	4.1
155.04489	12.4
169.07285	1.5
170.88792	1.0
171.05168	5.8
171.14929	12.1
173.09250	4.4
173.12943	1.5
175.10809	6.9
177.05482	26.2
177.06943	1.8
183.08792	5.5
195.05104	10.1
199.14394	9.0
209.06662	1.0
212.06656	43.0
225.09932	1.2
229.09297	48.3
229.11600	1.9
253.09349	1.9
254.08861	7.9
255.07274	6.0
271.10297	10.8
298.20993	1.2
314.10880	23.4
314.13947	1.3
331.13580	3.8
373.14774	69.9
373.20569	3.5
373.24573	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	373.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85173	1.4
55.05544	1.4
65.87792	1.4
67.05521	1.7
74.26780	1.7
79.05499	2.6
81.07056	24.8
82.39606	1.6
86.09689	2.3
86.41894	1.5
86.96489	1.8
91.05473	3.2
92.61930	1.5
93.07062	3.4
100.94391	1.9
109.06519	31.2
118.81892	1.5
119.04930	2.8
130.06544	11.3
132.08115	9.8
137.05983	52.0
154.08725	5.0
159.09180	68.8
160.07578	72.4
170.06038	12.5
180.97179	1.7
185.07097	23.5
187.08632	7.5
188.07089	8.0
192.65048	1.5
202.08635	100.0
211.08623	3.4
219.11269	14.8
236.10832	1.8
245.09201	6.5
277.13245	8.8
278.11749	2.6
295.14380	27.6
313.15344	13.6
323.13904	20.3
337.15475	2.8
341.14948	6.2
355.16495	74.1
373.17621	22.4
397.87662	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	373.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22049	4.0
61.32151	4.9
64.72212	4.1
67.05511	6.2
69.03440	6.5
69.07074	8.9
69.33435	4.5
81.07066	6.0
82.67133	4.6
83.04977	6.6
83.08638	6.6
85.02908	23.6
85.06552	7.2
92.21176	5.5
93.07044	5.3
95.08622	38.7
107.08590	11.7
109.06522	6.3
109.10158	100.0
116.54248	4.4
119.08616	34.6
121.10136	8.4
123.08070	9.7
123.11657	5.6
127.03964	6.8
133.10147	26.7
134.60905	5.3
135.11699	84.6
137.09599	11.9
149.13255	5.6
151.14838	11.9
175.14873	42.9
193.15843	52.4
200.16451	5.7
211.16911	95.0
236.95978	5.2
323.10522	5.3
373.14429	7.4
380.98312	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	373.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68237	0.7
50.75737	0.8
65.01109	0.8
70.06599	10.5
72.08149	1.6
74.23425	0.7
83.06109	24.9
84.04505	23.8
84.08144	2.2
86.09710	100.0
90.32048	0.9
93.07088	0.9
97.02916	1.0
99.59643	0.9
101.07133	8.0
106.33548	1.0
109.10136	1.6
113.07123	2.2
114.89019	0.9
120.08171	6.6
124.07618	1.3
129.06593	13.5
129.10251	1.7
130.06537	1.9
131.11829	3.4
132.10204	35.0
136.07555	1.2
137.06000	1.3
139.07527	1.0
141.06573	7.6
142.06477	0.9
145.02802	1.8
147.04437	0.9
152.10699	4.1
166.08688	1.1
168.06569	1.5
169.13336	4.5
177.05498	1.5
180.73149	1.0
196.14450	54.0
197.12860	31.3
201.05421	1.2
208.09708	1.3
214.15559	11.0
223.11644	1.2
224.13933	4.7
225.12302	5.0
242.12726	1.6
242.15002	15.2
245.18607	1.6
267.11240	2.0
295.10669	1.4
299.68579	1.6
313.08286	1.9
313.11783	7.5
331.09024	1.3
355.12466	0.9
355.23395	29.7
356.21777	6.6
373.09686	1.6
373.14032	15.6
373.18335	6.1
373.24500	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	373.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45671	0.4
54.65408	0.4
57.56456	0.4
67.05495	0.4
69.07072	0.7
70.06600	2.9
73.40872	0.4
75.05608	1.2
79.67148	0.5
80.78716	0.4
84.08160	0.7
86.09711	100.0
89.00585	0.5
92.21248	0.8
95.08590	0.6
117.03398	0.7
118.76927	0.6
120.08091	0.6
128.34613	0.5
132.10207	17.0
137.05956	1.9
143.11803	21.0
143.12842	1.0
144.30196	0.5
145.02882	2.8
153.32831	0.5
157.13364	42.3
159.09219	0.8
171.11243	4.6
177.05472	2.8
184.96066	0.5
185.12857	27.2
189.12344	21.0
201.05440	2.3
203.13945	4.1
242.15010	7.2
274.54266	0.5
285.42203	0.5
302.20804	1.1
312.19238	2.5
313.11844	3.1
325.10883	0.6
355.12045	0.7
355.23419	4.1
373.14261	3.6
373.19128	0.7
373.24527	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	373.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.2
56.05045	6.3
59.04591	0.5
60.04522	3.2
61.11274	0.5
63.85074	0.6
67.05496	0.8
69.07091	0.7
70.19492	0.6
72.04515	0.9
74.02437	2.9
74.06090	7.7
81.07063	1.0
82.47337	0.6
83.06094	0.6
84.07187	0.7
85.06527	1.3
87.94674	0.6
94.46807	0.6
95.08574	1.1
98.09681	5.6
100.11259	5.7
102.05560	6.2
108.08126	2.7
116.08233	2.6
116.10741	10.9
118.05003	0.9
118.06143	1.2
120.06577	1.4
125.10758	34.7
152.11861	9.6
156.13811	0.9
166.13403	4.2
172.13379	0.7
184.14478	7.2
198.16034	0.9
200.12778	11.2
213.16060	1.0
217.15527	7.1
222.19745	1.2
224.21252	4.1
240.20689	66.0
268.58746	0.7
272.23318	6.2
296.23328	3.5
341.25476	25.5
355.16580	0.7
373.28082	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.281
Annotation	Lys Ile Ile
Peak:m/z	Relative Intensity
51.05012	0.4
55.29599	0.4
56.05045	2.5
56.95413	0.5
57.32491	0.4
57.41644	0.4
59.25985	0.5
61.23808	0.4
65.31664	0.5
66.44980	0.5
69.29997	0.5
71.60139	0.5
72.08167	1.1
84.08149	100.0
85.06554	1.3
86.09714	22.4
88.50563	0.5
101.10796	7.7
102.09151	0.5
103.42261	0.6
109.06526	0.7
109.92474	0.6
111.09217	0.5
114.09176	0.9
117.03384	1.0
119.04956	1.1
127.53319	0.6
129.10243	83.2
132.10185	0.7
137.05986	8.0
145.02847	6.0
147.04466	1.0
147.07625	1.2
149.06013	0.8
151.07625	0.5
152.14320	2.2
162.06801	0.7
177.05450	5.9
197.16498	8.7
201.05472	0.7
207.06549	0.7
214.19130	0.8
219.06630	2.1
224.17572	2.7
225.16032	1.1
242.18631	6.5
243.16942	0.9
245.18597	2.7
260.19604	0.6
265.08829	0.7
325.10663	1.2
325.72617	0.5
343.11844	0.6
365.09872	0.7
373.14227	2.5
373.18402	7.5
373.28098	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	373.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.7
56.05046	0.9
66.85262	0.7
70.06589	4.3
72.08142	5.5
77.82194	0.8
84.04507	1.5
84.08146	100.0
85.06544	1.1
86.09705	33.8
89.06026	1.1
101.10789	6.6
101.29382	0.8
102.05529	0.8
111.09180	1.4
114.56606	0.8
120.08107	1.1
129.10236	84.0
132.10268	1.0
137.05971	4.2
140.35385	0.8
145.02863	9.6
147.04436	0.9
152.14380	1.4
160.21944	0.9
173.12845	1.3
175.03960	1.0
177.05421	11.4
197.16507	8.8
201.05461	3.0
204.63940	0.8
209.15453	0.8
214.19032	1.2
224.17558	4.0
225.15831	1.4
227.17494	1.1
242.18634	8.2
245.18587	0.9
260.19745	1.3
310.09402	0.8
349.23096	1.0
356.25558	0.8
369.66553	0.9
373.14328	1.1
373.28058	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	373.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54677	0.8
55.05500	0.9
56.05035	2.2
60.04522	1.2
60.48346	0.8
69.07086	1.1
70.02940	1.2
70.06593	5.7
72.08161	19.3
73.57126	0.9
74.06078	1.9
76.05127	1.7
84.04507	1.8
84.08151	100.0
86.09712	44.2
87.05598	3.7
88.04005	2.0
90.22936	0.9
96.05634	1.5
100.07661	1.1
100.11224	0.9
101.10804	7.4
102.05560	1.1
110.07224	4.2
111.09254	1.0
112.07614	1.3
114.63847	0.9
116.07095	4.0
116.08248	1.4
129.10243	91.6
132.10222	6.0
143.11841	1.0
144.06587	1.7
152.14407	1.4
153.01782	1.0
161.09328	1.2
188.12862	5.8
197.16495	10.9
214.19122	1.4
216.13431	1.6
224.17543	3.7
238.11725	1.0
242.18724	4.5
245.18703	1.5
272.16089	1.5
281.16113	1.5
287.49014	1.2
312.21716	1.0
321.17905	1.4
341.18204	1.5
355.19907	1.0
355.26050	1.1
373.16754	2.0
373.20865	12.2
373.28006	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	373.2808
Annotation	Lys Ile Leu
Peak:m/z	Relative Intensity
53.31281	0.5
53.79812	0.6
55.05523	1.0
56.05039	1.6
58.06591	0.8
60.05637	0.6
69.07076	1.0
70.06599	4.7
72.08160	8.6
74.06104	1.3
81.03444	0.7
81.07086	0.6
84.04512	1.6
84.08148	100.0
84.67161	0.7
85.02913	1.0
86.09709	27.7
101.10798	7.7
107.04953	0.8
112.07649	0.9
119.08558	1.0
120.08144	0.7
127.08631	0.8
129.10243	92.0
132.10168	1.0
135.11685	0.9
137.06007	0.7
138.00075	0.8
145.02782	0.9
152.14331	3.0
173.12819	0.8
195.10229	1.2
196.17990	0.7
197.16541	12.6
214.19164	1.5
217.13734	0.8
224.17632	3.5
225.15894	1.1
233.06656	3.8
242.18666	6.6
245.18585	3.0
260.19757	1.1
356.25586	0.8
373.13077	13.1
373.18356	9.4
373.28116	64.5
374.79752	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	373.2809
Annotation	Lys Ile Ile
Peak:m/z	Relative Intensity
56.05035	1.6
57.69515	0.4
66.61762	0.4
69.07057	0.4
70.06593	0.9
71.77833	0.4
71.84705	0.4
72.08169	5.0
83.06096	0.7
84.08146	100.0
85.06573	1.5
85.56055	0.4
86.09703	26.3
86.85309	0.4
92.20969	0.4
101.10792	6.0
102.09185	0.8
105.07083	0.7
111.09175	0.7
112.07615	0.7
115.08650	0.8
117.03384	0.9
119.05004	1.5
121.06409	0.5
127.08758	0.5
127.45184	0.5
129.10239	78.7
132.10217	2.1
137.05991	8.2
143.11797	0.9
145.02847	8.2
147.04381	1.0
147.07675	2.0
149.05981	0.7
149.55894	0.4
150.06795	0.6
151.07600	0.5
152.14365	1.0
156.67172	0.4
160.07097	0.6
161.06029	0.7
162.06786	0.7
168.52217	0.4
171.11298	0.9
173.05943	0.6
177.05467	6.1
179.07059	0.7
186.03233	0.6
197.16522	7.2
201.05450	2.8
203.13925	1.9
214.19116	0.6
219.06500	1.0
224.17493	3.3
225.16031	0.9
242.18613	5.8
243.17168	0.6
245.18549	1.9
260.19604	1.9
277.08463	0.5
325.10550	1.1
337.10706	0.7
343.11649	0.6
345.21457	0.5
355.12195	0.6
356.25607	0.6
373.14633	1.7
373.18524	7.5
373.28094	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	374.087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30714	0.3
56.05039	0.5
56.21891	0.3
58.06602	2.5
63.03101	0.3
69.07059	0.5
70.06603	1.2
72.08157	0.5
73.08476	0.4
76.05119	0.8
84.04494	2.7
84.08141	0.8
85.02911	0.8
86.06066	1.6
86.09705	100.0
102.05565	2.8
114.05547	1.9
116.52145	0.4
120.08132	0.5
123.26995	0.3
128.12505	0.4
129.10242	0.5
130.05005	3.8
145.02835	1.6
148.06049	11.8
157.13281	0.4
162.08870	0.4
167.80963	0.4
177.05423	6.5
180.85364	0.4
195.06517	2.6
199.18027	5.8
224.07033	1.7
225.07707	1.1
227.13918	8.2
227.17490	8.3
254.08093	1.5
255.05162	1.4
257.06766	2.0
261.14401	13.3
269.06827	0.5
270.07574	16.2
284.09012	2.8
296.05518	13.0
298.06976	2.6
301.05844	1.6
312.08527	2.9
314.06549	48.7
324.04593	0.4
328.08081	1.4
356.07611	30.3
356.18207	0.8
364.39453	0.4
374.08694	52.3
374.23077	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	374.108
Annotation	(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-1,4-benzoxazin-3(4H)-one
Peak:m/z	Relative Intensity
57.03436	1.5
65.19774	0.6
69.03416	0.7
71.01340	3.8
73.02911	6.8
78.03457	0.6
80.05029	0.7
84.04501	0.7
84.08140	1.6
85.02908	11.1
86.09698	5.9
89.85662	0.6
91.59079	0.6
95.01308	3.8
96.04532	0.8
97.02892	1.0
99.00806	1.2
101.02371	3.1
103.03968	1.1
106.02919	21.1
110.07188	1.4
113.02382	7.6
123.00719	0.7
124.03954	97.3
131.03377	3.1
141.01828	14.6
147.07710	0.9
157.13295	0.8
159.02875	0.9
166.08781	0.8
180.06532	14.2
198.07619	100.0
259.66638	0.7
350.32935	0.8
353.73685	0.7
374.10748	33.2
374.14297	1.6
374.20093	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	374.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38378	0.5
56.18725	0.4
61.02927	1.2
69.03430	3.7
69.07079	0.4
70.06593	1.2
71.04980	0.8
72.08183	0.7
84.04518	2.6
84.08139	1.1
85.02913	13.5
86.06060	0.7
86.09708	97.3
87.04484	0.6
89.03899	0.6
91.03971	0.6
97.02910	4.6
99.04464	0.6
102.05564	2.1
109.02842	0.9
117.03362	2.2
119.04964	0.7
121.02952	0.4
127.03908	2.7
129.10257	1.1
130.05002	2.5
145.02852	25.7
145.04979	3.4
147.04413	11.8
148.06039	12.4
149.06001	2.1
153.05457	0.8
161.36668	0.5
163.03850	0.8
177.05460	100.0
180.08649	2.1
195.06522	47.1
199.18047	11.1
207.29016	0.5
212.09087	0.7
227.13861	2.7
227.17516	18.0
249.08743	0.6
261.14450	7.6
270.07706	1.0
277.76752	0.5
314.06564	2.2
374.08362	1.9
374.12790	6.7
374.22977	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	374.1445
Annotation	Prochlorperazine
Peak:m/z	Relative Intensity
57.03450	0.6
61.02922	1.7
63.02373	0.4
63.29833	0.4
69.03436	2.4
81.03436	0.9
81.13271	0.4
84.08140	1.7
85.02907	14.4
86.09690	0.8
87.04457	0.4
89.03895	0.4
91.03936	0.5
97.02905	3.6
99.04436	0.6
109.02875	0.9
117.03389	2.3
120.11687	0.4
127.03928	2.7
129.10236	1.0
133.22311	0.4
145.02856	29.0
145.04813	3.3
149.05960	1.0
153.05463	0.6
163.03876	0.6
177.05464	100.0
178.23534	0.4
180.08687	3.1
183.63240	0.5
195.06532	50.8
209.12979	0.4
212.09105	1.6
231.09741	0.5
347.86871	0.5
374.14557	0.6
374.27972	0.7
395.23154	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	374.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90187	1.6
55.01878	3.8
57.03437	1.6
61.98844	1.6
67.66557	1.5
68.72326	1.6
69.03432	16.0
73.02890	2.3
74.66422	1.4
81.03418	7.3
85.02905	52.4
86.09712	24.9
87.00822	18.5
87.10035	1.8
91.05481	100.0
97.02890	17.0
99.04437	8.9
105.01878	28.9
108.04516	1.6
109.02872	14.3
118.51368	1.5
118.91730	1.5
127.03901	50.4
132.10172	2.5
145.04950	14.1
159.02914	7.1
189.03880	2.0
212.63029	2.2
215.13809	2.2
231.04973	12.5
238.44151	1.8
242.14896	1.8
243.15427	3.2
249.06064	11.3
321.09662	2.2
339.11047	2.1
362.86224	1.8
374.14337	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	374.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06611	5.4
59.01196	0.5
154.92479	0.6
164.97438	0.6
169.88072	0.6
212.04694	0.7
213.05470	0.7
223.03970	0.9
238.05891	0.6
241.05005	2.4
243.09875	0.6
253.08601	2.3
254.05768	1.0
255.06497	64.3
297.07617	2.1
311.09152	6.2
314.07852	24.8
329.10175	100.0
374.15970	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	374.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37214	0.4
58.06608	100.0
58.43756	0.4
59.98371	0.4
67.05499	0.4
72.08140	0.4
74.06086	0.7
76.05128	0.6
82.21380	0.4
83.08617	0.4
86.09715	2.7
91.05539	0.4
94.93835	0.4
104.89493	0.4
119.08577	0.5
120.35320	0.4
126.25411	0.4
130.08655	2.4
136.06125	0.5
137.39073	0.4
145.19168	0.5
193.06514	0.5
198.14932	0.5
211.07462	0.6
225.09175	0.6
227.07060	1.6
241.08598	0.9
255.06525	3.5
259.05936	3.9
301.07150	1.9
311.09210	0.7
314.07837	1.0
329.10229	5.4
343.70612	0.5
374.15952	71.3
374.25830	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	374.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11815	0.5
55.05507	0.5
58.06612	4.0
59.12861	0.4
67.01786	0.4
67.05489	0.5
69.07052	0.8
81.07072	0.7
82.69530	0.5
85.02917	0.8
86.09696	2.2
95.08613	0.5
96.08938	0.6
109.10148	4.2
110.10493	3.2
111.61811	0.6
121.10163	0.8
133.10051	0.5
135.11699	4.3
136.12042	3.7
138.10036	0.8
151.11183	0.8
176.15175	2.2
194.16238	2.2
211.17017	1.1
212.17299	5.6
215.62410	0.5
223.03886	1.2
241.04984	1.1
243.10275	0.6
253.08653	1.4
254.05737	1.3
255.06505	67.5
287.09305	0.6
297.07614	0.9
311.09137	6.5
314.07813	25.5
314.11353	1.1
319.74924	0.5
329.10187	100.0
374.15979	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	374.192
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	0.4
58.06617	0.5
58.33010	0.4
60.04528	0.8
66.11592	0.4
70.06600	2.5
72.04520	0.5
72.08151	0.7
74.06095	0.7
76.05122	0.5
80.20541	0.4
81.07025	0.4
84.04505	3.2
84.08150	3.1
84.37232	0.4
85.02905	1.8
86.06071	2.4
86.09710	100.0
97.02853	0.5
102.05582	3.2
110.07130	0.8
114.05533	2.0
116.07106	2.1
120.08115	1.1
128.07095	0.5
129.10258	2.4
130.05025	4.0
130.08629	0.8
143.11774	0.7
145.02869	2.0
148.06056	12.9
174.42072	0.4
177.05502	9.2
195.06483	3.4
199.18086	2.3
224.07004	0.8
225.07875	0.9
227.13889	8.9
227.17419	3.1
245.67436	0.4
257.06860	0.9
261.14447	15.9
264.13275	0.6
270.07620	9.2
284.09271	1.9
296.05505	9.1
298.06989	0.6
312.08798	1.1
313.49893	0.6
314.06595	29.6
314.10278	1.1
356.07602	17.3
356.18143	0.8
365.21024	0.6
374.08710	28.6
374.15930	1.2
374.20248	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	374.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92753	1.4
56.96570	3.3
60.21254	1.4
62.31084	1.5
64.92518	1.5
70.96471	1.5
80.93813	1.8
83.08578	2.1
101.06033	2.1
133.17921	1.6
237.07907	2.5
248.79919	2.0
333.17313	44.9
347.23312	2.1
351.18439	100.0
369.19434	35.0
374.19870	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	374.2
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	1.9
59.19973	1.5
61.87774	1.6
63.75895	1.7
66.44186	1.7
73.17462	1.7
74.42054	1.7
85.20753	1.6
86.73208	1.5
88.00228	1.5
89.20144	1.8
89.32431	1.8
101.06049	3.3
108.37600	1.6
113.66137	1.7
118.73195	1.7
121.64694	1.7
146.56354	1.9
172.22835	1.6
258.24008	2.0
300.28970	2.2
333.17224	33.6
351.18427	100.0
357.34802	1.9
369.19485	45.8
374.19836	4.4
374.31601	2.6
375.22095	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	374.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	6.3
84.89735	1.3
112.19833	1.7
128.98601	2.1
146.99638	2.2
189.00510	2.2
227.23109	1.4
259.12247	1.5
263.09592	1.9
264.10217	1.8
315.16309	39.0
331.15869	2.2
333.13669	7.2
333.17325	100.0
351.18396	56.7
356.18973	3.5
369.19431	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	374.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	2.0
58.06350	1.8
58.06610	23.6
61.02916	1.1
69.03413	1.7
69.07068	2.4
70.06608	3.9
72.08170	8.7
74.06102	1.2
77.81763	1.1
81.03422	1.2
83.06107	2.5
84.04512	10.5
84.08139	4.5
85.02902	9.6
86.06098	1.2
86.09709	100.0
87.04490	1.1
87.05581	10.4
88.03992	11.5
96.08139	1.6
97.02917	4.3
98.02432	5.1
99.81848	1.1
101.07153	2.0
106.06534	1.3
110.07154	5.2
113.10755	1.6
115.05038	2.1
116.07072	4.4
117.07458	1.5
119.96932	1.0
124.03977	1.9
124.07575	2.5
127.03923	2.0
129.10213	5.0
132.10234	1.6
138.09132	2.6
141.06631	2.0
141.10229	26.4
144.06575	2.6
144.76289	1.1
145.02850	17.5
147.04387	1.9
147.07625	4.6
150.42101	1.3
153.10233	1.9
155.11797	33.1
156.07698	1.6
164.07066	1.8
169.06030	1.4
177.05473	59.2
181.06146	2.0
181.09645	2.0
183.11316	20.7
186.08839	4.5
189.04309	2.7
189.12328	2.3
193.09773	1.3
195.06523	28.6
200.13942	59.3
207.05405	2.2
211.10825	6.4
212.09128	1.6
224.14142	1.2
226.08174	4.7
226.11830	1.5
228.13441	45.3
231.05353	1.7
238.03877	1.8
240.09009	1.3
243.10944	1.8
255.11250	5.3
259.14825	1.3
262.45801	1.2
270.14471	8.5
285.15530	6.5
294.14551	1.6
298.11975	4.7
333.08484	5.4
342.10837	2.4
356.15506	1.3
356.19400	6.7
357.17648	6.4
374.08722	2.6
374.15781	21.6
374.20389	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	374.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31408	1.5
52.65767	1.2
56.05025	2.0
57.69564	1.3
58.06604	8.6
59.01829	1.5
59.88651	1.2
66.90038	1.2
69.07066	2.1
70.02956	3.1
70.06583	2.6
72.08165	2.6
79.73689	1.3
83.06112	25.9
84.04507	100.0
84.08131	7.5
86.09706	55.9
87.05596	17.1
88.03979	2.0
95.49095	1.5
98.02411	3.1
101.07144	18.2
105.88113	1.6
110.07164	19.6
112.03973	1.4
115.05064	2.3
117.87874	1.4
124.03965	1.9
128.08229	6.4
129.06624	2.3
129.10219	7.8
132.07701	6.9
132.10191	22.4
134.04379	1.8
139.05026	6.8
146.89662	1.8
155.08139	2.3
155.11781	3.0
166.08623	10.2
167.04556	2.3
180.07657	8.7
181.06073	35.2
181.10654	2.2
183.11253	16.0
187.10774	5.4
197.10356	18.6
198.08818	15.8
200.13893	2.2
209.05598	21.6
212.09279	7.2
225.09804	9.7
226.08241	35.3
227.06789	1.8
229.11839	2.4
243.10855	20.6
270.18188	1.5
294.14447	24.7
311.17111	2.9
339.16660	11.1
340.15030	11.5
356.19290	51.5
357.17697	25.7
374.15738	7.5
374.20285	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	374.2283
Annotation	Ile Glu Leu
Peak:m/z	Relative Intensity
52.77195	0.4
54.13615	0.4
55.54458	0.4
56.05043	0.7
69.07071	3.7
70.06598	2.1
72.08140	0.5
76.63838	0.4
84.04507	6.8
84.08134	0.5
85.02911	0.8
86.09711	100.0
87.10036	0.6
91.05487	0.7
102.05538	8.6
102.06181	0.6
109.79128	0.4
129.06587	0.9
132.10217	13.7
141.06561	0.8
161.25859	0.5
170.11736	0.8
194.58011	0.4
197.12860	15.4
211.25334	0.4
215.11896	0.8
215.13887	14.9
220.16962	0.7
225.12296	0.6
243.13397	41.3
261.14447	4.6
374.18811	0.9
374.22977	10.4
374.28082	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	374.2285
Annotation	Ile Leu Glu
Peak:m/z	Relative Intensity
53.26656	0.3
57.23530	0.3
66.89175	0.3
69.07067	2.2
72.08153	0.4
82.82587	0.3
84.04500	0.6
84.08153	0.6
85.21612	0.3
86.09708	100.0
102.05558	0.7
129.10220	0.7
130.04999	1.7
148.06033	9.6
158.22260	0.4
158.99579	0.3
199.18048	14.6
204.70648	0.3
213.07442	0.4
227.17522	24.6
261.14474	8.4
374.16171	0.7
374.22800	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	374.2286
Annotation	Ile Glu Leu
Peak:m/z	Relative Intensity
52.17323	0.4
56.05031	1.1
59.87729	0.4
60.05646	0.7
69.07076	5.1
70.06583	0.6
74.06068	0.9
76.05129	0.6
84.04512	6.0
84.08109	0.5
86.09708	100.0
93.07040	0.5
96.09122	0.5
100.92841	0.5
102.05550	8.5
120.08173	0.5
129.06572	0.9
130.04927	0.6
132.10207	11.1
137.05954	0.6
141.06648	0.8
170.11789	0.8
197.12849	13.5
215.13916	14.9
243.13376	46.5
261.14383	5.7
280.20322	0.6
342.20273	1.0
356.21622	1.0
374.22781	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	374.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	1.8
56.05040	7.0
56.21795	0.9
60.05649	2.2
63.40604	1.2
69.07082	1.6
70.06593	2.5
72.04531	5.2
72.08164	2.3
74.02451	1.5
74.06094	6.6
74.55422	1.7
75.82846	1.0
76.05151	6.8
83.08637	1.6
84.04529	4.3
84.08164	2.7
86.09711	82.9
87.05574	1.2
91.13775	1.1
93.07059	1.8
96.05608	17.5
98.07137	1.1
102.05571	6.0
107.08612	1.9
108.05621	4.9
110.07191	9.4
110.09756	1.8
113.55578	1.1
116.08228	11.4
117.08598	1.5
118.05018	5.3
119.08596	4.3
119.47163	1.0
120.06622	6.5
121.10136	1.5
122.07204	2.6
124.11316	1.6
128.08258	2.0
129.10278	2.7
130.05052	1.4
135.07664	4.2
136.11295	2.2
138.09172	2.2
140.10789	1.5
147.07736	1.4
148.06129	6.4
149.09665	5.1
150.88937	1.0
160.07291	1.7
164.10710	2.2
165.13994	1.7
166.12283	2.6
177.09882	5.2
178.13460	2.6
183.14972	4.7
184.14554	1.3
185.12860	1.7
191.11905	4.9
197.16574	1.4
199.18074	13.1
200.18529	1.3
206.12881	15.9
208.14447	1.7
222.15913	1.1
223.15686	1.6
224.13901	1.9
227.17520	14.4
231.15462	2.5
241.16577	36.1
255.18248	5.1
261.14331	1.5
273.19342	2.4
325.18704	2.3
331.20105	1.2
332.19931	14.2
342.21313	38.6
356.23108	5.1
374.24066	100.0
380.66653	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	374.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83642	6.6
53.05263	6.3
55.01894	6.8
55.05516	18.5
57.03436	7.5
67.05498	79.7
69.03396	8.1
69.07061	61.7
71.04986	60.5
78.00770	7.0
79.05496	59.1
81.07052	100.0
83.04936	11.7
83.08607	14.7
87.41891	8.4
91.01083	8.0
91.05461	41.3
93.07031	96.2
95.04974	13.3
95.08587	52.3
97.06538	16.5
97.10170	33.4
102.09241	7.1
105.07035	45.1
107.08576	78.0
109.06451	10.5
109.10183	52.5
111.08089	10.0
117.06959	29.3
119.08578	55.4
121.10133	49.1
123.11659	10.2
125.09586	30.6
131.08559	35.3
133.10135	49.9
135.08109	9.4
135.11665	17.2
145.04907	12.5
145.10114	10.2
145.25029	6.9
147.11703	31.7
149.09601	17.1
149.13258	31.3
159.11626	26.9
173.11760	33.3
177.12604	8.7
181.12096	8.0
187.13281	44.0
195.13809	14.2
199.14859	9.9
217.15880	15.4
227.16463	38.7
232.60378	7.8
241.17931	11.7
249.18501	25.7
256.26285	14.0
257.19046	10.7
275.20056	67.4
281.21170	39.6
289.21545	16.2
307.22656	14.9
374.28958	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	374.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	9.5
55.05526	9.4
56.08300	5.0
67.05515	79.5
69.07059	34.5
71.04991	100.0
78.33201	5.7
79.05519	39.0
80.19930	5.2
81.07068	60.9
83.08636	21.1
88.07637	13.6
91.05454	8.9
93.07049	51.8
95.08599	47.1
97.06511	21.4
97.10172	39.6
99.04430	9.5
105.07022	20.5
107.08599	66.8
109.10165	81.4
111.08052	8.0
113.09571	6.6
117.07014	9.1
119.08568	21.8
121.10149	28.9
125.09614	44.4
126.74203	5.7
131.08559	8.4
133.10118	21.9
135.11691	13.4
145.04910	55.9
147.11687	12.2
149.13329	12.5
155.10654	27.1
159.11739	42.2
173.11760	44.4
177.12656	12.6
187.13286	79.0
203.12779	37.4
241.17975	65.6
256.26358	46.4
257.18945	12.2
275.20120	48.3
289.21793	8.3
307.22641	28.3
374.29160	69.2
378.07050	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	374.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07803	4.6
51.96421	5.1
55.05518	12.6
67.05508	69.2
69.07072	39.8
71.04997	89.5
73.06561	8.1
79.05482	37.5
81.07064	51.0
83.08618	27.8
85.06546	10.4
91.05489	33.7
93.07053	59.8
95.04977	8.1
95.08619	38.3
97.06516	13.6
97.10169	59.5
105.07048	30.3
107.08591	80.8
109.10160	99.5
111.08173	8.3
119.08575	29.4
119.12411	5.0
119.69810	6.0
121.10162	31.0
125.09641	72.5
131.08574	23.0
133.10115	32.9
135.08061	21.3
135.11694	22.8
137.09599	8.0
145.10181	10.6
147.11691	10.1
149.09554	8.9
149.13249	12.6
153.12675	8.1
155.10637	41.8
156.64951	5.3
159.11671	27.8
169.10106	5.6
173.11746	70.3
173.13170	10.0
177.12784	11.5
187.13283	100.0
203.12819	41.0
227.16533	8.1
241.18036	59.5
257.18979	12.3
275.20004	70.5
289.21698	27.6
307.22647	32.4
308.63242	6.3
321.24191	12.4
391.94891	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	374.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	23.5
67.05502	73.2
69.07062	38.6
71.01328	7.0
71.05000	89.3
79.05490	35.5
81.07068	100.0
83.08609	21.3
83.12209	4.8
85.06539	12.0
91.05482	44.4
92.24992	5.7
93.07033	70.4
95.04942	11.8
95.08584	40.8
97.06554	51.1
97.10167	21.7
99.04437	5.4
99.08085	8.1
105.07031	32.8
107.08585	45.4
109.06511	12.8
109.10144	50.6
111.08070	9.2
113.09686	6.1
115.07583	9.0
117.07020	6.4
119.08569	30.9
120.28203	5.4
121.10147	31.0
123.08049	9.1
125.09639	12.6
130.84961	5.8
131.08571	26.8
133.10126	32.6
135.08028	6.9
135.11676	29.5
145.04933	21.2
145.10110	10.7
147.11681	11.9
149.09610	8.5
149.13297	10.3
153.12729	6.7
155.10701	10.6
159.11658	32.5
165.12712	5.8
173.11725	33.5
177.12753	19.9
187.13309	36.5
195.13799	10.8
199.20406	5.2
203.12776	10.1
226.15570	7.5
227.16415	36.2
241.17877	39.1
252.81046	6.1
256.26370	21.2
275.20044	35.7
287.25360	5.5
289.21652	7.4
307.22531	22.2
374.29041	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	374.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35030	5.8
55.01879	7.6
55.05512	49.0
57.03467	7.2
57.07083	6.8
58.09414	5.4
67.05511	39.6
69.07075	15.1
71.04997	37.6
79.05500	7.3
81.07059	28.8
83.08633	93.2
85.02895	8.2
91.05496	28.7
93.07053	42.7
95.04962	14.0
95.08612	100.0
96.26800	6.0
97.10143	7.1
98.07137	6.4
105.07041	12.2
107.08595	27.0
109.10185	57.4
111.04476	7.2
115.11230	38.1
119.08609	64.6
121.10178	7.4
123.08112	7.3
125.09661	12.1
131.08539	10.6
133.10110	85.6
135.08072	12.8
137.09619	86.6
145.12233	16.1
147.11670	11.3
149.09610	9.6
151.11186	43.6
153.12743	8.0
156.75044	6.9
161.09657	27.8
175.11182	15.1
177.12794	7.1
179.10649	15.5
193.12161	12.5
201.14864	33.2
211.13219	11.6
225.14880	25.3
258.14923	6.8
275.20105	35.4
293.21179	54.8
307.22641	85.8
311.68063	7.9
325.23822	16.0
374.30603	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	374.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94073	4.3
51.99077	3.9
55.01886	7.8
55.05518	40.8
59.21843	3.9
67.05503	42.2
69.07067	11.8
69.21889	4.9
71.04990	27.5
79.05486	21.1
81.07053	30.8
83.04977	8.1
83.08636	92.2
85.02922	5.2
91.05482	38.9
93.07027	36.6
95.04974	12.4
95.08616	100.0
97.06502	7.8
105.07094	15.2
107.08601	23.0
109.06519	9.6
109.10130	48.6
115.11184	26.4
115.28242	5.2
117.07095	6.0
119.08528	40.7
125.09612	26.3
131.08582	5.8
133.10130	71.9
135.08052	11.2
135.11707	21.7
137.09631	77.2
140.48170	4.8
141.09113	10.0
145.12276	21.9
145.31943	5.5
147.11728	6.4
149.09721	5.9
151.11176	39.0
153.12718	6.4
160.43977	5.0
161.09627	24.3
163.11215	6.8
169.12274	11.9
175.11166	9.3
179.10664	28.6
180.11095	4.8
183.13829	7.2
187.13274	5.2
193.12160	10.0
201.14879	30.3
207.13864	6.5
211.13344	20.4
221.08121	6.3
225.14798	31.5
256.62213	6.3
275.20016	24.8
293.21155	40.5
307.22614	69.1
316.83502	5.0
325.23602	22.2
335.78958	5.5
339.25247	7.6
366.89548	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	374.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07070	1.3
67.05502	0.9
96.80543	0.9
98.66738	0.9
121.51241	0.8
129.09126	18.2
140.93726	0.8
144.76622	0.8
177.53528	0.9
215.18053	0.9
333.23019	1.8
341.41074	0.9
374.30209	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	4.8
57.51537	3.0
85.34115	2.7
91.05772	6.6
129.09119	73.1
194.87613	3.1
374.30032	100.0
374.36438	4.6
399.14725	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	374.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58858	0.3
55.68642	0.3
57.07082	6.8
62.64367	0.4
70.69094	0.3
72.10248	0.3
77.66210	0.4
85.06548	4.7
92.69456	0.4
106.46778	0.4
120.49687	0.4
129.09113	100.0
130.51048	0.4
146.96834	0.4
185.15416	0.6
242.24828	0.5
332.23431	0.4
333.23163	0.9
365.03705	0.4
374.32932	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	374.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86701	0.3
53.28205	0.4
54.79335	0.3
56.92334	0.4
57.07084	6.3
68.28852	0.5
73.02926	0.6
85.06543	4.9
87.59628	0.4
117.10225	0.4
120.55510	0.4
121.03953	0.5
129.09114	100.0
157.12233	0.6
185.15382	0.6
314.64453	0.5
374.32755	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	375.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.4
55.01876	1.4
55.05514	2.1
57.03440	1.9
61.02926	2.4
67.05500	4.1
68.99799	1.7
69.03433	12.4
69.07060	5.7
71.05000	12.1
71.67702	0.8
81.03429	35.6
81.07061	8.0
83.04977	1.6
83.08628	1.2
85.02911	41.3
85.06554	1.0
86.09693	5.7
87.00833	6.1
92.21250	1.8
93.07046	2.1
95.08611	7.3
97.02892	43.0
99.04460	43.3
99.08114	1.4
103.03952	19.2
105.01845	2.3
105.07067	1.3
106.57220	0.9
107.08598	5.5
109.02884	63.5
109.06481	1.2
109.10157	27.8
121.10146	8.4
122.06016	1.3
123.11687	2.2
124.07561	1.9
127.03918	100.0
127.11224	1.5
129.01015	1.0
129.01849	6.3
133.10167	1.1
135.11662	3.6
137.06075	1.1
137.13327	1.1
138.05502	1.6
143.11821	1.5
145.04982	12.3
146.05984	3.7
147.02896	3.9
153.12778	2.0
159.09229	1.5
163.06052	8.1
167.10646	1.1
176.07072	3.9
177.16389	9.9
188.07008	7.7
192.06529	2.3
195.17409	15.6
204.06593	1.3
205.09732	4.0
211.92221	0.9
213.03868	8.0
213.18480	36.8
231.04915	7.9
234.07513	2.0
236.09152	6.0
253.06929	1.6
271.08090	1.8
273.06012	1.8
300.49124	1.2
308.02884	1.2
343.09232	1.7
343.12939	2.1
357.08105	3.7
357.14734	1.3
357.22714	1.4
375.09534	6.0
375.19693	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	375.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.4
56.05053	1.6
57.03457	1.3
58.06620	0.4
60.04541	1.1
60.77893	0.2
60.85259	0.3
65.96539	0.2
69.03442	1.9
69.07081	1.3
70.06606	1.6
71.04997	0.4
72.04520	0.4
72.08176	0.5
73.02927	0.4
74.02435	0.6
74.06096	1.3
76.05142	1.5
79.05514	0.3
81.03419	2.4
84.04500	0.6
84.08151	4.0
85.02906	3.9
86.06080	0.3
86.09711	4.8
87.00851	1.4
87.10049	0.6
88.03981	0.5
96.05613	6.7
96.08128	0.3
97.02892	1.5
97.06522	0.5
99.04448	0.6
102.05556	2.5
105.01890	1.5
108.05612	1.6
109.02880	3.4
109.06538	0.5
110.07154	1.1
111.08077	0.3
112.05083	4.6
112.08820	0.5
114.06627	0.4
116.08238	0.4
118.05023	0.5
127.03920	100.0
128.08168	2.7
129.10229	5.5
130.04915	0.3
132.10211	0.3
136.08714	0.4
140.08182	1.3
145.04944	1.1
159.02882	1.8
160.07149	1.1
176.11871	0.3
177.09766	1.1
184.10793	0.3
213.09801	0.4
224.13948	1.0
226.11751	0.4
242.14874	0.6
256.18622	0.4
262.14032	0.3
286.66226	0.3
343.16058	0.3
343.19739	4.4
357.23056	0.4
375.09131	2.4
375.18719	1.3
375.22308	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	375.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13379	0.1
51.94034	0.1
53.03946	0.2
55.01872	0.7
55.05516	0.2
57.03437	0.3
62.51239	0.1
69.03427	2.0
70.02953	0.2
70.06587	1.1
71.04980	0.2
72.08172	1.4
73.02917	0.6
81.03429	2.6
84.04496	0.6
84.08152	1.1
85.02911	4.2
85.62555	0.2
86.09710	3.4
87.00829	1.5
87.05608	0.3
87.10046	0.3
96.05594	0.2
97.02903	1.2
99.04465	1.0
102.05531	1.2
105.01860	0.8
109.02880	3.2
110.07191	0.3
116.07162	0.5
117.01845	0.2
119.39865	0.2
123.98479	0.2
127.03918	100.0
128.07104	0.2
129.01814	0.2
129.10226	0.9
130.05042	0.2
132.10220	0.8
137.05888	0.2
140.71744	0.1
141.10208	0.2
143.11830	0.2
145.05043	1.1
157.13329	0.2
159.02892	1.9
159.07568	0.2
162.07614	0.3
166.04974	0.2
169.09767	0.2
186.12373	0.7
187.07236	0.2
189.12305	0.2
201.38097	0.2
209.09291	0.4
214.11923	0.6
226.89366	0.2
227.10513	0.2
231.04964	0.3
244.09195	0.3
244.12979	0.2
260.10696	0.2
302.24399	0.2
375.08417	1.6
375.12650	1.3
375.22675	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	375.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38304	3.5
53.64985	2.8
54.31385	2.8
54.60690	2.7
58.06608	6.0
65.56229	4.0
65.74696	2.9
70.06580	3.6
71.05755	3.1
71.51989	3.3
81.07076	3.4
85.02876	3.3
86.09702	15.5
98.97607	15.4
115.29771	3.5
127.03922	5.3
145.02930	4.1
151.03883	4.2
188.07129	3.9
237.02806	4.3
307.10587	26.7
315.39056	3.7
371.56125	4.4
375.10437	100.0
375.14874	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	375.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
67.14932	0.4
81.03423	0.6
85.02923	0.5
97.02914	0.7
101.01727	100.0
103.03963	0.6
105.29398	0.5
109.02867	0.6
127.03932	2.0
127.99880	0.4
130.06514	9.4
130.57852	0.5
132.08067	2.6
143.02751	2.9
144.08081	2.6
146.03798	2.9
146.06041	4.3
147.02177	0.9
159.07866	0.6
159.09175	15.4
161.50119	0.5
170.03853	5.8
170.06035	2.1
183.09198	0.8
186.03311	0.6
188.07057	16.8
204.04350	4.7
205.09714	2.0
211.08672	2.1
256.10590	0.6
269.08539	3.0
270.06940	8.1
287.09662	12.9
315.08923	0.8
329.10541	2.7
333.10107	23.2
375.11185	59.5
391.40421	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	375.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30787	0.6
56.05021	0.7
60.04526	1.1
68.48654	0.6
69.03454	0.9
69.07056	1.3
70.06604	5.3
72.08152	4.5
81.03417	1.7
82.59644	0.6
84.08131	4.9
85.02917	3.0
86.09699	7.4
91.05460	1.2
92.91496	0.7
96.05626	0.9
97.02882	4.1
99.04419	1.3
103.03995	0.9
109.02862	3.4
117.36485	0.7
118.49313	0.7
120.08079	1.0
127.03902	6.0
129.10254	3.2
134.97389	0.8
136.50610	0.7
137.05942	1.2
144.99461	0.8
147.02124	0.8
147.04428	1.3
149.09653	0.9
151.03844	0.8
195.06644	0.9
199.09366	8.2
206.12938	1.3
213.13098	1.0
231.03107	1.0
241.10246	1.2
242.14999	3.1
245.09216	0.8
273.13571	0.9
274.17657	0.8
279.33044	0.9
343.09134	1.1
343.19504	3.8
346.63815	0.9
375.12555	100.0
375.22781	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	375.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05047	52.2
72.04527	13.1
72.12846	2.9
73.71755	2.6
74.06091	19.9
76.05125	69.6
97.35823	3.5
102.05564	4.0
112.02483	4.4
116.05616	16.4
117.06667	3.9
118.03544	6.3
118.05028	38.2
120.06645	3.6
129.10217	3.2
130.03534	21.7
131.09258	5.9
134.06654	16.1
135.07664	3.7
142.03468	28.9
151.04593	3.5
159.08716	5.3
160.04550	100.0
160.07162	84.3
160.08318	5.1
169.05797	5.3
177.08673	27.8
177.09944	93.0
178.05618	27.2
181.04550	4.3
199.05426	15.0
199.06821	32.9
210.07297	5.1
210.16252	3.5
211.06905	4.8
213.23022	4.2
214.06769	7.9
217.06758	67.3
217.08122	20.6
226.06847	7.8
232.07875	4.6
241.07823	7.3
255.09216	3.7
256.08945	13.5
259.08859	6.7
267.09509	20.3
268.08981	40.0
268.48355	3.8
273.10425	46.0
274.08942	5.8
279.09488	5.3
285.10513	5.3
286.08914	3.7
315.12411	19.5
327.11499	55.4
339.12723	7.1
357.12601	67.5
375.14636	91.0
375.23135	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	375.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05041	21.2
57.50160	1.5
62.41486	1.7
72.04508	13.1
74.06090	10.4
74.40965	1.9
76.05128	66.8
77.02531	1.7
84.08162	3.0
86.09728	3.0
102.05570	3.1
112.02486	3.1
114.04037	2.4
115.55154	2.1
116.05632	10.9
118.03606	2.0
118.05025	26.7
120.06580	2.0
129.10249	3.5
130.03525	10.7
132.05061	2.1
134.06631	16.9
135.07666	2.1
142.03560	10.9
151.04671	4.0
159.08838	7.9
160.04555	59.6
160.05827	3.9
160.07162	61.8
169.05754	12.5
173.08875	4.2
177.08699	11.2
177.09904	79.6
178.05699	11.9
184.05664	2.7
199.06961	34.0
211.06821	3.2
214.06787	7.4
216.08360	2.1
217.06505	9.9
217.08191	52.5
226.06908	3.9
238.07980	2.6
240.08443	2.9
241.07878	4.7
255.09422	3.2
256.08884	2.6
259.08896	8.9
267.09567	9.6
268.08920	34.2
268.11227	2.1
273.10431	53.3
285.11456	3.0
315.12570	28.7
327.11588	25.7
339.12979	3.7
357.12814	33.4
371.24786	2.3
374.95523	2.0
375.09143	3.2
375.15549	100.0
375.22946	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	375.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35656	1.2
58.06598	2.1
67.05515	5.4
69.03445	1.6
74.20870	1.1
76.37248	1.6
79.05517	1.3
81.03425	7.8
81.07054	2.0
82.06615	1.4
85.02913	8.5
86.09703	1.4
95.04984	1.3
97.02930	8.7
99.04471	8.9
101.01682	1.5
103.03953	2.5
106.06515	1.4
107.08604	2.1
109.02876	11.8
120.65178	1.2
122.06072	2.6
124.07590	18.6
126.10619	1.3
127.03903	18.5
138.05502	23.1
138.09180	1.8
151.03931	1.4
160.03998	7.3
165.72343	1.2
172.04041	1.6
174.05412	1.5
176.34122	1.3
190.05011	24.4
190.08640	3.0
195.13611	1.4
202.62222	1.3
204.06525	9.6
206.08118	2.5
209.10773	2.0
213.18484	2.0
222.07645	1.5
224.07147	1.5
225.10303	1.9
229.09763	2.3
237.10225	10.7
238.08728	1.4
238.11116	1.3
239.09470	4.3
240.10335	1.7
241.09602	8.7
242.08170	1.3
250.07286	3.1
252.09033	3.0
253.09770	7.7
255.11287	5.4
256.09619	1.5
256.12131	2.5
259.10809	30.9
260.11646	2.3
265.09720	27.9
266.08188	6.1
266.10660	1.7
267.11322	5.5
269.12787	1.4
275.13913	20.4
281.09241	5.1
282.11337	14.4
283.10788	53.3
284.11691	2.5
285.12357	1.6
287.13910	1.5
290.40979	1.2
293.09232	7.6
295.07281	1.7
295.10812	5.8
297.08636	1.4
297.12439	8.4
298.10733	1.7
300.11322	4.4
307.10687	1.9
311.10324	8.1
315.09933	2.1
315.13327	14.1
325.11816	28.0
326.10364	7.5
343.12860	88.6
375.15564	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	375.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64988	1.0
55.40661	1.0
55.40937	1.0
55.57562	1.2
57.66980	0.9
59.95908	1.0
69.70972	1.1
72.08161	2.2
79.05459	1.3
81.03392	2.1
81.07066	19.4
85.02877	1.3
85.06544	2.4
86.09692	1.9
91.05466	2.4
93.07050	5.7
94.06522	1.2
97.02917	1.8
109.02887	1.9
109.06513	21.4
119.04929	5.4
124.66701	1.2
127.03875	2.3
130.06531	28.3
131.19122	1.3
132.04446	6.3
132.08095	2.4
137.05975	29.1
146.11792	1.9
147.12209	1.3
157.07607	100.0
158.06013	39.4
159.09183	19.0
175.07126	2.8
175.08656	80.7
185.07098	13.0
186.05595	1.6
195.20134	1.2
203.08150	74.4
204.06564	4.8
213.64111	1.3
221.09209	24.9
311.13745	2.5
313.15454	8.1
329.14938	7.3
339.13412	5.7
357.14520	31.0
375.15598	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	375.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10265	0.5
56.19705	0.6
59.08974	0.6
61.02935	0.7
61.05627	0.5
68.99811	0.7
69.03434	3.5
69.07065	5.2
71.83187	0.7
79.05479	0.8
81.03408	3.2
81.07072	2.5
83.08622	0.8
85.02908	8.2
85.06549	1.0
86.09708	0.8
89.88645	0.7
92.21299	1.3
93.07039	1.5
94.06563	0.8
95.04984	0.9
95.08601	4.9
97.02887	2.4
97.10213	0.7
99.04459	7.5
99.08085	2.7
105.01881	0.6
107.08590	3.7
108.08123	5.9
109.02861	5.9
109.06481	0.7
109.10176	1.3
109.19497	0.7
113.09752	0.6
114.09166	1.2
121.10152	7.1
121.87613	0.6
122.06031	11.2
127.03927	13.0
127.64960	0.6
129.01823	1.5
135.11708	3.1
137.13190	0.6
138.05487	2.8
139.27206	0.6
140.07077	16.6
140.98427	0.8
146.05965	1.1
157.07556	0.7
158.13211	0.7
174.05540	3.5
176.07066	3.7
177.07909	0.8
177.16382	11.8
187.02588	0.9
188.03389	7.3
188.07188	0.7
190.08632	1.0
192.06589	4.9
195.17444	1.5
199.95197	0.6
202.04994	46.4
203.05750	9.9
204.06540	14.0
206.04510	1.4
213.18520	6.6
220.06030	5.0
221.06723	1.2
231.05138	0.8
234.07611	100.0
235.08391	1.4
236.09171	25.9
343.08911	1.2
343.12857	22.4
357.14529	3.5
361.13763	7.6
375.15518	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	375.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03472	1.2
62.51659	1.0
67.05505	2.1
69.03422	2.2
70.06585	2.2
72.08156	2.7
73.02908	5.5
76.05141	1.8
79.05489	1.9
81.03365	1.3
81.07065	24.4
84.08149	2.0
85.02900	6.6
85.06531	1.6
86.09710	9.8
91.05474	6.4
93.07054	7.3
95.04977	1.1
97.02883	6.0
107.08635	1.1
109.06517	22.9
119.04942	5.5
119.61890	1.1
120.08038	1.5
127.03944	1.9
127.07552	2.4
129.10277	2.4
130.06526	36.8
132.04457	7.6
132.08067	5.7
136.07608	1.6
136.20055	1.4
137.05986	29.0
157.07614	100.0
158.06020	49.8
159.09180	26.2
162.41025	1.4
172.08678	5.1
175.07129	2.7
175.08665	83.6
185.07092	21.2
185.73239	1.3
186.05515	5.4
202.04741	1.2
203.08168	58.3
204.06564	2.5
214.09772	2.0
216.07671	2.0
221.09221	19.0
224.56729	1.4
243.08757	26.4
245.09050	1.7
253.46538	1.3
260.01636	1.5
274.17630	1.3
275.11792	2.1
285.09717	5.8
295.14456	2.3
298.19553	1.5
311.13947	1.7
313.15421	15.9
329.14911	6.5
339.13721	10.5
357.14618	29.9
375.12231	23.1
375.22318	8.5
390.29092	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	375.1583
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62646	1.3
76.05127	8.2
79.56770	1.1
107.22433	1.3
110.26838	1.3
116.05627	2.7
118.05041	1.8
134.06668	13.9
151.04695	2.4
157.04642	1.9
160.04552	16.5
160.07181	7.7
162.84023	1.3
169.05804	9.2
173.08763	2.7
177.09822	13.2
199.06772	35.1
214.07895	1.7
217.04398	1.8
217.07813	55.4
240.08316	2.4
242.11050	1.4
245.03534	1.8
255.09253	5.1
271.01700	1.4
273.10431	76.0
285.11603	2.2
315.12631	35.6
319.71118	1.4
333.01611	2.3
357.14755	2.9
374.94644	6.9
375.15854	100.0
394.31351	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	375.1583
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62646	1.3
76.05127	8.2
79.56770	1.1
107.22433	1.3
110.26838	1.3
116.05627	2.7
118.05041	1.8
134.06668	13.9
151.04695	2.4
157.04642	1.9
160.04552	16.5
160.07181	7.7
162.84023	1.3
169.05804	9.2
173.08763	2.7
177.09822	13.2
199.06772	35.1
214.07895	1.7
217.04398	1.8
217.07813	55.4
240.08316	2.4
242.11050	1.4
245.03534	1.8
255.09253	5.1
271.01700	1.4
273.10431	76.0
285.11603	2.2
315.12631	35.6
319.71118	1.4
333.01611	2.3
357.14755	2.9
374.94644	6.9
375.15854	100.0
394.31351	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	375.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18533	1.4
55.05519	2.8
65.36400	1.4
69.07065	2.5
69.65912	1.3
72.58844	1.4
83.08616	17.6
85.02902	1.7
89.75578	1.6
93.07037	1.6
111.08078	8.5
127.03897	8.0
130.06517	8.6
132.08112	12.8
142.06511	2.0
159.09171	59.9
160.07578	60.9
170.05977	13.0
187.08679	2.6
188.07088	2.8
196.07545	2.6
202.08621	100.0
219.11284	18.3
242.53780	1.6
279.14935	14.0
280.13345	2.3
297.15970	75.6
315.17023	10.7
325.15430	20.4
331.54797	2.1
343.16458	7.2
357.18103	56.5
375.19058	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	375.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82284	0.5
56.05044	7.8
59.19640	0.6
60.75190	0.6
66.94497	0.6
67.02874	0.8
67.05464	0.7
68.05041	1.5
70.53110	0.6
71.38293	0.7
72.04523	13.0
79.05475	2.6
81.07073	0.9
88.03983	3.2
91.05428	0.8
93.07056	0.9
95.08584	0.7
98.06081	0.8
109.10166	0.8
112.07560	0.8
118.05026	5.3
132.06564	1.3
139.11148	0.8
166.12302	4.0
167.10623	1.1
176.14343	0.8
177.08801	0.9
184.13329	16.2
194.15402	23.3
204.13904	3.1
208.13269	5.2
216.15933	7.2
222.13177	0.8
222.14877	51.3
226.14262	5.3
240.16019	4.7
254.17484	76.4
255.06525	0.8
256.06854	1.8
272.18768	0.9
293.67102	0.9
330.10568	4.2
375.21259	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	375.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06298	0.7
56.05017	1.0
60.04535	1.7
60.05651	6.9
70.06601	9.5
72.08154	6.4
72.58362	1.1
74.06074	1.3
74.33594	1.0
80.18808	1.0
83.06115	1.5
84.04491	6.4
84.08147	74.6
85.02915	1.0
86.09708	61.0
87.05595	3.7
88.03987	4.1
98.02412	1.0
101.07175	1.3
101.10779	2.5
102.05574	1.5
112.08735	2.3
115.08699	5.0
116.07099	11.0
129.06604	1.0
129.10252	40.8
130.05011	1.8
130.08655	25.3
133.06088	5.3
138.09085	1.4
141.10240	5.8
143.11806	1.6
147.07648	4.1
147.11290	21.7
155.11830	1.6
156.10194	5.2
156.11301	1.5
158.09219	6.3
173.12872	26.2
175.11903	17.6
183.11275	5.3
197.12849	1.9
197.16556	1.3
201.12344	35.8
215.13828	2.3
228.13548	1.8
256.39410	1.5
260.19711	7.3
357.17679	1.2
375.07043	3.7
375.12244	4.8
375.22803	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	2.6
55.01876	2.3
55.05521	15.7
57.03438	8.1
57.07082	2.3
57.34184	1.2
59.05014	1.3
61.02936	12.7
62.60199	1.2
67.05529	5.1
69.03432	27.3
69.07072	33.1
71.05005	10.8
73.02911	5.9
79.05493	2.4
81.03428	14.5
81.07059	27.4
83.01363	1.7
83.04975	9.6
83.08603	11.2
84.86148	1.3
85.02910	95.0
85.06539	19.8
87.04469	12.5
91.03972	6.5
93.07043	13.8
95.08610	39.6
97.02895	28.9
97.06518	6.1
97.10152	13.8
99.04458	15.8
99.08089	28.9
103.03955	3.2
107.08582	27.6
109.02886	17.7
109.10163	21.2
111.08095	2.3
111.11703	11.8
113.09639	11.9
115.03969	1.6
121.10137	43.7
122.06785	1.3
123.11683	9.9
125.09653	10.7
127.03907	37.5
135.10770	2.5
135.11693	26.7
137.13277	19.2
139.11166	8.1
145.04965	9.8
149.13261	2.2
151.14824	3.2
153.12759	11.7
170.02040	1.7
177.16377	80.8
195.15758	2.8
195.17418	37.8
195.19063	2.2
213.18477	100.0
235.91922	1.5
239.66681	1.4
285.04538	1.5
375.19269	2.1
375.23685	45.1
376.54593	1.4
376.59351	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	375.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
71.64343	0.5
78.73102	0.5
79.44929	0.5
95.08571	0.7
109.66701	0.6
333.31970	0.7
340.61752	0.6
375.25064	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	20.3
67.05499	23.6
67.22659	3.3
69.07048	17.2
74.17400	3.3
77.45114	3.7
79.05489	26.4
81.07072	62.5
83.08620	4.3
91.05486	42.6
93.07051	98.8
95.04961	46.4
95.08627	42.1
97.06526	9.1
102.90128	3.7
105.07039	90.9
107.08600	55.9
109.06527	9.4
109.10156	36.6
112.23450	4.2
117.07033	16.0
119.08578	100.0
121.06499	22.8
121.10139	88.5
123.08069	4.7
129.07001	9.5
130.07761	4.6
131.08572	65.0
133.10118	58.4
135.11696	15.6
142.07777	15.4
143.08524	32.1
144.09351	14.3
144.93217	4.1
145.10110	64.8
147.08067	4.7
147.11681	17.4
155.08577	7.3
156.09290	9.1
157.10130	51.7
158.10876	5.6
159.11700	40.6
161.09641	15.7
169.10141	24.1
171.11613	27.3
173.13293	17.3
175.11288	6.4
175.14899	7.7
179.08475	4.9
181.10068	7.8
183.11653	18.7
185.13292	5.9
187.14746	29.8
190.31306	4.2
193.10217	4.9
194.10812	4.7
195.11684	9.4
197.13173	7.7
199.14827	7.0
201.16318	6.5
205.99811	4.1
207.11673	4.9
209.13264	8.6
211.14754	5.5
213.16527	5.3
253.19554	4.3
265.07098	3.9
271.64554	4.0
319.20651	4.8
375.26797	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	375.289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	93.6
57.03440	14.8
57.07067	5.9
67.05498	15.1
69.07069	4.9
79.05477	11.5
81.07074	23.6
83.08625	51.5
84.71863	2.8
85.06555	10.3
91.05492	16.3
93.07050	33.6
95.04950	4.0
95.08605	27.6
97.06540	3.5
97.10176	2.7
105.07035	31.8
107.08583	22.5
109.06533	4.1
109.10149	6.2
117.07047	3.5
119.08571	38.7
121.06433	4.1
121.10143	27.2
123.08018	4.8
129.07051	3.2
129.09106	100.0
130.09448	45.5
131.08554	14.3
133.10130	23.7
135.11694	4.8
143.08560	9.8
145.10089	22.8
147.11703	16.1
149.09605	5.1
157.10095	14.0
159.11760	23.2
161.13235	6.2
162.76009	2.5
169.10065	2.8
171.11623	3.3
173.13243	10.5
173.23602	2.3
183.11728	4.0
185.13246	14.8
197.13206	4.3
201.16261	4.4
203.14360	11.9
210.46399	2.4
219.17447	38.4
221.15451	2.4
225.16245	4.4
239.17889	3.5
257.18997	18.6
275.20074	69.4
293.21130	10.4
303.22974	8.2
357.27893	14.9
375.29199	5.6
375.32855	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	375.289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72421	4.1
54.25073	5.2
55.01885	12.7
55.05516	31.2
57.03439	26.0
57.07079	5.6
67.05515	64.6
69.07066	38.6
79.05497	49.2
81.03405	11.1
81.07056	84.2
83.05007	8.9
83.08612	31.2
89.19579	5.0
91.05483	55.4
93.07056	52.9
95.04967	10.7
95.08600	86.1
97.06555	6.7
97.10155	25.2
101.77885	5.7
105.07042	61.9
107.04950	27.7
107.08589	47.6
109.06506	11.4
109.10135	27.7
110.07207	5.3
110.09816	5.5
111.08069	11.5
117.07029	23.6
119.08604	60.0
121.06524	7.4
121.10145	22.7
123.11729	13.1
125.09641	12.3
129.07010	6.5
131.08542	28.6
133.10135	48.8
135.08046	11.1
135.11688	24.0
137.09630	25.6
143.08543	7.0
145.06512	7.1
145.10121	33.5
147.11703	49.2
149.13245	6.6
157.10104	9.1
159.11748	28.0
161.13266	6.9
163.11143	8.2
163.14793	6.4
169.10046	7.8
173.13365	6.9
187.14833	10.4
203.12794	7.3
233.15367	21.6
303.23276	30.2
313.33023	30.9
325.25217	6.9
343.26221	54.1
357.28040	8.2
375.29041	100.0
375.36554	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	376.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14410	0.6
56.05033	0.9
60.05658	76.5
61.56095	0.6
68.73325	0.6
70.02953	1.2
70.06585	1.0
71.40891	0.5
72.08134	0.8
74.06080	3.1
75.68344	0.6
76.05110	0.8
84.08132	1.1
86.09686	2.3
91.05495	1.3
93.07040	0.9
95.08562	0.9
96.05584	0.9
97.02892	1.6
97.10143	0.9
103.00313	0.7
110.07146	1.7
110.68963	0.7
112.05047	0.8
118.05022	0.6
119.04877	1.2
120.08119	0.8
124.05054	1.5
125.09641	1.7
126.05425	0.8
133.10104	1.0
137.05968	1.7
138.06703	0.8
150.06606	0.8
151.07585	0.7
151.11142	1.0
153.09064	1.4
166.15794	0.7
178.12321	4.8
179.07101	0.7
179.10590	5.3
194.12845	3.3
196.13333	6.4
197.11607	0.8
202.13388	2.7
206.11681	6.5
207.10130	4.2
220.14381	5.1
222.12329	8.8
224.12822	4.4
225.11230	0.8
230.12881	7.7
238.15436	2.5
248.13896	17.0
248.16232	1.3
266.14999	20.4
299.14807	3.8
299.17926	0.8
312.19174	4.9
314.17004	1.4
322.17624	1.2
330.20132	0.8
332.17740	1.1
340.18671	21.1
353.66211	0.8
358.19632	19.7
376.20718	100.0
387.63016	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	376.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22207	0.6
57.03460	0.6
67.05511	0.9
69.07092	0.7
71.49438	0.5
73.08612	0.5
74.26675	0.4
80.10624	0.5
81.07065	6.2
84.51577	0.5
91.05484	0.9
92.00941	0.5
92.21026	1.2
92.21519	0.6
93.07040	1.2
95.08618	0.9
100.44364	0.6
103.05487	2.0
105.07018	2.8
107.08588	1.0
117.74695	0.7
119.08565	2.2
120.08102	100.0
121.10174	3.7
123.11699	2.1
131.04878	0.6
147.11688	7.1
149.05975	0.9
158.09271	2.1
165.12726	2.1
166.08633	16.6
203.14241	0.9
219.17418	17.5
284.20178	2.1
312.19577	12.4
330.20630	17.5
358.20117	9.2
376.21078	2.8
376.25232	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	376.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.3
56.97369	0.3
63.18344	0.2
67.05508	0.5
68.74427	0.2
69.07088	0.4
71.04986	0.3
79.05497	0.5
81.07050	4.0
91.05464	2.1
93.07058	1.0
95.08606	0.7
97.06513	0.4
103.05465	1.7
105.07044	1.7
107.08608	0.5
107.17712	0.3
119.08571	1.7
120.08103	100.0
121.10134	1.7
123.11697	2.1
130.06487	0.4
131.04895	1.7
133.10129	0.4
147.11682	4.3
149.05957	0.4
157.10088	0.4
165.12776	1.2
166.08617	7.7
175.11168	0.5
219.17427	5.2
274.27606	0.3
284.20084	2.0
294.18561	1.2
312.19556	19.3
330.20645	18.4
358.20114	9.1
376.21170	3.0
376.25171	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	376.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	2.1
57.50789	1.0
71.80724	1.1
75.10215	1.2
81.07080	1.6
87.04475	7.6
88.07631	5.4
107.08617	1.3
118.47310	1.1
131.00023	7.7
140.98479	8.8
142.99991	2.4
151.00536	1.6
153.02046	2.0
153.99229	2.2
155.00003	8.3
157.01604	5.9
165.02042	2.0
165.12766	1.5
167.00008	6.9
167.03642	4.4
169.01588	14.2
170.99576	2.3
171.03120	2.4
174.98976	15.7
176.15001	1.2
177.02110	2.2
179.03679	4.5
181.01593	2.4
182.86745	1.4
183.03177	5.1
185.01102	5.6
189.00589	20.3
189.02148	1.7
191.03683	6.0
193.05217	2.7
195.03136	4.6
197.01021	2.6
197.04688	4.7
199.02692	5.0
201.00600	7.0
203.02110	6.0
205.05238	2.0
209.01076	2.5
209.04675	1.4
211.02744	2.3
215.02046	2.6
219.06732	1.8
223.02631	1.8
225.04045	1.8
227.02090	1.6
237.04198	2.3
242.24738	11.0
247.12874	1.3
263.09628	1.1
308.89453	1.2
314.30484	2.3
317.17862	29.7
318.23840	1.7
319.18991	1.2
333.17413	1.5
335.15091	100.0
335.18958	87.9
353.19986	42.4
358.20404	5.1
371.20984	2.5
376.21539	5.6
376.30231	14.2
376.34662	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	376.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96576	2.2
57.33933	0.9
71.13771	1.0
78.27126	1.0
85.84407	1.1
102.97550	1.0
116.98486	1.7
131.00021	6.5
134.80592	1.3
140.98441	9.0
143.00011	5.6
145.01569	1.5
151.00549	2.6
155.00035	7.2
157.01595	5.4
158.38739	1.2
165.02065	1.8
165.12839	1.4
167.00003	5.8
167.03595	1.6
169.01591	12.7
170.99532	2.6
171.03125	5.7
174.98979	15.2
177.02046	5.3
179.03676	2.5
181.01624	2.4
183.03105	9.4
185.01039	8.0
189.00568	24.8
189.02129	2.5
191.03688	5.8
193.05165	2.6
194.99533	1.9
195.03177	1.6
197.01175	1.9
197.04776	2.1
199.02698	2.1
201.00571	4.9
203.02089	5.3
203.12732	1.7
209.01117	1.8
211.02724	1.8
213.00533	1.5
215.02158	7.4
217.68953	1.3
223.02531	1.7
235.02631	1.5
239.05733	1.6
317.17844	37.6
318.24310	1.6
326.85318	1.2
332.71658	1.1
333.17334	2.1
335.15094	91.7
335.18945	100.0
353.19968	33.1
358.20483	6.5
371.20837	1.6
376.24750	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	376.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
60.69928	0.4
63.79070	0.4
65.77734	0.4
67.18875	0.5
67.81142	0.5
69.49731	0.4
70.06572	0.5
70.56045	0.5
78.30400	0.5
84.40745	0.5
88.07623	0.7
89.02381	4.0
104.07075	0.6
107.00873	0.5
131.03404	8.2
141.69328	0.6
162.68530	0.5
203.14926	0.6
207.31377	0.6
219.82246	0.5
314.26758	0.9
314.70126	0.5
316.22372	0.9
328.25000	0.7
335.20575	2.8
353.21616	1.3
376.24469	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91906	0.5
84.81203	0.6
109.44181	0.5
110.78002	0.6
127.03928	1.3
128.04211	1.2
153.32269	0.6
178.76604	0.5
258.04700	0.6
268.43320	0.6
290.17249	12.2
376.24576	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17387	3.6
55.05523	43.2
57.03435	22.2
67.05514	66.7
69.03429	8.5
69.07072	100.0
71.04993	8.3
77.21054	3.9
79.05496	73.7
81.03417	28.0
81.07053	46.6
81.85762	4.2
83.04979	60.0
83.08614	32.2
85.06564	7.6
91.05476	25.7
93.07043	95.3
95.04970	18.1
95.08605	47.9
97.06550	7.7
97.10174	75.1
99.08075	10.4
102.91063	4.6
105.07036	18.8
107.04941	5.5
107.08608	45.8
108.13943	4.6
109.02930	4.3
109.06514	7.3
109.10160	87.8
111.08056	9.6
117.06994	6.6
119.08604	34.7
120.03421	4.8
121.10101	32.6
123.08077	25.0
125.09629	74.9
127.03875	5.0
131.08557	9.3
133.10121	7.7
135.08075	21.3
135.11681	15.3
137.09601	45.2
141.09177	6.7
143.08577	6.5
145.10143	10.6
147.08029	4.6
147.11700	7.5
149.13246	5.2
153.09030	6.1
155.10670	31.2
157.10159	5.4
159.11681	22.5
161.09648	4.8
163.11099	4.4
173.11714	49.7
177.12737	17.3
187.13277	35.3
203.12791	62.1
205.12262	7.5
221.15376	6.1
223.13342	34.0
233.15245	4.7
237.14827	26.8
255.15894	25.7
260.70187	4.4
268.38821	4.5
273.18481	33.2
291.19482	28.5
305.21088	38.0
308.81442	4.8
323.22113	54.5
339.71835	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	376.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	6.3
59.90640	2.6
63.82530	2.3
67.05498	23.8
69.07049	4.5
69.64049	2.5
71.04992	78.0
71.08622	17.4
72.84498	2.7
79.05500	11.3
79.47171	2.7
81.07059	34.0
83.08636	11.4
91.05461	6.3
93.07035	21.5
95.04972	4.9
95.08601	22.8
97.10164	16.7
99.08097	12.7
107.08584	13.3
109.10151	18.2
119.08531	5.5
125.09619	18.8
126.68392	2.7
131.08562	4.0
133.10109	12.7
135.11710	23.6
149.13240	11.1
159.11668	25.5
163.11218	4.5
163.91624	2.6
173.11665	4.8
177.12729	18.2
187.13268	15.5
203.12791	15.5
209.15332	11.2
241.17946	100.0
277.21585	18.0
291.23062	5.8
309.24222	26.4
376.29929	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	376.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47461	1.7
55.05520	3.3
56.32924	1.8
61.68448	1.7
64.68394	2.0
67.05179	3.3
67.05508	39.5
69.00477	1.9
69.07059	3.2
71.04996	41.2
71.08618	9.6
79.05483	2.3
81.07060	27.2
83.08614	10.0
93.07049	10.9
95.08590	11.1
97.10139	18.8
99.08075	5.1
103.75668	2.1
107.08600	5.3
109.10162	72.5
119.08578	5.1
119.32384	2.5
122.78097	2.4
123.11665	2.7
125.09646	21.0
135.08043	3.7
135.11713	2.8
137.09608	5.3
147.11720	2.1
155.10658	37.7
155.14331	16.3
159.18051	2.5
173.11707	49.1
187.13292	100.0
202.72456	2.4
203.12723	20.2
227.20831	2.3
265.83325	2.0
273.12680	2.4
277.21509	13.2
289.85980	2.7
291.23062	4.2
309.24283	15.8
326.94650	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	376.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31937	3.4
51.51874	3.9
55.05510	8.7
57.58770	4.1
59.60303	4.4
66.74963	4.4
67.05521	40.5
71.04987	100.0
71.08633	20.7
79.05501	8.3
81.07049	44.4
83.08641	17.6
85.06590	7.1
87.04530	4.8
87.17971	4.2
90.98046	4.1
91.05503	4.5
93.07039	27.2
95.08651	13.4
97.10162	38.5
99.08097	25.0
107.08611	24.0
109.10159	37.3
114.49545	4.5
117.07008	5.5
125.09629	36.5
133.10136	8.5
135.08075	4.5
135.11696	29.3
145.10063	5.1
149.13251	8.7
151.11096	7.3
155.10704	16.6
155.14304	8.1
158.18791	5.4
159.11687	18.0
173.11775	34.0
177.12724	6.2
187.13199	36.7
203.12793	30.1
241.17944	82.3
242.42145	4.8
266.47504	5.3
277.21649	24.4
285.71249	4.9
309.24307	24.6
314.82858	4.5
376.24374	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	376.3181
Annotation	Docosatetraenoyl Ethanolamide
Peak:m/z	Relative Intensity
58.22081	0.7
58.93976	0.7
66.75134	0.8
75.28992	0.8
79.19090	0.7
121.06517	1.4
124.51403	1.0
125.97576	0.8
201.43297	0.9
220.83351	0.8
231.51367	0.9
256.26163	1.4
274.82800	0.9
376.31876	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.319
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48058	0.7
53.72978	0.7
55.18264	0.8
57.07072	4.1
58.45964	0.8
71.08627	3.9
81.07058	1.3
85.10171	0.9
86.17989	0.9
91.85298	0.9
93.07057	3.9
95.08605	1.6
103.05483	1.1
121.06512	100.0
122.70979	0.9
131.48029	0.9
138.09155	10.4
172.98985	1.0
181.38109	1.0
256.26312	1.1
335.16858	2.1
356.03412	1.0
376.32022	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	377.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.6
60.41562	0.8
60.52884	0.9
67.05503	1.2
68.05045	1.1
69.03428	6.6
69.07079	7.5
70.06597	4.5
73.89571	0.9
75.04488	1.0
79.21776	1.0
81.03409	1.0
84.08114	1.3
86.09675	1.7
88.04060	1.0
94.06567	11.2
95.04956	4.2
99.04434	4.4
110.06033	5.5
112.07624	4.0
116.07080	5.9
117.05440	1.4
120.08104	7.5
122.06028	60.3
123.04425	1.3
124.07566	1.8
130.06567	1.9
136.03882	2.0
136.07513	1.6
138.05469	3.9
140.07069	100.0
153.83302	1.2
154.04980	49.7
154.08630	48.2
172.08696	4.3
175.08688	1.9
178.04999	16.4
190.08574	2.4
192.02634	1.1
206.04482	36.0
207.11235	1.4
208.09718	2.3
211.73770	1.0
212.07198	1.4
214.89951	1.1
216.07790	2.2
222.03979	5.8
222.11279	1.9
223.04657	1.3
224.05540	6.3
229.09689	1.9
232.09727	1.2
234.12361	4.0
238.07104	1.9
243.08762	40.5
257.09079	2.4
262.11795	1.9
272.09195	4.7
275.10208	12.2
291.09723	2.0
293.11331	12.5
299.10272	1.3
300.08664	4.2
311.46054	1.1
317.11255	2.2
318.09641	4.2
320.66690	1.1
327.09702	1.9
345.10797	65.9
359.12442	1.4
363.11871	2.1
377.13770	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	377.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.7
60.36670	0.6
67.05501	3.2
69.03424	3.5
69.07073	5.7
70.06586	4.3
70.44631	0.8
71.63785	0.7
72.08137	0.9
77.64128	0.7
80.04994	1.2
81.03444	1.0
82.06590	0.7
84.08146	1.4
85.02907	1.0
86.09715	11.6
87.04439	0.8
94.06551	7.1
95.04964	1.7
96.04504	6.5
97.02901	1.0
97.10213	0.8
98.09698	0.9
108.04510	1.0
110.06034	7.3
112.07610	1.8
114.05482	0.8
114.43825	0.7
115.85507	0.7
116.07127	1.2
120.08086	5.1
122.02482	0.9
122.06031	35.5
123.04490	1.5
124.07593	1.8
127.03895	0.8
128.10757	0.8
129.10211	1.0
130.06500	0.8
136.03967	3.1
136.07599	5.2
138.05476	5.5
138.12770	1.2
140.07076	54.5
152.07010	0.8
154.05000	77.0
154.08633	100.0
164.10689	13.4
166.12289	5.0
175.08710	1.3
178.04993	30.7
182.04523	0.9
182.11760	4.4
190.08588	5.6
192.02974	1.1
196.06047	0.8
200.12834	17.7
202.08466	0.8
204.10274	1.5
206.04483	42.3
207.11296	5.2
208.09750	1.2
210.04080	0.9
210.07666	1.4
210.11256	1.1
215.03668	1.6
217.09837	1.3
224.05542	11.7
229.09683	4.2
230.08206	3.7
231.11206	1.0
234.12486	0.9
238.07050	10.5
243.08774	11.9
245.09209	1.6
247.10603	2.8
249.12355	1.1
255.16933	0.9
257.04858	1.2
257.09158	6.0
258.07574	1.4
262.11856	1.0
265.53729	0.8
271.10709	0.8
275.10236	19.0
277.11758	1.0
291.09680	1.4
293.11316	24.6
299.10309	1.9
300.08783	1.1
317.11295	4.5
323.19647	24.1
327.09525	1.1
341.20782	6.4
345.10806	44.3
345.14975	1.8
359.12592	1.3
359.21826	3.9
377.09354	2.7
377.13544	58.6
377.23157	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	377.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.5
54.09510	0.6
57.03440	8.4
61.02926	2.5
65.07159	0.5
69.03436	10.2
71.01357	1.5
71.04990	3.4
73.02920	3.1
75.04452	2.1
81.03418	3.1
82.57715	0.6
82.91119	0.6
84.27597	0.5
99.04473	5.7
102.78838	0.7
117.05482	0.7
120.08054	0.6
140.83763	0.6
159.09138	0.7
172.08646	9.1
198.06644	0.8
200.08206	4.1
216.07614	8.1
243.08754	84.5
244.07098	0.9
359.13474	3.8
362.09750	0.7
377.14554	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.5
54.09510	0.6
57.03440	8.4
61.02926	2.5
65.07159	0.5
69.03436	10.2
71.01357	1.5
71.04990	3.4
73.02920	3.1
75.04452	2.1
81.03418	3.1
82.57715	0.6
82.91119	0.6
84.27597	0.5
99.04473	5.7
102.78838	0.7
117.05482	0.7
120.08054	0.6
140.83763	0.6
159.09138	0.7
172.08646	9.1
198.06644	0.8
200.08206	4.1
216.07614	8.1
243.08754	84.5
244.07098	0.9
359.13474	3.8
362.09750	0.7
377.14554	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86333	0.5
54.52026	0.6
55.05516	4.1
56.02691	0.6
61.05383	0.8
67.55166	0.7
67.59338	0.7
69.03461	1.0
69.07065	5.3
79.55087	0.6
83.08134	1.0
83.08624	22.2
93.07019	0.9
94.06573	1.1
95.08591	1.0
101.01729	12.2
103.01303	24.2
111.08096	7.6
120.08079	0.8
127.03944	1.0
130.06528	30.9
132.04440	5.3
132.08078	3.1
146.06020	1.1
146.66521	0.8
148.07593	0.9
152.05655	3.7
157.07603	100.0
158.06009	31.5
159.09181	21.9
160.09395	0.9
175.08646	73.7
185.07095	13.8
186.05522	6.6
188.07074	4.7
203.08151	71.1
204.06596	1.4
205.09764	1.1
221.09209	19.1
272.06723	1.1
289.09256	3.2
297.16028	4.9
313.15466	4.5
315.17023	5.6
323.13879	1.0
329.49973	0.9
331.16537	6.4
335.10007	5.9
341.14960	5.2
359.15979	31.8
377.11115	18.8
377.16846	4.7
377.20749	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	377.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32903	1.2
60.02111	1.2
62.07812	1.0
67.05493	7.1
69.07076	2.2
81.07040	1.9
85.02925	1.5
92.10558	1.4
92.20948	2.6
93.02644	1.3
95.08612	25.5
98.99724	1.4
109.02873	1.7
110.09637	1.6
122.02381	16.7
124.07578	24.8
127.03914	3.2
136.07559	1.6
138.09158	7.5
148.03941	5.3
150.05434	1.8
150.09175	1.6
152.03464	6.3
152.07089	5.7
154.04979	9.1
162.05554	1.5
163.06081	1.7
164.07027	1.9
164.10703	57.4
176.03447	2.0
178.05164	1.8
180.06581	3.2
186.07660	18.8
190.04977	13.1
192.10184	100.0
196.83092	1.2
206.04535	2.0
210.07620	7.5
212.09167	2.9
215.11856	2.3
216.10210	1.4
220.06065	1.3
222.07558	1.9
228.34586	1.3
235.19894	1.3
238.07130	2.3
239.11801	8.0
241.13409	1.5
254.10297	1.8
257.12762	3.0
263.32227	1.4
267.11359	14.7
268.09702	5.9
268.62555	1.3
285.12332	11.7
295.10800	11.2
296.09192	10.6
299.13895	11.3
300.12247	2.0
313.11972	5.1
314.10382	10.5
314.39987	1.3
327.13336	5.7
328.11807	19.1
331.16452	7.7
345.14410	14.3
355.78952	1.4
359.15985	32.4
377.17081	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	377.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42631	1.1
55.05517	1.6
55.89149	1.2
67.05507	5.6
69.07079	27.6
69.97174	1.3
74.08332	1.0
76.96747	1.3
81.07060	3.4
83.47828	1.3
92.21013	2.4
93.07076	1.8
95.04958	3.0
95.08612	25.7
96.08152	1.5
97.06533	1.6
97.59216	1.3
105.07055	1.8
108.08088	2.2
109.06514	7.6
109.07195	1.8
109.10212	1.6
116.67678	1.3
120.04458	1.5
121.10105	1.6
122.02407	15.4
122.06001	1.4
123.08098	1.6
124.07608	23.7
136.07581	2.2
138.09152	8.9
140.07074	93.6
146.02396	2.4
146.06024	8.7
148.03949	2.1
148.07552	2.1
150.05476	2.7
152.03386	6.1
152.07101	6.7
154.04996	7.9
161.13226	1.8
162.05516	3.2
164.10713	56.2
172.03973	2.3
174.05499	25.4
178.05057	3.5
178.08603	8.2
179.14359	2.1
180.06609	3.4
186.07619	27.4
190.04974	21.4
192.06526	2.2
192.08429	2.7
192.10205	73.5
193.12350	1.4
197.15372	2.1
204.06558	35.1
206.08115	39.1
206.09915	2.8
210.07600	8.0
212.10725	5.6
215.11748	2.3
216.14714	1.5
220.06120	2.6
222.07541	1.7
238.07324	2.2
239.11737	2.7
240.10220	12.5
241.11079	2.0
257.12836	1.8
267.11313	16.6
268.09604	14.2
271.14349	1.5
272.12906	1.8
285.12354	11.5
295.10681	10.3
296.09128	12.1
299.13916	11.0
300.12311	43.9
313.11819	6.6
314.10187	2.5
317.15042	3.1
327.13455	8.4
328.11816	17.4
331.12848	5.2
331.16519	2.8
332.51825	1.6
345.14429	100.0
359.16031	21.6
377.09912	2.7
377.17108	71.0
377.25018	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	377.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78839	0.7
60.43693	0.7
69.03413	1.1
69.07059	3.7
83.65585	0.7
94.06581	4.3
95.04969	0.8
107.08596	0.9
108.08188	1.0
109.61046	0.7
112.07584	1.0
122.06023	20.2
124.07663	1.2
127.03956	1.4
130.10445	0.7
140.07076	32.7
146.06000	7.7
162.04245	0.9
162.05475	8.6
172.03925	28.3
174.05510	6.4
178.08629	0.9
190.04871	0.9
192.06644	0.9
204.06560	100.0
205.07297	5.0
206.08130	24.0
212.27827	0.8
218.42221	0.7
227.98669	0.7
240.25165	0.7
265.99478	0.7
313.12036	0.7
327.13568	0.8
331.12848	4.2
345.14432	38.1
363.15152	2.7
364.38712	0.8
377.12964	1.2
377.25061	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	377.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25152	0.2
59.39202	0.3
61.44670	0.3
70.06602	0.4
94.52564	0.2
113.88792	0.2
215.12555	9.2
215.14400	0.5
377.17828	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25152	0.2
59.39202	0.3
61.44670	0.3
70.06602	0.4
94.52564	0.2
113.88792	0.2
215.12555	9.2
215.14400	0.5
377.17828	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00953	0.5
55.75756	0.4
56.60991	0.5
56.77682	0.5
56.88784	0.4
57.03432	1.2
59.04980	0.4
60.04548	0.4
61.42815	0.5
69.03432	3.3
70.06593	100.0
71.04988	0.5
72.08162	0.9
81.03392	0.9
85.02950	0.6
86.09702	3.3
87.05601	4.8
99.04461	1.1
106.63799	0.5
115.05046	3.1
116.07086	5.5
120.08103	11.7
127.08672	12.1
130.06506	3.2
132.95882	0.8
154.88902	0.5
155.08144	4.0
159.09096	0.6
166.08571	0.8
172.08707	3.0
175.08656	2.6
186.96918	0.9
189.10246	0.6
191.29561	0.6
200.08177	0.9
212.10315	3.2
216.07628	2.9
217.13359	2.2
234.12407	3.5
234.98979	2.5
243.08754	25.1
262.11917	2.9
263.13885	35.3
302.14859	1.0
309.06235	1.0
320.16092	0.7
331.17709	2.6
359.17380	1.1
360.15588	0.6
377.14346	25.0
377.18320	6.0
378.69638	0.6
384.50095	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.0
55.05521	1.7
56.05033	7.4
58.04088	1.9
60.05639	1.3
70.06590	1.6
72.04224	1.2
72.04525	20.0
74.06097	11.9
76.05136	100.0
84.08160	1.5
87.04466	18.1
98.09704	1.6
101.88423	1.1
102.05532	7.3
118.05026	49.8
120.06564	6.9
125.09632	1.4
131.09262	1.6
135.07747	1.4
157.12265	29.7
159.08794	1.7
160.07178	60.3
164.10657	1.9
171.20749	1.3
177.09830	83.2
177.11363	3.0
200.12819	10.4
306.03387	1.6
323.19608	5.4
377.20221	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	377.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64653	0.5
55.05516	2.9
56.05051	8.5
60.04522	1.5
60.05652	2.9
67.04225	0.6
67.05507	1.3
68.05041	6.6
69.03436	13.1
69.07071	1.0
70.02940	0.5
70.06595	1.5
72.04505	5.1
74.02451	2.7
74.06088	6.9
76.05134	11.4
81.03444	0.7
81.07070	1.2
83.08623	6.2
84.04516	2.6
84.08162	0.9
85.04040	0.6
86.06079	1.2
86.09713	2.9
93.07088	0.6
95.08602	4.4
96.05620	36.1
96.08219	0.6
97.02893	1.0
97.04063	0.7
98.07185	5.4
99.05589	0.8
99.08029	0.9
99.97240	0.6
102.05545	5.0
107.08629	0.7
110.07162	1.5
110.75198	0.6
112.05138	0.7
114.06662	1.4
116.07310	0.5
116.08203	3.9
118.05022	6.6
120.06576	4.1
120.08074	0.9
124.05108	1.2
126.06633	7.6
128.08200	17.2
130.06535	1.0
135.07687	2.7
138.06604	0.8
144.06703	0.7
144.07722	3.5
156.07675	0.7
156.11372	1.0
157.07620	2.6
158.06036	1.3
159.09108	0.9
160.07150	6.2
169.12250	1.3
175.08759	1.4
175.69240	0.7
177.09853	6.8
183.13768	0.7
184.14594	1.2
203.08156	1.0
210.08746	0.9
219.06558	1.3
227.11467	1.3
228.17213	1.2
244.16557	21.9
276.19330	2.3
285.19312	0.7
300.19223	1.2
314.27942	0.7
345.17151	1.2
345.21335	24.2
359.22391	0.8
366.86835	0.7
377.23972	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	1.7
56.05037	6.1
58.02963	1.0
60.04515	1.3
67.05520	1.2
68.05019	5.5
69.03431	16.5
70.06602	1.2
72.04532	7.0
74.02444	4.8
74.06070	8.9
76.05132	18.4
81.07055	1.5
83.08625	6.8
84.04520	1.8
85.04034	2.3
86.06057	2.2
86.09693	2.7
92.21484	1.2
93.07042	1.5
95.04958	1.7
95.67149	1.1
96.05614	22.1
98.07203	1.4
102.05556	2.6
111.05585	2.0
112.05049	3.3
114.06644	12.4
116.07079	2.6
116.08223	4.5
118.04985	10.6
120.06577	6.8
120.08087	1.7
121.08502	1.1
126.06657	7.5
128.08157	9.0
135.07712	2.4
144.07707	7.0
150.06631	1.5
159.08705	1.3
160.07166	20.0
170.88152	1.2
177.09825	21.1
184.14449	1.5
198.08789	5.0
228.17056	2.2
244.16559	41.9
252.17023	2.0
276.19247	1.9
300.19022	1.9
328.18683	11.2
345.21335	67.7
377.23987	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	377.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.5
56.05049	10.3
60.04530	1.8
60.05655	5.0
62.91315	0.9
64.39455	0.9
67.05527	2.0
67.27325	1.1
68.05036	5.3
69.03432	17.9
69.07079	1.2
70.06600	6.2
72.04523	6.3
72.08155	2.2
74.02457	1.8
74.06080	11.5
76.05127	17.9
81.07073	1.8
83.08628	5.6
84.04517	5.1
84.08140	1.6
86.09712	1.9
95.08624	6.5
96.05617	48.8
98.07199	7.3
99.05586	1.3
99.07964	1.3
102.05556	6.9
103.68291	1.0
109.06428	1.2
110.07201	1.8
112.05089	1.3
114.06714	1.3
116.08245	2.3
118.05009	9.7
120.06573	7.1
120.08118	2.5
126.06647	13.7
128.08200	23.4
131.36476	1.0
134.07024	1.3
135.07666	4.6
144.07716	5.1
160.07133	7.4
164.99994	6.2
169.12282	2.3
177.09811	11.0
178.08353	1.1
190.13521	1.9
198.73503	1.0
202.08575	1.2
202.14439	1.1
210.08818	2.0
220.74075	1.3
228.17079	1.3
244.16559	34.9
276.19339	4.2
280.77121	1.2
300.19092	1.5
341.19150	1.5
344.30060	1.2
345.12036	1.2
345.17181	1.8
345.21344	47.9
377.24042	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95517	0.7
54.04567	0.6
55.05504	0.8
55.93573	0.8
62.34015	0.6
67.05515	3.0
68.91717	0.7
69.07075	0.7
76.64365	0.7
79.05496	0.9
81.07067	6.0
83.90339	0.7
87.69000	0.7
91.05490	1.2
93.07044	6.8
95.08604	15.3
97.27911	0.7
105.07036	7.3
107.08606	9.0
109.10159	5.6
112.26830	0.7
117.07015	1.7
119.08585	21.4
121.10136	4.6
123.11693	3.9
128.02470	0.8
129.06990	0.7
131.08545	5.4
133.10126	11.7
135.11710	4.5
135.81529	0.8
143.08597	3.4
145.10121	16.3
147.11688	14.0
149.13283	3.2
154.61493	0.7
157.10101	5.6
159.11670	10.6
161.09663	1.3
161.13271	11.4
163.14815	1.5
169.10121	1.3
171.11691	6.4
173.09673	3.0
173.13281	11.1
175.11169	24.6
175.14760	6.3
183.11656	3.4
185.09529	0.7
185.13225	7.5
187.11165	1.2
187.14827	31.6
189.12766	3.9
189.16373	1.8
195.11732	1.0
195.23332	0.8
197.13283	3.9
198.14012	0.9
199.14819	3.5
201.12801	1.2
201.16364	5.1
203.14473	1.4
207.11612	0.7
209.13170	1.3
211.14839	3.3
213.16359	1.7
215.14363	1.7
217.15935	1.6
223.14769	1.0
225.16400	3.0
226.57675	0.8
227.14394	0.9
227.17857	1.6
229.15816	1.5
237.16266	1.2
239.18118	1.0
241.15930	5.1
241.19458	1.1
253.19508	1.4
255.17479	1.5
263.17886	1.1
267.17499	1.3
279.21146	0.9
289.19382	0.9
291.21011	1.0
307.20691	0.9
319.24377	1.2
335.27283	1.4
349.28949	4.1
359.27325	8.8
377.28403	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	377.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05539	1.0
57.24445	1.0
60.80725	0.9
61.90791	0.7
67.05495	1.7
69.07086	1.4
71.92229	1.0
77.05434	0.8
81.07056	5.3
91.05476	1.8
93.07026	4.6
95.08616	12.8
105.07032	8.3
106.47060	1.0
107.08595	6.5
109.10162	2.3
117.07008	1.9
119.08574	17.2
121.10133	6.2
123.11727	1.2
130.01382	0.9
131.08580	5.9
133.10098	9.4
135.11681	5.3
145.10109	13.3
147.11682	19.1
149.13251	3.8
157.10106	2.1
159.07964	1.0
159.11742	7.1
161.13281	5.1
163.11142	1.2
169.10104	1.6
171.11696	5.3
173.09636	4.3
173.13290	9.0
175.11182	18.7
175.14783	3.8
182.40382	1.1
183.11633	2.3
185.13277	6.5
187.11240	1.8
187.14833	17.2
189.12708	5.0
189.16426	1.2
197.13292	1.7
199.14778	3.5
201.12732	3.7
201.16406	4.8
209.13232	1.8
211.14832	1.9
213.04092	1.0
213.16434	3.9
215.18016	1.1
217.15915	1.2
223.14865	1.1
225.16402	1.3
227.14304	1.3
227.17949	1.8
229.15875	2.2
239.18021	2.1
241.15938	2.2
251.17979	1.3
263.18134	1.3
321.22177	1.2
349.29041	1.8
359.27304	5.4
377.28375	100.0
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
56.02766	0.5
58.81935	0.4
58.89074	0.4
107.60297	0.6
110.78761	0.5
126.25126	0.5
161.05951	2.2
206.01259	0.5
215.15338	0.5
226.25929	0.7
228.61903	0.7
236.37149	0.6
275.06989	0.6
292.09708	2.6
304.09592	1.0
316.09637	2.8
317.10324	6.1
318.11313	3.3
320.05429	1.0
320.09183	21.5
321.09882	2.4
330.07535	1.2
332.09256	2.8
334.10770	4.6
335.11591	3.0
344.09265	2.3
345.09805	3.8
346.10748	7.7
348.08640	33.6
349.09827	0.9
350.10202	2.2
362.10385	4.9
363.10950	13.5
363.15094	0.9
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	378.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
62.73103	0.3
64.15054	0.3
92.21263	0.9
135.04436	0.6
161.05948	0.7
163.03146	0.4
206.21762	0.4
236.66985	0.4
275.07010	0.4
292.09714	1.8
302.08185	0.6
303.06497	0.6
304.09656	0.9
306.07532	1.5
306.10846	0.4
316.09836	2.6
317.10513	7.9
318.07843	0.6
318.11203	3.6
320.09183	21.4
321.09964	2.5
323.07794	0.4
330.07672	1.8
332.09256	2.3
334.07303	0.5
334.10815	5.5
335.11612	4.2
343.17563	0.7
344.09076	2.7
345.09967	3.1
346.10696	8.2
348.08658	34.6
349.09598	0.5
350.10184	2.9
362.10266	4.5
363.11014	14.4
378.13354	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	378.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	0.6
58.58209	0.5
59.04971	0.5
67.05488	0.6
69.03404	0.7
69.30207	0.5
71.10299	0.6
81.03430	0.7
83.04973	0.7
85.02888	0.6
87.04456	0.7
98.97563	2.3
115.30874	0.6
116.98624	1.0
143.00168	1.1
185.01201	2.4
201.00800	0.6
203.02319	2.7
219.01799	0.7
220.71623	0.6
223.52487	0.5
285.07559	29.7
286.07675	0.7
292.09634	2.6
292.22687	1.0
303.06754	0.6
304.09854	0.7
306.07672	1.1
306.11188	0.9
316.09845	2.1
317.10547	6.4
318.11337	1.2
320.09152	18.0
321.09900	2.4
332.09128	1.2
334.10785	3.1
335.11594	2.6
337.07587	3.4
344.09073	1.1
345.09872	3.4
346.07196	0.8
346.11316	4.4
348.08640	33.2
350.10547	2.1
355.08664	4.6
359.04367	6.2
362.10257	5.2
363.10925	13.1
377.05301	0.9
378.13339	100.0
378.26089	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	378.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
62.73103	0.3
64.15054	0.3
92.21263	0.9
135.04436	0.6
161.05948	0.7
163.03146	0.4
206.21762	0.4
236.66985	0.4
275.07010	0.4
292.09714	1.8
302.08185	0.6
303.06497	0.6
304.09656	0.9
306.07532	1.5
306.10846	0.4
316.09836	2.6
317.10513	7.9
318.07843	0.6
318.11203	3.6
320.09183	21.4
321.09964	2.5
323.07794	0.4
330.07672	1.8
332.09256	2.3
334.07303	0.5
334.10815	5.5
335.11612	4.2
343.17563	0.7
344.09076	2.7
345.09967	3.1
346.10696	8.2
348.08658	34.6
349.09598	0.5
350.10184	2.9
362.10266	4.5
363.11014	14.4
378.13354	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	378.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	1.4
56.05031	1.2
60.11388	1.0
61.02932	1.4
68.10547	1.1
69.03426	2.3
70.06575	1.0
71.38422	1.0
72.08150	4.8
74.02457	1.5
74.06086	1.1
81.03416	1.4
84.04458	1.1
84.08138	5.5
85.02911	19.7
86.09699	8.1
87.04469	1.2
91.03949	1.6
95.04971	11.4
97.02877	5.3
109.02882	1.7
110.07167	6.0
112.05156	1.5
123.04431	23.4
127.03899	2.3
129.10214	1.6
137.05968	2.0
140.04694	91.2
145.04951	2.1
145.77071	1.1
155.07034	62.3
155.22253	1.1
166.05327	4.5
167.03389	2.5
173.08115	1.6
180.08647	9.6
181.04958	18.4
199.06020	100.0
290.90329	1.1
378.13632	10.0
378.20502	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	378.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38008	1.1
56.05035	3.6
57.03440	2.4
61.02908	6.3
61.63086	1.5
63.51743	1.4
69.03415	12.9
70.06577	6.4
71.04983	2.2
72.04501	2.1
72.08151	8.7
73.02917	2.6
75.30403	1.3
76.05141	3.1
81.03432	3.1
84.04510	2.5
84.08140	7.8
85.02909	81.7
86.09711	12.0
87.04464	2.4
91.03923	2.5
97.02885	23.0
99.04435	2.5
107.04984	5.9
109.02876	6.0
110.07137	2.8
111.04471	1.8
111.78206	1.7
127.03944	20.2
129.10239	3.6
135.04401	24.0
136.06189	9.1
139.03937	21.9
145.04968	16.5
152.05667	8.3
153.05466	100.0
155.11818	2.0
160.07153	1.9
163.05927	2.4
166.05400	5.5
177.09798	3.0
180.08640	11.1
181.04938	28.2
199.06007	49.2
201.12389	1.5
216.08717	13.6
231.08038	2.6
378.13950	27.1
378.20770	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	378.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46410	0.3
56.05037	0.8
59.44244	0.4
60.05640	0.4
70.06595	100.0
72.08163	0.7
74.06080	2.3
76.05141	1.0
81.03415	0.6
84.08139	1.1
86.09717	3.3
88.03996	5.8
94.02235	0.4
98.06090	0.5
107.01925	0.4
110.02391	0.6
110.07181	0.5
114.06698	0.4
116.07059	0.7
120.08110	13.8
125.07121	7.5
141.10278	0.5
150.05608	0.5
155.11728	0.7
160.07191	0.7
166.08640	6.2
167.08159	3.0
171.07703	0.5
184.96335	0.5
185.09209	18.8
195.07619	0.5
196.06013	2.7
201.12360	0.7
204.06496	0.9
213.08739	12.8
219.11565	1.8
227.11798	2.7
235.12413	0.5
247.11066	1.8
255.11192	1.7
263.13882	10.8
301.11807	5.3
303.79031	0.4
313.47208	0.4
343.12970	2.9
360.15323	3.6
378.16510	27.4
378.21335	2.2
378.23389	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	378.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81804	0.8
55.05519	2.1
56.05034	1.9
62.43713	1.0
69.91217	1.2
70.06596	62.7
72.04515	1.4
72.08157	46.8
74.06065	1.9
76.05125	5.3
78.91453	1.1
84.04514	3.5
84.08144	5.7
86.09715	7.3
91.05495	1.1
102.05540	1.6
104.05328	2.4
106.95325	1.1
110.07141	4.2
116.07092	70.4
119.04929	1.5
120.08102	4.4
129.10255	2.0
136.07582	100.0
160.07240	3.9
169.13326	9.9
172.11581	1.5
177.09839	6.5
178.10147	4.2
197.12863	6.9
217.13713	4.0
225.62611	1.1
235.14380	24.2
245.13232	1.6
263.13907	22.3
279.13385	4.1
378.20380	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	378.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27932	1.1
55.01892	1.4
55.05518	2.1
57.21400	0.8
61.58857	1.0
66.18299	0.9
67.05519	9.0
69.07047	1.7
70.06603	4.6
72.37973	1.2
79.05486	5.3
81.03437	5.0
81.07067	13.4
85.06509	2.5
91.05482	1.7
93.07053	10.9
95.04964	1.6
95.08594	8.9
96.08136	2.7
97.06524	4.5
99.20257	1.2
105.07036	2.5
107.04951	8.1
107.08598	1.9
109.06517	1.1
109.10130	1.7
111.08089	1.5
117.07049	1.6
118.04544	1.0
119.05011	1.2
120.08019	1.1
121.10150	4.3
122.00887	1.0
122.06046	1.6
123.08064	6.1
130.94147	1.2
131.08556	1.7
133.10120	2.2
135.11688	7.1
140.07063	17.5
142.08636	7.1
143.08621	1.8
145.06520	1.9
145.10123	1.2
147.41788	1.2
149.13217	8.3
150.06628	1.9
151.11108	1.1
156.71176	1.3
159.11646	8.7
168.06566	20.8
169.10141	1.1
177.12762	7.1
187.11197	6.7
278.20181	1.2
300.19617	10.5
318.20605	11.6
328.19760	1.3
360.22705	2.5
378.22818	100.0
378.30273	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	378.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05528	17.0
55.05738	1.8
56.08849	2.2
57.07080	3.8
58.06588	2.4
62.57370	1.8
63.46698	2.3
67.05177	4.1
67.05510	64.1
69.07075	21.7
71.08620	2.4
76.12878	2.0
78.60004	2.3
79.05493	10.3
80.58787	2.2
81.06618	4.7
81.07065	91.5
83.08619	17.7
86.18252	2.5
91.05449	2.2
93.07052	31.1
93.46455	2.2
95.08605	82.3
97.10163	11.1
97.59401	2.0
105.07020	3.9
107.08585	17.5
109.10152	46.8
109.59435	2.7
111.11722	2.4
119.08661	3.2
119.42883	2.4
121.10133	26.3
123.11693	23.4
126.58665	2.5
127.30284	2.3
131.08536	2.9
133.10173	3.7
135.11714	15.8
137.13235	11.9
147.11682	3.4
147.71838	2.3
149.13245	12.6
151.14781	3.2
159.11736	3.1
161.13245	2.6
163.14813	4.0
173.13245	9.1
177.16319	4.3
180.10129	3.9
236.16499	3.2
242.24669	9.1
261.22186	3.4
279.23181	28.7
308.18512	5.7
309.20468	2.3
337.20193	4.2
361.20419	100.0
378.22379	64.9
378.26511	31.8
378.32062	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	378.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15143	1.4
52.60518	1.2
77.38188	1.4
81.07047	4.0
98.97598	27.0
107.08600	2.4
116.98633	27.5
134.99661	12.0
155.71275	1.7
192.62556	1.8
316.19589	2.9
318.20990	31.4
334.20602	16.9
336.22101	100.0
361.31042	2.9
378.23126	92.0
378.33728	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	378.321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95562	0.5
51.47833	0.5
56.05037	1.3
56.48304	0.6
56.92490	0.5
57.07082	2.6
58.06604	6.5
61.42923	0.6
62.47015	0.6
67.05521	0.6
68.05043	0.8
71.08629	0.6
72.08162	2.4
73.02915	0.7
75.04499	0.6
86.06059	2.8
87.04483	1.2
91.89573	0.5
100.07611	1.2
102.09145	0.8
104.32523	0.7
118.08644	3.8
132.10201	24.6
144.50607	0.6
148.09689	2.5
157.12430	0.8
206.13837	2.6
210.13426	2.2
243.76881	0.7
285.97049	0.7
286.27393	71.0
292.09671	0.8
337.22107	1.0
355.23154	1.0
360.31143	1.5
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	378.321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89551	0.7
55.98803	0.6
56.05041	1.3
57.07083	1.1
58.06613	5.8
62.68130	0.7
70.06595	0.8
72.08150	1.2
72.74284	0.7
73.02932	1.0
85.10220	0.6
86.06056	5.4
87.04476	1.2
89.06039	0.9
89.63058	1.0
92.21004	0.9
100.07614	1.4
118.08654	4.4
130.08641	1.1
132.10211	27.9
139.74277	0.6
147.09969	0.8
148.09700	2.5
198.22166	0.9
201.10991	0.8
206.13860	2.7
206.98535	0.8
210.13290	1.2
211.07069	0.7
218.47946	0.9
244.41531	0.7
286.27399	69.3
298.27374	1.3
360.31204	1.3
378.32135	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	379.1
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70020	0.6
63.27441	0.6
65.28483	0.6
70.06586	4.2
72.08160	1.8
84.08153	2.8
86.09689	3.5
97.02943	0.6
104.27614	0.9
119.04919	3.1
120.08072	1.1
124.87170	0.7
129.10249	1.8
144.08064	3.0
147.04408	19.5
163.83583	0.8
169.02681	0.9
172.06190	0.9
190.74966	0.7
215.05287	1.0
233.06325	18.8
240.11507	0.9
285.07208	1.2
361.08780	1.7
379.09958	100.0
379.20056	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	379.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39143	0.2
55.69059	0.3
56.05055	0.3
57.33138	0.3
62.13853	0.2
66.76039	0.3
70.06586	1.2
72.08132	1.9
84.08143	0.6
86.09690	1.8
87.05576	0.3
91.05482	0.4
98.02411	0.4
100.17009	0.3
114.09165	1.9
116.07077	0.5
120.07325	0.4
120.08105	6.5
129.10255	0.5
130.06519	0.6
147.04402	5.3
172.07524	0.3
175.08702	0.7
179.07056	1.3
181.04932	2.4
190.00826	0.3
207.06552	2.6
215.05287	0.4
217.09676	0.4
222.62180	0.3
233.06310	6.4
234.12416	1.9
259.16595	1.4
262.11893	1.7
274.08997	0.3
361.09027	1.2
361.13300	0.4
379.09970	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86651	0.4
56.24281	0.4
58.41795	0.5
67.37987	0.4
70.06583	0.9
84.08160	0.6
85.71267	0.6
86.09718	0.5
89.32909	0.5
119.04945	1.1
122.05996	0.9
138.00258	0.5
140.07083	1.2
147.04401	14.1
162.09102	1.0
164.03400	0.7
169.02632	0.7
180.10234	2.3
181.98656	0.5
182.08954	0.5
190.05063	0.7
208.09726	3.9
212.40575	0.5
215.05289	2.1
233.06320	15.5
282.81824	0.7
285.07407	0.9
311.10153	0.6
354.58392	0.7
355.21124	0.5
361.08920	3.0
361.13388	0.7
379.10007	100.0
379.14651	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	379.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06595	0.5
72.08163	2.5
79.96091	0.3
86.09705	1.4
91.05504	0.5
119.04928	0.8
120.07224	0.4
120.08091	12.9
128.53748	0.3
129.10236	3.1
136.07469	0.5
139.72531	0.4
147.03310	0.5
147.04411	9.5
152.05707	0.8
152.07028	0.5
157.09775	0.5
166.08684	0.8
169.02618	0.3
169.29692	0.4
177.10114	1.2
178.05022	1.4
198.07579	0.4
206.90614	0.4
217.09755	1.5
223.10788	2.2
232.12933	0.4
233.06293	8.9
262.11810	2.0
267.88391	0.5
285.07324	0.7
293.69028	0.4
361.08896	0.5
379.09973	100.0
379.20132	2.2
379.27777	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	379.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99320	1.3
70.06594	7.9
71.39596	1.9
72.08158	2.3
73.13192	1.8
76.30655	1.8
78.99931	1.6
90.56282	1.6
93.90992	1.7
96.04520	8.8
108.08121	2.2
111.08093	8.5
111.33680	1.7
116.07133	2.8
120.04449	3.5
120.08167	2.2
122.06036	19.1
126.06635	2.6
134.09673	3.0
136.07593	9.2
137.06032	2.0
138.01843	3.2
138.05478	2.0
140.07065	19.5
144.08055	2.5
146.06027	10.9
147.04485	2.0
154.08656	6.9
156.07675	19.9
158.99605	2.2
162.09135	24.4
163.07613	2.5
164.03464	12.2
172.06093	11.5
176.16132	2.0
180.10173	37.9
182.04497	2.3
188.07137	10.2
190.05060	9.8
190.08676	3.9
196.06015	14.0
198.07739	2.5
206.04550	10.9
208.06360	1.9
208.09691	80.7
234.99033	2.5
237.03114	2.1
253.09630	2.1
256.09671	2.6
267.11353	9.6
283.10800	10.5
284.09152	3.5
293.09293	2.6
301.12064	4.2
311.10385	3.5
312.08865	7.6
325.12024	4.0
329.11182	12.8
330.09860	2.3
343.13092	16.8
344.11099	13.2
347.12372	18.6
348.10837	2.4
361.14069	18.7
362.12515	3.1
379.15179	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54693	2.1
57.34394	2.0
59.63042	2.5
64.03065	2.4
76.76696	2.2
81.07053	6.4
92.08092	2.4
93.07081	4.0
95.08614	2.8
97.02908	3.8
104.07210	2.7
105.07014	2.9
107.08585	2.9
112.45979	2.7
130.87196	2.9
137.09665	2.6
264.49384	2.9
287.80667	3.1
379.18573	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70261	0.5
53.03962	0.6
53.23940	0.5
55.01873	0.5
55.05522	5.1
58.60884	0.5
62.47333	0.5
65.57240	0.5
68.17150	0.5
69.03436	0.7
70.06603	2.9
72.08159	100.0
81.03415	2.5
84.08162	0.6
85.02916	0.8
86.09707	1.2
88.28281	0.6
95.05002	0.7
96.04469	1.3
97.02907	1.1
99.04453	31.1
101.06023	2.1
117.05505	3.4
119.07047	0.8
120.08101	76.0
140.07079	1.0
147.04483	0.6
162.09106	1.0
175.10785	37.5
177.10228	51.8
180.10219	3.6
196.06128	0.8
205.07770	0.6
205.09718	18.8
208.09630	6.5
219.14868	0.9
259.14377	5.9
261.09805	1.0
267.11459	0.9
304.16556	15.1
311.10443	0.7
343.12845	2.4
347.12390	0.6
361.14035	0.9
379.09973	8.0
379.14929	7.6
379.19391	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	379.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
62.89311	0.6
71.08632	0.9
81.07058	1.0
82.50595	0.6
93.07049	0.7
97.10164	0.8
117.37436	0.6
133.40634	0.7
143.30952	0.7
163.11115	0.7
277.21609	0.9
337.72849	0.8
379.24545	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35756	0.5
71.08611	0.6
73.10855	0.5
77.29801	0.6
81.07066	0.8
89.50534	0.6
95.08601	0.6
95.32113	0.7
133.10159	0.7
156.76514	0.6
239.87447	0.7
252.23080	0.6
379.24527	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	379.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	2.0
57.03432	1.1
63.67728	1.1
67.05491	1.5
73.21675	1.1
75.89690	1.0
79.35753	1.0
81.07043	7.4
95.08603	1.5
97.10146	1.8
101.50136	1.2
107.08569	1.5
109.10209	1.6
121.10138	1.2
123.11693	4.8
181.60912	1.3
183.13828	7.4
243.90950	1.3
292.53796	1.2
343.11209	1.5
361.27286	5.4
379.24527	100.0
379.28171	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	379.284
Annotation	1-Arachidonoylglycerol
Peak:m/z	Relative Intensity
50.65348	0.7
53.00312	0.8
55.01880	0.8
55.05508	4.0
57.06874	0.7
57.07080	12.9
57.28836	0.7
67.05493	4.8
67.16810	0.9
69.07067	11.4
79.05500	4.0
81.07063	13.6
83.05001	1.1
83.08630	6.5
85.06541	6.6
91.05451	2.0
93.07040	8.7
95.08160	0.7
95.08619	10.1
97.06499	3.9
98.43756	0.9
98.97547	0.9
105.07027	2.1
107.08611	12.9
109.06525	6.1
109.10168	4.6
111.04424	6.5
111.08054	1.7
114.16740	0.8
119.08595	6.8
121.10139	5.0
123.08052	5.8
123.11723	3.5
125.05995	4.7
125.83437	1.1
131.08534	1.0
133.10139	3.8
135.08055	6.7
135.11687	5.4
137.05978	33.8
137.09593	1.4
137.13304	1.1
139.79297	0.8
145.10078	0.9
147.11710	4.8
149.09613	3.8
149.13245	4.5
151.07564	1.5
152.39468	0.8
153.12762	1.6
159.11604	1.0
161.09612	1.4
161.13243	1.7
163.11191	1.3
165.09068	1.4
165.12807	3.5
167.98692	0.9
175.11157	1.6
177.12724	4.6
179.10558	1.2
207.13814	1.8
263.20047	5.2
277.18124	1.0
285.26474	1.0
319.26254	5.4
323.22302	1.4
329.24918	1.1
337.22574	4.1
347.25793	53.6
351.28925	19.9
361.27228	4.6
373.87662	1.0
379.23990	3.9
379.28400	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.284
Annotation	1-Arachidonoylglycerol
Peak:m/z	Relative Intensity
55.05516	7.9
57.07080	14.2
57.38826	1.8
63.08624	1.6
67.05502	10.9
69.06192	1.7
69.07072	20.1
71.08621	8.2
71.09468	1.6
76.11124	1.8
79.05502	8.0
81.07066	21.6
83.04984	2.5
83.08623	3.8
85.06529	11.3
91.05435	2.5
93.07030	17.3
95.08598	23.3
97.06532	12.7
97.10183	2.6
98.97578	3.2
107.08603	20.6
109.06512	9.9
109.10165	10.0
111.04436	28.8
111.08067	4.2
119.08583	7.5
121.10138	10.9
123.08041	7.5
123.11667	2.5
125.06024	14.3
133.10143	4.2
135.08086	13.3
135.11671	18.9
137.05965	11.2
137.13243	2.5
145.10133	3.2
147.11676	2.9
149.09648	2.1
149.30916	1.9
153.12695	4.3
161.09648	2.5
163.11166	4.2
165.12769	3.4
177.12787	8.3
179.14336	7.8
181.12218	9.0
195.13786	4.6
221.18933	3.3
249.42326	1.8
258.34256	2.1
305.24689	56.4
319.26367	11.9
329.24771	3.2
337.22495	7.5
347.25809	84.1
351.28891	22.4
361.27283	12.1
379.23895	6.0
379.28415	100.0
381.43301	2.3
400.95639	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	379.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34040	6.2
54.04892	6.1
55.05513	15.1
67.05497	70.5
69.07070	35.5
71.08632	86.0
73.99975	6.0
79.05487	13.2
81.07056	89.5
83.08643	15.0
85.06544	9.2
92.68346	6.3
93.07032	37.8
95.08604	100.0
99.08100	49.6
105.07001	7.4
107.08560	30.7
109.10165	81.0
121.10148	34.7
123.11668	27.9
125.09600	9.2
131.21489	6.2
133.10124	15.9
135.11693	30.1
144.98177	6.7
145.10124	8.0
147.11684	14.4
149.13286	10.2
159.11641	10.2
161.13252	7.5
179.17950	7.3
187.14862	8.4
215.17921	25.7
233.19005	10.0
265.21634	35.2
329.28439	16.0
332.67496	7.0
347.29483	47.1
353.57315	7.1
361.30942	55.2
374.27002	8.4
379.32138	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	380.149
Annotation	Angoline
Peak:m/z	Relative Intensity
66.24568	0.4
86.09648	0.8
109.73911	0.4
114.99390	0.5
120.08075	0.7
123.10247	0.5
146.11588	0.5
183.00694	0.5
207.11258	1.7
216.66183	0.6
304.09793	0.4
304.17514	0.7
316.09653	0.6
319.12076	0.5
320.12778	5.9
332.09268	0.7
333.09930	3.1
334.10638	3.1
336.12323	1.9
348.12286	95.0
349.13071	13.4
350.10104	0.5
364.11942	2.4
365.12521	1.8
380.14926	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	380.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41019	0.8
52.62801	0.8
67.05506	1.7
69.03418	5.0
69.07065	7.5
71.04985	5.6
77.70103	0.9
78.83624	0.9
79.05495	1.8
81.03415	4.1
81.07063	20.3
83.08589	1.2
85.02908	7.8
85.06541	7.4
91.05485	4.5
91.57876	1.0
93.07039	9.1
95.08620	4.0
97.02878	7.3
97.06507	1.6
99.04464	2.1
100.28339	0.8
105.07014	9.1
107.08585	9.6
109.02861	7.3
109.06519	25.7
109.38946	0.9
113.05990	1.0
119.04939	6.0
119.08575	4.2
119.81679	1.1
121.10136	11.0
123.08060	1.8
123.11702	29.4
124.77202	0.8
127.03931	9.9
127.07524	11.4
137.05978	100.0
137.09634	1.6
137.13289	1.6
137.62671	0.9
139.11105	1.1
141.09116	1.1
145.04869	1.5
147.11681	45.2
151.00514	1.1
152.05673	9.1
155.07031	24.0
165.11328	1.8
165.12737	55.9
169.73271	1.0
173.08093	9.4
173.63838	1.1
175.43596	0.8
183.13785	35.0
201.14853	92.2
248.16513	3.6
252.48238	0.9
269.66510	0.9
281.10220	17.4
299.11191	11.9
316.22504	1.4
316.47183	0.9
317.12344	5.6
362.23178	1.9
380.19730	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	380.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09004	1.3
67.05505	5.0
69.03434	2.8
69.07075	9.6
71.05025	4.3
79.05472	1.4
81.03430	5.0
81.07059	18.0
83.08609	1.8
85.02913	8.3
85.06546	10.5
91.05468	2.6
93.07040	6.4
94.41051	1.2
95.08608	5.5
97.02919	2.3
105.07031	6.4
107.08605	11.6
109.02876	5.3
109.06520	14.6
109.10161	1.7
119.08557	5.0
121.10142	11.2
123.08064	1.6
123.11701	31.8
127.03902	6.1
127.07540	11.0
132.51526	1.2
137.05974	56.4
137.13278	2.2
147.11685	53.5
152.05684	15.3
153.12709	1.4
155.07079	8.7
165.12737	64.2
166.34143	1.2
168.69415	1.4
173.08073	5.1
178.11281	1.1
183.13792	37.0
187.14391	1.4
198.46960	1.3
201.14856	100.0
211.27930	1.3
215.13823	1.6
223.18272	1.2
229.01054	1.5
281.10260	10.6
299.11151	8.8
317.12228	5.0
380.11014	2.1
380.15366	1.9
380.19870	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	380.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	2.3
69.07071	15.3
69.30590	1.0
70.06590	5.7
72.08141	1.0
72.82066	0.8
79.05499	1.3
81.07053	11.4
83.08614	1.6
84.11488	0.8
84.99009	0.8
85.02892	1.9
85.06556	3.4
86.09708	4.1
87.14183	1.0
89.80672	0.9
91.05441	1.2
91.30058	0.8
93.07045	2.0
95.08588	4.4
99.04477	1.2
99.66927	1.1
102.71243	0.9
105.07037	16.3
105.21974	0.9
107.08582	11.2
109.02842	1.0
109.06520	3.9
109.10161	0.9
115.07555	1.4
119.08569	4.4
120.08070	1.7
121.10148	17.3
123.11705	68.6
124.07572	2.2
125.07894	1.0
127.03880	1.4
127.07542	15.3
129.09117	0.9
137.13261	1.4
140.07100	6.7
141.09058	1.0
147.11687	76.5
165.12741	79.6
169.13226	0.9
183.13809	27.1
201.14856	100.0
221.12830	1.3
306.69443	1.5
334.07266	0.9
339.12659	1.2
372.18289	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	381.0587
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87287	2.7
55.05524	4.8
69.03432	7.1
70.06583	4.8
70.84844	3.3
72.08171	5.3
81.03404	4.6
84.08170	7.6
84.96024	21.9
85.02934	12.9
87.04459	3.2
97.02878	4.6
97.10184	7.9
98.97585	5.5
99.04437	14.2
102.97111	4.7
109.02874	4.0
110.76353	3.9
115.11225	5.5
116.01650	4.2
119.04958	6.0
120.08134	5.4
122.06074	5.5
127.03972	7.1
136.07584	7.6
138.05559	4.5
140.07109	20.4
147.04453	28.7
152.07104	25.9
154.08653	14.8
162.09137	5.6
177.05461	8.6
178.05037	24.7
180.10233	7.5
182.08133	29.5
194.08151	59.1
196.06024	3.9
208.09680	26.1
210.07690	6.8
212.09236	31.1
221.01227	8.1
227.92758	3.3
239.02248	7.0
245.09245	4.3
253.03806	5.8
263.02222	20.2
271.10999	12.9
281.03476	5.0
289.11880	17.2
303.09760	5.2
305.03366	5.9
307.12637	3.9
321.02722	4.4
331.12906	9.0
349.13882	24.1
381.05609	100.0
381.12411	17.9
381.16406	22.5
381.20901	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	381.0789
Annotation	Resorcinolnaphthalein
Peak:m/z	Relative Intensity
55.11483	1.2
56.20349	1.3
142.30742	1.5
147.78824	1.8
233.47260	1.6
258.53827	1.5
300.09464	1.7
381.07938	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0792
Annotation	Resorcinolnaphthalein
Peak:m/z	Relative Intensity
61.83140	1.2
63.68477	1.2
64.15254	1.7
74.56520	1.2
85.12551	1.2
85.50333	1.4
139.19270	1.4
153.00386	1.7
155.14343	1.4
381.07928	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0788
Annotation	Resorcinolnaphthalein
Peak:m/z	Relative Intensity
51.99153	0.9
54.73636	1.2
59.65427	1.1
62.43316	1.1
67.87714	1.2
70.03680	1.1
73.72382	1.2
88.51159	1.4
116.94715	1.2
206.82761	1.4
215.06728	1.4
381.07898	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94283	1.1
60.09916	1.2
69.03416	1.6
70.06602	1.9
72.08170	1.8
73.06570	1.6
85.02888	2.4
87.04459	4.7
97.02873	1.5
105.01897	1.9
115.07566	1.6
115.11200	1.7
120.08117	4.7
127.03938	2.9
133.08618	4.9
136.07564	2.0
140.07056	1.3
152.07063	5.2
154.04948	2.8
162.26898	1.2
166.05031	1.5
166.08675	4.5
177.05527	2.1
178.04979	1.8
182.08119	5.8
194.08087	14.4
203.08064	1.3
208.09674	2.0
212.09215	4.9
215.08205	4.9
216.06557	1.4
228.06526	1.4
229.09732	1.3
233.09256	5.0
239.08160	5.4
243.07666	24.9
245.09241	5.7
247.07135	2.2
253.12126	1.3
257.09180	23.0
260.09140	1.3
261.08728	17.1
267.07654	69.1
268.05981	1.6
269.09207	4.6
271.07141	9.9
271.10788	1.5
275.07025	1.7
275.10287	8.2
279.09711	6.1
285.08710	96.6
286.07214	1.9
287.10205	4.8
289.08203	26.1
295.07114	15.6
297.89685	1.2
303.09674	13.8
307.09290	4.9
313.08200	40.7
321.10870	12.1
331.09216	60.6
339.11685	15.7
349.10001	1.5
363.11658	16.6
381.12915	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	381.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52860	0.7
69.03419	0.9
70.06597	0.9
78.23665	0.6
84.08042	0.6
85.02885	4.2
96.04480	1.5
97.02872	2.9
97.10148	1.0
99.04466	1.0
103.03927	1.4
109.02837	0.7
111.05553	4.4
123.05589	1.2
126.05486	0.9
127.03900	3.4
139.04997	2.6
140.07047	0.7
145.02841	1.2
145.05016	0.8
152.07033	1.1
154.04964	0.9
164.06970	1.0
177.05463	2.9
178.04956	1.6
182.08171	0.9
194.08101	3.4
200.07175	1.4
205.09579	0.8
210.07680	1.6
212.09123	1.5
215.08200	5.6
216.06410	0.7
217.09639	1.2
229.09801	1.2
233.09117	1.2
239.08151	5.4
239.40688	0.7
241.09583	1.1
242.08218	1.6
243.07620	21.4
245.09160	6.1
248.05525	2.5
257.09195	14.3
259.10730	1.1
260.09042	1.0
261.08679	13.5
262.42624	0.9
267.07626	74.3
269.09109	3.1
271.07120	7.9
275.10135	2.8
279.09714	1.4
285.08670	100.0
287.06955	0.8
287.10187	2.8
289.08197	20.6
289.11429	1.2
295.07114	17.7
303.09799	10.4
307.09305	1.6
313.08142	36.3
313.47003	0.7
321.10684	4.9
324.48163	0.8
331.09225	59.9
339.11853	5.9
349.10336	1.6
349.14127	1.1
363.11871	12.0
381.12836	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	381.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
55.05499	0.2
57.03437	1.1
58.36212	0.2
59.30436	0.2
61.02919	1.4
63.58149	0.2
69.03062	0.3
69.03435	7.2
71.04993	1.9
73.02902	1.1
76.01591	0.3
81.03417	6.9
85.02905	56.1
87.04472	0.3
95.05008	0.2
97.02895	10.6
99.04456	24.6
103.03944	100.0
109.02879	12.5
109.03505	0.2
109.03654	0.3
127.03912	95.1
145.04961	35.1
145.05865	0.4
163.06004	28.6
164.07059	0.4
169.04974	0.4
187.05984	3.9
204.11061	0.2
205.07092	2.2
224.09140	0.9
253.06999	1.1
271.08130	4.6
289.09229	3.5
307.10214	6.4
361.40683	0.3
363.16272	1.4
392.60052	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	381.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.9
53.31569	0.3
54.42058	0.3
57.03444	0.7
61.02929	1.7
65.42352	0.3
69.03432	9.5
71.04977	3.1
73.02921	2.0
76.39676	0.4
79.05536	0.3
81.03424	8.8
81.07038	0.4
83.05024	0.5
83.46970	0.3
85.02908	63.1
85.16480	0.3
89.33653	0.3
92.69038	0.3
97.02267	0.5
97.02893	16.7
99.04458	29.1
101.02408	0.4
103.03947	98.7
105.01840	0.6
109.02882	12.4
122.06013	2.0
127.03916	100.0
138.05499	0.5
140.07091	2.8
145.04961	33.4
145.21545	0.4
152.05772	0.5
152.07115	0.5
154.05022	2.6
163.06009	29.2
166.05016	0.4
169.04897	0.5
177.05450	1.7
178.04976	5.3
187.06006	4.0
194.08060	0.5
199.06032	0.5
205.07079	2.0
207.11337	0.6
210.07643	1.8
261.13321	0.4
271.08145	4.6
289.09164	3.2
307.10245	5.9
311.58484	0.4
341.26721	0.4
349.13843	2.4
363.16333	1.4
381.15869	1.9
381.20435	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	381.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.6
57.03435	1.1
57.27337	1.4
61.02932	2.8
69.03430	23.5
71.04986	3.4
75.34983	1.3
81.03429	12.7
85.02911	69.3
91.03952	1.9
97.02898	37.5
99.04461	38.8
99.50558	1.5
103.03946	87.7
109.02908	14.2
116.90450	1.3
127.03917	92.5
145.04967	48.6
163.06010	34.6
164.07053	60.0
178.08662	9.0
187.06053	1.8
206.08127	1.8
215.08151	1.6
224.09167	100.0
243.07680	6.6
257.09283	3.1
257.73944	1.6
262.57605	1.5
267.07629	26.1
271.07877	5.9
285.08655	31.7
289.08551	7.9
295.07260	5.6
303.09961	1.6
307.10184	7.3
313.08118	9.1
331.09244	21.5
339.11716	2.1
363.11716	6.2
381.12857	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	381.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05045	17.7
58.06596	10.5
60.04285	2.1
60.04536	34.6
69.03432	2.8
70.02493	1.6
70.02936	4.6
70.06599	8.3
72.04527	2.4
72.08160	11.7
74.06080	90.4
81.03410	3.7
84.04518	32.3
84.08147	13.8
85.02908	16.9
86.06052	4.1
86.09710	54.9
87.05596	12.8
97.02904	4.1
99.04462	4.8
101.07178	2.8
102.05543	56.3
110.07161	3.8
111.05587	2.4
115.05024	2.6
120.08104	100.0
121.08422	8.4
126.05525	10.8
126.06620	2.1
127.03940	3.7
129.06606	22.9
129.10219	14.9
130.06558	3.3
132.10207	47.5
136.07552	3.7
138.05482	3.7
143.08138	25.5
146.09627	3.0
153.06586	2.9
166.08638	17.3
169.84389	2.1
170.09270	3.4
171.07654	17.4
173.12885	21.1
173.74329	2.3
174.11235	2.4
177.08693	15.5
177.10242	17.3
188.10332	23.0
192.10172	2.8
197.12881	11.9
201.12375	8.0
203.11786	2.8
205.09729	4.1
215.13948	4.1
216.09785	46.2
219.13379	43.5
220.14986	2.0
221.12807	2.7
231.11232	3.4
243.13371	18.5
244.09337	2.9
249.12344	2.6
261.14471	58.4
262.96268	2.0
267.13300	4.0
293.12347	2.3
297.14603	17.4
318.14426	4.5
341.59491	2.4
345.16443	2.3
358.17679	2.0
363.16687	42.1
364.14954	7.6
370.52621	2.2
381.17838	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	381.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05039	8.2
59.95964	2.0
60.04246	2.7
60.04533	59.6
69.03435	8.3
70.02984	3.3
70.06593	14.1
71.17423	2.0
71.80710	1.9
72.04501	2.3
72.08152	9.9
74.06080	37.1
84.04508	37.6
84.08142	18.8
85.02913	25.8
86.06046	3.4
86.09708	77.9
87.05594	9.2
97.02891	11.0
102.05549	82.6
102.06189	4.3
105.06600	4.8
110.07175	4.5
116.07123	2.7
120.08102	31.9
126.05507	4.4
127.03917	5.1
128.10735	8.8
129.06555	4.9
129.10281	8.6
130.06529	3.1
132.10202	93.5
136.07617	3.1
138.05490	5.3
155.11830	3.7
156.06517	3.4
166.04900	2.6
166.08595	5.0
169.13326	3.2
172.07559	3.1
173.12859	45.0
174.11188	2.9
175.08672	8.4
186.07658	2.6
197.12825	23.3
200.07106	3.7
201.12379	14.1
203.06760	2.8
204.08693	5.1
216.09842	14.8
217.09637	2.8
219.13385	82.7
225.52280	2.5
234.12347	5.5
243.13341	30.1
249.07523	3.4
261.14453	100.0
262.11795	3.5
266.07782	2.8
297.14508	26.9
327.11823	2.2
327.15533	3.6
345.16516	8.6
363.17395	10.6
367.12674	2.4
381.07690	2.6
381.14331	3.9
381.18668	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	381.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
62.60295	3.7
63.36066	3.8
65.29316	3.5
75.24932	4.9
77.58483	4.2
79.01227	4.3
86.92247	4.1
97.87564	4.2
99.54665	3.8
381.20255	100.0
381.27826	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	381.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.0
55.05511	2.2
55.50373	0.7
56.05032	4.9
57.03434	2.4
60.05661	10.2
67.05505	7.0
69.03443	1.1
69.07058	1.7
71.82674	0.9
74.06067	3.7
76.05108	1.2
79.05483	6.4
80.05001	4.3
81.07069	8.2
83.08627	2.3
85.06525	1.2
91.05475	4.1
91.42570	1.0
93.07024	6.1
94.06564	2.0
94.64795	0.9
95.04947	2.0
95.08582	7.3
96.05607	1.1
97.10165	5.6
105.07026	5.2
107.04939	6.3
107.08573	5.8
108.04456	1.3
109.06524	4.4
109.10163	7.8
111.06729	1.4
116.08220	12.1
117.06998	3.9
119.08569	6.6
120.08092	2.0
121.06506	2.3
121.10131	2.1
122.05977	1.9
123.08040	3.7
123.86098	1.0
125.09611	2.3
131.08537	5.1
133.06442	1.1
133.10112	5.4
135.08046	5.5
135.11652	1.1
136.07585	1.9
137.09621	2.3
138.05479	1.4
139.66919	1.0
143.08591	1.5
145.06479	1.3
145.10130	2.3
147.08049	1.5
147.11687	1.3
149.09587	1.4
151.07475	1.3
154.59854	1.0
157.10175	1.1
159.08018	3.4
159.11760	1.2
160.07259	1.1
161.09619	6.9
164.07060	1.2
171.07936	1.4
173.09592	1.7
179.10614	1.2
180.06573	4.5
189.09081	10.2
189.10878	1.0
222.14769	1.4
223.14534	1.2
229.14423	1.2
233.15347	1.3
234.14874	1.3
244.13313	4.4
250.14326	1.8
260.16684	1.0
261.15967	4.7
262.14359	6.0
262.18011	6.4
263.17615	1.2
271.16907	4.4
278.17398	2.1
279.16971	2.4
280.16623	1.9
289.15320	1.0
289.18170	10.5
290.13785	2.1
293.18576	1.3
295.20099	3.9
307.16406	4.5
307.19357	1.2
321.18112	1.7
322.16409	6.5
337.22488	7.2
339.19019	5.6
349.12491	1.8
363.21509	4.6
381.15121	3.1
381.21384	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.9
56.41389	1.3
56.43493	1.5
57.03429	3.3
58.04075	3.3
60.05630	2.1
67.05483	8.9
69.07065	2.9
70.04937	1.6
71.04995	2.6
72.04497	6.7
73.65446	1.7
74.06085	16.5
76.05096	6.9
79.05480	9.0
80.05024	17.1
81.07040	8.8
91.05455	4.0
93.07030	7.2
94.06547	10.6
95.04955	2.5
95.08596	4.4
95.90197	1.8
99.90069	1.7
105.07020	2.2
107.04944	3.1
107.08562	3.6
108.08151	2.1
109.06465	3.0
109.10151	2.7
116.08209	64.6
118.04976	4.0
118.06480	3.6
119.08538	4.1
120.08102	16.9
121.06467	2.9
122.06047	3.3
125.09616	2.6
126.62440	1.8
131.08514	3.0
135.08061	3.0
136.06190	22.9
137.04387	1.7
137.06528	7.3
138.09088	2.3
142.12715	1.8
144.19704	1.6
146.05928	2.1
147.08008	1.7
160.07126	7.4
174.12762	1.9
174.66347	1.8
180.06528	2.5
204.13799	2.6
222.14819	3.8
232.13144	3.6
234.14685	2.4
236.16550	2.0
244.16852	9.3
248.34619	2.2
250.14265	11.2
260.16461	2.3
262.17993	25.7
278.17429	7.8
288.15955	2.5
289.17807	7.8
322.16495	6.6
337.22214	19.0
364.09009	3.5
381.21338	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04103	4.6
65.21738	0.5
68.59026	0.4
70.06585	1.2
70.85774	0.5
72.04523	10.4
72.08152	0.8
72.42108	0.5
74.06083	29.2
86.09692	2.5
99.05582	1.2
101.64651	0.5
110.07170	0.9
111.69022	0.6
116.08216	100.0
118.05014	27.3
120.08105	4.2
160.07166	49.8
204.13795	0.8
220.94141	0.6
222.14966	0.7
254.41368	0.6
262.17929	0.9
337.22476	6.6
381.16696	0.9
381.21341	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	381.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.2
55.01860	2.0
55.05503	8.7
57.03444	15.9
67.05515	18.2
69.03433	2.9
69.07055	10.1
70.06585	1.6
71.04983	3.8
79.05496	13.0
80.98503	1.5
81.03416	8.4
81.07061	21.5
83.04964	11.8
83.08602	8.6
85.05769	1.4
85.06540	2.5
88.53703	1.4
91.05483	12.7
93.07044	16.0
93.82465	1.4
95.04941	9.5
95.08597	9.2
97.06512	7.3
97.10158	9.4
105.07015	10.6
107.04948	13.4
107.08588	12.8
109.06503	9.9
109.10167	5.7
111.04450	10.6
113.06020	1.5
117.06989	7.2
119.08581	8.0
121.06481	16.4
121.10142	3.1
123.08062	7.5
125.09609	7.3
131.08559	8.5
133.06496	2.0
133.10135	7.3
135.08060	7.2
135.11713	3.7
137.09605	3.2
141.06973	3.1
143.08560	2.7
145.06502	1.9
145.10133	3.2
145.57141	1.5
146.31520	1.4
147.08038	2.2
147.11638	3.1
151.07443	1.6
159.08031	9.8
159.11736	3.0
161.13242	2.1
163.07492	3.0
163.11136	2.8
177.09099	1.9
187.11174	3.2
189.11182	5.7
194.16455	2.0
219.13840	2.3
221.11623	2.1
223.13206	3.5
227.12671	2.4
233.15344	7.6
241.14326	2.5
243.17560	2.1
261.18564	1.7
271.16910	8.8
275.01132	1.8
289.17987	25.8
307.18994	3.5
349.25854	7.4
363.21582	21.1
381.22559	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2265
Annotation	CHEBI:67681
Peak:m/z	Relative Intensity
51.85317	1.7
53.98389	1.5
55.01881	4.7
55.05519	11.8
57.03445	25.9
61.98880	2.0
67.05508	40.7
69.03436	3.7
69.07062	15.1
71.05001	7.8
77.39537	1.8
79.05491	27.9
81.03435	9.3
81.07061	56.0
83.05003	15.3
83.08616	12.9
83.41456	2.1
85.06556	2.3
89.02120	1.9
91.05479	17.8
93.07042	43.3
95.04946	18.0
95.08607	27.4
97.06503	6.9
97.10161	9.3
105.07064	16.6
107.04960	21.3
107.08599	27.2
109.02866	2.3
109.06524	31.5
109.10167	10.2
111.04467	15.6
111.08047	5.0
113.00022	29.1
113.05997	2.5
117.07015	11.7
119.08547	14.7
119.45142	2.3
121.06510	39.2
121.10160	10.6
123.08080	4.7
125.09618	7.9
129.07016	3.2
129.75980	2.1
131.08565	12.5
133.06537	3.5
133.10144	12.1
135.08055	16.7
135.11673	11.2
137.09657	9.4
143.08597	3.3
145.06577	2.5
145.10051	4.8
147.08089	4.4
147.11684	2.5
149.06081	2.3
149.09592	8.6
149.13249	11.6
159.08061	16.4
159.11736	14.4
159.54280	2.4
161.09584	4.6
163.07529	33.9
163.11220	3.0
169.02631	19.3
169.10146	3.9
171.11674	2.0
173.09621	3.5
175.11224	2.3
177.12784	4.4
185.09508	2.6
187.11217	3.7
189.11162	2.7
191.10760	2.9
191.14334	2.4
193.12221	3.0
195.13837	2.6
219.13817	14.8
223.13214	2.3
227.12813	4.3
233.15297	3.4
261.18399	3.6
265.14407	2.4
269.17493	48.1
271.16898	13.3
289.17996	47.2
307.19089	8.8
335.45657	2.3
349.25800	8.2
363.15683	14.2
363.21649	48.4
381.22681	100.0
381.27429	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	381.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05532	0.6
81.07057	0.9
83.90283	0.5
85.15626	0.6
86.32268	0.6
91.69537	0.7
97.82586	0.6
119.08634	0.6
121.06533	0.7
133.12885	0.7
135.08069	0.9
151.50262	0.6
161.29263	0.6
194.11526	100.0
196.09348	0.6
208.13109	10.3
210.11006	39.7
226.17862	0.7
270.18530	0.6
381.23624	6.4
381.27908	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	381.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07058	0.7
79.05458	0.6
81.49973	0.6
85.26345	0.6
93.07057	0.6
98.06062	0.8
106.52519	0.6
119.46600	0.7
120.54932	0.7
151.98138	0.7
209.11423	1.1
212.15196	0.8
213.12494	0.8
218.63974	0.6
255.20464	0.7
354.88638	0.7
381.26099	100.0
381.34644	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	381.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13164	0.6
59.99244	0.7
62.34683	0.7
65.22993	0.8
82.74259	0.8
100.61402	0.9
162.19635	0.9
276.21082	0.8
378.89166	0.8
381.26123	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04653	0.9
55.05516	1.6
60.35450	0.9
62.83582	0.9
67.05502	8.0
69.07058	6.1
70.37764	0.9
73.29668	0.9
79.05470	3.6
79.98114	0.9
81.07063	11.2
82.92783	1.0
83.08615	1.1
85.06557	1.2
91.05480	5.6
93.07045	8.4
95.04985	1.7
95.08608	12.4
95.82060	1.0
97.06488	1.3
105.07018	4.4
107.08588	7.1
109.10144	5.9
111.08086	1.4
117.07008	2.5
119.08573	6.2
121.06534	2.2
121.10190	9.7
123.04382	1.3
123.11642	1.5
131.08578	8.9
132.04926	0.9
133.06520	1.0
133.10123	6.7
135.08073	1.7
135.11693	8.5
137.09544	2.2
139.07552	2.1
143.08577	1.8
145.10121	8.1
147.08035	4.2
147.11696	5.4
149.09691	2.3
149.13263	5.3
157.10161	2.1
159.11673	4.6
161.09572	6.2
161.13284	7.6
163.11145	2.3
169.10159	1.9
171.11710	1.7
173.13290	4.2
175.14812	1.4
183.11728	2.1
185.13261	4.4
187.14790	4.3
197.13188	1.0
198.14746	1.1
201.12769	1.6
203.14320	1.1
215.74098	1.1
216.13693	1.4
244.16870	1.3
255.21115	3.8
265.19449	3.8
272.23721	6.4
273.22098	7.2
282.22107	1.4
283.20511	9.2
284.25565	1.2
300.23236	15.3
301.21609	51.8
311.20081	9.8
318.24179	6.2
319.22610	13.9
329.21127	24.8
346.23978	1.5
347.22180	9.9
364.24817	100.0
381.22647	10.6
381.27374	94.1
381.31519	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	381.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95576	2.3
55.05506	3.3
67.05503	15.5
69.07079	10.9
76.88914	3.7
79.05484	4.4
81.07072	24.6
83.08626	3.7
91.05485	4.4
93.07025	18.3
95.08617	27.0
97.06537	4.2
97.10144	2.7
105.07037	15.5
107.08578	17.7
109.10135	4.9
117.06995	2.4
119.08593	18.4
121.10128	21.9
122.94743	2.4
123.08072	4.1
123.11752	3.5
131.08559	12.5
133.10127	13.6
135.11687	16.2
137.09590	3.2
143.08533	3.3
145.10107	16.3
147.11725	2.6
157.10123	3.4
159.11688	11.2
161.13252	6.6
163.14874	2.8
171.11609	4.4
173.13336	3.8
177.16415	3.3
184.38625	3.5
185.13234	6.4
187.14835	5.0
199.14786	5.2
203.14265	3.8
208.51656	2.4
217.15852	3.4
220.17226	2.6
237.16652	2.7
311.23618	4.1
328.26340	16.9
329.24695	22.6
346.27441	30.8
347.25784	18.6
363.29684	3.4
364.28571	25.4
381.23727	3.7
381.31424	100.0
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
55.01872	0.8
55.05521	4.6
66.06807	0.8
67.05512	17.5
69.07064	8.2
71.05009	1.2
79.05491	8.8
79.92844	0.7
81.07067	33.0
83.04984	1.1
83.08620	10.2
85.06545	1.7
88.48962	0.8
91.05486	7.3
91.66466	0.8
93.07048	17.0
95.04953	1.6
95.08613	29.3
97.06538	2.2
97.10187	4.6
102.76681	0.9
105.07038	9.1
107.08604	20.3
109.10155	12.7
111.08071	1.7
117.07017	4.0
119.08573	14.2
121.06464	1.5
121.10151	24.3
123.08029	1.5
123.11673	2.0
125.09636	1.5
129.07045	1.4
131.08563	13.4
133.10104	10.8
135.11713	14.6
137.09596	1.1
143.08582	3.8
145.10129	15.8
147.11711	7.2
149.09621	4.5
149.13268	5.5
149.91643	0.8
151.07640	1.0
157.10167	4.2
159.11739	6.6
161.13260	4.3
163.14828	1.7
171.11716	4.9
173.13251	6.7
175.11220	1.0
175.14728	3.3
185.13251	7.3
187.14819	5.3
189.12756	1.4
191.14297	1.0
199.14732	6.5
201.16364	3.8
203.14398	1.8
205.15923	1.3
213.16469	1.6
217.15846	3.8
220.16977	2.1
227.18027	1.3
234.18663	1.9
235.16966	1.6
301.25238	3.8
311.23645	9.8
328.26324	17.6
329.24768	22.6
346.27414	30.7
347.25839	10.4
363.30054	8.1
364.28461	26.3
381.31137	100.0
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
51.52158	1.4
54.89388	1.4
55.05522	8.9
58.46082	1.3
67.05516	21.0
67.59772	1.5
68.61036	1.4
69.07074	10.0
79.05492	14.2
81.07059	33.2
83.08630	7.1
91.05493	6.7
93.07037	17.3
95.08606	36.2
97.06550	3.0
97.10178	6.9
99.58812	1.7
105.07047	11.2
105.72816	1.8
107.08592	21.8
109.10146	14.7
111.08079	1.9
117.07056	4.1
119.08620	8.3
121.10164	24.7
123.11690	3.5
131.08588	16.9
133.10167	13.0
135.11697	20.9
137.13252	1.9
143.08615	3.3
145.10155	16.1
147.11731	7.1
149.09740	2.4
149.13318	11.3
150.29565	1.7
157.10179	3.5
159.11679	18.1
161.13301	6.6
163.11165	3.2
163.14859	2.1
173.13319	8.5
175.11143	3.0
177.12717	3.0
184.29761	1.9
185.13284	3.6
201.16342	2.5
242.26352	1.7
244.88350	2.0
248.38368	1.8
301.25406	7.4
311.23779	9.4
318.27872	3.0
328.26477	11.6
329.24750	36.4
346.27368	31.8
347.26059	8.2
352.11560	2.4
363.30283	1.8
364.28455	26.6
381.15289	7.0
381.22830	9.3
381.26926	3.6
381.31262	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89079	0.9
55.05525	2.2
62.22369	0.9
67.05506	10.5
69.07055	5.2
79.05501	8.8
81.07057	32.0
83.08598	2.6
85.06505	1.3
91.05486	7.4
93.07047	25.6
95.04916	1.2
95.08603	44.4
105.07029	22.9
107.07919	2.0
107.08598	33.6
109.10151	21.5
111.08063	1.2
119.08566	18.4
121.10139	22.8
123.11715	10.3
131.08559	9.6
133.10135	22.6
135.11697	17.9
137.13295	1.5
143.08586	2.5
145.10135	14.9
147.11682	21.2
149.13268	23.5
151.11168	1.3
157.10132	2.2
159.11678	16.3
161.13260	24.1
163.14809	4.8
171.11684	5.5
173.13220	15.3
175.14819	13.8
177.16382	1.3
183.11620	1.4
185.13214	8.1
186.14008	1.4
187.14827	13.2
189.16376	11.7
193.15770	1.5
197.13303	1.7
199.14856	6.2
201.16336	6.2
203.17934	1.5
213.16402	9.2
215.17963	10.4
217.19537	5.4
225.16486	1.6
227.17940	5.3
229.19539	5.2
241.19505	4.2
243.21162	4.2
253.19614	1.5
255.21089	2.3
257.22711	1.4
267.21188	2.0
269.22775	1.1
271.20657	1.2
277.70599	1.0
279.20404	1.0
281.22806	1.5
283.24277	2.2
285.22122	2.1
299.23657	1.5
323.27240	2.2
353.31946	1.5
363.30508	13.8
381.31494	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	13.6
63.16039	2.0
67.05516	38.9
69.07069	20.3
71.08636	2.4
79.05485	18.1
81.07062	63.1
82.08432	2.8
83.08611	26.8
91.05504	5.2
93.07046	33.4
95.08607	70.5
97.06531	4.1
97.10178	15.9
105.07027	3.4
107.08617	25.3
109.10166	34.5
119.08546	11.2
121.10138	52.9
122.45593	2.5
123.11683	13.3
128.65955	2.5
133.10126	17.4
135.11693	42.3
137.09540	2.6
145.10182	3.2
147.11690	12.8
149.13272	16.6
151.11145	3.5
159.11647	3.2
161.13249	5.4
161.38451	2.4
163.14946	2.8
170.81894	3.1
175.14812	3.0
175.22498	2.6
195.24275	2.4
272.47928	2.6
329.28320	10.3
347.29370	31.4
364.32074	100.0
381.34921	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	382.0919
Annotation	4-Hydroxy-6-methylpretetramide
Peak:m/z	Relative Intensity
51.24377	0.7
54.54794	0.7
60.28082	0.8
66.36629	0.9
67.73542	0.7
77.94319	0.9
87.04527	0.8
96.73802	0.8
137.24184	0.8
141.23067	0.9
141.80482	0.8
165.05479	4.9
166.69469	0.9
172.03929	3.8
190.04980	42.5
218.04459	1.4
235.06215	1.5
263.05789	1.9
264.06592	3.5
265.07397	1.7
276.06845	1.5
283.66272	0.8
290.08017	1.7
292.06046	7.6
293.06931	3.9
303.05261	5.6
306.07773	1.1
308.05679	1.5
318.07718	8.0
320.05539	15.6
321.06369	4.5
331.04562	3.3
332.05533	1.3
346.06976	6.5
348.05096	5.2
349.05847	14.3
362.82358	0.9
364.08142	100.0
364.45444	1.0
382.09235	57.7
382.14200	1.9
405.35452	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	382.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94038	1.0
59.28572	1.3
63.56325	1.1
67.05487	1.2
68.18814	1.2
68.45491	1.3
69.07076	1.6
70.20590	1.2
77.29025	1.3
113.83156	1.3
144.04433	3.0
147.04456	5.0
174.05489	27.0
248.07033	2.3
264.06506	3.1
276.06570	55.4
280.05988	7.1
292.05927	5.4
294.07690	1.6
301.21637	5.7
306.07632	1.9
320.05316	2.9
322.07083	21.9
323.07883	2.4
335.04553	1.7
350.06558	62.9
351.07501	2.6
364.24823	3.0
365.23312	1.7
382.09180	100.0
382.25839	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	382.092
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13192	1.0
52.25657	1.2
53.26618	1.3
59.98601	1.1
60.60748	1.5
63.22202	1.3
82.65568	1.4
92.21003	1.8
99.86787	1.4
134.06029	2.0
144.04456	2.8
147.04364	3.5
174.05505	32.1
198.46397	1.4
207.02982	2.1
264.06558	2.4
276.06540	54.4
280.05942	2.3
284.67548	1.8
292.05936	2.6
294.07431	1.9
320.05566	2.6
322.07028	24.4
323.07861	5.2
350.06595	64.2
364.08093	1.7
382.09207	100.0
382.26627	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	Unknow
Peak:m/z	Relative Intensity
50.63225	0.6
67.48978	0.6
70.53296	0.6
71.61637	0.6
73.67968	0.6
85.64077	0.8
92.20940	1.3
107.08531	0.6
109.10197	0.8
119.03371	1.0
141.52327	0.6
142.87099	0.7
143.08612	0.8
147.08344	0.8
157.10217	0.8
160.05185	1.0
185.13264	3.1
199.07341	0.7
228.32077	0.7
236.12473	0.7
292.09668	2.8
306.07617	8.6
320.09171	3.2
321.06485	0.9
321.09912	8.2
323.11523	2.8
324.08563	9.2
334.07181	7.2
336.08664	1.4
338.10135	36.2
338.13904	11.8
348.08505	1.6
349.09326	5.0
350.10226	10.1
352.08136	80.4
366.09604	1.6
367.10492	38.3
382.12747	100.0
382.16290	6.5
382.22269	5.3
382.26511	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	382.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78992	0.5
71.84972	0.5
93.61042	0.6
112.50577	0.5
160.05167	1.1
198.94945	0.7
292.09717	1.1
306.07584	10.5
320.09357	2.9
321.09918	7.4
322.06979	0.8
324.08646	7.9
332.09363	1.1
334.07065	5.6
336.08511	0.8
337.09589	0.8
338.10223	34.4
348.08392	2.1
348.49622	0.6
349.09418	4.7
350.10229	9.8
352.08160	78.7
366.09625	0.9
367.10501	31.1
382.12836	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78992	0.5
71.84972	0.5
93.61042	0.6
112.50577	0.5
160.05167	1.1
198.94945	0.7
292.09717	1.1
306.07584	10.5
320.09357	2.9
321.09918	7.4
322.06979	0.8
324.08646	7.9
332.09363	1.1
334.07065	5.6
336.08511	0.8
337.09589	0.8
338.10223	34.4
348.08392	2.1
348.49622	0.6
349.09418	4.7
350.10229	9.8
352.08160	78.7
366.09625	0.9
367.10501	31.1
382.12836	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05041	0.8
57.03440	0.9
59.05012	0.7
60.04526	1.0
62.19807	0.7
69.07076	1.4
70.06581	2.0
72.04531	7.6
72.08151	19.9
73.02902	1.2
74.06071	1.0
84.04491	1.2
84.08171	1.1
85.02909	6.0
85.06544	2.2
86.09732	6.7
88.07629	1.7
89.94471	1.1
90.05554	72.0
90.06120	2.4
95.05005	1.3
97.02893	1.0
98.02422	5.8
100.04015	0.9
102.05544	1.8
103.07593	3.8
106.05046	1.7
110.07190	2.0
116.03442	9.0
119.04925	1.5
120.06630	1.2
120.08102	9.3
124.07587	7.2
125.57448	0.9
136.07571	74.4
142.08653	4.7
156.07672	2.3
160.09732	1.4
166.08620	1.3
174.11198	2.0
184.09692	15.8
184.11212	1.7
190.12242	1.3
201.12328	1.2
202.08882	1.4
202.10732	22.4
214.84528	0.9
220.10052	5.3
220.11789	100.0
231.11276	1.2
235.14392	16.5
249.12262	1.1
263.13879	14.6
346.14087	1.2
364.18784	3.4
382.15036	1.6
382.20279	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	382.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	2.0
55.01874	5.7
57.03437	3.4
61.02922	5.9
69.03437	28.0
71.04990	2.0
73.02911	4.9
81.03423	16.5
85.02906	100.0
87.00828	46.7
87.04454	1.0
97.02893	31.7
99.04445	15.2
105.01868	77.9
108.04450	1.1
109.02876	30.6
112.05083	1.5
113.03172	0.8
115.03932	1.2
117.01805	1.2
119.78888	0.8
127.03914	72.8
127.80309	0.8
129.01831	3.2
145.04964	25.6
145.47070	1.0
147.02888	3.4
149.13365	0.8
155.47963	0.8
156.38196	0.8
159.02841	13.7
161.47537	0.8
167.14316	1.3
185.15340	3.7
189.03990	1.4
213.03885	3.8
231.04971	27.1
248.07526	1.0
249.06053	20.4
321.13477	1.7
344.77203	1.3
350.13855	1.2
352.07843	1.3
352.11765	3.8
367.10144	1.8
367.14151	1.1
382.12439	1.9
382.16385	5.0
382.20355	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	383.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67226	0.5
63.04596	0.5
69.23941	0.6
85.02907	1.1
91.65307	0.7
99.12506	0.6
115.20216	0.7
118.95838	0.8
130.06511	1.2
145.89420	0.7
157.07634	1.4
158.06013	1.1
161.12167	0.7
175.08690	3.6
183.09157	0.8
200.06998	0.7
203.08145	4.6
217.09862	1.1
221.09215	2.4
251.08926	0.9
263.10172	2.9
314.31586	0.8
365.13412	1.0
383.07693	100.0
383.14316	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	383.0772
Annotation	Bactobolin
Peak:m/z	Relative Intensity
53.67226	0.5
63.04596	0.5
69.23941	0.6
85.02907	1.1
91.65307	0.7
99.12506	0.6
115.20216	0.7
118.95838	0.8
130.06511	1.2
145.89420	0.7
157.07634	1.4
158.06013	1.1
161.12167	0.7
175.08690	3.6
183.09157	0.8
200.06998	0.7
203.08145	4.6
217.09862	1.1
221.09215	2.4
251.08926	0.9
263.10172	2.9
314.31586	0.8
365.13412	1.0
383.07693	100.0
383.14316	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	383.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.8
61.02924	2.2
69.03429	6.3
81.03422	2.5
84.29868	1.3
85.02909	34.5
93.24963	1.3
97.02899	11.7
99.04443	2.0
103.03922	2.4
109.02876	2.1
110.07200	2.5
118.06557	1.8
125.63844	1.5
127.03948	6.6
130.06520	37.7
132.04443	9.5
132.08104	3.5
144.08057	20.9
145.07617	17.2
146.06010	7.3
148.07599	7.2
157.07610	51.4
158.06021	33.1
159.09135	10.3
169.07553	2.9
170.05962	2.1
170.08318	1.8
171.09122	3.2
172.07518	11.3
174.05507	7.4
175.08664	78.8
176.06992	2.4
183.09187	16.5
184.07605	3.3
185.07149	10.7
186.05484	2.1
188.07060	3.0
195.09047	1.9
199.08626	17.5
200.07115	17.3
203.08147	100.0
204.06589	5.5
209.07114	8.4
216.06726	1.6
216.08784	5.0
217.09732	34.3
221.09201	37.6
227.08163	7.8
228.06436	5.8
231.07632	2.7
243.07663	2.4
245.09192	18.8
246.05229	1.9
252.61377	1.6
263.10297	43.8
289.40967	1.6
299.10229	2.9
311.10101	1.6
329.11295	1.6
347.12369	9.5
348.10675	7.4
365.13504	42.3
383.07678	70.9
383.14410	95.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1511
Annotation	2-Methoxyestradiol-17beta 3-sulfate
Peak:m/z	Relative Intensity
55.01874	0.8
55.05518	2.3
56.05045	5.5
57.03439	1.1
58.06604	0.4
62.84349	0.4
67.05512	6.4
67.56346	0.4
67.93986	0.4
69.03451	0.5
69.07063	5.5
70.13474	0.4
71.05025	0.4
72.93790	0.7
79.05504	2.6
79.19456	0.5
81.03423	0.7
81.07060	5.4
83.04987	0.9
83.08622	2.0
85.65818	0.4
90.94822	0.4
91.05483	3.0
93.07037	4.1
95.04961	1.0
95.08607	4.5
96.18882	0.6
96.98340	0.4
97.06555	0.5
97.10159	1.8
101.39821	0.4
105.07025	1.9
107.04951	0.9
107.08602	2.2
108.95840	0.6
109.06490	0.8
109.10157	12.7
111.08144	0.8
111.11722	1.7
117.07016	0.5
119.08599	3.9
121.06477	0.6
121.10135	1.1
121.18388	0.5
123.08058	1.7
124.81945	0.5
125.09646	1.0
131.08603	1.5
131.17920	0.5
133.10109	1.8
135.08064	0.7
135.11649	0.8
136.11194	1.0
137.09605	4.9
138.65881	0.5
142.97824	0.5
147.11755	0.6
149.13255	2.8
153.13852	4.2
154.12267	100.0
157.10117	0.6
159.11653	1.0
161.09657	0.5
163.11096	0.5
166.15897	2.0
166.99976	0.4
171.14915	40.1
172.13327	0.6
175.11180	0.5
177.12761	0.5
196.16855	0.6
201.03644	0.9
210.18530	3.8
212.16495	2.9
229.05132	5.4
237.05717	0.6
241.05057	0.9
245.04820	0.5
249.05705	0.9
255.06731	1.7
257.08328	0.8
265.05270	0.6
267.06769	20.1
271.06070	0.6
273.18503	0.8
285.07822	8.9
291.19571	2.2
329.35596	0.5
347.13037	2.9
347.22556	0.8
347.26840	4.7
348.25287	3.4
365.14188	4.2
365.23230	3.7
365.27969	14.7
366.26144	1.8
383.10556	0.6
383.15192	13.0
383.24030	3.8
383.28970	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	383.191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	15.2
59.05011	2.9
61.02924	5.7
62.10463	2.0
63.57142	2.1
69.03432	72.8
72.08149	2.5
75.04450	2.3
81.03417	4.0
85.02911	100.0
87.04481	61.2
91.03938	2.4
97.02337	3.5
97.02901	63.3
99.04443	2.5
103.03977	2.7
107.49540	2.1
109.02862	4.8
115.03934	70.8
127.03918	19.3
133.04967	72.3
145.04959	28.7
163.05986	10.6
185.04886	3.8
229.03880	3.8
295.10355	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	383.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27500	3.5
59.49629	3.4
67.05504	20.0
67.26434	3.1
69.07045	4.1
71.08607	3.2
77.18786	3.2
81.07073	18.3
91.05489	6.0
93.07054	6.6
95.08601	15.9
107.08573	3.9
109.06513	4.9
109.10155	7.5
121.10115	4.3
144.36922	3.2
149.13275	3.6
151.11153	3.8
193.12183	5.7
196.17152	4.3
291.19360	8.9
327.49014	4.2
365.22964	6.8
375.84052	3.8
383.22104	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	383.2425
Annotation	Sarcostin
Peak:m/z	Relative Intensity
50.38774	1.1
55.05525	1.4
57.03437	1.8
66.06865	1.1
66.19606	1.3
66.67793	1.3
67.05515	7.4
67.05851	1.1
69.07061	3.4
70.28310	1.1
71.04964	1.2
80.46919	1.1
81.07055	8.0
83.04967	1.6
83.08642	1.7
93.07037	2.2
95.08620	5.6
97.14005	1.3
107.08574	3.0
109.06519	1.8
109.10165	5.4
111.04446	16.7
115.21210	1.3
119.08559	2.4
121.10143	6.2
123.11684	1.7
125.06016	3.4
133.10149	2.6
135.11749	3.4
137.05981	100.0
137.09557	1.4
141.27301	1.4
145.20155	1.4
147.11713	2.3
149.09592	2.0
161.09612	6.6
161.13255	2.1
161.47412	1.4
165.09143	1.8
167.10619	1.4
171.11699	2.2
175.11185	6.3
179.10660	1.7
203.17987	7.2
213.16217	5.0
231.17375	6.9
249.18452	5.3
251.59045	1.4
270.38412	1.5
277.17990	43.2
295.18851	10.4
302.96790	1.4
308.26450	1.9
346.29355	1.5
349.89011	1.4
351.21652	2.6
363.99512	1.6
383.24338	49.6
383.29114	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	383.2425
Annotation	Sarcostin
Peak:m/z	Relative Intensity
55.01868	1.1
55.05514	1.6
55.77048	0.6
57.03433	1.7
57.19625	0.6
67.05515	10.1
69.07057	3.8
71.04993	0.8
71.08640	0.7
71.70747	0.6
79.05482	2.8
81.07062	8.9
83.04974	0.7
83.08601	1.6
89.33500	0.6
91.05489	0.7
93.07025	3.1
95.08595	4.9
97.06505	1.1
105.07029	0.8
107.08565	3.4
107.62297	0.7
109.06505	3.1
109.10149	6.9
111.04438	16.5
111.08074	1.2
119.08566	4.1
121.10123	2.8
123.08022	1.3
123.11694	1.0
125.06010	5.4
131.08533	1.0
133.10101	4.3
135.08047	1.5
135.11693	4.6
137.05977	100.0
137.13260	1.5
138.36462	0.7
145.10149	1.4
147.08035	1.2
147.11711	7.6
149.09624	2.6
149.13338	1.6
151.07542	3.0
157.10107	0.9
161.09656	6.2
161.13280	2.8
163.11143	3.5
165.09068	3.0
167.10652	0.8
171.11688	0.8
172.10800	0.6
175.11203	3.9
189.12761	1.1
196.17038	1.4
203.17982	6.3
213.16385	3.5
221.19069	1.1
231.17453	5.0
248.18053	0.6
249.18422	3.9
277.17950	34.9
295.19037	8.7
351.21777	5.5
383.24234	50.7
383.29266	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	383.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.9
55.05508	11.7
56.05033	10.9
57.03444	28.9
58.82019	2.1
61.49738	2.2
67.05506	31.8
67.22033	2.7
69.03423	3.0
69.07065	25.2
71.04987	14.0
72.04538	3.7
74.06103	4.2
74.59579	2.2
79.05506	28.9
80.04984	4.6
81.03407	4.7
81.07063	70.6
83.04990	5.8
83.08617	10.8
85.02928	2.7
85.06538	4.2
91.05493	25.4
93.07043	34.1
95.04956	15.3
95.08603	23.2
97.06541	23.5
97.10164	10.2
99.08100	87.1
105.07040	16.4
107.04945	10.3
107.08590	22.2
109.06516	25.7
109.10150	11.0
111.08069	10.0
113.06000	5.0
115.07561	4.7
116.08241	4.0
117.07026	14.7
119.08578	24.1
120.08093	3.7
121.06520	2.9
121.10146	18.0
123.08066	6.5
123.11726	4.8
125.09632	6.2
127.07563	16.4
131.08553	16.8
133.10114	14.9
135.08066	4.7
135.11702	6.1
143.08618	3.8
145.10133	14.7
147.08063	10.0
147.11710	13.0
147.37158	2.6
149.09613	11.0
149.13258	3.3
157.10168	11.3
159.08032	2.9
159.11684	12.4
161.09628	11.2
163.11226	3.5
165.09064	2.7
169.10185	3.0
171.11681	4.5
175.11160	4.5
177.05540	2.9
177.12767	3.0
182.15398	3.6
185.13237	3.1
188.10770	3.9
193.12044	3.1
199.11122	2.9
215.37175	2.7
217.15788	3.1
245.19054	3.9
255.17448	5.1
262.14349	3.7
262.17957	4.3
264.18845	3.3
273.18475	33.7
291.19479	51.3
304.87787	2.9
308.15005	10.2
337.12958	3.4
347.22086	11.5
360.49319	3.0
365.23196	50.6
383.16602	12.3
383.24768	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	15.2
57.07069	5.3
66.73149	3.2
67.05513	27.2
69.03426	8.2
69.07082	16.3
71.05002	6.9
79.05486	9.1
80.65970	3.5
81.07066	29.7
83.08624	5.3
84.55979	3.6
86.66995	3.5
87.06666	4.4
90.37909	3.5
91.05492	19.7
93.07042	66.5
95.04950	20.0
95.08604	27.9
97.06532	15.8
105.07051	46.3
107.08582	27.8
109.06525	21.7
109.10167	30.5
111.08076	4.4
117.07027	4.5
119.08579	46.5
121.06557	4.4
121.10131	41.0
123.08034	21.1
129.07030	4.1
131.08531	27.6
133.10168	27.1
135.08058	22.7
135.11691	7.1
137.09641	6.1
142.07831	6.4
143.08577	16.8
145.10146	22.4
147.08026	24.5
147.11690	20.3
149.09616	15.2
151.07521	29.3
154.12297	27.2
155.70050	4.3
157.10129	34.4
159.11717	15.8
161.09621	17.4
161.13274	6.6
163.11113	7.5
165.09096	24.0
168.13815	4.9
171.11655	9.0
171.14923	7.6
173.09572	5.0
175.11232	8.2
175.14839	5.4
181.10086	4.3
182.15372	4.7
185.13268	17.8
187.11330	4.9
196.16931	44.9
197.13292	4.6
201.12727	5.8
203.14340	9.4
206.76302	4.6
207.13802	5.8
209.13173	4.5
212.23785	3.8
213.19601	5.6
215.14307	7.4
221.15402	35.9
227.14328	6.0
281.18991	5.3
287.20151	5.0
299.19818	4.6
383.25504	100.0
383.29276	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	383.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08061	0.4
55.05517	0.9
56.05042	3.4
57.03430	0.5
62.30642	0.5
67.05516	3.7
69.07056	2.1
70.06580	1.0
79.05477	2.4
81.07059	6.1
83.08604	2.5
84.08128	0.6
85.44816	0.4
91.05468	0.9
93.07017	2.0
95.05003	0.6
95.08607	3.6
97.06529	0.6
97.10184	4.1
98.09682	0.6
105.06984	1.0
107.08574	3.6
109.06547	0.5
109.10114	2.0
119.08582	0.6
120.57485	0.4
121.10112	0.9
123.08103	0.8
124.11219	2.8
125.09601	3.1
133.10156	1.8
135.11694	1.9
135.79692	0.4
141.73445	0.5
149.13243	1.1
155.10487	0.5
161.13217	1.9
168.13823	22.7
170.11742	2.7
178.15901	2.0
179.14278	1.1
182.15485	0.7
185.16486	7.6
189.11292	0.7
195.18552	4.5
196.16968	100.0
198.14784	1.0
202.78172	0.5
213.19620	16.5
214.18047	0.6
215.16406	0.6
347.26895	4.0
348.25201	2.1
365.23688	0.8
365.27982	10.6
366.26419	6.4
383.24344	2.6
383.29025	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	383.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49515	0.3
55.05508	1.0
56.05050	5.5
57.03427	0.5
59.55170	0.4
67.05511	4.2
69.07066	3.7
70.22922	0.4
71.04988	0.5
72.30487	0.4
72.93745	0.4
79.05481	2.2
81.07063	4.1
83.08609	2.3
91.05484	1.8
93.07043	3.3
95.04974	0.5
95.08628	3.4
97.06543	0.7
97.10168	0.9
105.07026	0.5
107.04922	0.5
107.08575	1.0
109.10170	11.2
111.08089	0.8
111.11707	2.6
119.08556	3.0
121.10165	0.6
125.09612	1.0
131.32263	0.4
133.10065	0.5
135.11636	0.5
136.11192	0.9
137.09615	4.3
149.13263	2.3
153.13863	4.0
154.12265	100.0
159.11653	0.5
166.15924	1.6
171.14925	42.2
172.13286	0.8
210.18526	4.9
212.16499	2.6
220.79498	0.4
229.05226	2.7
241.05161	0.8
267.06815	8.5
273.18549	1.0
277.37109	0.5
285.07870	3.8
347.12961	1.0
347.26831	4.2
348.25314	2.6
365.14108	0.9
365.23322	2.0
365.27911	13.4
366.26523	1.9
383.15390	3.9
383.24255	2.4
383.29031	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	383.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	7.0
67.05506	11.6
69.07071	11.4
71.04990	2.1
77.41499	2.3
79.05489	3.5
81.07059	38.0
83.08621	3.9
85.06546	3.2
90.10935	1.5
91.05475	3.0
93.07053	26.2
95.08603	47.7
97.10171	2.7
105.07037	12.9
107.08597	35.9
109.10171	36.2
119.08603	19.2
121.10144	24.6
123.11710	12.3
131.08582	2.9
133.10132	16.1
135.11702	26.1
137.13271	3.1
145.10138	14.2
147.11707	17.7
149.13283	19.7
157.10162	2.6
159.11670	14.2
161.13237	20.1
163.14812	4.3
171.11708	2.4
173.13210	16.6
175.14825	13.2
177.16437	3.7
187.14844	11.0
189.16348	16.6
196.17084	2.5
199.14838	2.0
201.16447	4.3
213.16498	3.9
215.17982	4.4
217.19601	2.9
229.19543	6.5
241.19485	2.5
243.21034	7.3
252.89352	1.9
255.21037	2.6
257.22632	3.6
283.24274	3.9
351.96936	2.0
365.32001	21.9
383.28262	3.9
383.33112	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	7.0
67.05506	11.6
69.07071	11.4
71.04990	2.1
77.41499	2.3
79.05489	3.5
81.07059	38.0
83.08621	3.9
85.06546	3.2
90.10935	1.5
91.05475	3.0
93.07053	26.2
95.08603	47.7
97.10171	2.7
105.07037	12.9
107.08597	35.9
109.10171	36.2
119.08603	19.2
121.10144	24.6
123.11710	12.3
131.08582	2.9
133.10132	16.1
135.11702	26.1
137.13271	3.1
145.10138	14.2
147.11707	17.7
149.13283	19.7
157.10162	2.6
159.11670	14.2
161.13237	20.1
163.14812	4.3
171.11708	2.4
173.13210	16.6
175.14825	13.2
177.16437	3.7
187.14844	11.0
189.16348	16.6
196.17084	2.5
199.14838	2.0
201.16447	4.3
213.16498	3.9
215.17982	4.4
217.19601	2.9
229.19543	6.5
241.19485	2.5
243.21034	7.3
252.89352	1.9
255.21037	2.6
257.22632	3.6
283.24274	3.9
351.96936	2.0
365.32001	21.9
383.28262	3.9
383.33112	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06479	0.6
55.05524	1.4
55.33827	0.7
57.03459	0.9
57.06824	1.2
57.07085	25.0
59.65824	0.7
63.75547	0.7
67.05505	3.6
69.07066	4.9
70.06612	0.8
71.08635	18.3
79.05488	1.4
81.07047	4.6
82.06590	0.9
83.08597	0.9
84.08157	0.9
85.10191	10.3
91.05472	1.3
93.07032	4.4
95.08612	2.9
96.08115	1.9
97.06551	1.8
107.08614	8.5
109.10146	1.1
117.04562	0.7
121.10120	1.0
135.11720	13.0
145.10126	0.8
152.14342	60.0
153.12770	3.4
155.01445	0.8
163.11244	1.1
170.15436	1.1
180.13820	6.4
184.20531	6.0
186.22174	52.7
198.14893	52.9
215.56770	0.8
237.41301	0.8
254.24818	1.1
334.20694	0.9
338.34143	4.3
366.33655	32.3
383.36307	100.0
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	Lilaline
Peak:m/z	Relative Intensity
51.27448	0.6
53.74171	0.6
56.05033	1.4
58.06593	1.6
60.04532	0.8
70.06601	5.5
73.11096	0.7
73.29218	0.7
73.81310	0.7
76.05156	0.8
81.07040	1.0
86.09722	1.3
98.12183	0.8
120.08068	1.4
129.10239	3.5
135.06796	0.8
149.02319	9.8
163.07449	1.2
165.09123	1.2
175.06276	5.9
176.07027	0.8
190.08635	33.4
193.01320	1.9
216.58842	0.8
240.10323	0.9
264.10098	5.5
292.09659	54.3
294.07584	1.5
295.08463	0.9
296.09219	4.1
307.08453	0.9
308.05652	1.8
309.09781	1.0
320.05746	0.9
322.07071	6.7
322.10474	1.1
323.07584	0.9
335.07748	1.7
336.04950	7.6
336.08606	2.2
338.10168	10.0
339.07269	2.8
339.11105	1.2
351.07370	3.2
366.09708	60.1
384.10764	100.0
384.18460	3.0
392.91479	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	384.1076
Annotation	Lilaline
Peak:m/z	Relative Intensity
50.14125	0.3
53.65260	0.3
59.04992	0.4
71.18840	0.3
91.05478	5.4
95.08617	0.5
107.08621	0.5
111.94590	0.4
119.04955	7.6
123.70175	0.3
135.04375	2.4
137.05986	1.9
147.04390	1.5
148.05165	3.0
149.05986	31.6
150.03189	0.4
151.03891	0.7
159.04437	0.8
163.03886	0.6
165.05463	4.7
174.05492	5.4
175.03853	1.4
176.04698	2.8
176.07054	0.8
177.05508	4.3
190.05008	2.9
191.05688	0.4
192.06578	0.7
193.04935	5.6
206.04494	0.8
208.06157	0.6
209.04440	0.6
220.06023	0.8
259.09052	0.4
265.07535	0.5
267.08511	0.4
270.74658	0.4
278.08188	1.6
292.07288	0.5
292.22711	5.7
293.06854	0.6
294.07620	2.9
295.08383	0.6
306.07889	0.6
307.08386	0.8
308.05560	1.4
308.09171	1.5
321.06213	1.4
322.06998	3.7
323.07712	3.6
324.08780	2.0
333.06342	0.8
336.04996	2.7
336.08694	3.9
338.10211	21.5
349.97055	0.4
351.07367	5.2
351.10999	1.0
352.08173	2.1
353.08972	1.4
356.11267	4.6
366.09698	25.5
366.14227	0.9
384.10757	100.0
384.27640	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	384.1074
Annotation	Lilaline
Peak:m/z	Relative Intensity
79.95898	0.5
92.21255	1.9
104.18947	0.6
114.09206	2.2
120.08122	1.1
125.81798	0.7
135.04376	0.8
144.04405	1.3
147.04384	1.0
149.06004	1.0
159.04417	3.3
160.03961	0.8
160.05167	1.0
165.05504	6.6
174.05476	11.3
190.04959	1.3
209.16402	0.7
234.09390	0.6
263.09625	0.7
264.10202	0.9
278.08081	1.4
279.08884	0.9
292.07010	1.3
293.06946	0.8
294.07590	3.1
294.11246	1.1
295.08533	0.9
305.06879	1.5
306.07730	2.1
307.08405	3.6
308.05573	4.0
308.09256	2.8
309.09924	0.9
320.05585	0.9
321.06458	3.2
322.07098	11.2
323.07904	3.8
324.08755	1.1
333.06299	1.6
336.04965	6.8
336.08795	2.5
338.10211	15.6
350.06702	4.9
351.07336	21.9
366.09708	100.0
384.10733	91.0
384.20892	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	384.1076
Annotation	Lilaline
Peak:m/z	Relative Intensity
51.82228	0.3
53.82594	0.3
69.07066	0.6
72.80303	0.4
78.23504	0.4
79.05529	0.5
81.07101	0.5
84.80475	0.4
91.05474	3.6
95.57246	0.4
108.80801	0.4
119.04932	6.7
130.66443	0.4
135.04433	0.8
137.05995	0.8
138.05472	0.5
147.04420	0.8
148.05173	1.0
149.05986	25.9
151.03947	1.6
159.04466	0.9
162.24652	0.5
165.05460	5.5
174.05505	5.5
175.03903	0.7
176.04674	2.8
176.06990	0.5
177.05424	3.0
187.10570	0.4
190.04991	2.5
191.03275	0.4
191.05801	0.6
193.04947	5.6
206.04514	2.0
208.12950	0.4
209.04552	0.5
293.06870	0.5
294.07669	2.0
295.08301	0.4
307.08481	0.9
308.47394	0.4
321.06476	0.5
322.07199	4.0
323.07898	3.2
324.08746	1.0
333.05981	0.8
335.08209	0.4
336.04974	1.8
336.08719	0.8
338.10193	21.0
339.42307	0.4
350.06659	0.7
351.07346	5.2
352.08203	2.1
356.11389	4.3
361.05032	0.5
366.09698	26.3
366.23425	2.1
367.10495	0.6
384.10767	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1148
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
52.89048	0.7
57.03426	1.2
60.05650	1.0
69.03433	1.6
70.06585	1.3
72.08143	1.3
74.06078	0.9
83.84267	0.7
84.08144	1.7
85.02914	1.0
86.09672	1.2
108.08111	1.7
110.07177	6.1
129.10254	1.1
131.30148	0.9
136.06184	12.1
136.07591	1.6
153.64282	0.8
162.07742	19.5
162.34137	0.7
163.84818	0.8
169.38094	0.8
188.05705	8.0
192.05148	10.0
199.86089	0.8
206.06752	9.5
208.09698	1.0
223.14211	0.9
234.06192	15.1
252.07265	100.0
384.11481	40.8
384.15643	1.3
384.19293	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	384.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17400	0.2
55.88712	0.3
61.09378	0.3
81.07060	0.3
87.04446	0.5
99.08123	0.5
111.14468	0.3
114.05495	0.5
114.09201	2.5
119.63488	0.3
196.13382	0.6
206.11775	1.3
212.79391	0.3
227.17227	0.4
294.07352	0.5
308.09000	0.4
310.10742	7.4
323.11609	0.8
324.12299	2.8
337.96082	0.4
339.11099	1.3
340.11749	8.1
352.11798	0.7
354.09692	6.9
355.10413	1.2
368.11267	28.8
369.12073	8.7
384.14410	100.0
384.21057	3.8
394.95212	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	384.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17400	0.2
55.88712	0.3
61.09378	0.3
81.07060	0.3
87.04446	0.5
99.08123	0.5
111.14468	0.3
114.05495	0.5
114.09201	2.5
119.63488	0.3
196.13382	0.6
206.11775	1.3
212.79391	0.3
227.17227	0.4
294.07352	0.5
308.09000	0.4
310.10742	7.4
323.11609	0.8
324.12299	2.8
337.96082	0.4
339.11099	1.3
340.11749	8.1
352.11798	0.7
354.09692	6.9
355.10413	1.2
368.11267	28.8
369.12073	8.7
384.14410	100.0
384.21057	3.8
394.95212	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	384.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19174	1.2
53.03945	2.0
54.09184	1.3
55.05519	25.4
58.24337	1.2
58.99557	1.1
59.05005	16.6
61.02924	5.0
69.03428	13.8
70.06578	2.8
70.92520	1.4
71.05003	1.6
71.06945	1.4
73.02910	2.8
81.03423	9.9
83.08619	100.0
85.02902	52.9
85.41154	1.2
87.00826	17.3
87.04465	34.4
87.23247	1.5
90.05520	2.5
97.02892	17.8
99.04451	13.7
99.04986	1.5
101.06010	26.7
101.09660	19.1
105.00056	9.5
105.01864	26.9
109.02886	15.6
110.07140	5.3
119.07050	72.4
122.97351	1.3
127.03910	34.5
145.04991	10.5
147.04398	1.7
159.02876	8.1
163.06172	1.4
176.17943	1.4
181.46014	1.3
194.07828	1.4
205.08963	26.1
213.03973	1.9
222.11580	54.6
231.04909	8.3
249.06000	3.1
262.16794	1.3
287.89279	1.7
300.12646	1.6
349.11627	1.9
384.13147	1.5
384.16693	17.6
384.21353	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	384.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24410	0.5
53.03936	0.6
55.05518	22.4
58.56870	0.5
58.99596	0.7
61.02942	0.7
69.03428	3.7
71.63869	0.6
76.95780	0.6
76.99783	0.5
81.03419	1.1
82.62340	0.6
83.08625	100.0
84.08105	0.6
85.02911	12.9
86.99039	1.1
89.80992	0.5
97.02888	4.1
99.04440	1.0
100.77573	0.6
101.09658	16.8
101.10328	0.8
101.39083	0.6
102.46202	0.6
105.00089	6.8
107.66343	0.6
109.02866	1.0
122.02739	2.7
127.03890	2.5
145.04868	0.8
147.04451	2.2
159.08380	0.9
187.07904	0.9
205.08926	33.5
222.11578	55.6
237.30956	0.6
366.16220	0.7
384.16867	20.3
388.66528	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	384.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22070	0.4
53.03955	0.7
55.05519	22.4
58.99593	0.5
69.03415	2.1
81.03395	0.9
83.08623	100.0
85.02914	11.6
86.99039	2.5
91.03971	0.7
97.02897	2.7
99.04442	0.6
101.09649	14.0
105.00097	8.1
105.47375	0.5
109.02901	1.2
122.02708	0.5
127.03898	2.3
138.71887	0.5
145.04970	0.8
159.08414	0.9
171.58092	0.4
183.93263	0.5
187.07834	0.7
187.69963	0.5
205.08925	33.9
222.11577	54.4
296.76099	0.6
359.78281	0.5
366.15891	0.7
384.16821	8.0
403.71179	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.4
55.01877	4.3
57.03430	1.4
57.07075	1.5
59.98952	0.9
61.02929	4.9
61.81426	0.8
63.04494	1.5
69.03439	22.6
71.04990	1.6
73.02919	7.5
74.21922	1.1
76.67644	1.0
81.03423	20.0
85.02905	100.0
87.00828	35.8
87.04472	2.3
91.03944	1.4
97.02893	29.6
99.04451	19.1
105.01868	67.0
105.52120	1.1
109.02126	1.4
109.02878	34.4
119.10679	2.5
127.03915	66.9
129.01846	2.4
145.04956	24.9
147.02881	1.3
153.05496	2.5
159.02893	17.5
175.90266	1.2
189.03902	1.4
190.01913	1.3
191.27107	1.1
196.15935	1.1
199.23051	1.0
204.17523	2.7
213.03984	8.3
222.18643	1.2
227.12755	2.3
231.05017	24.5
249.06067	18.7
290.08151	1.6
331.13803	1.9
338.10361	4.1
349.14932	2.2
355.25723	1.1
367.15982	1.5
384.14450	1.5
384.23553	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	384.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02953	0.5
56.05051	0.5
56.95850	0.5
70.06602	3.5
83.06120	3.5
84.08144	1.1
85.02888	0.6
86.09718	2.4
90.38257	0.6
93.04526	0.6
95.04990	0.5
95.06103	8.6
107.06123	2.5
110.07175	22.9
112.08752	1.1
113.07133	1.1
120.05600	1.0
120.08134	0.8
121.07647	0.9
131.05989	0.9
133.07635	1.1
139.50589	0.6
148.08664	0.8
156.07712	5.6
211.13409	0.6
215.60350	0.5
225.55135	0.5
239.15904	0.7
275.17456	4.1
276.17279	0.6
284.17609	2.6
285.16058	3.1
293.18604	21.8
302.18723	2.8
303.17398	0.7
311.19742	1.1
320.19742	12.3
323.19675	2.3
338.20746	45.4
339.19186	1.2
340.22589	1.0
366.20193	3.9
384.21310	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48240	0.4
53.85056	0.4
55.05424	2.3
55.05659	0.6
67.05396	2.5
68.04948	0.9
69.06969	0.7
71.08521	2.1
77.00938	0.6
79.05401	1.2
80.04901	10.6
80.05701	0.7
80.79356	0.5
81.03316	0.6
81.06931	2.8
82.06487	0.7
83.04875	0.6
83.08521	1.0
86.09604	0.5
91.05370	1.9
93.06927	2.2
94.06464	0.6
95.08477	2.7
95.09033	0.5
97.10088	1.3
98.05995	0.6
99.08054	1.1
100.11175	0.9
105.06905	1.1
107.08539	0.9
108.36156	0.6
109.10067	1.1
119.08504	0.9
125.09496	1.0
133.10043	0.9
144.12581	0.5
149.05850	2.7
149.09557	0.5
163.17982	0.5
166.12234	0.8
174.12653	1.1
176.14354	0.6
182.15337	0.7
192.13808	7.6
194.15298	3.5
198.14903	0.5
198.38264	0.5
222.14809	0.9
254.17854	0.7
264.19473	0.7
264.20358	0.8
264.23199	9.1
274.21652	4.5
292.22693	100.0
308.05597	0.9
308.09369	0.5
310.23822	3.4
323.07803	0.8
338.10278	1.1
351.07181	0.8
366.09735	4.2
366.27090	3.9
384.10727	9.9
384.27579	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	384.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	2.6
57.03439	2.7
58.06615	0.7
59.05011	6.7
66.71748	0.6
67.05521	3.0
67.28606	0.6
67.36904	0.8
68.05056	0.7
68.05814	0.9
69.07063	1.6
71.08643	3.6
79.05508	1.3
80.05013	10.1
81.07068	3.3
82.50245	0.7
83.08622	1.0
91.05461	0.9
91.56959	0.8
93.07066	1.3
94.06577	1.5
95.05017	0.9
95.08624	2.5
97.10182	3.0
100.07640	3.5
107.04913	0.8
107.08605	3.0
107.90264	0.7
109.06550	0.9
119.08601	0.8
121.10123	0.9
123.08069	1.1
126.06696	0.8
131.08531	0.8
135.04550	0.7
140.83278	0.6
145.10120	1.1
146.08098	1.3
157.54254	0.7
164.14525	0.7
174.12701	1.5
182.15434	0.9
192.13814	7.7
194.15483	1.7
206.15343	0.8
210.14986	1.4
236.19891	0.9
264.19775	1.0
264.23282	8.5
274.18994	1.1
274.21695	5.1
292.22699	100.0
310.23709	16.2
316.45142	0.7
325.17587	1.0
366.22537	1.0
366.26901	7.5
367.26865	0.9
384.27533	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	384.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42687	0.4
56.60816	0.5
57.06866	0.6
57.07077	4.2
60.32897	0.5
60.79676	0.5
67.05516	0.6
80.77821	0.5
109.10199	0.5
113.18128	0.5
113.64071	0.5
119.08582	2.1
121.06509	1.0
121.10151	9.0
130.40289	0.5
133.10109	5.1
147.11717	7.5
151.11235	0.7
163.11188	1.0
175.11185	13.1
205.91736	0.5
283.16922	100.0
339.23178	60.6
384.29089	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	384.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25861	0.5
55.05506	0.6
57.07084	5.0
61.18856	0.5
64.36844	0.5
67.05500	0.8
69.07054	0.9
81.35816	0.5
89.17056	0.5
105.07027	0.9
110.11803	0.5
119.08571	2.8
121.06558	0.8
121.10150	6.8
133.10138	4.3
147.11699	9.2
157.41487	0.5
163.11212	0.8
175.11177	11.3
247.78865	0.6
282.93030	0.6
283.16922	100.0
339.23178	65.5
384.22803	1.3
384.28253	2.5
401.53357	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.3081
Annotation	1-Arachidonoyl Glycerol-d5
Peak:m/z	Relative Intensity
50.05966	0.3
57.04161	0.3
57.38432	0.3
59.10567	0.3
62.91891	0.4
67.28093	0.3
79.66380	0.3
82.17786	0.3
83.18474	0.4
92.20868	0.4
97.86071	0.4
103.77097	0.4
119.90234	0.4
139.55496	0.4
295.29199	0.5
345.06036	0.4
384.30847	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
55.05515	1.0
55.87910	0.7
57.03439	0.7
67.02573	0.7
67.05508	3.1
69.07056	1.1
79.05506	1.6
81.07057	4.2
83.08650	1.1
91.05466	1.7
93.07067	5.0
95.04981	1.2
95.08602	3.5
97.06513	1.0
99.58322	0.7
105.07041	0.9
107.08577	3.5
109.06543	0.8
109.10138	2.7
110.03668	0.8
111.04440	1.6
113.06047	0.8
119.08581	1.1
119.12318	0.7
121.02840	0.7
121.10158	2.8
125.06010	1.3
131.08585	1.1
133.10121	3.0
135.11699	3.7
137.05969	1.5
145.10150	1.0
149.13300	0.8
151.03934	1.0
153.05460	4.1
161.06047	1.0
170.11800	0.9
174.63487	0.7
178.07774	1.0
179.08521	1.1
195.08122	1.0
206.07176	0.8
208.08891	0.9
218.07204	0.9
219.08112	2.8
220.08797	0.9
221.05910	1.0
221.09653	1.0
222.06857	0.7
223.07628	1.5
224.08386	0.8
225.08925	0.9
233.09486	1.0
234.06778	1.4
235.07561	5.3
236.08339	1.7
237.09053	4.0
239.07074	1.2
246.06763	1.0
247.07597	3.2
248.08382	1.1
249.09102	4.1
250.06299	1.0
250.10017	1.1
251.07062	3.2
251.10609	1.1
252.07832	3.3
253.08557	4.3
261.09265	1.4
263.07028	2.9
264.07904	5.3
265.08588	7.4
266.09363	0.8
267.10284	3.9
274.05991	0.8
275.07220	0.9
275.20059	3.3
277.08566	4.5
278.09354	3.8
279.07285	0.8
279.10049	6.1
280.07178	0.9
281.08142	4.2
282.08844	1.7
283.09854	1.3
287.77097	0.7
291.06522	1.1
291.10217	0.7
292.07397	1.4
293.07962	1.6
293.21103	1.1
294.08829	1.0
295.09692	6.2
297.11200	1.3
307.06192	1.7
307.09634	27.7
309.11172	3.0
310.08496	0.8
311.09213	1.5
311.18631	1.1
313.10764	1.7
323.09088	4.2
325.10889	5.5
337.10538	1.3
349.23840	1.6
355.11505	1.5
367.24826	2.3
367.28885	0.8
385.12802	100.0
385.21954	3.1
385.30740	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	385.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
66.97936	0.5
70.06595	0.8
77.72180	0.5
78.64469	0.5
95.95063	0.5
206.08124	1.1
385.14676	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	385.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73982	0.7
55.35268	0.6
60.05646	1.5
70.06281	1.2
70.06599	16.4
72.08166	0.8
84.08102	0.8
85.02870	1.0
97.02884	0.8
110.06025	1.3
110.07108	0.9
112.08752	6.4
112.60966	1.0
117.01446	0.8
122.06030	3.1
123.04431	1.0
124.07598	0.9
126.05476	1.6
130.02832	0.9
132.60561	0.8
138.05499	4.8
138.09221	0.8
140.07019	1.0
147.04391	1.7
150.05499	0.9
152.07059	33.7
154.08664	1.4
157.10844	1.4
164.07039	1.5
166.05019	2.0
166.08620	21.9
167.07024	1.2
177.09918	1.0
180.06584	1.6
182.08122	71.1
184.09724	1.5
190.85536	0.8
194.08131	100.0
195.06483	1.6
195.11266	1.2
200.09151	6.9
212.09174	52.4
215.11772	1.8
216.10135	1.3
228.10289	1.9
229.09805	1.9
229.15433	6.6
230.08168	1.8
243.11316	11.0
244.09734	7.0
246.07629	1.1
253.09692	1.6
254.16080	1.1
255.07692	0.9
255.14418	1.0
257.09256	4.5
258.85904	0.9
262.10645	1.3
271.10764	30.5
272.09079	7.6
273.12201	1.0
281.09171	1.3
289.11813	1.2
290.10184	9.0
299.10233	4.2
300.08960	0.8
306.09616	5.8
317.11325	4.6
318.09717	4.2
331.12985	1.2
335.12408	5.1
336.10718	9.3
336.27209	0.9
349.13953	23.5
353.13205	1.6
367.14978	16.0
385.09180	1.5
385.15906	13.0
385.21124	1.4
385.25522	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	385.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.6
57.03429	1.3
60.05659	2.2
67.05497	6.4
69.07069	2.4
70.03439	1.1
73.35936	1.0
76.36544	1.0
77.18515	1.0
79.05482	6.4
81.07049	8.8
83.04980	1.4
83.08612	2.5
91.05463	6.5
93.07046	6.7
95.04980	1.6
95.08579	7.7
105.07032	11.2
107.04945	1.8
107.08598	6.8
109.06480	2.0
109.10158	6.0
113.06936	0.9
119.08620	8.6
121.04485	1.0
121.10145	6.1
123.08068	2.1
123.11739	1.4
125.09641	1.7
128.06154	1.3
129.06995	8.7
131.04898	1.0
131.08534	2.4
133.06480	8.0
133.10123	6.1
135.08101	1.0
135.11707	4.5
136.05215	2.2
137.05971	2.2
138.06735	1.1
141.13185	1.1
145.10175	2.1
147.08015	4.7
147.11707	4.9
148.05193	6.3
149.09586	2.0
151.07495	1.7
151.11160	1.4
154.06271	2.4
155.04999	1.7
157.10168	1.4
159.08073	12.7
159.11708	2.1
160.05124	2.3
161.05974	12.7
161.09613	1.7
163.07430	1.3
166.06281	15.1
167.06998	1.2
169.08644	2.3
171.08101	1.2
172.05194	2.4
173.13293	1.5
175.07536	29.0
181.08589	100.0
187.07533	36.1
189.16382	2.4
191.07018	1.3
199.07532	9.6
205.08598	5.5
217.08769	1.4
249.09001	1.7
261.08920	1.2
264.11472	1.8
275.20062	7.4
277.08585	4.9
281.11542	1.5
289.08463	2.2
291.10129	1.6
292.10913	2.4
293.08112	2.2
293.11545	2.2
293.23050	5.6
295.13232	7.1
304.10995	1.6
305.11740	4.9
308.10461	1.7
309.11255	5.3
321.11328	9.0
321.14529	1.1
323.12857	6.2
324.13831	8.1
325.10782	1.4
335.12698	2.4
336.13474	7.0
340.13150	7.1
349.23688	3.9
355.15405	32.2
367.15326	10.7
367.24771	12.9
367.29572	2.5
385.27032	2.0
385.31134	4.4
398.80722	1.2
400.91013	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	385.183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09560	0.3
70.06588	0.4
85.02898	0.5
86.09737	0.4
125.07085	0.8
137.06009	0.5
177.05434	1.8
201.05469	0.6
203.05267	0.9
205.15857	0.5
223.05940	3.2
223.13031	3.9
226.81592	0.4
320.52664	0.4
385.18292	100.0
385.22342	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	385.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34508	0.3
57.03437	0.3
60.98755	0.3
61.04054	0.4
67.05518	0.5
70.06596	0.7
77.38069	0.3
81.07089	0.5
84.03881	0.3
86.06059	0.6
86.09705	0.5
104.26696	0.3
105.18584	0.3
107.08559	0.5
109.10191	0.6
112.68836	0.3
119.28623	0.3
120.89346	0.4
125.07114	2.3
127.08684	0.4
137.05956	3.3
150.23801	0.3
151.02814	0.4
173.11703	0.4
195.11255	0.4
201.05547	0.4
205.12108	0.4
223.13084	1.7
237.87297	0.4
248.51537	0.3
370.30670	0.4
374.56232	0.4
385.14523	10.5
385.18405	100.0
385.22470	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	385.244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58749	0.7
60.05645	4.8
66.22784	0.8
67.05485	0.8
69.07055	1.3
70.06595	30.2
71.04987	1.4
72.08154	2.0
73.43219	0.8
73.86782	0.8
81.07039	4.1
84.08152	1.5
92.21608	1.4
95.06068	4.0
105.07035	1.5
112.08720	15.7
113.07082	1.5
114.09155	2.1
114.10290	3.6
115.08666	7.8
116.07086	11.0
119.08565	1.4
121.10152	2.1
123.11701	3.3
130.09734	1.9
137.05994	4.0
140.08156	1.4
147.11696	8.5
158.09236	16.1
165.12698	5.1
175.11913	16.4
182.15367	1.3
184.07120	1.0
193.12305	0.8
210.14920	2.0
232.88919	0.9
280.18997	1.0
304.20135	18.8
307.20264	1.2
326.19098	2.5
332.19540	4.3
385.18707	5.0
385.24384	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	385.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82458	0.4
60.05656	6.3
61.22749	0.4
67.05502	0.8
67.91083	0.4
69.07082	0.6
70.06598	33.9
71.04987	1.0
71.65459	0.4
72.08156	2.1
72.35785	0.5
79.05467	0.5
81.07051	4.1
81.77370	0.5
84.21590	0.4
91.05489	0.9
95.06113	3.1
95.08611	0.6
97.07658	1.2
105.07063	0.9
107.08582	0.8
112.07963	0.7
112.08738	16.1
113.07130	3.1
114.10297	3.2
115.08694	10.3
116.07085	13.5
119.08566	0.9
121.10144	1.9
123.11694	3.0
130.09787	3.6
133.33394	0.5
137.05966	0.6
140.08185	2.5
141.06439	0.5
143.89485	0.4
147.11682	9.3
152.50311	0.5
155.58298	0.5
157.10901	0.7
158.09251	18.8
161.55937	0.5
162.82095	0.4
165.12732	4.9
175.11931	12.5
182.15404	2.2
184.07216	0.6
193.12234	1.1
210.14908	3.2
262.18042	1.0
264.19635	0.7
280.19016	0.7
286.19113	0.6
304.20224	18.1
307.20145	2.3
308.18649	1.2
322.21069	0.7
325.20874	0.8
326.19580	4.1
332.19641	2.6
368.21887	0.9
385.24438	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	385.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48703	4.4
55.01876	7.5
55.05515	27.8
56.47218	4.0
56.47573	5.2
57.03438	31.7
59.31660	4.3
67.05510	62.4
69.07066	51.6
71.04975	7.9
74.90096	5.4
79.05498	45.2
81.07059	100.0
83.04949	6.8
83.08611	50.0
91.05468	45.4
93.07046	69.9
93.44548	5.6
95.04980	10.9
95.08612	61.5
97.06520	22.2
97.10191	10.3
105.07031	57.6
107.04955	6.9
107.08592	73.4
109.06519	11.7
109.10156	37.5
117.07030	29.9
119.08587	51.0
121.10138	43.0
123.11684	8.4
129.06995	9.3
131.08594	52.0
133.10118	50.4
135.08023	9.1
135.11685	11.4
137.09610	7.8
140.43723	5.6
145.10110	37.0
147.11681	46.8
149.09631	23.4
149.13196	9.0
151.11150	7.6
159.11717	40.4
161.13235	9.9
163.11095	7.1
171.11713	13.7
173.13251	22.4
187.14862	23.1
189.11276	6.6
189.16354	9.8
205.15881	34.2
229.19604	7.1
257.18948	23.2
269.17453	13.3
275.20120	83.1
293.21063	9.5
349.23694	85.9
367.24774	84.2
385.25613	30.9
385.30542	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	385.2581
Annotation	CHEBI:68942
Peak:m/z	Relative Intensity
53.48703	4.4
55.01876	7.5
55.05515	27.8
56.47218	4.0
56.47573	5.2
57.03438	31.7
59.31660	4.3
67.05510	62.4
69.07066	51.6
71.04975	7.9
74.90096	5.4
79.05498	45.2
81.07059	100.0
83.04949	6.8
83.08611	50.0
91.05468	45.4
93.07046	69.9
93.44548	5.6
95.04980	10.9
95.08612	61.5
97.06520	22.2
97.10191	10.3
105.07031	57.6
107.04955	6.9
107.08592	73.4
109.06519	11.7
109.10156	37.5
117.07030	29.9
119.08587	51.0
121.10138	43.0
123.11684	8.4
129.06995	9.3
131.08594	52.0
133.10118	50.4
135.08023	9.1
135.11685	11.4
137.09610	7.8
140.43723	5.6
145.10110	37.0
147.11681	46.8
149.09631	23.4
149.13196	9.0
151.11150	7.6
159.11717	40.4
161.13235	9.9
163.11095	7.1
171.11713	13.7
173.13251	22.4
187.14862	23.1
189.11276	6.6
189.16354	9.8
205.15881	34.2
229.19604	7.1
257.18948	23.2
269.17453	13.3
275.20120	83.1
293.21063	9.5
349.23694	85.9
367.24774	84.2
385.25613	30.9
385.30542	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	385.2582
Annotation	CHEBI:68942
Peak:m/z	Relative Intensity
50.13542	1.9
55.01883	4.0
55.05523	30.4
57.03432	9.3
57.07085	1.8
59.59872	1.5
59.73639	1.7
67.05512	28.4
69.03428	4.6
69.07061	10.7
71.04997	3.4
71.08642	15.4
78.43181	1.6
79.05494	21.4
79.24225	1.6
81.03428	34.7
81.07056	29.9
83.04988	13.6
83.08620	34.3
85.02924	18.5
91.05465	14.9
93.07040	15.9
95.04974	32.7
95.08622	13.7
97.06525	10.2
97.10168	32.6
99.08099	9.5
105.07042	11.4
107.04945	7.9
107.08601	28.1
109.06509	2.6
109.10170	12.1
111.04448	15.7
111.08090	3.6
113.05978	2.4
117.07016	4.2
119.08582	14.1
121.06529	3.1
121.10135	14.9
121.61769	1.7
123.11739	2.6
125.09631	21.9
129.06967	3.4
129.55670	1.7
131.08586	9.5
133.10127	7.8
135.11700	10.6
141.55983	2.3
145.10112	3.8
147.11691	8.8
149.09604	15.1
153.12715	2.9
157.10124	8.5
160.54256	2.0
163.11215	23.2
165.12732	3.0
175.11165	3.8
181.12241	2.1
189.11223	10.8
193.12325	15.9
195.13763	2.9
211.13330	12.9
223.13332	3.6
227.12738	3.8
247.20537	1.9
275.20093	17.4
285.17102	2.6
293.18304	2.4
293.21097	81.6
367.24808	41.9
385.25845	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2581
Annotation	CHEBI:68942
Peak:m/z	Relative Intensity
51.29276	2.8
55.01884	3.5
55.05515	17.7
57.03436	14.2
58.36070	2.6
60.33956	2.3
67.05508	19.8
69.07062	3.3
71.04984	3.5
71.08630	12.6
77.89899	2.8
79.05502	15.0
79.17220	2.8
81.03427	34.4
81.07046	19.4
83.04988	7.2
83.08627	30.0
85.02909	26.2
91.05482	17.5
92.20908	3.3
93.07049	16.0
93.37790	3.1
95.04967	20.0
95.08598	12.6
97.10156	16.7
105.07043	5.4
107.05004	3.0
107.08604	14.1
111.04469	6.1
111.08109	4.7
113.06044	2.8
117.26586	2.9
119.08563	11.3
119.38100	2.7
121.10151	13.6
125.09635	12.4
129.07076	4.2
133.10094	4.2
135.08086	3.6
147.11678	7.1
157.10052	6.2
163.11169	11.3
193.12274	21.7
211.13185	24.3
223.38922	2.8
254.03984	3.4
275.20026	5.4
285.16998	5.3
293.21136	34.1
367.24612	11.9
385.25839	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	385.2581
Annotation	CHEBI:68942
Peak:m/z	Relative Intensity
53.48703	4.4
55.01876	7.5
55.05515	27.8
56.47218	4.0
56.47573	5.2
57.03438	31.7
59.31660	4.3
67.05510	62.4
69.07066	51.6
71.04975	7.9
74.90096	5.4
79.05498	45.2
81.07059	100.0
83.04949	6.8
83.08611	50.0
91.05468	45.4
93.07046	69.9
93.44548	5.6
95.04980	10.9
95.08612	61.5
97.06520	22.2
97.10191	10.3
105.07031	57.6
107.04955	6.9
107.08592	73.4
109.06519	11.7
109.10156	37.5
117.07030	29.9
119.08587	51.0
121.10138	43.0
123.11684	8.4
129.06995	9.3
131.08594	52.0
133.10118	50.4
135.08023	9.1
135.11685	11.4
137.09610	7.8
140.43723	5.6
145.10110	37.0
147.11681	46.8
149.09631	23.4
149.13196	9.0
151.11150	7.6
159.11717	40.4
161.13235	9.9
163.11095	7.1
171.11713	13.7
173.13251	22.4
187.14862	23.1
189.11276	6.6
189.16354	9.8
205.15881	34.2
229.19604	7.1
257.18948	23.2
269.17453	13.3
275.20120	83.1
293.21063	9.5
349.23694	85.9
367.24774	84.2
385.25613	30.9
385.30542	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	385.2582
Annotation	CHEBI:68942
Peak:m/z	Relative Intensity
51.35951	0.8
55.05520	5.2
57.03442	1.1
67.05515	4.6
69.03412	1.0
69.07071	5.5
70.52043	0.8
71.08641	11.0
79.05503	2.3
81.03401	1.1
81.07065	5.4
82.98413	1.1
83.08632	5.0
85.57116	0.9
85.80874	0.9
91.05460	1.6
93.07033	3.9
95.05000	1.0
95.08618	1.7
97.10184	7.3
99.08104	6.8
103.87347	1.0
106.08677	1.1
107.04924	1.1
107.08585	2.3
109.10133	1.6
116.98113	0.9
119.08594	1.0
120.26514	1.0
121.06510	1.5
124.09236	1.2
125.09653	1.9
128.85609	1.0
133.10080	1.1
137.04099	1.1
161.00540	1.0
164.11909	0.9
167.10660	1.4
177.12686	1.8
189.11220	1.0
193.12248	1.5
194.76256	0.9
198.30287	1.0
275.20093	5.7
293.21106	100.0
367.24811	47.2
385.26233	2.0
385.31058	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	385.2584
Annotation	CHEBI:68942
Peak:m/z	Relative Intensity
51.77275	1.1
51.80360	1.1
52.89867	1.0
54.79301	1.0
55.01875	8.4
55.05518	20.1
57.03443	11.4
57.07082	3.2
57.38134	1.4
60.02203	1.1
60.47663	1.1
62.32764	1.1
62.39154	1.2
62.47676	1.2
67.05508	40.0
69.03442	5.2
69.07080	12.8
69.07377	1.2
71.04988	5.6
71.08633	2.6
74.50366	1.3
79.05487	26.4
81.03430	7.3
81.06612	2.3
81.07063	43.0
83.04987	8.4
83.08627	17.4
84.21957	1.3
85.06539	5.7
85.10192	1.7
85.85036	1.1
91.05473	29.7
91.17773	1.6
93.07049	31.8
95.04976	19.9
95.08601	29.2
97.02938	1.4
97.06527	5.4
97.10158	7.0
99.08076	2.5
105.07044	24.0
107.04952	10.7
107.08590	31.5
109.06532	8.8
109.10152	34.7
111.04445	7.2
111.08062	2.8
117.07047	3.0
119.08575	16.9
121.06502	6.3
121.10146	13.2
123.08049	10.4
123.11710	7.5
125.09582	11.5
129.07062	2.6
131.08536	10.8
133.06490	1.5
133.10130	36.9
135.08022	9.1
135.11722	11.3
137.09647	8.4
141.09064	1.5
143.08606	2.2
145.10092	9.4
147.11659	12.8
149.09618	11.2
149.13240	2.9
151.11194	18.8
157.10152	6.8
159.11681	7.7
161.09625	1.9
161.13159	2.3
163.11125	9.2
165.12750	7.4
169.10080	1.5
169.12265	1.9
173.13251	3.0
175.11205	5.4
177.12766	7.1
179.10747	1.6
181.12169	2.2
186.63048	1.3
193.12239	5.7
195.13768	2.5
211.13333	2.9
229.14261	1.9
247.20509	13.9
253.14287	15.4
257.18967	5.9
265.21585	2.2
267.15866	5.9
271.15417	9.7
275.20038	32.7
285.16956	34.1
293.21118	45.1
311.22354	1.9
317.71878	1.4
349.23816	11.1
367.24780	100.0
385.25742	21.3
385.31046	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	385.2582
Annotation	CHEBI:68942
Peak:m/z	Relative Intensity
55.01891	2.8
55.05511	18.0
56.22345	2.7
57.03447	44.0
58.98316	2.7
60.75857	2.7
62.35612	2.9
63.26759	3.0
63.50558	2.7
67.05515	48.3
69.03421	6.9
69.07076	32.2
69.50169	2.5
69.98775	2.3
71.04984	25.3
71.07927	2.6
71.58012	2.8
79.05510	35.3
81.03437	5.6
81.07055	63.0
81.94730	2.8
83.04967	6.3
83.08639	16.9
85.06538	4.1
91.05473	30.7
93.07048	64.0
95.05003	6.1
95.08597	50.9
97.06541	13.9
97.10187	22.4
99.08122	3.7
105.07024	32.8
107.08595	46.2
109.06510	14.2
109.10165	31.7
111.08082	18.2
117.07004	6.9
119.08582	23.8
121.10139	53.9
123.11662	5.3
125.09647	15.8
129.07004	4.4
131.08549	24.9
133.10121	22.9
135.08060	6.8
135.11716	14.4
137.09578	3.6
139.11212	27.9
143.08548	5.8
145.08586	3.1
145.10143	21.4
147.11716	16.4
149.09631	13.8
151.41338	3.5
157.10254	3.8
159.11694	12.7
160.58234	3.0
161.13226	5.4
163.11153	5.7
169.10138	4.0
171.11694	7.7
173.13266	7.6
185.13217	7.2
187.14796	7.7
189.12782	3.8
191.14333	3.9
201.16339	4.1
203.12744	12.7
203.14389	6.9
219.17409	6.6
221.15410	3.2
239.17926	3.9
241.14319	16.1
257.19086	6.7
259.15366	12.9
275.20035	100.0
293.21149	50.0
303.82166	3.9
349.23755	14.1
367.24741	87.3
385.25897	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	385.258
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56293	2.4
55.01880	4.9
55.05513	18.6
57.03448	32.2
67.05509	66.7
67.29989	3.2
69.03449	3.7
69.07074	36.4
71.04993	20.8
71.08630	3.6
79.05495	43.4
81.03430	14.5
81.07063	72.3
82.63046	3.6
83.04985	14.3
83.08621	18.7
85.02912	4.1
85.06547	4.6
91.05488	34.5
93.07048	68.1
95.04966	16.4
95.08605	48.0
97.06516	19.4
97.10158	18.8
105.07007	28.9
107.04978	3.8
107.08598	58.0
109.06531	15.3
109.10154	32.7
111.08096	23.4
117.07016	5.7
119.08611	28.5
121.06465	3.1
121.10129	47.2
123.08007	5.2
123.11713	5.7
125.09605	20.6
128.43813	3.1
131.08568	32.8
132.03046	4.1
133.10138	18.1
135.08067	7.5
135.11679	5.9
137.09579	7.9
139.11194	22.4
145.10135	19.3
147.11732	5.2
149.09631	16.3
149.13190	5.4
151.11201	7.2
159.11696	13.4
161.13330	7.4
163.11194	6.1
167.10629	3.4
171.11673	5.4
173.13255	5.6
175.14812	6.0
185.13309	3.7
187.14761	6.5
189.11137	5.5
189.12712	4.1
203.12761	24.2
203.14421	6.0
205.16013	5.5
219.17514	3.7
241.14275	5.9
257.18982	14.4
259.15442	7.3
267.15747	4.1
275.20096	100.0
293.21042	50.7
295.19077	6.8
344.05301	4.0
349.23709	19.9
367.24774	77.4
385.25726	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	385.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62437	2.9
53.71518	2.5
55.01876	15.2
55.05519	24.5
57.03442	14.0
57.07088	4.6
67.05515	55.8
69.07063	20.6
71.08631	5.2
79.05501	23.8
81.03411	12.7
81.07063	64.0
83.04999	7.7
83.08613	18.3
89.66449	3.3
91.05474	37.9
93.07047	29.5
95.04977	26.5
95.08618	28.8
97.06503	11.2
97.10180	7.3
99.04490	4.2
105.07050	38.9
107.04976	7.6
107.08599	35.7
109.06532	7.7
109.10127	30.1
111.08076	4.9
113.09582	4.2
117.07017	5.5
119.08571	22.8
121.10165	19.3
122.10477	3.7
123.04472	3.6
123.08086	6.6
125.09677	5.3
131.08583	4.7
133.10130	63.9
135.08089	11.7
135.11720	7.2
137.09604	14.1
145.10153	7.9
147.11693	19.4
149.09679	4.5
151.11162	31.3
157.10150	4.5
163.11266	12.4
175.11168	13.6
176.11520	7.4
183.11784	3.8
193.12202	4.6
211.13295	6.4
247.20471	3.9
253.14397	15.2
267.16040	4.8
269.10635	5.5
271.15417	7.0
275.20001	32.3
283.16922	35.1
284.17264	100.0
285.17136	27.4
293.21063	27.9
340.23535	58.8
349.23666	21.4
367.24796	74.9
385.25961	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	386.196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99770	0.4
53.07076	0.4
58.06625	0.8
62.62717	0.5
66.56842	0.5
91.05457	0.6
116.47145	0.5
128.30284	0.6
128.41740	0.5
136.05243	0.6
137.96770	0.6
150.06787	1.2
151.07555	4.7
152.62769	0.7
153.09094	1.3
165.09099	17.5
166.06233	2.2
175.07501	0.7
181.08556	5.5
189.09114	1.4
190.08644	8.2
191.07051	4.8
192.10170	1.0
193.10951	1.0
194.11723	2.3
204.10191	49.4
205.10973	13.9
206.11736	3.2
208.13290	0.6
222.11234	12.2
291.10153	2.7
291.32840	0.8
294.12469	3.0
296.14056	1.1
299.12775	1.0
306.12469	13.3
307.09680	1.1
308.14114	0.7
322.11850	2.6
323.11392	1.0
324.13397	0.9
325.14288	0.7
327.15930	2.4
336.12305	1.0
336.15906	3.8
337.17111	1.0
338.13702	1.1
342.13257	2.2
352.15457	3.1
368.18436	7.4
370.12622	1.1
371.13419	1.1
386.19589	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27755	0.5
59.37516	0.6
60.24926	0.6
120.39697	0.8
134.00620	0.6
150.06697	1.6
151.07538	6.9
152.07091	1.0
153.09065	1.3
163.07610	0.8
165.09119	17.4
166.06230	1.5
167.01711	0.9
167.03131	0.7
172.13251	1.0
175.07654	1.2
181.08582	5.8
189.09177	1.0
190.08594	7.5
191.06993	4.6
193.10982	1.4
194.11725	1.0
204.10194	44.6
205.10982	16.5
206.11726	3.9
222.11246	11.5
275.10648	1.1
280.72354	0.8
291.10068	2.7
294.12378	1.1
296.14154	0.9
299.12744	1.7
306.12500	13.5
307.09637	0.7
322.11807	2.7
327.15884	2.6
336.15930	4.2
337.17038	1.1
338.13831	1.6
352.15381	3.5
353.16162	1.0
355.15298	1.1
366.16739	1.2
368.18481	6.4
386.19534	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	386.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27755	0.5
59.37516	0.6
60.24926	0.6
120.39697	0.8
134.00620	0.6
150.06697	1.6
151.07538	6.9
152.07091	1.0
153.09065	1.3
163.07610	0.8
165.09119	17.4
166.06230	1.5
167.01711	0.9
167.03131	0.7
172.13251	1.0
175.07654	1.2
181.08582	5.8
189.09177	1.0
190.08594	7.5
191.06993	4.6
193.10982	1.4
194.11725	1.0
204.10194	44.6
205.10982	16.5
206.11726	3.9
222.11246	11.5
275.10648	1.1
280.72354	0.8
291.10068	2.7
294.12378	1.1
296.14154	0.9
299.12744	1.7
306.12500	13.5
307.09637	0.7
322.11807	2.7
327.15884	2.6
336.15930	4.2
337.17038	1.1
338.13831	1.6
352.15381	3.5
353.16162	1.0
355.15298	1.1
366.16739	1.2
368.18481	6.4
386.19534	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	386.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27755	0.5
59.37516	0.6
60.24926	0.6
120.39697	0.8
134.00620	0.6
150.06697	1.6
151.07538	6.9
152.07091	1.0
153.09065	1.3
163.07610	0.8
165.09119	17.4
166.06230	1.5
167.01711	0.9
167.03131	0.7
172.13251	1.0
175.07654	1.2
181.08582	5.8
189.09177	1.0
190.08594	7.5
191.06993	4.6
193.10982	1.4
194.11725	1.0
204.10194	44.6
205.10982	16.5
206.11726	3.9
222.11246	11.5
275.10648	1.1
280.72354	0.8
291.10068	2.7
294.12378	1.1
296.14154	0.9
299.12744	1.7
306.12500	13.5
307.09637	0.7
322.11807	2.7
327.15884	2.6
336.15930	4.2
337.17038	1.1
338.13831	1.6
352.15381	3.5
353.16162	1.0
355.15298	1.1
366.16739	1.2
368.18481	6.4
386.19534	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	386.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.3
56.98253	0.3
86.06052	0.3
90.86413	0.4
92.01470	0.4
104.50670	0.3
124.82096	0.4
128.03741	0.3
132.69449	0.4
133.10170	0.4
144.76840	0.3
151.07495	0.6
161.08353	1.9
178.08594	0.7
178.93266	0.3
189.07825	2.8
207.08911	4.8
220.09764	2.3
222.11255	100.0
282.90747	0.4
295.58957	0.3
368.10992	0.4
368.20712	0.4
386.11816	1.5
386.19583	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	386.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95443	0.5
56.80943	0.5
60.05636	0.7
60.22853	0.5
65.31389	0.5
70.06583	1.5
72.08135	3.6
76.05132	1.5
82.19005	0.6
84.08144	1.3
86.06037	2.4
86.09698	11.3
103.61045	0.6
107.08646	0.9
114.05499	0.8
114.09177	0.9
130.08611	0.7
147.11252	1.3
160.07146	1.3
177.09848	1.0
190.08694	1.0
191.09395	1.2
201.12317	0.9
204.10130	1.0
206.11754	100.0
216.15916	0.9
234.12343	0.8
243.13429	0.8
263.90039	0.8
266.14838	0.9
354.40634	0.7
355.71295	0.7
386.19507	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	386.202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.4
56.54526	0.9
57.03450	13.5
59.05001	6.0
61.02933	5.6
69.03436	70.8
70.06594	1.3
73.02915	2.1
75.04471	1.4
77.82854	0.9
81.03432	1.7
85.02913	100.0
87.04475	79.1
91.03948	5.6
97.02896	73.4
99.04459	5.2
103.03915	1.2
109.02888	7.0
115.03933	97.4
127.03930	17.5
133.04965	77.0
145.04973	35.5
150.07602	12.7
163.05992	19.7
187.08453	1.1
207.12369	1.4
225.23976	1.3
237.13306	14.7
241.07059	2.2
259.08179	12.5
277.09290	1.9
295.10226	13.9
386.24548	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	386.202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15699	1.6
55.06817	1.5
57.03447	18.2
59.05006	3.7
61.02924	2.5
63.60882	1.7
65.90990	1.6
69.03439	73.1
73.02925	1.9
80.45889	1.4
81.03415	2.8
85.02912	100.0
87.04473	78.3
91.03944	3.7
94.79134	1.7
97.02898	73.1
99.04453	2.6
109.02880	6.5
115.03936	97.8
118.97781	1.8
127.03922	24.5
133.03961	3.2
133.04970	79.9
145.04973	37.6
150.07610	11.0
156.29369	1.6
163.06013	19.6
197.02716	1.6
207.63754	1.6
229.07042	2.2
237.13295	9.7
241.06856	2.2
244.52290	1.9
259.08118	9.3
277.09277	2.0
295.10422	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	386.2897
Annotation	CHEBI:73062
Peak:m/z	Relative Intensity
55.05511	40.8
57.03437	14.7
57.07074	7.6
57.26303	5.7
67.05509	94.1
69.07065	36.3
71.04985	6.0
71.08630	29.0
78.98350	5.9
79.05504	56.7
81.07060	93.3
83.05011	7.9
83.08633	12.7
88.07580	7.4
91.05451	49.9
93.07053	100.0
95.04958	12.2
95.08590	52.1
97.06567	9.1
97.10161	25.8
99.08099	13.9
105.07027	46.7
105.96783	6.0
107.08603	62.2
108.72976	6.2
109.10157	39.9
111.08086	8.7
119.08562	30.0
121.06490	8.0
121.10152	34.3
131.57742	6.3
133.10135	15.3
135.11662	48.1
135.69640	6.3
139.11143	8.6
147.11642	15.1
149.13286	13.2
159.11678	12.8
161.13193	9.1
163.11122	7.4
177.12727	6.2
179.14276	9.1
193.15913	6.0
198.14871	27.5
229.14293	8.1
252.92767	7.3
259.20560	30.9
269.17511	74.3
277.21530	64.7
286.20081	34.0
345.20276	8.0
351.25262	88.1
366.74802	6.9
368.27997	29.0
386.28586	57.0
386.33347	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	387.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06587	0.7
64.15296	0.3
65.17175	0.3
69.03436	0.4
70.06605	0.5
83.20858	0.3
84.08133	0.5
86.09698	2.3
89.03914	2.3
92.21574	0.3
97.02860	0.5
105.07009	0.5
109.10139	0.3
112.53727	0.4
117.03363	5.8
137.09654	0.5
144.06590	0.7
145.02846	53.8
149.05963	4.1
160.07135	0.4
161.05948	0.4
161.09412	1.7
163.03860	0.5
177.05461	100.0
185.07849	0.3
189.20808	0.3
225.14690	0.5
243.93184	0.4
324.23297	0.5
381.94537	0.3
387.15793	1.9
387.22122	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	387.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68078	0.3
55.90747	0.3
65.03939	0.4
68.44129	0.3
70.06579	0.4
72.08134	0.7
74.06098	0.3
75.72907	0.3
76.05097	0.3
79.05492	0.5
81.15810	0.3
84.08167	0.5
85.02889	0.4
86.09707	2.1
91.05484	0.5
93.20543	0.3
94.04171	0.4
105.07059	0.4
107.04972	0.5
109.34711	0.4
117.06978	0.6
119.56490	0.4
122.03656	1.6
133.06477	0.4
137.05983	100.0
143.04951	2.6
145.02802	0.5
145.06502	1.7
147.31688	0.4
151.03943	2.3
155.05978	0.4
161.09631	0.4
167.07042	8.8
173.05969	5.3
175.07573	0.7
177.05528	0.6
181.04964	15.9
189.12602	0.4
205.08598	2.9
207.06523	0.6
207.13750	0.8
232.02562	0.4
235.09662	1.7
312.59576	0.5
357.13455	6.1
387.14368	48.5
387.22501	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	387.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67284	0.3
62.85682	0.3
69.03418	0.5
72.08158	3.8
81.03421	0.6
84.08159	0.4
86.09710	2.6
88.27098	0.4
91.05473	0.4
92.20945	0.7
95.70905	0.3
99.04458	0.4
105.07056	0.7
107.04937	0.9
109.02064	0.3
109.65221	0.4
117.07005	0.8
120.70673	0.4
122.03653	1.6
129.10219	1.3
137.05980	100.0
137.37267	0.3
143.04953	2.9
145.06519	2.8
147.04416	0.4
147.08066	0.5
151.03941	2.2
153.05579	0.5
163.11174	0.6
167.07030	16.7
171.04419	0.4
171.06491	0.5
173.05966	5.7
175.03960	1.9
175.07533	0.6
179.70595	0.4
181.04939	15.3
191.06989	0.7
203.07039	0.6
205.08585	3.2
207.06522	2.8
207.13855	0.5
233.08086	0.8
235.09747	1.4
249.09041	0.5
283.07980	0.4
357.13315	5.3
387.14386	47.2
387.19693	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	387.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06596	2.0
70.19810	0.9
77.86629	0.9
79.94498	1.1
81.03432	1.4
85.02925	2.3
86.09722	4.0
91.05547	1.5
95.08629	2.0
105.07070	2.1
107.08571	1.3
119.08586	1.0
123.08037	1.5
127.03931	1.3
137.06010	2.4
147.11809	1.2
151.07556	1.9
157.13554	1.1
158.05840	1.1
160.81221	0.9
161.09634	1.1
189.12660	1.2
206.04248	59.3
206.11833	6.3
207.12158	7.7
207.13890	4.2
216.34361	1.0
220.05815	1.9
221.06638	6.7
225.15009	1.6
234.07364	26.3
253.09912	1.7
267.14612	1.0
281.09256	6.2
309.08798	7.3
319.07281	1.3
355.09537	6.4
387.15396	100.0
387.20016	14.7
411.17340	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	387.1624
Annotation	Thioridazine 5-sulfoxide
Peak:m/z	Relative Intensity
52.10230	0.3
54.52997	0.3
69.03442	0.5
69.59789	0.4
72.08161	2.7
76.05137	0.4
81.03418	0.5
85.02910	0.7
86.09707	0.7
93.07076	0.4
93.12579	0.4
96.05624	0.5
105.07061	0.6
107.08597	0.7
109.10161	0.5
109.92429	0.4
119.08548	2.0
123.08054	3.5
124.27299	0.4
133.10242	0.5
135.08064	0.6
139.42802	0.5
147.08090	0.5
147.11731	1.7
159.11676	1.0
161.13260	0.9
171.14902	0.7
177.09920	0.5
189.12730	0.9
193.12282	0.8
194.08089	0.4
207.13776	5.8
215.25050	0.5
225.11002	2.4
225.14911	1.9
243.10753	4.2
266.75955	0.5
270.59454	0.5
273.09460	1.5
387.16260	100.0
387.21506	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	387.18
Annotation	Burseran
Peak:m/z	Relative Intensity
50.01615	0.3
51.02372	0.3
51.98762	0.2
53.03951	0.2
59.48727	0.2
64.66544	0.2
65.18007	0.3
69.03419	1.3
77.03902	0.3
79.05491	1.9
81.03400	0.3
91.05468	0.3
93.07053	1.3
94.80667	0.3
95.04984	0.4
103.05454	1.5
105.07036	100.0
111.04412	0.3
119.04939	1.8
121.06517	2.9
129.05469	0.3
130.20573	0.3
139.77730	0.3
250.40672	0.3
310.41922	0.3
334.35251	0.4
360.02127	0.3
361.61441	0.3
387.17911	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	387.18
Annotation	Burseran
Peak:m/z	Relative Intensity
64.09016	0.2
65.23753	0.2
69.03417	0.5
79.05491	1.4
81.03413	0.4
92.27541	0.2
93.07034	1.1
103.05478	0.5
105.07040	100.0
108.79850	0.3
119.04951	1.8
121.06509	1.3
138.95879	0.2
214.32457	0.3
295.32028	0.2
387.17981	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	387.1799
Annotation	Burseran
Peak:m/z	Relative Intensity
51.02385	0.1
54.68238	0.1
57.36523	0.1
59.65285	0.1
66.66596	0.1
68.62402	0.1
69.00165	0.1
69.03437	0.9
79.05505	2.1
80.32040	0.1
81.03421	0.3
83.04975	0.2
85.27055	0.1
87.21889	0.1
91.05521	0.1
93.07050	0.8
95.04977	0.7
98.97533	0.1
103.05459	1.0
105.07036	100.0
119.04945	1.6
121.06512	1.7
129.05515	0.2
176.49585	0.2
211.84052	0.1
237.90385	0.1
255.20210	0.2
270.60355	0.1
282.77362	0.1
305.18454	0.2
357.41870	0.1
387.18155	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	387.2012
Annotation	Citroside B
Peak:m/z	Relative Intensity
54.87569	1.5
55.05527	2.8
57.07084	3.1
60.50045	1.5
67.05502	11.3
69.07041	2.1
70.06591	3.5
72.08153	8.5
75.95135	1.5
79.05462	2.2
81.07066	3.4
83.04982	1.9
84.08134	3.1
85.02882	3.6
85.06543	16.0
86.09723	21.8
91.05528	1.6
93.07048	3.4
95.04958	3.3
95.06144	1.8
95.08607	93.7
97.02890	2.0
105.07043	10.8
107.08578	13.6
109.10136	2.2
111.05553	3.9
113.06023	13.0
119.08570	22.0
120.08128	2.9
121.06595	2.2
121.08453	2.1
121.10162	9.2
123.05582	2.1
123.08064	51.6
123.11725	2.5
125.38245	1.5
129.10214	2.1
133.10172	2.2
135.11691	17.6
136.07610	2.0
137.09641	2.6
141.06587	7.1
141.09111	1.9
144.57544	1.8
147.08002	3.2
147.11668	8.1
149.08488	2.5
149.09608	32.9
151.07576	2.5
151.11256	2.0
151.14851	3.9
159.11649	1.8
160.07156	1.6
161.09477	2.5
161.13235	17.3
163.11185	9.2
165.09073	1.9
165.12746	8.1
171.11655	1.5
177.05450	2.7
177.10133	1.8
179.14246	2.0
189.12772	16.1
192.92307	1.8
207.13795	100.0
225.14847	10.4
281.70200	1.7
323.19638	2.2
339.19232	6.2
369.20212	10.8
387.12613	1.8
387.16092	26.2
387.21805	18.4
387.26443	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	387.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.6
56.05031	1.4
60.05659	0.6
67.05495	1.0
70.06586	2.8
72.04514	5.2
72.08150	4.9
74.02447	0.8
74.06088	1.0
76.05135	26.9
79.05486	1.0
81.03429	13.6
81.07063	1.5
83.04981	1.3
83.08637	6.6
86.09724	10.6
87.77386	0.7
91.05482	1.5
92.20958	0.8
93.07069	1.0
95.04971	6.2
96.05635	5.8
97.06405	0.7
97.10172	0.9
98.07245	0.9
105.07043	3.4
105.10139	0.7
107.04929	1.2
107.08557	1.0
109.06516	1.2
109.10139	0.9
109.79140	0.6
111.08091	3.5
118.05033	11.5
119.08565	1.2
120.06583	1.0
121.10119	0.9
129.07045	1.1
129.10239	0.7
131.08525	1.1
133.10141	3.0
135.07681	1.1
137.09586	1.1
147.08026	0.8
147.11700	4.0
149.09621	0.9
152.72495	0.7
157.10110	4.5
157.13287	0.7
159.08768	0.9
160.07173	20.5
161.05980	0.6
161.09608	2.7
165.09056	0.9
167.03398	1.4
175.11145	5.1
176.49965	0.8
177.09839	24.0
185.12825	1.0
193.12238	18.7
211.13297	11.8
250.34506	0.6
286.17667	2.7
387.22363	100.0
400.37714	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64682	0.9
60.05642	1.2
69.24342	1.1
70.06553	0.9
72.04504	5.1
76.05131	21.0
81.03420	11.9
81.07076	1.1
83.08620	5.0
90.05667	1.1
91.05437	1.4
95.04964	2.1
96.05621	18.2
98.07207	1.3
109.10211	1.4
110.57112	1.1
111.08100	2.0
118.05016	6.2
119.08581	1.2
120.06591	1.5
131.08495	1.1
133.06499	1.4
135.07686	1.6
147.11720	2.1
157.10091	2.2
159.08766	1.5
160.07137	11.5
162.50972	1.1
174.21251	1.1
175.11192	2.6
177.09801	9.3
193.12206	15.5
211.13277	8.6
214.13382	1.2
231.68988	1.1
235.78513	1.1
286.17654	11.3
342.20337	1.2
387.22354	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94426	0.7
58.77822	0.7
60.05659	0.7
67.05507	1.3
69.07019	1.0
72.04523	3.7
74.02438	1.2
75.75726	0.7
76.05130	20.4
81.03423	14.2
81.07051	1.0
83.08620	6.8
91.05471	1.1
93.07032	0.9
95.04968	4.1
96.05616	18.7
97.06416	1.5
98.07156	1.0
102.05559	1.2
105.07005	1.6
109.10112	1.0
111.08041	2.0
118.05036	8.9
119.08597	0.9
120.06536	1.2
131.08542	1.5
133.10152	1.4
135.07703	1.3
147.11674	3.5
157.10149	4.3
159.08685	1.3
160.07144	12.0
171.44275	0.9
175.11156	7.0
177.09796	11.6
193.12218	18.9
211.13254	11.7
232.14491	1.6
273.61823	1.0
286.17557	12.4
387.16879	3.2
387.22354	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2714
Annotation	Arg Val Leu
Peak:m/z	Relative Intensity
58.03951	0.5
60.05655	9.2
70.06594	60.0
71.04996	4.4
72.08159	14.8
73.28029	0.6
84.08140	0.7
84.38436	0.5
86.09692	4.0
86.39054	0.6
88.07639	5.1
98.06037	0.9
112.08723	17.9
113.07159	0.5
115.08707	4.6
116.07086	2.6
116.31225	0.6
116.32297	0.6
132.10156	0.6
136.25133	0.5
140.08180	5.7
142.65085	0.6
156.12477	0.7
156.26137	0.6
157.10811	7.2
168.14986	2.3
169.13348	16.2
175.11899	4.2
194.12878	3.0
196.14497	4.5
197.12944	1.0
211.15536	32.1
214.15561	1.2
215.13887	0.7
222.12479	0.8
228.18176	4.8
231.16901	0.9
239.15005	0.6
254.39742	0.7
256.17688	2.4
257.16101	9.9
274.18762	12.5
370.24451	3.8
387.27118	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
55.01877	6.3
55.05518	16.4
56.84436	1.2
57.03434	8.2
57.07070	1.8
60.69981	1.2
67.05181	2.0
67.05511	39.8
69.07074	15.8
71.04993	25.0
71.08605	2.7
79.05500	18.8
81.03407	5.0
81.07063	39.9
83.04980	8.5
83.08607	10.2
85.02431	2.3
85.02912	49.0
85.06544	5.6
91.05483	26.5
93.07043	33.6
95.04972	6.7
95.08606	17.4
97.06525	7.6
97.10169	13.2
99.08103	2.1
105.07035	94.5
107.08606	33.1
109.06507	5.2
109.10159	38.5
111.04422	1.6
111.08092	6.8
113.06018	1.3
117.07044	2.1
119.08584	15.4
121.06512	2.4
121.10094	11.3
123.08085	2.0
123.11729	7.2
123.99619	1.2
125.09624	8.5
127.07545	1.4
130.09262	1.2
131.08615	2.1
133.10123	41.4
133.11060	2.5
135.11671	13.4
137.09631	5.8
147.11624	5.7
149.09660	1.5
149.13268	14.5
151.11185	20.9
153.12741	9.5
159.11662	2.8
161.13295	2.0
165.12712	1.6
167.10666	8.6
167.14238	2.3
169.12209	1.3
177.12686	6.5
179.14270	1.7
195.13855	18.5
214.65822	1.5
253.14339	2.6
259.20432	1.6
269.17468	100.0
271.15451	7.2
277.21591	22.6
351.25266	35.8
369.26263	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	387.274
Annotation	6-Deoxyerythronolide B
Peak:m/z	Relative Intensity
55.01871	6.0
55.05523	28.1
57.03432	11.2
57.07076	7.6
67.05516	56.8
67.05853	5.0
69.07072	30.5
71.08637	24.4
76.05116	5.5
79.05512	25.9
79.22675	2.9
81.03461	3.1
81.07070	50.6
83.04996	5.5
83.08628	35.5
85.06575	3.8
85.10180	16.0
91.05471	21.5
93.07062	39.5
95.04946	16.1
95.08588	37.9
97.06541	16.1
97.10175	28.0
99.08090	15.3
105.07052	20.5
107.04987	4.6
107.08595	35.3
108.59988	3.0
109.06520	3.9
109.10168	36.5
111.08063	21.7
113.09639	6.8
119.08546	23.2
121.10128	23.3
123.08071	3.5
123.11713	15.2
125.09597	12.7
133.10152	20.2
135.11699	16.6
137.09639	12.5
139.11208	4.9
141.09148	2.9
145.10109	5.7
147.11700	15.5
149.09607	5.1
149.13235	5.8
151.11176	15.2
153.12762	5.3
161.13254	7.5
163.11198	7.4
165.12752	29.4
175.14977	3.5
199.55566	3.2
229.14348	20.9
241.19577	3.9
249.22112	3.9
259.20609	5.1
269.17450	12.3
273.09155	4.0
277.21613	68.0
294.21454	6.5
295.22699	26.6
312.22467	13.5
351.25256	80.6
369.26321	100.0
387.26944	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	388.16
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19069	0.2
55.01859	0.4
60.13398	0.2
61.02954	0.3
69.03435	2.6
71.05006	0.4
73.02918	0.4
79.05492	2.2
81.03423	1.1
85.02906	8.0
87.00822	3.3
87.04483	0.3
91.03974	0.2
91.05511	0.3
92.21398	0.4
95.04984	0.4
97.02890	4.1
99.04452	1.4
103.05470	1.9
105.01874	9.3
105.07035	100.0
108.04497	0.5
109.02892	2.5
109.40420	0.3
115.03946	0.3
119.08563	0.4
122.09668	1.0
127.03908	8.6
131.08611	0.2
143.08620	0.4
145.04947	4.3
159.02928	1.6
159.08101	0.3
171.08057	0.3
173.13312	0.3
191.14359	0.4
195.08070	0.3
213.03940	0.3
213.09093	1.0
231.04929	4.8
231.10170	0.3
249.06049	5.8
317.10376	0.4
335.11041	0.9
388.16141	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	388.16
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19069	0.2
55.01859	0.4
60.13398	0.2
61.02954	0.3
69.03435	2.6
71.05006	0.4
73.02918	0.4
79.05492	2.2
81.03423	1.1
85.02906	8.0
87.00822	3.3
87.04483	0.3
91.03974	0.2
91.05511	0.3
92.21398	0.4
95.04984	0.4
97.02890	4.1
99.04452	1.4
103.05470	1.9
105.01874	9.3
105.07035	100.0
108.04497	0.5
109.02892	2.5
109.40420	0.3
115.03946	0.3
119.08563	0.4
122.09668	1.0
127.03908	8.6
131.08611	0.2
143.08620	0.4
145.04947	4.3
159.02928	1.6
159.08101	0.3
171.08057	0.3
173.13312	0.3
191.14359	0.4
195.08070	0.3
213.03940	0.3
213.09093	1.0
231.04929	4.8
231.10170	0.3
249.06049	5.8
317.10376	0.4
335.11041	0.9
388.16141	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	388.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	2.7
54.88604	1.0
55.01883	7.8
57.03441	4.2
61.02925	5.7
61.46403	0.9
62.51503	1.0
69.03431	25.4
71.05002	1.7
73.02924	5.9
75.11668	1.1
81.03425	17.0
85.02908	100.0
85.11578	1.0
87.00832	37.8
90.77822	1.1
97.02889	32.0
99.00883	1.0
99.04472	18.0
104.18818	1.1
104.94769	1.0
105.01871	69.5
105.07043	20.3
108.04456	1.3
109.02885	32.4
119.08577	2.3
121.88549	1.1
127.03914	80.9
129.01805	5.3
145.02966	3.9
145.04971	35.5
147.02852	2.7
147.08121	1.2
147.11615	1.8
159.02904	18.2
165.12631	1.5
166.13019	1.2
177.05453	18.2
189.03880	2.4
207.13857	2.2
208.14067	4.6
209.08115	5.9
213.09097	1.5
230.06586	1.4
231.05011	30.7
248.07565	2.1
249.06052	22.8
353.12381	1.5
388.15939	23.9
388.20407	4.8
388.24554	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	388.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18356	1.5
56.05042	43.8
64.35224	1.6
67.05499	7.0
67.89962	1.5
68.66521	1.5
69.03434	2.0
69.07076	3.6
71.04996	1.7
72.04521	100.0
74.06053	1.8
81.03394	2.0
81.07054	30.5
83.08624	3.4
85.02877	6.3
86.09705	7.0
89.07141	14.3
91.05496	14.8
93.07036	4.3
95.08584	3.1
100.07609	2.4
101.02381	9.3
105.07026	13.6
107.08609	11.7
109.02894	3.8
109.06512	1.9
110.24644	1.6
110.40696	1.6
114.09161	2.2
115.05056	2.6
117.06607	94.6
118.04993	32.1
119.03411	21.8
119.08571	11.4
121.10121	17.7
123.11720	28.6
127.03902	4.0
127.07573	2.2
135.07649	55.7
135.98936	1.9
137.05998	2.9
137.13287	2.4
138.89224	1.7
141.09337	1.7
147.11682	62.5
157.10202	2.0
161.05560	31.1
164.14355	3.9
165.12733	38.1
168.13701	1.7
175.11212	2.2
178.08261	31.4
181.05038	1.7
182.15395	37.4
193.12321	2.8
210.14882	49.7
228.15808	2.8
281.18588	3.7
294.16888	3.0
309.18076	66.2
312.18094	3.3
325.94379	2.1
327.19147	73.4
345.20236	42.6
352.18582	7.8
370.19781	16.9
388.20502	24.4
388.24573	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	388.219
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77489	2.6
56.05057	4.8
56.38665	2.7
56.75510	2.8
56.97670	2.2
60.04527	3.0
66.52678	2.6
70.06605	23.1
72.08157	37.1
83.06116	46.5
84.04509	99.0
84.04962	4.6
84.08170	18.1
86.09225	3.3
86.09708	100.0
86.10188	4.9
88.02229	25.9
89.07164	6.8
90.05548	3.3
90.19949	2.8
98.06067	4.6
101.07158	30.4
106.02938	3.2
112.08807	3.0
116.07106	12.6
120.04460	66.4
124.03967	3.4
127.08678	4.5
128.08203	35.8
129.06599	70.7
129.10210	35.1
130.05032	20.5
132.10179	21.8
138.09203	3.4
140.07092	3.5
141.06622	4.3
143.11835	3.6
144.06630	7.1
146.09296	5.5
147.07646	34.1
155.08167	4.4
161.09215	6.6
164.04675	3.4
166.04877	3.2
167.08154	5.5
170.37604	3.0
182.12915	3.2
183.11319	6.5
184.42538	3.4
186.12343	3.1
191.04979	5.6
193.28648	3.2
195.07768	5.9
196.14598	5.0
197.12886	26.1
200.10368	7.1
211.11877	22.0
214.11928	4.6
239.11459	4.7
240.09740	31.8
242.15050	15.7
243.13443	17.8
257.12625	3.5
260.16275	3.4
299.17224	5.2
313.18768	3.5
370.20880	61.6
371.19193	22.7
388.11429	12.2
388.21658	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	388.219
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77489	2.6
56.05057	4.8
56.38665	2.7
56.75510	2.8
56.97670	2.2
60.04527	3.0
66.52678	2.6
70.06605	23.1
72.08157	37.1
83.06116	46.5
84.04509	99.0
84.04962	4.6
84.08170	18.1
86.09225	3.3
86.09708	100.0
86.10188	4.9
88.02229	25.9
89.07164	6.8
90.05548	3.3
90.19949	2.8
98.06067	4.6
101.07158	30.4
106.02938	3.2
112.08807	3.0
116.07106	12.6
120.04460	66.4
124.03967	3.4
127.08678	4.5
128.08203	35.8
129.06599	70.7
129.10210	35.1
130.05032	20.5
132.10179	21.8
138.09203	3.4
140.07092	3.5
141.06622	4.3
143.11835	3.6
144.06630	7.1
146.09296	5.5
147.07646	34.1
155.08167	4.4
161.09215	6.6
164.04675	3.4
166.04877	3.2
167.08154	5.5
170.37604	3.0
182.12915	3.2
183.11319	6.5
184.42538	3.4
186.12343	3.1
191.04979	5.6
193.28648	3.2
195.07768	5.9
196.14598	5.0
197.12886	26.1
200.10368	7.1
211.11877	22.0
214.11928	4.6
239.11459	4.7
240.09740	31.8
242.15050	15.7
243.13443	17.8
257.12625	3.5
260.16275	3.4
299.17224	5.2
313.18768	3.5
370.20880	61.6
371.19193	22.7
388.11429	12.2
388.21658	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	388.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07792	1.0
55.29143	0.9
68.55159	1.0
69.03436	2.0
75.76528	1.0
76.64655	1.0
81.07058	2.6
85.02914	1.8
91.05513	1.6
92.21275	1.4
107.08585	9.1
109.06526	2.6
109.10180	1.0
114.09145	1.9
121.10151	6.6
133.10135	100.0
135.08054	12.5
135.11687	1.3
137.09622	74.1
147.11705	1.7
149.13290	11.1
151.38350	1.2
163.14801	2.2
173.13260	5.6
191.14319	60.8
208.14076	4.6
209.15334	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	388.254
Annotation	Unknow
Peak:m/z	Relative Intensity
65.76006	0.7
76.05114	1.5
87.04449	1.8
89.06038	100.0
91.51917	0.9
96.05612	1.0
107.54215	0.9
133.08618	32.3
153.66014	0.9
169.50285	1.0
177.11224	12.6
221.13951	1.9
245.43738	1.0
283.17514	3.2
327.20050	1.4
371.22772	77.9
388.21945	12.3
393.79584	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	388.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05046	4.2
60.05656	4.4
69.23996	1.6
69.24419	1.9
70.06590	13.7
72.04497	2.5
72.08141	10.5
74.02422	1.9
74.06077	9.9
76.05119	10.9
79.05494	3.3
80.04994	1.8
81.03399	2.8
81.07060	3.1
83.08636	1.9
83.12637	1.8
84.04494	3.2
84.08139	7.4
86.09694	21.1
91.05475	2.2
96.05610	30.0
98.92616	1.8
108.05575	1.9
110.07157	8.2
116.08215	4.4
118.05019	1.8
119.08593	1.8
120.06500	1.9
122.07143	3.4
124.11239	2.1
129.10225	3.5
129.24019	2.0
135.07852	2.0
135.11725	2.4
136.07613	2.6
136.85352	1.8
145.10088	2.0
154.12231	2.7
160.07152	4.1
163.11197	2.4
176.82851	1.6
177.09793	2.5
180.13806	6.8
185.16475	2.8
186.16820	2.4
187.15022	1.9
192.15025	2.1
205.13425	2.4
214.16196	2.7
220.14381	16.3
238.15445	2.1
239.18532	2.1
255.18147	37.4
287.20782	1.9
356.18619	3.2
356.22888	52.8
370.24246	2.4
388.25882	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80674	4.3
55.05519	7.1
67.05515	40.0
69.07065	20.8
71.05012	4.8
79.05487	26.0
81.07058	98.3
83.08621	20.8
91.05477	30.0
93.07047	42.4
95.08610	25.2
97.06529	10.3
105.07040	22.7
107.08588	30.7
109.10139	11.3
112.43690	4.4
117.06976	17.5
119.08569	10.6
121.10143	8.1
123.11683	4.9
123.33454	5.0
131.08597	12.0
133.10127	34.8
135.11690	21.7
144.74530	4.5
145.10146	7.2
147.11656	12.0
149.09572	9.8
149.13258	44.6
158.33214	5.1
159.11722	20.5
163.11200	6.5
173.11809	6.1
195.13821	63.9
213.14828	86.7
219.15231	5.6
257.19098	19.2
275.20074	100.0
293.21106	42.5
382.32071	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	388.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20355	2.1
55.05521	4.3
57.03429	9.7
58.55255	2.4
63.03632	2.2
67.05507	23.9
69.03432	5.6
69.07076	15.0
71.05002	6.8
74.31551	2.8
79.05490	15.0
81.07053	53.2
83.08610	5.8
85.06538	6.9
91.05484	5.3
93.07053	40.4
95.08607	52.7
97.06530	3.2
100.53732	2.7
104.74340	3.5
105.07034	85.7
106.07377	38.8
107.08587	27.9
109.10145	12.4
115.07609	4.2
117.07050	3.2
119.08560	21.1
121.10147	18.7
131.08589	16.0
133.10121	18.7
135.11685	5.3
145.10117	16.0
147.11655	20.9
149.09587	11.9
157.10127	4.4
159.11676	14.0
161.09554	3.0
161.13290	5.2
173.13260	14.1
175.14697	3.4
185.13292	17.2
187.14870	4.7
191.14154	3.4
203.14233	4.6
205.15871	4.8
209.15364	5.3
219.17497	12.4
221.15340	14.3
223.16882	19.6
235.16782	5.0
257.18985	15.2
273.84494	2.9
275.20056	100.0
275.22885	6.0
293.21112	36.8
388.31015	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	388.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03959	2.1
55.05523	6.8
56.37021	2.7
57.03434	4.0
63.18610	2.7
67.05512	49.5
69.07061	28.5
79.05501	18.5
81.03432	2.8
81.07063	100.0
83.08628	25.6
85.06551	5.7
91.05482	18.5
92.21243	9.4
93.07043	48.4
95.04964	5.2
95.08607	33.0
97.06525	11.3
97.10143	5.3
99.08082	4.9
105.07047	22.7
106.18035	2.8
107.08597	36.8
109.06530	4.9
109.10149	30.9
111.08065	3.2
113.27617	2.7
114.36858	3.0
117.07030	10.9
119.08599	20.3
121.10106	22.6
123.11729	6.6
123.84852	3.1
131.08583	13.4
133.10132	29.3
135.11691	17.0
145.10106	6.6
147.11711	18.5
149.09618	12.6
149.13258	33.1
151.11252	5.0
155.10680	17.9
157.64835	3.2
159.11736	22.1
163.11264	2.9
173.11742	26.9
173.13197	8.0
177.12730	12.4
195.13802	46.1
213.14836	69.1
237.71187	2.9
257.19009	3.6
275.20050	81.2
293.21167	40.7
358.57648	3.2
370.26584	5.8
381.16885	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	388.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	7.9
55.05519	14.9
57.03443	26.4
59.05014	5.6
59.83025	5.3
65.90298	5.5
67.05509	70.5
69.03419	9.7
69.07062	42.1
71.04993	54.4
73.06557	12.4
73.65231	6.2
74.06072	7.3
79.05499	27.5
79.69068	6.7
81.07074	67.7
82.54083	5.7
83.04973	12.0
83.08608	6.4
83.70895	5.4
85.02901	13.7
85.06532	26.2
88.07667	6.6
89.48856	5.7
91.05491	49.0
93.07047	73.4
95.04958	14.9
95.08599	51.2
97.06522	64.2
99.08089	30.5
102.09163	7.2
105.07042	34.7
107.08595	39.8
109.06522	32.3
109.10169	79.4
111.08086	25.3
115.07562	8.9
117.07006	9.0
119.08566	43.6
121.10151	11.9
123.11744	7.7
127.07536	29.0
129.07053	10.1
131.08595	11.5
133.10141	100.0
135.07976	7.6
137.09621	77.9
143.08571	8.3
146.69022	6.2
147.11723	6.5
149.09628	7.6
151.11157	39.7
157.10112	12.8
159.10132	9.0
159.11699	8.7
161.09662	8.6
173.84927	6.1
179.10733	7.2
183.13806	11.2
201.14809	15.2
271.17020	14.9
278.85553	6.8
289.17914	34.4
307.18875	6.4
307.22891	6.6
321.20517	57.0
322.31070	14.2
339.21741	13.5
347.20972	14.6
353.23135	12.8
370.33224	11.7
388.28729	9.7
388.34244	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	388.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33354	0.2
55.92453	0.2
57.07076	0.3
71.08277	0.4
71.08635	7.2
83.93883	0.2
88.07625	0.3
89.96032	0.2
94.56728	0.3
99.08094	4.7
105.07023	0.2
108.08129	0.4
122.08107	0.3
122.86603	0.3
143.10678	100.0
156.70348	0.3
171.13779	1.8
242.24800	1.0
267.73419	0.3
315.52853	0.3
354.75842	0.3
385.51883	0.3
388.34229	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	389.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15359	0.2
55.05524	0.2
60.04515	0.2
61.63095	0.2
63.82339	0.2
65.54267	0.2
68.99777	0.2
69.03431	0.4
69.07094	0.2
70.06591	0.4
70.69751	0.2
71.05016	0.2
72.08159	7.2
73.02911	0.2
81.03410	1.1
84.08142	2.7
85.02922	2.1
86.09707	7.9
87.00829	0.9
90.32293	0.2
97.02887	1.0
98.03702	0.2
99.04464	0.3
102.05568	0.3
105.01860	0.4
109.02883	1.6
120.06545	0.3
120.08089	0.2
123.04395	0.3
126.03100	0.3
127.03908	1.3
129.10275	2.5
133.70532	0.2
137.06013	0.4
141.05464	100.0
143.11792	1.0
145.04955	0.3
152.23280	0.2
159.02916	0.9
159.11313	2.4
161.09227	0.3
165.05478	1.7
171.11320	0.3
183.06519	1.0
187.10774	0.4
189.12392	0.4
201.12395	0.3
203.13820	0.8
207.06487	0.3
237.35385	0.2
249.07646	0.5
270.18109	0.3
282.18280	0.3
350.89139	0.2
357.10657	0.3
363.97186	0.2
389.14032	1.3
389.23972	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	389.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.6
67.83842	1.3
69.03431	1.2
70.06588	5.3
71.04988	1.4
72.08163	44.4
74.06081	1.7
81.07061	3.1
83.08576	1.4
84.04515	1.8
84.08126	4.8
85.02885	1.8
85.67914	1.3
86.09708	28.5
90.15141	1.2
93.07050	1.7
95.08522	1.2
101.07132	1.7
103.83759	1.6
109.06513	2.2
116.07121	1.6
123.08006	3.1
127.03935	1.5
129.10255	5.4
133.38101	1.5
137.05986	3.3
138.09111	1.7
139.01866	1.2
141.09129	5.0
143.11778	7.9
147.04395	1.8
156.10158	1.9
162.06766	1.6
165.04077	1.3
171.11241	3.0
173.12869	17.8
184.89479	1.4
187.14432	2.2
189.12349	7.5
201.12401	5.8
203.81554	1.3
211.10918	1.4
214.15681	1.4
219.13385	6.1
270.18234	2.7
300.19189	1.4
310.15628	1.3
313.11563	11.2
357.10553	41.5
369.13901	1.4
371.23108	2.4
389.13199	100.0
389.18048	11.1
389.24655	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	389.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57017	1.3
55.01880	27.7
61.17131	1.4
63.78492	1.5
65.03952	1.4
69.80154	1.2
83.40655	1.3
84.87270	1.2
85.02914	1.6
89.76684	1.4
95.08646	1.5
103.05479	5.0
107.04961	7.5
114.09180	6.0
121.06527	1.8
124.99438	1.4
129.06993	2.2
131.04936	14.4
137.05959	24.3
145.06511	1.8
149.06007	8.6
153.05470	3.1
157.06528	6.8
160.05096	1.8
163.03888	1.7
163.07533	9.0
167.07018	18.6
175.07506	10.2
177.05453	28.7
181.04951	100.0
189.09114	7.2
199.07544	1.6
209.08105	26.6
217.08676	2.3
235.09718	2.2
249.09270	2.6
250.36497	1.4
261.09125	2.7
264.34427	1.4
277.08636	7.7
278.09360	2.9
293.07623	1.5
294.59869	1.4
309.11258	2.1
321.11514	2.8
324.85077	1.5
329.13953	2.4
339.12323	5.3
371.14929	15.7
389.15939	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	389.217
Annotation	Rehmaionoside C
Peak:m/z	Relative Intensity
55.01883	7.1
55.05522	5.5
55.93003	1.2
58.06615	2.5
62.44877	1.3
62.97572	1.4
65.68797	1.5
67.05511	2.1
69.03438	7.0
69.07080	2.0
70.06587	7.8
72.08163	9.0
79.05471	1.3
81.03387	2.3
81.07036	2.0
83.04988	3.3
83.08607	2.1
84.08149	2.8
85.02888	3.6
85.06521	1.6
85.35310	1.3
86.09712	21.4
90.38400	1.4
93.07041	2.0
95.04960	1.8
95.08602	6.2
96.03463	1.4
97.06544	1.8
97.10177	8.9
99.08090	5.7
107.08592	12.8
109.06509	2.7
109.10168	2.2
111.08089	3.4
120.70263	1.8
121.06499	2.7
121.10117	12.7
121.86356	1.5
125.09629	64.5
127.07601	2.5
129.10239	3.6
131.04948	6.9
131.08560	1.7
133.10144	2.5
135.08064	5.4
137.05995	6.3
137.09653	2.8
137.32191	1.5
143.11819	2.3
147.11705	1.7
149.06033	1.7
149.09621	55.1
149.13222	6.7
151.11189	14.0
153.09106	15.4
157.06494	2.0
163.14813	8.2
167.06955	5.3
171.06548	1.6
173.13191	1.7
175.07549	2.2
177.05475	8.5
181.04950	25.9
189.09476	1.3
191.14294	24.2
209.08046	6.1
209.15378	100.0
224.41541	1.6
227.16380	21.8
258.14648	2.1
345.14984	2.0
389.14526	23.5
389.23022	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	389.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83633	0.6
57.61219	0.6
58.06632	0.8
62.53677	0.5
67.05504	1.5
67.63398	0.6
71.34788	0.7
73.06547	1.0
81.07061	1.3
81.77611	0.6
83.77724	0.7
86.06091	1.0
92.20838	0.7
93.59547	0.7
95.08636	1.3
96.08936	0.6
109.10145	0.8
119.08580	0.8
120.56093	0.7
122.77950	0.6
126.45024	0.8
138.09999	1.1
202.15215	1.3
262.18738	0.8
274.97852	0.7
381.62299	0.8
389.22974	100.0
389.31073	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	389.2295
Annotation	5-trans Latanoprost(free acid)
Peak:m/z	Relative Intensity
52.61055	0.7
52.75090	0.6
55.97008	0.7
58.09034	0.6
60.97499	0.8
80.53371	0.8
81.05616	1.0
124.27055	0.9
195.82326	1.0
266.41473	0.9
389.22968	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	389.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55734	1.0
66.42200	1.0
72.09348	1.1
76.96144	1.1
81.07089	1.0
151.57182	1.2
153.24448	1.2
235.15273	1.3
246.07343	1.1
348.15512	2.8
366.16647	6.8
389.22964	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2297
Annotation	5-trans Latanoprost(free acid)
Peak:m/z	Relative Intensity
56.39422	0.5
58.41623	0.5
139.80177	0.6
165.39088	0.6
233.83366	0.7
389.22995	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.5
56.04636	0.3
56.13357	0.3
57.06832	0.3
57.07084	7.8
57.08698	0.3
69.06702	0.4
69.07072	11.1
71.08633	10.0
78.95499	0.3
111.11713	1.5
121.02859	0.5
143.10658	6.8
144.10966	3.0
149.02339	100.0
163.03918	0.8
167.03377	12.6
184.05565	0.4
188.90179	0.4
210.94101	0.4
211.70605	0.4
259.13260	0.7
279.15820	3.3
349.31131	0.5
372.30054	1.7
377.09399	0.4
389.26865	1.3
389.33151	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	389.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41316	2.6
55.05526	37.0
57.07085	56.2
59.03738	4.2
67.05513	36.3
69.07072	83.7
71.04995	3.2
71.08629	55.5
72.04501	14.7
79.05489	6.9
81.07059	88.5
81.07504	6.9
83.08620	74.3
85.06543	7.9
85.10191	20.6
86.06094	3.3
91.05506	11.4
92.98106	3.5
93.07047	22.6
95.08607	91.3
96.59779	3.0
97.06511	8.4
97.10182	63.8
105.07043	8.1
107.08597	20.9
109.10159	46.9
111.08075	6.7
111.11728	27.2
119.08585	16.0
119.16711	3.4
121.10113	25.5
123.08110	4.6
123.11709	20.8
125.13227	4.0
133.10095	16.1
135.11702	19.1
137.13277	7.6
147.11664	18.5
149.13194	6.0
151.11180	4.0
155.14319	5.4
161.13217	14.9
165.12646	4.2
173.16890	3.8
179.14323	4.5
184.16974	6.3
193.15863	6.7
200.16330	6.2
231.82518	4.0
273.25757	18.2
291.26834	39.0
308.29385	36.8
309.27884	13.9
326.30499	100.0
327.28946	68.6
329.29996	3.7
347.21759	5.4
348.22290	64.5
356.37592	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	390.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98748	0.2
56.96591	0.2
57.07082	0.4
61.92502	0.2
64.78477	0.2
67.05529	0.8
68.05811	0.2
69.07063	0.6
73.32894	0.2
79.05498	0.4
81.07048	0.6
91.05522	0.2
93.07053	0.2
95.08624	0.5
95.54766	0.2
96.08907	0.3
109.10138	0.3
121.16857	0.3
122.10352	0.3
138.00615	0.3
140.35835	0.3
225.43839	0.3
243.09111	0.3
255.09073	1.5
273.10098	1.0
280.23489	0.3
304.09451	0.5
318.07596	8.6
319.08502	0.3
331.15878	1.2
332.09122	4.9
333.09958	8.1
349.16882	3.7
354.27185	1.3
362.17361	1.7
367.17941	2.7
372.28238	1.2
390.16989	100.0
392.54907	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	390.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59759	0.2
57.58722	0.2
63.31647	0.2
69.89981	0.3
70.50826	0.2
83.75649	0.3
94.98967	0.3
159.63704	0.3
241.07498	1.3
242.57434	0.3
255.09067	1.7
256.26270	0.4
259.08453	0.4
269.15717	0.3
284.79071	0.3
303.08945	0.3
304.09653	0.4
305.10663	1.2
318.07645	8.3
319.08502	0.3
332.09097	3.2
333.09949	10.0
349.16809	1.1
362.17523	1.8
367.17841	1.2
390.17001	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	390.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93717	0.4
55.05518	0.8
59.06998	0.4
62.06080	0.4
67.05503	2.1
69.07068	2.1
73.06544	0.9
74.80524	0.4
79.05494	0.7
81.07052	1.7
83.08611	0.7
85.06549	0.5
87.04477	13.5
89.60595	0.4
90.84515	0.4
91.55997	0.4
92.19774	0.5
93.07050	0.9
95.08614	1.0
95.84954	0.4
97.06534	0.9
99.08091	2.0
105.07071	0.6
107.08607	0.9
109.64297	0.4
117.03735	0.4
119.08581	0.4
121.10155	0.9
125.09580	0.5
129.09096	0.7
147.11708	0.5
201.11160	2.9
258.22162	2.0
286.21637	23.3
291.19443	0.5
304.22696	36.2
305.21149	0.6
337.23666	3.1
367.18924	0.4
390.26376	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.9
57.07081	0.7
62.77567	0.3
71.55224	0.4
73.02905	1.1
74.06063	1.9
74.67409	0.4
88.07623	3.1
99.03818	1.0
99.04459	25.2
101.02385	9.2
104.07098	2.5
118.19587	0.4
135.31224	0.4
145.04964	100.0
159.44794	0.4
228.23100	0.7
246.24321	2.2
323.08124	0.5
325.81290	0.5
342.26501	2.3
390.28485	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	390.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.9
57.07081	0.7
62.77567	0.3
71.55224	0.4
73.02905	1.1
74.06063	1.9
74.67409	0.4
88.07623	3.1
99.03818	1.0
99.04459	25.2
101.02385	9.2
104.07098	2.5
118.19587	0.4
135.31224	0.4
145.04964	100.0
159.44794	0.4
228.23100	0.7
246.24321	2.2
323.08124	0.5
325.81290	0.5
342.26501	2.3
390.28485	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	390.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.2
55.05515	12.5
56.63105	1.3
57.03443	1.9
57.07082	2.9
61.02931	2.3
67.05513	32.8
69.07085	11.6
71.04991	2.7
71.08646	14.6
71.97942	1.3
79.05504	11.9
81.07064	54.5
83.04979	2.7
83.08627	39.2
85.06540	3.4
91.05465	12.4
93.07047	32.7
95.04966	1.7
95.08604	20.6
97.06528	9.5
99.08090	10.1
105.07038	8.9
105.13329	1.5
107.08590	22.7
109.06528	1.6
109.10136	6.7
111.08077	14.9
117.07005	3.1
119.08577	3.2
121.10139	14.6
123.11687	6.3
125.09611	2.0
131.08539	6.4
133.10123	22.2
135.08136	2.3
135.11729	18.3
138.57898	1.6
139.11150	2.3
147.11708	2.5
149.09341	1.4
149.13257	52.2
151.11186	14.7
152.76265	1.6
159.11690	19.4
161.13274	7.6
163.50233	1.5
165.12762	6.1
177.12762	9.4
179.14290	3.5
195.13800	75.9
196.08461	1.5
213.14844	100.0
259.20679	2.1
277.21530	18.7
295.22684	33.9
387.52826	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	390.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08367	0.4
56.05032	0.6
58.06610	4.3
68.22456	0.4
72.04513	0.6
74.06084	3.0
86.06071	31.2
89.96572	0.4
92.21467	0.6
99.37640	0.4
104.07108	100.0
122.08569	0.4
136.06174	0.5
148.56517	0.4
183.72057	0.5
204.15945	11.1
265.96054	0.4
296.30966	0.4
300.94479	0.5
311.99869	0.5
384.83600	0.4
390.28494	40.0
400.53784	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	390.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	2.9
58.06617	0.7
61.73000	0.4
70.06590	10.1
71.08616	2.3
72.08166	0.7
76.68560	0.5
84.08144	0.9
86.09705	2.4
88.07639	5.7
89.06013	0.6
89.79934	0.5
102.09193	3.1
132.10210	11.3
146.11755	12.5
181.41577	0.5
211.72319	0.5
240.26894	2.6
249.51625	0.6
266.28476	2.3
284.29465	23.9
328.32077	68.4
372.34860	1.3
390.35760	100.0
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
53.28027	0.4
56.05037	3.2
56.95638	0.5
57.07089	4.9
58.06604	9.6
60.04517	1.1
70.06582	0.9
71.08619	2.5
72.08151	0.9
74.06090	5.4
75.04505	0.6
78.56911	0.5
85.04588	0.5
86.06065	6.6
88.07635	23.3
100.07626	1.2
102.09174	0.9
104.07096	5.2
108.33082	0.5
112.92693	0.5
132.10187	9.4
162.11244	3.1
166.10745	2.5
169.39339	0.5
256.26331	7.6
266.28366	1.1
284.29401	0.6
298.31024	48.2
310.30804	1.0
342.33655	16.2
372.34689	2.2
390.35764	100.0
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
55.35041	0.5
57.07080	3.5
70.06602	12.9
71.08612	2.1
72.08144	1.2
84.08130	0.9
86.09708	1.2
88.07629	6.9
89.06047	0.6
102.09164	3.0
132.09262	1.0
132.10214	14.3
146.11754	11.6
161.61235	0.6
240.26878	2.6
266.28421	3.0
284.29474	21.9
284.32532	1.0
294.25873	0.5
328.32086	72.0
339.74167	0.7
355.28354	0.9
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
53.34416	0.4
54.73838	0.4
57.07065	3.4
58.06611	0.8
59.60026	0.6
61.84644	0.6
70.06598	10.6
71.08626	2.5
72.08155	2.4
80.39944	0.5
84.08124	0.9
85.10203	1.4
86.09690	2.3
88.07619	7.4
102.09171	3.5
131.26186	0.6
132.10190	12.3
144.31883	0.6
146.11769	10.6
194.13739	0.5
230.10345	0.6
240.26912	2.9
266.28378	2.4
284.29489	22.8
328.32071	58.7
329.35785	0.6
372.34525	1.0
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	390.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56502	0.4
52.90535	0.4
57.07080	3.3
58.06593	0.8
58.06885	0.4
62.85746	0.4
64.62888	0.4
69.07059	0.5
70.06595	10.7
71.08645	1.2
72.08164	1.0
76.42509	0.5
84.08129	1.2
84.31798	0.5
86.09705	1.0
88.07621	5.9
102.09205	2.8
114.09201	0.6
121.65618	0.6
124.78779	0.6
132.10187	9.2
146.11772	11.5
168.20522	0.6
169.56900	0.5
191.59752	0.5
240.26889	2.9
261.53409	0.5
266.28381	1.1
284.29456	19.8
328.32086	69.4
365.84586	0.6
372.34692	0.7
381.76160	0.6
390.35776	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58253	1.5
56.13361	1.6
56.64674	1.7
58.71818	1.9
65.16786	2.0
89.83310	2.1
108.11314	2.0
116.05580	10.2
118.04675	2.1
129.32407	2.1
134.06659	20.5
142.03455	3.0
151.04657	8.4
160.04547	30.9
169.05716	16.9
173.08835	4.7
199.06775	62.9
215.05417	19.4
217.07829	100.0
217.09892	4.0
225.07213	4.2
265.18820	2.0
276.38492	2.0
285.10455	2.8
335.29190	2.3
355.07333	11.6
373.08511	29.3
391.09955	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	391.0997
Annotation	Disuccinimidyl Suberate
Peak:m/z	Relative Intensity
53.53575	1.3
59.57662	1.2
70.06585	1.6
77.47500	1.4
77.90753	1.3
78.74706	1.3
86.09683	9.7
126.34803	1.3
130.06532	1.8
149.02315	3.8
159.09096	1.7
170.85983	1.7
173.37129	1.7
194.81311	1.7
196.27325	1.7
230.13889	2.0
265.05936	6.2
307.06885	2.4
355.18649	2.5
391.09949	100.0
391.20871	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	391.1
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79980	1.1
69.28674	0.9
82.54957	0.9
83.43846	0.9
94.93024	5.0
111.52235	1.0
197.07378	4.9
201.09499	7.9
219.10469	1.3
219.68925	1.2
229.05646	2.1
391.10043	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62119	1.3
56.05039	1.6
57.91061	1.3
68.29131	1.1
69.63213	1.3
70.06592	2.6
71.08604	1.8
72.08162	5.8
74.06078	6.8
74.40189	1.3
83.50864	1.2
84.04489	7.5
84.08121	7.4
86.09235	2.0
86.09710	39.8
87.10024	5.9
102.05542	2.8
110.07146	3.0
120.08115	2.1
122.62219	1.3
126.86121	1.4
129.10239	2.5
130.08578	1.3
143.11838	2.1
148.05994	1.6
149.02347	16.6
157.13405	1.6
173.09315	1.9
173.12849	6.0
187.02980	2.1
201.12395	1.8
210.21381	2.0
221.07695	2.2
229.03748	11.8
240.13661	1.9
244.13647	3.1
247.04892	3.4
391.09885	100.0
391.18506	5.2
391.24316	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	391.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47070	0.7
57.51894	0.6
60.06168	0.6
62.58643	0.5
70.06592	1.2
84.04539	0.7
84.08137	3.0
85.02908	1.2
86.09728	0.9
95.08601	1.1
96.98293	0.7
97.02883	0.6
107.04890	2.1
116.07083	1.5
120.08112	20.1
123.08097	1.0
125.09593	0.7
129.10252	4.7
130.08734	0.8
132.08121	1.4
136.62167	0.7
149.02365	3.0
159.09180	0.9
165.09018	1.0
165.10289	3.6
166.09467	1.2
173.09184	0.8
178.04729	1.7
179.05510	3.4
183.09114	0.6
192.06274	2.7
202.08542	0.7
204.06323	25.6
206.04239	27.5
220.05820	4.2
221.06526	9.4
242.08119	1.2
244.10750	1.0
274.58200	0.7
276.13284	5.5
299.10001	1.4
319.12555	1.3
331.12747	1.3
359.12219	2.6
373.13690	4.0
382.18668	0.8
391.14774	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
69.84286	1.5
70.06622	1.5
70.20866	1.3
72.08170	1.6
72.23991	1.5
80.50200	1.3
86.09714	1.9
93.07059	1.4
95.04955	3.4
105.89104	1.3
111.08117	1.6
116.07103	2.2
120.00031	1.5
120.08089	1.5
122.06007	2.3
130.57011	1.4
137.05927	6.3
138.05536	5.8
146.02365	3.0
149.02336	3.6
150.05522	1.7
160.07161	1.8
162.09131	2.0
178.04921	5.3
180.10228	2.5
188.07082	1.7
192.06512	2.7
202.08661	2.6
206.04381	1.8
208.09599	11.7
210.07678	2.9
225.10214	2.9
229.09499	2.1
230.08253	3.3
230.12910	1.7
238.07327	8.2
239.07945	1.8
241.09669	2.3
243.11234	1.6
248.09138	6.8
252.08746	2.3
253.09662	18.6
253.33714	1.6
254.07027	2.9
255.11240	6.3
257.09119	6.3
265.09833	7.7
267.07407	2.3
268.08411	1.4
269.09140	2.9
271.10645	7.5
279.07681	5.5
281.09128	17.5
283.10773	3.4
285.08719	3.5
289.11826	5.5
299.10257	21.9
303.28485	1.6
309.08701	16.2
315.13043	1.9
327.09784	39.9
331.12836	6.4
341.11200	2.7
359.12421	22.0
373.14325	2.8
373.18997	2.3
391.10068	15.1
391.14938	100.0
394.85818	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	391.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05045	1.5
59.88031	0.6
64.27626	1.0
70.06597	5.3
71.08616	0.9
72.08144	6.9
73.44278	0.8
74.06070	1.0
74.46355	0.8
78.50864	0.9
84.04514	1.8
84.08151	16.0
85.04034	1.9
86.09696	5.5
90.22023	1.0
90.26904	0.8
110.52608	0.9
116.07077	3.1
120.08099	12.1
129.10251	14.4
130.06532	1.3
130.44861	0.9
132.08087	8.6
143.03354	3.8
148.06068	1.4
149.02327	8.4
159.09178	2.1
165.10231	1.7
168.73022	0.8
169.07683	1.1
171.09116	0.9
187.08691	6.5
215.13901	0.9
216.11327	6.5
222.25568	0.9
244.10820	11.6
263.14117	1.0
276.13474	4.2
391.10623	3.4
391.15732	100.0
391.23325	8.9
395.11786	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	391.1573
Annotation	Chidamide
Peak:m/z	Relative Intensity
53.40889	0.4
53.97595	0.4
57.16242	0.4
58.27160	0.5
61.06205	0.4
70.06588	1.0
70.73892	0.4
72.08142	2.4
82.69762	0.5
84.08141	3.0
86.09703	1.2
107.33482	0.5
115.17010	0.5
116.07077	0.8
118.05019	0.5
118.05877	0.6
120.08112	1.2
129.10236	4.1
130.06529	2.7
132.08063	0.9
136.07613	0.8
141.05475	3.1
142.05797	1.1
149.02383	2.6
159.09142	5.6
170.05989	2.2
186.12822	2.1
187.08662	0.9
192.82280	0.6
258.16031	2.2
286.15436	4.2
290.93430	0.6
389.58484	0.5
391.15726	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
57.03443	2.0
57.07092	0.9
61.02943	0.8
61.52270	0.7
62.32653	0.8
69.03436	12.3
69.07055	4.6
69.82466	0.8
71.04986	6.1
74.89796	0.8
79.80028	0.8
81.03429	22.3
81.07064	1.4
83.08642	1.2
85.02907	47.6
85.06544	1.0
97.02915	7.2
97.03454	1.0
99.04462	28.4
103.03947	63.6
105.07059	1.0
105.99652	0.8
106.12176	0.9
109.02892	24.1
109.10134	1.5
113.63240	0.9
115.03914	1.0
119.08560	1.6
120.08077	1.0
123.11675	1.0
127.03915	100.0
138.29872	0.9
145.04950	10.3
149.02376	4.0
163.06010	1.3
164.10562	1.0
164.25580	1.1
166.12303	1.5
175.14795	1.1
180.08577	0.9
187.06023	8.8
190.08266	1.1
211.20480	0.9
253.06992	1.8
271.08224	6.7
289.09241	1.3
355.17538	1.2
359.12378	1.0
373.18893	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	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	11.7
56.05051	1.2
57.07070	0.8
59.08595	0.8
60.77927	0.8
69.03434	3.5
70.06575	5.2
72.08160	95.0
75.02704	5.2
76.03037	1.4
77.34876	0.8
83.04986	4.2
83.06092	2.2
83.08626	5.6
84.04510	34.6
84.08144	1.9
85.02924	1.8
86.09697	4.6
91.05480	8.6
91.84409	0.9
92.81224	0.8
97.02847	1.1
98.97550	1.2
101.07133	12.6
107.04946	4.2
108.05305	1.6
111.08103	1.5
116.07099	2.0
118.06538	77.5
120.08098	3.6
129.06647	8.9
129.10193	0.9
130.05002	91.2
133.05952	0.9
133.49757	0.9
137.05928	8.2
144.08090	1.0
146.06035	9.1
147.07645	100.0
149.02345	8.2
157.07597	1.2
158.06081	1.5
162.09077	1.4
163.08667	4.5
164.07098	1.0
167.03389	1.3
172.11282	1.2
174.05443	8.0
184.07475	0.9
186.09174	15.6
187.08638	1.4
200.10699	1.8
208.09706	7.2
215.08171	1.7
228.10194	17.8
229.09691	5.7
230.12894	1.3
231.11148	1.2
239.08263	1.1
245.12820	20.9
246.12279	1.9
257.09171	1.6
267.07562	3.8
269.09247	1.9
275.10193	3.9
292.12918	44.9
295.07047	2.0
299.10352	1.6
309.08966	1.1
313.08182	1.1
327.09604	1.0
342.09692	1.9
359.08755	1.3
359.12741	1.5
373.09927	3.0
391.11267	5.6
391.15063	6.1
391.19406	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	391.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84191	0.8
56.05042	0.9
56.27477	0.8
58.06598	6.5
69.03428	3.6
69.07076	1.6
70.06586	7.2
72.08151	5.5
74.06059	3.8
81.03416	6.7
84.04536	2.0
84.08151	5.8
85.02899	6.5
86.09712	24.3
87.10038	1.1
92.49059	1.0
94.44564	1.0
96.04485	4.5
97.02901	4.9
98.09686	7.4
99.04492	1.4
101.01775	3.3
107.04917	1.4
107.73763	0.9
108.04478	1.2
109.06532	1.4
110.06029	1.0
112.03940	1.3
114.05543	1.7
116.07092	32.5
122.05984	1.1
124.07628	1.0
126.05549	1.2
126.06615	2.1
126.09119	1.0
127.03907	2.2
128.07088	1.3
128.10687	7.0
129.10330	3.2
132.10194	1.3
137.06033	1.3
138.05519	2.0
140.10732	1.6
146.06020	3.9
149.02322	8.6
151.11168	1.4
152.07036	1.5
156.07660	1.3
164.10692	32.4
168.07710	1.5
168.10057	1.1
170.08063	4.6
170.11719	1.5
177.05330	1.0
184.09712	4.3
186.08745	2.1
188.07027	2.0
194.08154	6.1
194.11696	7.7
196.13393	1.1
200.87558	1.1
201.79353	0.9
210.11290	4.4
211.14423	2.1
212.12796	20.6
214.14372	1.7
227.07716	1.2
229.15404	11.1
230.13857	100.0
242.10149	7.1
307.16492	50.2
315.10519	1.8
337.17459	4.0
349.09601	1.4
355.18588	69.5
359.13608	1.4
373.15567	2.4
373.19803	28.5
391.02667	1.1
391.09778	12.6
391.15186	12.6
391.20673	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	391.2186
Annotation	pre-putrebactin
Peak:m/z	Relative Intensity
56.05045	9.1
58.06607	5.4
59.63592	0.6
60.04525	0.9
70.06567	1.0
72.08134	1.4
74.06081	55.0
76.04012	0.7
80.29760	0.7
82.78616	0.7
84.04503	10.0
84.08138	1.7
86.06062	1.8
86.09706	54.8
98.09730	1.1
101.07140	26.7
102.05544	3.4
102.18909	0.7
121.87616	0.7
126.12766	1.8
129.10277	2.9
142.12285	10.2
143.11819	10.3
147.04353	1.2
149.02341	5.7
159.07663	8.9
169.06108	0.8
169.13280	1.3
177.08701	40.6
177.10242	1.5
187.07121	4.2
187.14410	100.0
215.13910	33.0
215.15633	0.6
272.15900	3.4
312.15640	1.0
316.18616	7.7
325.06696	0.9
367.38318	0.8
373.20819	20.6
391.05579	2.6
391.13678	1.1
391.21652	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	391.2451
Annotation	Lys Ile Met
Peak:m/z	Relative Intensity
58.35747	0.7
81.07067	1.3
85.29995	0.8
89.06534	0.7
93.62940	0.8
95.08582	1.0
105.07021	1.7
107.08591	1.6
119.08544	1.7
149.02341	4.5
154.28732	0.8
175.82330	1.0
258.90567	0.9
305.93484	0.9
385.06390	1.0
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	391.2452
Annotation	Lys Ile Met
Peak:m/z	Relative Intensity
51.74489	0.5
52.89137	0.7
57.63948	0.6
67.36235	0.7
90.07848	0.7
95.08566	1.0
99.04454	1.5
108.88359	0.8
145.04958	8.5
146.05316	4.0
149.02377	1.0
236.31351	0.7
304.68036	0.7
332.25989	0.8
391.24521	100.0
391.28690	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	391.2454
Annotation	Leu Met Lys
Peak:m/z	Relative Intensity
54.60469	0.9
56.96564	1.1
57.49326	1.0
74.05965	1.0
81.07059	2.6
93.07005	1.3
95.08575	1.6
97.06470	1.3
99.04475	2.0
100.72585	1.1
102.00738	1.0
107.08618	1.5
109.10162	1.8
119.08582	1.3
121.10130	1.8
133.10124	1.4
145.04976	5.0
145.10149	1.7
146.05273	1.8
147.11711	1.4
149.02339	5.6
157.10120	2.0
158.99678	4.6
173.01202	2.6
177.00618	1.8
195.11559	1.1
241.66084	1.3
244.99693	1.9
263.01044	1.4
337.37033	1.3
391.24509	100.0
391.28561	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	391.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10392	1.8
54.87376	1.9
55.05534	3.5
67.05514	4.9
69.07076	4.1
71.30193	2.1
79.05496	8.3
81.07056	17.2
82.12671	2.4
83.04971	2.5
85.06573	2.2
90.65181	2.0
91.05473	10.4
92.20879	3.3
93.07062	18.7
95.04992	22.0
95.08621	9.6
97.06526	2.5
103.37222	2.1
105.07037	29.7
107.08618	17.1
109.06539	4.0
109.10187	4.3
117.07023	5.5
119.08618	28.2
121.06486	3.9
121.10146	13.6
123.08083	3.5
129.07039	3.9
131.08588	14.7
133.10101	9.6
135.08069	2.5
142.07748	4.5
143.08556	18.9
144.09337	2.5
145.10106	21.2
149.02350	4.8
149.09660	3.9
155.08502	3.5
157.10072	22.9
159.08018	3.4
159.11696	11.7
161.09593	3.4
163.93022	2.4
168.09421	3.1
169.10068	4.4
170.10950	3.1
171.11694	13.8
173.09608	4.4
173.13257	13.3
179.08549	4.4
181.10182	4.4
183.11694	8.9
185.13268	4.7
193.10162	4.3
195.11780	5.2
195.70697	2.4
197.09525	2.2
197.13272	12.2
207.11732	8.8
208.12494	4.8
209.13261	5.3
211.14832	3.9
217.15828	2.7
221.13260	12.5
223.14873	4.6
228.06734	2.3
233.13275	9.0
235.14848	3.5
237.16377	3.0
247.14951	2.9
249.16426	11.4
281.19028	2.7
373.25198	14.8
391.26324	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	391.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11768	1.3
67.05490	5.4
79.05496	6.8
81.07065	14.1
83.08630	2.1
84.40247	1.4
91.05490	3.9
93.07045	14.6
95.04945	12.1
95.08611	7.3
103.36043	1.5
105.07030	19.1
107.08614	8.3
109.10145	2.3
117.07008	2.4
119.08603	15.4
121.06516	6.3
121.10139	11.9
123.08121	1.9
129.07033	1.6
131.08585	11.0
133.10127	9.2
135.08069	2.4
135.11703	2.3
142.07738	1.9
143.08533	11.5
144.09363	1.7
145.10149	16.1
147.07974	2.2
147.11716	2.8
149.02333	7.6
155.08591	1.6
156.09328	2.4
157.10152	9.2
158.10841	1.7
159.08029	1.8
159.11743	7.5
161.09590	3.0
167.10686	1.8
169.10139	6.5
170.10983	2.4
171.11713	3.7
173.09583	3.2
173.13243	6.9
179.08490	1.7
181.10132	3.6
182.10916	1.8
183.11664	9.4
185.13255	3.2
193.10158	3.5
194.10985	1.9
195.11714	6.9
196.12416	1.9
197.13326	9.5
199.11160	2.7
206.11057	1.9
207.11656	6.2
209.13197	12.6
211.11131	1.7
213.12778	1.9
219.11577	2.9
221.13240	6.7
223.14894	2.5
233.13203	2.4
235.14787	3.1
237.16530	1.8
247.14684	2.9
249.16394	3.3
263.17984	2.1
277.19556	2.1
311.71649	1.6
313.03925	1.6
335.19992	3.3
373.25101	13.6
391.26324	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	391.284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.2
55.05520	8.3
55.87997	1.2
64.76209	1.1
67.05511	15.5
69.07078	6.8
71.04990	1.5
79.05492	17.8
81.07060	21.8
81.07403	1.1
83.08646	8.1
91.05493	11.4
93.07044	31.9
94.25193	1.3
95.04992	1.6
95.08608	23.1
97.06525	2.8
97.10142	1.3
99.08044	1.3
105.07030	14.4
107.04987	1.2
107.08597	30.0
109.06551	2.1
109.10184	9.3
111.08082	1.6
117.07062	5.8
119.08578	17.1
121.10142	28.4
128.48280	1.4
128.49231	1.2
129.07059	1.9
131.08569	12.5
133.10147	15.2
135.08041	1.8
135.11673	9.6
143.08600	3.0
145.10115	13.6
147.11754	7.3
149.02396	3.0
149.13275	2.7
150.13643	2.7
155.08650	1.3
157.10196	6.4
159.11723	2.2
161.13298	1.8
169.10196	1.7
171.11736	7.9
173.13275	2.1
175.11227	1.5
175.14735	1.7
183.11768	1.6
185.13248	2.9
195.13809	2.9
196.14185	2.8
197.13347	1.8
199.14941	2.4
213.14783	4.0
213.16602	1.9
214.15337	6.5
235.17137	1.3
249.18546	4.4
261.18466	1.6
263.20145	2.2
277.21930	1.5
278.17703	1.4
296.23068	2.6
337.25150	4.5
355.26230	15.6
373.27298	15.9
391.28561	100.0
391.33600	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	391.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	3.2
57.07066	0.9
67.05511	4.0
69.07060	9.3
71.02408	0.7
71.08612	0.6
79.05487	1.5
81.07066	11.1
83.08618	4.3
84.23574	0.6
86.08213	0.6
91.05492	2.7
93.07050	9.2
95.08613	25.9
97.10167	1.5
98.62491	0.7
105.07035	9.2
107.08597	18.3
109.10157	15.9
117.07004	1.1
118.19280	0.6
119.08567	16.1
121.10140	14.6
123.11689	3.8
131.08560	4.4
133.10117	11.5
135.11711	7.3
137.13263	1.6
143.08597	3.4
145.10124	14.1
147.11688	9.9
149.13263	7.6
155.08517	0.9
157.10150	6.8
159.11679	10.7
161.13272	8.0
163.14856	2.9
169.10139	3.1
171.11729	7.1
173.13229	9.3
175.14828	7.4
177.16415	1.3
183.11722	3.5
185.13242	5.5
187.14801	9.6
189.16408	3.9
197.13222	2.8
199.14850	4.2
201.16394	4.2
203.17976	2.7
209.13083	1.0
211.14775	5.2
213.16414	3.6
215.15054	0.6
215.17967	5.5
217.19606	2.6
223.14867	2.8
225.16385	4.3
226.17191	0.8
227.17949	4.9
229.19540	4.3
237.16501	0.8
239.17949	4.6
241.19569	1.6
251.17998	1.0
253.19435	3.2
255.21083	2.8
265.19580	1.2
267.20981	5.0
269.22629	2.6
279.21109	1.5
281.22696	1.1
283.24152	1.0
293.22498	1.1
295.24213	1.6
309.25784	1.1
321.25833	2.7
335.27206	3.7
391.33594	100.0
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
53.48088	0.7
62.77599	0.8
68.93708	0.8
69.07077	0.8
79.05521	0.8
81.07065	3.2
91.08376	0.8
95.08612	3.9
107.08612	0.9
109.10158	0.9
121.10143	1.0
131.08595	1.2
149.13185	0.9
161.13145	0.9
163.62787	0.8
178.05591	0.9
182.11568	0.9
190.04973	11.0
193.31677	0.9
300.90485	0.9
320.09152	6.4
321.09857	1.1
330.11401	1.1
331.11829	1.3
332.12531	1.0
334.07043	3.0
334.10767	2.0
344.09244	1.9
348.08694	24.3
348.12430	1.3
349.09317	1.6
350.29053	1.0
359.11658	1.3
360.12280	26.1
362.10318	22.9
377.12579	7.2
392.14929	100.0
392.34021	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	392.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31429	3.0
59.72061	2.4
70.75027	2.6
128.41928	2.9
131.00034	16.8
143.00053	6.7
145.01573	7.6
153.02003	3.9
154.99974	4.5
157.01555	15.3
164.79686	3.2
169.01595	4.8
170.99492	7.5
171.03148	6.4
173.01080	6.5
174.98984	19.2
177.00539	4.5
177.02115	4.5
181.05215	4.4
185.01065	6.4
189.00569	32.4
199.02679	18.9
201.04163	4.3
212.66438	3.2
221.04749	3.4
295.08420	12.0
301.08609	4.0
309.09909	5.7
351.14508	36.2
351.18350	3.6
369.15665	100.0
387.16611	3.8
392.17380	3.9
392.31705	7.2
392.36288	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	392.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
53.45278	1.2
53.77692	1.2
55.01880	5.4
55.05524	1.3
57.03434	3.1
60.73931	1.3
61.02926	3.3
65.39290	1.2
67.05513	100.0
69.03438	17.2
71.04993	2.4
73.02898	3.0
79.05497	1.9
81.03426	16.5
81.07066	13.3
85.02910	70.4
87.00839	27.0
93.07041	1.5
97.02884	25.8
99.04453	12.4
104.53691	1.1
105.01873	59.5
107.08596	1.6
108.04480	2.0
109.02876	24.8
109.10159	65.4
119.44805	1.2
124.58348	1.3
127.03918	51.0
129.01862	2.3
135.11691	3.1
145.04953	23.8
159.02898	16.4
177.12718	1.6
189.04027	1.4
195.13884	2.1
213.03975	2.1
231.04982	20.5
240.58757	1.4
245.74532	1.2
249.06082	15.6
263.44598	1.4
266.08932	1.4
276.61139	1.6
339.14130	1.8
392.11230	2.7
392.19052	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	392.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66518	2.3
56.96566	4.7
67.05497	2.5
80.18442	2.5
81.07058	3.8
89.21868	3.0
90.70853	2.4
125.09693	2.7
133.10109	4.0
149.02307	3.6
151.11191	3.1
165.26985	2.7
199.06387	4.0
213.08124	3.3
217.07454	6.2
231.09122	4.3
251.09607	4.8
255.09006	26.6
267.09039	27.1
269.10693	28.7
273.10199	13.2
285.10153	28.4
287.11566	16.0
333.17349	22.4
333.72479	3.2
351.18524	49.0
369.19516	100.0
375.33710	5.0
392.24850	77.2
392.36078	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	392.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68540	4.4
56.96559	6.9
64.19129	4.6
68.65652	5.5
76.64342	5.3
79.43583	4.6
118.75148	5.0
175.55348	5.6
211.06335	7.9
213.07996	25.3
217.07483	7.5
229.07437	93.2
231.09038	40.8
243.09016	20.9
247.08554	74.6
261.10117	8.3
265.81030	5.7
285.10077	6.4
332.36258	5.7
333.17429	22.2
351.18381	54.1
351.98981	4.8
369.19458	100.0
387.20663	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	392.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29899	0.6
54.30624	0.6
55.68925	0.7
56.64986	0.6
57.07069	7.1
61.02935	5.7
62.08252	0.8
65.57183	0.7
67.05508	3.5
67.74229	0.6
69.03429	4.6
69.07067	5.0
71.04980	0.9
71.55379	0.7
71.58210	0.7
73.36313	1.0
79.05494	22.2
81.03401	1.2
81.07065	4.1
83.04992	8.0
85.02440	1.5
85.02911	30.6
86.09689	11.4
91.05484	3.3
93.07044	20.8
95.08592	1.8
97.02892	4.4
97.06519	3.7
99.04448	0.8
107.04967	4.7
107.08593	9.0
109.02876	3.7
109.06523	1.3
120.08095	5.7
121.06468	1.8
122.21259	0.8
125.05993	19.5
127.03934	6.4
127.07600	0.9
133.10143	10.1
135.08130	1.1
135.11697	97.7
136.06200	15.9
139.07533	13.1
145.04956	3.9
149.13255	10.6
152.11481	0.8
153.09178	1.7
153.12746	4.8
159.11662	3.6
170.28151	0.9
177.12740	16.7
180.08682	5.2
187.59679	0.8
195.13802	100.0
201.77718	0.9
213.14856	1.6
220.78342	0.9
227.17580	1.1
233.16609	0.9
261.15982	1.5
268.86456	0.9
392.14636	3.1
392.22754	10.0
419.11514	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	392.254
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06609	2.1
69.07064	3.2
70.06606	0.5
83.77850	0.4
86.09711	100.0
86.31767	0.4
120.08113	3.0
130.06509	0.6
159.09183	2.4
160.09561	0.6
166.08693	2.8
183.48473	0.4
193.28081	0.4
199.18057	18.6
199.19778	0.9
199.24919	0.4
227.17548	22.3
230.09666	0.4
245.09219	0.6
279.17133	1.8
312.05353	0.5
320.09009	3.7
375.15506	0.6
392.11292	0.7
392.17822	0.6
392.25485	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	393.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	2.5
57.03445	1.6
61.02925	5.7
68.99792	5.8
69.03426	27.8
71.04989	4.9
73.02917	1.6
80.78225	1.4
81.03427	35.4
85.02912	58.1
87.00843	9.7
95.04944	1.6
97.02886	15.6
99.04456	25.7
103.03965	21.0
105.01861	7.2
109.02885	48.7
117.20181	1.0
127.03917	100.0
129.01848	15.5
145.04933	11.9
147.02904	7.0
159.02924	5.2
169.04945	6.1
187.06058	11.0
213.03972	7.9
231.04999	20.4
273.06067	5.2
291.07162	13.2
357.08273	2.8
375.09250	18.8
393.31305	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	393.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.9
57.03438	1.1
61.02932	4.2
68.99776	1.7
69.03436	22.3
71.04987	3.8
73.30118	0.9
81.03436	23.2
83.04973	0.8
85.02911	59.0
87.00839	8.6
92.21494	1.0
97.02909	14.4
99.04467	27.5
103.03951	24.0
105.01865	3.3
109.02890	46.8
127.03921	100.0
129.01863	8.1
129.60182	0.7
133.22951	1.0
145.04958	11.2
147.02878	4.4
158.64857	0.9
159.02882	1.0
163.06056	1.0
169.04945	3.7
187.06050	6.6
213.03954	7.1
231.04979	11.8
273.06021	5.9
291.07138	11.4
357.07910	1.6
375.09290	8.0
393.10178	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	393.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	6.9
55.01872	3.2
57.03436	1.3
57.77684	0.8
60.35787	0.8
61.02927	8.5
68.99788	2.3
69.03434	26.7
71.04981	5.5
71.43870	0.8
73.02940	1.7
81.03425	54.3
85.02908	51.3
87.00833	17.8
95.04942	1.2
97.02892	22.9
99.04460	34.8
101.02393	0.9
103.03954	17.6
105.01858	9.6
109.02883	72.5
110.23656	0.9
116.75407	0.9
123.05495	0.9
127.03917	100.0
129.01840	12.8
145.04948	10.3
147.02872	6.7
150.38817	1.1
153.01868	3.3
159.02904	4.5
169.04930	6.3
187.06018	7.6
213.03922	8.5
224.61000	1.1
231.04971	24.9
249.06146	1.2
255.04976	1.1
263.59927	1.0
273.05994	7.7
291.07120	15.2
357.08267	5.1
375.09216	5.0
393.10394	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	393.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	5.6
55.01882	3.8
55.05517	0.9
57.03443	1.6
61.02929	6.0
61.57796	0.8
68.99786	5.0
69.02302	1.0
69.03434	30.8
69.20863	0.8
69.31586	0.9
71.04998	6.2
73.02928	2.1
81.02946	2.2
81.03425	54.9
85.02910	56.7
86.13623	0.9
87.00838	15.6
95.04945	1.2
97.02902	18.9
99.04457	31.3
100.73640	1.0
101.02362	1.9
103.03945	18.3
103.95665	0.8
104.25479	0.8
105.01884	11.8
109.02888	70.2
119.08599	0.9
121.39114	1.0
123.04454	2.2
127.03921	100.0
129.01851	16.7
145.04962	10.4
147.02898	6.7
153.01797	1.3
159.02898	1.7
168.24950	1.0
169.05028	6.6
175.58795	0.9
187.05974	7.4
213.03934	10.8
231.05014	27.5
249.06137	2.1
273.06033	10.8
291.07089	17.0
339.07251	1.1
357.08118	5.1
375.09286	8.3
393.10391	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	393.114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54569	2.2
55.01881	74.2
55.05524	23.0
57.03443	5.0
60.57143	2.8
61.04054	3.0
69.03429	6.2
70.06582	14.3
71.04989	5.6
72.08158	12.5
73.02928	3.6
74.06055	3.6
74.61633	2.5
81.03423	5.5
82.02941	14.1
83.01345	14.6
83.08611	4.6
84.04023	4.3
84.04501	59.3
84.08145	5.4
85.02901	23.8
86.09718	6.2
87.04459	5.4
88.03996	3.4
97.02922	11.6
99.04463	29.5
100.03973	17.0
102.05545	4.4
103.03937	51.5
103.90716	2.8
104.03493	3.1
107.79847	2.9
109.02884	36.6
110.02400	100.0
111.00803	16.1
112.03960	27.8
112.11240	4.2
113.02366	20.1
115.03940	21.6
118.05061	3.4
120.08095	19.6
125.03481	26.1
126.01875	5.7
126.05523	5.4
127.01356	3.0
127.03928	40.1
128.03448	60.6
129.01874	3.3
129.02922	4.1
130.04964	6.7
133.04970	5.5
136.07623	4.1
137.06010	3.0
138.01828	14.9
142.05002	30.7
142.05920	3.4
143.03409	26.4
144.06604	3.8
145.02362	3.4
145.05005	4.2
146.04478	18.4
147.07770	3.7
153.02948	27.7
156.02910	47.7
158.04530	3.4
160.06061	16.0
161.04453	3.9
170.04466	81.8
171.02844	24.4
171.04121	4.3
174.03964	12.3
185.05623	5.6
188.05540	73.6
196.90944	2.9
199.03516	13.3
206.06572	20.0
211.60054	2.8
212.05574	3.6
213.05054	46.0
230.06526	5.2
231.05058	23.9
231.06090	26.2
234.99055	11.9
249.07030	5.4
259.08057	5.7
273.07123	15.6
279.81940	3.0
291.08261	11.6
297.03522	3.4
308.53619	3.1
332.09631	15.1
333.08496	6.2
339.15533	5.7
350.10654	3.1
375.10397	19.9
393.11130	99.2
393.22958	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	393.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25477	1.5
55.01881	14.8
55.05519	1.9
56.05049	2.0
58.02958	2.2
61.04044	2.4
69.03438	2.4
70.06597	3.4
71.04996	9.5
72.08159	15.9
74.79275	1.7
81.03431	3.5
83.01347	19.1
83.64067	1.7
84.04041	1.9
84.04504	7.9
84.08114	3.2
85.02916	15.4
86.02425	2.3
86.09705	26.4
87.04462	2.0
99.04465	14.3
100.03942	3.6
102.05556	2.8
103.03942	35.7
109.02879	16.6
110.02415	26.4
111.00797	9.1
113.02366	2.5
115.03915	4.2
117.66886	2.0
118.05038	2.1
125.03474	10.7
126.01904	4.0
127.03913	19.1
128.03458	27.3
129.02969	10.8
129.10237	2.2
138.01862	6.4
142.04985	7.4
143.03365	15.7
145.04927	3.8
146.04506	11.7
153.02930	10.9
155.11879	2.0
156.02907	12.0
158.04482	11.2
160.06035	3.2
161.04451	3.4
166.05212	1.8
170.04454	18.6
171.02763	3.1
171.04010	13.5
174.03958	2.5
185.05696	2.0
188.05551	30.8
189.03813	2.0
199.03670	2.3
206.06604	7.0
212.05524	2.3
213.05046	13.0
217.15491	6.9
230.06627	2.1
231.04826	37.1
234.99133	2.2
249.07236	3.5
270.14294	2.1
273.07330	2.6
332.09720	8.1
333.08179	8.3
350.10825	2.9
375.10489	11.1
393.11285	100.0
393.18576	2.6
409.70822	1.9
416.17593	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	393.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03754	1.3
55.01876	8.8
55.05500	1.9
57.03429	2.3
58.02971	2.3
60.05654	2.1
61.02918	1.9
61.04053	3.4
62.26792	1.3
69.12296	1.7
70.06599	15.2
70.30177	1.5
71.04988	19.3
72.04520	2.4
74.06106	1.6
82.69404	1.5
83.00880	2.1
83.01349	38.0
83.04971	2.0
84.04497	7.8
84.08138	2.2
85.02923	12.7
86.02417	3.6
92.07394	1.5
99.04448	17.2
100.03993	4.2
101.02395	2.9
103.03943	41.9
109.02882	9.2
110.02406	33.9
111.00804	9.5
112.08743	4.2
115.03941	7.7
118.04992	3.4
120.08074	2.7
124.03954	1.8
126.01883	9.5
126.05473	2.4
127.03907	17.8
128.03441	32.0
129.01817	3.4
133.05046	2.1
138.01872	8.9
142.05013	2.9
143.03426	19.8
146.04501	19.7
153.03018	2.0
156.02902	6.5
158.04494	3.1
159.02858	2.1
160.03787	2.0
160.06081	4.2
161.04434	6.8
170.04509	14.4
171.02820	3.5
171.04106	2.8
174.03883	1.7
188.05528	36.6
189.03793	2.2
206.06625	10.9
212.05580	7.3
213.05072	14.0
231.04863	53.5
239.26320	1.8
249.07150	8.8
296.07770	3.5
298.13162	1.9
314.08633	3.6
315.07144	6.9
332.09689	17.0
333.08154	14.7
350.10760	7.7
375.10107	6.7
393.11240	100.0
393.22131	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	393.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.4
54.52474	0.7
55.01855	3.9
56.52985	0.7
57.03447	6.6
59.26328	0.7
61.02930	5.3
67.05504	3.4
68.99783	1.1
69.03437	23.0
69.87257	0.8
70.06590	3.9
71.01350	3.8
71.04980	6.3
72.08164	6.2
73.02888	3.7
73.37110	0.8
75.04461	3.5
81.03419	21.0
81.07024	0.8
83.08621	1.8
84.08150	1.5
85.02435	1.3
85.02908	22.1
87.00826	5.7
87.05556	1.7
95.04932	0.9
97.02900	9.4
99.04452	17.1
103.03928	4.7
105.01848	5.0
106.08679	19.2
109.02881	19.4
109.10107	1.1
109.26522	1.1
117.05466	1.3
120.08115	6.4
122.06055	1.6
125.66134	0.8
127.03907	31.1
129.01826	3.8
129.10240	3.7
130.06535	1.6
132.06662	1.0
135.11688	1.2
138.05510	4.5
140.07068	3.9
145.04936	4.7
146.06032	3.5
147.02817	1.4
150.25693	0.8
158.06049	2.1
159.02859	1.3
162.58183	0.9
166.05090	1.0
166.08650	3.6
169.04874	1.1
169.13370	4.4
173.07111	1.5
174.92834	0.8
176.03432	3.8
187.05998	1.2
188.08199	11.4
202.05077	1.5
208.09669	3.4
213.03926	3.3
216.07704	1.6
231.04974	10.9
231.17078	10.8
232.07141	8.9
234.08755	3.7
236.05440	2.0
259.08249	76.8
273.05948	1.6
291.07016	5.9
361.10403	1.2
375.12729	2.0
393.13959	100.0
414.25650	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	393.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05046	1.3
63.44123	1.3
64.64014	1.5
69.07037	1.6
70.06599	10.6
70.94206	1.5
72.08159	9.1
79.35906	1.5
80.37142	1.3
84.08150	30.3
85.02895	2.5
86.09708	2.9
88.47129	1.3
91.02392	1.2
91.05479	2.4
93.07096	2.5
106.40548	1.4
108.08165	2.2
110.07153	1.8
111.08081	5.6
114.51726	1.3
116.07077	2.0
118.23642	1.5
120.04470	1.7
120.08092	2.8
122.02392	13.8
122.06033	7.6
127.03898	5.6
129.10245	28.2
134.09634	1.6
135.08109	1.7
136.07568	8.3
137.05968	2.4
140.07068	10.3
148.03931	2.5
152.03464	7.2
152.07054	6.3
152.10707	2.4
154.04990	8.7
154.08647	5.8
162.09140	34.7
178.05035	2.4
180.06505	2.7
180.10197	44.2
186.07629	20.1
190.05029	15.2
190.08597	3.6
208.09692	100.0
210.07594	9.4
212.09247	2.7
220.06123	2.1
222.07518	2.1
228.17058	2.3
244.06174	2.2
255.07556	6.1
255.11102	2.0
266.07941	2.9
266.10535	6.1
267.11191	2.7
269.09171	7.3
270.07565	2.1
279.35846	1.6
283.10834	11.9
284.09100	2.9
287.10254	3.3
293.09171	10.6
297.08661	2.9
297.12161	2.5
301.11655	3.6
311.10229	8.3
312.08640	12.0
315.09763	10.8
325.11826	13.1
329.11395	2.1
330.09714	7.1
343.12839	15.0
344.11182	18.9
357.14371	7.9
361.14029	13.7
375.11160	13.2
375.15903	18.6
393.16681	72.6
393.24466	12.6
404.11832	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	393.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.7
59.17435	0.5
60.56992	0.5
64.93703	0.6
65.51190	0.6
65.63025	0.5
69.03430	1.4
69.07095	0.8
70.06590	1.3
72.08155	0.7
74.23973	0.6
79.05486	1.1
81.03416	3.6
81.07058	0.7
85.02898	3.9
86.09709	3.7
95.08615	0.7
96.08163	2.2
97.02882	1.5
99.04453	1.5
109.02863	5.2
111.24782	0.6
120.08081	0.7
124.07593	100.0
127.03919	6.8
136.03999	1.2
136.07678	0.6
138.09145	20.7
145.19522	0.6
154.04996	59.5
178.04994	49.3
180.28824	0.6
191.11787	1.3
206.04489	56.1
210.07602	2.4
224.05737	1.9
231.04887	0.9
238.07091	46.5
259.10779	2.2
321.09543	5.2
329.11267	10.5
357.08011	0.6
361.13882	21.0
393.11664	2.2
393.18863	27.4
394.72583	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	393.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.8
54.98500	1.7
55.01869	3.0
55.05514	2.3
57.03433	2.6
61.02936	1.9
69.03423	31.1
69.07072	100.0
70.06587	9.0
71.04995	10.3
72.08173	17.0
73.85641	1.9
81.03425	20.2
81.74300	1.9
84.04543	3.2
85.02428	4.1
85.02911	77.3
86.09741	2.0
87.08107	40.7
89.54539	2.0
91.05494	2.2
97.02902	47.4
98.91578	2.1
99.04462	41.8
102.05527	2.3
103.03948	54.6
109.02910	24.5
115.07567	36.1
116.07102	2.2
119.04940	8.4
120.08082	19.7
127.03915	96.2
133.72858	2.1
145.04953	20.3
146.06001	2.6
147.04407	34.2
147.07678	2.7
158.06090	7.2
163.06075	2.6
166.08653	8.6
171.10159	8.6
173.07011	3.9
182.12866	8.7
183.11395	4.2
187.06042	3.7
192.06552	4.0
213.11232	10.5
231.12236	11.3
234.88678	2.2
249.13329	3.1
252.37094	2.1
253.07193	2.4
271.07977	3.6
273.13327	58.2
291.14465	3.3
314.12717	2.3
375.20300	2.4
393.06268	2.4
403.70636	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	393.188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79501	0.5
53.03953	3.2
55.01872	1.3
57.03441	0.7
61.02919	3.2
66.18845	0.5
67.99628	0.5
68.99780	0.9
69.03436	14.5
71.05000	3.9
81.03423	25.4
83.04958	0.5
84.08167	0.6
85.02908	27.1
86.09683	0.6
87.00830	8.7
95.04955	0.9
97.02888	9.4
99.04457	19.0
103.03949	9.5
103.73988	0.6
105.01868	5.0
109.02879	36.7
112.05091	1.1
113.76043	0.6
118.41313	0.6
127.03915	54.6
129.01825	6.5
145.04951	5.2
147.02881	3.1
150.12392	0.6
159.02844	2.5
168.11240	0.7
169.04958	2.7
187.06000	2.9
188.62364	0.6
192.84407	0.6
213.03943	4.3
231.05008	12.5
249.05946	1.1
255.04965	1.2
257.19485	0.7
273.06134	4.9
291.07141	7.3
357.08035	2.6
375.09259	4.1
393.18796	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89900	0.5
60.17716	0.4
63.55568	0.4
72.08141	0.9
74.34900	0.4
81.03404	0.9
85.02896	0.8
103.22453	0.4
106.58810	0.5
109.02872	1.7
109.20238	0.5
118.73633	0.5
124.07597	3.3
125.08364	1.8
127.03033	0.4
127.03947	2.6
152.70416	0.4
161.35493	0.4
162.02245	0.5
170.84918	0.4
178.04930	0.7
203.05214	0.7
205.03786	0.9
209.92937	0.4
214.11888	0.5
222.03999	5.9
223.04776	0.6
236.05640	0.9
237.06305	0.5
311.10233	0.8
325.47946	0.5
329.11249	4.3
347.12622	0.8
361.13876	3.9
393.18854	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2051
Annotation	Mulberrofuran A
Peak:m/z	Relative Intensity
55.05517	1.6
55.18588	0.7
57.03445	1.2
58.81981	0.8
58.99586	8.8
67.05521	4.0
68.99812	1.3
69.03433	8.2
69.07073	5.5
71.04997	4.7
76.02229	8.4
76.04022	2.4
79.05514	1.5
81.03437	10.7
81.07060	14.1
83.08630	4.8
85.02905	10.8
85.06573	4.2
86.99047	10.3
87.00834	1.3
88.02211	1.2
91.05499	2.4
92.21570	1.1
93.07062	4.0
95.08611	19.3
95.09182	1.0
97.02910	4.6
97.06552	7.0
97.10188	2.2
99.04474	5.3
99.08086	1.9
103.03952	2.3
105.01888	2.2
105.07061	4.2
107.08599	1.5
109.02863	12.9
109.05508	1.0
109.06596	1.0
109.10181	1.5
116.01682	72.1
119.08587	10.1
121.10147	1.8
123.08108	1.2
127.03916	23.1
129.01868	2.5
131.11760	0.9
133.10121	7.1
135.11716	7.6
137.09650	1.3
137.13300	5.2
144.00038	1.7
144.01157	45.8
144.02261	1.7
145.05067	1.5
153.15944	1.1
161.13258	23.9
162.02194	100.0
179.04800	1.4
179.14339	11.3
187.06122	2.0
197.15395	12.2
213.04042	1.3
215.16537	4.0
220.06197	1.7
227.36119	1.1
231.05096	6.1
255.05115	1.2
255.14278	1.5
289.13300	1.0
291.07278	1.2
331.97491	1.2
340.15784	1.1
357.07916	1.1
358.16602	7.1
376.17883	20.9
393.20587	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	393.205
Annotation	Hispaglabridin A
Peak:m/z	Relative Intensity
50.37140	0.2
54.03464	0.2
55.01873	1.2
55.08134	0.2
58.06599	0.2
62.26041	0.2
70.06606	1.0
70.06992	0.2
81.03416	0.2
82.02953	0.2
84.04528	2.4
84.08143	0.3
85.02892	0.3
86.09707	1.4
96.04446	0.2
97.02935	0.7
101.66412	0.2
103.03902	0.3
109.02895	0.4
110.02415	5.9
112.03972	1.9
112.11249	100.0
112.19086	0.2
118.82608	0.2
127.03920	0.4
128.03459	1.2
134.06068	0.2
138.01868	0.3
142.05020	0.5
147.04520	0.3
156.02962	0.2
162.05501	0.3
164.10699	1.0
165.06961	0.4
170.04425	1.5
188.05560	3.2
205.09763	0.8
210.08861	0.4
210.11069	0.2
213.05089	2.0
215.59204	0.2
230.13947	0.4
231.12068	0.2
248.10387	0.4
309.17911	0.7
333.15625	0.3
339.15536	0.7
345.20193	2.2
357.16537	0.3
357.20471	0.3
375.20648	0.3
393.11960	1.3
393.20694	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	393.2094
Annotation	Ile Asn Phe
Peak:m/z	Relative Intensity
51.85355	0.3
53.85206	0.3
70.06598	3.4
71.06931	0.7
72.04565	0.4
72.08153	1.5
86.09696	2.1
92.21417	0.5
102.05599	0.4
109.02876	0.5
110.07190	0.6
116.07116	3.3
117.07419	0.8
120.08128	3.5
127.03909	0.7
129.10225	0.5
136.07555	2.0
137.07925	1.0
166.08662	0.4
178.58781	0.4
199.38805	0.4
201.69878	0.4
255.07629	0.7
268.72580	0.4
269.09225	0.8
315.09799	2.1
375.11887	2.3
393.12668	2.8
393.20935	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	393.2129
Annotation	Leu-Phe-Asn
Peak:m/z	Relative Intensity
55.05518	1.9
70.06303	0.9
70.06599	12.6
72.08157	70.9
81.07026	1.4
83.06107	36.1
84.04505	24.1
84.08150	2.7
86.09703	12.4
91.63802	1.0
94.31137	1.2
94.98495	1.1
101.07153	12.3
102.05547	1.6
110.57228	1.3
116.07107	17.3
117.07431	6.6
117.10244	6.8
118.08639	6.5
120.08107	100.0
121.08427	4.6
129.06624	5.4
129.10246	6.0
130.05058	1.4
133.06084	1.4
135.11691	2.7
136.07614	1.6
138.09148	16.1
153.01807	1.2
155.11794	13.0
166.08633	45.5
181.08688	1.3
182.12885	54.7
183.11290	53.4
183.12848	2.5
186.09155	6.9
194.17575	1.3
194.69862	1.3
200.13943	20.4
210.12369	5.7
211.10712	4.9
228.13402	29.8
230.12814	10.7
231.11270	8.3
233.16531	2.4
248.13837	1.9
250.12685	1.6
261.15967	1.9
276.13519	5.0
277.11758	1.4
329.81744	1.3
375.15784	2.3
375.20316	42.3
376.18890	10.5
388.83966	1.3
393.21320	18.9
404.47269	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	393.2131
Annotation	Leu-Phe-Asn
Peak:m/z	Relative Intensity
69.07072	4.1
70.06590	1.3
72.08170	1.2
77.06848	1.0
86.09710	100.0
87.05590	9.2
98.02424	3.9
99.05598	1.1
110.02349	1.2
110.45321	1.0
113.10825	1.1
115.05047	1.9
120.08105	75.9
130.06476	1.3
138.09175	8.8
141.10220	16.6
143.11816	11.1
155.11787	24.0
166.08626	14.2
167.68341	1.1
182.12944	1.2
183.11296	17.7
200.13936	54.4
204.06461	1.3
223.10783	17.1
228.13431	39.7
231.43074	1.2
279.17072	1.9
289.15463	1.8
293.35132	1.1
359.16013	1.4
375.20270	1.8
376.18625	2.1
393.21237	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	393.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84594	0.9
55.05505	1.0
60.04531	2.0
69.03438	1.6
69.07082	1.6
70.06597	1.1
72.04526	1.9
72.08157	23.3
81.03433	5.3
84.04507	1.8
84.08161	2.7
85.02892	7.7
86.09713	52.3
97.02904	2.4
98.09650	1.7
99.04443	2.2
100.11267	5.4
103.03987	1.6
103.72366	1.1
109.02877	4.9
114.09168	46.6
118.08685	4.3
119.22046	1.0
120.08100	8.2
127.03922	9.5
128.10718	100.0
131.09235	1.0
131.15901	1.0
150.09088	1.5
151.30154	1.0
153.20750	1.2
156.06625	1.3
164.10687	4.3
177.10258	1.6
192.96036	1.1
212.12878	1.8
227.17525	2.1
230.13869	6.0
231.16998	15.4
231.92604	1.2
273.15057	2.3
273.18073	70.2
309.18054	9.4
333.18814	1.2
357.20193	5.0
375.21310	1.9
393.22418	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	393.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.5
57.07067	0.6
60.09144	0.5
67.05503	1.0
69.03423	2.0
72.08158	40.4
81.03424	1.2
83.87717	0.5
84.08155	2.7
85.02907	6.1
86.09709	20.2
86.16500	0.5
96.08148	2.1
97.02908	1.2
99.04482	0.9
109.02869	1.1
109.60505	0.5
112.11258	1.0
114.09168	100.0
116.55736	0.5
120.08108	4.4
127.03934	3.2
128.10736	2.2
132.10156	4.0
150.09145	8.0
153.93835	0.6
158.58261	0.6
174.11247	5.0
180.10153	1.2
189.12401	0.5
198.11244	3.0
210.11279	1.2
212.12808	0.7
216.12320	9.6
227.17516	0.8
231.17061	10.0
234.12941	0.6
239.40240	0.6
255.17062	0.9
263.17444	0.8
273.18082	54.3
283.92209	0.5
304.88776	0.6
309.18094	6.4
339.19022	0.8
357.20169	2.4
357.24457	0.5
375.21429	1.1
393.11758	0.6
393.22296	11.2
398.68845	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62262	1.2
54.41828	1.1
55.05527	2.0
55.99831	1.2
57.03455	1.5
60.04525	1.5
69.03428	5.4
70.06599	6.1
72.08157	55.6
73.02911	6.2
81.03423	2.4
83.04987	2.2
84.04485	1.8
84.08141	9.6
85.02900	3.2
86.09695	9.7
87.52702	1.4
94.06530	1.6
96.04495	3.3
97.02905	1.7
98.97594	2.4
99.04458	2.2
107.08592	1.7
110.06027	1.7
112.03960	2.2
112.07645	2.3
114.09169	6.4
117.69074	1.3
118.83722	1.4
119.05000	2.0
120.08133	2.1
122.06010	5.5
125.06029	7.0
127.03928	3.0
132.10191	5.3
138.05508	1.7
140.07045	2.5
147.04436	2.6
150.09145	94.8
151.03899	17.1
152.03477	2.5
154.08635	14.7
156.10287	1.6
158.99654	1.5
159.08955	6.3
161.06764	1.5
162.05455	2.6
162.09151	1.9
164.10658	13.4
166.04927	2.7
171.27377	1.4
179.07030	5.8
180.10197	24.8
182.11794	18.9
188.03435	5.5
190.05049	2.9
190.08667	1.7
194.11890	2.7
196.09669	1.3
197.08139	12.7
198.11244	19.3
200.12811	3.4
201.00749	1.4
208.09726	10.4
210.11230	21.8
212.12778	2.6
216.12297	66.3
222.07695	2.1
222.11292	13.2
230.13805	1.7
231.17076	11.0
240.12289	3.0
241.15402	2.1
258.13345	5.9
259.08450	1.8
263.17490	9.8
283.10767	8.5
287.10214	5.1
291.17041	2.0
301.11865	1.9
305.11301	7.1
309.18076	100.0
311.10199	2.2
311.19705	1.9
321.18127	2.0
329.11374	3.2
339.19235	16.2
343.12848	2.6
357.20206	55.0
361.13849	6.7
375.21262	36.7
393.16452	41.5
393.22205	29.9
403.78568	1.6
406.76593	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	393.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49666	1.0
58.42653	1.2
58.88734	1.0
64.32706	1.1
69.03444	1.7
69.07080	1.2
79.63297	1.1
80.26427	1.1
81.03436	1.9
81.07056	2.0
85.02941	2.5
93.07043	1.3
99.04450	1.6
103.03932	1.4
109.02877	3.0
114.42146	1.2
121.10146	1.2
127.03936	8.5
131.08597	1.4
140.26036	1.1
142.73665	1.1
159.11777	1.7
166.14767	1.2
175.72725	1.1
184.86333	1.2
209.69562	1.2
235.12932	9.5
240.57013	1.2
333.20313	29.8
365.31381	1.8
393.22470	100.0
393.31305	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	393.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51852	1.2
67.05504	1.5
69.03429	2.9
73.44047	1.0
81.03432	8.0
85.02910	9.2
92.21270	1.6
94.75879	1.1
95.08624	2.5
97.02911	1.6
99.04450	2.5
103.03958	2.3
109.02846	8.3
111.04210	28.4
117.81467	1.1
119.55824	1.0
127.03923	12.5
157.80785	1.3
167.14595	1.3
171.65741	1.2
173.13373	1.2
231.04929	1.8
239.81416	1.3
245.15106	27.6
286.33542	1.3
290.91824	1.2
291.06931	1.6
294.78537	1.4
333.20346	100.0
393.17542	2.2
393.22507	61.7
393.27612	2.2
393.31281	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	393.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35828	0.4
55.05502	0.8
57.03441	4.2
57.07077	7.9
62.06127	0.8
65.89793	0.4
66.49747	0.5
67.05502	3.1
67.91501	0.6
69.07060	2.7
71.08637	5.8
81.07077	4.0
82.52688	0.5
83.08627	0.9
85.02838	0.5
85.10191	3.5
93.07067	0.5
95.08600	4.9
97.10188	0.8
109.10177	2.4
112.56807	0.6
113.00018	85.7
119.08594	0.7
130.69710	0.5
131.01068	0.9
168.35031	0.6
169.02606	100.0
225.22162	1.0
266.68192	0.7
270.64990	0.6
349.32407	0.7
367.80396	0.7
393.24051	3.4
393.31631	2.4
416.32870	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	1.1
62.99989	0.6
67.93575	0.6
70.06594	4.1
72.08157	14.3
75.79159	0.8
84.04495	1.0
84.08147	100.0
84.86902	0.5
86.09706	4.2
91.86005	0.7
101.10773	5.9
112.07549	0.8
116.07076	4.5
120.08095	7.5
121.08440	2.8
129.10243	88.0
138.12816	2.5
157.09564	0.8
183.14926	8.7
187.32368	0.8
188.07126	1.6
200.17630	1.0
210.16032	4.0
211.14442	1.1
227.08209	0.8
228.17052	6.8
251.40717	0.7
255.07632	3.6
265.15500	3.2
269.09253	3.9
287.10214	2.3
297.08694	1.6
303.18933	0.6
311.57291	0.8
315.09784	6.7
375.11893	9.9
393.12357	7.5
393.24954	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	393.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75342	0.5
52.92621	0.5
59.07371	0.6
60.05656	1.1
60.08171	13.6
70.06585	4.8
82.54861	0.6
84.08148	29.2
85.06538	0.9
86.09702	3.6
90.46960	0.5
91.05468	0.8
102.09193	0.8
112.08705	0.8
115.08682	0.9
116.07066	1.1
120.08105	75.3
130.08646	27.1
130.09639	1.5
136.07593	0.7
144.13863	4.4
152.09448	1.0
158.09245	2.4
166.16014	0.7
173.06700	0.6
175.11922	5.6
175.14352	1.1
177.10233	32.4
189.15981	11.0
190.09744	0.9
191.11787	3.6
205.09761	2.6
215.15440	1.0
243.14905	1.0
277.15387	2.7
341.76019	0.7
393.11224	6.5
393.25183	100.0
397.47726	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	393.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08520	1.3
62.58699	1.3
71.14210	1.5
81.07044	2.7
95.08586	1.5
100.11265	14.3
109.10143	1.8
119.08507	1.8
155.40349	1.6
202.33640	1.7
300.52789	1.9
303.52887	1.8
393.22174	41.1
393.26138	100.0
393.31363	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	393.2608
Annotation	Lys Val Phe
Peak:m/z	Relative Intensity
61.55791	0.6
98.72171	0.8
100.11257	3.8
115.07909	0.8
132.84448	0.7
253.10376	0.8
258.18808	0.8
275.49069	0.8
393.26117	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2612
Annotation	Lys Val Phe
Peak:m/z	Relative Intensity
51.25183	0.4
63.21045	0.5
73.46441	0.7
75.89292	0.5
76.20449	0.5
81.03443	0.7
85.02905	0.9
95.08650	0.7
98.71523	0.6
99.04454	1.1
100.11306	0.6
109.02887	0.9
127.03926	2.5
164.84972	0.5
167.87509	0.5
180.38945	0.7
248.76108	0.6
259.34335	0.7
388.83487	0.6
393.26089	100.0
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
50.78595	0.5
52.94515	0.4
53.36007	0.4
57.07081	5.7
62.75397	0.5
65.19637	0.5
67.05505	0.9
69.07091	0.6
69.21741	0.6
70.27530	0.6
71.08643	5.5
71.90194	0.6
76.95766	0.6
81.07069	2.7
83.08617	1.4
85.10208	2.7
94.15993	0.6
95.08616	3.6
98.98478	10.0
109.10161	2.6
119.67950	0.6
155.01033	18.5
201.54407	0.6
233.33737	0.6
239.23755	3.6
250.42744	0.7
393.26147	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63487	0.4
53.03963	0.6
53.79629	0.4
56.05049	3.1
59.48003	0.6
61.02929	0.8
69.03439	2.8
72.08150	0.6
73.02928	0.8
85.02912	10.2
91.03947	0.7
97.02895	3.6
99.04491	0.6
99.05602	2.6
109.02882	0.8
115.92159	0.5
118.06557	1.0
120.08113	0.9
127.03925	0.8
128.07895	0.5
129.07025	2.5
130.06520	15.4
130.07423	0.7
132.08083	5.0
144.08084	10.6
154.06526	12.1
156.06871	1.5
156.08070	20.9
156.09288	0.9
159.09167	22.8
160.07555	2.1
169.07611	1.2
171.09163	100.0
172.07570	20.4
172.09065	0.9
185.07054	6.4
189.10223	10.8
197.07106	19.8
202.09747	10.9
214.09747	51.6
216.11319	18.6
232.10829	7.6
254.25319	0.5
334.03705	0.7
394.10916	1.0
394.16110	27.0
394.20419	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	394.1968
Annotation	Glu-Phe-Val
Peak:m/z	Relative Intensity
51.66003	0.7
53.67785	0.8
55.05519	4.1
56.05048	1.2
59.02996	0.8
67.94455	0.8
70.06585	1.3
72.08160	100.0
84.04510	16.5
85.02887	0.9
86.09704	3.3
96.71928	0.8
99.04446	4.4
102.05548	23.0
104.02746	1.0
106.37103	0.7
118.08593	1.2
120.08107	67.9
132.53403	0.9
136.06123	1.1
137.05975	3.3
138.09184	9.8
149.05968	1.6
155.11740	3.2
156.10213	8.6
166.08630	55.5
179.10745	1.2
183.11272	38.9
186.09077	1.0
197.11752	1.7
201.12334	50.1
211.10826	9.0
216.60266	1.0
229.11823	37.5
231.11278	5.2
252.90002	0.9
277.11786	4.0
285.11890	0.9
300.39056	0.9
373.65289	1.0
376.18674	4.2
394.19940	5.2
413.14981	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	394.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82800	0.7
53.43307	0.7
57.90264	0.6
60.42893	0.7
64.10735	0.7
65.50182	0.7
69.07075	5.6
70.06581	3.6
71.03276	0.7
72.08156	3.4
75.25836	0.7
81.53321	0.7
84.08139	0.9
86.09705	85.0
88.07638	1.1
93.07044	0.8
93.65576	0.8
95.33170	0.7
99.04467	0.8
120.08102	100.0
127.03932	1.2
127.19980	0.8
129.10242	1.7
136.07603	1.4
139.00302	0.8
147.04428	1.2
151.07437	0.8
152.54662	0.7
161.05937	0.9
188.06883	3.2
194.77892	0.9
232.06029	1.0
233.16463	21.1
236.86194	0.8
261.15955	26.4
269.09433	0.9
270.09634	0.9
272.86832	0.9
281.11301	12.0
283.56943	0.8
316.10147	1.2
351.40073	0.9
376.12161	1.2
394.11633	5.1
394.21317	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	394.207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.7
55.05517	5.3
57.09680	1.8
67.05502	2.9
69.03429	30.1
69.07071	41.8
70.04173	2.2
71.04993	3.7
73.02910	5.3
75.70300	2.1
81.03397	17.8
81.07053	13.8
85.02903	100.0
87.00818	37.5
95.08599	12.6
97.02893	38.0
99.04444	15.6
105.01868	84.5
105.02470	3.0
109.02891	24.9
120.06097	3.1
127.03919	81.3
129.01802	3.6
132.98528	2.6
133.10143	3.6
135.08054	5.9
137.13234	11.8
145.04962	31.6
159.02869	10.0
161.13243	15.6
179.14330	16.2
189.03990	3.8
197.15379	4.4
215.16275	2.7
231.05009	37.5
248.07559	3.1
249.06007	18.9
264.88022	2.9
341.16006	2.8
379.98505	2.7
383.93475	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	394.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.6
55.01884	7.5
55.05523	4.2
56.14145	0.9
57.03429	4.7
61.02931	4.4
64.87801	0.7
65.10259	0.8
67.05504	1.3
69.03436	31.8
69.07071	25.9
71.04997	2.0
73.02915	5.6
76.13119	0.8
80.48921	0.8
81.03430	17.9
85.02911	100.0
87.00328	1.9
87.00833	37.1
87.04491	1.7
91.03957	1.4
97.02268	1.2
97.02899	32.6
99.04461	19.1
103.03970	1.4
105.01875	74.0
108.04509	2.1
109.02889	29.2
111.11734	4.1
115.03902	0.9
117.05366	1.1
126.05455	1.0
127.03921	71.3
129.01848	5.3
133.10155	0.9
145.04970	28.6
147.02875	1.9
159.02881	16.8
159.23816	0.8
189.03934	2.1
189.87352	0.9
213.03961	3.4
219.13802	1.6
231.04985	24.8
237.14862	1.1
248.07672	1.9
249.06088	20.2
327.68933	0.9
341.15970	1.7
345.61008	1.0
348.69550	0.9
394.20834	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	394.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94074	1.3
55.05524	2.8
57.03468	1.4
59.32441	1.1
69.03432	9.9
72.08165	36.8
84.04516	6.7
85.02933	5.4
86.09698	6.5
87.04446	2.6
92.46153	1.4
97.02899	7.6
102.05534	12.8
115.03897	2.4
120.08106	43.0
120.08918	2.5
125.05998	15.2
127.03934	7.2
133.04997	3.3
135.11671	2.1
137.05986	100.0
138.09125	1.9
138.69214	1.4
156.10234	6.3
161.09631	3.1
166.08655	28.8
179.10666	37.2
183.11273	18.9
197.11729	71.6
201.12344	20.3
203.03967	2.1
229.11752	14.3
291.12921	3.0
309.13861	3.1
358.17105	1.5
376.18695	1.7
381.16324	1.7
394.19559	1.7
405.15820	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	394.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99814	2.4
57.07080	4.4
67.05494	3.6
71.08671	3.1
81.07059	4.3
95.08605	3.4
98.98444	5.3
131.00008	4.2
142.99992	5.0
153.02083	3.4
155.01038	11.3
157.01570	7.4
165.02068	3.7
167.00031	3.7
169.01578	17.5
171.03133	3.7
174.99011	12.1
179.03719	3.5
183.03162	7.5
185.01057	5.5
189.00632	22.4
209.01079	5.1
215.02063	4.4
248.40758	3.1
334.20401	4.9
335.15146	100.0
335.19003	13.3
352.21439	31.4
353.16168	6.0
353.19946	5.1
370.22656	4.1
394.21729	21.2
394.30191	5.0
412.22620	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	394.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50041	2.8
62.83594	2.9
73.00507	3.2
80.11308	3.0
81.07051	4.9
95.08611	3.4
97.08234	3.6
112.99991	6.5
134.66510	3.0
169.02577	6.3
193.27371	3.2
213.41910	3.6
280.12292	3.5
325.97675	3.7
334.20520	21.8
352.21579	100.0
370.22504	29.0
394.22397	51.0
412.23444	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	394.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.8
55.98724	0.3
57.05824	0.4
60.61432	0.3
62.78706	0.3
69.07069	2.9
70.06601	1.6
72.08157	38.5
82.77951	0.3
84.04508	0.5
84.08163	1.4
86.09708	100.0
89.35387	0.3
91.05463	0.4
100.07696	0.4
110.07192	0.8
116.07104	0.5
120.08112	2.4
123.04395	0.4
129.10292	0.8
133.86383	0.4
136.07574	4.8
147.04407	0.6
165.05484	2.4
175.52391	0.3
182.08144	6.4
185.16487	28.4
205.57312	0.3
213.15977	36.2
281.14993	3.4
345.00015	0.4
347.03339	0.4
394.23682	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	395.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78612	2.2
58.91824	1.5
66.69484	1.8
72.08164	2.0
82.48687	1.8
84.08181	2.0
86.09686	2.1
87.03629	1.9
90.58624	2.4
94.06574	2.1
99.85027	2.6
105.40833	1.9
122.06000	8.9
140.07079	12.6
147.04405	10.2
150.47023	1.8
154.04964	16.4
154.08643	4.6
176.21867	2.1
178.04977	12.4
206.04469	15.9
208.09708	4.8
238.07188	8.8
277.95755	2.3
355.79428	2.3
395.07318	100.0
402.19925	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	395.074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70917	1.1
53.64650	1.4
54.30165	1.2
55.05523	1.7
56.73861	1.5
57.03448	1.8
60.46386	1.4
69.03436	2.8
70.06591	3.3
72.08159	19.6
73.08462	3.6
84.04485	5.9
84.96050	2.9
85.02911	3.0
85.71993	1.4
86.09718	18.6
87.04480	2.4
87.10062	2.7
97.02889	1.4
102.05539	8.6
107.53568	1.8
118.17651	1.6
120.08089	19.3
121.08437	11.1
127.03878	1.6
129.10231	2.0
133.04971	1.5
134.63708	1.5
137.05995	8.2
138.05476	7.9
138.06375	3.0
146.11766	9.7
147.04396	2.3
166.04968	10.8
166.08684	3.5
167.08955	3.8
173.12743	2.2
180.06517	8.1
180.10933	2.9
183.11304	6.2
184.11731	1.7
184.76099	1.5
198.07570	7.2
198.11909	1.7
201.12367	3.2
202.12724	2.2
229.11922	2.5
230.12206	3.1
233.14983	2.4
235.64383	1.7
243.07634	3.9
254.12994	1.7
261.08728	2.4
263.02267	2.1
275.15936	3.4
285.08673	6.0
303.09772	6.2
319.04886	2.4
324.86780	1.6
331.09174	2.7
363.11954	17.2
389.09692	1.8
395.07355	100.0
395.22284	6.4
406.16147	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	395.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96424	1.1
59.21883	1.3
70.26567	1.4
77.15953	1.3
81.63262	1.3
141.04193	1.6
155.01884	5.6
168.72217	1.5
173.02977	7.4
185.02974	2.0
201.09427	10.0
215.04018	1.8
219.10509	5.9
227.40240	1.5
233.05042	9.6
253.07529	1.8
275.06131	12.1
291.56467	1.8
301.28064	1.4
309.57611	1.5
311.82520	1.4
335.07962	2.4
353.08841	1.4
395.09470	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	395.095
Annotation	Unknow
Peak:m/z	Relative Intensity
96.49016	1.0
112.05099	31.3
121.19559	1.0
132.79095	0.8
168.42496	0.8
244.09244	3.8
335.09937	0.9
395.09491	100.0
395.13779	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	395.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	0.5
62.23112	0.5
63.04100	0.5
70.06594	2.7
72.08189	0.6
74.06097	0.8
84.08155	24.5
85.02912	1.3
86.09700	0.7
90.97517	0.6
93.33920	0.6
99.08089	7.8
101.10798	1.4
118.05020	0.6
120.08102	7.7
126.39516	0.6
129.10246	18.5
132.56181	0.5
133.06155	0.8
135.07687	1.4
136.07532	0.8
175.08688	2.4
186.12726	0.8
196.10890	0.8
231.14873	0.9
234.99002	0.9
235.10794	1.1
251.59439	0.6
261.55249	0.7
263.10001	0.7
264.45752	0.6
276.17004	0.7
332.28903	0.6
373.41785	0.7
395.13132	100.0
395.23175	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	395.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48761	0.7
60.05640	0.8
68.05039	0.9
69.07074	5.4
70.06577	1.8
72.08163	8.7
73.08495	1.1
83.90469	1.0
84.04491	1.3
84.08152	2.1
85.02910	1.6
85.49323	0.9
86.09713	1.5
88.03976	1.0
91.05435	0.9
93.07043	1.3
94.06557	11.6
95.04960	2.4
97.02892	1.4
97.06499	1.4
99.04495	1.3
110.06029	1.1
111.08108	1.3
112.07603	5.6
114.08958	1.0
120.08096	9.5
121.08456	5.6
122.06032	57.5
123.04411	1.9
127.03924	1.7
129.10213	1.5
130.06534	1.3
134.09673	1.8
136.03923	2.4
136.07582	13.2
137.05986	1.5
140.07074	72.9
145.34793	1.0
147.04413	4.3
152.09369	1.5
154.04994	100.0
154.08623	56.0
154.09608	1.1
156.08057	1.4
159.09204	1.5
160.09566	1.2
162.09138	21.1
164.09300	8.1
171.09171	9.3
172.09532	10.5
178.04991	66.9
180.10178	25.8
190.08650	2.4
196.06052	1.8
206.04492	76.8
208.09683	86.6
210.04001	2.0
210.07669	4.7
210.09871	7.1
214.09834	1.3
215.10077	5.4
217.11687	2.4
225.46614	1.1
231.66772	1.1
232.09660	1.3
233.04681	1.1
234.99066	1.8
238.07094	61.7
247.23141	1.0
248.14836	4.2
258.07617	1.5
275.09982	1.4
276.08679	1.6
277.65768	1.1
293.11496	3.9
318.09570	1.4
328.08142	1.7
335.07846	4.0
345.10736	6.0
363.07425	2.0
363.11847	49.4
377.13443	4.6
377.18158	1.6
395.09460	5.1
395.15958	13.4
395.21844	2.3
403.85483	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	395.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05517	0.9
68.05054	0.6
69.03451	0.9
69.07079	2.9
70.06609	4.4
72.08186	1.1
77.85991	0.7
84.04566	0.9
84.08157	1.7
86.09733	1.2
89.23232	0.7
94.06570	7.3
95.05004	1.4
108.04447	0.8
110.06043	0.7
111.08123	1.1
112.07618	1.4
122.06031	40.7
123.04485	1.0
129.10252	1.4
136.03961	1.7
136.07614	3.4
137.05997	0.7
138.05493	0.8
140.07060	46.3
145.81169	0.8
147.04457	1.7
154.04990	100.0
154.08609	19.9
154.09804	1.1
156.03107	0.8
162.09102	7.8
178.04982	71.5
180.10176	14.2
182.04639	0.9
190.08624	1.6
194.35385	0.6
206.04482	75.1
207.11324	0.9
208.09682	42.4
210.03992	1.6
210.07545	5.0
222.04062	1.1
224.05605	1.1
238.07082	63.3
256.08240	0.9
275.10281	1.7
276.08737	1.4
293.11417	5.0
317.11313	0.9
345.10843	7.2
363.11783	15.1
377.13260	7.8
378.11737	0.9
395.07791	4.7
395.14554	11.2
395.22723	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	395.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07594	1.0
53.00291	1.1
55.01876	1.9
55.05515	10.3
57.03440	1.6
59.05002	2.3
60.69854	1.1
60.92029	1.3
61.02920	1.3
66.95666	1.3
69.03431	14.5
69.07069	100.0
70.06591	3.1
81.03426	12.0
85.02905	40.1
87.00819	19.7
87.04453	2.1
95.04986	1.6
95.29562	1.1
97.02898	14.6
99.04442	7.3
101.39577	1.5
105.01857	20.0
109.02884	11.4
111.11715	34.5
111.24261	1.2
117.01817	1.3
119.08560	1.4
120.08109	1.7
127.03905	32.1
129.12750	49.9
136.07596	1.8
142.13811	1.3
145.04933	6.6
147.13770	11.5
151.77966	1.3
151.79657	1.4
159.02917	3.0
165.74863	1.2
207.02713	1.5
210.00983	1.3
231.04951	8.0
237.12219	1.6
239.08226	2.4
243.07477	3.9
249.06140	1.8
257.09143	5.6
267.07611	30.6
271.07144	1.4
285.08655	47.4
289.08087	1.8
295.07074	5.4
303.09906	2.1
313.08160	15.8
331.09207	33.0
345.11026	1.3
363.11688	12.7
395.14322	12.9
395.20477	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	395.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	8.7
57.03455	1.9
58.06588	7.8
59.33696	1.4
62.50357	1.4
68.05030	2.2
69.03426	6.6
69.07072	3.9
70.06598	23.8
72.04509	2.8
72.08173	2.6
74.05685	2.9
74.06087	62.0
76.25459	2.3
78.03502	2.1
81.03424	9.4
84.04511	8.2
84.08141	15.8
85.02911	23.3
86.06070	3.0
86.09235	2.7
86.09715	48.7
88.07649	2.9
94.06547	4.2
97.02908	8.0
98.06062	41.2
99.04475	3.2
100.07666	3.0
110.06055	6.9
116.07092	74.8
120.06575	1.6
120.08111	6.8
122.02368	2.4
122.06025	20.8
124.07538	2.3
126.05516	2.8
127.03885	7.3
128.10724	48.5
129.10199	7.0
132.10201	43.1
134.06084	1.6
136.07549	2.0
138.05530	2.7
140.07085	31.9
142.91115	1.9
147.04391	2.7
150.05614	1.7
152.07080	3.7
154.04979	7.7
154.08653	12.3
156.06541	2.1
159.07674	2.1
161.05943	3.3
162.09122	2.9
169.04976	3.0
169.13426	3.7
174.11324	4.3
178.04967	7.5
180.10202	7.4
187.14417	9.5
196.06056	2.7
206.04547	2.7
208.07944	2.8
208.09656	18.2
211.14462	8.1
215.13885	4.0
229.15527	3.7
233.14970	48.1
238.07057	2.4
256.08109	30.8
257.14902	16.0
261.17337	2.4
275.16016	100.0
311.15939	12.9
331.07352	2.1
359.17957	2.4
363.11768	7.5
377.13345	6.6
382.67682	1.8
395.13135	23.7
395.20044	31.0
402.52161	2.0
406.50354	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	395.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
62.45247	0.6
111.33373	0.7
123.07848	0.8
134.49010	0.7
175.94583	0.7
181.52066	0.7
192.52914	0.6
203.86140	0.7
235.13060	12.9
335.21967	23.4
395.24051	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07164	0.7
60.04803	0.7
68.47640	0.7
83.01112	1.4
86.50513	0.8
108.35783	0.8
148.90344	0.7
189.22012	1.0
235.13034	7.7
335.21915	24.2
395.24063	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81810	1.2
51.46334	1.1
59.17451	1.8
60.46914	1.3
67.05493	3.1
69.03451	1.9
69.07037	2.9
72.89954	1.5
79.05501	11.0
81.07068	11.8
83.08614	2.0
89.68256	1.8
91.05479	3.7
93.07070	14.3
95.04935	8.6
95.08588	10.6
97.06503	3.7
105.07055	13.7
107.04952	8.7
107.08610	14.4
107.95889	1.5
108.76457	1.5
109.06500	2.2
109.10152	7.4
111.08063	3.3
119.08595	22.5
121.06467	1.7
121.10136	16.6
123.08033	3.9
129.07053	1.8
131.08530	10.7
133.06508	26.9
133.10136	13.2
135.07266	1.4
135.08086	24.7
135.11688	3.1
137.09589	8.8
143.08553	8.5
145.10104	19.6
147.08052	2.3
147.11646	9.3
149.09579	9.6
149.13231	2.4
157.10100	10.5
159.08020	7.0
159.11649	9.9
161.09546	13.4
161.13237	6.4
163.11182	2.2
169.10123	3.8
170.10919	2.6
171.11639	10.8
173.09575	6.6
173.13245	3.8
175.11159	8.3
177.09074	8.3
177.12721	2.2
183.11656	3.2
185.09561	5.8
185.11769	1.6
185.13220	16.1
187.11105	3.7
189.12704	6.5
195.11603	3.8
197.13223	2.8
199.14780	2.7
201.12701	8.7
203.14293	12.5
207.11661	2.0
211.14955	2.4
213.12659	1.8
215.14192	2.5
223.14844	2.1
225.16251	1.7
227.14264	6.3
233.15218	2.1
235.14757	2.5
237.12666	1.6
239.14244	2.4
241.15837	2.6
245.15271	2.7
253.15700	2.2
259.16879	2.9
267.17447	3.6
307.46701	1.9
325.21432	9.1
333.22046	2.2
335.23639	2.9
349.25241	2.6
359.23495	2.9
377.24579	30.5
395.25616	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.258
Annotation	Unknow
Peak:m/z	Relative Intensity
63.40773	2.8
64.71867	2.7
68.79380	4.1
69.07057	3.7
69.19059	2.9
81.07053	14.2
87.52470	3.5
91.05464	3.7
93.07040	6.7
94.74841	3.3
95.08583	4.8
104.34281	3.0
105.07044	17.1
106.46586	3.1
107.04993	3.7
107.08585	14.7
109.10154	4.2
119.08569	17.3
121.10139	7.9
131.08548	7.7
133.06480	29.3
133.10146	13.8
135.08063	27.4
137.09642	4.9
143.08574	6.9
145.02901	5.6
145.10117	19.6
147.11676	7.5
147.62448	3.3
149.09636	6.0
157.10114	16.1
159.11685	7.7
161.09663	7.1
171.11685	12.9
173.13272	4.2
175.11234	4.8
177.05466	18.1
177.09137	5.0
183.11691	4.8
185.13277	17.1
199.11252	5.1
201.12749	6.6
203.14307	18.9
212.96806	3.3
257.22974	3.7
325.21576	14.0
351.23044	6.0
377.24835	32.6
395.25436	100.0
395.32904	6.9
414.56155	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	395.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.9
57.38782	1.8
67.05498	8.9
69.07063	7.5
81.07068	19.3
83.08579	3.5
91.05473	3.3
91.36646	1.9
93.07040	11.4
94.27240	1.9
95.08579	11.3
105.07057	4.4
107.08577	10.4
109.10149	10.8
117.07011	2.9
119.08570	9.6
121.06426	2.2
121.10149	11.4
123.08024	2.2
123.11674	3.0
124.11214	2.2
125.04240	1.8
131.08580	8.1
133.10115	9.7
135.11694	9.6
145.10107	9.9
147.11668	11.5
149.13217	3.3
157.10233	2.2
159.11652	7.5
161.09512	2.2
161.13214	2.6
173.13280	8.1
187.14859	3.2
195.11563	2.7
210.10536	1.9
211.14832	2.5
214.24872	2.2
273.69519	2.2
286.25266	8.0
287.23715	4.3
296.23795	3.9
297.22128	8.3
303.17337	15.9
305.24658	2.0
307.20386	2.3
310.47595	2.2
314.24799	17.6
315.23218	30.5
325.21667	12.4
331.01151	2.4
332.25797	9.9
333.24133	14.2
343.22598	26.8
361.23801	15.6
378.26395	96.2
395.22369	25.2
395.29007	100.0
396.48459	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	395.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05533	1.4
57.07074	1.5
67.05175	1.6
67.05517	6.9
69.07079	5.7
72.91927	1.3
79.05493	2.1
81.07058	15.5
83.08635	2.7
87.87002	1.3
91.05465	2.3
93.07063	10.1
95.04986	1.6
95.08620	12.4
105.07047	2.9
107.04950	1.3
107.08597	5.9
109.10160	6.9
117.07016	1.5
119.08585	6.9
121.10143	9.7
123.11729	3.1
131.08580	12.0
133.10153	6.8
135.11722	7.8
137.06024	1.3
145.10123	10.2
147.08006	1.6
147.11700	6.0
149.09647	2.5
149.13263	2.5
153.09198	2.0
159.11690	6.1
161.09599	3.3
161.13425	1.6
163.11217	1.9
171.11691	2.7
173.13272	2.2
175.11224	1.9
175.14874	2.0
185.09641	1.7
185.13298	1.3
187.14816	1.7
191.10637	2.0
197.13249	1.4
216.17513	1.6
256.27917	1.2
269.22687	4.9
279.21243	1.4
286.25397	7.2
287.23721	8.7
296.23578	1.6
297.22137	10.8
303.17319	1.5
305.24765	5.4
309.19995	1.3
314.24762	16.1
315.23187	51.5
325.21661	8.0
332.25851	9.2
333.24283	16.2
343.22699	20.2
361.23770	8.4
378.26398	99.0
395.29092	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07312	0.9
57.95750	0.7
58.94875	0.7
63.73264	0.7
69.07061	1.2
81.07064	1.5
91.05504	1.1
93.07055	4.7
95.08617	6.1
105.07040	7.9
107.08613	4.7
111.08078	1.3
117.07018	1.2
119.08575	16.8
121.10184	3.6
131.08597	4.8
133.10135	14.3
135.11681	3.3
143.08609	1.8
145.10159	8.6
147.11697	18.4
149.13255	1.3
157.10175	1.5
159.11671	7.5
161.13261	10.7
163.14795	1.1
169.10034	0.9
171.11696	3.6
173.13274	10.4
175.11177	100.0
175.14720	6.8
179.98685	0.9
185.13257	3.7
187.14835	20.1
189.12799	6.8
191.14316	1.3
197.13301	1.0
199.14919	1.6
201.16431	1.8
203.14307	3.5
205.15883	4.3
211.14842	1.2
213.16353	1.4
225.16423	1.4
229.15926	1.2
241.15833	3.1
249.16473	1.2
265.19449	1.1
319.24377	2.0
337.25146	1.1
359.27325	2.0
377.28406	18.1
383.32251	1.0
395.29474	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	395.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63343	0.5
54.89426	0.5
67.05524	0.8
69.03432	0.9
69.07073	2.8
81.07056	3.7
85.02912	2.8
86.03230	0.6
87.00761	0.8
91.05476	1.5
93.07047	3.7
95.08607	7.3
97.02890	0.7
105.01869	1.2
105.07026	8.9
107.08586	4.5
109.10163	2.3
111.08096	0.9
117.07040	0.9
119.08573	11.2
121.10139	3.2
127.03932	2.7
128.04303	0.8
131.08569	4.2
133.06482	2.5
133.10121	8.6
135.11708	3.5
143.08670	0.7
145.10147	9.1
147.11703	13.8
149.13251	2.8
157.10120	2.9
159.11708	4.0
161.09602	0.7
161.13272	9.1
171.11684	2.6
173.09610	0.7
173.13249	2.5
175.11183	100.0
175.14658	6.1
177.16432	0.8
185.13295	2.6
187.14819	19.9
189.12804	7.2
191.14294	2.8
194.11552	2.5
197.13293	0.8
199.14821	1.1
201.16418	1.1
203.14372	1.0
205.15854	6.1
227.18005	0.8
237.16232	0.8
241.15961	2.7
339.46518	0.7
359.27237	1.1
377.28406	11.0
390.97397	0.6
391.53244	0.7
395.29428	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	395.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	4.5
60.53607	1.8
67.05511	24.6
69.07064	12.1
74.56293	2.7
79.05506	15.1
81.07056	33.8
83.08624	5.0
91.05495	4.3
93.07050	19.6
95.08618	35.2
97.10155	3.0
105.07041	13.0
107.08593	19.3
109.10170	11.0
119.08592	12.3
121.10133	22.8
121.56390	2.3
123.11752	3.6
131.08577	15.7
133.10136	12.0
135.11671	12.9
143.08557	3.3
145.10127	16.2
147.11722	5.0
159.11674	4.0
161.13196	3.6
173.13220	3.7
187.14891	4.7
199.14815	4.2
213.16423	3.3
235.20914	2.6
315.26788	3.5
316.67419	2.5
325.25360	5.4
342.27905	15.6
343.26254	25.2
360.28958	33.6
361.27579	18.1
377.31763	5.6
378.30045	21.8
395.32672	100.0
411.19839	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	395.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	4.7
67.05511	20.3
67.20940	2.2
69.07058	12.0
71.04996	2.8
79.05497	9.6
81.07069	34.8
83.04978	2.9
89.73832	2.1
91.05464	5.4
93.07037	17.6
95.08612	28.3
97.10194	3.2
99.22629	2.4
105.07022	12.5
107.08587	22.1
109.10159	10.5
111.75847	2.4
119.08607	19.7
121.10129	21.2
123.11664	2.8
131.08580	13.1
133.10112	9.3
135.11688	16.5
145.10150	16.7
147.11676	11.1
149.13228	4.5
159.11673	14.6
161.13290	3.7
162.31609	2.3
163.11198	10.8
171.11650	3.4
185.13306	3.0
199.14766	4.1
325.25119	9.2
342.27866	14.0
343.26379	21.2
360.29037	27.1
361.27347	12.9
377.31491	3.6
378.29929	28.3
395.24420	7.5
395.32672	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	395.363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94588	2.1
55.05522	4.0
60.04524	5.2
67.05491	4.8
69.07057	16.1
71.36528	2.3
78.65005	2.8
79.05502	2.7
81.07053	6.4
83.08627	10.6
95.08606	13.6
96.99214	2.6
97.10189	6.0
104.97516	2.6
109.10185	6.5
121.10133	3.0
121.63414	2.8
123.11704	2.6
128.73196	2.8
137.13203	2.4
147.11920	2.7
151.14769	3.0
197.73732	2.5
210.18507	3.5
276.41974	2.6
336.32413	5.8
353.35339	3.7
395.36319	100.0
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	Novobiocic acid
Peak:m/z	Relative Intensity
51.24193	0.5
52.15672	0.5
57.03436	0.8
62.26472	0.5
66.94968	0.5
74.95385	0.5
79.08850	0.5
81.07047	1.0
82.48175	0.5
84.57780	0.5
95.08569	0.7
98.82911	0.5
105.07006	0.6
116.04984	1.2
121.06519	1.0
130.84564	0.6
144.04439	5.8
146.06017	0.9
147.04414	4.8
149.05975	3.4
162.05455	1.0
162.06644	4.6
165.05482	0.7
173.40669	0.6
174.05502	53.9
175.03859	2.5
176.07037	1.2
192.06636	3.4
193.08530	2.0
205.08655	3.0
221.08124	3.6
296.09167	0.6
304.09814	2.3
308.09283	1.2
309.10019	4.7
312.12427	1.0
316.09747	2.8
317.10541	2.8
318.07571	1.0
319.11905	0.8
320.09210	2.6
320.12775	0.9
324.08749	7.0
330.07709	0.7
331.08673	0.7
332.09277	4.5
333.09933	3.7
334.10751	3.9
335.11563	4.0
339.10999	8.4
340.11749	9.2
344.09003	1.2
345.09906	3.8
346.10471	1.1
347.11536	5.3
348.08829	5.3
348.12241	6.5
352.08133	21.6
360.12216	4.3
362.10223	0.8
363.10968	3.6
365.12558	1.0
366.09665	2.7
367.10483	7.4
368.14948	3.2
378.13303	20.1
379.58566	0.7
381.11792	0.8
396.14426	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.1
55.01876	4.9
57.03444	2.2
57.07088	1.4
57.75188	1.3
61.02932	6.2
62.47121	1.3
69.03432	29.4
69.75014	1.3
69.99181	1.3
71.04993	2.8
73.02911	5.2
81.03428	15.7
83.08646	1.5
85.02909	100.0
87.00832	44.5
92.70403	1.5
97.02270	1.5
97.02889	35.3
99.04452	16.0
105.01871	72.7
108.04511	2.4
109.02891	34.3
116.47144	1.2
119.15720	1.4
121.06120	1.2
127.02986	3.0
127.03916	76.1
129.01831	6.1
145.04964	28.1
147.02853	3.2
159.02930	13.4
162.36105	1.4
213.04005	2.5
215.51877	1.7
231.04993	30.6
249.05986	13.2
334.05637	1.7
396.21161	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	396.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.1
55.01876	4.9
57.03444	2.2
57.07088	1.4
57.75188	1.3
61.02932	6.2
62.47121	1.3
69.03432	29.4
69.75014	1.3
69.99181	1.3
71.04993	2.8
73.02911	5.2
81.03428	15.7
83.08646	1.5
85.02909	100.0
87.00832	44.5
92.70403	1.5
97.02270	1.5
97.02889	35.3
99.04452	16.0
105.01871	72.7
108.04511	2.4
109.02891	34.3
116.47144	1.2
119.15720	1.4
121.06120	1.2
127.02986	3.0
127.03916	76.1
129.01831	6.1
145.04964	28.1
147.02853	3.2
159.02930	13.4
162.36105	1.4
213.04005	2.5
215.51877	1.7
231.04993	30.6
249.05986	13.2
334.05637	1.7
396.21161	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	396.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.0
55.01866	2.4
57.03433	2.3
61.02935	6.1
69.03436	35.9
69.07080	2.1
71.04987	2.2
71.08636	1.5
73.02910	5.9
81.03417	15.1
83.08597	1.2
85.02912	100.0
86.73145	1.2
87.00834	37.8
88.29694	1.3
97.02899	31.4
99.04465	19.6
105.01874	58.2
105.02605	2.0
109.02885	29.1
127.03918	88.2
127.57168	1.3
128.07751	1.2
129.01784	1.8
145.04970	31.6
147.02927	2.1
159.02847	9.1
191.47401	1.3
199.20424	1.3
213.03935	2.1
231.05013	17.6
231.14684	1.1
249.06020	16.9
350.10132	2.8
365.12915	1.3
367.12192	1.3
396.14636	7.8
396.27664	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	396.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.4
55.01876	6.0
57.03445	4.5
60.47654	1.1
61.02929	6.3
69.03430	31.3
71.04992	4.7
73.02921	7.2
81.03426	19.3
85.02909	100.0
86.09705	5.8
87.00826	36.6
97.02901	33.4
99.04464	20.7
99.05103	1.7
105.01873	76.7
108.04488	1.7
109.02890	31.6
117.01856	1.6
126.05540	1.8
127.03916	82.0
129.01842	4.6
145.04967	28.4
147.02933	1.5
159.02907	18.5
189.03970	2.3
194.48950	1.1
213.03883	5.0
231.04994	28.7
249.06070	13.1
361.18460	2.0
396.22299	1.7
396.27106	4.3
410.39764	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	396.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88348	2.1
56.92784	1.9
57.80334	2.0
59.06121	2.2
60.04015	2.1
61.09387	2.2
66.28300	2.1
66.87994	2.4
81.28052	2.6
98.97587	16.5
100.11279	5.8
101.07131	4.2
109.10203	2.8
116.98621	11.1
174.00620	2.6
188.02115	4.8
208.67641	2.9
263.46545	3.2
267.71909	3.1
318.20868	17.6
336.18381	8.6
336.22055	100.0
354.23013	2.9
378.23224	22.1
396.24228	63.9
396.36673	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	396.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40477	1.4
51.36126	1.4
58.75237	1.7
63.43833	1.7
66.82558	1.6
70.83318	1.5
72.28522	1.6
73.19698	1.8
78.64182	1.6
81.87095	1.6
92.21558	1.7
93.55428	1.9
95.08593	1.4
98.97595	9.7
100.11256	6.8
112.33054	1.6
116.98624	10.2
134.99684	4.1
164.30620	1.6
174.00612	2.1
250.08365	1.8
279.41235	1.7
318.21014	22.6
334.20416	3.9
336.18579	5.1
336.22083	100.0
354.23245	8.2
378.23087	16.6
396.19586	3.3
396.24216	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	396.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
73.55862	6.6
74.73552	7.0
80.84238	6.7
87.04448	14.0
94.90789	6.1
98.06036	7.9
98.80479	6.6
98.97617	9.1
114.05523	37.2
116.07183	6.9
208.20612	32.9
228.09137	8.5
236.20148	16.0
246.10091	9.1
254.10707	11.4
259.61792	7.5
268.22681	13.8
278.67026	7.3
323.13696	7.1
336.22119	53.5
352.21722	11.0
354.23096	100.0
372.24127	31.0
396.24060	88.2
396.28717	73.6
396.36316	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	396.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
73.55862	6.6
74.73552	7.0
80.84238	6.7
87.04448	14.0
94.90789	6.1
98.06036	7.9
98.80479	6.6
98.97617	9.1
114.05523	37.2
116.07183	6.9
208.20612	32.9
228.09137	8.5
236.20148	16.0
246.10091	9.1
254.10707	11.4
259.61792	7.5
268.22681	13.8
278.67026	7.3
323.13696	7.1
336.22119	53.5
352.21722	11.0
354.23096	100.0
372.24127	31.0
396.24060	88.2
396.28717	73.6
396.36316	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	396.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	2.6
57.07084	14.2
59.04993	1.2
69.07070	48.8
71.04987	3.1
71.08625	11.3
73.06554	12.1
77.50331	1.1
83.66679	1.3
85.02911	6.5
85.10168	5.9
86.78949	1.2
89.06032	28.4
97.02897	1.5
111.11720	100.0
113.41255	1.3
119.03314	1.3
127.03891	1.3
128.14131	1.3
129.12756	77.0
199.16928	13.9
217.17969	27.2
222.73480	1.3
240.37891	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	396.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47844	0.4
51.49876	0.4
52.03467	0.4
55.05514	0.7
68.05038	0.7
68.46281	0.4
70.06609	0.8
71.08625	0.5
80.05017	2.8
80.05465	0.5
81.07045	0.7
82.06554	0.6
87.04475	5.8
97.08926	0.5
97.10223	0.5
99.78157	0.5
100.11259	0.5
102.18807	0.5
107.08624	0.5
108.46989	0.6
112.07603	4.4
121.51495	0.6
124.11200	0.7
125.09615	0.8
133.11079	0.5
140.20091	0.5
163.69511	0.6
164.14542	0.5
182.11783	0.7
188.77255	0.6
192.13872	2.5
194.15364	0.6
205.43474	0.6
210.14917	5.5
220.17859	0.7
250.27417	0.5
264.19470	1.1
264.23199	1.2
292.22705	32.7
310.23740	12.8
368.24438	1.1
396.27463	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	397.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
62.29601	0.4
62.80666	0.5
70.06592	2.8
72.08120	0.8
84.04496	1.0
84.08133	1.0
86.09719	4.5
87.10012	0.8
101.20464	0.5
110.07169	1.0
110.71790	0.4
127.03936	0.7
129.10193	0.7
136.07545	3.6
137.07918	1.3
148.01358	1.0
149.02103	21.9
156.07666	1.1
167.03029	0.8
177.01495	0.6
179.01773	0.5
185.04256	2.1
196.14555	0.6
213.12383	0.6
227.05276	1.2
235.05980	0.6
236.95255	0.5
239.03954	0.7
250.16325	1.0
266.24115	0.5
271.04257	2.8
276.99939	0.6
311.07327	7.2
353.08398	10.6
397.07391	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41736	1.4
62.10184	1.6
65.01196	1.4
66.10846	1.6
81.07070	2.0
85.02895	2.2
95.04964	2.2
96.00262	1.5
96.08150	3.2
109.10182	7.0
113.10733	2.1
114.09167	32.0
119.04954	4.2
119.08628	2.2
121.10149	2.1
129.07036	3.1
131.08502	1.8
133.10117	3.4
135.11691	8.2
137.05995	44.5
147.04294	1.8
149.06030	1.9
151.07544	10.1
159.08066	3.2
159.79143	1.9
161.06006	4.3
171.07994	2.7
175.07616	2.5
185.09697	2.0
187.07584	4.2
189.09271	2.3
193.15913	2.3
197.09633	3.3
198.06688	2.7
199.07603	2.4
209.16451	3.1
211.07664	2.2
211.17015	7.2
213.09099	20.2
215.10661	3.0
225.09070	10.3
243.10156	13.5
255.10054	3.3
273.11218	29.0
277.12225	2.2
289.08566	2.9
291.10117	2.8
293.11371	1.8
303.10117	2.8
307.09732	3.9
308.10370	3.4
309.11157	1.9
318.12335	2.2
321.11072	3.6
323.65286	2.2
333.11102	3.0
335.12845	2.1
349.14334	2.5
351.12225	3.9
354.14691	8.1
367.15295	2.6
379.15311	3.8
396.80234	4.3
397.16437	100.0
397.21716	4.5
397.30093	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	397.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11369	0.7
55.40811	0.6
55.48228	0.7
56.55194	0.6
59.24389	0.6
61.26886	0.6
65.58938	0.7
67.05513	0.8
81.39445	0.8
91.05470	0.9
98.08421	0.7
102.20576	0.7
109.06565	1.0
114.33555	0.8
119.04950	4.2
122.03615	0.9
127.03932	0.7
129.07016	3.9
131.04872	1.0
131.08560	1.1
137.05980	46.8
141.06938	0.8
147.04443	3.3
149.05984	3.7
151.07562	3.9
159.08064	4.2
161.06006	6.6
161.09653	1.2
171.08054	1.7
175.07576	1.3
179.30042	0.7
182.07309	1.4
184.08905	1.4
185.09621	3.0
187.07553	4.2
187.11256	1.1
188.73795	0.7
189.09143	1.6
189.12794	1.5
191.07045	4.5
197.09616	4.6
198.06781	7.7
199.07518	7.0
199.11214	1.3
200.08441	1.7
201.09097	1.7
210.06763	1.3
211.07585	1.5
212.08191	0.9
213.09074	18.0
215.10600	5.3
225.09055	8.8
227.10588	1.0
229.08495	1.2
243.10146	12.6
245.11862	1.3
255.10155	5.7
261.09219	1.2
263.10715	1.5
273.11230	36.5
274.09903	1.0
275.10498	1.0
277.08646	1.5
277.12180	2.9
279.13730	0.8
285.09039	1.8
289.08780	1.4
289.12195	1.3
290.09476	1.0
291.10272	1.5
293.08170	2.9
293.11749	1.4
302.09488	1.0
303.10242	1.6
305.11636	1.0
307.09653	6.0
308.10324	2.9
317.11667	3.5
319.09729	1.2
319.13351	1.3
321.11322	6.3
322.12204	1.0
333.11072	1.4
334.11792	1.3
335.12924	5.0
339.12259	1.8
349.14413	3.7
351.12265	3.9
354.14624	7.0
367.15518	4.3
379.15546	5.0
397.16473	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	397.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89256	0.6
53.97084	0.7
58.13397	0.6
62.13217	0.6
66.83977	0.7
72.71165	0.6
91.05489	2.8
92.21414	1.3
98.33202	0.9
108.60735	0.7
109.06503	0.9
119.04942	1.4
124.16536	0.7
127.46116	0.6
129.06995	1.3
131.08598	0.9
137.05986	44.8
137.07036	1.5
145.06474	0.7
146.07321	0.8
147.04453	1.2
149.06021	1.6
151.07530	5.8
155.08562	1.1
157.06488	1.4
158.07320	0.9
159.08058	3.7
161.05971	6.2
161.09692	1.3
163.07561	0.7
165.06950	0.8
167.08557	1.0
169.06358	0.7
171.08078	1.3
172.08739	0.9
175.07542	1.4
182.07280	1.3
183.08159	1.1
184.08766	0.9
185.09630	3.6
187.07532	3.7
187.11131	0.9
189.09117	1.4
191.07021	2.9
195.08191	0.8
197.09636	6.3
198.06766	7.2
199.07558	4.6
199.11275	0.9
200.08257	0.9
201.09135	2.6
210.06715	0.8
211.07500	1.4
212.08287	1.0
213.09084	15.6
215.10745	4.6
217.08557	0.8
225.09155	8.4
227.10687	0.8
228.07851	1.1
242.09344	1.2
243.10138	12.5
245.11752	1.1
255.10164	4.6
261.09216	1.0
265.08569	1.0
271.07642	0.8
273.09091	1.8
273.11249	33.7
275.10730	0.8
277.08521	1.0
277.12158	0.9
285.09311	0.9
289.08759	0.9
289.12241	1.4
291.10214	3.1
292.07651	0.8
293.08310	0.8
293.11667	2.7
303.10175	3.6
305.11609	1.2
307.09613	6.8
308.10571	1.7
317.11618	2.7
319.09711	0.9
321.11212	5.9
325.10693	1.1
333.11188	3.9
335.12704	4.1
339.12323	2.7
349.14444	3.6
351.12207	4.0
353.13919	1.2
354.14627	7.9
365.13818	1.5
367.15393	2.7
379.15393	5.7
397.16458	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	397.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13226	0.4
57.25376	0.4
59.26241	0.5
60.04422	0.4
62.04627	0.4
69.03419	2.7
83.05004	0.8
91.05472	3.1
105.77992	0.5
107.08583	1.1
111.04427	0.9
113.33917	0.5
119.08582	100.0
133.06508	2.2
135.08038	0.9
157.58391	0.5
163.81441	0.4
164.36670	0.5
235.99710	0.5
397.20126	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	397.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04068	1.6
60.05647	1.7
62.79750	1.0
68.05022	1.3
72.04516	5.4
74.06083	15.3
76.05120	5.6
78.36923	1.0
80.05035	12.8
80.89545	1.0
81.07044	1.2
82.06571	1.3
83.08659	1.1
84.61317	1.0
86.09659	1.2
93.07034	2.3
94.06564	1.5
95.08587	1.2
96.04488	8.0
96.08218	1.1
97.10152	1.3
105.07055	1.4
107.08589	1.6
108.08107	4.8
109.10067	1.0
110.06046	1.2
114.09193	1.4
116.08218	54.9
118.05011	4.4
120.08081	7.0
121.08429	1.5
160.07170	5.1
162.56818	1.5
164.07079	4.6
164.10706	5.0
164.14359	1.7
174.12767	1.2
176.45555	1.4
192.13853	16.0
208.13431	1.7
210.14874	11.0
210.56551	1.1
220.13278	8.3
223.43008	1.1
224.16472	2.0
230.15392	2.5
232.16988	4.7
234.14696	1.4
236.12834	1.3
236.16588	1.2
238.14328	7.0
242.29706	1.2
244.13362	4.4
248.16402	8.6
250.18002	9.5
262.14288	9.0
266.17584	4.7
276.15924	2.5
278.17618	1.9
286.15295	1.5
289.15497	5.6
290.13843	15.5
292.15482	5.2
304.15436	17.2
310.16574	2.0
321.19171	4.1
322.16394	10.6
325.22495	5.7
326.83789	1.2
349.18796	7.6
369.21378	11.7
379.19791	7.9
397.20822	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80220	0.7
56.05045	2.0
66.36202	0.8
68.05038	1.0
70.06585	1.3
74.02444	4.3
74.05746	0.9
74.06090	14.0
80.05045	1.0
81.07069	1.3
84.04486	1.6
86.09713	1.0
94.06583	1.5
96.05631	2.0
97.02898	1.8
97.06407	2.3
98.01425	0.9
106.06548	1.4
108.05640	1.3
109.03995	5.4
110.07168	6.2
120.06562	15.3
120.08029	0.9
122.07156	17.9
123.07939	100.0
124.05124	1.0
124.08698	1.7
134.07133	12.4
135.07974	1.4
136.05084	15.8
136.08699	34.0
137.09483	4.4
138.06625	2.0
146.07155	3.7
147.07936	1.2
148.08708	2.3
149.05928	1.2
150.06618	15.0
150.10229	8.2
151.07420	33.5
152.08212	1.2
160.08658	1.1
162.06590	2.2
164.08191	27.8
164.11865	4.0
172.11238	1.2
175.03763	1.2
178.09784	4.3
178.13435	1.4
181.17960	1.0
188.11908	1.0
192.11331	5.5
192.14928	9.3
204.15024	2.0
206.12898	7.2
206.16415	1.2
214.13428	1.2
220.14468	16.8
232.14441	12.5
234.16028	2.2
235.13210	1.2
236.13930	4.4
238.15309	1.0
244.14487	4.1
249.74139	1.0
250.15500	46.9
251.16203	3.6
252.17079	5.0
260.13940	8.4
262.15533	5.9
265.07202	1.4
278.15002	33.9
279.15765	54.3
280.16519	26.8
296.16000	3.9
369.86676	1.0
397.20819	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	397.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04068	1.6
60.05647	1.7
62.79750	1.0
68.05022	1.3
72.04516	5.4
74.06083	15.3
76.05120	5.6
78.36923	1.0
80.05035	12.8
80.89545	1.0
81.07044	1.2
82.06571	1.3
83.08659	1.1
84.61317	1.0
86.09659	1.2
93.07034	2.3
94.06564	1.5
95.08587	1.2
96.04488	8.0
96.08218	1.1
97.10152	1.3
105.07055	1.4
107.08589	1.6
108.08107	4.8
109.10067	1.0
110.06046	1.2
114.09193	1.4
116.08218	54.9
118.05011	4.4
120.08081	7.0
121.08429	1.5
160.07170	5.1
162.56818	1.5
164.07079	4.6
164.10706	5.0
164.14359	1.7
174.12767	1.2
176.45555	1.4
192.13853	16.0
208.13431	1.7
210.14874	11.0
210.56551	1.1
220.13278	8.3
223.43008	1.1
224.16472	2.0
230.15392	2.5
232.16988	4.7
234.14696	1.4
236.12834	1.3
236.16588	1.2
238.14328	7.0
242.29706	1.2
244.13362	4.4
248.16402	8.6
250.18002	9.5
262.14288	9.0
266.17584	4.7
276.15924	2.5
278.17618	1.9
286.15295	1.5
289.15497	5.6
290.13843	15.5
292.15482	5.2
304.15436	17.2
310.16574	2.0
321.19171	4.1
322.16394	10.6
325.22495	5.7
326.83789	1.2
349.18796	7.6
369.21378	11.7
379.19791	7.9
397.20822	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64215	1.4
57.07082	26.8
67.05480	1.7
69.07069	2.1
71.08636	47.4
81.07066	2.2
83.08601	2.0
85.10180	29.5
88.04009	2.9
89.06030	47.0
90.67158	1.7
91.05484	7.4
93.07035	17.7
95.04986	3.0
95.08613	2.5
107.08604	3.2
109.10187	2.6
119.08601	3.1
121.06507	84.8
121.10120	3.2
123.37546	1.9
133.06062	2.4
133.08572	14.9
133.10161	2.1
144.95697	2.1
147.08055	2.8
147.94188	2.0
164.62122	2.1
165.09093	26.8
168.13814	4.3
177.11200	3.5
182.15387	4.5
209.11737	8.6
210.18530	9.2
213.17296	2.1
271.15405	100.0
278.12402	2.3
291.23212	2.3
340.97430	2.2
343.49640	2.0
379.29492	3.3
397.30173	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	397.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	4.2
57.07062	1.5
67.05519	16.9
69.07077	9.1
79.05500	8.6
80.48316	1.6
81.07052	31.0
83.08630	12.6
85.06541	2.2
85.23355	1.4
91.05476	17.0
93.07040	15.1
95.04957	2.0
95.08610	35.1
97.06529	3.2
97.10168	6.6
105.07046	16.8
107.04971	2.5
107.08607	17.8
109.10188	17.2
111.08050	3.2
114.09161	2.1
117.07025	11.6
119.08580	22.8
121.06497	3.8
121.10131	27.1
123.08107	2.6
123.11710	6.6
125.09626	2.3
131.08569	19.1
133.10130	35.8
135.08075	7.8
135.11697	18.6
137.09605	3.3
139.35323	1.6
143.08607	2.4
145.10172	20.6
147.08034	2.3
147.11676	22.5
149.13263	10.0
154.12248	23.5
155.08488	1.9
157.10124	2.0
159.11664	14.3
161.13260	17.4
163.11247	1.7
163.14847	2.2
165.12704	1.8
168.13849	2.8
171.11655	2.7
171.14949	13.2
173.13243	16.2
175.14819	11.5
177.12708	2.1
182.15353	2.5
185.13271	3.1
187.14828	7.9
189.16443	2.6
196.16959	2.7
199.14810	3.1
201.16336	7.2
205.15990	2.4
210.18651	3.7
215.17999	1.7
219.17384	1.8
229.19258	1.6
233.18950	3.2
235.16774	3.2
241.15898	7.4
271.24133	2.9
272.34302	1.8
281.22565	2.3
289.25235	12.5
298.25424	2.5
299.23724	22.6
301.18042	1.7
316.26334	19.0
317.24759	89.2
317.28445	3.7
333.29083	12.1
334.27338	32.8
344.25815	3.1
351.30029	100.0
351.34457	3.6
361.28485	21.8
362.26630	3.7
379.29529	89.8
380.27808	8.4
389.97815	2.1
397.27161	24.1
397.30856	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	397.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	3.0
67.05514	18.1
69.07077	9.1
73.58446	1.5
79.05486	7.2
81.07063	27.3
83.04972	2.0
83.08618	11.1
85.06548	2.8
91.05480	14.3
93.07033	15.6
95.08612	27.9
97.06528	7.2
97.10149	2.9
103.66212	1.9
105.07045	16.9
107.04964	1.8
107.08605	13.4
109.10162	15.8
117.06989	11.9
119.08588	18.1
121.06516	6.7
121.10145	23.2
123.08095	1.6
123.11676	8.3
125.09647	2.9
131.08572	19.0
133.10123	24.8
135.08073	7.8
135.11703	13.5
139.07619	1.8
145.10153	16.0
147.11707	22.8
149.09625	3.9
149.13280	7.9
151.11093	1.9
154.12277	2.9
155.08536	1.9
155.51599	1.8
159.11676	11.2
161.13286	14.8
163.11172	2.6
163.14844	1.7
165.00000	1.6
165.12657	1.7
168.13931	5.9
171.11703	3.8
173.13266	10.8
175.14850	10.1
177.12755	2.7
182.15349	6.5
185.13243	6.9
187.14786	3.2
189.16351	2.9
191.10701	2.6
196.16910	3.2
199.14798	3.6
201.16360	2.3
205.15860	2.9
210.18521	9.7
219.17386	2.0
233.19020	1.7
254.34085	1.9
256.98840	1.6
262.60114	1.8
271.24091	2.0
275.23700	2.2
289.25256	8.7
298.25494	1.8
299.23831	17.7
316.26370	14.2
317.24725	67.9
333.29147	3.9
334.27438	21.2
351.30048	100.0
361.28424	9.4
362.26862	3.6
379.29562	92.0
380.28018	5.9
397.31033	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	397.306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.5
56.05044	6.2
60.98915	0.4
66.93517	0.4
67.05523	3.5
69.07075	4.5
81.07050	3.0
83.08607	2.1
84.08120	0.5
85.02257	0.5
91.05465	0.8
93.07037	2.3
95.08607	3.7
97.10172	1.1
107.08561	3.3
109.10161	11.1
111.08049	0.9
111.11705	1.2
119.08592	2.8
120.79102	0.5
121.10154	0.6
125.09626	1.1
127.45427	0.5
133.10072	0.5
136.11237	2.3
137.09627	3.0
139.11223	0.6
140.78177	0.5
145.10107	0.6
153.13882	4.6
154.12267	100.0
163.14786	2.6
170.83290	0.5
171.14914	46.0
172.13293	1.9
173.13327	0.7
180.17455	2.4
224.20103	3.9
226.18011	2.4
245.17599	0.5
254.41748	0.6
270.94644	0.5
296.42188	0.6
361.28421	4.6
362.27017	4.2
379.29575	15.3
380.28018	1.2
397.22409	1.0
397.25906	0.9
397.30695	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	397.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36722	0.8
52.12463	0.9
55.05531	3.9
56.05051	6.9
67.05527	5.7
69.07073	6.1
79.05530	4.0
81.07072	8.0
83.08640	5.0
84.08176	1.6
85.06575	1.4
90.85764	0.9
91.05494	3.5
93.07050	3.9
95.08607	8.2
97.10181	4.9
98.09758	1.1
100.07609	1.0
104.12371	0.8
105.07056	1.7
107.08629	4.5
109.10167	4.0
111.08064	1.4
119.08614	0.9
121.10133	2.1
123.11716	4.0
124.10399	1.0
124.11208	1.5
125.09647	4.2
133.10159	1.5
135.08069	1.6
149.13275	3.5
151.07513	8.3
151.11176	1.4
154.12358	1.2
159.11636	1.1
160.05182	1.2
163.14902	1.6
166.15938	2.0
167.15485	4.6
168.13824	100.0
170.11766	3.6
175.07594	4.6
175.14911	1.5
182.15300	1.0
185.16499	30.2
186.14894	2.0
189.59135	0.9
196.16966	1.3
199.07700	1.7
209.20213	4.2
210.18513	99.0
212.16545	3.6
227.21144	12.6
269.10196	0.9
272.27036	0.9
305.11969	0.9
306.12692	1.4
337.14249	2.3
361.28290	6.7
362.26953	4.9
365.25385	1.4
379.29614	18.4
380.27963	8.9
397.22537	2.9
397.30789	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	397.306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	1.3
56.05043	5.1
56.51980	0.6
67.05523	3.4
69.07085	1.6
71.02190	0.6
79.05495	1.1
80.65455	0.7
81.07072	6.9
83.08626	4.8
91.05494	1.1
93.07056	2.9
94.85345	0.7
95.08623	4.1
95.54930	0.7
97.10188	4.4
107.08553	2.4
109.10145	1.7
111.08125	1.0
114.56161	0.7
123.08058	0.8
123.11662	1.6
124.11235	3.2
125.09608	1.2
133.10167	3.1
147.11758	0.7
149.13269	1.7
150.12814	0.8
151.07550	1.2
151.11307	0.7
163.14854	1.1
166.15967	1.0
167.15460	2.8
168.13834	74.5
169.41580	0.7
170.11792	3.3
175.14796	2.6
182.15434	4.0
184.13403	0.7
185.16486	21.8
186.14876	1.0
191.02478	0.8
193.15810	1.0
196.16968	0.8
209.20145	4.9
210.18527	100.0
212.16446	1.7
217.41591	0.8
227.21126	11.5
273.17871	0.8
344.26004	1.4
361.28439	6.2
362.26929	4.3
379.29611	15.6
380.28030	7.5
397.30719	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	397.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47915	0.8
56.61555	0.9
57.06828	1.3
57.07085	25.9
63.21287	0.9
67.05502	1.3
69.07066	5.7
71.08636	18.6
79.05497	1.6
81.07069	4.7
83.08613	4.7
83.95881	1.1
85.10174	9.1
86.09713	1.5
93.07037	4.2
95.08599	3.8
107.08649	4.0
110.09700	2.2
121.10143	1.9
124.11210	4.3
129.55695	1.0
149.13255	14.3
159.11722	1.3
166.03548	1.1
166.15900	59.3
179.18196	1.1
184.16968	1.1
184.20622	7.0
186.22163	41.6
194.15468	1.6
212.16449	43.3
329.60678	1.3
343.52628	1.1
352.35965	4.0
380.35172	25.8
397.37894	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00377	0.8
50.43906	0.6
52.60381	0.7
57.07072	4.0
59.21270	0.7
67.05494	1.3
67.61148	0.8
69.07064	4.3
70.24603	0.8
71.08633	4.0
77.26221	0.9
80.88368	0.8
81.07043	1.3
85.10191	1.0
93.07047	1.8
95.08613	0.8
97.06514	1.1
101.84877	0.9
107.08521	0.8
109.10208	1.1
119.08617	1.1
135.11676	6.8
135.45070	0.8
152.14352	5.1
153.12767	1.5
198.14905	5.3
198.22186	9.6
200.23730	100.0
225.50223	0.9
268.26294	1.0
276.06247	0.8
280.02054	0.9
321.91159	0.9
352.35779	18.2
380.35284	19.0
397.37885	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	398.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
63.70448	1.5
64.87009	1.2
65.38181	1.2
93.07050	2.1
95.08624	1.5
98.36456	1.4
103.31112	1.5
105.07027	1.5
135.07962	1.3
144.04382	1.4
147.04471	2.3
159.04395	2.2
160.05156	2.0
174.05493	16.1
190.05022	1.6
236.31717	1.7
253.13931	1.7
279.54105	1.4
294.07706	2.5
304.10168	1.4
305.07022	1.9
307.05176	1.6
307.08493	6.0
308.05692	6.7
316.69122	1.3
321.06253	1.9
322.07077	12.0
323.07971	6.9
333.06207	2.4
336.04968	6.5
336.08798	5.8
338.10196	15.6
350.06326	1.9
351.07385	22.9
366.09711	100.0
398.12344	89.8
398.25677	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	398.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37576	0.7
60.64379	0.6
68.61886	0.7
73.04756	3.9
73.40707	0.7
89.65102	0.6
91.05793	10.6
97.44323	0.6
113.00887	0.6
146.32800	0.7
162.22720	0.8
174.05507	7.7
189.98041	0.7
207.02875	28.1
251.52281	0.7
307.08383	1.2
320.05536	0.8
322.07175	4.5
323.07932	1.3
324.08408	0.9
336.04919	1.7
338.06537	4.0
338.10245	3.4
342.99573	1.4
351.07379	6.8
352.08127	80.9
353.08954	8.7
357.04883	2.8
359.02850	5.1
366.05212	1.3
366.09750	41.0
367.10526	38.3
367.15225	0.8
368.11179	4.9
398.12326	100.0
422.76639	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	398.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85490	0.4
58.07894	0.5
66.69561	0.5
69.98988	0.5
70.06596	3.1
84.45836	0.6
98.09691	1.0
99.08048	0.8
106.30339	0.6
109.10303	0.6
112.07606	7.2
116.73303	0.7
149.02325	2.5
163.07515	1.5
171.51688	0.6
172.03972	3.0
175.06261	7.7
175.07420	0.5
190.05008	5.8
190.08635	40.2
206.08170	0.7
207.02917	4.5
212.16451	2.3
242.84497	0.6
250.18143	0.6
264.10220	3.5
266.08102	0.7
268.19238	1.1
278.08286	0.7
280.09634	0.7
292.09671	55.3
294.07587	2.7
294.63080	0.7
295.08530	0.9
296.09311	2.5
306.07620	0.8
307.08511	2.9
308.05612	2.9
308.09052	1.2
309.10107	2.5
310.10818	0.8
322.07104	5.9
323.07825	4.9
324.08582	4.7
334.07043	0.7
335.07965	3.2
336.05060	6.2
338.10211	14.7
339.07306	2.5
339.11099	3.1
349.08618	0.9
350.06729	2.5
351.07272	3.0
366.09747	54.5
367.10516	1.4
370.12683	0.8
380.07693	1.2
398.12363	100.0
398.29193	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	398.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56817	0.7
116.04990	1.0
126.46149	0.7
126.89956	0.8
144.04480	2.0
147.04390	1.5
150.03314	0.9
159.04417	3.4
174.05496	16.0
190.05000	1.9
265.07422	1.5
278.08243	1.5
279.09094	1.3
292.07166	1.6
294.07623	3.1
294.10968	1.2
305.06958	1.2
306.07681	1.4
307.08255	5.9
308.05527	6.7
308.09085	1.6
321.06598	1.2
322.07108	13.8
323.07867	4.9
333.06277	3.4
335.08105	1.0
336.04996	9.0
336.08746	4.3
338.10147	15.5
348.08475	1.2
350.06674	6.3
351.07397	24.8
366.09714	100.0
398.12329	82.7
398.98230	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	398.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57312	0.7
54.46975	0.6
54.97467	0.6
56.28722	0.8
61.29347	0.6
63.02831	0.6
70.06621	0.9
71.06122	7.6
74.02438	1.9
77.00627	7.0
77.00999	0.7
85.06532	1.1
86.06057	1.3
99.05543	0.9
102.76948	0.7
105.08244	0.6
110.00974	1.2
110.07134	1.5
115.08657	1.0
118.03237	23.7
120.01129	1.5
120.04839	1.0
121.06459	1.0
124.07532	0.9
130.03242	7.0
131.06299	0.9
132.04791	0.8
142.08644	3.6
147.02214	6.2
147.05872	100.0
149.07434	20.7
151.98352	31.6
153.92625	0.7
173.03777	0.9
176.02043	1.8
184.09674	4.1
197.04156	4.5
205.04672	1.7
213.12326	1.6
222.07330	0.9
239.05188	1.1
251.05014	1.3
259.11194	1.2
268.07831	82.5
278.06137	0.8
293.09729	1.4
307.65225	0.9
325.21194	0.7
380.13055	19.6
398.14252	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	398.149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.3
58.99484	0.5
86.84615	0.6
92.21080	1.3
107.81922	0.7
110.78316	0.5
114.22903	0.7
130.38165	0.6
134.04581	0.8
148.13586	0.7
182.04950	100.0
194.04990	1.4
200.05624	0.7
219.06921	0.7
224.06024	0.9
231.06987	6.7
248.09642	18.1
266.10681	76.7
277.54388	0.7
310.02109	0.7
311.74661	0.7
324.93494	0.7
398.14923	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	398.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17756	0.7
55.01866	1.3
56.60526	0.8
57.03427	1.9
61.02912	0.9
64.53335	0.8
69.03436	8.2
71.05012	0.8
73.02914	1.8
73.06564	21.1
75.77710	0.8
81.03426	4.9
82.19774	0.9
85.02904	27.1
86.09744	1.4
87.00820	7.8
87.04472	46.8
89.53043	0.9
95.08598	3.7
97.02908	13.5
99.04465	3.8
101.78066	0.9
103.03937	5.1
105.01871	13.2
109.02860	8.3
109.10193	1.3
113.09647	1.4
115.07570	31.5
119.08612	7.4
119.09408	0.9
127.03917	21.5
129.01761	1.2
132.00552	1.0
133.08611	100.0
137.09642	12.2
145.04913	7.0
155.10670	1.7
158.30809	0.9
159.02852	5.0
160.07219	1.1
165.09111	4.6
183.10153	4.6
201.11290	10.6
201.14917	1.9
219.12231	6.5
231.04982	3.7
249.06076	1.3
296.75626	1.2
307.10245	5.2
381.44205	1.0
398.12558	1.4
406.14047	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	398.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17756	0.7
55.01866	1.3
56.60526	0.8
57.03427	1.9
61.02912	0.9
64.53335	0.8
69.03436	8.2
71.05012	0.8
73.02914	1.8
73.06564	21.1
75.77710	0.8
81.03426	4.9
82.19774	0.9
85.02904	27.1
86.09744	1.4
87.00820	7.8
87.04472	46.8
89.53043	0.9
95.08598	3.7
97.02908	13.5
99.04465	3.8
101.78066	0.9
103.03937	5.1
105.01871	13.2
109.02860	8.3
109.10193	1.3
113.09647	1.4
115.07570	31.5
119.08612	7.4
119.09408	0.9
127.03917	21.5
129.01761	1.2
132.00552	1.0
133.08611	100.0
137.09642	12.2
145.04913	7.0
155.10670	1.7
158.30809	0.9
159.02852	5.0
160.07219	1.1
165.09111	4.6
183.10153	4.6
201.11290	10.6
201.14917	1.9
219.12231	6.5
231.04982	3.7
249.06076	1.3
296.75626	1.2
307.10245	5.2
381.44205	1.0
398.12558	1.4
406.14047	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	398.181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08855	0.4
53.03955	0.6
54.77032	0.3
55.05511	0.9
56.05030	0.6
60.04538	0.4
60.05655	0.4
70.06585	4.2
71.05014	0.5
72.04515	0.6
72.08155	8.0
73.08508	0.7
74.06084	0.8
76.05119	1.0
81.03430	0.7
84.04492	2.0
84.08143	4.9
85.02904	1.9
86.09702	2.6
89.06013	0.6
91.05500	1.9
93.07032	4.0
97.02888	3.8
98.06049	0.4
99.04453	6.0
102.05637	0.5
103.05460	1.9
107.04977	3.2
108.04501	2.6
110.07159	3.0
116.08223	2.6
118.05010	2.1
120.08120	0.7
121.06506	100.0
122.06025	4.9
126.05515	4.8
129.09378	0.5
129.10248	2.9
136.07574	0.9
143.11867	0.7
144.06548	2.8
148.07597	2.3
150.09137	0.8
156.07629	0.6
160.07188	1.7
162.07628	3.0
168.35316	0.4
210.08066	0.5
216.41087	0.5
221.16534	1.7
239.17566	2.7
246.11240	5.1
249.09846	0.5
264.12384	2.5
282.13419	4.0
319.19894	0.6
362.15958	7.2
380.17004	29.9
397.91434	1.0
398.18103	25.7
398.23688	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	398.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	19.4
58.00309	2.6
59.05003	3.9
60.04533	2.9
69.03432	82.2
69.07073	35.6
73.02937	3.2
73.03345	2.8
73.60812	2.7
83.82064	3.3
85.02431	5.2
85.02906	92.7
87.04474	79.7
93.07032	4.1
95.08589	2.8
97.02892	75.4
99.04456	5.9
101.02377	3.5
109.02893	4.4
111.08080	11.9
115.03921	100.0
117.09100	3.4
119.08562	5.2
127.03887	24.4
133.04962	85.6
137.09633	14.8
141.40482	3.3
145.04971	42.9
150.07617	11.6
163.05945	24.0
165.09146	3.3
169.04918	3.5
183.10156	4.0
201.11238	31.1
212.85286	2.7
219.12259	7.4
247.97475	3.0
259.08078	6.0
295.10275	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	398.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16969	0.7
55.02101	0.7
56.05027	0.8
65.41614	0.7
69.03428	5.2
81.03416	5.2
85.02911	54.6
97.02895	11.9
99.04459	14.9
101.02431	0.9
103.03947	100.0
109.02880	10.6
127.03918	89.2
145.04958	35.3
163.06012	34.4
180.39272	0.8
187.05945	1.2
205.07207	1.3
215.75531	0.8
271.08127	4.7
289.09259	6.5
289.11896	0.8
307.10245	25.5
363.16373	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	398.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04528	2.6
61.09113	0.3
64.37843	0.3
68.10584	0.3
70.06587	0.6
72.08170	0.5
72.63773	0.3
83.06104	2.1
84.04498	0.5
84.08150	1.8
85.02927	0.3
85.16190	0.3
86.09713	2.0
92.60645	0.3
93.04519	1.3
101.51024	0.3
102.05547	0.7
102.07056	0.3
110.07170	100.0
111.05584	1.3
112.03954	0.4
119.04955	0.5
120.08106	0.5
121.08463	0.4
127.34120	0.3
129.10268	1.3
136.07596	0.7
138.06648	1.3
143.07126	0.4
147.04414	11.4
156.07689	3.7
159.30139	0.4
162.06697	0.7
163.09787	0.6
166.06168	0.4
178.13364	1.5
179.09280	4.7
190.06107	0.5
191.09296	0.7
197.10336	0.4
203.09331	0.7
207.08766	1.9
219.08751	0.8
221.10353	1.8
223.15508	3.7
225.09909	0.4
231.08760	0.5
236.09241	1.3
239.11351	1.2
249.09753	4.5
251.15094	0.7
267.10931	6.6
269.16025	3.9
285.11926	0.6
350.18384	0.6
362.18463	0.4
380.19293	3.1
386.79349	0.4
394.63324	0.3
398.20386	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	398.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07087	0.5
65.03939	0.3
66.02618	0.3
85.10175	1.5
112.99960	0.3
118.24842	0.3
121.02857	0.4
138.09148	0.5
149.02351	100.0
164.07086	0.3
167.03430	0.3
189.97975	0.3
233.11659	2.1
240.06557	0.3
240.10150	4.0
250.08641	0.5
266.08145	1.8
267.08875	1.6
268.09683	1.7
286.70929	0.3
296.12805	6.4
369.19327	0.3
398.23288	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	398.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11152	0.7
55.05517	3.2
63.23584	0.6
67.05515	1.4
70.06231	1.5
70.06595	25.0
71.08644	0.9
81.07060	1.3
82.06588	0.9
83.08638	4.1
84.08154	1.5
87.04523	0.8
93.04328	0.6
93.07067	0.9
95.01472	0.7
95.08609	1.0
96.08175	0.8
97.10155	5.7
98.09694	15.5
104.61321	0.7
105.07085	0.7
107.08617	0.9
108.46585	0.6
109.10184	0.8
112.07602	95.2
113.09650	0.9
114.09175	3.0
125.09618	6.6
129.28235	0.7
140.11902	2.7
193.12373	1.1
210.18587	1.3
212.16447	52.9
213.99896	0.8
250.17920	5.3
268.19064	11.4
280.19217	0.9
298.20129	0.9
366.24017	1.2
380.28058	4.2
398.29108	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84161	1.1
54.04642	1.0
55.05512	2.4
56.05043	2.7
56.97087	1.1
57.07062	1.1
60.04533	100.0
60.04844	3.5
65.98824	1.1
67.05510	11.4
69.07064	7.6
72.71194	1.5
74.06086	2.9
79.05511	1.9
79.67284	1.1
81.07048	14.2
82.06577	1.2
83.08609	3.4
85.10163	1.8
86.06068	2.9
91.05482	3.4
93.07053	2.6
95.08614	12.7
97.10168	1.7
98.06120	1.4
109.10152	6.9
121.10194	1.6
123.11703	1.4
133.10089	1.7
139.49556	1.4
142.12222	1.4
143.78403	1.2
144.13846	29.1
180.84500	1.3
203.04129	1.5
213.49342	1.3
228.49065	1.5
250.25420	2.4
262.25348	2.2
268.26147	2.1
276.21982	1.3
280.26309	20.9
298.27414	30.1
380.34802	1.7
398.36270	89.9
408.67114	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	399.069
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79631	5.2
52.87749	5.7
63.04977	5.8
64.87344	6.2
85.99606	6.5
94.93029	7.8
97.02901	10.1
97.80192	6.0
107.68467	6.3
125.66657	6.4
136.06261	11.7
166.43303	8.5
169.52536	6.8
276.88660	6.8
399.06912	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99664	0.5
53.03954	1.0
55.01883	0.6
55.11209	0.5
56.05041	0.9
57.04530	0.5
61.01160	18.1
61.02922	0.8
64.92738	0.6
69.03442	10.0
70.06580	3.2
71.38315	0.6
73.02921	1.2
77.01756	1.0
78.67814	0.6
81.03431	10.7
84.08155	3.6
85.02915	9.4
86.00657	0.8
86.09721	0.9
91.02176	27.3
97.02905	9.7
99.04443	2.4
101.02355	0.6
102.05547	2.7
103.03287	5.6
103.03879	0.8
104.01692	3.3
109.02883	18.7
110.07091	0.6
111.95802	0.7
121.04330	21.9
127.03902	15.5
129.10251	0.9
133.04308	38.9
136.06194	2.5
139.24284	0.7
145.05014	1.5
147.04439	1.1
185.12668	0.7
187.05998	9.9
195.06496	0.7
195.07959	6.0
205.07051	1.4
250.09361	3.1
304.58951	0.8
328.04678	0.7
367.25549	0.7
399.14343	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	399.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44265	1.0
53.90504	1.0
56.05042	16.8
60.12071	1.1
61.01147	5.9
65.60360	1.0
66.20087	1.1
69.03421	4.9
71.00645	1.1
73.02927	4.9
74.02442	2.7
74.06071	6.0
75.02711	1.7
76.56713	1.0
80.34966	1.1
84.04488	1.5
85.02895	2.0
89.63091	1.0
97.02887	100.0
102.05548	35.7
116.14208	1.1
120.75665	1.2
136.06186	94.9
145.03146	4.4
145.79289	1.1
152.05661	2.0
163.04231	1.3
169.88104	1.2
178.17422	1.1
188.30534	1.1
234.99074	1.8
250.09328	96.3
264.08810	2.9
298.09662	21.2
316.95850	1.2
399.07114	2.9
399.14529	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	399.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44265	1.0
53.90504	1.0
56.05042	16.8
60.12071	1.1
61.01147	5.9
65.60360	1.0
66.20087	1.1
69.03421	4.9
71.00645	1.1
73.02927	4.9
74.02442	2.7
74.06071	6.0
75.02711	1.7
76.56713	1.0
80.34966	1.1
84.04488	1.5
85.02895	2.0
89.63091	1.0
97.02887	100.0
102.05548	35.7
116.14208	1.1
120.75665	1.2
136.06186	94.9
145.03146	4.4
145.79289	1.1
152.05661	2.0
163.04231	1.3
169.88104	1.2
178.17422	1.1
188.30534	1.1
234.99074	1.8
250.09328	96.3
264.08810	2.9
298.09662	21.2
316.95850	1.2
399.07114	2.9
399.14529	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	399.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.6
55.01877	0.8
57.03446	4.4
61.02921	2.5
69.03146	0.5
69.03439	7.5
70.06598	0.6
71.04996	0.8
73.02907	1.0
81.03411	2.9
85.02911	22.6
87.04461	0.9
87.82865	0.5
97.02885	7.3
99.04469	1.1
103.03955	2.5
103.05471	15.9
109.02888	3.3
111.55562	0.5
115.03986	0.8
126.14493	0.5
127.03915	5.3
131.04932	100.0
137.91487	0.5
145.04942	2.5
148.05196	14.5
151.03896	1.1
152.07072	10.0
160.05220	0.6
161.05962	4.6
163.07542	50.4
166.08626	2.4
182.08109	9.6
194.08133	28.6
200.09196	0.7
201.09122	1.2
211.89035	0.5
212.09193	16.3
219.10228	1.3
229.09848	0.7
237.11212	9.5
243.11250	1.1
252.16873	1.0
271.10770	4.9
317.11209	0.7
363.15521	2.3
381.16443	3.4
398.33450	0.6
399.17014	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	399.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18491	0.3
63.97289	0.3
70.06580	1.7
72.08163	1.4
79.05526	0.5
84.08133	0.7
85.02908	0.7
86.09689	0.5
94.06568	0.7
94.79027	0.3
97.02921	0.4
107.04995	0.4
116.07038	0.4
122.06052	2.8
124.07574	0.5
136.06152	0.4
138.05521	5.0
139.06277	0.5
140.07062	0.6
145.04941	0.4
147.04314	0.4
152.07051	3.8
153.07823	1.7
154.08636	2.5
157.09750	0.4
164.07079	1.8
166.04991	1.7
167.05780	1.4
171.07605	0.9
180.06509	3.9
182.08125	100.0
184.06038	0.4
185.09175	0.5
189.61650	0.4
194.08115	2.9
198.07634	5.2
200.09164	21.8
200.10985	0.8
204.06561	0.4
212.09225	0.7
214.10811	0.6
223.10783	0.6
229.09756	0.4
243.11426	0.7
271.10736	1.6
276.32303	0.4
282.07431	0.4
289.11838	1.5
299.10242	0.5
305.11136	0.6
307.13092	1.1
317.11197	0.6
331.12869	0.5
335.12244	2.4
349.13977	0.7
364.68036	0.4
367.15027	10.3
399.17313	1.5
399.22385	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	399.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01632	0.3
52.96892	0.3
53.18408	0.4
62.79631	0.4
69.03429	0.9
69.07083	0.4
72.51392	0.4
74.15469	0.4
74.35800	0.4
85.02911	0.6
86.14200	0.6
87.04465	1.1
97.02902	0.8
98.60943	0.4
110.06030	0.9
115.03922	1.8
127.46815	0.4
133.04996	1.7
152.07074	28.6
166.08652	5.8
182.08095	2.6
194.08138	100.0
196.97174	0.5
200.09222	0.8
212.09183	63.8
215.11818	0.9
229.09787	1.7
243.11243	5.8
252.72545	0.4
256.32343	0.5
257.09219	2.0
271.10782	13.2
289.11615	0.5
299.10266	1.8
335.12442	3.4
349.13980	2.1
399.17609	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	399.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04538	0.4
69.03439	0.9
70.06593	4.8
72.08156	1.2
81.03466	0.5
81.05358	0.4
84.04503	0.8
84.08138	0.9
84.77850	0.5
85.02927	3.8
85.04861	0.5
86.09704	3.5
86.92401	0.5
87.77213	0.5
94.84279	0.4
97.02869	1.8
99.04398	0.5
103.05471	1.9
104.15691	0.4
110.06054	1.1
110.07152	1.8
112.04921	0.6
116.07111	0.6
118.36832	0.4
121.03983	1.2
122.06021	1.0
126.05546	1.0
127.03925	0.7
129.10191	0.8
130.74945	0.4
131.04924	8.8
136.07576	0.6
145.04907	0.5
147.04440	0.6
148.30260	0.4
151.03922	3.4
152.07060	35.4
163.07532	4.4
166.08635	11.1
167.05800	0.7
172.69469	0.5
182.08115	31.9
192.13882	0.5
194.08125	100.0
198.07570	1.0
198.09143	0.6
200.09200	4.0
202.70210	0.5
212.09166	53.1
215.11818	1.1
226.08742	0.6
228.10150	0.8
229.09668	3.3
243.11247	7.6
257.09238	3.4
267.59735	0.5
271.10754	20.2
271.13525	0.9
281.09140	0.6
282.55157	0.5
295.09888	0.5
299.10202	3.2
317.11414	3.3
335.12369	2.5
349.14215	0.7
363.15488	7.0
381.16522	7.8
399.17667	9.9
399.22623	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	399.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22761	0.4
55.05518	1.1
57.07091	0.5
65.61163	0.4
67.05502	1.1
69.07062	3.4
69.15958	0.4
74.69540	0.5
79.05486	0.9
81.07057	3.6
83.08624	0.9
91.05436	0.9
93.07044	2.8
95.08603	6.6
105.07053	4.5
105.61869	0.5
107.08580	4.1
109.10162	5.4
117.07047	0.7
119.08588	13.7
121.10115	4.0
123.11752	2.0
129.06995	0.8
131.08582	3.0
133.10120	5.1
135.11728	1.3
143.08531	4.5
145.10127	14.9
147.11682	4.0
149.13278	1.2
155.08565	1.1
156.09340	0.6
157.10121	9.2
158.72473	0.5
159.11688	8.6
161.13319	3.8
169.10062	4.7
171.11665	9.4
173.13263	3.5
175.14798	0.9
181.10141	0.8
182.10953	0.8
183.11609	4.1
185.13237	8.1
187.14868	3.2
195.11708	2.4
197.13251	2.9
199.14825	8.2
201.16391	2.5
207.11699	1.1
209.13255	2.6
211.14771	4.0
213.16403	6.0
215.18256	0.6
221.13274	2.5
223.14922	2.2
225.16417	3.1
227.17931	3.8
233.13266	1.3
235.14810	2.6
237.16435	2.5
239.17928	1.2
241.19577	0.8
245.13266	0.7
247.14856	0.9
249.16324	2.3
251.17987	1.3
253.19432	0.8
261.16342	1.1
263.17987	2.6
265.19470	2.9
273.16315	0.7
275.17999	1.0
277.19470	2.6
279.21063	1.0
287.17963	1.1
289.19595	0.9
291.21085	2.1
301.19653	1.2
303.21115	1.1
313.19144	0.7
315.21075	2.0
317.22638	0.9
327.80417	0.6
329.22607	2.7
341.22577	0.7
343.24313	4.5
356.25177	0.8
357.25949	2.3
369.26080	0.8
384.27921	1.8
399.30484	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36507	0.9
55.01883	3.0
55.05510	6.9
56.05027	1.3
57.03180	1.0
57.03442	6.2
67.05512	18.2
69.03437	2.2
69.07077	9.5
70.06587	5.1
71.04990	2.2
71.08643	1.7
74.90944	1.1
75.37540	1.1
79.05500	8.8
81.03414	7.8
81.07061	14.0
83.04974	2.9
83.08627	6.9
84.89902	1.2
85.06528	1.6
86.06068	18.4
87.04462	9.7
91.05499	6.9
93.07043	11.2
95.04961	6.2
95.08617	9.1
97.06541	5.0
97.10172	6.5
98.06057	34.7
98.09748	1.6
104.07120	4.3
105.07043	6.4
107.04954	5.8
107.08604	10.0
109.06532	8.5
109.10157	12.3
111.04459	5.1
111.08139	1.3
112.07611	16.3
113.06025	1.4
113.07946	5.6
115.07584	1.5
117.06951	1.7
119.08572	14.8
121.06502	5.2
121.10147	7.5
123.04475	1.8
123.08074	4.4
124.07618	4.7
125.05985	1.7
125.09650	6.4
128.15187	1.2
131.08521	4.0
133.10089	5.1
135.08066	2.9
135.11696	5.5
137.09628	60.6
139.07555	1.7
142.15930	8.0
145.10114	1.5
147.11681	5.7
149.09523	1.5
153.12703	1.4
154.12282	7.0
155.08536	1.8
157.10139	1.6
159.08061	2.9
159.11707	5.6
163.11234	1.7
187.11221	2.1
189.11241	2.9
193.12270	2.3
194.15381	1.6
204.13847	2.2
210.18573	10.4
212.16446	6.0
213.16841	5.7
219.13788	1.5
222.14876	39.4
228.19562	60.2
233.15417	2.1
240.15894	1.6
257.18585	100.0
289.17975	13.5
307.19052	6.9
332.23389	1.7
349.25854	1.5
359.15561	1.4
363.21780	12.1
364.28500	2.5
381.22736	20.1
381.30927	5.5
390.86166	1.3
399.23718	20.4
399.32712	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	399.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10673	1.0
55.01891	5.5
55.05526	7.4
57.03460	4.8
60.05655	1.4
61.61838	1.2
66.23553	1.1
67.05505	14.5
69.03431	3.0
69.07079	8.4
70.06599	12.4
71.05009	1.5
71.08628	1.6
79.05512	3.2
81.03426	2.0
81.07058	21.1
81.07410	1.2
83.05000	7.7
83.08640	8.5
84.51934	1.3
85.06541	1.7
86.04744	1.2
86.06078	13.3
86.09751	1.2
87.04465	12.8
91.05476	18.9
91.05903	1.2
93.07055	12.5
95.04997	6.3
95.08599	11.4
97.06566	6.6
97.10168	2.0
98.06063	50.2
100.11270	10.8
104.07143	3.3
105.07017	13.0
107.08585	16.3
109.06564	7.3
109.10164	27.0
111.08144	6.9
113.06003	1.5
119.08566	10.8
121.10183	6.0
123.08111	2.5
123.11720	2.5
124.07603	5.9
125.09639	3.1
131.08607	2.5
133.10130	35.7
133.11053	2.1
133.38071	1.3
135.08072	3.4
137.09679	5.9
138.80859	1.4
140.10764	2.2
147.11761	2.3
149.02347	14.9
149.09637	2.5
151.11153	12.1
154.12247	2.5
158.11754	18.0
161.09709	2.1
161.13333	2.6
165.09204	6.0
168.13832	13.2
172.13290	21.7
179.14430	8.6
180.68758	1.6
183.10191	3.5
186.14893	100.0
193.04950	12.0
196.17085	8.7
211.13387	1.6
219.60194	1.5
228.82487	1.7
247.17076	1.8
251.09142	2.5
261.18686	2.4
264.19519	26.4
265.18167	3.0
289.18115	9.7
299.23260	42.5
304.17114	3.0
307.19034	10.4
309.60876	1.6
341.28290	2.1
363.21753	2.5
381.22562	14.6
399.23975	71.3
399.28345	6.6
399.32858	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	399.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32698	0.6
55.01863	0.8
55.05511	2.7
57.03432	2.9
60.05639	1.4
64.24617	0.5
67.05516	5.1
69.07075	4.9
70.06584	1.5
71.04981	1.2
76.71496	0.6
79.05488	4.0
79.93990	0.5
81.03393	0.9
81.07067	6.2
83.08609	1.5
85.06528	0.6
86.06050	7.0
87.04469	8.2
91.05473	3.1
93.07039	3.0
95.04961	1.0
95.08600	3.2
97.06530	1.5
97.10168	3.9
98.06052	40.5
98.09734	0.7
104.07100	1.2
105.07023	2.9
107.04957	0.9
107.08582	4.1
109.06493	1.3
109.10151	3.3
112.07604	3.7
113.07935	0.8
119.08566	2.4
120.30772	0.6
121.06493	1.2
121.10131	3.1
123.08088	2.9
123.11694	0.6
124.07525	0.7
125.06018	0.9
125.09622	2.8
125.10618	0.5
128.14368	10.8
130.08641	3.7
131.08559	1.2
133.10126	3.6
135.08054	2.9
137.09564	0.9
139.11131	0.7
145.10135	0.9
147.08084	0.8
147.11661	2.4
151.07610	0.6
151.11189	6.5
157.10074	0.7
159.08049	2.7
166.13385	2.6
168.13821	4.5
190.08565	1.0
191.09052	0.7
196.17004	9.8
202.52119	0.6
203.03484	0.7
214.18005	100.0
215.91663	0.6
220.14441	0.8
233.15393	1.0
236.16420	14.0
237.17009	4.4
253.16510	0.8
259.13773	0.7
271.17130	1.6
271.20126	24.4
289.17902	4.1
293.10095	3.5
307.18994	1.1
310.00809	0.8
323.07501	0.8
326.77127	0.7
332.23386	2.6
339.10541	4.1
349.26230	8.2
353.08398	3.9
363.21704	3.5
367.10184	4.4
368.10715	2.8
381.22601	7.6
381.28040	2.5
399.12625	14.1
399.23660	6.5
399.32498	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	399.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65295	0.4
62.15681	0.4
67.05424	1.0
69.03375	0.5
69.06983	4.2
70.06511	1.1
75.10508	0.4
81.06976	2.0
83.04925	0.5
86.05975	7.5
87.04376	6.9
91.05418	0.4
92.21493	0.9
93.06963	0.5
95.08524	1.8
98.06057	35.5
98.06633	1.9
104.06976	1.9
105.06989	0.6
107.08546	1.7
109.10125	0.7
112.07494	2.3
118.23808	0.5
119.08556	1.3
123.11620	0.6
124.07455	0.5
125.09540	0.4
128.14359	9.2
128.88011	0.4
130.08679	3.7
131.08516	0.5
133.10059	2.2
135.11635	0.7
135.37198	0.4
145.10030	0.6
147.11667	0.6
151.11197	5.0
168.13768	2.2
190.04863	0.6
191.05322	0.5
191.68620	0.4
195.35165	0.5
196.16966	11.8
197.16534	3.3
198.14838	0.5
198.16574	0.5
214.18013	100.0
236.16460	8.4
271.20190	14.5
285.07706	2.1
299.36520	0.5
313.88211	0.5
359.04440	0.9
399.13004	0.6
399.23761	1.9
399.32382	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	399.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36507	0.9
55.01883	3.0
55.05510	6.9
56.05027	1.3
57.03180	1.0
57.03442	6.2
67.05512	18.2
69.03437	2.2
69.07077	9.5
70.06587	5.1
71.04990	2.2
71.08643	1.7
74.90944	1.1
75.37540	1.1
79.05500	8.8
81.03414	7.8
81.07061	14.0
83.04974	2.9
83.08627	6.9
84.89902	1.2
85.06528	1.6
86.06068	18.4
87.04462	9.7
91.05499	6.9
93.07043	11.2
95.04961	6.2
95.08617	9.1
97.06541	5.0
97.10172	6.5
98.06057	34.7
98.09748	1.6
104.07120	4.3
105.07043	6.4
107.04954	5.8
107.08604	10.0
109.06532	8.5
109.10157	12.3
111.04459	5.1
111.08139	1.3
112.07611	16.3
113.06025	1.4
113.07946	5.6
115.07584	1.5
117.06951	1.7
119.08572	14.8
121.06502	5.2
121.10147	7.5
123.04475	1.8
123.08074	4.4
124.07618	4.7
125.05985	1.7
125.09650	6.4
128.15187	1.2
131.08521	4.0
133.10089	5.1
135.08066	2.9
135.11696	5.5
137.09628	60.6
139.07555	1.7
142.15930	8.0
145.10114	1.5
147.11681	5.7
149.09523	1.5
153.12703	1.4
154.12282	7.0
155.08536	1.8
157.10139	1.6
159.08061	2.9
159.11707	5.6
163.11234	1.7
187.11221	2.1
189.11241	2.9
193.12270	2.3
194.15381	1.6
204.13847	2.2
210.18573	10.4
212.16446	6.0
213.16841	5.7
219.13788	1.5
222.14876	39.4
228.19562	60.2
233.15417	2.1
240.15894	1.6
257.18585	100.0
289.17975	13.5
307.19052	6.9
332.23389	1.7
349.25854	1.5
359.15561	1.4
363.21780	12.1
364.28500	2.5
381.22736	20.1
381.30927	5.5
390.86166	1.3
399.23718	20.4
399.32712	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	399.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10673	1.0
55.01891	5.5
55.05526	7.4
57.03460	4.8
60.05655	1.4
61.61838	1.2
66.23553	1.1
67.05505	14.5
69.03431	3.0
69.07079	8.4
70.06599	12.4
71.05009	1.5
71.08628	1.6
79.05512	3.2
81.03426	2.0
81.07058	21.1
81.07410	1.2
83.05000	7.7
83.08640	8.5
84.51934	1.3
85.06541	1.7
86.04744	1.2
86.06078	13.3
86.09751	1.2
87.04465	12.8
91.05476	18.9
91.05903	1.2
93.07055	12.5
95.04997	6.3
95.08599	11.4
97.06566	6.6
97.10168	2.0
98.06063	50.2
100.11270	10.8
104.07143	3.3
105.07017	13.0
107.08585	16.3
109.06564	7.3
109.10164	27.0
111.08144	6.9
113.06003	1.5
119.08566	10.8
121.10183	6.0
123.08111	2.5
123.11720	2.5
124.07603	5.9
125.09639	3.1
131.08607	2.5
133.10130	35.7
133.11053	2.1
133.38071	1.3
135.08072	3.4
137.09679	5.9
138.80859	1.4
140.10764	2.2
147.11761	2.3
149.02347	14.9
149.09637	2.5
151.11153	12.1
154.12247	2.5
158.11754	18.0
161.09709	2.1
161.13333	2.6
165.09204	6.0
168.13832	13.2
172.13290	21.7
179.14430	8.6
180.68758	1.6
183.10191	3.5
186.14893	100.0
193.04950	12.0
196.17085	8.7
211.13387	1.6
219.60194	1.5
228.82487	1.7
247.17076	1.8
251.09142	2.5
261.18686	2.4
264.19519	26.4
265.18167	3.0
289.18115	9.7
299.23260	42.5
304.17114	3.0
307.19034	10.4
309.60876	1.6
341.28290	2.1
363.21753	2.5
381.22562	14.6
399.23975	71.3
399.28345	6.6
399.32858	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	399.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.0
67.05517	1.2
74.06065	0.7
75.41753	0.5
79.05474	0.8
80.41019	0.6
81.07066	0.7
82.76025	0.5
84.04533	0.5
86.06075	11.4
87.04471	6.6
93.07061	0.8
95.08615	9.5
97.06496	0.5
97.10188	1.1
98.06079	4.9
104.07108	4.0
105.07012	4.9
107.08589	0.8
109.10161	0.9
119.08576	0.7
121.10130	0.9
123.08069	70.2
124.01411	0.7
124.07580	0.7
125.01408	0.6
128.14357	0.6
130.05014	0.9
135.11760	1.0
140.10733	5.8
147.89241	0.6
157.13339	0.8
171.11664	0.7
174.05519	1.2
175.05829	0.8
190.12308	2.7
191.33885	0.6
208.13322	43.4
226.14378	2.7
242.21161	3.6
243.17024	100.0
274.30099	0.6
282.46155	0.6
323.07700	2.5
337.05295	1.1
339.10724	3.0
352.07700	3.8
367.10028	17.8
367.14111	1.0
399.12643	13.5
399.32242	49.4
406.75568	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	399.358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32753	0.5
54.67271	0.5
55.05520	1.4
56.05037	4.0
57.07090	5.6
57.54580	0.5
58.06610	1.2
60.04528	3.8
61.04499	0.5
67.05508	1.3
69.07070	2.8
71.08631	3.2
74.05678	1.0
74.06085	21.5
83.08630	3.6
83.86583	0.6
85.10185	1.0
88.07635	34.2
97.10188	1.3
99.56187	0.6
109.09544	0.6
109.10175	6.2
155.10678	1.2
172.13356	2.5
173.11725	2.7
176.31206	0.6
198.22165	5.2
210.22247	0.8
212.23730	20.3
214.14442	2.2
228.23225	100.0
230.24815	2.6
256.34891	0.7
310.90701	0.7
399.35840	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	399.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01121	0.6
54.82695	0.6
55.05496	0.7
57.07077	6.2
57.13109	0.6
58.06603	2.9
61.22177	0.6
62.06097	2.9
67.05508	1.6
71.08629	2.8
79.05490	3.7
81.07065	1.0
83.08621	3.5
85.10175	1.0
93.07034	0.8
97.10175	6.9
99.04472	1.6
100.11195	0.7
106.33450	0.7
107.08593	8.5
109.10146	1.4
112.17317	0.8
124.11207	5.8
125.09635	9.6
126.71667	0.7
135.08066	4.1
142.12274	3.7
149.52040	0.9
153.09081	3.1
170.11786	8.4
187.21165	0.8
196.13376	6.3
197.11790	5.7
212.23724	83.9
213.15942	1.1
214.14349	5.1
228.23232	1.6
230.24780	98.3
296.29532	3.1
299.52405	0.7
381.34750	55.0
382.33142	30.6
399.35815	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.4
56.05042	1.1
57.03450	10.6
61.02939	14.8
69.03429	25.6
71.01325	2.2
71.98637	1.1
73.02924	66.7
81.03445	2.0
85.02914	100.0
87.04457	5.9
91.03944	5.3
97.02897	54.5
99.04485	2.5
103.03973	1.8
109.02884	11.0
115.03926	25.8
117.93568	1.2
120.01545	1.2
127.03919	35.6
127.11531	1.3
130.25197	1.1
133.04979	29.1
139.03915	1.5
145.04962	39.1
145.06078	1.8
163.06033	19.8
169.04903	1.5
177.05460	2.4
199.05890	1.9
221.13927	1.4
223.06047	2.8
241.07108	7.7
251.14922	10.8
255.09244	1.4
259.08099	19.3
277.09229	2.0
295.10300	17.5
296.52231	1.4
400.12939	2.3
400.21640	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	400.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02062	0.6
52.51305	0.6
53.17532	0.6
55.01876	3.8
57.03218	0.8
57.03445	12.0
59.05004	1.1
61.02925	8.6
64.25019	0.6
69.03054	1.2
69.03432	37.5
70.06602	1.6
71.01326	0.8
71.04987	1.7
72.36787	0.6
73.02922	37.9
81.03415	3.4
81.22774	0.8
83.05009	0.8
85.02908	100.0
86.09727	1.7
87.03942	1.4
87.04469	28.8
91.03963	5.4
97.02895	63.0
98.70721	0.7
99.04446	5.9
103.03316	0.8
103.03931	4.8
109.02883	8.2
110.06038	3.4
111.04469	1.3
115.03931	52.5
120.08105	3.1
123.04453	1.0
126.05492	0.8
127.03913	28.4
127.26332	0.8
133.04973	47.7
138.05576	1.1
139.03896	6.6
145.04958	41.1
150.07657	4.6
151.03922	0.9
152.07069	1.0
153.05457	4.2
163.05994	19.6
167.03412	4.5
169.04932	1.1
177.05553	1.2
182.08125	3.9
185.04413	1.3
195.06506	6.7
199.06039	4.9
211.05930	1.0
212.25407	0.9
213.07564	3.1
221.13918	1.6
223.06033	1.6
223.12082	0.8
230.08167	1.0
241.06970	5.5
244.09604	1.8
251.14885	11.9
259.08130	14.1
272.09189	1.7
277.09195	3.3
295.10211	15.0
382.15134	7.8
400.16144	5.1
400.21957	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	400.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.2
55.05514	11.2
57.03430	9.1
67.05523	18.4
69.07076	26.1
70.19580	2.3
74.01914	2.3
79.05495	9.8
81.03430	2.4
81.07053	19.1
83.04985	3.5
83.08620	10.5
87.54673	2.3
91.05462	10.9
93.07050	15.4
95.04987	3.8
95.08616	5.4
97.02895	9.2
97.10180	16.4
105.07043	4.2
107.04968	3.7
107.08614	14.4
109.10159	12.3
119.08578	12.2
121.10120	2.6
125.09650	10.4
131.08560	4.8
131.28621	2.5
133.10144	10.7
145.10110	2.9
147.08072	3.6
147.11716	3.4
149.09598	3.3
151.11200	3.2
169.12146	2.6
196.49973	2.8
216.90015	2.3
223.13293	16.5
227.12724	2.6
264.49115	2.6
273.18347	10.1
285.16995	2.9
291.19553	93.0
365.23264	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	400.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37116	0.6
57.07063	0.9
66.71661	0.6
67.05504	1.1
79.05510	1.3
81.07043	1.0
86.06060	12.1
87.04457	9.6
92.21183	1.1
93.07047	0.9
95.08602	11.5
97.10179	1.0
98.06068	5.9
105.07035	4.0
123.08064	55.9
124.07580	1.0
140.10690	8.5
158.11777	4.7
190.12283	1.3
208.13309	19.5
231.76515	0.9
244.15411	100.0
260.39502	0.9
294.74353	0.8
319.56488	0.8
334.75113	0.8
367.56155	1.0
400.30591	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	400.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66901	0.5
62.54602	0.5
67.05512	0.7
69.07076	4.2
70.06580	2.2
74.56330	0.4
80.49194	0.5
81.07051	1.1
84.16108	0.6
86.06063	7.4
87.04469	9.5
92.21333	0.6
93.07069	0.5
95.08599	0.7
98.06059	49.1
107.08633	0.5
119.97102	0.5
128.14352	15.8
151.11319	0.7
196.16983	13.2
214.18021	100.0
236.16594	0.5
272.18539	2.6
317.97720	0.5
400.30563	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	401.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
74.34609	1.2
83.08698	1.2
85.02925	1.1
85.66381	1.1
86.09722	6.9
94.25809	1.2
108.91972	1.2
129.10219	1.3
140.07127	2.7
145.07893	1.3
153.08856	1.8
181.08463	1.9
267.43515	1.1
315.14105	11.6
356.14304	1.4
357.15103	20.1
401.14264	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29144	1.1
58.57738	1.3
69.03408	1.4
70.06593	12.4
71.68733	1.2
72.08144	3.2
74.85414	1.2
79.05489	5.6
81.07078	1.6
84.08154	2.5
84.96339	1.3
86.09717	11.9
91.05467	2.6
92.21331	1.9
93.47047	1.3
95.04967	1.5
107.04959	26.5
121.06557	1.8
124.05177	2.3
125.05939	1.8
129.07059	1.6
129.10240	1.8
131.08546	8.0
136.11885	1.3
145.06514	2.9
156.05727	5.8
157.06412	1.7
159.08049	14.0
159.09160	2.7
161.06027	1.8
167.07033	77.1
173.06020	1.7
177.05432	1.6
179.06972	2.2
181.05019	2.1
181.08589	2.3
184.05202	2.4
187.07584	9.2
201.09081	1.7
202.06264	6.6
205.06854	1.7
205.08524	12.4
207.06509	6.0
211.07541	2.1
217.08589	38.7
219.07965	5.7
219.10089	3.2
220.08954	1.6
231.08075	5.5
233.09579	2.1
236.08241	3.1
245.09723	3.5
247.07452	7.0
247.09695	15.2
248.08353	8.8
261.09125	2.6
262.09851	2.6
263.08118	1.6
263.10699	8.2
264.07822	5.4
269.08121	11.7
271.09641	14.2
275.06921	1.9
276.07779	6.9
277.08539	2.8
279.10187	6.9
282.09055	2.6
290.09375	7.4
291.10092	13.0
292.07547	1.8
293.08118	6.9
294.08853	1.8
295.13541	1.8
296.10486	2.5
299.09167	2.4
301.07147	2.3
307.09644	9.1
308.10345	6.3
309.07724	1.7
310.08423	3.5
311.12735	1.6
315.08627	100.0
319.09607	2.1
321.07721	2.6
322.11832	2.7
323.09308	1.6
323.12643	12.2
328.09396	7.8
330.10959	75.1
331.11722	8.2
335.08984	1.8
337.10617	7.7
339.12244	6.9
343.11688	15.6
351.12161	19.5
353.10147	8.2
356.12488	2.6
368.12433	2.2
369.13531	3.0
371.14767	8.8
383.14868	67.5
401.16162	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	401.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46213	1.6
56.58605	1.8
57.21397	1.8
62.76626	1.7
72.08145	7.7
72.96120	1.8
73.45647	1.8
79.05481	8.7
86.09708	23.8
86.82402	1.9
91.05524	2.7
95.04979	3.0
105.07007	2.2
107.04955	36.6
107.08562	2.7
107.54521	2.3
123.04453	2.3
129.06969	2.2
129.10191	4.5
131.08569	9.5
144.05733	3.2
145.06534	3.2
152.04787	2.5
156.05647	2.8
159.08044	28.2
163.03984	2.1
167.07033	94.8
173.06055	2.3
175.07486	2.4
181.08546	3.1
186.06676	4.0
187.07527	17.0
191.06976	3.1
195.06512	3.1
202.06187	13.0
204.07753	3.7
205.08572	20.5
207.06525	4.6
211.07536	2.9
213.15923	3.2
217.08609	61.4
219.08017	9.3
219.10211	8.2
221.83324	2.3
231.08057	8.6
233.09550	8.3
238.06241	2.9
247.07457	10.2
247.09657	24.7
248.08347	9.3
249.09085	2.6
251.10651	4.9
254.05402	2.7
261.09140	4.1
262.09988	8.4
263.10712	15.8
264.07770	10.5
269.08087	8.2
271.09659	12.5
275.07092	3.8
276.07751	5.0
277.08575	5.0
279.10190	10.1
281.08221	3.2
282.08646	3.0
290.09418	4.5
291.10132	14.7
292.10834	3.2
293.07941	8.6
296.10486	2.2
299.08945	4.9
305.08292	2.5
307.09662	10.9
308.10416	5.0
310.08444	4.7
311.12607	4.5
315.08621	100.0
319.09515	4.1
321.07590	3.0
323.12762	9.9
325.10648	3.2
328.09439	8.0
330.11041	61.7
331.11713	15.0
335.08951	3.1
336.09894	9.7
337.10681	11.7
339.12506	8.3
343.11703	15.9
351.12335	23.6
353.10101	10.4
356.12473	4.3
368.12537	9.0
369.13156	3.9
371.14902	8.9
383.14856	87.9
398.60565	2.2
401.16028	84.0
405.03601	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	401.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	13.9
55.05509	9.7
57.03439	9.2
60.89680	2.1
61.02923	3.6
65.79445	2.6
67.05509	19.2
68.99787	3.9
69.03422	38.0
69.07059	11.1
70.06590	15.2
71.04979	9.1
72.08157	15.5
73.02892	3.5
73.77256	2.7
77.03996	2.6
79.05493	22.8
81.03424	40.9
81.07060	77.5
83.04977	11.3
83.08633	2.2
84.08141	9.6
85.02910	41.3
85.06538	4.5
86.09722	19.2
86.91337	2.5
87.00805	23.2
91.05465	18.2
93.07037	44.2
95.04964	26.4
95.08601	21.2
97.02880	16.2
97.06516	12.8
99.04445	20.8
101.65945	2.2
103.03932	12.6
105.01865	15.9
105.07030	35.8
107.04958	4.4
107.08591	63.0
109.02901	11.4
109.06505	42.0
109.10138	22.5
111.04479	9.5
111.08096	4.1
113.06042	3.5
115.03928	9.7
117.07001	5.1
119.04956	2.9
119.08578	77.6
121.06482	5.2
121.10133	29.0
123.04422	100.0
123.08047	13.0
123.11688	3.5
125.05993	9.6
127.03903	11.7
129.01840	14.0
129.10274	5.3
131.08560	13.7
133.06473	5.5
133.10150	23.3
135.08035	10.4
135.11693	39.1
137.05980	3.8
137.09599	12.5
141.05536	18.6
141.06514	4.2
142.07750	2.7
143.08545	13.5
145.10118	40.4
147.02844	4.7
147.08049	6.0
147.11697	13.7
149.05977	5.1
149.13272	4.7
151.07536	25.9
151.11188	9.6
153.12733	5.7
155.08524	10.2
157.10135	22.6
159.02888	10.9
159.07976	4.8
159.09198	4.6
159.11667	34.1
163.11148	5.2
165.12762	4.4
167.07002	5.9
169.10095	6.0
171.11641	3.9
171.14885	4.2
173.09567	4.3
173.13237	3.5
175.11115	12.0
177.12717	4.5
179.07025	16.9
183.11684	6.1
189.04015	9.3
189.12845	2.9
193.12276	3.0
197.08124	10.6
197.13239	5.9
201.12688	9.8
203.13852	2.9
207.11664	3.6
215.14204	3.0
217.12498	2.8
219.13786	5.4
225.12708	13.2
230.54233	2.8
240.99626	2.8
243.13800	16.0
261.14841	15.5
264.96942	2.7
274.68552	2.5
301.09302	4.6
315.39093	2.7
347.15036	5.6
358.43445	2.8
365.15793	11.3
383.17020	60.8
383.21701	4.2
401.13583	6.9
401.17761	28.8
401.22641	9.9
401.28397	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	401.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53973	0.4
63.91835	0.5
66.94456	0.5
111.88524	0.6
128.11288	0.6
139.24771	0.5
185.04198	0.9
228.55249	0.5
313.16162	15.3
326.56363	0.5
401.21445	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21836	0.2
67.05508	0.3
69.07069	0.4
72.46365	0.3
76.94094	0.3
81.07037	0.5
85.02926	0.3
95.08662	1.0
103.24438	0.4
107.08611	0.5
109.10133	0.4
110.75234	0.3
118.30561	0.3
119.08572	1.5
121.10115	0.8
133.10158	0.5
139.15396	0.3
145.10149	0.4
179.20963	0.3
185.04196	0.4
185.13202	0.5
195.11795	0.4
203.05121	0.4
287.48044	0.3
313.16208	16.3
341.20685	0.5
371.21835	1.5
401.21457	100.0
401.32016	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	401.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57903	0.7
56.05035	0.9
57.92939	0.8
60.05654	8.9
70.06596	34.6
72.08150	3.3
72.92464	0.8
77.97325	0.8
78.58801	0.8
82.03027	0.8
82.69487	0.8
84.04533	0.8
84.08150	1.1
85.02915	1.6
86.06073	2.1
86.09711	94.6
112.07600	1.2
112.08718	5.3
113.07096	1.6
114.05527	1.8
114.10284	1.0
114.86559	0.9
115.08700	6.6
116.07096	18.7
120.08102	1.0
130.09790	3.6
140.07056	1.1
143.11787	1.6
147.04384	1.4
150.10275	1.3
156.10144	1.4
156.11317	15.8
158.09238	15.5
173.09238	7.2
175.11913	27.8
182.08131	6.8
183.08571	1.9
184.08717	1.8
201.12326	1.9
212.10350	4.9
217.11816	4.1
229.23177	0.9
231.09792	2.0
234.12483	0.9
244.12808	1.9
271.17700	6.8
369.10632	5.4
383.12302	1.9
383.19095	1.8
401.13190	25.7
401.20663	4.1
401.25034	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	401.2532
Annotation	Atractyloside C
Peak:m/z	Relative Intensity
67.05505	1.8
69.07071	2.8
76.11903	0.7
81.07065	7.1
83.04990	0.8
83.08595	1.2
93.07054	1.0
95.08614	4.8
105.07035	0.7
107.08607	2.9
109.06532	1.8
109.10152	3.3
111.04444	13.5
119.08604	3.0
121.10152	4.1
122.79379	0.6
123.08023	1.0
123.11721	0.8
125.06001	3.8
131.08559	1.3
133.10162	1.6
135.08022	1.0
135.11713	3.5
137.05980	100.0
137.13261	1.6
143.08545	0.9
145.10143	1.4
147.11696	4.5
149.09651	3.1
149.13261	1.0
151.07536	2.9
159.11652	1.2
161.09624	6.0
161.10820	0.6
161.13214	1.2
163.11168	1.5
163.14784	1.0
165.09146	1.7
167.10712	1.2
171.11681	1.2
175.11201	3.9
175.14699	0.9
177.12720	1.1
179.10684	1.5
185.13272	0.9
189.12682	1.0
192.92470	0.7
203.17957	6.4
213.16364	3.1
221.19028	1.6
223.14885	1.2
231.17409	8.2
241.15869	0.9
244.70267	0.7
249.18481	2.7
267.21164	0.7
273.87552	0.7
276.61636	0.7
277.17978	27.9
295.19052	2.4
297.57053	0.7
351.21652	50.4
383.24207	5.7
401.32019	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	401.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	9.6
67.05505	17.6
69.03429	3.5
69.07061	22.2
71.04989	8.6
76.07642	4.0
78.93148	3.5
79.05503	18.5
81.07069	29.0
88.50602	4.5
91.05469	26.7
93.07043	48.7
95.08601	26.6
105.07043	68.7
107.08600	45.3
109.06514	46.6
109.10156	6.7
111.08091	8.3
115.05450	5.7
117.07001	22.0
119.08580	92.5
121.10127	21.8
127.58309	4.5
129.06996	18.8
131.08568	62.6
133.10123	100.0
133.11069	7.3
135.08047	10.2
135.11670	20.4
138.49548	4.3
142.07808	16.4
143.08585	43.3
144.09224	5.0
145.10138	94.9
145.11247	7.2
147.08034	8.8
147.11655	27.4
149.09526	4.7
150.65561	3.9
155.08568	5.8
156.09312	8.8
157.10124	70.9
158.10989	5.9
159.11690	51.1
161.09615	8.1
163.34293	4.6
169.10129	22.7
170.10826	5.6
171.11617	34.3
173.13235	48.2
174.14316	4.5
175.14871	10.5
181.10138	5.2
182.10951	7.0
183.11667	23.6
185.13281	21.2
187.14830	38.9
195.11761	19.5
197.13306	25.4
199.14821	28.1
201.12868	5.7
207.11609	9.3
209.13263	28.7
211.14795	6.0
221.13133	9.1
223.14813	5.4
237.16484	5.8
263.17868	6.6
265.19672	7.9
306.74335	4.3
308.56775	5.1
319.20117	4.6
342.41501	4.3
401.28094	58.4
401.31760	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	401.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05053	0.5
60.05658	8.8
70.06596	54.5
71.04994	4.7
71.24075	0.6
72.08155	4.8
74.86536	0.5
84.08140	2.7
86.09708	22.2
88.07620	5.4
97.07653	0.7
98.06041	2.4
102.05577	0.9
112.08724	21.3
114.37737	0.6
115.08698	3.7
116.07056	0.9
125.42516	0.5
129.10280	1.0
132.10179	0.7
137.46678	0.7
140.08215	5.5
141.10161	0.7
156.11365	0.7
157.10857	5.7
163.55833	0.6
171.14914	0.9
175.03888	0.8
175.11920	5.7
183.14934	8.7
207.06549	3.1
208.14500	2.5
210.16037	4.4
211.14468	2.4
225.17076	23.5
228.17006	1.1
229.15462	1.1
236.13899	0.9
242.19806	1.5
245.18573	1.2
253.16649	2.4
270.19220	1.4
271.17590	11.2
287.21494	0.7
288.20276	17.2
384.26108	3.1
401.17758	3.5
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	401.2871
Annotation	Arg Ile Ile
Peak:m/z	Relative Intensity
56.05053	0.5
60.05658	8.8
70.06596	54.5
71.04994	4.7
71.24075	0.6
72.08155	4.8
74.86536	0.5
84.08140	2.7
86.09708	22.2
88.07620	5.4
97.07653	0.7
98.06041	2.4
102.05577	0.9
112.08724	21.3
114.37737	0.6
115.08698	3.7
116.07056	0.9
125.42516	0.5
129.10280	1.0
132.10179	0.7
137.46678	0.7
140.08215	5.5
141.10161	0.7
156.11365	0.7
157.10857	5.7
163.55833	0.6
171.14914	0.9
175.03888	0.8
175.11920	5.7
183.14934	8.7
207.06549	3.1
208.14500	2.5
210.16037	4.4
211.14468	2.4
225.17076	23.5
228.17006	1.1
229.15462	1.1
236.13899	0.9
242.19806	1.5
245.18573	1.2
253.16649	2.4
270.19220	1.4
271.17590	11.2
287.21494	0.7
288.20276	17.2
384.26108	3.1
401.17758	3.5
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	401.2899
Annotation	oscr#27
Peak:m/z	Relative Intensity
51.09765	2.1
51.45587	2.4
55.05525	5.7
57.03439	3.8
57.07085	100.0
64.17889	2.4
65.03947	2.4
67.05507	19.7
69.03426	17.7
69.07072	23.4
70.34636	2.7
71.08638	76.8
81.03413	25.0
81.07070	48.0
81.52599	2.8
83.08630	28.1
85.02916	32.6
85.10196	41.0
86.11710	2.8
95.08612	65.1
97.02891	14.7
97.10176	19.3
99.04485	5.5
109.02888	6.0
109.10177	26.6
123.11704	4.9
127.03934	13.0
137.13297	3.4
145.04997	12.1
181.11403	3.2
239.23679	68.2
342.97379	3.3
383.27872	29.6
401.28848	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	401.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84734	0.9
55.05528	2.2
58.67169	0.9
67.05520	5.9
69.03437	2.0
69.07085	9.4
71.05005	1.7
72.17157	0.9
79.05510	4.5
81.03407	3.8
81.07066	10.7
83.08620	2.2
83.81867	0.9
85.02927	5.7
87.00890	1.5
91.05518	1.4
93.07056	7.5
95.08598	13.9
96.08122	1.1
97.02870	3.6
99.04497	1.2
103.03942	1.8
105.07056	5.3
107.04940	1.5
107.08598	8.9
109.06511	14.5
109.10179	10.6
114.09156	10.9
115.03943	1.3
117.07007	1.6
119.08569	11.4
121.06511	4.7
121.10161	7.0
123.08051	1.2
123.11720	4.4
125.13259	1.0
129.01860	1.4
131.08588	3.8
133.10156	6.5
135.08090	1.3
135.11700	6.0
137.09579	1.9
143.08540	1.1
145.10091	9.9
147.08107	1.4
147.11700	5.4
149.13260	1.9
151.11217	1.3
155.08627	1.2
157.10196	2.1
159.11737	6.9
161.13239	2.6
163.14888	1.4
167.06976	1.3
169.10162	5.3
171.11716	6.4
173.09515	1.6
173.13297	4.2
175.07448	1.1
177.12718	1.8
183.11697	4.4
185.13277	4.0
187.14877	1.9
191.10707	1.3
195.11847	1.9
195.13867	5.6
197.13306	2.3
199.14836	1.1
199.67387	1.0
202.07709	1.0
202.69644	1.0
209.13280	2.0
211.14807	1.4
213.16406	2.3
219.13725	1.0
221.13297	1.4
223.14734	1.5
223.27826	1.1
225.16534	1.5
235.14876	2.4
237.14624	2.2
247.14923	1.5
249.16324	1.2
251.18111	1.8
261.15002	4.3
263.18011	1.6
265.19470	3.9
277.19394	1.9
289.19525	2.4
291.21085	2.1
293.22638	1.5
296.15137	1.1
303.20825	1.0
305.22668	1.1
315.08734	1.3
317.22638	2.5
319.24005	1.2
331.24368	2.3
341.68811	1.2
345.26031	3.6
347.14838	1.1
365.16000	1.5
383.17221	3.6
401.17722	2.0
401.32031	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.3199
Annotation	4,4'-Diapolycopene
Peak:m/z	Relative Intensity
55.05513	1.1
55.20150	0.6
60.37344	0.6
64.78010	0.6
67.05502	2.9
69.07080	4.9
74.65768	0.7
79.05510	0.7
81.07066	6.2
81.07471	0.8
83.08617	3.3
88.45788	0.6
91.05453	0.9
93.07041	4.8
95.08610	10.4
105.07012	3.8
107.08627	6.8
109.10157	9.2
119.08570	13.3
119.26580	0.6
121.10129	7.3
123.11701	3.9
131.08557	3.2
133.10127	9.4
134.25970	0.8
135.11710	3.3
143.08553	1.5
145.10120	15.4
147.11668	6.0
149.13278	3.2
157.10126	5.0
159.11697	9.0
161.13199	4.9
163.14828	1.2
169.10149	3.4
171.11674	6.3
173.13232	5.3
175.14833	1.6
181.10159	1.3
183.11717	5.4
185.13287	4.0
187.14824	3.2
195.11801	2.0
197.13286	3.3
199.14793	3.7
201.16290	1.3
207.11574	0.9
209.13210	4.7
211.14786	3.0
213.16388	3.9
215.17935	1.3
221.13338	2.8
223.14845	3.1
225.16339	3.4
227.17908	2.9
233.13239	1.0
235.14896	2.6
237.16331	4.3
239.18031	2.8
241.19528	0.7
249.16382	3.0
251.17932	2.7
253.19650	0.9
261.16507	0.8
263.17889	2.8
265.19482	3.5
267.21042	0.9
269.22614	1.0
275.18018	0.9
277.19540	3.0
279.21127	3.0
289.19345	2.4
291.21185	1.7
293.22586	1.6
305.22574	1.6
317.22571	1.4
319.24182	1.1
331.24228	3.4
345.25699	4.6
359.27264	0.9
401.32007	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.32
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68911	0.4
53.00840	0.3
54.57675	0.3
54.84882	0.3
55.05520	1.6
57.07080	0.4
67.05515	3.2
69.07076	5.5
79.05485	0.7
81.03907	0.4
81.07056	5.8
83.08616	2.1
85.48320	0.4
91.05461	2.3
91.96170	0.4
93.07055	5.5
95.08601	11.6
97.10185	0.5
102.64236	0.4
105.07034	4.9
107.08590	8.2
109.10160	7.2
109.48648	0.4
117.07037	0.9
119.08572	15.4
121.10126	8.1
123.11693	3.3
129.07030	0.9
131.08594	3.0
133.10130	9.3
135.11690	4.1
137.13278	0.8
143.08508	3.5
145.10117	17.6
145.11214	0.9
147.11673	6.4
149.13252	3.6
151.07942	0.4
155.08557	2.3
156.09312	0.6
157.10132	6.4
159.11668	9.9
161.13261	5.4
163.14798	2.1
169.10097	6.5
171.11665	9.9
173.13248	7.5
175.14787	4.0
181.10114	1.0
183.11662	5.2
185.13255	6.8
187.14787	4.1
189.16388	1.9
193.10135	0.5
195.11699	2.2
197.13222	3.4
199.14804	3.9
201.16406	2.6
207.11691	1.7
209.13226	2.5
211.14828	4.0
213.16379	4.7
215.17987	1.8
221.13293	3.0
223.14809	5.0
224.15442	0.4
225.16406	4.7
227.17969	2.7
229.19551	1.9
235.14803	3.7
237.16354	5.7
238.31456	0.5
239.17883	3.8
241.19536	0.7
243.21094	0.9
247.14796	0.6
249.16425	2.4
251.17912	2.7
253.19492	2.4
261.16406	1.9
263.17938	2.6
265.19424	4.2
267.21048	1.0
269.22745	1.0
275.17941	1.0
277.19608	3.1
279.20898	2.9
281.22827	0.7
289.19537	1.0
290.20255	0.5
291.21124	2.1
293.22672	1.0
303.20853	0.6
305.22577	2.1
317.22665	1.7
319.24136	2.1
320.24936	0.4
329.22778	0.6
331.24197	2.3
332.25037	0.5
345.25687	4.1
359.27335	2.0
386.29660	0.5
401.31998	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87180	0.6
54.15708	0.7
55.05509	1.1
62.47920	0.6
67.05499	1.8
69.07069	4.2
79.05496	1.1
81.07071	5.5
83.08621	0.7
86.53394	0.7
91.05422	1.1
93.07052	1.8
95.08612	9.3
95.45456	0.7
102.57721	0.7
105.07044	1.8
107.08597	6.8
109.10186	6.0
117.07002	0.8
119.08592	10.0
121.10177	5.7
123.11712	1.4
131.08582	1.5
132.84566	0.9
133.10162	6.4
135.11693	3.5
143.08536	1.5
145.10114	11.5
147.11708	4.8
149.13217	2.9
157.10149	3.8
159.11769	6.0
161.13239	3.2
169.10129	4.5
171.11650	6.4
173.13274	3.7
175.14799	2.8
183.11763	1.9
185.13271	4.3
187.14827	3.2
195.11693	1.8
197.13240	2.9
199.14908	4.0
201.16306	1.7
207.11720	1.2
209.13203	4.9
211.14873	1.8
213.16418	3.4
215.18051	0.8
223.14783	1.7
225.16396	1.4
227.17853	0.8
229.19638	1.1
235.14841	1.6
236.15465	0.9
237.16411	3.5
237.45488	0.8
239.17905	1.7
241.19580	1.1
249.16461	1.8
251.17941	3.8
253.19337	1.5
258.38058	0.8
261.16190	1.3
263.17990	1.7
265.19519	3.8
267.21112	1.1
269.22687	0.8
275.17972	1.3
277.19559	3.8
279.21021	1.4
289.19467	1.4
291.21085	3.9
293.22632	1.1
294.13580	0.9
303.21045	0.9
305.22644	0.8
317.22736	3.0
319.24310	1.6
322.42148	0.9
325.80817	0.8
345.25800	3.0
352.59113	0.8
358.26682	0.8
401.32031	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83063	0.4
55.05515	2.0
67.05511	1.8
68.33955	0.4
69.07072	4.9
79.05497	0.8
80.44312	0.4
81.07072	5.7
83.08597	1.7
91.05478	1.0
92.20862	0.9
93.07034	4.8
95.08611	10.3
97.10142	0.5
105.07036	3.0
106.74574	0.4
107.08578	6.0
109.10152	6.4
114.09190	0.5
119.08562	8.2
121.10147	5.1
122.14439	0.4
123.11700	2.2
131.08562	1.9
133.10117	5.4
135.11705	1.6
143.08536	2.5
145.10104	7.5
147.11676	4.2
149.13255	2.2
155.08571	0.9
157.10109	5.1
159.11697	4.9
161.13237	3.3
163.14761	0.7
167.88046	0.5
169.10117	2.8
170.10886	0.4
171.11682	4.7
172.31181	0.4
172.44133	0.5
173.13245	4.1
175.14825	2.5
181.10107	0.6
183.11676	2.9
185.13242	4.0
187.14809	2.8
189.16364	0.5
193.10149	0.8
195.11690	0.9
197.13228	2.6
199.14835	3.2
201.16396	1.7
207.11674	1.0
209.13284	2.9
211.14873	3.4
213.16385	2.5
215.17963	0.8
220.12547	0.4
221.13266	1.0
222.14081	0.6
222.35643	0.5
223.14761	3.1
225.16405	3.5
227.17949	1.7
229.19640	0.5
235.14844	2.0
237.16367	2.6
238.17084	0.5
239.17966	2.1
241.19595	0.7
247.14757	1.0
249.16341	2.0
251.18001	2.9
253.19501	1.5
263.18079	1.8
265.19543	3.6
267.21274	0.6
269.22595	0.7
275.17813	1.5
277.19571	3.1
279.21082	2.2
289.19598	2.6
291.21030	3.4
293.22586	3.0
303.21112	0.9
305.22729	1.7
307.24399	0.6
315.20944	0.5
317.22632	4.0
319.24274	3.0
331.24210	2.0
332.24902	0.5
343.24246	0.7
345.25833	3.1
359.27286	1.9
386.29575	0.7
401.32007	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.1
61.65682	0.6
62.76562	0.6
66.95493	0.8
67.05492	3.1
69.07070	5.6
79.05484	1.1
81.07066	7.2
83.08606	2.7
86.48162	0.7
86.57395	0.7
91.05508	0.9
93.07052	6.1
95.08603	11.4
105.07032	4.3
107.08601	7.9
109.10153	6.7
119.08573	12.4
121.10145	6.6
123.11733	3.4
129.06985	0.7
130.78229	0.7
130.83459	0.7
131.08568	1.7
133.10126	7.2
135.11693	3.2
143.08572	1.3
145.10141	12.7
147.11716	3.8
149.13248	4.1
157.10126	6.7
159.11678	7.7
160.10075	0.7
161.13252	4.4
163.14734	1.3
169.10146	5.9
171.11690	10.1
173.13188	6.5
175.14793	1.5
181.10072	1.1
183.11664	4.2
185.13263	6.9
187.14900	3.2
189.16498	1.0
195.11726	3.2
197.13351	3.0
199.14822	3.1
201.16354	1.4
201.32397	0.7
209.13304	4.3
211.14879	3.7
213.16422	3.6
221.13319	1.4
223.14803	4.8
225.16360	3.8
227.17868	2.6
235.14822	1.7
237.16365	3.5
239.17929	3.4
243.21201	1.0
249.16554	1.3
251.17946	3.0
253.19727	2.2
263.18027	3.2
265.19534	4.6
267.21106	1.2
275.17896	0.9
277.19592	2.9
279.21130	3.6
282.38519	0.8
289.19592	1.4
291.21173	3.1
293.22574	1.0
303.20990	0.8
305.22614	1.1
317.22473	1.3
319.24319	0.9
331.24121	0.9
345.25714	3.2
386.29236	0.9
401.32031	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90463	0.3
55.05524	0.9
57.07095	0.5
67.05502	2.4
69.07085	4.0
79.05501	0.7
81.07063	5.4
82.05851	0.4
82.99877	0.4
83.08602	1.4
91.05482	0.8
93.07043	4.0
95.08614	11.1
96.90723	0.3
97.10152	0.4
102.89243	0.3
105.07034	3.4
107.08595	6.4
109.10152	7.3
110.59866	0.4
111.11726	0.6
114.09151	0.5
119.08572	8.8
121.10131	5.5
123.11704	2.1
129.06963	0.7
131.08568	1.8
133.10138	5.1
135.11725	3.1
143.08571	1.7
145.10129	8.5
147.11693	4.2
147.41902	0.3
149.13268	2.4
155.08566	1.6
156.09427	0.4
157.10109	4.9
159.11653	5.8
161.13274	3.5
163.14812	0.9
169.10143	4.3
171.11682	7.1
173.13255	5.5
175.14894	2.7
175.16122	0.4
181.10133	0.5
183.11702	4.0
185.13263	5.0
187.14809	2.8
189.16379	0.8
193.10258	0.6
195.11766	2.2
197.13223	2.8
199.14832	3.0
201.16461	1.9
203.18068	0.4
207.11671	1.5
209.13263	2.5
210.14003	0.4
211.14886	2.8
213.16417	2.9
215.17964	0.8
221.13338	3.1
222.14201	0.4
223.14909	2.6
225.16446	4.1
227.17950	1.9
229.19545	0.4
233.13289	0.6
235.14771	3.1
237.16379	3.1
239.17982	3.1
241.19513	0.6
243.21071	0.7
247.14836	1.4
248.15636	0.5
249.16429	2.5
251.17947	3.6
253.19508	1.7
261.16397	0.8
262.17120	0.5
263.17911	2.7
265.19534	3.5
267.21039	0.9
275.17969	2.2
277.19510	3.0
279.21097	1.8
289.19434	2.0
291.21182	3.5
293.22626	2.7
303.21088	1.8
305.22672	1.9
317.22452	2.6
319.24280	2.4
330.23526	0.4
331.24194	2.8
345.25885	4.3
359.27283	1.7
373.29047	0.5
401.32022	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.32
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.2
63.00829	0.5
66.38959	0.5
67.05495	3.1
67.19839	0.6
69.07069	5.5
71.08633	0.7
71.55339	0.6
73.03030	0.6
79.05501	0.7
81.07057	8.2
82.75568	0.7
83.08629	1.6
89.12441	0.6
93.07037	6.3
95.08617	10.0
97.10150	1.0
105.07064	5.2
107.08599	8.9
109.10132	6.9
111.11691	0.7
119.08588	12.5
121.10107	6.6
122.59900	0.8
123.11719	3.2
131.08580	1.6
132.68068	0.7
133.10132	7.7
135.11676	4.2
143.08530	1.2
145.10115	14.4
147.11670	4.6
149.13220	3.1
157.10106	5.5
159.11690	7.1
159.90114	0.7
161.13240	3.6
163.14830	1.3
169.10059	5.8
171.11694	8.4
173.13226	4.9
175.14839	1.3
175.48724	0.7
181.10094	1.0
183.11671	4.2
185.13248	5.4
187.14780	2.8
189.16377	0.8
195.11717	3.5
197.13216	3.2
199.14848	3.2
209.13255	4.5
211.14828	3.7
213.16374	3.7
215.18016	1.5
221.13234	1.5
223.14822	3.0
225.16367	4.8
227.17946	2.5
233.13129	0.8
235.14813	4.0
236.15576	0.8
237.16402	4.4
239.17926	3.8
247.14882	0.7
249.16313	2.3
251.17973	2.6
253.19490	1.2
261.16376	0.9
263.17920	2.5
265.19464	3.1
267.21140	0.7
269.22604	0.9
277.19537	4.1
279.21078	1.4
289.19556	1.0
291.20996	3.5
293.22614	1.2
303.20984	1.1
305.22644	2.7
317.22903	0.8
319.24225	1.2
331.24164	2.9
345.25806	4.0
359.27325	1.4
401.31998	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.32
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68915	0.5
55.05511	1.4
67.05506	4.1
69.07060	3.1
69.09911	0.7
79.05480	1.1
81.07060	8.4
83.08634	1.2
91.05483	1.4
93.07034	4.5
95.08607	11.4
97.10153	0.9
98.18192	0.6
104.87510	0.7
105.07021	4.3
107.08603	8.9
109.10168	7.5
114.09181	0.7
119.08580	10.0
121.10127	6.4
123.11706	2.4
131.08588	2.9
133.10121	8.5
133.76949	0.6
135.11710	5.0
143.08510	1.1
145.10123	11.5
147.11688	4.8
149.13284	2.9
157.10115	6.1
159.11671	8.7
161.13272	3.3
163.14818	1.2
169.10130	4.3
171.11674	7.6
173.13229	5.4
175.14848	2.4
181.10043	0.8
183.11652	5.1
185.13208	4.5
187.14856	3.2
189.16353	1.3
193.10129	0.8
195.11736	3.2
197.13257	3.1
199.14764	4.3
201.16365	2.4
207.11624	2.7
209.13275	3.0
211.14819	4.2
213.16467	3.5
215.18053	0.8
221.13284	0.9
223.14894	3.3
225.16399	4.1
227.17932	3.0
233.13210	0.7
235.14839	2.9
237.16423	4.5
239.07083	3.4
239.17941	3.6
243.21083	1.0
247.14529	0.9
249.16400	3.1
251.17926	3.4
253.19513	1.3
261.16370	0.9
263.17963	3.2
265.19519	3.7
267.20987	0.8
275.17944	1.2
277.19556	3.7
279.21060	1.5
281.22656	1.3
289.19574	1.5
291.21146	2.5
293.22607	2.9
303.21207	2.7
305.22656	3.2
315.70532	0.6
317.22717	2.7
319.24319	1.3
331.24203	3.1
345.25827	6.1
359.27380	2.9
375.19220	0.7
401.32016	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	401.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95313	0.3
55.05505	2.9
56.79729	0.3
60.17107	0.4
64.27362	0.3
64.60937	0.4
67.05514	5.6
69.07072	4.9
71.04993	0.5
73.36983	0.4
79.05479	1.7
80.48273	0.4
81.07065	7.1
83.04961	0.5
83.08621	1.8
86.09705	0.5
89.71297	0.4
91.05470	1.8
93.07037	6.5
95.08607	11.9
97.10166	0.9
99.40452	0.4
105.07011	4.7
105.86445	0.5
107.01799	0.4
107.08597	7.0
109.10152	9.9
117.07013	0.6
118.53171	0.5
119.08570	10.1
121.10134	5.8
123.08097	0.5
123.11717	2.4
125.09665	0.6
129.07071	0.6
131.08577	2.5
133.10139	6.6
135.11671	3.4
140.87517	0.4
141.06992	0.8
143.01926	1.7
143.08557	2.1
145.10127	9.6
147.11685	3.7
149.13239	3.6
155.08562	0.9
155.10683	0.5
157.10107	5.2
159.11687	6.7
161.02930	1.0
161.13255	2.2
163.14845	1.0
167.07014	0.7
169.10045	3.5
171.11649	6.4
173.13284	4.7
175.14816	2.0
176.95700	0.5
176.97195	0.5
181.10133	1.6
183.11708	4.4
185.13223	5.1
187.14824	2.9
193.10103	1.0
195.11720	2.9
197.13210	3.5
199.14841	3.3
201.16428	1.9
207.11722	2.0
209.13232	3.6
211.14803	3.2
213.16385	3.6
215.18011	1.1
221.13223	1.7
223.14777	2.3
225.16380	2.6
227.17950	2.1
229.19450	0.8
233.13243	0.8
234.14008	0.6
235.14922	3.0
237.16422	3.5
239.17940	2.3
241.19443	0.6
247.14874	0.8
249.16409	2.5
251.18021	3.2
253.19534	2.4
261.16260	0.6
263.17923	2.4
265.19492	5.7
267.21094	1.1
275.17847	1.9
277.19507	4.1
279.20981	1.1
281.22736	0.7
289.19421	2.1
291.21240	3.5
293.22693	2.6
303.21054	2.2
305.22635	2.7
307.24118	0.7
311.18759	0.6
317.22644	2.8
319.24280	2.0
331.24210	1.9
332.24957	0.5
333.25589	0.5
345.25702	3.5
358.26685	0.8
359.27274	2.1
371.27640	0.6
383.24005	0.6
386.29660	0.8
401.32028	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
55.05513	1.1
56.07170	0.5
57.07070	0.7
58.42700	0.5
61.96383	0.4
67.05502	3.3
69.07072	6.0
75.08440	0.4
76.27946	0.5
78.58633	0.5
79.05505	2.4
81.07067	8.7
83.08626	3.1
85.02895	0.8
88.03991	0.8
91.05505	0.6
93.07040	4.9
95.04963	0.6
95.08602	12.9
97.10154	2.3
100.60028	0.5
105.07044	5.1
107.08602	10.4
109.10162	8.3
111.04416	0.7
117.07023	0.9
119.08588	13.0
121.10146	6.9
123.11716	3.7
129.07039	0.9
131.08598	2.7
133.10132	6.3
135.11678	5.1
143.08580	2.9
145.10139	15.1
147.11707	6.3
149.13258	4.1
154.12256	1.0
155.08551	1.2
157.10139	6.8
159.11702	8.4
161.13245	3.9
163.14876	2.2
169.10153	4.7
171.11708	8.7
173.11858	1.1
173.13214	7.7
175.14870	4.0
181.10170	0.9
183.11682	4.8
184.17010	1.0
185.13263	6.1
187.14825	4.6
189.16386	0.5
193.10144	0.6
195.11732	3.2
196.13419	1.0
197.13261	4.6
199.14890	3.6
201.16449	1.8
203.18030	0.7
207.11699	1.1
209.13234	3.7
211.14713	3.9
213.16418	3.1
215.18010	2.1
217.19518	0.6
221.13274	2.5
222.13982	0.6
222.61093	0.5
223.14929	4.1
225.16457	4.4
227.17972	3.1
230.17511	2.1
235.14885	2.9
237.16415	4.0
239.18002	2.2
241.19460	1.8
243.21158	0.8
247.15013	1.0
249.16420	4.1
251.17941	3.7
253.19553	1.2
259.16559	5.1
263.17932	2.6
265.19592	5.1
269.22461	0.6
275.18039	1.2
277.19528	3.9
279.21158	2.8
281.22308	0.6
289.19553	1.2
291.21191	3.7
293.22656	2.2
303.21188	0.9
305.22647	2.1
317.22778	2.5
319.24240	1.3
331.24255	2.9
345.25803	6.1
359.27563	1.0
373.29123	0.6
383.29514	1.0
386.29391	0.7
401.25381	5.7
401.32056	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76412	1.0
59.05007	100.0
70.06579	1.2
72.08174	1.2
73.07823	1.0
73.89908	1.1
84.08124	1.9
86.09697	5.5
87.04476	4.5
89.06030	72.3
103.07584	75.2
105.07903	1.2
133.08580	30.4
133.10181	1.6
147.10167	19.3
151.80058	1.1
171.92424	1.2
177.11264	10.1
191.12740	2.8
221.13782	2.3
269.16965	1.7
288.01782	1.2
297.19061	1.5
384.25851	1.3
385.24310	77.9
385.29349	2.5
402.27570	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	402.2849
Annotation	Myriocin
Peak:m/z	Relative Intensity
55.01886	7.9
55.05515	21.4
57.03437	32.7
67.05508	78.7
69.07076	48.1
79.05502	66.2
81.07063	100.0
83.04983	10.0
83.08630	27.6
91.05483	56.0
93.07037	89.3
95.04956	22.8
95.08585	56.2
97.06532	25.7
97.10170	29.5
99.08093	4.5
105.07042	63.9
107.07932	5.0
107.08606	76.0
109.06538	6.0
109.10185	40.0
111.08072	8.3
117.07037	22.4
119.08571	52.7
121.10130	40.8
123.08023	6.9
123.11720	7.3
125.09627	19.1
129.06981	4.9
130.00998	4.4
131.08562	44.1
133.10129	40.3
135.11681	21.9
135.38211	4.2
141.37083	4.5
143.08607	6.1
145.10147	33.9
147.11687	31.7
149.09590	10.3
149.13287	6.0
157.10136	8.5
159.11681	22.9
161.13216	8.3
163.11253	8.3
169.10088	5.3
171.11678	4.6
173.13231	8.9
175.14861	5.6
177.12744	8.9
199.14873	7.8
229.14394	21.4
239.18098	5.4
255.15869	22.8
257.18997	18.1
269.17441	50.7
275.20053	68.5
286.20319	7.9
309.20615	55.0
349.23642	91.0
362.35822	4.5
367.24799	9.2
402.28345	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	402.285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89079	1.6
55.01878	10.7
55.05522	14.1
57.03443	8.8
57.07073	2.4
57.16320	1.7
59.59398	1.8
62.30110	2.0
67.05515	28.9
69.07084	16.1
71.04983	2.1
79.05493	20.6
80.01236	2.1
81.03433	4.0
81.07061	44.9
83.04990	5.4
83.08615	13.4
85.06540	8.4
91.05483	29.8
93.07044	29.6
95.03319	1.8
95.04971	14.6
95.08590	24.2
97.02872	2.7
97.06548	4.0
97.10158	3.1
104.27418	2.6
105.07030	28.4
107.04951	3.9
107.08603	28.7
109.06524	13.0
109.10159	50.5
111.04418	3.5
111.08077	4.5
113.06049	3.0
117.07011	3.7
119.08564	15.0
121.10168	8.9
121.59500	2.7
123.08068	15.6
123.11725	12.8
123.98839	2.1
125.09622	4.2
127.07539	3.4
129.07008	2.4
131.08578	8.6
133.10138	71.7
135.07961	2.6
135.11742	8.6
137.09628	10.4
145.10153	8.9
147.11707	12.7
149.09592	8.1
151.11165	33.5
159.11682	3.9
163.11220	8.7
169.12253	2.5
173.13165	2.6
177.12787	4.0
247.20483	2.3
247.97696	2.2
253.14369	43.7
267.15927	3.0
271.15369	14.6
275.20071	33.7
285.17004	18.0
293.21036	16.2
349.23795	23.5
367.24805	100.0
385.25717	11.5
402.32272	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	402.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42311	4.1
55.01873	4.7
55.05518	22.1
57.03444	5.0
58.89673	3.7
59.34303	3.3
67.05502	47.0
68.28703	3.7
69.07072	10.6
71.08635	24.4
79.05500	30.8
81.03413	5.6
81.07076	46.1
83.05023	5.3
83.08629	19.2
85.06561	5.9
85.44137	4.1
91.05476	23.5
93.07054	44.9
95.04974	9.4
95.08607	18.8
99.08085	10.9
104.29849	4.5
105.07043	25.0
107.08615	40.7
109.10133	33.0
117.07051	6.6
119.08617	17.4
121.10152	18.2
123.08118	9.3
127.39125	4.6
131.08580	8.9
133.10138	47.4
147.11726	7.6
149.13342	5.3
151.11186	8.1
159.11670	9.3
161.13274	5.8
173.11751	22.9
177.12804	8.1
240.62357	4.4
253.14511	5.3
269.17499	7.3
271.15536	19.4
275.19968	16.3
285.17035	10.2
293.21173	22.5
306.94412	5.1
349.23730	22.4
351.25180	4.7
367.24857	100.0
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	Myriocin
Peak:m/z	Relative Intensity
55.05517	24.0
55.50415	3.6
57.03437	32.7
59.03657	4.0
67.05512	73.2
68.12829	4.2
69.07084	47.0
71.04997	6.7
72.20111	3.9
73.85902	4.8
79.05495	50.8
79.49167	3.9
81.03408	7.4
81.07068	100.0
83.08615	22.9
88.77618	4.7
91.05484	55.9
93.07047	88.6
95.05006	5.0
95.08624	52.6
97.06528	25.6
97.10158	33.9
105.07043	47.5
107.08606	68.8
109.06480	7.4
109.10152	31.5
117.07011	29.9
119.08591	41.3
121.06494	5.6
121.10155	39.7
122.78336	4.3
123.08102	7.8
125.09651	24.5
129.06978	8.3
131.08575	37.9
133.10123	43.5
135.11703	21.0
139.11224	5.4
145.10132	32.5
147.11655	18.9
149.09637	10.9
149.13261	19.6
159.11723	24.7
161.13266	7.3
163.11172	9.9
171.10184	4.9
171.11705	6.4
173.13252	20.0
177.12721	8.3
207.60925	5.2
227.12801	11.1
228.45816	4.9
229.14252	5.3
229.19366	6.3
239.17937	7.5
245.13802	5.5
255.16010	34.8
257.19080	20.1
269.17480	68.2
275.20044	68.1
309.20587	21.3
349.23709	87.6
367.24710	29.8
384.27386	9.5
402.28424	21.9
413.88483	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	402.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	5.3
57.03442	24.6
64.82214	3.2
67.05518	27.6
69.07059	7.8
70.82542	3.7
71.29118	2.8
79.05489	23.7
81.07064	37.4
83.08632	8.3
85.06544	8.6
91.05478	37.9
92.21429	4.2
93.07053	43.0
95.04991	3.3
95.08617	31.5
105.07035	59.5
107.08587	37.7
109.10143	15.2
116.03503	3.8
117.07014	29.6
119.08571	62.5
121.10128	23.1
125.09655	4.1
129.06989	13.8
131.08607	30.0
133.10144	36.2
135.11710	5.9
141.06949	6.9
143.08568	20.3
145.10132	44.0
146.10503	5.4
147.11720	28.2
149.09555	5.3
155.08603	4.6
157.10109	23.0
157.13799	3.4
159.11684	59.6
160.29694	3.4
161.13237	15.3
169.10100	8.1
171.11627	13.4
173.13310	29.4
175.14806	5.8
176.61493	3.6
183.11691	12.9
185.13261	55.8
191.14368	4.1
197.13303	8.7
199.14842	6.7
201.16464	4.5
202.81708	3.7
203.14311	23.5
219.17548	5.0
227.12747	5.6
229.19559	4.1
232.15012	3.4
239.17903	15.8
246.13400	5.2
257.19003	44.8
275.20102	49.6
295.19101	5.8
341.66296	3.6
349.23743	100.0
402.32367	75.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	4.4
66.29481	0.4
70.06590	7.4
70.15871	0.4
71.08621	2.8
76.43664	0.5
78.95916	0.6
85.36646	0.4
88.07635	22.6
102.08554	0.9
102.09187	12.1
109.56355	0.5
117.95169	0.5
132.10236	0.8
146.11714	0.6
199.91411	0.5
220.17467	0.5
257.88644	0.5
296.33173	0.7
340.35733	67.1
384.38242	4.5
398.63919	0.6
402.39413	100.0
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
54.89700	0.4
55.35862	0.4
56.26594	0.4
56.39744	0.4
57.07084	3.8
58.06613	0.5
59.19770	0.4
60.28784	0.4
67.42137	0.4
70.06598	8.4
71.08631	2.5
73.11852	0.4
88.07629	22.6
88.08176	0.8
102.08553	0.8
102.09177	12.4
113.26140	0.4
132.10190	0.7
133.60732	0.4
146.11865	1.5
150.11253	0.8
194.57547	0.5
219.61591	0.5
296.33273	1.0
340.35718	72.0
384.38245	3.7
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	403.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.6
55.58859	0.5
57.03444	0.6
59.04997	1.3
61.02937	1.2
69.03436	5.0
69.07061	0.9
70.06597	1.0
72.08160	11.8
73.02909	0.8
84.08155	2.5
85.02908	9.6
86.09705	31.0
88.03960	0.6
89.06028	3.1
90.06338	1.1
93.07072	2.4
97.02893	2.9
109.02900	1.0
116.07067	0.8
117.05896	0.5
119.06062	9.3
120.04462	0.8
120.06583	0.7
120.17533	0.6
121.06487	6.2
123.06863	0.8
127.03922	2.8
129.10284	0.8
137.07144	1.4
145.04941	0.8
147.04521	0.7
147.05547	17.3
147.06644	1.0
148.03946	2.8
148.06320	17.6
149.07103	33.2
149.08275	1.2
150.05527	1.4
157.13365	8.6
159.07568	0.8
165.06590	90.5
166.07364	6.9
183.07683	0.8
185.12856	1.2
187.10802	1.1
189.12383	1.2
199.18106	2.5
201.12425	1.5
205.12257	2.6
215.10292	0.6
219.13461	3.0
223.10805	16.4
223.13174	2.0
223.15379	2.3
224.15773	1.2
227.17612	3.4
228.07542	1.1
235.07909	0.7
241.11813	23.5
252.10236	2.5
284.19775	2.7
285.11124	1.4
289.88550	0.7
293.09079	4.4
328.80969	0.7
341.17856	2.8
403.17224	100.0
407.16177	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	403.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07064	0.8
81.07037	1.7
93.07017	1.2
95.08607	1.1
101.78519	0.9
105.07041	0.9
159.68660	0.8
204.51692	0.9
285.17020	1.4
385.26276	1.2
403.20908	100.0
403.33221	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	403.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61646	1.1
54.03334	1.1
55.05516	3.0
56.05032	8.4
58.06601	5.6
70.06585	2.8
71.05100	1.1
72.08158	100.0
74.06081	89.4
83.06105	7.2
84.04502	13.8
84.08161	1.5
86.09223	2.5
86.09711	41.5
90.05557	16.3
92.20953	2.8
93.49201	1.4
93.71923	1.3
100.07611	22.0
101.07130	1.6
103.73167	1.3
109.10148	1.4
110.06030	13.8
114.09166	92.6
116.07087	14.7
127.08679	15.7
135.08041	6.0
141.06625	2.8
142.08635	51.7
143.11772	18.0
145.09721	41.2
147.04402	1.9
155.08128	3.2
157.13342	2.9
169.06116	2.4
171.11285	8.6
173.09183	38.9
181.08739	1.5
185.12836	1.7
191.10263	60.6
201.08717	29.8
213.12340	28.1
215.10170	1.4
219.13387	2.5
223.13237	2.8
225.36766	1.4
233.11357	10.0
244.12907	29.0
262.13925	15.0
268.16583	5.4
270.18155	6.1
286.17599	10.3
314.17056	35.9
333.07764	5.6
385.20792	46.7
385.25665	1.9
403.15686	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	403.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40882	1.2
57.74297	1.1
60.05647	15.0
70.06592	36.3
72.08158	39.2
78.75482	1.4
81.17613	1.4
84.04510	2.8
84.08141	7.6
86.09701	33.8
88.03986	2.3
102.05523	2.2
105.31489	1.3
110.07136	2.1
112.08741	12.2
114.10268	2.7
115.08676	6.3
116.07086	13.9
118.05116	1.4
124.08778	1.4
126.92081	1.3
129.10255	5.7
130.09750	5.1
136.06204	2.7
136.07631	1.3
141.10300	3.0
143.96860	1.3
156.10202	1.8
156.11307	7.6
158.09267	13.8
165.73788	1.5
171.14934	9.2
175.11903	43.3
183.11208	2.3
183.14925	2.1
187.07188	1.6
199.14398	10.4
201.12328	38.4
205.08234	2.9
227.11488	1.8
271.17645	3.2
288.20270	25.0
297.45218	1.6
403.22977	100.0
429.33771	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	403.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70783	0.5
57.03448	0.7
57.06859	0.7
57.07085	10.2
58.18372	0.6
62.67710	0.6
64.12043	0.7
67.05521	1.0
69.03425	1.2
69.07066	0.7
81.07072	6.7
83.08643	0.9
85.02901	10.0
95.08605	3.1
97.02882	3.2
97.06544	4.9
98.93697	0.7
111.04436	6.7
113.67225	0.8
121.10140	25.2
123.08041	1.6
123.11701	23.2
137.13277	0.9
139.11188	32.2
141.09114	3.4
145.04919	3.2
149.09581	1.0
151.14771	1.3
167.10664	100.0
179.14301	0.7
181.12224	3.4
185.11678	5.7
197.15347	11.2
201.13446	0.7
201.34579	0.7
223.16948	5.5
241.17944	28.2
270.17856	0.7
403.23041	1.5
403.33493	3.1
428.24261	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	403.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	4.7
59.38865	0.6
59.52174	0.6
60.06214	0.6
61.02931	3.4
61.28624	0.6
65.24786	0.6
67.05509	1.3
68.99793	1.6
74.46166	0.7
79.05502	0.9
82.80381	0.7
105.07067	1.0
109.02855	0.8
111.00793	5.4
119.08533	1.5
129.01836	100.0
131.08620	1.3
139.00258	21.3
143.08600	1.0
145.10110	1.2
157.01321	28.1
166.86098	0.8
185.08080	21.3
213.07539	4.2
217.03432	6.2
259.15359	11.4
273.09711	5.0
329.16086	1.2
381.18997	0.8
385.23737	1.7
403.24893	8.2
403.33466	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	403.2551
Annotation	Ala-Leu-Leu-Ser
Peak:m/z	Relative Intensity
52.55310	0.5
55.02361	0.5
55.05525	0.8
56.05039	3.8
59.57035	0.5
65.99830	0.5
67.05505	1.5
69.04561	2.7
69.07076	2.0
70.06575	0.8
71.05009	4.1
71.08595	0.6
72.04508	2.8
72.08151	0.6
74.02428	2.7
74.06084	6.0
76.05126	0.6
77.60332	0.6
79.05507	1.4
80.05017	0.7
81.07059	3.3
84.08141	0.7
85.06535	0.8
86.09677	0.8
91.05499	0.6
91.11588	0.7
93.07046	1.4
95.08624	2.3
96.05618	24.0
96.08173	0.6
97.10197	0.7
102.05549	2.9
107.08619	0.9
108.05589	3.5
109.06435	0.8
110.07159	3.2
116.08231	7.8
118.05010	2.1
119.08559	0.7
120.06606	3.1
121.10136	1.5
122.07153	2.7
128.08203	3.6
133.10165	0.5
135.07649	2.2
135.11732	1.1
138.12781	4.9
140.14328	0.7
142.09741	1.2
147.11667	0.7
149.13281	0.9
162.13727	0.6
168.13847	0.7
170.11728	0.6
184.13322	2.3
186.14879	0.8
194.15367	0.8
202.14410	1.2
206.16658	4.0
210.14838	1.4
212.16443	3.7
219.15157	0.8
234.16003	19.1
252.17110	8.0
253.41197	0.7
254.18604	2.8
256.14413	0.8
270.18115	56.4
283.40103	0.6
299.14587	0.7
302.20795	3.6
310.21429	0.7
326.20944	2.7
327.18039	1.2
327.24063	0.9
336.19360	2.1
354.20328	2.3
359.16559	1.3
371.12534	0.7
371.19263	0.9
371.22882	40.0
403.15747	11.6
403.25534	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.255
Annotation	Ala-Leu-Leu-Ser
Peak:m/z	Relative Intensity
56.05027	3.8
66.64651	0.8
67.05521	1.1
67.60428	0.8
69.04558	0.8
69.07077	0.8
71.04984	1.8
72.04500	1.1
74.02431	1.4
74.06084	4.1
81.07063	1.7
93.07047	1.3
96.05627	19.1
97.10159	1.2
102.05483	1.7
108.05644	1.1
110.07129	1.3
116.08205	6.6
118.04990	1.7
120.06594	1.4
122.07151	2.0
128.08192	1.9
135.07693	1.5
138.12811	4.9
168.13773	1.1
206.16568	3.5
212.16447	4.1
234.15996	10.6
252.17055	5.7
254.18666	1.2
270.18091	41.0
287.17490	0.9
302.20795	1.9
336.19199	1.1
354.20172	1.9
371.22858	34.3
403.25519	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	403.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55634	0.7
56.05037	3.6
60.59589	0.7
67.05515	1.9
68.18021	0.9
69.04568	1.9
69.07090	1.0
70.03004	0.7
71.05000	2.0
72.04519	3.5
74.02440	1.6
74.06080	4.7
81.07047	4.0
92.21470	1.0
93.07040	3.2
95.08606	1.3
96.05602	17.5
102.05585	1.4
108.05590	0.9
110.07151	3.5
113.09525	1.4
116.08217	5.1
118.05052	1.5
120.06605	1.0
121.10154	0.9
122.07202	1.7
128.08206	3.7
135.37048	0.8
138.12808	3.4
142.09767	1.5
149.04500	0.8
166.12314	1.1
166.27652	1.0
168.13855	3.9
186.14940	4.5
206.16568	4.3
212.16505	4.8
234.15999	14.4
252.17084	11.1
254.18625	1.8
270.18115	59.5
302.20712	1.0
310.21667	0.9
326.20663	3.1
336.19180	1.8
340.52664	0.9
354.20071	8.9
358.23169	1.1
371.22891	48.7
403.25522	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.4
61.43731	1.2
67.05505	2.2
69.07063	7.6
79.05532	1.6
81.07057	6.6
82.94567	1.1
93.07042	2.3
95.08606	13.5
101.47990	1.2
105.07014	4.7
107.08596	8.2
107.14986	1.2
109.10178	10.9
119.08581	10.9
121.10141	6.9
123.11698	2.6
131.08580	2.6
133.10141	8.8
134.76514	1.6
135.11705	2.6
142.39772	1.2
143.08572	1.8
145.10121	13.9
147.11644	9.3
149.13303	4.5
157.10124	8.2
159.11688	8.8
161.13284	5.7
163.14781	1.4
169.10089	1.9
171.11699	9.3
173.13281	6.1
175.14848	2.4
183.11719	4.8
185.13295	7.6
187.14818	2.8
191.91031	1.3
197.13330	2.8
199.14861	6.3
200.32506	1.6
201.16371	2.0
209.13272	1.9
211.14772	2.9
213.16420	1.8
215.17967	2.3
223.14755	2.3
225.16359	2.5
227.17947	2.3
228.90370	1.4
234.69154	1.6
235.54443	1.3
237.16360	1.5
239.17902	2.1
241.19423	2.2
251.17921	5.5
253.19533	1.5
253.95253	1.3
265.19553	2.5
267.21078	3.1
277.19489	1.5
277.28455	1.3
279.21124	2.2
293.22668	6.1
295.24225	1.5
319.23993	1.5
347.27319	2.8
403.33588	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.3355
Annotation	4,4'-Diaponeurosporene
Peak:m/z	Relative Intensity
58.41345	1.4
60.36009	1.3
69.07069	7.8
72.33630	1.3
81.07057	10.4
83.08644	2.4
93.07053	1.7
95.08601	12.7
96.31837	1.5
104.18790	1.6
105.07034	7.0
107.08595	11.4
109.10143	15.6
119.08589	16.7
121.10144	10.1
123.11695	8.9
131.08519	2.9
133.10129	14.2
135.11717	8.2
137.13208	2.6
145.10114	36.3
147.11678	10.4
149.13235	6.6
157.10193	7.8
159.11699	13.2
161.13190	5.8
163.14780	3.5
169.10138	6.3
171.11629	14.4
173.13280	8.8
175.14864	2.2
183.11668	3.4
185.13225	6.7
187.14815	3.0
189.16336	3.3
197.13286	2.9
199.14850	7.8
201.16360	2.8
211.14752	3.4
213.16180	1.7
215.17885	2.2
223.14838	1.9
225.16389	2.7
229.19525	1.8
231.21060	2.0
237.16277	2.0
239.17934	2.2
243.20984	2.0
251.17903	3.4
253.19534	1.7
265.19550	2.6
267.21075	6.6
277.19519	2.1
279.21039	3.5
281.22708	2.0
293.22610	2.1
345.20602	1.7
347.27347	2.3
403.28229	3.6
403.33578	100.0
418.68365	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	403.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56247	0.4
55.05518	1.1
57.07090	0.5
67.05511	2.0
69.07076	4.5
79.05463	0.5
81.07067	6.7
83.08631	2.6
91.05466	1.1
93.07030	4.8
95.08606	10.8
97.10174	1.0
105.07052	6.0
107.08606	8.1
109.10157	9.1
119.08562	8.7
121.10147	8.0
123.11702	4.6
131.08589	2.9
133.10110	5.5
135.11696	4.5
137.13182	0.5
143.08575	2.7
145.10144	10.1
147.11702	7.1
149.13258	4.1
155.08575	0.9
157.10141	5.1
159.11699	6.6
161.13306	5.5
163.14850	4.4
169.10138	2.7
171.11703	7.5
173.13298	7.3
175.14783	4.1
177.16437	0.9
181.10118	0.6
183.11694	3.4
185.13293	5.8
187.14856	5.2
189.16452	2.1
195.11711	2.6
197.13277	3.4
199.14842	3.2
201.16382	4.3
203.17926	0.8
209.13254	2.9
211.14865	3.1
213.16402	3.2
215.17995	2.8
223.14781	2.6
225.16379	2.9
227.17767	4.0
229.19637	2.0
237.16380	3.0
239.18022	3.2
241.19469	1.9
243.20982	0.9
249.16373	0.7
251.17967	4.1
253.19443	2.7
255.21103	2.8
263.18008	0.8
265.19568	2.8
267.21066	5.2
277.19391	1.6
279.21133	4.2
281.22626	3.1
291.21106	2.6
293.22592	5.6
295.24341	1.0
305.22696	0.8
307.24258	3.1
319.24234	2.3
321.25681	1.2
333.25848	2.4
347.27371	3.5
361.29083	1.1
364.42926	0.6
375.30429	0.9
403.33600	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.0
57.07075	0.7
62.14785	0.5
67.05524	4.0
69.07079	5.0
69.65694	0.5
79.05502	1.0
81.07060	7.8
83.08617	2.1
91.05463	0.8
92.21576	0.6
93.07030	4.4
95.08606	11.8
97.10180	1.4
98.58250	0.5
105.07013	5.3
107.08603	9.0
109.10161	9.1
119.08579	10.1
121.06433	0.6
121.10136	5.7
123.11688	4.2
126.37621	0.7
131.08588	3.1
133.10138	4.1
135.11691	3.5
137.13272	0.9
143.08560	0.9
145.10143	10.7
147.11685	6.1
149.13297	4.5
157.10132	5.1
159.11667	7.1
161.13240	4.4
163.14799	3.4
169.10120	3.2
171.11685	7.1
173.13232	6.2
175.14833	4.7
177.16367	1.3
181.10315	0.6
183.11729	3.6
185.13203	5.4
187.14825	4.4
189.16412	3.0
195.11710	2.2
197.13225	2.6
199.14807	5.4
201.16411	3.8
203.18024	1.2
209.13246	1.2
211.14766	3.9
213.16405	3.7
215.17941	2.6
223.14906	1.3
225.16367	3.4
227.17964	3.0
229.19514	0.8
231.21049	0.7
237.16475	2.5
239.17981	3.2
240.24802	0.7
241.19530	2.1
243.21115	0.8
245.22925	0.6
249.16438	0.9
251.17909	3.2
252.18550	0.6
253.19562	3.0
255.21167	1.1
261.81799	0.6
265.19519	3.5
267.21027	4.0
277.19598	1.6
279.21143	3.4
281.22626	1.3
291.21222	1.0
293.22620	3.6
295.24213	1.0
305.22647	1.3
307.24222	2.5
319.24170	2.6
321.25751	1.0
333.25934	2.2
347.27347	3.5
403.33600	100.0
419.08347	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	2.3
55.61694	0.4
56.00807	0.4
57.07083	1.9
59.53776	0.4
65.65247	0.4
67.05509	3.7
69.07066	7.6
70.87446	0.4
71.08611	0.4
77.87605	0.4
79.05501	2.1
80.65939	0.4
81.07059	10.1
83.08611	3.1
85.56339	0.4
91.05486	1.0
93.07037	6.1
95.08604	16.4
97.10162	2.2
97.34496	0.4
103.58357	0.5
105.07039	6.5
107.08593	10.0
109.10151	13.0
111.04420	0.5
111.11704	0.5
117.06944	0.5
119.08577	12.5
121.10128	9.4
123.11681	5.1
131.08562	3.4
133.10110	7.5
135.11674	5.4
137.13306	1.8
140.18040	0.4
143.08569	3.0
145.10123	15.9
145.11220	0.8
147.11691	8.2
149.02341	4.4
149.13246	4.8
150.02682	3.0
155.08574	0.8
157.10104	5.7
159.11687	10.4
161.13242	6.3
163.14821	3.2
169.10089	4.1
171.11667	9.3
173.13246	7.4
175.14832	3.7
177.16370	1.0
181.10114	0.9
183.11720	5.5
185.13226	6.8
187.14796	5.8
189.16423	1.9
191.18042	0.5
195.11708	2.5
197.13266	3.4
199.14841	5.4
201.16356	5.2
203.17967	2.0
204.83409	0.4
207.11636	0.4
209.11485	0.5
209.13281	2.9
211.14754	4.3
213.16310	4.5
215.17979	2.7
217.19409	0.8
221.13168	0.8
223.14821	3.0
224.09886	0.5
225.16388	4.1
227.17935	2.8
229.19559	1.0
237.16388	2.7
239.17921	3.3
241.19456	3.1
243.21095	0.9
249.16380	1.0
251.17877	5.8
253.19435	3.4
255.21106	2.2
257.22763	0.5
263.17950	1.8
265.19522	3.4
267.21115	5.7
269.22607	0.5
277.19574	1.7
279.21033	3.6
279.39865	0.5
281.22620	3.5
291.21017	2.9
293.22592	5.5
295.24191	2.3
305.22818	0.8
307.24374	4.2
307.27390	0.4
319.24173	2.7
321.25812	1.8
330.07944	0.4
333.25793	2.9
347.27136	3.8
361.28845	1.0
375.30539	0.6
388.31055	0.5
403.33578	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02771	1.3
55.01879	6.4
55.05509	1.7
56.05037	1.4
61.02934	6.1
64.16518	1.6
69.03432	26.8
70.06605	12.1
72.08160	18.1
73.02905	8.0
73.08494	5.8
74.06084	6.0
81.03425	16.2
83.68528	1.5
84.04506	2.8
84.08144	6.5
85.02910	100.0
86.09704	9.1
87.00841	33.5
89.79400	1.7
97.02887	28.8
99.04439	12.3
99.05493	1.4
100.07585	1.5
103.03970	1.8
104.05375	1.5
105.01870	52.6
109.02197	2.2
109.02892	32.7
116.07086	8.7
116.86755	1.6
117.01888	2.0
120.08102	2.4
121.06509	31.1
126.05553	2.9
127.03920	64.2
129.01814	3.0
129.10278	6.9
137.93837	1.4
143.11824	6.2
144.12222	2.4
145.04980	29.0
147.02994	2.0
150.66095	1.6
159.02892	17.7
163.07545	1.6
173.09338	1.5
187.07516	1.9
188.06992	2.7
189.03975	13.5
196.50360	1.6
205.08444	2.3
213.03912	1.9
229.08481	2.8
231.05013	18.1
247.09668	3.6
249.06046	8.9
271.18506	2.1
333.09708	2.6
369.11679	3.0
404.15616	27.5
404.22064	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	404.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26253	0.7
51.77966	0.8
52.98819	0.8
55.01880	0.9
56.05029	1.0
58.06606	5.0
61.02941	1.7
69.03426	5.1
70.06586	1.9
71.04990	0.9
72.08164	6.5
74.19054	0.8
81.03431	1.4
84.04522	1.3
84.08140	5.4
85.02436	1.6
85.02910	24.5
86.09717	7.6
87.00819	1.8
87.05594	1.4
91.05492	1.4
97.02887	9.3
99.04423	1.1
105.01884	4.5
109.02882	3.8
110.07138	1.0
119.04924	7.7
120.08106	3.7
121.06512	12.6
127.03904	9.5
129.10243	3.8
135.44426	1.1
145.02925	1.1
145.04947	7.2
147.04393	14.0
147.11331	1.3
159.02930	1.0
175.03905	53.7
175.11951	1.0
177.05463	3.6
178.79364	1.0
180.08690	6.0
183.10986	0.8
189.03951	1.5
192.04195	5.2
193.04875	1.6
194.05772	1.5
207.06525	100.0
225.07581	58.4
387.17688	1.0
404.13599	2.0
404.20853	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	404.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94552	0.4
58.06611	0.5
58.58304	0.4
61.02938	0.5
77.79769	0.5
84.17017	0.4
85.02907	6.4
86.09699	1.0
91.05482	2.2
93.44332	0.5
97.02872	1.8
100.78484	0.5
109.02881	0.6
109.67090	0.5
119.04922	7.0
121.06494	0.8
127.03929	1.2
143.47057	0.5
145.04904	0.8
147.04422	10.3
157.03993	0.7
175.03908	49.6
180.08687	2.4
183.06477	0.5
192.04195	6.3
207.06529	100.0
225.07574	42.7
235.84227	0.5
242.10324	0.5
404.17084	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04213	0.4
59.67395	0.4
72.08150	1.2
86.55079	0.4
89.03899	2.4
117.03364	7.1
124.97871	0.5
125.33872	0.5
145.02853	61.4
149.06036	3.5
152.09297	5.7
158.02759	0.6
164.09320	8.5
166.92874	0.5
169.07230	0.5
177.05467	100.0
182.10370	7.5
194.06764	0.5
210.07971	0.9
210.09866	16.2
210.11833	0.7
228.10905	33.2
278.93048	0.5
404.10599	0.8
404.15637	20.0
404.23691	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	404.1704
Annotation	roquefortine L
Peak:m/z	Relative Intensity
53.81050	0.5
56.05055	1.0
56.69682	0.5
58.06608	100.0
60.05660	0.8
63.04975	0.6
64.02133	0.5
69.17270	0.5
70.06591	1.4
72.04545	0.6
72.08159	5.0
73.08479	0.6
74.02364	0.7
74.06084	1.1
76.05116	1.6
84.04506	2.7
84.08154	6.5
86.09705	7.5
87.10049	0.8
90.05524	0.7
96.05605	1.0
97.59772	0.7
102.05533	1.0
110.07185	0.8
118.05009	0.8
120.08084	1.1
129.10255	2.6
177.09871	1.2
188.07028	1.3
198.63187	0.7
203.09915	0.6
214.39842	0.6
226.06345	0.7
265.50134	0.6
302.25635	0.7
341.10315	4.5
360.50241	0.7
372.14496	3.0
404.17053	71.7
404.21890	3.4
404.25601	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	404.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70471	1.5
58.00354	1.6
79.05455	1.9
95.08550	2.6
98.97580	38.1
105.07051	1.9
116.98602	23.2
129.70279	1.9
134.99638	10.1
137.05977	27.7
141.91231	1.8
148.66978	2.0
156.45262	1.8
220.00500	2.3
226.11159	13.9
235.02754	50.5
244.12244	4.5
251.09460	1.9
253.03818	76.6
262.86267	1.8
271.04996	3.3
404.17456	100.0
404.34427	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
52.10726	0.3
53.91061	0.3
55.05514	0.6
56.48396	0.3
57.03445	2.2
57.07089	0.4
57.50445	0.4
61.40750	0.4
62.54869	0.4
67.05505	3.3
69.07068	1.9
71.04992	0.5
71.08634	13.5
79.05493	2.1
80.28752	0.4
81.07067	3.8
83.08628	1.8
88.07634	0.4
91.05490	1.8
93.07043	3.6
95.04933	0.5
95.08607	6.9
97.06545	0.7
97.10171	1.6
99.08097	10.6
105.07025	1.7
107.08614	1.9
109.10144	3.2
111.08109	0.6
117.07015	0.6
117.09122	0.5
119.08598	2.7
121.10165	0.8
125.09652	1.6
129.07870	0.4
131.08565	0.6
133.10153	1.9
135.11699	0.9
137.09546	0.4
145.10152	0.9
147.11700	0.7
151.11189	6.3
161.13255	2.0
162.56764	0.5
163.11215	1.6
173.11723	10.3
175.14766	0.5
177.46396	0.4
179.14352	2.4
215.12816	0.9
229.14308	0.5
253.17906	1.8
259.20618	0.6
274.27454	0.8
277.21530	3.5
344.12274	0.5
346.10837	0.8
346.14685	0.5
351.25308	22.4
359.15134	0.9
360.15918	7.2
369.22595	1.2
369.26462	4.9
374.13855	2.1
376.18988	0.8
381.16098	0.5
388.15451	32.2
389.16211	6.0
404.18625	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	404.2064
Annotation	20-hydroxy-fusarin
Peak:m/z	Relative Intensity
55.05519	1.4
55.06630	1.2
56.29351	1.5
59.41119	1.3
59.84994	1.5
61.02909	1.6
67.91857	1.4
69.03433	14.4
71.05005	1.8
81.03433	2.9
81.07094	1.9
83.04984	6.1
85.02904	2.6
92.21366	2.9
92.42123	1.7
93.07028	11.6
102.39828	1.4
105.07030	100.0
111.04419	6.0
117.86186	1.4
117.95233	1.7
118.24525	1.3
119.04953	1.9
119.08544	1.6
121.06507	49.8
129.05450	3.7
138.15186	1.4
147.06490	3.5
186.36258	1.5
267.12219	7.0
271.46997	1.6
387.18134	15.8
404.34055	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	404.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93018	1.2
53.45667	1.1
55.05516	1.8
58.06614	13.4
67.05515	11.1
67.37582	1.3
67.71781	1.3
69.03442	1.6
70.67096	1.4
85.02897	5.8
85.06553	20.2
86.09697	2.3
93.07079	2.0
95.04964	2.2
95.08611	100.0
105.07024	1.5
107.08593	10.2
109.10165	1.6
113.06023	16.4
119.08612	15.6
121.10127	8.6
123.08073	65.9
123.11716	2.9
133.10153	1.9
134.84029	1.3
135.11702	31.8
137.09634	3.5
145.10162	1.6
147.08107	1.9
147.11699	7.4
149.09630	28.7
151.14836	7.8
161.13263	19.2
163.11162	8.2
165.12819	10.6
173.18352	1.3
179.14290	3.2
189.12737	17.6
207.13808	73.2
225.14877	16.2
235.03632	1.5
259.88403	1.5
320.45093	1.7
404.16965	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	404.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14186	0.7
57.03429	0.9
59.04961	1.0
68.19444	0.7
69.03432	4.7
70.06594	1.0
72.08166	0.9
79.05481	2.0
84.08155	1.1
85.02917	7.0
85.04127	0.9
86.09728	1.6
91.05489	5.0
92.07807	0.9
93.07043	10.6
95.04958	1.0
95.08596	4.5
97.02875	0.9
98.97565	1.0
105.07020	3.5
105.38905	0.9
107.08592	100.0
119.08560	3.9
121.06517	1.0
121.10144	19.8
127.07537	4.5
131.08568	90.4
137.09637	5.8
145.10143	1.2
147.11694	20.5
149.09613	26.0
165.12776	2.0
171.11641	1.9
177.05478	1.4
189.12744	67.7
207.13805	41.0
225.14882	1.2
259.37738	0.9
369.19089	6.3
372.12381	1.7
404.15427	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	404.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79854	0.6
53.16252	0.5
58.51886	0.6
60.04511	0.7
60.05652	1.4
60.32046	0.6
71.04983	1.1
75.04493	2.5
77.46761	0.7
79.05501	0.7
81.12543	0.7
93.06969	0.7
96.05593	0.8
98.03507	0.8
104.07124	0.9
110.07202	6.0
111.04419	1.6
112.05084	1.2
113.05871	0.8
119.08502	0.9
124.05043	3.2
124.11256	0.7
126.06638	18.1
134.09576	0.8
138.06572	2.6
140.04535	3.0
150.06627	1.0
150.12813	1.3
152.08257	0.7
161.09416	0.7
168.13803	1.4
178.12260	1.7
188.72485	0.6
192.15141	2.1
194.12953	1.3
196.13261	1.3
197.64192	0.7
198.16017	0.7
202.13422	5.3
204.11351	3.2
206.11783	0.9
212.11784	1.0
218.64481	0.8
220.14445	16.6
221.11624	1.1
222.12360	16.5
230.12888	9.2
236.14040	6.0
238.15523	6.1
244.31392	0.7
248.11502	1.0
248.13904	18.3
254.14946	2.5
258.99310	0.7
262.18909	0.7
266.12225	1.4
266.14984	36.2
270.17932	1.1
271.18582	5.1
280.16516	10.7
294.18008	1.0
298.17563	2.8
302.19705	1.4
307.15378	2.7
310.17712	1.4
312.19183	16.9
322.17599	3.3
328.18665	19.2
329.19199	1.1
333.13327	3.4
340.18658	32.9
351.14255	2.7
354.20224	3.1
369.15295	3.5
372.21268	100.0
402.58911	0.6
404.23874	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	404.239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50085	0.6
55.22170	0.5
56.71087	0.5
57.24567	0.5
57.59883	0.6
58.27780	0.6
60.04514	1.0
60.05651	2.7
71.04974	1.4
72.68643	0.7
75.04464	2.5
75.04861	0.6
81.07070	0.7
91.30231	0.7
93.07063	0.8
95.08584	1.0
96.05571	1.2
98.03532	0.6
109.00682	0.7
110.07214	4.8
111.04408	1.4
112.05086	0.8
113.05853	0.8
118.29619	0.7
119.08595	0.6
119.67342	0.6
124.05050	3.5
126.05791	1.2
126.06646	18.6
134.09615	0.7
138.06607	2.9
140.04544	4.7
150.06581	0.9
150.12747	1.3
161.09512	1.1
168.13925	0.6
178.12306	1.4
189.34918	0.7
192.14909	3.9
193.12198	3.1
194.12939	4.8
196.13399	1.0
200.04004	0.7
202.13351	2.9
204.11369	1.2
206.11749	0.9
208.14453	1.0
220.14467	15.5
221.11607	1.1
222.12370	16.6
224.64722	0.7
230.12840	9.7
236.13966	5.7
238.15469	4.6
248.13927	22.8
254.14853	1.3
256.37665	0.8
266.14963	41.0
270.18149	1.0
271.18365	4.0
280.16559	14.2
294.18124	0.8
298.17404	5.2
302.19601	1.4
307.15451	2.7
312.19156	17.3
322.17480	4.1
328.18683	17.9
329.19235	1.2
333.13211	2.8
340.18661	28.9
351.14200	1.5
354.19992	3.3
355.92249	0.8
369.15280	3.0
372.21271	100.0
404.23895	87.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31819	0.5
60.04532	3.5
60.05653	6.8
60.94456	0.5
66.33768	0.6
70.02946	0.7
70.06585	1.3
72.08167	2.8
84.08145	28.2
86.09709	16.1
92.21250	0.9
101.10812	1.3
110.06070	2.7
126.06674	1.0
129.10237	100.0
130.04939	0.7
136.06221	3.9
139.08682	1.1
141.10262	0.7
147.07709	0.6
154.04904	0.6
171.11362	1.0
181.09796	0.8
186.12454	0.9
189.12425	1.3
189.52614	0.7
197.16521	1.1
198.12402	2.5
199.10864	1.5
201.12363	0.7
216.13445	17.2
216.15526	0.6
224.17715	0.9
270.18231	1.2
311.20834	2.5
329.21881	3.7
386.24292	1.1
404.16275	1.9
404.25128	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	404.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07443	0.2
54.17333	0.3
55.05514	0.7
56.05036	3.4
57.05373	0.5
60.05657	0.5
67.05499	1.2
69.04546	2.2
69.07059	1.1
70.04869	0.3
70.07404	0.4
71.04982	2.3
72.04507	1.7
73.04841	0.6
74.02438	2.2
74.06076	4.6
75.06403	0.6
76.05133	0.6
79.05473	0.3
81.07062	2.4
82.06595	0.6
82.07389	1.3
83.08620	0.5
91.05448	0.4
93.07042	2.0
94.07362	0.5
95.08598	0.7
96.05614	17.4
96.08134	0.3
97.05340	0.7
97.05928	4.9
97.06498	0.5
98.10541	0.3
99.07969	0.5
102.05553	2.3
108.05590	1.8
109.05895	0.5
110.07141	2.8
111.07518	1.1
116.08202	6.1
117.07850	0.3
117.08566	1.5
118.05025	2.4
119.05344	0.4
120.06573	2.5
121.06921	0.4
121.10126	0.5
122.07175	1.4
122.10448	0.4
128.08197	1.7
129.08589	0.4
133.10068	0.3
135.07680	1.3
135.11794	0.3
138.12794	2.3
139.13130	2.4
140.14331	0.7
142.09753	0.6
143.10057	0.6
147.18053	0.3
160.07162	0.3
160.12077	0.3
167.12489	0.3
168.13824	0.5
184.13271	0.4
186.14815	0.5
187.15250	0.5
194.15494	0.3
199.16467	0.3
202.14496	0.5
203.14711	0.5
206.16579	1.5
207.16873	2.4
210.15079	0.3
211.15102	0.4
212.16447	1.6
213.16811	3.1
230.12764	0.5
234.16078	3.8
235.16318	10.0
238.16434	0.4
248.14038	0.5
252.17149	2.1
253.17403	6.1
253.19852	0.5
254.18610	1.4
255.18932	2.3
270.18097	13.8
271.18430	36.1
287.16583	0.3
290.15179	0.3
302.20673	0.5
303.21045	2.6
327.21060	2.5
328.24142	0.5
337.19489	2.3
355.20569	3.5
359.23441	0.7
371.22919	1.6
372.23190	34.7
404.25803	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	1.1
57.03444	0.8
57.07096	0.5
62.50957	0.4
67.05520	5.7
67.69250	0.5
67.94907	0.5
78.59106	0.5
79.05516	1.0
81.07056	1.1
83.08611	0.9
87.04465	11.1
93.07047	2.6
95.08616	0.8
97.10151	1.0
106.02103	0.6
107.08603	0.9
109.10144	6.6
119.08609	0.6
136.83597	0.7
146.09720	0.6
172.18109	0.6
172.45975	0.6
173.11748	0.7
229.14357	8.8
269.17499	2.2
286.21588	9.6
318.24283	42.9
320.08856	0.7
329.10156	0.6
332.09247	0.7
343.12088	0.8
346.10706	13.0
351.25226	3.3
360.12238	3.7
360.15952	3.0
372.15894	1.0
372.25375	0.7
374.13846	8.5
388.15366	3.9
389.16150	4.2
404.18814	41.3
404.27890	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	1.1
57.03444	0.8
57.07096	0.5
62.50957	0.4
67.05520	5.7
67.69250	0.5
67.94907	0.5
78.59106	0.5
79.05516	1.0
81.07056	1.1
83.08611	0.9
87.04465	11.1
93.07047	2.6
95.08616	0.8
97.10151	1.0
106.02103	0.6
107.08603	0.9
109.10144	6.6
119.08609	0.6
136.83597	0.7
146.09720	0.6
172.18109	0.6
172.45975	0.6
173.11748	0.7
229.14357	8.8
269.17499	2.2
286.21588	9.6
318.24283	42.9
320.08856	0.7
329.10156	0.6
332.09247	0.7
343.12088	0.8
346.10706	13.0
351.25226	3.3
360.12238	3.7
360.15952	3.0
372.15894	1.0
372.25375	0.7
374.13846	8.5
388.15366	3.9
389.16150	4.2
404.18814	41.3
404.27890	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47507	4.8
53.77904	6.1
55.05520	15.4
57.07082	8.2
67.05515	57.3
67.05807	6.7
69.07078	36.0
71.08628	31.6
71.48221	5.6
79.05487	36.6
81.03419	12.4
81.07059	59.6
83.04987	10.1
83.08633	11.9
85.10184	16.1
91.05488	27.3
93.07053	65.8
95.04953	10.2
95.08605	100.0
97.06520	9.8
97.10198	12.3
97.29747	5.6
99.08121	15.3
105.07040	34.0
106.10403	6.6
107.08608	41.5
109.10150	35.8
113.09644	33.2
119.08592	39.9
121.10129	55.7
125.09624	13.4
129.06958	10.0
129.62144	6.5
131.08568	14.6
133.10107	16.0
135.11658	15.8
139.11195	30.0
141.12711	10.7
142.44925	6.6
145.10181	11.5
147.11671	14.3
149.09564	14.5
151.11205	10.4
161.13292	10.0
163.11191	9.4
165.12755	38.6
183.13792	7.8
193.12178	7.6
217.67778	8.4
259.15494	9.9
259.20645	8.3
277.21664	94.0
295.22784	67.8
296.91815	7.2
351.25244	32.3
369.26422	41.4
404.33981	12.5
414.35028	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	404.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96413	3.0
53.61597	3.7
55.05517	16.9
57.03440	10.2
57.65751	4.1
60.16561	4.5
61.49966	3.5
62.03191	3.5
64.68815	4.2
67.05511	98.8
68.14857	3.4
69.07061	28.9
71.04998	4.1
71.08625	7.5
79.05521	47.3
81.03432	5.4
81.07058	100.0
83.04984	16.4
83.08608	19.7
85.88042	3.5
91.05486	25.9
93.07047	74.5
95.04956	9.8
95.08597	58.3
97.06523	7.5
97.10153	4.4
105.07021	24.8
107.08586	47.8
109.06528	6.3
109.10156	25.9
111.08074	7.8
117.06986	7.5
119.08549	19.1
121.10139	34.5
123.11749	6.6
131.08565	20.3
133.10104	17.4
135.11670	25.9
139.11201	7.4
145.10150	8.0
147.11722	6.4
149.13260	24.8
159.11711	21.4
161.13292	17.8
163.11186	4.7
163.14783	9.1
173.13173	7.1
193.41608	4.8
195.13896	4.9
197.11328	4.2
229.14206	4.7
243.21025	23.6
261.22073	40.1
269.17447	87.5
304.14816	4.8
353.26889	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	404.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	2.4
55.05514	13.6
57.03438	15.7
67.05518	50.9
69.03433	10.4
69.07072	16.8
71.05011	3.4
71.08639	11.9
79.05495	18.0
81.07067	48.6
83.04984	11.4
83.08627	17.9
85.06549	3.8
87.04457	3.3
91.05482	14.1
93.07047	51.3
94.32729	2.3
95.04971	4.9
95.08616	18.3
96.79875	2.1
97.06567	7.9
97.10186	11.2
99.08106	9.8
103.03942	2.6
105.07042	63.0
107.08608	28.4
109.06520	3.6
109.10152	47.1
111.08083	4.3
117.07024	3.9
119.08614	4.0
121.06519	36.2
121.10147	11.6
125.09617	11.5
129.05452	2.5
131.08554	2.7
133.10138	13.2
135.11690	5.6
137.09630	3.8
149.13264	12.1
155.10687	4.2
159.11714	11.2
173.11758	13.6
175.14789	2.1
177.12788	4.7
179.14154	2.7
187.09711	4.6
189.11217	4.4
227.12865	11.3
229.14357	67.1
233.46696	2.6
235.87086	2.1
245.13704	4.3
255.37148	2.5
259.20544	3.7
267.12268	4.8
269.17490	100.0
269.20227	4.8
277.21548	10.0
311.59494	2.7
325.10098	2.5
351.25296	40.9
369.26135	9.0
387.17868	4.4
404.18597	4.5
404.29437	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	404.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79464	1.3
55.05525	2.4
57.03435	3.3
57.07074	1.8
60.15901	1.2
67.05512	31.6
69.07061	7.3
71.04992	1.8
71.08640	3.0
79.05522	5.6
81.07051	17.4
83.08634	3.6
84.59916	1.8
87.04494	12.6
87.04940	1.5
88.39106	1.5
91.05489	2.7
93.07045	14.1
95.04988	1.6
95.08604	10.4
97.06512	1.6
99.08116	3.8
105.07020	6.7
107.08601	8.5
109.10154	40.3
111.08082	1.9
117.07021	2.0
119.08584	8.4
121.10138	1.6
133.10130	2.3
135.11664	2.4
137.09630	2.0
149.13210	2.6
150.38654	1.5
151.11179	2.5
155.10696	6.4
159.11679	2.0
161.13254	2.4
166.64661	1.4
171.11661	1.5
173.11760	8.4
177.12700	1.9
209.58589	1.5
227.12781	3.0
229.14342	40.1
269.17496	17.7
277.21661	6.2
286.21713	10.4
318.24277	49.2
346.10568	2.2
351.25323	23.0
369.26010	1.7
404.19385	17.6
404.27942	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16521	2.6
55.01882	2.9
55.05529	7.3
57.03438	20.7
57.10673	2.2
58.71724	2.9
59.28578	2.6
60.11613	2.5
61.94262	3.3
67.05515	42.2
69.07079	18.4
71.08639	30.7
79.05503	22.7
81.07064	55.3
83.04975	13.5
83.08630	19.4
88.88386	3.5
89.61320	3.0
91.05473	19.9
93.07048	50.8
95.04972	13.5
95.08601	25.9
97.06522	13.9
97.10174	12.8
99.08094	7.1
105.07037	17.9
107.08609	36.9
109.10178	6.8
111.08080	6.9
117.07060	7.8
119.08602	14.1
121.10172	15.6
125.09665	11.6
133.10117	14.8
135.11748	4.6
139.11203	4.3
139.81186	3.6
145.10075	3.3
147.11699	6.4
149.13284	16.6
151.11224	12.7
159.11687	17.8
163.11211	5.9
173.11774	6.3
177.12735	20.5
179.14360	5.8
186.78291	3.3
189.11186	3.9
227.12689	23.1
229.14375	3.6
246.11053	3.5
259.20648	5.3
269.17450	100.0
277.21625	19.9
286.20093	4.3
348.40970	3.4
351.25305	63.3
385.99246	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	404.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	7.7
57.03441	11.1
59.05022	2.0
63.76403	1.3
67.05511	53.0
69.03418	1.9
69.07059	7.0
71.04991	2.4
71.08605	2.0
75.09560	1.4
79.05505	8.3
81.03445	2.2
81.07063	19.7
83.04970	2.5
83.08614	10.8
91.05474	10.1
93.07039	16.8
93.33610	1.6
95.04964	8.2
95.07691	2.0
95.08607	14.2
97.06510	3.4
97.10185	8.8
99.08110	2.0
103.03950	2.8
105.07011	6.8
107.08585	10.6
109.10156	73.1
109.27836	1.6
111.08091	4.0
119.08566	11.5
121.10122	6.7
122.69175	1.7
123.11697	1.7
125.09600	10.2
127.11217	1.8
133.04817	1.7
133.10066	3.2
137.09598	4.1
139.11230	2.1
147.11655	3.5
149.13283	2.3
152.45941	2.0
155.10689	11.5
158.99681	2.0
161.13199	2.5
173.11729	20.2
189.11313	2.7
214.70193	1.6
215.50615	1.6
227.12761	10.3
229.14352	100.0
245.13994	3.4
259.20532	2.1
269.17383	1.9
277.21564	18.8
290.12939	1.9
351.25327	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	405.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93319	1.2
57.04414	1.2
60.87967	1.1
69.07063	1.5
70.06588	1.4
71.17590	1.4
72.13091	1.1
79.18929	1.4
81.03413	1.1
81.07062	1.4
83.04994	1.8
85.02876	4.5
86.09680	8.6
91.05457	1.5
92.50839	1.3
95.04973	1.7
97.06470	1.3
109.10102	2.1
111.11746	1.5
114.09158	7.9
119.08601	1.3
120.08077	5.9
120.08912	1.7
121.38158	1.3
123.11687	1.4
124.12110	1.6
129.10254	1.5
137.09680	1.7
165.12785	5.5
166.13072	8.8
167.07030	2.7
207.13870	1.8
208.14117	5.8
222.37561	1.4
225.06577	11.7
227.11801	1.8
239.08185	10.7
243.07570	1.8
245.12831	43.2
253.09641	12.9
255.07674	2.0
255.11247	3.1
257.05637	1.4
257.09167	10.4
261.55011	1.5
267.07611	15.3
271.10748	10.8
273.08957	1.7
281.09180	20.2
283.10742	3.1
285.08655	6.7
289.11884	5.3
293.09131	2.1
297.08548	2.0
299.06812	2.8
299.10205	49.7
301.11868	1.9
309.08707	51.0
311.09961	2.0
317.11450	2.6
327.09763	77.2
329.11310	2.4
337.08182	2.2
345.10794	100.0
355.09546	9.5
364.36288	1.4
373.10275	69.1
387.11823	6.4
405.12872	70.5
405.18073	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	405.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.9
55.05810	0.7
56.12179	0.8
63.31899	0.8
86.09702	3.5
92.20990	1.1
114.09180	13.5
119.05007	0.9
142.05983	0.9
167.07043	4.0
173.12892	3.2
188.07117	1.9
201.12366	0.9
205.09735	1.4
209.16470	0.9
211.08821	1.0
213.10300	1.8
225.06609	19.1
227.11833	1.6
239.08168	10.5
243.07664	5.2
245.12872	35.6
253.09787	9.1
255.07671	4.4
255.11310	5.0
257.05609	1.5
257.09195	9.7
267.07635	19.9
269.09219	1.1
271.06946	1.1
271.10748	11.7
273.12308	1.0
275.10330	1.5
281.05887	1.4
281.09210	30.3
283.10687	3.0
285.08737	8.3
289.11832	3.4
293.09143	5.6
295.07251	1.2
297.08737	1.9
299.06769	4.7
299.10233	45.7
309.08716	47.1
311.10333	6.2
317.11212	3.7
320.93890	1.0
327.09763	86.8
329.11255	6.4
337.08252	3.5
345.10837	90.7
355.09253	10.0
359.12848	1.0
373.10303	100.0
387.11816	6.4
395.79468	3.4
396.29633	1.6
404.79849	1.1
405.12912	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	405.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05041	17.1
59.97667	1.3
60.04519	7.4
69.07067	1.3
70.02954	2.2
70.06590	10.8
71.04983	7.3
72.04510	6.5
72.08157	6.6
74.06074	12.6
76.05109	3.1
78.82707	1.5
81.07066	2.1
84.04485	7.8
84.08141	6.5
86.09699	10.1
88.03989	29.7
88.07610	2.4
92.20929	1.9
96.04478	3.4
96.05592	1.9
96.08144	3.1
97.04028	6.7
98.09695	33.7
102.05544	10.5
110.07138	3.5
113.07097	2.0
113.09618	2.6
115.88716	1.5
116.08177	2.4
118.04996	2.6
120.06600	2.3
120.08083	2.2
122.07146	3.1
122.60014	1.5
124.07563	3.7
129.10220	5.5
130.06149	1.8
132.10197	6.5
136.07578	2.1
138.10257	2.1
139.08699	2.5
140.02864	1.7
143.26889	1.8
150.10281	2.4
152.04544	6.5
156.11331	2.6
157.06102	3.3
159.07623	3.2
160.07153	6.2
164.11845	13.7
166.06102	12.6
167.39796	2.0
169.44283	1.7
172.09686	7.4
175.63271	1.8
187.07014	2.3
189.12267	1.8
190.09709	3.7
194.05562	7.3
194.09230	7.4
208.10789	3.8
211.10739	2.2
211.42584	1.6
212.06645	33.0
215.11409	1.8
215.13930	2.6
232.09364	2.0
239.10165	1.8
244.09219	3.5
254.11296	7.5
256.12814	2.6
272.12393	34.2
274.10306	2.8
276.08112	2.1
373.17154	100.0
405.19659	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	405.198
Annotation	alcaligin
Peak:m/z	Relative Intensity
50.41526	1.6
52.64205	1.8
56.05054	17.1
60.04530	14.6
66.48000	2.2
68.80999	2.3
68.81367	2.1
69.04546	2.2
70.06596	22.1
70.27683	1.9
71.04986	2.0
72.04541	2.8
72.08157	21.8
72.10456	1.9
74.06084	17.4
76.05126	12.9
84.04517	11.3
84.08150	17.4
84.57491	2.1
85.02893	4.4
86.09165	3.7
86.09705	100.0
87.05596	4.0
88.03992	21.9
88.07613	3.3
91.34118	2.3
95.81575	2.0
96.05606	4.6
98.06090	2.6
98.09689	17.5
102.05551	16.7
110.07163	8.5
110.62839	2.2
114.09157	2.6
117.11044	2.4
118.05013	3.8
120.06580	4.6
120.08131	4.4
124.07566	3.1
126.05503	12.6
129.10245	11.7
134.04501	2.2
136.07599	3.2
143.11809	2.8
143.66757	2.1
144.06516	5.1
145.06012	2.4
150.10234	2.4
154.05005	11.8
156.11285	20.8
157.11717	5.2
159.11281	4.5
164.11716	2.8
166.06102	8.4
171.07625	11.7
172.09593	3.8
174.12360	12.7
175.12778	4.2
177.08588	3.3
185.09201	3.0
189.08684	28.3
189.12367	29.1
194.05652	2.9
201.12334	2.4
212.06604	17.8
213.32408	2.1
215.07332	2.9
217.08134	21.4
234.97224	2.2
257.16110	2.5
272.12390	18.2
330.16864	8.1
373.17157	58.6
387.20728	20.6
405.19470	66.6
410.53427	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	405.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43345	1.0
55.05504	1.5
57.03442	1.0
57.07085	1.2
57.67213	0.9
67.05499	4.7
67.50914	0.8
69.07069	9.5
78.00220	1.0
79.05550	0.9
79.76677	0.8
81.07071	7.5
83.04969	1.3
83.08609	1.6
93.07038	4.8
95.08607	10.2
97.10195	1.3
105.07036	4.5
107.08582	9.9
109.06490	1.3
109.10134	4.9
119.08609	7.1
120.23189	0.9
121.10162	7.4
123.08063	4.0
123.11700	2.1
129.12775	1.3
131.08583	1.3
133.10155	5.3
135.08064	3.8
135.11707	4.7
137.09616	1.1
137.13232	1.1
145.10146	4.4
145.53600	0.9
147.11697	3.8
149.02353	5.2
149.09650	1.9
149.13263	1.8
151.75787	1.1
159.11684	2.3
161.13266	3.9
163.14876	4.1
165.12750	2.3
173.13304	1.7
175.14778	2.1
179.14346	1.7
191.14201	7.3
201.16331	2.0
303.26819	15.5
331.22498	2.1
331.26273	39.5
375.76459	0.9
405.22412	100.0
405.30066	22.8
405.34915	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	405.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43345	1.0
55.05504	1.5
57.03442	1.0
57.07085	1.2
57.67213	0.9
67.05499	4.7
67.50914	0.8
69.07069	9.5
78.00220	1.0
79.05550	0.9
79.76677	0.8
81.07071	7.5
83.04969	1.3
83.08609	1.6
93.07038	4.8
95.08607	10.2
97.10195	1.3
105.07036	4.5
107.08582	9.9
109.06490	1.3
109.10134	4.9
119.08609	7.1
120.23189	0.9
121.10162	7.4
123.08063	4.0
123.11700	2.1
129.12775	1.3
131.08583	1.3
133.10155	5.3
135.08064	3.8
135.11707	4.7
137.09616	1.1
137.13232	1.1
145.10146	4.4
145.53600	0.9
147.11697	3.8
149.02353	5.2
149.09650	1.9
149.13263	1.8
151.75787	1.1
159.11684	2.3
161.13266	3.9
163.14876	4.1
165.12750	2.3
173.13304	1.7
175.14778	2.1
179.14346	1.7
191.14201	7.3
201.16331	2.0
303.26819	15.5
331.22498	2.1
331.26273	39.5
375.76459	0.9
405.22412	100.0
405.30066	22.8
405.34915	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	405.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03220	0.8
54.81971	1.1
56.05034	2.2
67.05505	2.2
72.04509	6.8
74.02423	0.9
74.06083	1.5
76.05133	19.6
81.03427	4.5
83.08624	1.4
86.07207	2.1
95.04958	1.3
96.05609	14.9
102.05556	2.4
109.10181	5.3
114.06652	13.6
118.05043	7.2
120.06584	2.1
135.07697	2.1
136.24670	1.0
147.11752	1.1
156.11339	1.6
160.07195	8.6
175.11217	1.4
177.09827	9.3
193.12248	8.9
210.15001	1.3
211.13304	9.3
232.14421	2.1
268.16785	1.4
284.14996	1.1
286.17609	6.5
304.18753	6.0
387.22369	18.5
405.23489	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27935	0.8
56.05039	5.9
60.04530	1.6
60.05657	1.6
67.05499	2.0
70.06600	4.4
72.04522	4.6
72.08154	2.2
74.02445	1.3
74.06073	5.0
75.95760	0.9
76.05138	22.3
80.05022	1.4
81.03412	5.7
81.07047	1.7
83.08641	3.8
84.04508	1.9
84.08137	4.6
86.07202	1.8
86.09713	42.6
93.07026	2.0
95.04963	2.2
96.05618	19.1
97.06405	1.4
98.07185	2.0
102.05537	6.6
105.14462	1.0
109.10148	4.9
110.07176	1.3
111.08072	1.3
114.06651	19.0
116.07100	1.2
116.08234	1.3
117.06635	1.9
118.05045	9.7
119.08561	1.7
120.06590	4.5
120.08126	1.6
122.09709	0.9
124.11235	38.9
124.12162	1.5
129.10246	2.2
131.09331	1.3
135.07693	2.3
143.11806	1.4
147.11687	1.1
148.06020	1.8
157.10040	1.3
159.09201	1.8
160.07184	10.5
173.11694	0.9
175.11270	1.0
175.83679	1.1
177.09836	11.6
193.12256	9.5
208.10997	0.9
210.14926	1.1
211.13307	11.5
232.14426	4.0
249.51933	1.0
250.15494	1.2
258.14575	6.8
284.14996	1.5
286.17694	9.1
304.18710	6.6
357.20001	1.5
360.21204	1.4
387.22470	15.2
405.23734	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18455	0.5
54.38438	0.5
55.01874	3.2
55.05530	5.9
55.41758	0.6
57.03437	3.4
57.07088	2.7
67.05503	3.1
69.07076	9.8
71.08627	2.3
73.39038	0.6
79.05463	0.6
81.07068	4.0
83.08623	9.3
85.10224	0.6
93.07037	2.5
95.08604	3.0
97.06509	0.7
97.10174	4.9
107.08642	2.2
109.10201	0.7
111.08127	0.6
111.11676	0.8
113.00023	80.6
121.10158	3.3
135.11684	2.4
169.02611	100.0
235.89806	0.6
237.22191	8.0
312.13397	0.6
405.23895	4.0
405.34918	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	405.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53940	1.2
55.01871	7.0
55.05518	12.3
57.03440	3.3
57.07063	1.5
61.01141	1.4
65.32951	1.7
67.05502	21.7
69.03425	3.7
69.07073	15.3
71.05006	1.9
79.05505	14.5
81.03413	7.7
81.07048	27.6
83.04977	7.2
83.08612	8.2
85.02900	2.7
91.05486	15.6
93.07034	26.2
95.04967	2.7
95.08593	24.3
97.02881	2.9
97.06547	3.9
97.10186	3.6
99.04467	1.9
102.28066	1.4
105.07039	18.1
107.08575	17.0
109.06529	2.6
109.10146	11.8
111.04462	3.6
111.25219	1.4
112.99998	27.8
117.07018	11.9
119.08575	21.7
121.06512	3.9
121.10116	16.5
123.04501	2.5
123.08044	2.1
123.11674	3.3
125.09660	2.3
128.03314	1.6
129.07011	6.9
131.08557	16.8
133.06505	2.5
133.10158	16.5
135.08035	2.5
135.11708	12.6
135.97125	1.5
143.08611	8.8
145.10120	16.6
147.08055	3.8
147.11649	13.8
149.09618	2.0
149.13235	2.6
155.08492	2.3
157.10165	8.8
159.11679	12.1
161.09645	6.4
161.13235	3.2
167.08600	1.8
169.02596	33.4
169.10126	2.9
171.11682	10.0
173.13268	9.5
175.11230	3.2
175.14818	1.8
183.11678	3.3
185.13258	8.4
187.11229	2.7
195.11696	2.3
197.13271	2.3
199.14943	1.8
201.12735	2.0
213.12627	2.2
213.16429	1.8
227.14288	2.0
228.71935	1.6
233.15538	1.7
237.02560	1.6
237.22105	2.3
289.21582	1.9
297.22195	2.3
301.21594	5.8
303.23160	2.9
311.82993	1.7
315.23123	5.7
325.04202	1.9
327.23315	2.0
341.24655	3.3
345.24448	2.5
351.23227	6.7
369.24197	25.9
382.44064	1.7
387.25201	32.4
405.26349	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	405.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15570	1.8
52.09572	1.8
54.55183	1.6
55.05508	5.1
57.03421	1.8
60.22296	2.0
67.05518	23.1
67.31126	1.8
69.03425	9.1
69.07074	15.0
70.95005	2.1
73.02931	2.0
79.05489	14.3
79.11993	2.0
81.03429	11.6
81.07062	25.1
83.04982	4.1
83.08622	10.0
85.02899	4.0
85.06557	3.1
85.89956	2.1
90.04705	2.0
91.05472	16.5
92.21560	2.4
93.07050	29.7
95.04990	4.6
95.08611	29.0
97.02880	2.4
97.10201	7.6
105.07043	26.2
107.04996	2.4
107.08591	22.9
109.06546	2.5
109.10146	14.4
111.04415	4.6
117.07020	13.2
119.08608	24.3
121.06544	3.1
121.10149	15.9
123.11679	2.1
125.09638	2.5
129.07022	8.9
131.08539	20.2
133.06534	2.6
133.10130	21.3
135.08060	3.7
135.11711	8.9
143.08565	10.7
145.06468	2.9
145.10118	19.5
147.08075	3.2
147.11678	12.3
149.13217	5.2
151.07538	2.4
155.08568	2.5
157.10133	12.6
159.11697	19.1
161.09590	3.3
161.13228	4.4
169.10036	3.2
171.11708	9.0
173.13286	17.4
175.14832	3.8
181.08427	2.4
183.11668	4.2
185.13239	10.2
187.14818	8.4
199.14838	3.4
213.16339	2.9
259.20627	2.7
271.20554	3.1
273.21982	3.0
277.21503	3.3
285.22104	2.9
289.21777	3.2
301.21674	4.9
313.21591	4.2
315.23279	4.0
319.22919	2.3
341.24527	4.5
345.24423	4.0
351.23224	4.0
357.24487	2.4
369.24335	36.7
387.25290	35.2
403.45413	2.6
405.20953	6.1
405.26312	100.0
405.34845	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	405.2635
Annotation	7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate
Peak:m/z	Relative Intensity
50.26784	2.4
57.07079	19.4
67.05515	7.1
69.07085	3.0
71.08633	21.4
81.03423	2.7
81.07064	6.6
83.08625	4.4
93.07027	5.0
95.08614	6.3
105.07036	5.4
109.10160	86.0
119.08559	3.2
121.10143	3.8
127.11197	100.0
133.10115	3.7
135.11594	3.9
145.10164	4.1
147.11688	3.4
149.02348	89.4
149.58757	3.2
159.64287	2.6
175.11040	2.8
185.51353	4.1
208.66940	3.2
232.40398	3.0
257.74420	2.9
301.97787	3.1
305.55273	3.5
318.86203	3.4
366.75113	3.5
369.24335	5.2
387.25009	11.9
405.26489	21.1
405.34753	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	405.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67519	0.7
58.67846	0.6
67.05515	0.9
69.07065	1.3
81.07067	1.4
82.07427	0.7
92.21657	0.8
95.08585	3.2
100.37968	0.7
102.92281	0.8
105.01852	0.9
105.07049	0.9
107.08533	0.9
109.10178	1.3
119.08582	1.0
123.54584	0.9
138.34901	0.7
145.10184	0.9
149.13251	1.2
159.11703	1.4
161.09685	0.9
161.13274	1.4
187.14822	1.2
201.16541	1.1
206.87593	0.9
210.63463	0.7
253.19537	1.3
388.24591	0.8
405.23178	3.9
405.27231	100.0
405.35010	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	405.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	0.7
70.62966	0.4
95.08649	0.8
133.10135	0.7
135.07625	0.6
145.10132	0.6
154.42073	0.6
157.10081	0.7
159.84526	0.5
209.13235	0.6
249.94756	0.5
345.25888	1.0
388.24496	0.8
405.27252	100.0
405.35474	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	405.2844
Annotation	bhas#26
Peak:m/z	Relative Intensity
55.05515	8.1
57.07059	7.6
67.05513	56.6
69.07058	18.1
71.08620	7.8
79.05479	19.9
81.07054	82.5
83.08627	17.6
91.05490	12.4
93.07030	48.0
95.08601	36.9
95.24728	8.9
96.38503	9.5
105.07043	11.6
107.08598	37.4
109.10148	41.7
117.07093	7.8
121.10138	18.9
131.08620	12.5
133.10147	19.7
135.11676	12.2
145.10074	8.7
147.11633	11.4
149.13271	10.4
149.56602	8.6
159.11713	13.9
161.13208	11.0
176.84406	9.2
177.12747	33.5
186.48586	9.1
259.20627	9.8
269.17468	100.0
277.21762	13.6
351.25473	13.7
369.26190	12.2
405.14703	19.1
405.22717	78.9
405.34787	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	405.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.9
55.05513	6.8
57.03443	13.2
57.06828	1.5
57.07085	33.1
67.05506	12.5
68.00392	1.2
69.03417	1.2
69.07066	7.4
71.04997	1.6
71.08635	39.4
79.05512	14.0
81.03408	2.3
81.07062	20.4
83.08614	7.1
88.38885	1.3
91.05479	17.5
93.07038	23.4
95.04967	1.7
95.08611	20.3
97.06566	4.0
97.10195	1.3
99.08099	2.5
105.07040	28.0
105.46057	0.9
107.04986	1.6
107.08598	22.8
109.06524	4.8
109.10157	9.1
111.08089	1.8
117.07014	9.3
119.08576	23.9
121.10157	15.4
123.08042	2.6
129.07016	2.8
131.08586	15.2
133.10126	22.6
134.73187	1.1
135.08018	2.2
135.11691	5.5
136.27486	1.3
137.09598	1.4
137.38522	1.1
143.08583	5.8
145.10115	16.4
147.11671	17.2
149.09612	10.7
149.13261	1.9
155.08591	1.3
157.10139	4.6
159.11705	21.4
161.13240	9.4
163.11160	2.8
169.10098	4.7
171.11655	4.8
173.13216	11.3
175.14799	1.9
183.11665	4.8
185.13263	20.6
193.04686	1.1
197.13307	1.3
199.14822	1.1
200.80226	1.5
201.16412	8.0
203.14389	10.2
219.15366	2.1
219.17456	49.0
221.15370	7.4
229.19537	1.4
239.17944	8.9
257.18985	19.3
275.20062	100.0
293.21130	17.4
300.40405	1.2
322.07202	1.2
333.27902	2.8
369.24008	1.6
387.25299	3.8
387.27890	1.3
387.32559	21.2
405.26376	15.6
405.33707	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	405.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16961	1.4
51.31382	1.4
52.85711	1.4
55.05515	3.6
56.26557	1.7
57.07078	2.8
57.23914	1.4
60.57275	1.4
69.07082	16.6
80.20988	1.7
81.07060	17.0
83.08620	7.0
91.05497	1.8
93.07058	10.1
95.08610	24.4
97.10190	3.4
104.53412	1.5
105.07048	7.7
107.08611	15.8
107.10406	1.9
109.10161	27.3
111.11709	1.9
119.08578	15.4
121.10130	15.4
123.11696	7.1
129.07001	2.6
131.08578	11.1
133.10114	13.0
135.11684	8.9
137.13290	2.4
143.08556	3.6
145.10117	15.9
147.11714	10.1
149.13303	8.2
157.10173	8.2
159.11667	15.7
161.13274	9.7
163.14841	4.4
165.61258	1.9
169.10031	3.7
171.11713	11.6
173.13251	11.7
175.14833	9.2
183.11644	3.6
185.13254	24.2
186.92616	1.9
187.14761	16.5
189.16336	2.2
197.13275	2.0
199.14827	4.2
201.16408	11.5
203.17967	6.8
213.16475	6.6
215.17946	3.3
217.19537	3.3
225.16380	2.9
239.17990	3.9
241.19427	3.1
253.19627	3.4
255.21111	2.5
281.22638	2.2
293.22723	2.3
323.27295	2.3
405.35129	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54428	2.1
54.16856	1.9
65.71136	2.2
67.05537	2.5
69.07082	10.2
79.05484	3.0
81.07060	18.0
83.08640	2.7
93.07053	10.9
95.08607	27.0
97.10146	3.3
105.07040	11.7
107.08611	12.6
109.10176	22.1
119.08592	9.7
121.10128	11.2
123.11681	9.6
131.08572	2.9
133.10146	13.2
135.11700	11.0
137.13229	3.2
145.10112	10.7
147.11697	6.0
149.13261	4.5
157.10144	8.9
159.11702	10.4
161.13268	5.7
163.14862	3.4
171.11646	5.5
173.13229	10.1
175.14871	3.9
177.16388	3.8
180.49678	2.9
185.13315	9.8
187.14845	3.9
189.16344	5.2
199.14861	3.2
201.16402	2.9
203.17986	3.1
211.14690	3.8
213.16399	10.5
215.17998	10.0
227.17932	11.3
229.19441	3.5
253.33569	2.6
281.22650	3.9
352.69589	3.0
405.35101	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	405.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14786	0.9
55.05518	5.2
57.07078	2.0
61.16487	1.0
67.05499	6.9
69.07069	20.1
71.08642	1.1
79.05492	2.4
80.53418	1.0
81.07053	15.7
83.08624	6.8
91.05472	1.4
93.07043	10.4
94.75642	1.1
95.08608	21.0
97.10145	2.1
103.67487	1.0
105.07077	8.3
107.08607	17.6
109.10155	21.2
111.11743	1.1
113.00004	2.5
117.07018	1.3
119.08575	15.1
121.10141	14.8
123.11716	10.0
129.07050	1.3
131.08562	4.4
131.28406	1.0
133.10161	10.1
135.11719	8.5
137.13252	2.1
143.08560	5.0
145.10141	15.0
147.11693	9.3
149.02229	1.4
149.13263	5.8
157.10173	8.2
159.11703	11.8
161.13257	8.5
163.14796	4.5
169.02614	2.2
169.10147	3.8
171.11635	8.4
173.13242	10.3
175.14799	8.9
177.16403	2.1
183.11763	2.2
185.13222	8.3
187.14844	8.4
189.16396	4.5
191.17926	1.4
197.13231	5.4
199.14807	4.5
201.16393	9.6
203.17957	6.3
211.14815	2.3
213.16373	5.6
215.17923	5.1
217.19533	4.4
225.16393	4.4
227.17924	3.7
229.19513	4.1
229.35933	1.3
231.21188	1.3
237.16495	1.2
239.17902	5.3
241.19522	2.3
243.21004	3.9
251.17938	4.6
253.19540	7.8
255.21004	1.5
267.21060	5.4
269.22693	4.1
279.21155	1.8
281.22409	1.4
293.22531	8.2
294.23486	1.3
295.24072	5.2
321.25684	1.9
323.27524	2.1
335.27332	1.8
349.28961	2.1
405.30838	3.7
405.35162	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14672	1.6
57.07079	12.5
67.05505	8.4
69.07069	16.7
71.08629	12.0
81.07061	23.4
83.08633	4.8
83.63606	1.8
93.07041	11.3
95.08617	27.6
105.07036	4.9
107.08595	20.7
109.10163	71.2
115.48099	1.8
119.08575	17.9
121.10137	16.4
123.11716	13.3
127.11189	78.9
131.08530	3.1
133.10117	14.7
135.11716	13.4
145.10121	11.3
147.11707	12.9
149.02348	51.6
149.13258	8.4
149.45634	2.0
157.10115	2.5
159.11673	18.2
161.13301	8.8
163.14824	7.6
171.11685	8.1
173.13268	15.1
175.14813	9.9
177.16396	2.2
185.13284	2.2
187.14874	10.7
189.16333	3.5
199.14825	9.6
201.16359	4.5
204.43564	2.2
213.16414	8.5
217.19481	2.1
227.17995	10.4
241.19527	3.7
241.28337	1.9
255.21054	2.6
257.22610	2.3
267.21109	2.3
281.22531	3.4
283.24240	2.0
343.52750	2.3
405.35168	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.1
58.37273	0.8
67.05517	4.3
68.70964	0.8
69.07080	8.9
69.65394	0.9
74.06052	0.8
79.05489	1.7
81.07053	10.6
83.08594	3.7
91.05489	1.6
93.07048	5.4
95.08612	17.4
97.10151	1.3
98.68807	0.9
105.07038	5.3
107.08601	10.2
109.10154	17.9
117.07066	1.0
119.08587	6.5
121.10159	10.5
123.11723	7.1
131.08586	2.1
133.10115	7.2
135.11731	6.5
137.13274	2.0
145.10103	7.8
147.11647	6.3
149.13284	6.4
157.10130	5.7
159.11658	8.1
161.13271	9.8
163.14830	4.8
167.33263	1.0
169.10172	1.2
171.11679	5.4
173.13219	5.3
175.14806	6.4
177.16409	2.0
183.11707	2.2
185.13261	4.5
187.14815	9.3
189.16364	1.9
197.13216	1.9
199.14828	4.0
201.16397	6.4
203.17958	2.0
210.34273	0.9
211.14841	1.2
213.16400	4.0
215.17934	4.8
217.19383	0.9
227.17960	4.0
229.19514	3.4
239.18048	5.3
241.19510	5.5
251.17874	1.5
253.19434	6.4
255.20972	1.5
267.21115	5.8
269.22656	1.8
279.21133	2.2
281.22586	3.4
283.24081	1.1
284.46457	1.0
293.22784	1.4
295.24167	2.1
309.25787	3.8
321.25836	1.8
349.28833	4.1
405.35141	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.1
58.37273	0.8
67.05517	4.3
68.70964	0.8
69.07080	8.9
69.65394	0.9
74.06052	0.8
79.05489	1.7
81.07053	10.6
83.08594	3.7
91.05489	1.6
93.07048	5.4
95.08612	17.4
97.10151	1.3
98.68807	0.9
105.07038	5.3
107.08601	10.2
109.10154	17.9
117.07066	1.0
119.08587	6.5
121.10159	10.5
123.11723	7.1
131.08586	2.1
133.10115	7.2
135.11731	6.5
137.13274	2.0
145.10103	7.8
147.11647	6.3
149.13284	6.4
157.10130	5.7
159.11658	8.1
161.13271	9.8
163.14830	4.8
167.33263	1.0
169.10172	1.2
171.11679	5.4
173.13219	5.3
175.14806	6.4
177.16409	2.0
183.11707	2.2
185.13261	4.5
187.14815	9.3
189.16364	1.9
197.13216	1.9
199.14828	4.0
201.16397	6.4
203.17958	2.0
210.34273	0.9
211.14841	1.2
213.16400	4.0
215.17934	4.8
217.19383	0.9
227.17960	4.0
229.19514	3.4
239.18048	5.3
241.19510	5.5
251.17874	1.5
253.19434	6.4
255.20972	1.5
267.21115	5.8
269.22656	1.8
279.21133	2.2
281.22586	3.4
283.24081	1.1
284.46457	1.0
293.22784	1.4
295.24167	2.1
309.25787	3.8
321.25836	1.8
349.28833	4.1
405.35141	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.5
53.36086	1.2
55.01873	8.9
57.03441	2.8
61.02920	3.5
68.15879	1.4
69.03436	21.1
70.06597	3.3
71.04992	3.3
72.08150	2.4
73.02908	10.5
81.03425	25.6
84.04489	2.5
84.08145	2.7
85.02909	100.0
86.09707	6.1
87.00832	27.5
88.04057	1.5
97.02885	31.9
99.04440	22.1
103.03953	3.6
105.01875	35.3
108.04473	3.2
109.02880	80.9
110.07205	1.4
115.03908	1.8
117.51028	1.8
120.08096	3.5
126.05531	2.3
127.03922	77.6
129.01848	9.0
133.02834	6.5
141.05466	36.0
145.04974	35.1
147.02907	2.4
147.04306	1.5
148.06021	2.4
151.03865	2.9
151.25552	1.5
152.72910	1.4
159.02892	32.6
165.05466	17.3
167.07123	2.8
188.25156	1.7
189.03934	15.2
196.93550	1.4
203.07098	3.2
207.06477	17.9
231.04718	17.6
231.06938	2.7
248.07610	3.5
249.07710	20.3
335.07452	2.7
353.08694	9.3
406.12698	2.0
406.17615	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	406.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79542	0.7
55.01861	1.2
56.95176	0.7
57.03440	8.7
57.93650	0.7
58.99599	0.7
70.06597	1.1
76.02235	18.5
76.05149	1.5
84.04505	13.3
84.08145	8.7
85.06553	10.4
89.00652	1.2
89.87725	0.9
90.05560	6.9
94.35831	0.8
99.02674	5.8
116.01676	1.7
117.03719	78.1
125.04205	3.4
126.05515	21.5
127.05713	0.8
129.06622	4.8
130.05009	3.7
142.03232	3.0
142.06854	6.7
143.05266	5.6
144.06573	20.1
158.02710	22.6
160.07938	12.7
168.78560	1.0
175.05411	1.5
176.03813	8.1
187.05313	1.6
193.06424	9.1
215.04675	1.3
233.05914	4.6
241.10129	1.0
242.08330	2.2
259.11105	100.0
260.09619	3.7
277.12207	13.9
299.10437	1.0
317.11658	9.6
366.80304	1.0
406.16400	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	406.201
Annotation	Ancistrotanzanine A
Peak:m/z	Relative Intensity
57.07072	2.7
58.06583	0.7
59.66959	0.5
70.06247	0.6
70.06597	12.9
71.08627	0.9
72.08157	1.2
72.17027	0.6
84.08135	2.8
86.09689	3.4
87.04467	0.5
88.07619	1.4
89.06050	1.5
114.09191	1.6
132.10202	10.5
146.11766	10.6
176.12819	3.1
190.14326	2.6
212.23744	4.5
238.25334	4.4
256.26453	1.1
300.28955	65.1
306.11304	3.5
316.09689	3.2
317.10428	12.8
320.09177	11.5
330.11237	4.5
334.10654	7.5
335.11523	19.1
344.31570	29.5
348.12341	12.7
362.13852	2.5
374.17651	7.7
376.15363	6.4
391.17758	1.0
406.20145	67.6
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	406.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05534	0.6
56.05042	4.1
58.04100	0.7
58.06610	0.9
58.82570	0.4
60.05665	0.8
61.04052	2.1
67.05489	1.9
69.04550	0.9
69.85780	0.5
70.06595	0.8
72.04520	12.6
72.08170	0.7
73.04861	2.5
74.02435	1.1
74.06085	6.8
75.06420	0.9
76.05133	27.8
76.69845	0.5
77.04838	1.2
77.05457	1.2
79.05520	0.7
80.05010	1.1
81.03421	5.4
81.05370	0.9
81.07067	1.1
82.03766	1.0
82.55376	0.5
83.08624	2.7
84.08132	0.6
84.08948	0.6
86.09702	2.0
91.05473	0.7
92.05772	0.6
92.81596	0.6
94.07417	0.6
95.04963	1.2
96.05650	4.5
97.05918	0.9
102.05544	2.1
103.17577	0.5
103.31531	0.5
105.07057	0.6
106.07465	0.6
111.32369	0.4
114.06673	3.2
116.08193	2.2
117.06597	1.2
118.05025	16.5
119.05363	4.5
119.08581	0.8
120.06589	5.4
120.08939	1.0
121.06903	0.9
121.10136	0.9
122.10490	0.6
129.06975	0.7
129.21049	0.5
131.09323	1.1
132.08888	0.8
133.10172	0.6
135.07646	7.8
136.08005	1.1
136.54213	0.6
147.11671	0.6
148.12108	0.6
149.09641	0.7
156.11389	0.8
157.11592	1.0
158.10481	0.8
159.08759	1.9
160.07178	17.9
161.07608	5.7
176.11536	1.2
177.09830	19.6
178.10233	7.0
193.12312	4.3
194.12602	5.2
210.14922	0.8
211.13313	2.8
211.15163	0.9
212.13672	4.6
226.16365	1.3
228.14290	1.3
233.14783	0.7
269.17062	0.8
286.17780	0.9
287.17902	5.0
305.18988	1.1
346.11670	1.4
353.19016	0.7
362.15155	2.7
371.20059	0.9
388.22775	20.2
389.20895	0.6
406.23798	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73315	1.4
55.05515	2.1
58.06605	1.9
61.80813	1.4
62.46961	1.5
65.53124	1.7
67.21097	1.7
69.03433	10.3
69.07066	4.0
72.08172	1.8
81.07067	2.7
83.08619	2.2
85.02890	3.2
86.09692	4.3
91.05489	2.9
95.08616	10.9
105.07041	8.0
107.08608	9.9
109.10129	13.1
113.65571	1.9
119.08580	38.3
121.10136	4.1
125.09651	2.3
127.03922	1.8
130.06578	2.3
131.08565	7.9
133.10132	42.5
135.11699	4.0
137.09642	3.4
145.10133	3.6
147.11679	11.2
149.13235	3.2
158.10918	2.7
159.09122	2.8
160.09538	3.3
173.13211	12.3
175.13293	3.5
175.14818	100.0
191.14310	34.0
193.15891	8.3
209.15366	10.0
227.12677	2.1
238.50185	1.9
242.13753	1.9
259.16437	2.1
287.15884	2.7
290.05899	1.8
311.95099	1.9
406.23782	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	406.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85688	2.1
55.05515	14.2
55.99553	1.6
67.05499	2.3
69.07065	3.7
70.06594	2.7
72.86962	1.7
79.05493	2.7
81.07058	18.2
83.04979	13.7
83.08633	14.1
85.02910	19.7
85.06537	3.3
87.04478	2.6
91.05484	3.6
93.07051	10.7
95.05000	15.7
95.08611	4.9
97.02897	5.0
97.06528	8.4
99.04470	1.9
105.07047	12.2
107.08579	25.3
109.06532	32.5
109.10161	26.8
111.08083	3.8
113.05981	2.5
113.09682	2.5
115.07629	2.0
119.08575	17.6
120.76087	2.1
121.10139	26.8
123.11712	11.0
125.09665	8.7
131.08566	9.6
133.10141	61.2
135.08063	3.2
135.11713	4.3
145.04944	3.2
145.10146	4.3
147.11700	25.3
149.13264	19.0
151.11211	16.9
153.09122	9.8
163.14798	4.6
167.14316	28.9
173.13264	34.7
175.14818	56.5
191.14311	28.2
193.15862	21.0
209.15364	100.0
227.16389	16.4
281.06723	2.4
330.85901	1.9
339.55173	2.0
388.23306	8.3
406.17621	25.7
406.24203	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	406.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24592	0.8
55.05513	1.7
57.07069	1.1
57.11930	0.7
66.23709	0.8
69.07078	1.4
81.07053	1.4
83.08639	1.4
89.46770	0.8
89.53358	0.9
92.20999	1.0
94.06538	1.4
95.08603	1.8
106.06558	1.1
109.10134	1.0
122.24618	0.9
135.37485	0.8
152.07065	4.0
162.12697	7.4
163.13554	1.4
176.14371	5.1
194.11720	2.1
206.11653	1.3
208.13283	9.9
216.13953	1.6
220.13368	1.4
222.14868	5.6
234.14877	3.7
248.16396	8.6
262.14319	1.3
264.19626	1.6
278.21201	3.6
280.15463	6.1
286.21625	1.4
290.21185	6.0
292.22678	2.1
304.22717	9.4
318.20490	1.6
318.24106	1.4
336.21683	12.5
342.27917	1.1
360.28989	24.7
388.28625	4.1
406.29480	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	406.3523
Annotation	Aminopentol
Peak:m/z	Relative Intensity
56.59717	0.5
57.07066	2.5
70.06594	10.9
71.08631	0.9
72.08162	1.3
78.72038	0.5
84.08141	3.2
85.10210	0.6
86.09693	3.6
88.07639	2.2
89.06020	2.1
98.72862	0.6
98.74700	0.6
114.09146	1.4
132.10207	12.3
142.83865	0.5
146.11771	11.7
176.12846	2.2
190.14417	3.6
212.23723	4.4
238.25313	3.6
256.26248	1.3
271.54416	0.6
280.04141	0.6
296.06296	0.7
300.28958	63.8
344.31613	25.6
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	406.3525
Annotation	Aminopentol
Peak:m/z	Relative Intensity
54.81683	0.5
57.07071	3.7
58.06586	0.6
62.87241	0.6
70.06593	12.0
71.08631	1.4
71.41301	0.6
71.84859	0.5
72.08139	0.9
79.99762	0.5
81.81254	0.5
84.08134	3.4
85.96815	0.5
86.09693	2.6
88.07632	1.2
89.06041	1.0
98.77561	0.6
114.09214	1.0
132.10210	12.8
140.80437	0.6
146.11766	11.0
176.12831	2.6
190.14400	3.0
197.03735	0.7
212.23727	4.2
238.25281	3.7
256.26364	2.4
276.05441	0.6
300.28970	61.6
344.31604	27.4
345.74161	0.7
345.86417	0.6
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	406.3524
Annotation	Aminopentol
Peak:m/z	Relative Intensity
56.05034	1.2
57.07073	1.2
58.06610	6.3
60.96428	0.6
61.93702	0.5
70.06586	1.2
72.08160	2.6
84.08202	0.6
84.52926	0.6
86.06087	2.5
100.07613	1.2
113.35869	0.7
118.08643	3.0
132.10204	26.9
134.43582	0.6
148.09712	2.3
206.13913	2.5
210.13335	1.2
314.30533	61.1
334.79807	0.7
388.33884	1.0
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	407.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49358	0.8
70.06575	1.4
84.04511	1.2
86.09722	7.0
98.97589	4.8
119.93586	0.8
120.08103	13.5
130.04971	7.3
133.24757	1.0
147.07626	8.2
190.96783	1.0
219.01686	1.9
233.16566	1.4
237.02840	4.2
255.70502	1.1
293.08966	6.6
311.10483	1.0
407.13101	100.0
407.18817	5.9
407.23453	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	407.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
81.76555	0.8
110.06044	1.6
119.16472	0.7
122.06038	6.0
126.12792	1.5
136.07555	1.6
137.40225	0.7
138.05548	1.3
140.07060	9.6
154.08611	15.9
162.05487	5.9
163.07709	0.7
163.79494	0.8
172.03922	1.7
174.05467	2.9
176.07062	14.5
188.03421	1.1
190.04962	5.7
190.08687	4.0
191.18816	0.8
192.10027	1.0
194.08095	14.5
194.11771	9.5
202.04987	1.3
204.06538	16.0
220.06075	1.7
222.07655	12.9
222.11195	29.0
234.07579	11.5
236.09167	12.0
237.10213	1.6
253.09724	3.2
265.09775	4.6
268.11804	1.6
281.09091	1.1
282.09726	0.8
283.10736	28.9
284.11502	0.9
293.09055	5.9
294.07861	0.8
297.08533	0.9
297.12204	1.1
298.10028	1.2
301.11960	1.1
303.69760	0.8
310.09772	0.7
311.10233	17.1
313.11981	1.0
315.13434	9.3
325.11826	4.6
326.10257	1.6
329.11133	5.7
339.47672	0.9
340.11807	0.8
343.12885	23.5
347.08087	0.9
361.13861	2.9
375.15500	18.4
389.13248	1.0
390.15451	1.0
396.77667	0.8
407.18100	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	407.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	1.5
84.08134	0.8
85.02910	0.9
99.04476	0.7
105.90662	0.6
114.93334	0.7
137.05975	1.1
147.04413	0.7
152.79880	0.6
177.09897	0.8
187.08626	5.2
214.77454	0.7
230.09242	7.3
234.68504	0.7
245.13579	21.4
256.07187	2.6
273.09811	22.2
293.09064	1.2
319.05487	0.7
321.14505	6.7
364.15063	4.5
390.13129	0.8
407.11847	8.6
407.13760	8.3
407.19614	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	407.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	5.9
57.03423	2.2
57.07073	6.4
57.55299	1.3
59.29324	1.3
59.64696	1.3
62.71526	1.3
64.31580	1.5
67.05508	4.0
69.07069	2.2
69.22294	1.5
70.28565	1.6
71.08609	3.5
71.30740	1.7
81.07052	6.6
83.08647	2.2
88.77441	1.5
92.21130	3.8
93.07088	3.0
95.08606	8.4
97.06499	1.6
98.97585	82.1
107.08573	3.2
109.10173	5.9
113.00009	84.8
116.98627	72.6
119.08607	1.7
126.09116	1.4
133.27687	1.8
134.99661	32.8
140.00189	2.8
153.00648	2.3
154.12274	6.4
169.02600	100.0
171.14923	2.2
203.02292	2.0
213.72659	1.6
287.14261	1.6
389.19946	61.2
390.33014	2.0
407.20981	29.4
407.25735	4.2
407.36588	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	407.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21009	1.9
56.96569	5.1
57.07081	4.9
61.34569	2.1
63.91711	2.4
65.82449	2.2
66.99702	2.0
67.05511	4.0
68.03680	2.4
69.07088	3.4
71.08662	2.2
73.97646	1.9
84.66911	2.2
91.05452	2.3
95.08613	9.0
98.97591	91.8
109.10148	4.2
113.00018	40.9
116.98627	100.0
119.08568	3.2
134.99680	50.1
153.00755	4.4
154.12268	34.3
155.01091	4.8
155.51588	2.3
162.52850	2.8
169.02599	51.0
171.14917	16.6
201.92487	2.3
225.34895	2.2
276.41928	2.5
355.93063	2.4
373.16708	2.5
382.19534	2.4
389.19965	84.5
407.21042	26.9
407.27164	3.9
407.36432	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	407.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76229	3.6
67.05521	4.0
79.91206	3.1
81.07077	3.3
89.06034	4.5
109.10196	6.6
111.51114	3.4
113.00015	6.1
119.01896	3.7
141.60526	3.9
150.03857	3.6
169.02634	14.7
254.04025	3.6
267.48639	3.7
269.12289	13.7
287.13443	5.1
378.30466	3.5
389.21802	6.7
407.21848	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36635	2.3
55.42378	2.3
69.24741	2.8
81.07060	3.2
112.08681	4.3
112.99988	3.6
155.86932	3.2
169.02655	4.4
268.63025	2.7
315.04642	3.2
341.82022	3.4
407.21918	100.0
407.32822	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	407.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06947	1.0
72.15701	1.3
75.59315	1.2
81.07050	1.7
81.14008	1.1
90.63079	1.1
96.00081	1.2
127.97600	1.2
140.57034	1.1
162.21780	1.4
169.02608	2.9
262.47559	1.4
305.29169	1.4
351.18146	1.9
389.22928	9.2
396.88168	1.3
407.23907	100.0
414.87726	1.4
425.22513	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	407.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12149	1.4
64.43758	1.6
105.07043	14.8
131.43250	2.1
179.18628	1.9
218.59445	1.7
223.32204	1.8
223.59831	1.7
261.52493	1.8
313.59818	2.1
354.19174	1.9
405.66507	2.2
407.16476	3.6
407.21933	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2208
Annotation	Lincomycin
Peak:m/z	Relative Intensity
70.06597	3.4
71.04924	0.2
72.08137	0.3
84.08138	0.3
86.09698	0.2
97.02880	0.2
120.08134	1.3
126.12794	100.0
127.08669	3.1
149.47737	0.2
155.08186	1.4
162.33694	0.2
167.07094	0.2
188.99715	0.3
198.96898	0.2
211.79004	0.2
227.39400	0.2
253.11858	0.3
302.15012	0.8
327.06680	0.2
359.21750	1.7
389.21170	0.3
407.22177	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	407.221
Annotation	Lincomycin
Peak:m/z	Relative Intensity
59.03941	0.3
59.52650	0.4
97.74986	0.5
120.08090	0.5
126.12799	100.0
130.05055	0.4
147.07626	0.6
245.73618	0.4
359.21783	1.9
389.20911	0.5
407.22134	29.9
434.34515	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	407.2289
Annotation	Gln Leu Phe
Peak:m/z	Relative Intensity
53.34226	0.6
56.05030	1.1
69.07067	8.2
83.06106	45.1
83.06595	1.5
84.04510	43.4
86.09710	68.0
86.36938	0.6
91.05492	0.7
91.80961	0.7
96.04480	1.0
101.07140	15.6
103.05507	0.8
113.98581	0.6
120.08105	100.0
126.12806	4.7
128.08203	1.0
129.06604	70.6
131.04939	3.2
141.06602	5.2
149.05992	1.6
152.10695	7.0
166.08627	77.7
169.13365	18.8
180.82349	0.6
182.91896	0.8
196.14455	97.7
197.12859	52.5
209.08052	0.9
210.08456	1.0
214.15508	26.2
214.17455	1.2
224.13934	13.1
225.12236	5.1
242.14966	30.0
279.16983	1.1
297.11823	0.8
372.19104	1.0
382.15692	0.7
389.21783	53.0
390.20129	8.1
407.13892	1.2
407.22800	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	407.2403
Annotation	Lys Pro Tyr
Peak:m/z	Relative Intensity
66.55090	0.7
69.45110	0.6
74.42480	0.7
74.43524	0.7
75.40693	0.7
75.46525	0.7
76.12315	0.8
81.07051	2.8
85.64087	1.0
88.67763	0.6
95.08607	1.3
98.97588	8.3
99.08016	0.7
109.10172	1.5
116.98609	5.3
133.99341	0.7
145.98685	0.8
158.99635	7.9
173.13222	0.9
177.00706	5.1
285.43561	0.8
311.24628	0.7
321.16742	2.7
348.66922	0.9
366.18832	13.1
407.24054	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2403
Annotation	Lys Pro Tyr
Peak:m/z	Relative Intensity
66.28140	0.6
68.50373	0.5
82.96278	0.6
86.31848	0.5
150.12479	0.7
279.17371	0.6
287.42450	0.6
299.79205	0.6
368.82892	0.7
375.33182	0.8
407.24045	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
62.20616	0.6
67.05497	0.7
75.20908	0.8
81.07032	0.7
86.65239	0.7
93.09183	0.7
109.32895	0.8
140.44844	0.7
157.02972	0.6
157.04260	0.8
159.10228	0.7
162.55843	0.8
180.10117	0.8
183.00641	0.7
194.23810	0.8
336.70047	0.9
349.75769	0.7
389.22910	11.4
407.24060	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.62808	0.4
64.62683	0.4
70.06588	1.2
76.36786	0.5
97.54531	0.4
138.57664	0.4
146.11780	0.6
154.56229	0.5
225.84323	0.5
257.26608	0.7
300.29071	0.6
301.29297	7.0
309.73059	0.6
345.32031	3.4
372.99567	0.5
407.24054	100.0
407.35486	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	407.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.95416	0.7
67.05515	0.9
73.17066	0.7
77.63290	0.6
81.01743	0.7
81.07062	1.2
83.08642	0.9
100.69900	0.7
105.07000	0.7
107.08636	0.7
107.90073	0.9
108.68038	0.6
112.84935	0.8
119.08596	0.9
121.04041	1.1
121.10117	1.1
213.16501	0.8
243.51596	0.7
304.57983	0.9
407.24039	100.0
407.32999	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	407.279
Annotation	3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate
Peak:m/z	Relative Intensity
55.05510	7.0
57.07078	11.8
67.05507	7.7
69.07071	22.3
71.08633	12.6
77.36609	1.4
79.05484	3.2
81.07070	12.5
83.08620	2.0
91.05478	6.2
93.07053	7.4
95.08587	9.7
105.07030	7.6
107.08584	2.6
109.06554	1.5
111.11726	2.6
113.00029	14.7
117.07015	3.0
119.08598	6.5
129.07068	2.9
129.12798	2.9
131.08588	9.1
133.10106	7.6
135.08055	1.7
143.08565	5.6
145.10124	7.1
147.08063	1.6
147.11725	1.5
149.02344	100.0
157.10074	5.0
159.11729	2.6
167.03374	5.7
169.02588	17.9
173.13274	1.4
185.13278	2.0
189.12662	1.3
190.88156	1.5
199.11311	1.8
209.13313	2.4
315.23309	2.0
325.21533	6.3
343.22620	13.8
357.24036	2.8
375.25259	33.0
389.26736	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	407.294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05008	8.4
66.22626	7.9
67.05518	13.8
69.07050	14.4
71.04990	10.0
71.59499	9.7
73.93836	8.1
79.05502	21.1
81.07068	77.7
85.06535	38.2
91.05457	34.8
92.20954	10.9
93.07040	55.1
95.08607	42.5
105.07026	65.6
107.08639	65.7
109.06506	9.1
109.10138	33.3
111.08041	12.1
113.00002	39.7
117.06951	11.0
119.08575	100.0
121.10140	46.0
123.08057	21.2
131.08565	35.7
133.10143	46.0
135.08041	17.9
135.11705	14.1
142.07787	15.6
143.08511	32.9
145.10095	83.7
147.11597	13.0
155.08623	12.2
157.10120	76.0
158.10823	9.4
159.11726	54.8
169.02599	33.0
169.10127	41.5
171.11629	12.4
173.13290	14.6
175.11194	36.7
175.14789	10.8
183.11685	15.3
185.13263	9.6
197.13245	13.5
200.80296	9.6
201.16449	11.3
206.10980	10.2
232.30446	9.3
235.14804	12.6
275.30841	8.9
283.35892	13.1
407.29291	34.7
407.33780	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	407.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	7.7
57.03454	1.1
67.05511	20.8
69.07063	10.5
71.05000	2.1
79.05501	12.4
81.07059	31.8
83.04949	1.4
83.08598	9.9
85.06562	2.3
91.04986	1.5
91.05463	13.5
93.07040	25.7
95.04931	1.9
95.08615	26.6
97.06499	2.3
97.10152	5.0
99.08073	1.8
99.89195	1.5
100.07634	1.7
105.07038	32.2
107.08581	19.3
109.10145	13.2
111.08067	2.5
117.07004	8.8
118.77989	1.2
119.08583	23.8
121.03964	3.1
121.10139	20.3
123.08041	2.7
125.09643	2.2
126.41022	1.6
129.06989	9.0
131.08571	32.1
133.10118	20.7
135.08057	2.3
135.11713	11.3
137.09642	7.3
139.11221	2.1
141.06966	2.6
143.08537	11.0
145.10124	23.3
147.11674	8.5
149.09567	5.6
149.13246	2.0
151.11148	2.1
154.12234	1.8
155.08566	8.3
155.10661	1.6
157.10123	15.0
159.11684	11.2
161.13255	7.5
163.11195	2.1
169.10150	6.7
171.11681	11.5
173.11916	1.6
173.13263	8.9
181.10031	1.9
183.11693	8.1
185.13223	10.9
187.14778	6.5
197.13255	7.4
199.14743	6.0
201.16365	2.6
211.14766	6.2
213.16304	2.7
215.14365	1.7
215.18011	1.4
239.17880	2.0
243.17479	1.6
257.18927	3.2
260.20227	1.7
273.18542	1.9
327.26740	5.1
337.25165	19.4
354.28024	12.7
355.26285	25.3
372.28931	35.9
373.27448	10.2
389.31497	8.9
390.29892	19.2
407.24365	21.9
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	408.1798
Annotation	MK-2206
Peak:m/z	Relative Intensity
54.28659	1.4
55.05519	16.2
58.99592	3.2
70.06594	2.7
76.02217	3.7
83.08624	44.4
84.04507	18.1
86.99039	1.8
101.09637	2.0
116.01672	50.6
126.12795	38.0
127.13135	19.0
129.06619	3.7
130.05016	3.7
142.03200	3.7
144.01141	34.8
145.06091	2.3
159.08395	34.6
162.02194	100.0
176.11052	1.7
176.66641	1.7
179.79254	1.5
188.58200	1.7
262.11111	34.2
274.80090	1.6
279.13721	31.5
333.14835	11.8
351.62601	1.6
408.17676	26.1
408.22318	18.8
415.03516	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	408.1799
Annotation	MK-2206
Peak:m/z	Relative Intensity
55.05523	17.7
58.99593	5.0
75.26067	0.8
76.02221	3.6
76.03989	1.7
83.08128	1.7
83.08625	54.0
84.04514	16.1
86.09698	2.2
86.99059	4.6
88.02171	0.9
98.77840	1.1
101.09669	1.8
115.05793	0.9
116.01683	45.5
120.08104	2.2
126.12798	39.5
127.13147	30.7
129.06583	4.7
129.07417	0.9
130.05008	6.0
142.03233	5.0
144.01158	39.5
145.06104	1.2
159.08397	45.7
162.02203	100.0
170.02751	1.6
176.11081	4.5
199.07066	0.8
210.76999	0.9
245.05997	1.1
262.11081	29.7
279.13745	42.6
333.14890	7.6
360.22119	1.1
408.17813	28.5
408.22525	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	408.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.8
55.41101	0.6
69.03439	1.1
70.06599	2.7
72.08138	0.7
73.02902	0.7
79.05507	1.6
81.03439	1.3
81.07063	1.4
83.04984	4.7
83.08630	1.0
84.08171	4.9
85.02901	5.3
85.08454	0.7
86.09711	43.7
87.00829	1.5
91.05476	1.1
97.02914	1.3
99.04456	1.4
105.01868	1.5
107.08600	61.5
109.02882	2.8
110.07190	0.7
120.08099	16.5
125.09636	100.0
127.03892	5.2
129.10245	3.9
131.68759	0.7
133.10120	1.0
136.07544	1.0
145.04965	1.1
153.05447	9.2
159.02901	1.3
195.02078	0.7
199.13748	0.7
199.18106	6.2
222.11327	1.0
227.17487	6.9
233.16457	3.2
236.16522	0.8
261.16034	3.6
287.09164	2.9
295.12924	0.9
344.13452	0.9
408.18182	11.2
408.26834	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	408.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85419	0.6
52.91778	0.6
59.87912	0.7
64.94714	0.9
69.03455	0.8
69.50837	0.6
70.06606	1.1
75.74594	0.8
84.04512	19.7
84.04971	1.3
85.02935	1.0
86.09713	67.0
93.07080	0.8
99.22243	0.7
102.05556	19.4
103.05447	0.9
120.08109	100.0
129.06610	4.5
132.09181	0.9
132.10213	27.6
133.10063	0.8
136.06180	3.8
136.07608	5.7
138.24191	0.8
141.06609	3.4
144.06558	0.8
166.08644	22.6
170.11754	3.1
186.09143	9.7
187.95813	0.7
197.12868	9.0
203.11652	0.9
204.10197	5.2
205.53662	0.7
215.13943	14.6
225.12343	4.0
231.11307	16.6
243.13402	9.6
249.12308	12.3
259.10764	7.4
277.11987	6.6
279.17160	3.1
344.19843	0.9
372.19168	1.0
390.20190	9.4
408.21548	8.6
424.45721	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	408.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97142	1.3
57.06860	1.9
57.07085	27.9
64.79150	1.8
69.07066	1.9
71.08639	25.4
73.06582	1.5
73.28613	1.5
83.08628	1.7
85.10177	21.9
89.06033	93.6
97.10202	2.4
107.07075	2.5
116.17290	1.7
133.08589	19.2
139.73756	1.9
177.11192	3.1
195.12270	22.4
213.50797	1.6
218.54158	1.7
268.95612	1.6
284.56821	2.0
391.34183	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
84.08128	3.9
85.02879	1.4
112.05080	4.0
121.40778	1.0
140.95044	0.9
146.09169	1.1
195.17804	0.8
218.99394	1.1
220.02388	1.0
340.80240	1.0
349.09677	1.5
409.11047	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.27185	0.6
62.42986	0.6
70.06583	2.5
72.08160	5.6
73.01094	0.6
75.01519	0.7
76.43191	0.6
84.04494	1.5
84.08139	2.6
85.04012	1.4
85.71226	0.6
86.09702	9.8
87.05601	0.9
87.10036	0.8
91.05492	1.0
102.05531	0.8
107.14644	0.7
113.28166	0.6
115.57334	0.6
120.08099	7.2
121.08453	1.2
126.12794	11.2
127.13165	0.8
129.10242	4.6
136.07571	13.1
145.02864	4.0
146.06067	1.1
147.04478	1.0
148.06030	1.3
148.75255	0.6
160.07341	0.6
166.08623	1.0
172.28587	0.6
177.05453	5.0
187.10791	4.6
191.08211	0.8
212.09309	0.8
233.06300	7.2
233.09001	1.2
234.12367	1.0
246.05029	1.0
247.05736	5.2
250.11876	1.3
262.16104	0.7
278.11298	4.3
283.44644	0.7
391.10928	1.0
404.23999	0.7
409.11047	100.0
409.20667	4.3
409.21649	3.9
415.93542	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23030	0.8
60.05650	1.1
62.30932	0.9
63.24533	0.8
70.06602	5.2
72.08203	0.9
74.06070	1.5
82.14317	0.9
84.04559	1.1
84.08154	5.5
86.09712	5.9
90.52564	1.0
96.05686	1.2
102.05600	1.0
114.89644	0.9
120.08126	3.5
123.08105	1.1
129.10252	1.9
134.08070	1.0
136.07596	6.3
147.04446	3.3
166.95819	1.0
168.95805	1.1
171.26097	1.0
181.91104	1.0
185.04306	1.8
216.97968	3.9
234.99001	56.8
246.05019	1.2
247.06036	1.4
253.00067	3.9
254.93109	0.9
303.05310	14.9
349.05804	14.5
391.09406	1.2
409.11102	100.0
409.16748	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	409.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95037	0.9
54.49149	0.9
54.60693	0.9
55.59549	1.0
62.48154	1.2
82.80383	1.1
84.08159	6.6
86.25325	1.1
86.37766	1.2
104.65049	1.0
129.12703	1.1
143.01866	1.1
146.53677	1.1
150.84521	1.2
211.25092	1.1
349.11804	1.6
409.11105	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97902	0.6
63.44471	0.6
67.05497	0.9
69.07108	2.4
70.06590	1.7
72.08159	1.8
73.94665	0.7
84.08153	1.3
86.09715	5.3
87.10004	1.1
87.52470	0.9
94.06571	3.9
107.08572	1.3
108.04474	1.0
108.08919	1.6
110.06045	0.9
112.07574	1.3
120.08108	5.9
122.06031	20.9
125.09615	3.4
126.09962	4.5
129.10263	1.6
134.53181	0.8
136.03960	1.6
136.07585	1.0
138.05437	1.0
140.07066	26.9
145.89882	0.8
146.82339	0.8
154.04996	100.0
154.08574	12.0
159.11246	1.7
178.04987	67.4
197.61609	0.8
206.04488	71.4
207.11423	1.3
210.07625	3.3
224.05544	1.0
238.07098	55.7
251.44250	0.8
275.10223	1.5
293.11246	3.8
345.10760	4.8
377.13443	9.0
409.11270	4.2
409.18484	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	409.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
60.63208	0.7
69.07079	1.7
70.06601	1.0
71.50339	0.7
72.70941	0.7
75.95643	0.7
86.09737	3.2
94.06581	4.1
110.06063	1.5
112.07622	1.8
120.08136	1.8
121.08490	1.5
122.06019	29.0
123.06860	0.9
124.07629	1.0
125.86429	0.8
129.10327	1.0
133.10097	1.1
134.10484	1.0
136.03937	1.2
136.07576	6.1
139.16139	0.7
140.07065	42.8
141.07889	1.0
142.08678	1.3
151.11259	1.5
154.04988	58.1
154.08606	10.2
166.35168	0.8
178.04994	44.1
203.05363	0.8
205.03798	3.9
206.04478	49.6
210.07709	1.1
212.13756	1.4
222.03964	24.2
223.04764	1.8
230.14740	1.3
235.73923	0.8
236.05449	7.4
238.07083	31.7
238.09380	1.3
244.09717	1.1
250.11761	1.3
258.04047	0.9
272.09290	4.3
289.11832	1.1
293.11325	2.7
300.08667	13.9
309.08954	0.9
317.11499	1.7
318.09698	9.3
327.09842	8.0
328.08264	1.3
332.11401	3.4
345.10779	25.4
363.11880	6.6
377.13416	35.3
409.18460	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	409.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53222	0.4
82.00770	0.5
95.08621	1.0
109.10218	0.5
112.74158	0.5
237.96243	0.4
288.20633	0.5
289.10660	0.6
400.95737	0.5
409.16220	100.0
409.28763	1.9
409.34830	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	409.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63628	0.8
53.12498	0.7
54.38788	0.8
63.85542	0.8
69.07087	1.0
80.68443	1.0
81.07067	1.2
89.74525	0.9
95.08620	1.7
99.86356	1.0
107.08606	1.6
109.10181	1.4
119.08642	1.7
121.10163	1.8
127.01759	0.9
182.15515	1.1
205.16087	1.2
205.57556	1.0
275.73206	1.1
289.10489	3.4
373.23331	1.5
409.16229	100.0
409.25415	44.0
409.34500	6.3
412.04617	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	409.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09047	0.9
55.07133	0.9
62.22927	0.9
66.39282	0.9
69.07065	2.1
72.19476	0.9
85.02901	1.9
86.09673	1.0
103.03956	1.6
114.09196	1.1
121.10176	1.0
122.23440	1.1
127.03899	2.8
221.60065	1.2
356.84854	1.2
408.78946	1.6
409.16205	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
61.52402	0.7
63.60701	0.7
63.79402	0.6
65.71269	0.6
68.57866	0.7
69.07085	1.1
81.07054	1.5
87.58855	0.7
93.07018	1.3
95.08620	4.3
105.07037	1.4
107.08603	1.6
109.10188	1.8
119.08596	1.0
121.10160	1.8
123.11729	1.1
128.75229	0.7
131.08572	0.9
133.10115	1.7
135.11687	2.5
139.04982	0.7
145.10124	1.3
147.11734	0.9
173.13266	0.9
187.15086	0.9
274.69376	0.8
301.25220	1.2
311.23663	1.6
328.26434	1.8
329.24832	4.2
339.23428	1.0
346.27319	1.6
347.25757	3.0
357.24417	3.0
375.25183	1.4
392.27893	13.9
409.16226	100.0
409.25452	17.3
409.30685	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	409.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64777	0.3
57.87696	0.3
59.99530	0.3
64.60965	0.3
69.07041	0.5
69.73137	0.3
70.06601	0.9
80.44060	0.3
84.08177	0.4
107.08591	0.7
107.75722	0.4
113.89500	0.3
122.06065	1.5
140.07079	2.0
154.04982	2.3
178.05003	2.2
203.05351	0.7
206.04520	2.2
208.09744	0.5
212.66112	0.4
220.05969	0.4
229.74022	0.4
235.96954	0.4
238.07138	1.6
259.07095	0.5
262.21097	0.4
296.65790	0.4
313.24530	0.4
331.09363	2.2
345.10730	0.7
349.10010	0.5
374.09924	0.5
377.13385	1.4
392.10898	2.1
409.18344	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75488	0.5
64.43760	0.6
70.06598	0.7
71.42215	0.5
80.30050	0.5
84.31289	0.6
86.09718	1.0
90.59541	0.5
91.45939	0.5
91.94350	0.7
94.06573	0.9
113.62003	0.7
120.08092	0.7
122.06014	7.9
133.10068	0.7
134.10548	1.0
136.07555	1.0
140.07071	10.8
154.04991	16.8
154.08644	2.4
178.04973	10.9
183.38329	0.6
184.40997	0.6
204.72664	0.7
205.03677	0.8
205.17104	0.6
206.04492	14.2
212.13612	0.8
222.03954	8.3
236.05502	2.4
238.07048	7.8
272.09045	0.9
300.08774	3.9
318.09866	2.8
327.09821	2.5
332.11499	0.8
345.10742	7.3
363.11966	1.1
376.88510	0.6
377.13373	9.7
409.18372	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	409.1834
Annotation	6alpha-methylprednisolone
Peak:m/z	Relative Intensity
56.75222	0.5
70.06586	1.5
72.08163	1.3
82.80796	0.8
84.08166	0.7
86.09691	3.2
91.05495	0.8
100.82404	0.7
120.08103	0.8
136.07594	8.9
145.60938	0.6
146.95361	0.6
150.40398	0.7
152.78381	0.7
173.09549	0.7
179.28093	0.7
250.21303	0.7
278.11258	1.4
313.08301	0.9
329.10217	0.7
331.09073	0.9
373.57526	0.7
409.11948	3.6
409.18298	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1856
Annotation	Vernoflexuoside
Peak:m/z	Relative Intensity
55.05533	2.5
60.73756	1.9
67.05515	3.4
68.67729	2.4
69.03429	27.1
69.07727	2.0
70.06593	5.2
72.08167	17.7
75.21606	2.1
81.03416	5.0
81.07067	9.0
83.06109	2.4
84.04507	4.7
84.08131	3.4
85.02914	10.9
86.09701	11.5
87.05563	2.8
88.04000	3.4
91.05473	2.8
93.07050	24.1
95.04976	29.1
95.08588	4.8
97.02898	11.2
100.19006	2.6
102.05542	10.8
105.07049	18.2
107.08614	3.4
109.02943	2.5
109.06528	28.4
111.04411	4.5
119.08576	21.4
120.08109	59.4
121.02816	2.7
121.06514	12.1
121.10188	3.0
123.08063	3.8
127.03922	5.8
129.10217	3.5
131.08574	4.5
132.10245	2.5
133.06454	2.4
133.10120	5.1
135.08075	4.5
136.07568	12.6
137.05992	4.8
143.08617	3.9
145.06422	2.3
145.10133	16.5
147.08029	4.7
147.11758	3.6
149.09607	3.3
151.07573	3.1
154.08623	3.1
157.10144	15.1
159.08038	10.6
159.11696	13.0
161.04320	3.6
161.09595	32.7
163.07568	4.7
163.11223	2.6
166.07234	14.9
166.08653	13.3
171.11690	2.5
173.09682	9.5
173.13246	4.1
175.07518	10.7
175.11195	15.0
183.11685	3.9
187.11168	4.3
189.09114	14.6
193.09843	4.9
199.11537	2.8
201.12772	13.8
203.10645	14.0
205.12244	3.4
211.11266	4.7
219.13879	9.7
229.12245	11.7
244.09528	2.7
247.13266	100.0
265.14304	10.6
273.11365	4.0
314.61536	2.7
333.13303	14.1
391.17108	15.2
409.18585	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	409.1866
Annotation	Vernoflexuoside
Peak:m/z	Relative Intensity
51.50706	0.6
57.90079	0.7
70.06592	3.1
72.08147	1.1
86.09706	1.0
89.86818	0.8
91.05442	1.1
114.27549	0.8
118.06548	4.7
120.08117	0.9
132.08092	1.8
133.06828	0.8
136.07581	5.8
144.08101	9.4
146.06010	42.2
146.07178	1.4
148.47383	0.8
159.09207	5.4
170.05992	1.4
175.90939	0.8
188.07074	100.0
189.07411	0.8
205.09727	36.9
213.12280	0.9
239.76584	0.8
277.15350	0.8
309.03384	0.8
400.89841	0.9
408.70514	0.9
409.14606	1.7
409.24570	0.9
430.08566	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	409.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48512	3.7
52.65553	3.4
56.14559	3.6
56.96562	5.7
67.05511	4.9
81.07053	7.0
84.25775	3.8
98.97579	100.0
115.71236	3.9
116.98616	84.4
131.43979	4.2
134.99652	44.7
139.31702	4.5
140.48311	4.1
201.77783	4.3
269.62982	4.3
271.08438	4.3
391.21442	77.4
409.22571	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	409.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
61.54411	0.9
62.60144	1.0
65.41761	0.9
71.47675	1.4
111.99944	1.2
118.22939	1.2
156.03986	1.6
169.04688	2.6
281.13608	5.3
291.15561	1.9
293.17239	1.6
309.16675	1.7
321.16714	100.0
391.24533	12.1
392.25302	2.9
409.20706	1.7
409.25684	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	409.256
Annotation	Lys Val Tyr
Peak:m/z	Relative Intensity
61.07882	0.5
67.05495	0.6
79.21416	0.4
81.07079	0.5
95.08633	0.7
108.79635	0.5
119.08577	0.6
134.08875	0.5
196.17027	1.9
222.69348	0.5
285.63065	0.6
409.16354	8.3
409.25629	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2557
Annotation	Val Lys Tyr
Peak:m/z	Relative Intensity
51.73512	0.3
66.42869	0.4
67.42288	0.4
74.44820	0.5
85.41149	0.4
87.85551	0.5
92.20970	0.5
110.45431	0.4
114.93806	0.4
139.40146	0.5
176.05893	0.4
243.54057	0.5
295.14966	0.6
409.25583	100.0
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	Lys Val Tyr
Peak:m/z	Relative Intensity
67.66607	0.7
73.81306	0.7
128.36815	0.6
132.52574	0.6
136.16524	0.7
211.29430	0.8
282.16895	0.7
337.61710	1.0
384.18445	0.7
409.25626	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
63.85896	0.5
66.81350	0.5
70.17867	0.5
71.31580	0.5
82.01902	0.5
108.48100	0.5
165.09071	0.5
209.17107	0.6
409.25577	100.0
415.79547	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72913	2.6
54.85732	3.0
55.05515	19.0
59.75511	3.5
67.05500	17.7
69.03419	5.3
69.07059	6.3
70.76025	3.3
72.67229	3.5
79.05489	20.1
81.07065	40.4
83.08639	4.8
91.05451	24.6
93.07046	53.1
95.04962	48.2
95.08601	32.5
97.06531	6.1
97.10095	4.3
102.07468	3.1
105.07035	85.7
107.08606	34.4
109.06528	18.4
109.10191	17.3
111.36773	3.9
117.07005	14.0
119.08591	63.2
121.06505	14.8
121.10129	30.9
123.08045	7.0
129.07028	3.4
131.08600	24.3
133.10123	26.7
134.27621	3.3
135.08064	16.0
135.11694	4.0
137.09595	3.8
142.07770	7.3
143.08537	19.4
144.09360	3.4
145.10130	51.4
147.08028	16.8
147.11671	49.4
149.09659	5.4
151.07539	18.1
156.09407	5.1
157.10141	23.5
159.08070	5.5
159.11720	18.8
161.09601	6.3
163.11279	3.8
165.09120	23.6
169.10127	8.0
171.11639	6.9
173.09624	6.1
173.13229	5.6
175.11160	25.7
181.10146	4.7
183.11665	6.9
187.11224	4.0
189.12714	5.0
195.11800	4.7
197.13266	6.9
201.12776	7.7
203.14313	6.7
207.13797	5.1
209.13220	6.5
221.13446	5.9
221.15393	46.8
234.16171	5.6
253.15758	5.8
301.29187	6.0
302.29559	4.9
303.29752	12.8
329.21091	4.2
349.43704	4.2
391.26434	10.6
392.31934	4.9
409.27502	100.0
409.35226	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	409.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49336	1.5
55.05521	3.3
58.81408	1.9
62.24356	1.9
67.05497	11.1
69.07077	2.8
79.05490	2.3
81.07059	15.1
83.08625	3.9
84.51059	2.1
87.71191	2.2
88.66663	1.7
93.07051	4.6
93.07635	2.0
95.08602	17.4
95.09113	2.5
105.07039	2.8
107.08605	10.2
109.06522	3.1
109.10134	10.4
116.88216	2.3
117.06995	2.8
119.08577	9.4
121.10134	10.4
131.08585	3.6
133.10141	11.9
135.11696	9.3
137.13165	2.4
138.12758	3.4
145.10133	2.8
147.08028	2.5
147.11679	4.4
149.13336	3.5
159.11664	2.8
161.13313	2.5
171.11676	3.1
173.13266	2.4
199.14845	2.4
225.16362	2.7
236.43121	1.9
275.58597	2.2
300.26859	4.3
301.25226	7.9
310.25388	3.2
311.23740	9.5
328.26385	19.9
329.24774	26.0
339.23203	4.1
346.27484	4.9
347.25830	16.2
357.24179	10.8
375.25266	9.7
392.27917	81.5
409.11118	3.8
409.16235	72.9
409.25372	26.0
409.30505	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	409.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	7.3
57.07096	1.6
59.05068	1.5
63.75504	1.6
63.77276	1.4
64.56186	1.5
65.92033	1.5
66.11596	1.5
66.99091	1.5
67.05508	21.4
67.57021	1.4
69.07069	10.6
79.05496	12.1
81.07056	33.8
83.08619	6.4
85.06534	1.9
91.05472	9.1
93.07044	22.9
95.05021	1.8
95.08604	40.1
97.06538	2.8
97.10178	7.1
102.47993	1.6
105.07026	18.7
107.08580	20.8
109.10134	18.8
115.97277	1.8
117.07001	2.8
119.08550	18.3
121.10119	24.2
123.11714	4.2
131.08536	12.8
133.10127	14.0
135.11687	14.9
143.08545	3.9
145.10127	16.0
147.11681	4.0
149.13249	4.1
157.10046	1.8
159.11670	9.6
161.13330	3.8
163.11043	2.5
163.14787	2.0
171.11627	6.9
173.13261	4.0
185.13228	7.1
187.14896	1.9
199.14751	2.6
201.16391	3.0
207.17302	1.7
213.16382	3.0
246.57974	1.7
249.18442	2.3
273.22180	2.3
281.21893	1.7
295.52350	1.8
329.28287	3.2
339.26880	9.9
346.44019	2.0
347.29300	2.2
356.29373	14.0
357.27972	18.7
374.30493	39.2
375.28922	13.8
391.33252	9.8
392.31546	37.0
409.28384	3.3
409.34280	100.0
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
53.27134	1.5
55.05510	2.2
58.45282	1.6
67.05508	18.1
69.07073	3.9
74.11098	1.6
79.05492	8.3
81.07066	35.9
83.08613	8.3
87.73358	2.0
91.05495	3.3
91.06022	1.5
93.07076	12.7
95.08611	36.4
97.06524	3.8
97.10189	2.2
105.07047	11.5
107.08599	14.9
109.10165	16.2
117.07055	2.0
118.97978	1.7
119.08574	18.1
121.10126	16.9
131.08566	11.1
133.10147	11.5
135.11702	15.2
145.10153	12.7
147.11703	7.9
149.13275	2.0
157.10133	2.6
159.11707	3.4
173.13225	2.5
185.13390	3.4
199.14870	3.3
241.59515	2.0
339.26761	7.8
356.29556	10.6
357.27878	21.5
374.30533	30.8
375.28922	10.5
391.33142	6.6
392.31613	24.7
409.34238	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	5.9
59.37677	1.1
67.05508	15.4
69.07062	10.5
71.11869	1.2
79.05518	10.3
81.07063	36.9
83.04982	1.4
83.08627	10.8
91.05458	5.9
91.90483	1.3
92.20953	1.5
93.07043	18.9
95.08611	30.5
97.06548	1.4
97.10177	6.7
100.07636	1.4
103.64065	1.4
104.72655	1.4
105.07022	12.7
107.08595	25.7
109.10151	16.5
117.07006	3.2
119.08579	17.5
121.10151	20.5
123.08042	1.8
123.11698	2.7
123.65800	1.4
131.08560	12.5
133.10143	12.1
135.07982	1.8
135.11665	18.4
137.09602	2.0
143.08585	2.6
145.10126	15.1
147.11671	7.7
149.13258	7.4
157.10089	4.3
159.11674	9.3
161.09563	1.9
161.13226	5.2
161.96738	1.3
163.11203	1.5
163.14925	1.9
171.11702	6.7
173.13231	6.5
175.14870	2.3
185.13271	6.3
187.14867	2.0
189.12781	1.8
199.14807	1.9
201.16371	1.5
248.20009	1.6
259.20599	2.7
269.27042	1.4
277.21341	1.9
292.31006	1.5
329.28320	3.0
339.26871	11.0
356.29410	12.9
357.27856	27.8
374.30508	37.9
375.28833	19.2
391.33136	8.5
392.31552	31.3
409.25037	6.8
409.34216	100.0
411.11786	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	409.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37321	2.4
54.64291	1.9
55.05508	4.6
59.57681	2.1
67.05501	21.7
67.57710	1.8
69.07068	12.2
79.05506	17.6
81.07057	32.1
83.08621	11.2
91.05448	4.2
93.07041	25.9
95.08606	42.7
105.07053	20.5
107.08598	20.9
109.10141	21.4
117.06995	2.6
119.08585	11.7
121.10130	28.5
123.11698	2.6
131.08551	11.9
133.10135	13.3
135.11668	21.4
137.13306	3.5
143.08594	2.6
145.10129	15.7
147.11662	11.0
149.09674	3.2
149.13274	10.2
159.11691	15.2
161.13231	2.7
163.11176	5.1
171.11763	5.4
173.13232	3.8
185.13306	2.8
329.28323	10.6
339.26752	5.5
356.29385	5.4
357.27808	42.4
374.30536	33.2
375.28848	12.7
392.31525	35.2
409.29593	6.7
409.34259	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	409.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	4.9
56.00778	1.0
57.07067	7.1
57.65230	0.9
67.05500	12.3
69.07073	14.6
69.57497	1.0
71.08628	16.4
79.05482	2.1
81.07059	62.8
83.08614	7.3
83.68692	1.0
90.20734	1.1
91.05489	1.9
93.07027	11.3
95.08607	100.0
97.10171	4.5
99.08070	4.7
99.36219	1.0
105.07018	6.1
107.08603	17.9
109.10159	39.0
119.08615	8.8
121.10136	20.7
123.11696	19.1
126.39155	1.2
131.08553	1.7
133.10133	9.6
134.90491	1.4
135.11691	17.5
137.13255	79.2
145.10083	1.9
147.11644	8.2
149.13234	16.4
151.14822	5.7
159.11642	2.2
161.13223	8.1
163.14815	9.6
165.16290	1.1
173.13216	3.9
175.14819	9.0
177.16350	7.9
187.14879	1.8
189.16418	7.2
191.17926	6.6
193.19574	2.3
203.17943	7.6
205.19550	1.9
215.17874	7.0
217.19508	6.5
229.19502	6.9
231.21019	5.3
232.73015	1.3
257.22614	9.5
259.24185	12.5
271.24167	7.2
285.25702	2.2
377.30582	1.5
391.32010	7.7
409.33121	9.9
409.38217	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	410.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
69.26086	0.2
69.51871	0.2
70.06594	100.0
85.02905	0.4
92.21587	0.2
93.43140	0.2
103.05420	0.2
104.71091	0.2
105.01871	0.2
107.12988	0.2
120.08101	35.9
140.07048	0.2
148.07590	0.4
166.08627	3.0
173.79704	0.2
217.13351	18.2
221.62106	0.2
245.12830	20.2
263.13962	0.2
286.99637	0.2
313.15448	5.6
392.19604	0.3
395.68741	0.2
410.20743	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	410.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52145	1.7
56.67884	1.8
57.03439	3.5
57.07076	2.2
67.99640	2.0
69.03429	10.7
81.03415	4.7
85.02921	19.9
92.21064	7.4
97.02882	13.0
99.04459	4.0
101.02386	45.4
101.58569	1.9
109.02894	11.2
119.03417	100.0
127.03911	27.0
141.98395	2.0
145.04953	9.5
157.10077	3.5
169.16341	2.3
173.04404	2.3
213.16315	8.3
245.06541	8.9
263.07626	11.9
353.23981	2.2
410.16135	4.1
410.25476	11.2
410.29907	3.5
417.62885	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	410.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30622	1.4
55.05495	2.0
57.07079	7.9
67.05515	7.0
69.07056	7.5
71.04991	1.8
71.08641	17.5
79.05502	10.0
81.03434	1.7
81.07073	6.4
83.04999	2.4
85.02914	8.7
85.10191	45.3
93.07057	12.3
95.08607	11.6
97.06544	3.0
99.08104	30.4
100.68427	1.9
107.08592	8.2
109.37078	2.0
113.06023	2.3
113.09648	100.0
113.10452	3.3
114.09154	10.6
115.32819	1.6
121.06536	1.8
121.10145	3.3
125.05926	2.7
135.11688	21.5
141.43573	1.7
149.13264	24.0
151.11188	16.2
156.26010	1.7
158.82199	1.8
167.14297	18.2
177.12741	10.2
195.13841	27.8
213.14856	44.0
231.15912	50.3
237.10103	1.7
239.96927	1.8
303.25494	2.0
336.12439	11.7
361.53018	1.9
392.14743	1.8
393.21127	1.8
410.16266	12.5
410.25342	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	410.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86940	0.5
55.01880	1.0
55.05518	5.6
56.05039	0.9
57.07077	0.9
67.05519	7.8
68.05027	0.9
68.39708	1.0
69.07068	2.8
70.06616	0.9
71.05017	0.8
71.08622	4.6
79.05493	4.5
81.03412	1.3
81.07068	10.1
82.06555	1.2
83.04971	1.2
83.08619	7.3
84.04502	2.5
85.06560	0.8
85.10197	0.8
87.09225	3.0
90.62571	0.6
91.05460	4.0
93.07045	4.6
94.06572	3.3
95.04964	3.9
95.08624	7.5
96.04494	1.0
96.08121	3.6
97.06528	1.1
97.10178	2.9
99.08099	2.5
100.11260	26.1
105.07030	1.3
107.08599	3.5
108.08179	0.7
109.06496	1.1
109.10165	5.1
111.08112	1.4
119.08572	3.4
121.06474	0.8
121.10123	4.8
123.08114	0.8
123.11716	3.6
123.23928	0.7
124.11179	0.9
125.09616	1.4
131.08542	1.0
133.10112	1.4
135.08069	1.1
135.11722	2.6
136.11200	7.0
137.09671	0.7
140.14394	7.0
145.10147	2.8
147.11659	1.4
149.09581	1.1
149.69104	0.7
150.12814	0.8
151.11157	0.7
152.14336	1.4
154.12270	1.3
161.09727	0.7
162.12808	1.2
163.11131	2.1
164.14375	0.9
168.13855	1.1
173.09578	0.8
176.14259	0.9
180.13812	1.4
192.13840	1.6
194.15460	3.3
196.13274	0.8
208.13358	1.3
212.16441	4.0
212.20274	0.7
219.70396	0.7
226.14404	1.5
246.22198	0.9
264.23230	4.9
274.21683	4.5
282.24310	8.2
284.22153	1.5
292.22711	15.3
310.23734	59.5
357.27731	0.7
372.40344	0.7
372.46103	0.8
392.31577	5.0
410.32632	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	410.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	4.5
55.37718	0.8
57.07067	1.5
63.89543	0.8
67.05502	7.8
69.07067	3.8
70.06591	1.1
71.04984	0.8
71.08628	5.1
77.16614	0.9
79.05479	2.1
80.05022	1.3
81.03416	1.2
81.07054	10.0
82.06595	1.7
83.05016	0.9
83.08611	7.9
84.04510	2.0
86.09701	1.0
87.09222	3.6
91.05488	4.4
93.07042	5.2
94.06542	1.7
95.04954	1.9
95.08611	5.0
96.08127	4.0
97.10173	1.6
99.08080	0.9
100.11261	23.7
104.55831	0.8
105.07049	3.7
107.08582	4.6
109.10165	5.1
114.35948	0.9
119.08564	1.8
121.10152	5.6
123.11672	1.1
133.10121	1.2
135.11665	1.1
136.11214	4.4
137.09570	0.9
140.14342	5.6
147.11687	1.9
149.09552	1.0
150.12782	1.0
151.11156	1.1
163.11209	1.4
170.25974	0.9
173.09676	1.6
186.86182	1.0
192.13921	3.5
194.15398	1.7
212.16544	1.8
212.20258	1.0
213.07088	1.0
226.14262	1.0
246.22289	1.0
264.23224	5.3
265.93552	1.0
274.21683	1.7
282.24255	8.3
283.18912	0.9
292.22662	15.5
310.23755	56.2
375.28918	1.2
392.31503	3.6
410.32678	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01287	0.3
65.69635	0.4
69.03434	0.5
70.06591	2.3
72.08158	0.4
81.03418	0.4
84.08180	0.5
85.02901	0.9
86.00010	0.4
87.00814	0.6
92.65309	0.4
107.08685	0.4
109.02911	0.5
127.03939	0.4
129.10182	0.5
147.04453	2.1
147.09154	5.0
163.03894	11.3
191.08150	5.0
203.05263	7.9
231.13579	5.9
245.12788	0.6
263.14041	0.6
281.14929	4.8
307.12979	1.5
325.13913	5.5
350.13510	0.6
353.15686	6.7
360.41663	0.4
394.12524	0.7
411.19894	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	411.199
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31867	0.3
58.18068	0.3
58.39335	0.3
70.06592	0.9
72.08151	0.8
84.08137	0.7
85.02905	0.4
86.09709	1.6
100.52377	0.4
102.32245	0.4
107.61899	0.4
110.07130	0.4
120.08141	2.0
127.38144	0.4
129.10239	0.5
131.04944	0.6
159.14162	0.5
164.10762	0.4
185.04166	0.5
200.12892	0.6
203.05293	1.8
234.12354	0.5
357.18103	0.7
411.19916	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01093	0.4
62.19759	0.3
63.03128	0.4
63.87292	0.4
70.06568	0.7
70.71593	0.4
86.09720	0.7
90.34198	0.5
90.34753	0.4
92.20967	0.5
95.20174	0.5
103.51274	0.5
144.25742	0.4
154.05038	0.8
163.05003	0.5
169.13319	0.6
185.04234	0.5
187.95305	0.5
197.12808	0.5
203.05283	0.6
281.98480	0.4
302.04208	0.6
314.18546	0.5
361.94144	0.6
411.19904	100.0
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
51.24567	0.5
55.05515	0.7
56.05038	3.2
58.23096	0.5
63.32940	0.5
67.05502	2.9
69.07068	2.4
70.06594	2.3
81.07056	4.5
81.89475	0.5
83.08611	2.9
84.08141	0.9
85.02912	0.6
91.05464	0.7
93.07030	0.9
95.08609	3.3
105.07030	0.9
107.08599	2.4
109.10140	0.9
114.62228	0.6
117.07050	0.6
119.08556	0.9
121.10165	1.0
135.11717	2.8
137.13324	0.7
147.11722	2.1
149.13266	2.9
164.14383	0.8
166.15828	1.8
181.17003	5.8
182.15404	100.0
196.17017	5.9
199.18057	26.1
200.16501	0.8
202.33391	0.5
209.20036	0.7
210.18536	9.5
212.16486	3.1
213.19588	0.9
358.27484	2.5
375.30008	4.3
376.28479	2.8
393.31143	11.6
394.29568	5.5
411.22916	1.2
411.32202	29.6
422.93396	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46679	1.4
55.05517	7.0
56.05055	1.5
56.87817	1.4
58.72402	1.4
64.38212	1.5
67.05515	23.9
69.07066	10.7
70.19211	1.6
79.05507	11.0
81.07065	32.3
81.37303	1.6
83.08629	14.4
85.05493	1.7
85.29089	1.5
88.83028	1.6
91.05474	17.4
93.07039	19.2
95.08607	33.1
97.06556	8.0
97.10170	8.1
99.08096	2.0
100.11270	3.9
105.07033	11.8
107.08595	19.5
109.06583	2.1
109.10175	22.8
111.08095	2.4
117.07016	9.7
119.08577	21.8
121.06496	2.2
121.10146	26.6
123.08101	2.0
123.11707	6.0
125.09608	2.5
131.08563	24.9
133.10127	28.0
133.12369	1.6
135.11719	21.1
143.08664	1.7
145.10127	16.8
147.11687	23.4
149.09668	4.0
149.13251	8.9
152.14377	1.8
153.12666	1.6
157.10132	3.9
159.11682	10.8
161.13252	19.4
163.11180	2.7
163.14784	3.0
165.12782	2.8
170.15442	1.7
171.11690	3.6
173.13275	9.4
175.14809	10.5
182.15372	3.6
187.14816	9.0
189.16389	4.1
196.16945	7.6
198.14970	3.2
199.14751	2.4
201.16344	3.2
205.15794	2.1
213.16481	1.9
233.19051	3.5
249.18542	3.4
285.25897	2.8
292.99496	1.9
295.24155	2.4
303.26761	9.9
312.26776	7.8
313.25171	25.3
330.27945	21.7
331.26282	69.8
347.30612	17.7
348.28955	31.5
358.27301	9.9
359.25952	2.5
365.31641	93.7
366.29733	2.2
375.30078	24.2
376.28363	12.0
393.31113	100.0
394.29404	5.6
411.16647	7.3
411.32169	38.7
434.49173	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	411.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	6.8
67.05514	17.3
69.07067	8.9
79.05484	10.2
81.07059	32.9
83.08621	12.7
88.25497	1.5
91.05478	14.4
93.07050	17.3
95.08602	32.4
97.06524	2.6
97.10162	8.6
97.39556	1.6
97.69299	1.5
100.11266	1.9
105.07048	15.6
107.04990	1.7
107.08589	18.8
109.10150	19.4
111.08025	5.1
114.09177	2.0
117.06973	2.6
119.08581	17.4
121.06529	3.1
121.10131	30.5
123.11674	3.5
125.09620	2.8
131.08566	17.8
133.10155	22.8
135.08052	2.2
135.11691	20.2
141.07054	2.1
145.10115	20.5
147.11690	23.7
149.09596	2.3
149.13268	9.2
151.11134	2.0
155.08572	2.2
159.11705	11.8
161.13208	21.8
163.11221	2.1
163.14825	5.7
171.11731	2.9
173.13281	7.0
175.14803	13.7
177.12706	2.7
185.13257	2.1
187.14819	3.3
189.16406	7.9
191.14342	3.1
196.16989	2.3
199.14848	2.2
201.16389	3.7
205.15979	2.4
210.18536	2.1
215.17935	1.9
219.17551	1.6
233.19023	1.9
249.18542	2.1
285.25876	2.3
303.26944	6.2
312.26843	3.4
313.25235	25.7
319.68857	1.7
330.27820	21.7
331.26273	71.4
347.30667	15.8
348.29025	27.3
358.27307	7.0
359.25821	2.7
365.31616	86.6
366.30066	2.7
375.30048	17.1
376.28406	9.3
393.31088	100.0
394.29272	8.6
411.16492	3.2
411.26288	8.9
411.32184	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	412.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	5.0
55.01870	6.2
57.03439	2.9
61.02921	6.2
69.03434	25.0
69.07079	9.6
71.04988	6.2
72.22218	1.3
73.02914	11.6
81.03427	23.5
85.02907	100.0
86.45531	1.2
87.00828	40.3
87.04478	1.7
87.08111	14.3
91.03943	1.5
91.96764	1.3
95.63522	1.3
97.02893	45.8
99.04446	20.7
105.01868	61.5
109.02882	41.9
115.03901	1.4
117.01854	1.5
119.10665	2.3
127.03914	85.6
127.35076	1.3
129.01820	5.5
145.04951	35.8
147.02809	2.1
147.10126	10.2
159.02869	23.3
213.03926	2.9
231.04996	29.6
233.34135	1.3
242.49954	1.4
242.52507	1.3
249.06000	11.7
250.57123	1.4
250.81915	1.4
325.94138	1.5
397.69458	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	412.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	5.0
55.01870	6.2
57.03439	2.9
61.02921	6.2
69.03434	25.0
69.07079	9.6
71.04988	6.2
72.22218	1.3
73.02914	11.6
81.03427	23.5
85.02907	100.0
86.45531	1.2
87.00828	40.3
87.04478	1.7
87.08111	14.3
91.03943	1.5
91.96764	1.3
95.63522	1.3
97.02893	45.8
99.04446	20.7
105.01868	61.5
109.02882	41.9
115.03901	1.4
117.01854	1.5
119.10665	2.3
127.03914	85.6
127.35076	1.3
129.01820	5.5
145.04951	35.8
147.02809	2.1
147.10126	10.2
159.02869	23.3
213.03926	2.9
231.04996	29.6
233.34135	1.3
242.49954	1.4
242.52507	1.3
249.06000	11.7
250.57123	1.4
250.81915	1.4
325.94138	1.5
397.69458	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	412.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91287	2.3
52.46334	2.5
52.64466	2.1
53.03959	2.4
54.26217	2.2
54.79839	2.3
55.05507	2.6
57.03444	23.6
59.05011	3.7
59.63070	2.3
61.02907	3.6
69.03437	71.6
73.79538	3.5
73.79932	3.0
81.03441	3.0
82.48035	3.1
85.02912	100.0
87.04469	92.2
97.02899	90.2
99.04472	3.7
105.05495	5.7
110.51817	2.7
115.03934	95.3
127.03936	18.0
133.04959	76.8
133.05922	3.2
145.04936	24.4
147.10167	4.3
150.07642	6.7
156.56747	3.2
163.05919	4.3
259.08188	6.8
263.14804	7.1
277.11761	3.8
295.10281	15.3
381.26004	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	412.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	18.0
57.03450	15.8
58.96921	1.6
59.05002	3.0
61.02921	3.1
61.37436	2.0
69.03435	71.2
69.07075	10.5
70.06589	3.3
75.04473	2.4
81.03411	6.9
81.07056	2.2
83.04979	2.0
83.08625	42.3
85.02910	84.5
87.00831	3.1
87.04470	100.0
91.03944	2.9
95.08635	3.0
97.02891	76.4
99.04440	3.1
101.19602	1.7
104.10739	1.6
105.01874	6.3
105.05510	11.3
109.02866	8.5
115.03927	97.8
115.71482	1.6
124.07838	1.7
125.09680	3.1
127.03932	22.7
129.10211	2.6
129.12767	3.1
133.04965	68.5
143.33769	1.8
145.04962	24.7
147.10141	19.1
150.07616	11.1
163.06026	11.6
179.10602	2.6
209.11533	1.6
215.12811	11.0
225.94615	1.7
241.07159	2.6
259.08115	8.3
295.10251	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	412.2228
Annotation	Phe Val Phe
Peak:m/z	Relative Intensity
55.05517	2.6
55.72237	0.4
59.68013	0.4
72.08157	33.2
80.41529	0.4
87.89442	0.5
88.02709	0.4
95.45541	0.5
95.88738	0.5
96.84563	0.4
102.57754	0.5
103.05452	0.7
110.96899	0.5
120.08102	100.0
127.04066	0.5
166.08627	3.5
219.14914	24.1
247.14410	29.6
265.15463	2.2
364.91760	0.6
412.22101	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	412.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25196	0.2
53.76609	0.2
55.05507	1.6
57.05824	0.3
61.15043	0.2
72.08159	38.9
72.50823	0.3
85.02911	1.6
86.09676	0.3
87.00821	0.4
93.07087	0.3
94.36298	0.2
103.05509	0.4
105.01851	0.4
110.17634	0.2
120.08105	100.0
127.03899	0.4
131.04944	0.3
138.33862	0.3
149.06039	0.3
154.37079	0.3
161.76381	0.3
162.78688	0.3
166.08647	3.9
197.13220	0.5
219.14920	23.5
225.74043	0.3
247.14403	27.3
255.61176	0.3
265.15582	2.2
412.22656	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	413.1416
Annotation	t(6)a
Peak:m/z	Relative Intensity
69.03432	0.6
69.57632	0.6
70.06598	7.1
70.55312	0.5
73.02876	0.7
74.06076	2.1
78.82462	0.5
83.08611	3.5
85.02904	0.7
86.09681	0.9
101.09666	2.5
102.05545	1.2
114.44453	0.5
119.10638	0.7
119.19483	0.6
120.06584	8.3
136.06189	100.0
149.46881	0.6
149.99724	0.6
162.04102	63.9
171.11308	1.1
177.05573	0.5
181.43968	0.6
183.11612	0.6
183.20865	0.6
208.09773	0.7
215.13942	1.4
281.09949	56.3
413.24088	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	413.157
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19736	0.7
56.68021	0.5
69.03403	0.7
77.02484	0.6
81.07077	1.0
85.69736	0.7
95.08616	1.1
131.08519	0.7
135.11795	0.7
137.05978	3.0
145.10144	1.5
159.11690	1.1
173.09560	0.7
175.07539	1.5
183.11693	0.6
198.74655	0.7
202.06006	13.4
214.12141	0.9
301.07104	2.8
314.30948	0.7
372.76352	0.8
395.25589	1.0
413.15723	100.0
413.21240	3.6
413.27365	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	413.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86972	0.2
56.96560	0.3
70.06549	0.2
86.09711	2.0
98.29695	0.2
145.91454	0.2
162.03021	0.2
177.05392	0.4
196.34007	0.2
198.07973	0.5
216.09122	0.5
218.10648	0.3
226.07466	16.2
230.36771	0.2
241.10851	0.2
244.08548	100.0
262.09604	31.7
267.10181	1.3
300.15363	0.4
336.27719	0.3
380.24310	0.3
413.19559	54.2
439.42633	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	413.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.4
57.07084	25.3
59.06129	3.5
60.04529	98.1
67.05492	2.3
69.07068	7.5
71.08632	14.2
81.07035	9.7
83.08609	4.3
85.04021	2.6
85.10179	4.9
85.58656	2.0
86.06067	19.5
87.05578	2.9
95.08621	4.2
96.20895	1.8
101.07236	2.5
103.05042	3.8
104.95496	1.8
110.20284	1.9
111.11686	2.1
113.04739	9.2
128.05832	15.6
129.06601	94.0
130.55730	2.0
139.36259	2.0
145.06070	3.1
171.07631	58.2
337.32007	2.9
339.29831	3.6
372.31238	3.7
413.33643	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14410	1.1
57.07096	2.9
58.06606	2.1
62.06097	2.4
69.07066	5.9
71.08630	2.3
77.55389	1.2
81.07077	2.5
93.07046	3.1
95.08615	2.6
97.06535	1.5
97.10181	2.6
121.10104	9.7
138.12814	7.0
139.11232	6.0
143.72189	1.4
156.13878	1.7
166.89970	1.3
168.16014	1.2
184.13310	10.8
192.34415	1.6
210.14908	13.6
211.13393	5.6
212.23714	77.6
227.17659	2.3
228.15910	5.1
230.24773	100.0
240.23207	14.7
395.36298	93.7
395.41510	2.7
396.34781	24.0
413.37506	87.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06465	0.8
51.54921	0.8
51.95065	0.7
54.18268	0.7
55.05523	1.1
56.67966	0.8
60.05653	5.4
67.05504	2.5
70.06612	0.9
71.08638	1.2
79.05476	1.6
81.07063	2.3
83.08617	2.2
86.06070	5.8
87.04464	5.2
91.05482	1.4
95.08619	1.4
96.05599	1.7
97.10159	4.6
98.06059	7.3
107.08588	1.7
110.05996	1.3
112.05128	1.4
112.07602	8.5
119.08620	1.4
121.10159	1.4
125.09631	6.7
128.08200	1.3
130.08644	4.3
137.09639	7.5
150.02792	1.3
163.07497	1.1
165.09108	2.1
175.06316	4.2
175.07674	1.2
189.38757	1.2
190.08633	23.2
193.04874	1.0
193.12352	1.5
194.12875	2.4
206.08220	1.2
210.14894	1.4
211.13330	5.8
222.14845	1.7
222.76865	1.1
228.15974	7.8
258.17023	8.5
293.21390	2.2
294.11237	2.2
298.17661	2.3
300.18030	1.3
306.07574	1.4
308.09515	2.3
322.07294	4.8
323.11597	3.7
324.08701	11.4
334.07077	1.6
336.08588	3.9
338.10141	13.2
339.11032	2.5
352.08160	46.3
352.11841	2.0
354.13315	12.7
355.14178	1.5
366.09882	7.4
367.10574	8.6
382.09076	1.8
382.12833	99.0
414.15469	100.0
414.28955	21.4
433.90805	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	414.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
57.03430	0.7
61.02944	0.7
67.59927	0.5
69.03438	6.1
70.06577	0.7
71.05009	1.4
73.02905	1.1
73.06561	0.9
80.71530	0.7
81.03422	5.4
82.75077	0.6
85.02911	59.0
86.09714	1.0
97.02897	15.5
99.04462	17.7
103.03947	99.3
109.02881	13.6
114.52024	0.6
116.07068	0.8
120.90488	0.6
127.03917	100.0
141.06601	0.7
145.04967	40.5
163.04633	1.5
163.06012	45.0
169.06064	0.8
186.08772	1.0
187.06021	2.5
205.07120	2.3
245.00768	0.6
271.08047	5.1
289.09216	8.6
299.17126	0.9
307.06689	1.0
307.10236	31.2
324.42526	0.6
379.15918	0.9
394.34381	0.6
396.22287	0.9
414.25641	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	414.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28918	20.0
60.83984	23.5
64.54462	23.5
69.73255	26.0
75.31390	24.2
77.65291	25.5
80.67424	33.1
86.64088	24.4
174.00620	100.0
186.00504	30.1
188.02086	53.3
195.45294	25.5
200.06093	29.0
231.39633	26.4
269.09225	32.0
354.19153	30.8
414.21283	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	414.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	14.0
59.04994	3.9
61.02943	3.4
67.57162	1.6
69.03436	61.8
70.06580	2.8
73.02910	9.9
81.03421	6.0
83.52406	1.5
84.08163	1.7
85.02909	100.0
87.04473	59.5
87.08254	1.8
91.03973	2.5
92.21165	1.8
94.39520	1.7
97.02898	66.8
99.04475	3.7
109.02865	7.6
112.41615	1.5
115.03931	79.2
127.03901	27.1
133.04974	72.3
145.04970	34.6
150.07605	8.3
151.19606	1.6
163.05988	16.1
169.04910	2.2
173.51041	1.4
185.77156	1.8
223.06160	1.9
259.08151	8.7
265.16580	12.4
295.10330	13.8
350.85349	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	414.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.9
55.05512	10.7
57.03448	22.0
59.04985	2.0
61.02932	4.5
64.90521	2.0
67.05516	2.3
69.03436	51.6
70.06595	3.8
73.02921	52.3
79.71732	1.9
80.37213	2.1
81.03424	4.6
83.08616	14.9
85.02908	100.0
86.03261	3.2
87.04478	28.2
88.04794	3.2
91.03952	2.6
97.02901	74.3
98.03259	2.9
99.04440	3.7
100.64950	2.2
109.02863	9.9
115.03928	47.7
116.04306	2.9
117.04321	2.7
127.03898	26.2
133.04968	44.1
134.05342	2.9
135.05458	2.7
145.04948	42.7
163.05975	20.7
176.86612	2.2
199.00098	2.2
241.07146	3.9
245.87950	2.3
249.02728	2.7
259.08038	11.4
265.16592	5.3
277.09305	2.7
295.10129	11.5
319.10562	2.8
414.23627	3.0
433.14041	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	414.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	16.9
59.05004	4.3
60.04519	1.2
61.02925	5.5
69.03435	67.2
73.02908	4.2
81.03420	1.8
85.02908	100.0
87.04471	68.7
91.03955	2.6
97.02890	78.0
99.04472	4.3
109.02872	6.9
115.03928	96.8
123.04364	1.3
127.03920	21.1
133.04964	76.0
145.04961	29.7
150.07663	9.3
163.06013	17.3
192.28287	1.0
192.64320	1.2
241.07184	1.9
259.08157	8.5
265.16498	8.7
277.09204	4.1
295.10336	9.8
416.32300	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	414.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23308	1.7
62.32218	2.0
64.87136	1.8
65.92895	2.1
70.30196	1.5
70.47570	1.6
70.68186	1.6
70.92560	1.8
74.23908	1.7
74.99158	1.8
156.56767	1.8
260.11456	2.2
336.22006	25.4
352.21686	4.6
354.23138	100.0
370.22498	3.6
372.24231	20.9
404.02118	2.3
414.25275	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	414.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74724	0.9
53.45553	1.0
53.96806	0.9
57.00357	1.1
58.82694	1.0
60.13558	0.9
73.31298	1.0
74.94650	1.0
164.67708	1.1
184.71704	1.3
209.68210	1.3
212.65260	1.1
228.09119	6.5
230.10643	1.1
231.56654	1.1
246.10263	4.1
254.10727	2.8
268.12115	1.3
336.21933	24.4
352.21625	6.0
354.23151	100.0
370.22476	6.3
372.24277	22.9
414.25250	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	414.3211
Annotation	3-hydroxypalmitoleoylcarnitine
Peak:m/z	Relative Intensity
57.06832	1.1
57.07090	23.7
71.08636	39.2
80.68109	1.0
84.19456	0.9
85.10191	25.8
89.06037	41.9
91.05473	2.3
92.21301	2.1
93.07034	13.4
95.04962	1.3
121.05633	2.8
121.06506	76.9
133.08615	12.4
147.08063	5.8
165.09129	17.1
177.11246	2.3
219.07622	1.4
247.20636	1.8
271.15393	100.0
287.97913	1.4
323.91638	1.3
380.57501	1.5
397.29498	43.9
397.34567	1.7
419.74246	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	415.1
Annotation	Unknow
Peak:m/z	Relative Intensity
60.90903	1.3
64.82692	1.2
65.89653	1.3
70.20927	1.2
72.83909	1.3
90.15008	1.3
114.79053	1.9
160.37363	1.5
165.02231	1.4
203.16533	1.5
315.48172	1.7
322.75864	1.5
350.52042	1.5
414.95416	2.3
415.09940	100.0
434.32880	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	415.1
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07359	2.6
53.89420	2.0
53.89719	2.2
70.06599	3.9
84.08142	6.6
86.09693	4.4
110.07146	4.5
127.12323	3.9
152.05653	6.7
154.39888	3.2
160.28815	3.2
165.89517	3.2
166.07297	3.0
291.28210	4.4
356.44818	3.1
415.09924	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70554	0.2
67.96213	0.2
70.06598	6.3
72.08159	0.6
75.90922	0.2
77.62835	0.2
84.04526	0.2
84.08162	0.3
85.02901	1.3
85.93444	0.3
86.09711	4.6
88.34137	0.2
91.05463	1.7
93.25769	0.2
95.01344	0.6
112.08709	0.4
113.02351	0.4
116.07102	1.7
119.04945	8.1
127.08645	0.3
129.10210	0.3
132.71159	0.3
141.01834	1.6
147.04413	100.0
159.02856	0.3
162.81935	0.3
173.11292	0.3
173.12868	1.4
185.09235	1.2
196.06134	0.3
201.12338	0.6
213.08705	1.0
215.13847	0.5
229.15491	0.3
239.09145	3.5
268.14069	0.5
323.07596	4.0
326.17166	0.4
415.14740	2.2
415.21396	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	415.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.5
53.09931	0.3
55.01871	1.8
57.03434	0.3
61.02916	0.5
65.12013	0.4
69.03130	0.3
69.03440	4.8
70.06591	3.3
71.04987	0.8
72.08151	2.1
73.02914	0.9
81.03425	6.0
81.05894	0.4
84.08157	0.6
85.02911	16.0
86.09710	7.6
87.00832	4.5
89.09010	0.4
91.03931	0.7
97.02912	4.7
99.04471	4.0
105.01891	3.8
109.02879	7.6
116.07081	2.2
121.06479	0.9
125.05995	7.7
127.03922	12.6
129.01840	0.5
129.10188	0.5
145.04982	6.7
147.02922	0.4
149.05988	16.2
159.02908	5.5
167.07036	100.0
191.07050	0.8
209.08102	0.6
223.29654	0.4
226.32027	0.4
229.11975	0.4
231.05107	4.2
233.08260	0.5
300.19379	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	415.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86977	0.5
60.15207	0.5
70.06597	8.7
72.08157	1.1
75.15498	0.5
83.29626	0.5
84.08144	0.7
86.09718	11.9
86.10199	0.9
105.57980	0.5
110.07181	0.7
112.08795	0.7
116.07056	4.5
119.08556	0.6
136.90961	0.6
139.76045	0.6
141.06633	0.5
147.04396	5.3
173.12889	0.6
176.03191	3.1
176.06964	0.7
185.09222	0.6
203.05334	0.6
222.14290	0.5
229.15468	1.1
230.07817	1.3
243.05035	1.0
274.06912	1.1
300.15805	0.8
351.09406	2.7
369.10587	3.3
383.12131	19.7
384.12909	0.6
397.13416	0.6
400.12582	4.5
415.14764	100.0
415.26459	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	415.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42253	0.7
65.20696	0.9
67.05535	0.7
69.03428	4.1
70.06587	1.9
72.08146	3.5
73.02923	1.2
81.03419	1.3
84.08144	1.7
85.02916	6.7
86.03257	0.9
86.09725	6.9
87.04464	0.9
93.07014	0.9
97.02899	3.6
103.03938	1.9
109.02884	1.6
115.03924	3.0
119.08605	0.9
127.03894	3.8
129.10266	2.0
131.08560	0.9
132.22525	0.7
133.05037	1.6
137.05965	4.8
145.04958	3.3
149.09622	1.2
163.06020	1.4
165.12750	0.9
167.10501	1.3
171.59180	0.8
185.09624	0.9
207.17374	0.9
213.09013	1.6
237.18518	1.5
273.11224	1.9
283.07959	1.2
329.15692	3.8
339.12241	0.9
345.07883	3.9
371.16742	6.3
397.16492	8.7
401.28656	1.4
415.15701	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	415.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67053	0.4
68.02514	0.6
69.03424	3.3
69.98718	0.5
70.03738	0.7
70.06572	1.1
72.08143	2.4
72.26192	0.5
83.04932	0.8
85.02901	10.0
86.03198	1.0
86.09704	6.9
87.04448	2.3
91.05480	3.8
97.02930	4.2
99.04417	2.4
101.50990	0.5
103.03937	5.1
105.07049	0.6
109.02891	0.8
109.10142	0.8
115.03911	3.7
119.08527	0.7
120.96797	0.5
121.10220	0.9
124.57442	0.6
127.03914	9.5
133.05009	0.9
137.06003	1.3
145.04947	2.5
163.05980	1.2
167.10472	2.6
177.05460	3.2
185.04205	0.7
188.17538	0.7
191.14217	0.9
199.17911	0.6
227.17488	0.9
273.11279	1.4
329.15637	10.7
371.16776	16.6
397.16580	3.4
415.15677	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1594
Annotation	Herdmanine C
Peak:m/z	Relative Intensity
51.40731	1.3
53.03955	2.4
57.03437	2.8
60.13687	1.1
61.02927	3.1
61.25720	1.1
69.03433	17.7
70.06557	1.3
71.04993	3.1
73.02917	10.6
81.03428	15.4
83.06543	1.2
85.02909	73.4
86.09702	6.8
87.04485	1.3
91.03970	1.3
91.05483	30.7
97.02900	28.8
99.04463	35.7
103.03947	86.4
109.02878	13.6
115.03918	2.4
127.03918	100.0
145.03827	2.1
145.04962	48.9
163.06009	39.6
167.10449	1.3
175.84857	1.3
205.07066	1.2
242.09181	5.2
243.09874	1.5
261.49719	1.4
271.08167	5.3
289.09128	6.0
307.10229	8.3
329.15381	4.6
371.16696	4.9
383.17197	5.4
415.15463	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	415.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03395	1.3
70.06588	1.5
85.02892	2.8
86.09698	6.3
91.05496	2.1
97.02874	1.1
97.54662	1.1
104.17633	1.2
105.07011	1.7
109.06513	1.3
119.83549	1.3
127.03963	1.3
129.06978	2.1
131.08563	2.7
133.10114	1.4
137.05968	49.4
140.44688	1.2
141.06927	1.2
147.04407	1.3
148.11191	2.3
151.07547	4.8
152.07080	4.3
157.06531	2.2
159.08070	5.7
161.05960	6.7
161.09624	1.8
171.08040	1.5
174.06799	1.8
183.08008	1.3
185.09621	2.3
186.06750	1.6
187.07559	6.5
189.09027	6.7
191.07060	1.9
195.08113	1.4
197.09607	8.5
198.06741	7.0
199.07523	6.3
199.11130	1.7
200.08200	1.8
201.09160	5.1
203.10815	1.4
211.07527	1.9
213.09041	26.0
215.10730	5.9
217.08467	1.8
219.10173	2.2
225.09073	7.6
243.10117	22.3
255.10114	6.5
261.08878	2.0
261.11374	1.9
273.08279	1.7
273.11188	44.8
289.11926	1.3
291.10233	2.6
303.10165	1.8
307.09683	4.5
317.11746	2.5
321.11227	8.8
334.11966	1.4
335.12650	1.7
339.12186	1.5
341.13815	2.3
349.14667	1.3
351.12042	1.6
354.14642	2.2
367.15363	2.1
379.15256	5.4
397.16434	100.0
415.14850	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	415.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05550	0.2
70.77742	0.2
88.11833	0.2
102.67223	0.3
119.08593	1.1
134.51102	0.2
151.98024	0.2
217.36754	0.2
288.58728	0.2
341.16428	0.5
343.16061	0.2
386.16315	4.2
387.17197	0.3
391.89847	0.3
400.17755	0.4
402.29901	0.2
415.20148	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	415.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
92.20988	0.6
112.84066	0.5
138.43126	0.5
242.24767	0.6
346.65253	0.5
358.13043	1.7
387.17001	100.0
415.20132	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	415.2009
Annotation	Naltrindole
Peak:m/z	Relative Intensity
51.58150	0.5
51.83805	0.5
83.15374	0.5
91.05479	2.8
95.80386	0.5
109.27057	0.6
111.24868	0.5
117.02300	0.5
117.07057	0.5
119.08577	59.5
135.08032	0.6
140.89586	0.5
150.97021	0.5
197.97432	0.5
332.58960	0.6
387.17010	100.0
400.87366	0.6
415.20151	99.1
416.08801	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2114
Annotation	Magnoshinin
Peak:m/z	Relative Intensity
62.56795	0.2
72.57438	0.2
91.05486	3.0
104.06216	0.3
116.48203	0.3
117.07053	0.3
119.08579	100.0
121.11534	0.2
124.59545	0.2
133.06516	1.5
135.08023	0.4
157.55524	0.2
172.09601	0.3
235.34546	0.2
259.05289	0.2
315.16388	0.3
325.09015	0.2
333.17368	0.6
368.24619	0.2
411.31131	0.3
415.21173	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	415.2112
Annotation	Magnoshinin
Peak:m/z	Relative Intensity
58.76153	0.2
91.05488	2.8
92.63297	0.2
103.05495	0.2
104.06242	0.3
107.08596	1.5
117.06998	0.4
119.08581	100.0
133.06519	1.2
135.08049	1.5
142.90446	0.2
199.49916	0.3
209.99170	0.3
415.21240	3.0
433.53992	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	415.2113
Annotation	Magnoshinin
Peak:m/z	Relative Intensity
53.64420	0.3
57.62630	0.3
60.82604	0.2
69.03429	0.3
80.93599	0.3
84.25317	0.3
84.29058	0.3
91.05487	2.3
117.06994	0.5
119.08581	100.0
133.06505	1.7
135.08005	0.4
145.48811	0.3
147.52274	0.3
151.13728	0.3
237.88235	0.3
242.65640	0.3
256.26373	0.3
282.15121	0.3
295.75729	0.3
387.38449	0.3
415.21127	2.9
415.35373	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	415.2115
Annotation	Magnoshinin
Peak:m/z	Relative Intensity
63.08573	0.2
69.03436	0.3
79.15938	0.2
91.05478	2.8
103.05416	0.3
105.68778	0.3
107.08569	0.6
117.06955	0.6
119.08581	100.0
123.95719	0.3
133.06512	0.6
135.08054	1.3
156.23732	0.3
166.63771	0.3
204.20158	0.3
223.87024	0.3
387.17023	37.7
415.20181	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	415.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32525	0.5
55.05517	5.2
67.76417	0.6
69.07064	1.3
70.06599	9.5
71.27917	0.5
72.08158	100.0
84.08146	0.7
86.09708	43.9
112.92255	0.6
116.07093	49.2
139.10217	0.6
146.99687	0.6
155.11823	1.0
159.11250	6.1
166.55644	0.7
171.14922	0.9
173.12868	8.7
183.11311	16.0
187.10780	1.1
199.14558	0.6
201.12354	7.9
208.10979	1.4
215.13924	10.6
237.15875	1.3
282.18097	35.1
300.19177	13.4
302.17142	0.7
360.06036	0.6
385.17780	0.9
415.19623	2.6
415.25690	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	415.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
64.80271	0.6
66.63546	0.6
69.07069	0.5
70.06597	11.4
72.08148	3.2
72.20125	0.7
84.08136	0.7
86.06068	4.0
86.09707	100.0
90.15965	0.7
104.85906	0.7
112.08711	4.4
113.07154	0.8
114.05524	2.5
115.08697	4.0
120.92603	0.6
121.10168	0.8
124.59158	0.6
129.10275	1.1
130.08650	16.7
147.11287	1.2
156.11331	14.3
157.13327	2.7
172.10797	25.2
179.65030	0.8
189.13586	0.8
285.19223	6.1
302.21652	0.8
328.43021	0.7
415.15250	6.5
415.26596	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	416.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73696	0.4
54.33045	0.4
55.01888	0.7
55.05513	0.4
57.03434	3.3
61.02927	7.0
66.43533	0.4
67.02030	0.4
69.03434	11.0
70.06586	3.3
71.05009	1.2
71.06922	0.4
72.08152	3.7
73.02924	3.8
81.03430	3.4
84.08145	3.7
85.02908	100.0
86.09704	8.3
87.04472	3.0
87.08101	0.6
91.03972	6.5
97.02893	23.9
99.04476	3.7
103.03951	0.9
109.02882	8.0
115.04012	0.9
127.03911	30.5
129.10237	6.0
133.03180	0.5
133.06104	0.9
136.06184	0.8
145.04967	46.1
150.05516	0.7
150.09200	1.0
157.13252	0.6
163.04652	0.7
163.06015	19.1
168.10201	2.1
171.11266	0.5
193.04207	0.5
237.13329	10.6
289.08975	0.7
291.09402	0.8
325.11404	5.5
368.92960	0.5
416.22357	2.0
416.28647	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	416.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42914	0.6
55.01869	1.6
57.03436	2.6
61.02927	6.9
67.39140	0.5
69.03430	9.5
70.06591	4.3
71.04990	1.5
72.08146	3.8
73.02916	3.2
74.29126	0.5
81.03410	3.6
84.04494	1.3
84.08135	3.1
85.02908	100.0
86.09703	10.9
87.04472	2.8
91.03960	7.3
91.51681	0.5
97.02895	19.9
99.04438	4.7
101.07129	0.8
104.18153	0.7
109.02871	9.0
111.33138	0.6
112.05066	1.2
115.03970	0.9
116.07105	1.1
127.03905	31.0
129.10236	1.5
131.11795	1.3
132.08089	1.1
135.35268	0.7
136.07568	4.5
145.04964	47.3
147.04425	1.1
150.05574	0.9
163.06012	23.3
168.06537	0.6
182.12953	0.7
184.60252	0.7
196.06067	4.0
207.11415	0.8
237.13338	14.4
242.15068	2.4
246.11661	1.3
325.11279	5.8
416.15442	8.2
416.28900	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	416.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.5
55.01886	1.0
55.05520	0.6
57.03441	3.1
61.02936	8.6
69.03431	9.8
69.87139	0.3
70.06599	3.0
71.04996	0.9
72.08162	2.4
73.02924	4.0
73.59950	0.3
74.06107	0.5
74.30537	0.4
81.03417	3.9
84.04504	0.6
84.08141	2.8
85.02911	100.0
86.09725	2.1
87.00837	0.8
87.04473	2.5
87.98125	0.4
91.03967	8.8
97.02898	23.7
99.04474	4.8
103.02176	7.8
103.03960	1.7
105.01852	2.0
105.09159	0.8
109.02888	8.4
115.03934	2.4
117.59166	0.4
118.91588	0.4
119.04958	0.6
127.03918	29.1
129.10246	2.6
133.03203	7.3
137.08350	1.8
145.04970	46.9
145.88155	0.5
150.05531	0.6
154.05844	0.4
157.09665	0.6
159.02846	0.6
163.06015	22.0
168.06613	1.7
179.92329	0.4
214.71039	0.5
231.05074	0.6
236.10356	0.4
237.13348	12.1
250.91821	0.4
289.09073	0.4
325.11325	6.1
416.12073	0.7
416.16983	1.8
416.29358	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	416.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45186	0.9
56.05048	5.5
59.57605	0.9
60.05657	2.2
67.05504	1.4
69.07063	1.2
70.06599	5.4
72.04522	5.9
72.08167	1.4
74.02431	2.5
74.06078	5.0
76.05139	8.7
76.09403	1.2
81.07062	2.6
83.08667	1.2
84.04517	1.2
84.08143	1.8
86.09722	6.0
91.05490	1.2
93.07082	1.4
95.08611	2.4
96.05615	33.6
102.05549	4.5
104.77485	1.1
108.05585	12.6
110.07194	10.4
111.07962	5.2
116.08217	8.3
118.05019	2.7
120.06656	1.4
122.07167	1.7
128.08257	1.3
129.10248	1.4
135.04506	1.0
135.07701	1.3
136.89267	1.2
138.10358	1.5
143.60057	1.4
152.11861	1.9
152.14421	1.6
160.07196	1.9
166.13437	1.4
173.13330	1.3
177.09880	2.4
178.15871	1.4
203.43733	1.2
206.15506	1.8
207.18590	2.3
208.16888	4.5
220.18181	7.4
226.18077	1.8
248.17570	33.4
250.19095	2.0
262.19153	2.8
265.20395	4.8
266.21155	1.8
267.21918	2.3
283.21268	46.7
297.22906	5.6
307.27524	1.2
324.19113	1.2
384.26071	56.4
398.27698	9.7
416.12177	5.5
416.23257	9.3
416.28775	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07116	0.5
62.40347	0.5
69.07066	0.5
77.11146	0.6
94.18462	0.6
114.80556	0.6
119.08585	2.4
120.08905	2.9
127.50092	0.6
136.06194	36.9
136.54085	0.6
142.84790	0.5
148.06229	0.7
173.96429	0.5
416.33829	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	2.5
55.01880	1.7
61.02935	1.2
68.99802	2.2
69.03423	8.4
71.04991	2.0
72.08148	3.9
73.02923	5.3
78.45293	0.8
81.03430	13.3
85.02911	37.0
86.09714	9.6
87.00835	13.3
91.03971	1.2
97.02896	14.7
99.04472	7.7
105.01889	9.1
105.03348	1.0
108.41771	0.9
109.02886	17.2
122.70799	1.2
123.04383	2.2
127.03920	25.2
129.01828	5.2
143.11827	1.3
145.04980	13.7
147.02890	1.5
147.04382	1.4
151.03912	15.0
153.01878	1.3
159.02888	11.3
165.05460	4.4
169.04959	100.0
175.03860	1.9
181.05003	6.0
189.05484	1.2
193.04971	31.5
203.07082	1.4
207.06508	8.5
211.06009	27.1
213.05579	3.6
217.04919	4.1
231.06569	6.8
235.05991	18.4
259.06006	14.7
277.07074	14.3
302.44998	1.1
363.07205	1.6
381.08447	2.4
399.09177	2.4
417.10040	1.8
417.23526	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	417.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46329	0.5
57.03436	0.6
67.19032	0.6
69.07083	0.8
77.97012	0.6
86.09721	3.8
93.07047	0.8
95.08638	0.8
109.02866	1.0
109.10159	0.7
123.11713	0.7
124.26746	0.6
127.03745	5.1
131.08461	0.6
131.26044	0.7
149.09587	1.0
167.06999	3.7
169.04480	0.7
169.08357	1.6
176.33458	0.7
185.04198	1.6
227.05338	3.9
238.11993	0.7
242.96907	0.7
245.06346	3.3
258.44092	0.7
271.04306	0.8
289.05630	0.8
289.08823	4.9
313.08862	0.7
329.37180	0.7
331.09888	6.6
331.13617	7.3
333.07803	0.8
373.14664	17.5
375.08823	3.0
417.13562	100.0
417.17679	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	417.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
60.75063	0.3
63.65736	0.4
69.07064	0.5
70.06586	0.4
71.71272	0.4
72.08125	0.4
85.02925	0.6
86.09714	12.9
98.10732	0.4
113.51077	0.4
143.11774	3.0
167.07045	0.5
247.12860	1.8
255.06506	3.0
284.19598	0.5
297.16608	0.4
308.35623	0.4
392.29163	0.5
406.69592	0.4
417.17337	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	417.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34529	0.4
53.54790	0.5
59.85886	0.5
63.05737	0.5
70.06569	0.8
82.44768	0.5
86.09707	4.7
92.21223	2.0
99.04469	0.6
101.90895	0.5
107.08573	1.0
109.02911	0.7
109.10140	0.8
127.03837	1.1
151.11224	0.9
167.07031	9.3
169.08345	0.8
169.12221	2.6
173.05957	1.2
173.12781	0.7
181.04948	1.3
185.04198	0.7
207.10103	1.0
227.05200	0.8
289.30664	0.6
331.09943	1.7
331.13654	1.3
331.17120	1.1
333.07968	2.1
373.14377	3.9
373.18826	1.0
417.17688	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63998	0.3
53.66932	0.3
58.40224	0.3
61.63615	0.3
69.03430	2.6
71.08619	0.4
71.76034	0.4
86.09723	0.5
86.79708	0.4
107.60953	0.3
114.09164	1.6
127.03914	0.5
141.01254	0.4
143.79343	0.4
154.37138	0.4
172.15337	0.4
181.95372	0.5
185.04221	5.1
231.24623	0.4
255.06563	0.4
255.12009	1.6
355.17401	1.6
416.79950	0.6
417.17313	100.0
417.29968	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	417.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15761	1.6
55.05517	11.0
56.02100	1.9
56.05044	65.9
57.03445	3.8
60.44498	1.5
62.25082	1.7
67.05514	26.7
68.05038	1.7
69.07085	13.7
70.79883	1.5
71.04996	2.9
72.08137	1.8
74.02442	3.3
74.06084	61.5
76.05133	6.7
79.05511	22.0
80.05022	11.6
81.03428	9.0
81.07062	63.4
82.06577	2.5
83.04975	9.3
83.08611	8.6
84.04506	2.8
85.06554	4.1
91.05455	20.1
93.07028	15.4
95.04975	8.5
95.08611	15.4
96.04475	8.0
96.05626	2.2
97.06533	4.7
98.06082	4.0
102.05550	38.9
105.07030	34.7
106.06564	8.9
107.04943	2.3
107.08606	12.2
108.04501	2.9
109.06520	9.2
109.10181	4.0
110.07155	2.4
114.09147	2.4
116.08175	3.4
117.07003	1.9
118.05027	1.9
118.06582	2.6
119.08587	29.3
120.06590	36.0
120.08066	3.6
121.10136	22.8
123.07995	2.3
123.11700	31.4
124.07599	1.9
129.07007	3.8
131.08604	3.4
133.10149	9.8
135.11707	2.0
144.06601	2.8
145.10172	2.9
147.11691	39.4
157.10088	3.7
160.07143	2.3
165.12730	13.2
167.07014	3.7
167.87126	2.3
169.10130	1.9
174.12819	7.4
175.11092	2.1
181.04866	1.9
193.12247	4.6
205.60382	2.1
220.13368	14.1
222.14917	1.9
238.14371	9.6
245.12720	2.1
247.83667	2.2
284.19681	24.5
294.17105	2.4
300.18121	2.4
312.18109	2.3
330.18927	2.5
339.19104	31.2
357.20184	100.0
385.24362	8.3
417.21710	21.4
417.26901	36.6
417.31839	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	417.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	8.0
57.03437	4.4
57.07069	6.2
67.05505	38.5
68.05020	5.5
69.07082	11.0
71.08616	4.4
79.05497	13.3
81.07059	57.5
83.08617	9.6
83.30840	1.2
85.07669	1.6
86.06072	1.9
91.05468	7.9
93.07032	13.9
95.08604	52.4
97.06528	4.6
97.10167	6.6
98.98463	68.8
98.99116	2.6
105.07056	8.1
107.08578	11.3
109.10156	31.9
111.08064	2.3
114.05529	2.6
114.51360	1.3
116.99535	1.5
119.08579	7.0
121.10146	11.9
123.08115	1.7
123.11722	11.5
125.09597	2.8
131.08159	12.1
133.10129	7.8
135.11725	6.3
137.13246	6.5
141.74445	1.4
143.38394	1.3
147.11678	7.3
149.13242	6.5
151.14850	5.2
155.01033	100.0
161.13332	2.7
163.14816	6.4
165.16327	5.3
175.14864	4.7
182.61333	1.1
189.16385	1.6
211.66428	1.4
245.22597	21.1
248.16235	1.3
263.23679	63.3
291.34940	1.3
399.32306	8.3
417.24023	5.7
417.33319	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	417.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05043	5.1
63.67054	1.0
67.05505	5.0
69.04568	1.3
69.07047	2.1
70.06587	1.2
71.62775	1.4
72.04524	5.3
73.71200	1.2
74.02414	2.2
74.06083	6.3
76.05117	1.2
81.07064	2.8
83.08624	1.1
84.05616	2.1
85.06538	4.6
89.04802	1.7
93.07084	2.3
95.08599	5.2
96.05620	9.6
102.05555	2.0
107.08575	1.4
110.07147	2.0
116.08232	2.9
120.06589	2.8
121.10152	1.5
122.07061	1.3
129.25516	1.3
135.11714	1.6
152.14336	1.3
167.07042	1.8
182.15381	10.8
183.18764	1.2
198.14912	4.7
200.16544	7.4
208.17128	1.4
226.74408	1.4
248.17657	7.6
251.17618	2.2
266.18646	37.6
284.19687	95.7
322.21262	1.8
329.53745	1.2
350.20657	5.8
368.21756	25.5
385.24457	67.9
417.27118	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89147	0.8
56.05038	4.5
56.74150	0.9
60.05636	1.1
67.05508	1.7
69.04549	1.6
69.07091	1.5
71.04980	4.0
72.04516	4.5
74.02455	1.4
74.06090	7.8
79.05510	1.3
81.07069	4.1
82.06609	1.1
93.07047	2.2
96.05623	27.7
99.07981	1.2
102.05519	2.2
108.05618	2.3
110.07173	2.2
111.35596	0.8
116.08212	8.1
118.05027	2.0
120.06601	2.0
121.10184	1.5
122.07123	1.7
123.11822	1.1
128.08220	4.7
138.12770	5.2
139.11157	0.9
142.09796	1.4
147.11711	1.2
152.11888	1.0
159.11716	1.4
166.12257	1.5
172.11113	1.0
206.16547	5.2
226.18042	4.2
234.16028	17.3
252.17186	1.7
266.18729	4.4
267.09698	1.0
268.20285	3.5
284.19690	50.9
284.22937	1.7
310.11356	1.0
316.22342	5.3
340.22571	1.2
368.21970	3.4
385.24469	34.5
385.29361	1.7
417.27094	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69700	1.4
56.05040	8.7
60.05642	1.8
67.05518	1.8
69.04561	5.6
69.07054	3.3
69.08369	1.3
71.04976	2.4
72.04522	7.6
74.02464	2.3
74.06082	8.7
74.06609	1.2
76.05141	8.1
77.82712	1.3
81.07074	2.6
84.05636	5.1
88.37617	1.4
93.07011	1.9
95.08609	2.3
96.05613	31.5
102.05551	2.8
107.08614	3.2
108.05615	3.2
110.07162	2.3
114.06654	5.5
116.08229	12.5
118.05009	8.1
120.06572	3.2
122.07125	1.5
127.75278	1.6
128.08192	2.7
152.14366	2.4
160.07147	3.0
167.06935	1.4
177.09866	10.7
182.15474	1.7
200.16486	1.7
215.27017	1.3
220.18121	2.8
224.16510	1.7
226.17990	5.6
236.13417	1.7
248.17564	19.6
259.70700	1.5
266.18631	9.5
268.20166	2.3
274.87518	1.4
284.19724	50.7
284.22888	1.7
316.22568	1.8
340.22217	5.8
368.21625	2.5
385.24509	32.9
417.27484	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32709	0.5
55.05516	1.1
57.07059	0.7
67.05507	3.2
69.03429	0.6
69.07066	3.8
70.54282	0.6
71.76141	0.6
79.05498	1.0
81.07070	6.5
83.08606	1.1
89.86132	0.6
90.72415	0.5
91.05461	1.1
92.21304	1.1
92.39026	0.6
93.07050	6.2
95.08604	10.0
97.10179	0.7
105.06416	0.7
105.07037	5.8
107.08598	7.2
109.10156	8.2
117.07032	1.1
119.08573	12.6
121.10143	8.3
123.11723	1.4
131.08589	3.4
133.10130	6.2
135.11719	3.2
140.77698	0.7
143.08604	3.8
145.10143	12.0
146.16467	0.7
147.11699	9.5
149.13246	3.4
155.08537	1.2
157.10120	6.6
159.11699	7.1
161.13252	5.2
163.14821	0.7
167.07007	1.0
169.10097	4.5
170.10931	0.7
171.11678	7.6
173.09702	0.7
173.13278	6.1
175.11238	0.6
175.14877	3.0
181.10094	0.8
183.11734	4.0
185.13216	5.5
187.14827	6.7
195.11708	1.4
196.12476	0.9
197.13316	3.2
199.14819	6.5
201.16397	2.7
207.11728	1.2
209.13274	4.2
211.14816	10.3
213.16432	4.1
215.14365	1.0
215.18004	0.9
221.13187	1.3
223.14876	3.4
225.16428	3.9
227.18048	1.4
229.15771	1.0
235.14815	3.3
237.16406	4.2
239.17946	2.7
241.19528	0.8
249.16382	2.8
251.18018	4.0
253.19704	1.0
261.16376	1.2
263.17947	3.2
265.19583	2.4
275.18100	0.9
277.19601	2.6
279.20767	0.8
281.19125	1.0
289.19574	1.0
291.21133	1.3
293.18903	0.9
293.22522	0.9
297.21930	0.8
303.21194	1.5
317.22668	1.6
317.26700	0.7
335.23645	1.1
343.24283	1.1
347.23645	0.7
357.25598	0.8
359.27313	7.7
361.25201	1.5
375.26791	1.0
399.30447	7.4
417.31525	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	1.4
55.14981	0.8
57.07062	1.1
66.74592	0.8
66.90090	0.7
67.05505	6.1
69.07066	6.0
72.75548	0.8
75.82706	0.9
79.05511	1.1
81.07054	5.3
83.08601	1.3
83.52518	0.8
90.95646	0.8
91.05466	1.4
92.18871	0.9
93.07044	5.8
95.08627	12.1
100.01222	1.0
105.07031	10.3
105.07601	0.8
107.08582	9.7
109.10155	17.5
117.07039	3.4
119.08579	20.7
120.08897	3.7
121.09372	1.0
121.10108	7.0
123.11697	1.7
131.08580	10.9
133.06519	1.4
133.10136	11.7
135.08046	1.3
135.11687	3.8
143.08577	1.8
145.10114	22.6
147.11697	5.5
149.13268	3.4
151.04062	1.0
157.10094	8.8
159.08052	2.0
159.10399	1.4
159.11652	11.5
161.09578	1.0
161.13272	6.0
163.14796	1.1
169.10088	3.5
171.11667	8.8
173.13210	9.4
175.11197	1.0
175.14813	4.6
177.12555	1.0
181.10194	1.4
182.10905	1.1
183.11714	3.2
185.13191	10.6
187.11201	1.6
187.14815	43.8
189.16431	4.5
195.11623	1.8
197.13327	3.4
199.14873	6.8
201.16391	7.2
209.13286	1.2
211.14862	3.4
213.12700	1.4
213.16420	2.0
215.14310	23.2
215.17993	2.1
223.14796	1.6
225.16382	2.0
227.17870	1.3
229.15907	6.0
235.14754	1.1
237.16461	2.1
243.17427	4.5
249.16248	1.1
251.18030	1.5
254.99672	1.0
261.16327	1.1
281.19077	1.3
315.20789	1.1
334.64270	1.0
343.24417	1.4
361.25507	0.9
399.30478	8.0
404.63474	0.9
417.31522	100.0
422.71133	1.0
435.26437	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	417.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36680	0.5
55.05514	1.0
57.07074	0.6
62.89094	0.5
65.31622	0.5
65.74186	0.5
67.05521	5.0
69.03416	0.8
69.07072	3.7
71.45490	0.6
72.37421	0.5
79.05509	1.4
81.07056	6.4
83.08619	0.8
85.06585	0.6
93.07050	4.0
95.08609	9.7
97.10172	1.4
105.07034	4.8
107.08599	8.8
109.10157	16.3
111.08105	0.7
117.10653	0.6
119.08585	10.9
121.10134	4.7
123.08077	0.9
123.11739	1.3
125.09643	1.4
131.08574	2.8
133.10104	5.6
135.08107	0.8
135.11717	2.8
143.08607	2.5
145.10126	10.0
147.11696	6.1
147.12701	0.6
149.13303	2.2
157.10159	3.8
159.08070	1.0
159.11691	5.9
161.13248	3.8
163.14812	1.4
167.07025	3.3
169.10147	4.7
171.11678	6.8
173.09595	0.7
173.13324	4.6
175.11073	0.7
175.14757	4.3
181.05003	0.9
181.10147	0.7
183.11711	3.4
185.13228	4.6
187.14867	5.9
189.16432	0.8
193.10100	0.8
195.11691	1.0
197.13290	3.5
199.14854	3.4
201.16399	1.3
203.18077	0.8
207.11731	0.9
209.13316	2.4
211.14798	4.7
213.12788	0.7
213.16312	1.0
215.14407	6.3
221.13371	0.9
223.14877	2.5
225.16425	2.2
229.15816	1.3
233.13568	0.8
235.14879	1.5
237.16385	3.2
239.17978	2.6
241.19530	0.9
247.14735	0.7
249.16415	3.1
251.18088	3.0
253.15758	0.8
263.17963	0.9
265.19482	1.3
267.17331	0.8
267.21109	0.8
269.19220	0.9
277.19373	0.8
278.20313	0.7
279.17661	0.7
281.19046	1.0
287.17865	0.7
291.21161	0.9
293.19003	0.8
303.21304	0.8
305.22833	0.8
309.21994	1.0
317.22556	0.9
335.23337	0.8
343.24155	1.0
347.24078	0.7
359.27475	2.2
361.25226	2.9
375.26746	1.0
399.30618	5.9
417.31534	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.9
67.05511	4.0
67.40821	0.4
69.07071	4.1
73.08871	0.4
79.05486	1.8
81.07063	8.2
83.04977	0.7
83.08609	0.7
83.91897	0.4
91.05472	2.2
93.07037	5.4
95.08604	10.3
97.10140	0.6
101.15157	0.5
105.07033	7.0
107.04980	0.4
107.08594	9.5
109.10158	15.7
117.07011	2.0
119.08572	15.3
121.10128	7.4
123.08055	0.6
123.11699	3.1
125.09676	0.5
129.06953	0.7
131.08559	7.3
133.10135	9.9
135.07993	0.9
135.11679	3.8
143.08569	5.0
145.10121	17.1
147.11687	6.8
149.13274	3.1
155.08511	0.9
157.06519	0.5
157.10120	8.6
159.08051	1.8
159.11681	8.5
161.09595	0.8
161.13229	4.8
163.14771	0.9
169.10126	5.9
170.10910	0.5
171.11687	10.5
173.09624	1.9
173.13272	9.7
175.11214	0.6
175.14819	4.1
177.12733	0.9
181.10114	1.8
183.11763	3.7
185.09677	1.0
185.13239	8.3
187.11191	1.1
187.14804	19.9
189.16380	2.8
195.11740	2.6
197.13251	2.9
199.11250	0.5
199.14822	7.7
201.12778	0.8
201.16354	4.0
207.11736	0.6
208.12523	0.6
209.13216	2.8
211.14850	4.0
213.12860	1.1
213.16432	3.0
215.14322	10.6
215.17909	0.8
217.15889	0.7
221.13281	1.0
223.14778	4.0
225.12770	0.7
225.16341	3.7
227.14296	0.7
227.17935	2.3
229.15892	2.5
233.13219	0.6
235.14830	2.3
237.16379	3.0
239.17976	1.9
241.15805	0.6
241.19545	0.7
243.17464	1.9
247.14816	0.6
249.16269	0.9
251.17859	2.5
253.16025	0.5
253.19409	1.7
255.17412	0.7
263.17804	1.8
265.19446	0.9
267.17371	0.7
273.16385	0.6
275.17957	1.1
277.19641	0.6
279.21115	0.7
281.18924	2.8
283.20486	0.7
289.19489	1.0
291.21143	0.9
293.19092	0.7
295.20578	0.9
305.22696	0.5
307.20450	0.7
309.22214	0.6
317.22714	0.9
319.24014	0.7
321.21988	0.6
331.24350	0.7
333.25641	0.6
343.24194	2.0
347.23712	0.6
359.27463	4.5
361.25247	2.6
375.26624	0.5
389.32300	0.8
399.30493	7.3
402.29245	0.9
412.49533	0.5
417.31494	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97229	0.2
60.04536	2.2
63.32219	0.2
84.94329	0.3
89.59953	0.2
90.94214	0.2
96.05602	0.4
118.27579	0.3
118.53061	0.2
125.08253	0.2
129.01773	0.3
139.79196	0.3
200.33293	0.3
217.17302	0.2
229.57903	0.3
230.51808	0.3
278.75037	0.3
284.19620	0.5
285.19925	1.7
292.09589	2.1
318.07660	0.6
320.09174	100.0
323.65503	0.3
369.22281	0.3
386.24728	2.0
418.12851	29.1
418.27588	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	418.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
63.81930	0.3
87.95496	0.3
92.21129	0.4
108.08930	0.3
109.10179	0.3
113.54926	0.3
119.08546	0.5
121.10139	0.3
133.10078	0.3
136.42207	0.3
150.03563	0.3
183.34547	0.3
206.57758	0.3
272.50845	0.3
292.09634	2.4
320.09183	100.0
377.14868	0.5
418.12845	27.2
418.31747	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	418.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64784	0.2
56.25742	0.2
59.96513	0.3
69.07061	0.2
84.69729	0.2
86.09694	0.3
107.08606	0.3
138.05472	0.3
150.93303	0.2
167.07088	1.2
181.05009	0.4
182.05334	0.4
292.09625	2.3
320.09183	100.0
382.91052	0.3
418.12814	29.1
418.31931	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	418.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
63.81930	0.3
87.95496	0.3
92.21129	0.4
108.08930	0.3
109.10179	0.3
113.54926	0.3
119.08546	0.5
121.10139	0.3
133.10078	0.3
136.42207	0.3
150.03563	0.3
183.34547	0.3
206.57758	0.3
272.50845	0.3
292.09634	2.4
320.09183	100.0
377.14868	0.5
418.12845	27.2
418.31747	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	418.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37128	0.2
56.69805	0.3
59.07042	0.2
62.44909	0.2
65.80055	0.2
69.73152	0.3
73.55278	0.2
86.46680	0.3
92.21507	0.3
101.64174	0.3
111.01923	0.3
117.48649	0.3
169.27885	0.3
181.21611	0.3
233.48560	0.3
246.90266	0.3
271.95654	0.3
292.09595	2.5
318.07547	0.3
320.09177	100.0
418.12854	27.9
440.19821	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	418.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03381	1.2
55.05521	89.6
58.18533	1.0
70.06575	2.0
72.08156	5.8
73.06564	25.1
77.01379	1.1
85.02894	4.9
86.09689	6.9
87.04466	1.2
91.07595	66.4
98.03311	1.1
127.16862	1.2
128.07086	7.3
130.06500	1.9
133.71921	1.5
149.02342	100.0
159.09181	2.1
161.09636	1.4
167.03352	1.7
167.07008	6.1
168.07339	5.5
174.06297	1.9
188.06995	1.6
191.99019	1.1
221.08058	31.0
239.09119	26.8
243.13419	2.5
258.59436	1.2
313.86078	1.3
346.25732	1.5
418.17288	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	418.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60131	0.2
54.03666	0.2
55.05514	2.5
56.05069	0.3
57.77584	0.2
60.05650	3.0
62.06078	0.3
62.26208	0.3
65.03940	0.3
68.19254	0.3
69.03415	0.4
69.31119	0.3
70.06589	0.7
70.72393	0.2
72.08143	0.6
73.06558	2.0
84.08138	0.5
84.96043	0.4
85.02910	2.2
86.09704	2.3
87.10049	0.3
91.05487	0.4
93.33435	0.3
100.17116	0.3
105.01865	0.3
107.04974	0.4
109.02856	0.3
110.07157	0.4
119.04942	1.3
120.08121	0.5
121.02880	0.5
127.03890	0.4
129.10239	0.4
135.08057	0.4
137.05956	0.6
147.04420	0.5
149.02336	100.0
151.07529	0.7
156.35817	0.3
161.05951	1.3
162.13916	0.3
167.03345	0.6
169.06544	0.2
175.07542	3.5
201.12358	0.3
203.07004	3.4
206.70930	0.3
221.08083	33.3
239.09102	4.7
256.06671	0.6
288.35446	0.3
306.49921	0.3
418.19678	1.7
418.24380	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	418.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.9
55.04585	2.1
57.03437	4.2
59.66090	2.1
65.74503	2.7
68.92983	2.1
69.03429	26.6
70.06598	5.2
71.04953	2.4
71.26837	2.0
73.02900	9.6
74.18795	2.0
77.65405	2.3
79.10094	2.5
81.03436	18.2
85.02907	100.0
86.09705	13.2
87.00837	33.5
90.12955	2.4
91.40247	2.4
97.02891	32.9
97.19742	2.4
99.04449	22.9
103.03934	3.6
105.01874	57.0
107.04983	4.1
109.02877	31.9
116.07087	3.8
127.03915	76.6
129.01857	3.8
131.04915	3.4
133.57483	2.4
135.08105	6.0
145.02797	2.6
145.04942	18.3
149.05923	3.8
159.02863	16.9
166.58958	2.6
173.05925	4.6
177.05466	9.8
189.03873	20.8
195.10246	5.2
219.10216	18.3
231.04965	17.3
243.10173	11.7
249.05995	10.6
261.11212	13.7
347.11148	10.0
383.12943	3.5
418.11685	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	418.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49478	0.6
52.54638	0.7
53.73542	0.6
55.05530	0.8
57.03432	5.1
58.91551	0.7
59.05012	1.1
61.02941	0.8
69.03433	17.1
70.06584	2.9
71.57736	0.7
72.08158	15.7
73.02933	0.9
74.06097	0.9
77.07803	0.8
77.15379	0.6
81.03419	1.4
83.06104	0.8
84.04517	1.6
84.08154	1.3
85.02901	16.2
86.09709	9.5
87.04477	16.7
97.02898	25.2
101.02364	0.8
101.07162	0.9
106.06564	49.9
110.07169	6.6
115.03927	9.7
124.07590	100.0
126.06463	0.9
127.03951	1.4
127.08686	3.3
129.06656	1.3
129.10252	1.2
130.05014	1.7
133.04976	6.9
133.06017	1.3
136.02531	0.7
141.10233	3.6
147.07779	1.3
169.09743	1.4
169.11996	0.7
173.05597	0.9
179.10730	1.0
186.12401	11.2
196.14499	1.8
214.10110	0.7
214.11797	6.1
220.05984	1.4
285.15732	0.9
286.12854	18.6
313.18600	1.7
400.12180	1.2
400.21921	1.4
411.99799	1.0
418.17059	20.5
418.23019	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	418.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02764	0.3
63.07430	0.3
68.60178	0.4
73.06555	0.9
79.05518	0.4
85.74195	0.4
86.09723	0.7
103.05480	1.8
120.08104	100.0
129.10240	0.6
131.04921	3.8
149.05992	2.6
166.08627	50.6
234.55661	0.4
347.95441	0.4
436.45840	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	418.222
Annotation	Myxopyronin A
Peak:m/z	Relative Intensity
52.11426	0.5
55.01877	0.6
55.05512	2.2
56.28712	0.5
57.03432	1.2
61.02938	1.0
65.64711	0.5
67.05495	2.5
69.03431	11.8
69.07064	3.8
71.08605	0.9
73.10297	0.6
75.33932	0.4
79.05511	1.1
81.03415	2.3
81.07056	3.5
83.04981	3.4
83.08624	4.2
85.02900	2.7
85.06501	0.5
87.04440	0.9
91.05470	0.8
93.07036	11.2
95.08611	3.2
97.10165	1.3
99.04468	0.8
105.07033	100.0
109.10136	3.0
111.04428	3.5
111.11767	0.5
117.82172	0.5
119.04958	2.3
119.08569	1.0
121.06501	41.7
123.11717	1.0
125.13286	0.5
129.05447	4.2
134.61769	0.5
135.37730	0.7
137.13260	0.8
147.06554	4.2
161.13239	0.7
181.81017	0.5
198.18500	0.8
263.23773	0.9
267.12244	6.0
280.26273	4.2
281.10358	0.8
298.27322	5.4
299.25668	0.7
310.63657	0.6
321.95825	0.7
387.18002	19.4
418.22028	3.1
418.27936	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	418.2295
Annotation	CHEBI:61626
Peak:m/z	Relative Intensity
56.05043	1.3
60.04534	46.7
69.03444	1.3
70.02959	10.5
70.06595	1.9
72.08157	2.7
74.06087	1.4
80.71697	0.9
84.04517	14.5
84.08143	23.8
85.02862	4.4
86.09711	100.0
87.05640	1.2
92.05013	1.6
97.02891	1.6
101.07149	2.7
105.06628	15.0
108.08117	7.3
110.06031	8.2
110.07176	1.4
124.63637	1.3
127.03877	2.5
129.06549	1.4
129.10249	30.2
130.05008	49.6
134.11705	1.2
143.11797	2.1
147.07649	66.7
150.05499	4.9
152.07094	11.1
157.13354	49.4
168.06541	1.5
170.04472	15.5
170.08125	2.0
171.07663	4.8
173.12807	1.3
181.06100	5.2
183.11163	1.3
185.12842	10.8
186.12262	1.9
189.08725	1.8
199.07179	15.0
200.05667	2.0
200.14034	1.6
201.12302	1.3
204.22408	1.4
211.10889	1.6
216.09746	11.2
217.08217	20.7
226.15250	1.4
227.06641	2.1
234.10832	89.2
244.09535	1.7
272.16022	5.9
310.60928	1.3
329.18195	1.9
389.74988	1.4
400.21851	16.2
418.13858	6.6
418.21921	29.5
418.26880	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	418.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08789	1.0
55.01886	1.2
55.05523	2.9
56.91438	1.0
57.84938	1.1
59.64011	1.1
63.40399	1.1
64.43483	1.2
67.05511	13.6
67.11903	1.3
69.07059	5.8
79.05485	8.4
79.05886	1.3
81.07070	17.7
83.04977	1.8
83.08603	6.4
91.05457	7.4
93.07053	14.5
95.04939	2.3
95.08607	24.4
96.05682	1.4
97.10171	2.4
98.08645	1.4
105.07049	11.3
107.08583	17.0
109.10159	11.7
111.08086	6.1
114.09174	6.9
117.07037	3.1
119.08590	14.6
121.06497	1.4
121.10147	18.3
123.08090	5.5
123.11668	2.2
125.09624	2.2
129.07025	1.5
131.08553	12.1
133.06509	1.9
133.10121	12.7
135.08066	7.5
135.11697	11.3
137.09546	3.1
143.08553	2.2
145.10127	14.8
147.08092	2.3
147.11700	8.3
149.09608	5.9
149.13295	1.7
157.10147	5.2
159.11661	6.5
161.09602	12.1
161.13281	2.7
163.11168	6.6
165.09088	2.0
167.06982	1.3
171.11673	5.7
173.13205	2.2
175.11211	6.1
177.12785	1.6
184.13367	2.0
185.13263	5.0
187.11151	1.7
189.12779	1.8
195.11729	1.6
201.16451	2.9
203.17950	2.0
219.17413	3.0
237.16275	1.7
244.15453	5.1
245.18948	12.2
247.17003	1.8
255.17422	2.3
261.18335	2.0
263.20114	2.4
266.71121	1.5
273.18472	24.6
291.19598	9.4
307.15210	1.4
317.51743	1.6
320.09164	12.7
321.20535	1.9
347.22128	19.7
365.23224	100.0
383.24304	28.7
386.24615	2.4
418.16321	6.2
418.27359	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	418.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	4.4
55.05515	13.8
57.03439	6.8
62.12154	3.0
67.05178	4.1
67.05513	71.1
69.07066	80.8
71.05001	4.2
72.77732	3.1
79.05492	19.5
81.07066	35.2
83.08630	6.2
85.06545	4.0
91.05452	23.0
91.69049	3.7
93.07033	22.2
95.04967	3.1
95.08611	30.6
97.06527	6.6
98.09528	3.3
105.07023	19.8
107.08585	22.0
109.10152	100.0
111.08085	5.4
117.07006	6.1
119.08585	28.0
121.10148	14.3
131.08572	14.2
133.10112	22.6
135.11736	7.1
137.09633	7.1
138.54129	3.2
145.10110	14.7
147.11697	7.1
148.90173	3.4
149.09641	15.0
155.10724	6.0
159.11665	7.9
161.13249	4.6
163.11070	5.4
171.10130	6.8
173.11722	21.3
173.13124	4.9
229.14348	80.8
253.18085	6.0
275.20044	17.7
349.23734	61.1
367.24628	5.8
383.24222	44.7
390.17844	14.4
397.13953	3.8
418.21857	9.3
418.28061	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	418.329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82919	1.0
57.07086	2.3
60.09088	0.8
62.18402	0.9
65.17782	1.1
66.29992	0.9
70.06602	12.1
86.09712	1.5
88.07631	6.1
102.09168	4.6
120.08422	1.1
132.10207	7.4
146.11760	9.4
174.23914	1.1
268.29877	1.7
294.31689	1.3
302.21121	2.7
302.24521	75.5
312.32556	29.9
315.70422	1.2
356.35226	53.0
413.55499	1.1
418.32843	82.2
418.38831	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	4.6
57.07077	2.6
58.06604	10.5
60.04529	1.1
62.57347	1.1
66.02941	1.0
71.08623	2.0
74.06082	6.7
75.08326	1.0
77.23018	1.0
85.10175	1.2
86.06081	8.1
88.07627	23.0
104.07130	6.5
107.28253	1.2
108.69249	1.1
118.08631	2.1
132.10162	8.3
162.11267	2.7
166.10776	1.7
283.89752	1.3
309.24741	1.2
309.96448	1.3
326.34186	48.4
338.33969	4.1
370.36761	17.2
389.75275	1.3
405.55164	1.3
418.38913	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76649	1.4
53.00325	1.7
53.03951	9.1
55.01876	12.5
56.05028	2.1
57.03434	9.3
58.21690	1.4
60.04511	1.7
61.02932	9.8
68.99795	2.5
69.03437	31.1
69.47540	1.4
70.06586	6.8
71.04984	7.2
72.08161	10.0
73.02912	14.6
74.06082	10.6
74.96187	1.5
76.05760	1.4
81.03423	31.7
84.04498	3.2
84.08107	1.5
85.02911	100.0
86.09709	53.8
87.00835	37.4
87.04504	2.4
91.03967	3.6
94.36543	1.6
97.02900	35.1
99.04460	25.9
101.07150	2.7
102.05547	9.3
103.03954	3.6
105.01875	34.8
107.04939	15.2
109.02192	2.9
109.02884	39.1
110.07178	2.2
111.04433	9.7
117.01862	2.8
125.06004	3.1
126.05537	1.7
127.02993	2.5
127.03918	69.3
129.01813	16.9
129.10168	2.0
135.04428	7.1
139.03908	63.5
140.07037	9.1
145.03960	2.7
145.04984	28.7
145.06163	2.0
145.06418	1.4
147.02867	8.4
149.02327	2.0
153.05417	2.7
159.02882	32.4
163.03889	36.7
168.06540	2.6
171.02855	2.3
171.06496	56.0
171.07796	3.7
177.05464	7.0
181.04968	12.3
183.06496	2.0
189.03957	8.8
189.06111	2.4
189.08647	6.5
189.12321	8.4
195.06525	49.7
197.12930	2.6
201.05547	2.0
203.10262	13.3
203.14117	2.2
207.06514	7.7
213.03996	2.4
213.07582	29.2
217.08191	2.7
222.05298	2.8
231.05121	14.2
231.07188	5.9
231.09572	16.8
233.08017	7.6
237.07564	23.2
261.07568	14.7
279.08618	28.8
365.08679	2.2
383.09476	2.9
419.14771	12.5
419.21460	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	419.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.4
69.03408	8.8
69.07054	3.1
70.06597	21.4
72.08131	2.9
76.05127	1.8
81.03397	7.3
81.07043	1.9
85.02888	2.9
86.09705	2.0
90.73954	1.5
93.07016	1.8
95.04903	1.6
95.08596	2.6
96.05567	2.4
97.02856	8.3
99.04417	2.1
105.07005	3.5
109.02838	6.6
119.08543	2.4
120.08059	9.4
121.10071	3.7
127.03851	3.4
145.92656	1.5
147.11626	3.8
159.16211	1.6
161.13196	1.7
169.13403	5.4
171.13689	2.3
186.53511	2.1
187.48778	1.7
189.12689	3.3
201.12556	2.4
213.03882	3.2
229.12172	6.7
237.02785	2.7
259.19733	1.9
293.09100	2.5
345.10547	1.9
365.86655	1.9
387.22018	2.3
419.12848	100.0
419.24274	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	419.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	2.6
70.06593	5.2
72.08173	1.5
84.08155	1.7
86.09697	14.7
95.04997	1.5
95.60428	1.1
98.25333	1.5
98.64397	1.2
98.97569	2.8
108.10808	1.1
116.98549	1.1
122.06062	1.9
129.10242	1.7
132.95845	1.5
136.07520	1.3
158.99681	2.9
164.75056	1.2
173.12813	4.6
175.07494	1.5
177.00801	1.3
201.26819	1.3
219.01750	2.3
234.99031	1.6
235.99237	2.6
237.02864	1.3
237.12320	24.6
257.15024	16.7
266.78842	1.3
291.04102	1.4
305.09128	2.3
376.15414	1.7
378.05716	2.5
419.13034	100.0
431.88287	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	419.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04789	0.3
60.05692	0.3
61.87658	0.3
70.06236	0.5
70.06596	10.2
72.08158	2.0
74.06081	0.4
84.08149	1.6
86.09715	2.6
99.85944	0.4
112.58047	0.3
120.08112	4.1
130.08659	0.5
147.11275	0.4
159.09221	1.4
173.06715	1.3
173.09195	11.6
175.07484	0.6
185.04356	0.4
185.06847	0.3
187.08644	0.5
191.07651	0.8
225.17839	0.3
241.21919	0.4
257.07932	1.2
275.11023	7.2
293.10956	0.6
317.11465	0.7
329.08466	0.6
335.11960	2.3
354.94440	0.4
357.15237	14.2
359.13135	8.5
401.14084	1.5
419.15219	100.0
441.54855	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	419.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49904	0.4
53.00306	0.6
53.03968	3.9
53.04166	0.5
55.05514	0.8
57.03437	2.4
57.07087	4.3
61.02933	1.0
63.89891	0.4
67.05511	3.5
67.40159	0.4
69.03436	14.4
69.07074	3.2
71.04996	4.7
71.08643	5.4
72.96071	0.4
79.05493	1.0
81.03429	24.1
81.07063	6.5
83.01387	0.4
83.04990	0.6
83.08607	0.6
85.02911	49.4
91.05490	2.3
93.07043	2.8
95.08609	5.3
97.02896	5.1
97.10183	2.0
99.03814	0.9
99.04460	26.1
99.08107	0.5
102.99229	0.4
103.03951	52.0
105.07021	3.5
107.08594	3.0
109.02886	24.8
109.06542	0.7
109.10188	5.9
111.08114	0.5
115.13748	0.5
119.08610	3.2
121.10149	3.6
123.11741	4.2
127.03922	100.0
133.10138	2.2
135.08092	1.8
135.11681	1.0
136.06232	0.6
139.83641	0.4
143.08640	0.5
145.04951	11.5
145.10130	3.0
147.11703	9.4
157.10127	1.9
159.11728	2.3
161.13268	1.0
163.06021	2.4
165.12723	5.0
169.10097	0.6
171.11732	0.9
173.13301	1.1
175.14850	0.7
177.12793	0.5
181.10185	0.5
183.11714	1.1
185.13283	1.0
187.06027	7.6
187.14787	1.0
197.13252	1.1
199.14784	0.5
201.16399	0.8
204.18254	1.7
213.16411	0.8
223.14929	0.7
229.14313	4.7
234.11232	1.8
251.20020	0.5
253.07146	2.7
253.19441	0.7
271.08054	4.1
289.09229	2.0
317.19778	1.2
321.09494	1.1
337.16455	3.0
355.17639	2.0
359.16058	0.5
373.18460	0.6
383.24591	0.6
391.33490	0.6
401.32080	0.9
411.23773	0.5
419.24341	0.8
419.33090	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	419.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12508	0.3
52.31724	0.2
55.05526	0.5
60.04537	0.5
60.97295	0.3
62.99325	0.3
63.49972	0.3
64.43040	0.3
70.06596	78.2
72.08163	14.3
74.06084	3.9
77.03969	0.3
84.04566	0.4
86.09712	3.6
89.03817	0.4
93.01937	0.3
94.01609	0.3
94.51371	0.3
95.06125	0.4
103.05441	0.5
119.49427	0.4
120.08107	40.5
129.10233	0.3
130.06190	0.3
164.84270	0.4
168.35313	0.4
173.09215	100.0
187.14407	1.6
189.08774	0.4
201.12344	0.5
215.13899	1.4
219.14996	4.9
247.14410	3.3
291.35400	0.4
312.14301	0.4
356.76581	0.3
377.07401	0.4
383.22455	0.4
419.15207	5.4
419.24234	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	419.25
Annotation	4,4'-(Diphenylethenylidene)bis[N,N-dimethylbenzenamine]
Peak:m/z	Relative Intensity
50.42305	0.6
55.05516	0.9
56.05037	3.9
58.04074	0.7
60.04512	0.8
60.05643	1.1
67.05508	4.8
70.06599	4.8
71.05009	1.0
72.04520	6.1
72.08154	1.1
74.02442	1.5
74.06084	5.4
76.05135	26.8
79.05502	1.3
80.05019	4.9
81.03423	5.0
81.07056	1.7
83.08641	3.1
86.09698	3.4
88.67236	0.8
91.05493	1.3
93.07044	1.0
95.04948	1.4
95.08583	0.9
96.05617	35.6
97.10172	1.2
98.07177	3.6
99.14078	0.8
102.05532	4.0
105.07023	1.4
109.10157	5.0
111.08107	1.7
114.06660	0.9
116.08235	3.6
118.05000	6.9
119.08595	1.8
120.06580	1.5
121.10188	1.0
122.07151	0.8
125.09646	1.2
128.08197	11.4
133.10190	1.0
135.07718	1.0
139.80626	0.8
141.68526	0.9
147.11737	3.3
149.02356	3.2
150.02689	1.3
157.10168	1.0
159.08817	1.0
160.07158	8.8
165.12804	0.9
169.13272	0.9
173.11642	1.1
175.11197	1.4
177.09799	8.7
192.13921	3.2
193.12230	10.2
204.14879	1.1
210.14879	3.2
211.13271	8.0
232.14507	6.2
234.16260	0.9
268.16614	3.3
286.17563	17.6
318.20432	1.6
342.19965	1.3
387.22299	27.4
419.25009	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
62.26319	1.6
67.97855	1.7
72.55117	1.9
78.68454	1.7
81.56929	1.7
85.85330	1.6
92.21127	1.8
98.97579	11.6
102.78284	2.0
113.44022	1.9
116.98638	11.2
127.43667	1.9
134.99667	2.5
140.10728	2.8
159.82878	1.8
166.48959	1.7
205.48395	1.8
218.38884	1.8
242.28185	1.9
318.20996	9.3
334.20569	3.0
336.22086	52.3
378.23080	46.7
387.25089	2.2
401.26672	19.0
419.27655	100.0
419.32605	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	419.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80194	0.4
79.98579	0.4
83.01110	0.7
94.40523	0.5
97.39749	0.4
98.97549	0.4
112.05019	0.5
127.03680	0.8
140.10689	1.9
142.09665	0.4
153.68918	0.4
153.71490	0.5
155.06734	1.1
157.13350	0.9
171.06244	0.6
182.75298	0.4
222.90807	0.4
261.17273	0.4
293.13580	3.8
333.16595	0.7
336.22177	2.5
355.21817	0.5
377.90002	0.4
378.23151	2.0
419.27676	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	419.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92092	1.9
57.15004	1.8
61.66567	1.8
66.98725	1.9
71.68703	2.0
72.44331	1.8
73.71673	2.0
81.74567	1.9
92.69485	2.1
92.71497	2.0
115.17593	2.2
120.49251	2.4
419.31396	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3305
Annotation	8'-apo-beta-Carotenol
Peak:m/z	Relative Intensity
50.96792	1.3
54.94761	1.3
67.05501	3.6
69.07066	7.0
71.05003	1.9
77.45753	1.4
78.42580	1.5
81.07040	8.0
83.08634	1.7
87.56922	1.4
93.07056	3.0
95.08596	16.4
107.08596	9.4
109.10149	20.5
117.06992	1.8
119.08589	7.9
121.10162	6.9
123.11688	13.9
127.11229	2.9
133.10112	3.3
135.11703	3.8
141.12685	5.5
143.08528	3.0
145.10135	8.6
147.11694	9.3
155.08553	1.9
156.09331	1.7
157.10165	3.2
159.11676	3.6
161.13258	3.1
169.10124	7.9
171.11702	10.7
173.13312	3.0
175.14842	2.8
183.11662	21.3
185.13260	18.0
187.14809	3.0
195.11717	2.4
197.13289	9.9
199.14792	4.0
201.16483	1.9
209.13261	3.5
211.14780	3.2
215.17879	2.6
223.14861	7.1
224.51947	1.6
225.16418	8.4
237.16463	13.2
251.17955	8.9
265.19693	2.3
277.19583	1.9
279.21005	2.1
292.22043	1.9
319.24091	1.9
365.93164	1.9
384.25021	1.7
401.32050	7.3
419.33054	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3305
Annotation	8'-apo-beta-Carotenol
Peak:m/z	Relative Intensity
67.05502	3.9
69.03417	1.6
69.07062	8.3
81.07053	10.6
91.29802	1.7
92.21571	1.9
93.07037	9.4
95.08605	22.7
105.07037	10.1
107.08582	13.9
109.10159	22.4
111.24483	1.6
119.08593	14.7
121.10165	8.7
123.11708	3.0
130.40009	1.6
131.08533	3.0
133.10143	7.2
135.11690	6.8
143.08557	3.4
145.10092	22.5
147.11699	9.4
149.13293	2.5
153.26158	1.7
157.10110	8.1
159.11707	11.4
161.13271	8.2
163.54884	1.7
169.10062	3.6
171.11662	9.0
173.13301	16.9
175.14761	6.8
183.11655	2.3
185.13217	7.5
187.14822	10.1
189.16373	2.3
195.11568	1.8
197.13235	2.4
199.14853	6.9
201.16440	6.3
209.13197	2.8
211.14818	3.5
213.16362	3.4
223.14880	2.2
225.16359	3.5
227.17995	3.8
237.16377	2.9
239.17880	9.1
243.41496	2.0
251.17940	2.7
253.19548	2.0
265.19510	2.2
307.93982	1.7
320.24377	1.9
329.63437	2.2
361.28802	7.4
374.26666	2.0
375.30429	2.0
401.32101	12.8
419.33044	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3306
Annotation	8'-apo-beta-Carotenol
Peak:m/z	Relative Intensity
55.05518	1.7
57.35522	0.8
62.46319	0.7
67.05501	3.5
68.89477	0.7
69.07064	3.6
75.85737	0.7
81.07056	5.1
83.08630	0.9
89.26248	0.9
91.05484	1.5
93.07034	6.5
95.08611	17.4
102.19511	0.7
105.06387	0.9
105.07030	5.1
107.08588	9.1
109.10170	15.2
119.08582	9.5
121.10146	7.8
123.11678	1.7
131.08553	5.1
133.10120	5.9
135.11720	4.4
141.09636	0.8
143.08562	3.6
145.10118	9.2
147.11656	9.2
149.13260	5.4
155.08492	1.1
157.10153	4.2
159.11723	8.5
161.13269	4.8
163.14816	1.2
169.10042	1.5
171.11682	8.1
173.13269	11.6
175.14847	4.1
179.68544	0.9
183.11684	4.2
185.13310	6.7
187.14790	6.3
189.16345	1.0
191.70007	1.0
195.11729	1.4
197.13297	3.8
199.14818	3.8
201.16429	3.4
209.13345	1.8
211.14871	1.9
213.16293	6.8
223.14796	2.0
225.16418	4.8
227.17982	3.3
235.14778	0.9
237.16388	5.0
239.14388	0.9
239.17940	3.8
241.19490	0.9
241.51535	0.9
249.16357	1.3
251.17915	2.0
253.19484	7.3
263.17978	1.6
265.19504	4.7
267.21011	1.6
279.21136	3.6
289.53476	0.9
291.21143	1.6
297.21973	1.0
309.22141	0.9
319.24179	1.3
323.23792	1.1
337.25583	1.1
361.28720	6.2
363.26776	1.2
391.33517	1.1
401.32025	15.6
419.33084	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3306
Annotation	8'-apo-beta-Carotenol
Peak:m/z	Relative Intensity
55.05516	1.2
64.55950	0.8
67.05503	5.1
69.07064	7.6
69.09145	0.8
71.04990	0.9
79.05490	1.4
81.07048	10.4
83.08636	1.3
91.05502	1.9
93.07059	6.9
95.08609	17.3
105.07040	7.1
107.08579	8.4
109.06531	1.0
109.10166	17.2
114.09145	2.2
119.08574	14.9
121.10155	10.1
123.11716	3.6
125.09695	1.1
127.11209	2.3
131.08582	3.6
133.10120	7.5
135.08043	2.0
135.11670	2.3
143.08571	1.6
145.10114	11.5
147.11726	7.6
149.09752	1.0
149.13289	5.3
155.08575	1.8
157.10120	8.7
159.11703	7.7
161.13243	5.9
163.14888	1.4
165.12704	1.1
169.10149	5.1
171.11693	9.3
173.09669	1.2
173.13254	7.6
175.14810	4.1
181.10153	1.2
183.11682	6.7
185.13303	6.8
187.14850	8.2
189.16341	1.1
192.41264	0.9
195.11684	1.5
197.13283	5.2
198.81943	1.0
199.14865	5.3
201.16379	3.9
203.29793	0.9
205.82489	0.9
209.13240	5.4
211.14799	4.5
213.16382	4.5
215.18018	3.7
221.13177	1.1
223.14850	4.4
225.16399	5.2
227.18015	4.8
235.14737	1.5
237.16429	4.8
239.18015	2.0
241.19560	1.1
243.17506	1.0
248.15842	1.0
251.18025	7.1
253.19519	5.0
263.17957	1.2
265.19629	4.6
267.21103	1.8
277.19476	1.4
279.21265	1.6
291.21207	1.9
292.22052	1.6
305.22552	1.6
307.24182	1.4
309.21970	1.6
323.23663	1.3
331.24097	1.3
345.25607	1.2
349.24344	0.9
361.28909	3.8
363.26910	1.8
377.28259	1.1
401.31961	11.6
419.33078	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3307
Annotation	8'-apo-beta-Carotenol
Peak:m/z	Relative Intensity
55.05508	2.5
62.99703	1.1
63.38285	0.9
67.05500	11.5
69.03419	1.2
69.07075	9.0
71.04961	1.0
79.05486	2.7
81.07056	16.3
83.08610	1.7
91.05484	2.2
93.07034	7.3
95.08604	27.2
96.30651	1.2
97.10186	2.3
105.07016	10.6
106.07372	1.4
107.08581	13.3
109.10155	31.1
117.07046	1.8
119.08569	19.6
120.96002	1.1
121.10159	14.2
123.11681	4.6
125.09594	1.6
127.11142	1.6
127.46212	1.2
129.72476	1.0
131.08563	5.4
133.10100	10.2
135.11687	5.5
137.09676	1.4
143.08557	5.6
145.10118	15.3
147.11703	9.8
149.13277	2.4
155.08589	1.6
157.10110	6.4
159.11670	14.3
161.13248	5.7
163.14810	2.0
169.10118	4.3
170.97174	1.3
171.11697	12.0
173.13210	9.6
175.14845	2.6
183.11641	8.7
185.13280	8.7
187.14853	5.5
195.11659	1.5
197.13246	5.6
199.14835	7.5
199.85867	1.2
201.16418	4.2
203.17940	1.5
209.13222	4.2
211.14851	2.6
213.16423	7.5
215.17863	2.4
223.14941	2.0
225.16373	5.2
227.17877	2.2
235.14899	2.2
237.16431	5.7
239.17862	2.3
249.16371	1.4
251.17848	4.8
253.19513	4.8
261.16562	1.3
265.19553	2.1
279.20972	1.6
293.22726	2.1
333.25562	1.3
350.24130	4.5
361.28986	1.9
384.24515	2.0
401.31842	15.4
419.33093	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3306
Annotation	8'-apo-beta-Carotenol
Peak:m/z	Relative Intensity
55.15839	1.0
59.33957	1.1
59.34312	1.0
60.15014	0.9
63.33783	1.0
67.05502	7.2
69.07059	7.1
81.07074	9.8
81.75971	1.3
83.08614	1.9
91.05498	1.3
93.07040	8.1
95.08608	29.5
97.10173	1.8
105.07050	5.7
107.08597	11.1
109.10166	17.0
115.30928	1.4
117.99432	1.3
119.08577	17.0
121.10160	10.4
123.11741	1.8
131.08575	2.3
133.10138	7.7
135.11691	4.6
135.85115	1.3
143.08604	2.9
145.10147	16.7
147.11697	11.9
149.13234	5.9
155.08611	1.4
157.10103	10.0
159.11722	11.6
161.13275	5.3
163.14780	1.9
169.10161	2.1
171.11693	8.6
173.13249	9.7
175.14745	1.8
183.11723	2.5
185.13208	3.0
187.14807	7.5
189.16321	1.5
197.13214	3.0
199.14838	5.8
201.16408	5.7
209.13161	1.7
211.14816	5.2
213.16328	5.5
215.95461	1.3
223.14917	2.3
225.16402	6.2
227.17928	4.2
237.16371	5.0
239.17957	5.7
245.74129	1.3
251.17847	1.7
253.19514	6.3
255.21169	2.3
259.76990	1.2
265.19592	6.0
267.21173	2.0
279.21088	1.6
331.24210	1.6
361.28833	7.2
401.31943	17.7
419.33072	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3304
Annotation	8'-apo-beta-Carotenol
Peak:m/z	Relative Intensity
55.05527	1.5
57.07080	0.9
59.69709	0.7
63.26096	0.7
67.05507	6.8
69.03432	1.5
69.07062	6.0
70.57117	0.7
72.45953	0.8
74.37178	0.8
79.05503	1.1
81.07058	9.0
83.08627	0.9
93.07040	6.5
95.08607	22.7
97.78165	0.8
101.34822	0.8
105.07026	6.7
106.28310	0.8
107.08596	10.1
109.10164	22.6
119.08587	14.2
121.10165	10.5
122.65343	0.9
123.11691	3.8
125.09683	1.0
125.27735	0.8
129.06920	1.5
131.08551	3.7
133.10136	8.7
135.11673	6.2
143.08597	3.3
145.10132	18.6
147.11671	10.6
149.13284	4.4
155.08575	1.9
157.10112	8.2
159.11696	8.4
161.13251	5.2
163.14807	1.0
169.10123	4.9
171.11685	9.7
173.13246	11.3
175.14821	4.5
177.12788	1.0
183.11740	3.9
185.13228	6.3
187.14822	6.8
189.16501	1.4
195.11713	1.8
197.13246	4.5
199.14824	3.7
201.16432	3.7
203.17947	1.4
209.13269	1.5
211.14815	3.2
213.16342	3.9
215.18001	3.7
221.13330	1.5
223.14850	4.2
225.16383	3.9
227.17911	3.3
229.19666	1.1
235.14790	1.3
237.16385	5.6
239.17989	3.6
241.19536	1.9
249.16383	1.7
251.17932	4.8
253.19397	8.6
265.19574	3.4
267.21033	1.5
277.19617	1.7
281.22650	1.3
289.19501	1.1
293.22491	1.4
346.45941	1.1
359.26929	1.0
361.28897	6.3
401.32071	12.1
419.33078	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.3
55.37411	0.8
55.47342	0.8
63.42107	0.7
67.05518	5.5
68.30594	0.9
69.07068	6.1
71.04469	0.8
71.04968	0.8
76.54797	1.0
81.07063	8.3
91.05475	1.3
92.20935	1.0
93.07043	4.7
95.08601	19.5
96.25944	1.0
102.76677	0.8
105.07027	8.5
107.08604	10.2
109.10165	19.3
111.11768	0.9
119.08583	9.2
121.10127	8.3
123.11703	3.3
125.09634	1.2
131.08527	1.5
133.10138	8.3
135.11728	2.0
137.13232	1.4
143.08592	3.6
145.10138	12.3
147.11720	8.9
149.13266	3.6
155.08504	1.4
157.10178	7.2
159.11671	8.9
161.13287	4.8
169.10167	5.8
171.11673	8.4
173.13271	8.6
175.14801	4.4
181.10187	1.4
183.11713	4.0
185.13287	3.9
187.14792	7.4
195.11713	1.6
197.13228	4.0
199.14873	4.2
201.16415	4.3
203.17953	1.0
207.11687	1.7
209.13240	2.0
211.14865	2.1
213.16429	5.5
215.17970	2.0
221.13193	1.4
223.14775	1.5
225.16348	5.0
227.17853	1.4
228.48657	1.1
229.19688	1.1
236.15628	0.9
237.16447	4.8
239.17972	4.2
241.19576	1.4
249.16435	1.1
251.17915	5.2
253.19513	6.8
255.17444	1.0
265.19495	3.5
267.21133	1.2
277.19464	1.5
279.20850	1.1
290.07654	1.0
291.21127	3.6
293.22733	1.0
307.24304	1.3
361.28967	3.9
401.31982	15.8
419.33099	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	1.3
56.20899	1.0
57.45111	0.8
67.05502	6.1
69.07062	6.7
69.57756	0.9
80.27595	1.1
81.07057	9.4
83.08640	1.2
92.21599	2.3
93.07054	7.9
95.08606	27.8
97.10158	1.3
99.09854	1.2
101.75242	1.1
105.07055	6.9
107.08607	8.2
108.86202	1.1
109.10149	26.2
117.78115	1.3
119.08585	14.1
121.10178	8.0
123.11707	2.7
128.56168	1.2
131.08553	4.4
133.10147	9.4
135.11711	4.9
143.08597	2.0
145.10132	16.6
147.11707	9.3
149.13260	2.4
157.10120	5.6
159.11697	10.1
161.13254	7.3
169.10136	5.8
171.11699	8.2
173.13258	10.1
175.14757	4.3
183.11682	2.5
185.13261	6.0
187.14819	7.9
195.11667	2.5
197.13316	5.0
199.14810	5.8
201.16385	2.6
209.13280	2.2
211.14816	2.2
213.16449	4.5
215.17955	1.3
223.14783	4.4
225.16383	4.4
226.17094	1.5
227.17952	4.2
237.16385	1.9
239.17906	5.7
241.19478	1.4
251.17903	2.4
253.19540	8.9
263.17859	1.2
265.19412	4.8
267.21173	1.3
279.21017	1.8
291.21088	1.7
333.25571	1.3
361.28882	6.2
401.32083	16.7
419.33057	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3307
Annotation	8'-apo-beta-Carotenol
Peak:m/z	Relative Intensity
52.57341	0.4
55.05516	2.3
62.00631	0.5
65.61263	0.4
66.78339	0.4
67.05510	5.0
67.10227	0.4
69.03431	0.9
69.07076	6.5
70.06604	0.7
79.05497	1.9
81.07067	10.1
83.08626	2.0
91.05457	2.5
93.07045	7.4
95.08608	22.6
97.06536	0.9
97.10158	0.8
101.31783	0.5
105.07044	5.7
107.08590	11.6
109.06529	1.2
109.10155	19.6
111.08062	0.6
117.07011	0.6
119.08579	11.0
121.06569	0.6
121.10149	9.9
123.08066	0.5
123.11716	3.2
125.09628	1.0
131.08556	5.1
133.10120	8.7
135.11673	4.8
143.08569	3.6
145.10138	10.7
147.11682	9.0
149.13255	5.0
155.08572	2.2
156.09364	0.6
157.10089	7.5
159.11690	8.5
161.13274	4.7
163.14810	1.2
167.06981	0.6
169.10048	3.5
171.11685	8.9
173.13263	8.6
175.14803	4.9
177.16277	0.9
181.10150	1.0
183.11670	4.3
185.13266	6.8
187.14864	4.7
189.16432	1.1
195.11694	3.4
197.13190	4.6
199.14804	5.2
201.16354	3.9
203.18031	0.7
209.13278	4.9
211.14850	3.9
213.16371	6.1
215.17969	2.0
221.13263	1.8
223.14787	4.4
225.16400	3.4
227.17944	3.3
235.14774	0.8
237.16370	3.0
239.18033	2.7
241.19499	2.8
243.17532	0.7
249.16360	1.0
251.17969	4.0
253.19452	5.3
255.17389	0.6
261.16501	0.6
263.17926	2.1
265.19528	3.6
267.21100	2.9
269.19098	0.6
271.20703	0.6
275.17908	1.0
277.19559	2.0
279.21103	2.7
283.20609	1.8
291.21106	1.1
293.22549	2.1
305.22470	0.8
309.22235	1.0
317.22723	2.1
319.24200	1.1
320.09192	2.0
321.09427	7.7
321.22223	0.6
323.23615	0.8
331.24054	1.0
337.25253	0.6
345.25925	1.9
361.28928	2.8
363.26898	2.0
391.33990	0.8
401.32022	14.7
419.12952	1.0
419.33118	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59296	1.8
55.05510	4.1
57.07081	1.9
67.05499	8.7
67.41676	1.7
69.07066	8.2
69.27920	1.7
77.19787	2.0
79.05480	3.1
81.07064	10.5
83.08606	3.5
91.05479	3.5
93.07040	11.5
95.08627	22.0
105.07043	10.0
107.08592	14.1
109.06519	2.4
109.10162	20.2
113.00021	32.1
119.08576	19.3
121.10137	11.8
123.08085	2.1
123.11700	2.7
131.08556	8.9
133.10129	10.2
135.11681	4.4
145.10146	19.3
147.11719	8.4
157.10168	10.4
159.11674	10.0
161.13206	4.1
169.02585	39.3
169.10152	4.0
171.11705	5.0
173.13203	10.4
175.11134	2.3
183.11624	3.6
185.13269	3.5
187.14865	4.3
195.11795	2.5
197.13298	3.1
211.14844	4.7
213.16403	2.4
223.14830	9.3
225.16362	2.3
237.16452	4.5
239.17834	4.6
251.17918	8.3
253.19469	3.0
275.81064	2.1
277.19559	3.8
286.86551	2.2
401.31891	19.5
419.24307	2.8
419.33066	100.0
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	Unknow
Peak:m/z	Relative Intensity
56.05016	1.2
72.54211	0.3
101.44242	0.4
112.42301	0.4
114.09119	2.3
115.31641	0.4
115.58714	0.3
279.08817	1.4
294.11261	0.5
307.08365	11.1
320.09177	0.6
322.10748	100.0
336.12341	2.1
380.70862	0.4
420.14456	35.0
420.20358	1.6
420.33417	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	420.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05016	1.2
72.54211	0.3
101.44242	0.4
112.42301	0.4
114.09119	2.3
115.31641	0.4
115.58714	0.3
279.08817	1.4
294.11261	0.5
307.08365	11.1
320.09177	0.6
322.10748	100.0
336.12341	2.1
380.70862	0.4
420.14456	35.0
420.20358	1.6
420.33417	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	420.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11842	0.2
54.26579	0.2
55.01879	0.3
55.85441	0.2
57.03417	0.2
60.04502	0.2
65.13131	0.2
69.03433	0.9
70.06606	0.3
72.08156	0.5
74.06078	0.5
75.54214	0.3
78.79617	0.2
80.04293	0.2
81.03426	0.9
85.02914	2.8
86.09709	1.5
86.23037	0.2
87.00831	0.5
94.04191	0.2
97.02911	1.1
99.04498	0.3
102.05583	0.3
105.01916	1.5
109.02925	1.6
120.06562	0.4
122.03688	1.7
123.22093	0.2
127.03979	2.1
137.05988	100.0
137.44141	0.2
145.04962	0.3
159.02899	0.9
169.87227	0.3
219.61212	0.2
248.07822	0.3
420.13739	0.4
443.52765	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	420.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69028	0.5
53.64811	0.4
57.30800	0.5
59.06396	0.4
59.10404	0.4
59.32385	0.5
63.64968	0.4
65.40972	0.6
75.65461	0.5
91.39237	0.5
125.16284	0.5
149.06033	0.6
156.12808	0.6
192.10965	0.5
226.08611	0.6
278.08160	0.8
306.07565	6.3
306.10931	0.8
307.08627	0.7
308.09686	0.6
318.07748	1.3
321.06424	0.6
321.09854	1.2
322.10776	0.9
334.10883	1.0
336.08661	19.3
336.12320	1.8
337.09418	1.1
350.10263	9.0
351.11011	100.0
352.11746	7.3
359.11746	1.0
360.12387	3.1
362.10132	4.9
362.14111	1.0
364.11725	1.1
376.11771	2.2
376.15866	0.7
388.15402	0.9
390.12863	0.9
404.14716	1.0
420.18069	52.6
420.32657	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	420.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	17.6
59.05001	2.7
69.03436	68.6
73.02935	3.0
82.77969	1.6
85.02911	54.9
87.04472	70.1
91.05482	100.0
94.34579	1.8
97.02897	91.3
99.04488	2.1
105.07047	2.3
107.04976	11.3
115.03930	95.6
127.03918	9.0
133.04977	81.7
133.06512	3.7
145.04961	7.6
150.07590	12.6
161.04395	3.9
163.06007	2.0
206.56343	1.9
217.08629	2.8
223.09584	22.5
235.09764	3.4
253.10703	6.6
259.08063	13.0
264.75119	1.9
271.11771	2.8
295.10251	17.8
300.46378	2.0
377.07883	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	420.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
60.55635	3.2
63.78387	2.4
69.03421	4.6
71.04971	2.5
82.06473	2.5
83.04972	4.8
84.04483	2.7
85.02900	18.4
85.06531	7.2
91.05505	2.8
93.07054	2.6
95.04967	5.8
97.06534	23.3
107.04984	3.4
107.08597	15.3
109.10181	3.6
111.08105	17.4
119.08572	12.1
120.08134	5.8
121.06503	2.9
121.10148	20.1
123.08060	12.5
125.05947	4.6
133.10117	22.5
135.11694	22.4
136.07571	4.2
137.09634	15.0
139.07524	28.6
144.09302	3.5
145.10115	13.7
147.08075	3.2
149.05972	23.8
149.13283	5.3
151.11147	9.8
159.11671	31.8
161.09613	100.0
163.11169	94.1
163.12283	2.9
167.07028	16.1
172.13313	3.3
177.12733	21.5
179.10648	46.7
181.12271	4.6
187.11157	7.1
205.12228	74.7
219.41451	2.9
223.13264	93.3
420.13516	3.6
420.25256	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	420.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45753	0.7
51.95453	0.7
54.70841	0.7
55.05529	6.3
56.80042	0.7
69.03437	8.3
70.06590	4.0
71.04995	1.2
71.38206	0.8
72.08151	0.9
79.05510	1.6
81.07051	5.3
83.04987	14.7
83.50726	0.9
84.08160	1.5
85.02907	16.2
93.07043	6.0
95.04951	1.6
95.08595	6.6
97.02901	1.9
97.06518	7.5
99.04472	1.6
99.08118	10.1
105.07014	1.9
107.08595	5.5
109.02859	1.3
109.06556	1.8
109.10171	3.8
113.05997	3.6
119.08578	7.0
120.08089	1.9
121.06477	4.4
121.10147	9.7
123.08082	15.4
124.95501	0.9
125.06001	7.0
127.02426	0.8
127.03916	0.9
127.07444	1.3
129.05453	4.1
129.10248	1.3
133.10114	1.3
135.08078	3.9
135.11710	3.3
137.06001	3.6
137.09608	10.7
139.11172	1.2
143.07048	6.9
145.10161	4.3
147.04404	1.8
147.08061	9.5
149.13251	2.1
159.11700	15.4
161.09532	2.8
163.11176	19.1
165.09116	27.0
177.12730	7.0
181.12144	1.9
187.11177	5.8
193.12350	0.9
205.10260	1.1
205.12241	50.7
223.13290	100.0
228.10860	1.2
230.26828	0.9
254.85242	1.0
385.18488	2.1
420.23737	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	420.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07070	2.5
67.05511	1.3
69.03422	2.3
69.07072	3.4
71.04978	0.5
79.05489	3.6
80.15530	0.5
81.03403	1.1
81.07064	100.0
82.19144	0.6
85.02900	7.2
87.00829	2.9
95.08607	17.5
97.02888	5.3
99.04457	1.1
102.59818	0.5
103.54704	0.6
105.01865	6.6
109.02893	1.2
109.10149	0.7
117.62782	0.5
127.03936	6.5
128.39398	0.5
131.69731	0.6
137.13271	27.7
145.04971	3.7
146.23212	0.6
151.70148	0.5
154.15938	1.3
231.05003	4.2
249.06038	3.8
284.09808	2.3
326.45621	0.6
366.89316	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73041	0.5
55.05515	0.7
57.03434	0.7
60.95587	0.5
61.02923	0.7
61.44980	0.5
69.03421	3.9
69.07076	0.8
71.04979	1.1
79.05482	1.1
81.03397	0.7
81.07053	1.1
85.02911	22.9
86.09738	0.7
87.04475	1.2
91.05470	0.8
93.07050	6.8
95.08592	1.0
97.02896	5.8
105.07040	25.1
107.07930	1.0
107.08601	18.0
109.02884	1.2
109.10162	2.8
115.03901	0.6
117.07050	0.7
119.08582	17.1
121.10167	2.7
123.08053	1.1
125.09640	6.9
127.03898	1.3
131.08575	1.2
133.10178	2.3
135.11697	26.2
137.09630	2.8
139.07545	1.3
145.04968	2.7
149.05972	6.5
149.13264	21.8
153.09114	17.6
159.11688	54.4
161.13255	6.7
163.07486	0.7
165.09109	1.4
171.17183	0.7
177.12746	100.0
195.13812	9.9
205.12259	17.2
223.13293	49.8
241.14333	34.5
241.16823	1.0
385.18759	0.6
420.22192	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	420.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	24.3
57.03445	12.8
67.05511	92.4
69.07075	14.1
71.08629	68.9
74.88491	9.2
79.05493	20.4
81.03413	10.0
81.07046	82.2
83.08617	25.3
91.05466	44.6
93.07037	59.1
95.04989	10.4
95.08600	49.7
97.10177	55.9
99.08091	66.1
105.07079	13.3
107.08581	43.0
109.10152	42.1
119.08595	16.1
121.10120	20.0
123.08112	11.1
123.11745	13.0
125.09617	59.1
131.08617	9.9
133.10126	17.3
145.10104	16.9
147.11703	15.4
163.11279	12.6
173.11751	57.1
190.04967	16.7
193.12230	14.2
227.12813	38.8
229.14278	20.1
239.15065	11.5
245.13840	13.3
251.13615	10.4
277.21689	21.1
314.40387	11.0
322.10742	17.4
336.08954	12.9
340.83850	10.2
351.25314	100.0
387.97153	11.1
420.17545	36.7
420.22388	15.6
420.28406	14.4
420.34183	99.7
427.52246	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	420.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79951	0.8
55.05509	1.2
58.61322	0.6
60.04534	100.0
60.59684	0.6
63.75237	0.7
71.08595	1.1
71.87116	0.7
72.69826	0.7
81.07034	1.3
93.07026	1.1
95.04970	0.8
95.08646	1.1
97.10193	1.3
99.08096	1.1
108.34248	0.7
109.10139	3.2
114.92092	0.7
125.09624	3.1
135.11662	1.0
140.14417	1.2
142.12236	3.2
160.13315	4.6
173.13187	0.9
177.65623	0.8
196.13278	1.2
285.16849	4.5
320.09180	1.3
322.10550	3.5
336.12186	2.0
367.24463	1.8
384.09299	1.0
402.28317	3.2
420.17877	1.8
420.29370	50.2
425.94955	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	420.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04030	3.3
50.52376	3.8
54.83021	3.2
54.86470	3.3
55.05513	31.1
56.05043	3.2
57.03436	22.0
67.05511	67.4
69.07064	35.9
70.91883	3.4
71.01372	4.6
71.04993	16.1
71.08633	100.0
76.98875	3.9
79.05499	29.2
79.99713	3.9
80.00206	3.8
81.07066	66.4
83.04974	17.6
83.08616	15.7
91.05490	22.5
93.07046	40.7
95.04993	8.6
95.08611	54.2
97.06568	4.5
97.10176	16.0
99.08090	71.4
105.07030	30.1
107.08632	33.2
109.10155	59.7
111.08152	5.1
115.32622	4.0
117.09148	6.5
119.08562	28.3
121.06513	4.1
121.10146	18.9
123.08105	5.5
125.09611	15.3
131.08615	15.6
133.10115	16.0
134.10457	3.9
135.11714	7.3
139.11206	9.0
142.07875	4.0
145.10123	5.5
147.11745	8.6
148.97496	3.7
151.11177	24.7
155.10724	4.8
161.13278	21.9
163.11188	15.7
173.11737	58.0
179.14308	15.1
185.19371	4.1
224.16507	7.5
229.14375	39.7
253.17975	19.3
259.20605	4.6
277.21686	18.0
283.42761	3.7
351.25305	90.8
420.18048	17.9
420.28528	61.3
420.33640	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	420.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80768	2.2
55.05522	6.7
57.03442	6.0
59.11303	2.1
59.78190	2.3
62.79733	2.6
67.05510	43.3
69.07071	16.9
72.04483	2.4
73.28606	2.4
75.29285	2.3
76.79694	2.6
79.05496	21.5
79.08217	2.4
81.03450	2.9
81.07065	92.9
83.08615	21.3
91.05496	16.0
93.07037	42.5
95.08617	22.7
97.06534	11.9
97.10196	5.1
99.08109	2.9
101.91927	3.1
105.07053	17.0
107.04960	3.5
107.08604	29.7
109.06535	5.0
109.10176	30.3
111.08096	11.3
117.07036	6.0
119.08565	24.1
121.10125	22.7
123.08104	4.9
123.11739	4.9
125.09586	5.6
131.08562	11.3
133.10127	30.0
135.11691	12.4
137.13268	11.9
145.10106	18.6
147.11690	12.1
149.02338	32.1
149.09630	5.8
149.13255	21.3
151.11258	3.6
155.10632	2.8
159.11728	25.1
161.13310	6.0
163.11192	3.7
173.11710	13.7
177.12741	16.4
179.14328	4.0
193.04980	62.8
195.13857	6.2
218.77008	2.8
229.14293	32.1
237.07568	11.1
245.13570	2.7
257.19092	3.9
263.60178	3.1
269.17459	100.0
275.20010	37.1
293.21204	4.8
322.10229	12.3
336.12277	54.1
349.23706	68.5
367.24756	45.0
420.17911	50.6
420.25839	17.3
420.33081	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	420.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	13.2
57.03445	15.1
67.05502	52.7
69.07057	19.8
71.04977	8.1
71.08625	100.0
74.22152	6.6
79.05493	45.6
81.07059	55.8
82.11073	7.7
83.08642	10.3
91.05476	33.3
93.07043	42.9
95.04921	8.2
95.08604	55.7
99.08104	69.9
105.07024	17.0
107.08585	32.8
109.10152	18.9
119.08585	18.4
121.10158	9.5
133.10097	33.3
151.11198	20.1
161.13260	14.4
173.11716	53.2
205.07294	10.6
229.14352	53.0
253.17990	8.9
269.17279	10.8
277.21689	15.8
340.62854	8.4
351.25467	76.4
395.94891	9.9
420.29556	55.1
425.19580	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	420.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	7.5
57.03439	17.5
63.97964	3.8
67.05511	48.7
68.39316	3.8
69.03413	5.4
69.07074	19.3
71.04991	5.2
79.05496	27.4
79.24826	4.3
81.07060	86.5
82.92463	4.2
83.08608	16.2
91.05473	30.1
93.07033	56.6
95.04987	5.6
95.08607	53.8
97.06529	17.3
97.10150	5.2
105.07000	30.1
107.08600	67.2
109.06527	7.6
109.10137	36.9
111.08070	9.2
117.07003	9.3
119.08559	40.6
121.06483	4.1
121.10147	33.2
131.08533	30.1
133.10150	35.6
135.11707	8.9
137.09610	5.0
145.10143	26.7
147.11668	23.6
149.09648	8.8
149.13248	24.1
157.10222	4.5
159.11676	39.7
161.13255	10.2
167.46078	4.3
173.13249	7.9
177.12770	8.9
184.84151	4.9
185.13249	10.0
187.14796	23.8
195.13713	5.1
205.15916	22.4
229.14377	21.3
257.19049	20.3
269.17456	77.5
275.20050	45.3
297.20544	29.8
349.23749	100.0
367.24863	48.6
425.35480	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	420.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88035	0.4
55.05524	0.6
55.28132	0.4
56.31172	0.3
58.06627	0.5
60.04532	100.0
63.91681	0.3
67.05506	0.8
67.21028	0.4
69.27547	0.5
70.02954	0.4
71.08644	0.5
77.26455	0.4
79.05505	0.5
81.03434	0.4
81.07041	0.7
81.71136	0.4
83.08627	1.1
91.27656	0.4
93.07057	0.5
95.04980	0.8
95.08593	0.7
97.10166	0.7
107.08628	0.5
109.10156	0.9
119.08627	0.7
123.08073	0.5
123.11691	0.4
125.09641	1.8
140.14296	1.6
142.12289	2.6
153.09212	0.5
160.13330	7.8
173.11752	0.5
178.12422	0.4
193.12305	2.1
196.13379	2.8
229.14360	2.6
253.01176	0.5
285.16956	3.3
322.10754	0.6
336.12476	0.9
367.24634	2.2
402.28448	2.9
420.29477	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	421.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03437	1.7
71.59171	0.9
71.63870	1.2
72.08156	1.0
81.03443	1.3
84.08144	1.5
85.02909	4.9
86.09707	2.4
120.08107	1.8
129.10202	2.1
137.05898	1.0
155.10783	1.4
158.02718	4.1
162.09038	1.1
193.06392	4.0
202.20180	1.0
223.08760	1.6
239.08221	2.3
243.11349	2.1
251.08174	13.2
253.09743	1.6
257.09088	1.7
265.05887	1.3
267.07706	1.7
269.09253	7.6
279.07635	38.2
281.09305	5.1
283.07010	4.0
285.08737	1.2
287.10477	1.4
295.07162	15.9
297.06201	1.1
297.08691	43.5
299.10266	5.3
307.07138	100.0
309.08737	16.6
311.06845	1.7
315.09769	5.3
325.08194	89.8
327.09735	21.7
329.07800	1.4
333.10919	2.1
335.06601	10.8
343.09247	47.8
353.07657	21.2
354.08926	1.2
357.11057	2.4
361.10242	5.3
371.08740	64.7
375.11899	1.9
385.10300	2.0
389.09692	9.9
389.14105	1.2
399.33060	1.0
403.11404	15.7
421.12363	12.2
421.17471	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	421.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03437	1.7
71.59171	0.9
71.63870	1.2
72.08156	1.0
81.03443	1.3
84.08144	1.5
85.02909	4.9
86.09707	2.4
120.08107	1.8
129.10202	2.1
137.05898	1.0
155.10783	1.4
158.02718	4.1
162.09038	1.1
193.06392	4.0
202.20180	1.0
223.08760	1.6
239.08221	2.3
243.11349	2.1
251.08174	13.2
253.09743	1.6
257.09088	1.7
265.05887	1.3
267.07706	1.7
269.09253	7.6
279.07635	38.2
281.09305	5.1
283.07010	4.0
285.08737	1.2
287.10477	1.4
295.07162	15.9
297.06201	1.1
297.08691	43.5
299.10266	5.3
307.07138	100.0
309.08737	16.6
311.06845	1.7
315.09769	5.3
325.08194	89.8
327.09735	21.7
329.07800	1.4
333.10919	2.1
335.06601	10.8
343.09247	47.8
353.07657	21.2
354.08926	1.2
357.11057	2.4
361.10242	5.3
371.08740	64.7
375.11899	1.9
385.10300	2.0
389.09692	9.9
389.14105	1.2
399.33060	1.0
403.11404	15.7
421.12363	12.2
421.17471	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	421.134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97291	0.3
56.93262	0.3
57.03433	0.4
57.23148	0.3
57.57900	0.3
58.90795	0.2
60.35517	0.3
68.05369	0.3
69.03429	4.2
84.08128	1.7
85.02904	4.3
87.04468	2.8
90.12312	0.3
97.02892	1.8
106.26550	0.4
108.26143	0.3
115.03922	1.8
127.03918	100.0
133.05000	0.7
138.47141	0.3
160.11018	0.3
181.31406	0.3
237.37514	0.3
289.09207	8.7
421.21774	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	421.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	3.1
66.86843	0.9
70.06577	1.3
71.04995	4.1
72.04510	0.8
72.08167	0.9
74.06036	1.0
78.33082	0.9
81.07037	1.1
83.62466	0.7
107.72411	0.8
110.70442	0.8
144.06595	1.3
227.16400	1.3
290.08112	8.5
302.08270	1.7
304.05905	8.4
318.07574	11.9
319.08389	48.8
323.11154	1.8
334.10703	100.0
371.21765	1.4
389.22806	1.0
403.24393	1.2
412.21408	0.9
421.13882	67.9
421.23010	1.8
434.14673	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	421.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	3.1
66.86843	0.9
70.06577	1.3
71.04995	4.1
72.04510	0.8
72.08167	0.9
74.06036	1.0
78.33082	0.9
81.07037	1.1
83.62466	0.7
107.72411	0.8
110.70442	0.8
144.06595	1.3
227.16400	1.3
290.08112	8.5
302.08270	1.7
304.05905	8.4
318.07574	11.9
319.08389	48.8
323.11154	1.8
334.10703	100.0
371.21765	1.4
389.22806	1.0
403.24393	1.2
412.21408	0.9
421.13882	67.9
421.23010	1.8
434.14673	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	421.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95840	0.5
60.04291	0.5
60.04533	9.1
60.91813	0.4
68.01645	0.5
69.03349	0.5
70.06599	24.7
71.04987	3.1
72.08153	2.1
84.50677	0.6
94.05157	0.5
95.06094	14.9
97.07642	3.0
98.73569	0.5
112.07581	5.1
112.08734	13.2
113.07136	0.8
114.10309	3.8
115.07881	0.8
115.08691	21.7
120.08107	85.2
130.08752	0.6
130.09760	3.3
132.08133	0.6
138.10243	1.2
139.08737	4.2
140.07065	4.5
140.08191	4.0
154.09764	4.8
157.09740	11.3
158.26105	0.5
168.06516	3.3
171.12399	0.8
182.09218	5.5
186.07741	0.7
192.50209	0.7
199.11887	13.2
206.04207	1.2
217.12990	2.3
218.11746	0.6
222.07454	0.8
223.10736	12.1
259.15594	2.4
362.17816	1.3
366.82462	0.7
381.89664	0.6
386.17789	0.6
421.16504	5.5
421.21896	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49032	0.6
55.05519	1.4
67.05507	0.8
73.39648	0.6
81.07050	1.4
83.08620	0.7
84.08152	0.9
88.82701	0.7
93.07060	1.5
95.08592	1.5
105.07006	1.5
107.08604	1.5
109.10150	3.6
119.08553	1.4
121.10134	0.9
127.11157	0.8
131.08563	1.3
135.11662	0.7
139.76543	0.8
145.10139	1.6
147.11719	0.7
159.11642	0.7
171.11792	1.2
173.13351	0.8
176.88937	0.8
179.90344	0.7
185.13243	1.3
187.14560	0.9
199.15007	0.7
271.71606	0.7
308.57159	0.7
312.20673	0.7
335.18286	1.2
365.73962	0.8
421.21988	100.0
421.34555	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	421.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	1.3
56.05044	33.8
58.04102	2.1
60.05659	14.4
70.06581	6.0
72.04520	11.0
72.08150	2.6
74.06093	16.8
76.00045	1.4
76.05132	48.0
84.08147	6.1
86.09715	3.2
97.10142	2.1
102.05569	2.7
102.06683	1.6
112.05082	5.2
116.08230	18.4
118.05010	17.0
120.06598	5.2
125.09634	5.4
131.09317	1.6
135.07654	1.4
159.08704	2.8
160.07172	27.9
170.11829	1.9
177.09831	38.1
189.11238	2.4
203.11331	1.4
226.14397	5.9
254.13814	10.1
302.16989	1.5
328.17706	3.0
346.18585	14.0
385.20856	1.9
403.21741	15.3
421.22885	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	3.7
57.88389	0.7
58.04076	1.3
60.05642	1.7
64.82707	0.8
70.06586	5.0
72.04523	18.0
72.08157	2.0
74.02440	1.2
74.06078	4.0
76.05127	18.1
82.88541	0.8
84.04504	0.9
84.08154	1.5
86.09718	2.1
88.03952	0.9
102.05515	2.1
110.73325	0.9
116.08235	10.5
118.05022	49.6
124.05123	1.0
129.10236	1.0
142.06099	0.9
156.11345	8.1
160.07166	75.2
177.09824	4.1
180.06288	1.0
184.13432	3.3
188.14079	1.3
196.14491	8.5
222.14775	1.7
226.14439	1.0
236.16490	5.8
239.43486	0.9
240.13483	1.8
240.16008	4.0
246.14920	1.6
264.15952	4.5
282.17102	1.0
300.18118	12.7
317.97125	0.9
389.20355	6.5
403.21750	4.8
421.22870	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	421.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	1.5
58.06596	0.8
62.17673	0.6
64.90074	0.6
69.04552	14.2
69.68604	0.6
70.06586	1.4
71.05003	5.5
71.77451	0.7
72.04516	1.4
72.08151	1.3
74.02452	0.7
74.06075	3.4
76.05150	1.0
80.04995	0.7
81.03420	0.8
84.04505	1.1
84.08138	1.3
85.02914	1.1
86.03558	1.2
86.06082	1.0
86.09715	1.8
88.07637	8.6
95.24933	0.8
96.05616	13.0
98.09698	3.6
102.05538	5.0
104.13274	0.8
110.07167	1.0
112.07588	0.9
113.09633	5.0
114.05550	1.2
116.08233	1.1
118.04993	0.9
120.08100	1.6
122.06052	1.3
126.05566	1.2
128.08197	1.0
130.05020	1.2
136.07608	1.6
138.10277	12.4
140.11792	9.0
142.05026	1.1
144.06573	9.9
152.07051	3.6
154.08673	3.8
156.11320	100.0
158.08194	0.9
170.08122	3.4
172.09685	5.2
172.14478	2.9
180.06577	9.9
187.04504	0.8
188.09180	1.8
188.13936	34.9
196.14514	6.9
198.07637	3.9
201.92590	1.0
212.13913	2.6
216.08673	5.9
222.49179	0.8
240.13451	3.6
244.16525	3.3
257.15973	7.5
309.19272	1.5
389.20282	47.9
403.21631	1.1
420.02704	0.9
421.22922	86.3
431.11023	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	421.2711
Annotation	1-oleylglycerone 3-phosphate
Peak:m/z	Relative Intensity
55.05519	0.9
57.03431	3.0
57.06858	0.4
57.07085	5.9
67.05518	0.8
68.26414	0.5
71.08637	4.5
79.91074	0.4
81.07059	3.4
83.08604	1.0
85.10168	2.0
95.08624	3.6
95.28304	0.5
97.10168	0.9
99.08123	0.5
109.10159	2.2
110.77171	0.5
113.00022	82.7
131.00923	0.4
169.02609	100.0
173.67764	0.4
222.73259	0.5
276.86081	0.4
283.29596	0.5
406.06003	0.6
421.27094	3.9
421.34366	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	421.2946
Annotation	Hippolide G
Peak:m/z	Relative Intensity
54.53070	1.1
55.05514	5.3
55.06026	1.0
57.03442	8.1
57.07084	31.3
67.05524	10.8
67.76669	1.3
69.07074	14.8
77.40049	1.2
79.05497	6.5
81.07063	18.2
83.04967	1.6
83.08627	5.2
85.06549	15.6
88.06889	1.4
91.05483	1.9
93.07050	14.6
95.08611	22.2
97.06530	2.8
105.07040	7.8
107.08592	17.2
109.06524	8.5
109.10152	21.1
111.04476	2.7
111.08086	2.9
119.08562	13.4
121.06492	1.5
121.10144	15.8
123.08090	8.7
123.11732	6.6
125.06011	2.3
131.08554	2.7
133.10150	12.5
135.08066	8.4
135.11714	11.0
137.05992	21.1
137.09601	1.7
139.07565	1.6
143.08521	1.2
145.10133	7.8
147.11694	9.4
149.09641	2.4
149.13251	5.3
151.07539	2.2
151.11203	3.0
153.12689	1.4
157.10115	1.9
159.11711	6.4
161.09579	2.0
161.13229	6.3
163.14883	2.0
165.12727	6.4
171.11650	2.4
173.13251	7.0
175.14851	2.9
177.12727	7.9
179.14258	4.7
179.55486	1.4
183.11700	1.4
185.13266	5.8
187.14799	2.5
191.14304	1.6
193.12204	1.8
199.14905	2.1
201.16269	2.1
207.13805	8.9
213.16302	1.4
215.17946	1.5
225.16469	1.5
263.19962	1.7
293.22510	1.7
319.26346	6.6
320.24368	11.5
338.25403	20.5
347.25772	48.0
362.25391	18.7
365.26935	11.3
380.26508	9.7
393.29935	4.4
398.27512	2.5
403.33478	5.3
421.29398	100.0
421.34650	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	421.2946
Annotation	Hippolide G
Peak:m/z	Relative Intensity
50.99961	3.0
54.09904	2.7
55.05517	4.7
57.03439	3.6
57.07098	2.4
57.61084	2.7
67.05506	13.6
69.07063	15.8
79.05528	12.1
81.07076	23.8
83.08620	6.2
84.58362	3.1
85.06556	4.7
91.05437	3.5
93.07042	14.3
95.08582	12.5
97.83501	3.0
105.07048	4.9
107.08605	22.0
109.06541	6.3
109.10170	12.1
111.08089	4.2
119.08646	4.6
121.10161	4.6
122.73422	2.9
123.08064	6.0
126.10226	7.5
133.10115	6.7
135.08061	39.9
135.11719	5.3
137.05986	4.6
145.10156	5.5
149.13197	3.6
159.11743	7.7
161.09624	3.4
163.11070	3.3
167.14154	4.0
168.00725	3.4
171.11911	3.6
177.12711	25.3
191.14308	4.5
207.91611	3.0
265.57779	3.4
305.24820	22.7
319.26266	7.2
320.24420	17.5
338.25549	28.4
341.26639	59.5
347.25638	33.9
362.25317	38.9
380.26300	19.9
421.29593	100.0
421.34372	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	421.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02165	1.2
51.32219	1.1
55.05509	1.6
64.69090	1.1
67.05501	3.6
69.03432	3.5
69.07045	2.9
79.05471	2.1
81.07063	9.8
83.08636	1.5
85.45327	1.3
88.37875	1.7
93.07044	8.3
95.08613	28.7
105.07012	6.8
107.08599	13.8
108.74583	1.3
109.10165	15.1
111.08075	2.3
119.08587	23.3
121.10168	17.2
123.11681	2.4
125.09587	1.9
129.07040	1.5
131.08534	7.7
133.10138	19.0
135.11697	7.9
143.08522	3.0
145.10132	24.7
147.11632	7.6
149.13223	2.3
153.32280	1.7
157.10114	10.1
159.11671	14.4
161.13226	7.7
169.10120	7.1
171.11662	12.8
173.13258	9.0
175.14786	2.4
183.11652	7.9
185.13298	10.1
187.14844	10.2
189.22739	1.5
195.11687	1.8
197.13245	8.8
199.14828	14.4
201.16374	2.7
209.13174	2.4
211.14790	6.6
213.16353	9.3
223.14798	2.0
225.16368	3.2
227.17938	6.1
237.16396	7.0
239.17947	1.9
251.18008	2.8
253.19519	2.8
291.21158	2.0
292.21692	2.1
319.24173	3.2
321.25781	10.6
345.25635	10.5
363.26810	14.6
385.28848	1.7
403.29794	6.6
421.30899	100.0
447.71805	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	421.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.7
55.91055	1.0
57.07061	2.2
58.44975	1.0
67.05505	10.1
69.03435	1.2
69.07065	14.6
69.94348	1.2
77.81554	1.1
79.05506	2.5
81.07058	17.4
83.04999	1.7
83.08631	5.4
91.05479	2.3
93.07037	9.7
95.08601	22.1
97.10120	2.0
104.89787	1.2
105.07028	11.4
106.74867	1.4
107.08592	20.8
109.10156	38.1
113.85816	1.3
117.06994	3.2
119.08578	21.7
121.10132	14.5
123.11709	8.4
129.07007	2.0
131.08565	5.6
133.10139	14.2
135.11711	8.7
137.13271	1.7
143.08618	5.4
145.10098	13.9
147.11703	9.8
149.13295	3.0
157.10133	8.3
159.11681	16.7
161.13258	15.9
163.14851	2.2
169.10092	2.3
171.11656	12.8
173.13278	11.9
175.14825	6.4
183.11710	3.1
185.13348	6.9
187.14830	9.6
188.98355	1.4
197.13336	2.6
199.14873	3.3
201.16409	8.3
203.17950	2.1
211.14862	2.2
213.16423	2.9
215.17924	1.8
217.19550	1.9
225.16466	1.8
227.17996	5.4
239.17986	2.1
241.19389	1.9
243.17354	3.2
253.19521	2.2
255.21320	1.7
269.18939	1.5
283.20709	1.7
293.22690	1.7
295.20834	1.4
339.26935	1.4
403.33615	9.5
421.25595	7.1
421.34653	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	2.0
66.26633	1.2
67.05514	12.5
69.03441	1.6
69.07070	7.6
79.05495	1.9
81.07066	19.0
83.08630	2.1
87.46342	1.2
93.07047	14.1
95.08607	26.0
97.06528	1.5
105.07008	11.5
107.08604	20.5
107.66787	1.2
109.10156	46.8
119.08589	21.4
121.10146	19.4
123.11716	8.3
125.09627	2.5
131.08582	6.0
133.10133	16.3
135.11719	10.7
137.13281	2.4
143.08574	2.2
145.10095	17.8
147.11716	18.1
149.13289	11.1
155.08522	1.2
155.57312	1.2
157.10158	7.8
159.11685	18.1
161.13248	27.4
163.14838	2.6
169.10197	1.7
171.11713	7.3
173.13252	13.2
175.14825	12.2
177.16389	2.6
183.11765	2.4
185.13307	7.0
187.14783	11.7
189.16405	7.0
197.13278	2.2
199.14848	7.4
201.16368	16.0
203.17943	7.4
213.16455	6.0
215.17802	4.1
218.50740	1.5
225.16362	1.5
227.17984	2.9
237.16359	2.1
239.17982	2.3
241.19508	2.8
253.19583	3.0
255.21140	5.0
259.20547	2.6
279.20892	1.6
281.22598	1.6
295.24432	1.4
335.27316	1.3
352.74759	1.3
363.30331	9.2
403.33633	13.6
408.48233	1.4
421.34659	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58154	1.1
55.05526	2.4
57.07070	1.9
57.08358	1.2
59.97360	0.9
60.06487	1.0
60.97949	1.1
61.66788	1.0
64.12776	1.0
65.11715	1.1
67.05511	9.0
69.07067	9.1
71.08633	2.5
79.05463	4.5
81.07059	14.0
83.08637	2.9
91.05508	2.3
93.07032	10.0
95.08608	28.2
97.10175	2.6
99.08141	1.3
105.07039	12.5
107.08607	19.4
109.10154	29.4
111.08103	2.2
113.00017	2.8
119.08574	19.4
121.10139	18.6
123.08084	1.1
123.11724	6.6
127.81816	1.2
131.08594	5.0
133.10135	20.6
135.11725	10.2
137.13283	2.3
139.11212	5.5
143.08615	2.6
145.10136	10.3
147.11697	11.8
149.13249	12.4
154.41945	1.3
157.10144	2.5
159.11693	17.2
161.13298	13.4
163.11116	3.8
163.14844	6.4
169.02634	7.0
171.11720	6.9
173.13269	9.7
175.14828	10.1
177.12782	1.6
177.16408	5.1
183.11719	1.2
185.13286	6.5
187.14743	9.8
189.16354	9.7
191.17979	2.0
197.13197	2.4
199.14857	7.8
201.16418	18.7
203.17976	16.9
211.14766	2.0
213.16423	5.8
215.17917	9.4
217.19482	1.6
219.17516	6.8
227.18007	2.5
231.17415	2.4
241.19518	2.1
245.18942	1.9
253.19705	2.3
255.21162	2.7
259.20685	1.5
267.21082	1.7
269.22626	2.9
311.23734	2.4
363.30612	2.8
387.22537	1.3
403.33640	7.8
421.34650	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.1
55.85955	1.5
56.97145	1.1
57.71187	1.2
62.20137	1.1
67.05501	8.4
68.66745	1.3
69.03400	1.4
69.07074	7.4
69.96090	1.8
79.05518	2.4
81.07068	23.9
83.08621	2.3
91.05459	3.0
93.07032	15.3
95.08604	31.1
105.07037	18.7
107.08602	24.4
109.10158	45.9
117.06999	1.8
119.08585	23.7
121.10139	15.1
123.08068	1.4
123.11732	9.9
125.09666	2.3
131.08548	6.8
133.10136	14.1
135.11685	9.8
137.13208	1.7
143.08531	2.6
145.10123	24.9
147.11693	18.2
149.13214	9.9
157.10132	8.0
159.11682	21.5
159.91652	1.5
161.13222	31.0
163.14857	6.6
169.10101	2.8
171.11717	7.9
173.13245	16.2
175.14772	11.1
177.16425	3.3
185.13275	5.7
187.14790	14.4
189.16383	6.6
199.14824	7.6
201.16418	18.2
203.17970	9.4
211.14748	2.2
213.16397	7.5
215.17967	6.1
217.15883	1.6
221.54446	1.3
225.16368	2.8
227.17992	2.6
229.19603	1.6
239.18040	2.1
241.19510	2.3
253.19583	2.8
255.21120	6.9
259.20541	2.6
265.19455	1.7
278.08307	1.5
295.24203	2.7
363.30478	14.3
401.63406	1.6
403.33530	15.0
421.34637	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.5
60.79720	1.1
67.05504	5.1
69.07076	5.4
71.04991	1.2
78.47800	1.3
79.05483	1.3
81.07075	8.6
83.03802	1.1
83.08629	1.8
83.60654	1.1
91.05526	2.0
93.07054	7.5
95.08611	19.5
105.07042	7.0
107.08589	18.2
109.10159	21.2
111.08137	1.2
117.07001	1.3
119.08564	15.9
121.10144	15.8
123.11724	5.4
129.37709	1.6
131.08592	2.8
133.10130	13.8
135.11700	9.0
139.11243	2.9
142.92363	1.5
143.08549	1.4
145.10103	13.7
147.11681	11.9
149.13235	8.8
157.10168	2.9
159.11676	20.1
161.13243	9.8
163.14812	2.0
169.10161	1.8
171.11755	2.8
173.13289	11.0
175.14873	11.2
177.16437	6.3
183.11684	1.5
185.13287	6.6
187.14795	11.0
189.16425	5.5
197.13354	1.8
199.14856	7.4
201.16322	17.8
203.18011	15.1
205.15874	2.1
213.16473	2.8
215.17931	9.4
217.19553	1.8
219.17508	4.7
223.14906	2.0
225.16473	2.4
227.18013	5.6
229.19548	1.9
231.17479	2.6
253.19653	2.8
262.25195	2.8
267.21127	1.3
269.22681	1.8
364.28314	9.3
403.33557	6.7
421.30832	5.9
421.34772	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85294	1.1
53.79221	0.9
55.05501	2.1
56.91496	1.1
56.99024	0.9
57.71432	1.0
60.01197	1.1
66.26866	1.0
67.05512	7.5
69.03422	1.4
69.07072	6.5
69.32027	1.2
71.04988	2.5
79.05470	2.1
81.07066	11.2
83.08573	1.3
87.03822	1.1
89.81304	1.1
93.07030	10.8
95.08607	26.1
105.07016	10.8
107.08601	16.5
109.10169	28.7
117.07024	1.7
119.08579	18.1
121.10116	15.5
123.11729	6.7
124.37058	1.2
125.09623	2.0
127.11222	5.0
131.08594	4.8
133.10132	13.1
135.11697	7.2
139.42754	1.2
143.08554	2.1
145.10118	13.0
147.11703	13.8
149.13293	7.7
149.28041	1.2
157.10139	4.6
159.11652	13.4
161.13248	10.9
163.14803	1.7
164.82791	1.5
169.10152	1.9
171.11694	10.4
173.13203	11.2
173.22075	1.1
175.14854	8.4
177.16435	1.7
183.11707	4.5
185.13271	8.2
187.14888	9.4
189.16428	2.8
197.13188	4.6
199.14841	7.9
201.16367	12.1
203.17944	2.6
209.13203	1.3
211.14856	2.2
213.16391	5.1
215.18019	1.6
217.19492	1.8
225.16307	4.5
227.17970	2.6
229.19525	1.9
239.17902	1.3
241.19560	3.0
243.21114	6.1
253.19551	2.4
255.21201	5.2
267.21176	8.7
269.22763	1.4
281.22952	1.7
291.00815	1.6
297.22098	1.4
347.27225	1.5
365.28152	1.5
403.33548	15.4
418.21982	1.4
421.34644	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12240	1.0
55.05519	1.8
57.07087	1.1
67.05498	6.0
69.07069	6.9
71.04990	6.4
79.05513	1.7
80.71840	1.0
81.07074	10.0
83.08607	2.1
91.05442	1.5
93.07039	7.6
95.08607	16.4
97.10184	1.8
103.81921	1.2
105.07051	6.7
106.45157	1.1
107.08611	9.3
109.10159	24.4
117.07059	1.7
119.08575	15.1
121.10148	9.0
123.11700	7.8
127.11195	15.9
129.07005	1.5
131.08597	6.6
133.10150	9.6
135.11696	7.3
137.13251	2.3
143.08543	5.3
145.10127	15.7
147.11670	8.1
149.13248	6.3
155.08623	1.3
157.10162	7.0
159.11697	12.9
161.13292	9.6
163.14888	2.3
164.76514	1.1
169.10152	5.4
171.11670	11.1
171.18901	1.1
173.13268	13.4
175.14827	5.0
180.35698	1.0
183.11755	5.6
185.13240	23.2
187.14842	10.1
189.16386	2.1
197.13322	5.1
199.14847	6.6
201.16380	8.5
211.14819	5.4
213.16449	1.9
215.17984	2.0
225.16394	7.2
227.17836	1.7
237.16389	1.4
239.17912	5.2
241.19307	1.3
251.17944	1.6
253.19591	8.6
255.21056	1.5
267.21072	1.8
279.20944	1.5
294.23425	2.0
315.37469	1.1
347.23035	1.3
403.33591	5.5
411.63126	1.2
421.34662	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44777	1.3
55.05514	2.5
58.43335	1.6
62.04983	1.5
62.67561	1.5
63.17079	1.5
67.05497	7.9
69.07050	7.0
79.05502	6.8
81.07064	28.1
83.08636	2.9
91.05466	4.1
93.07043	27.7
95.08611	34.2
105.07053	16.4
107.08603	29.0
109.06484	1.9
109.10161	24.0
113.00043	4.1
114.07296	1.7
119.08581	20.4
121.10153	22.2
123.08002	2.5
123.11723	14.0
124.37169	1.8
131.08562	7.0
133.10144	21.7
135.11700	13.3
143.08528	2.2
145.10162	15.7
147.11681	22.3
149.13239	10.2
151.11148	2.5
157.10155	4.1
159.11679	16.2
161.13264	11.8
163.14807	3.2
165.12677	2.4
169.02617	10.9
169.10138	2.0
171.11717	3.5
173.13251	17.4
175.14813	14.8
177.16374	2.8
185.13278	3.9
187.14754	12.2
189.16452	3.0
190.94447	1.9
199.14888	6.9
201.16406	7.5
203.17940	2.6
211.14940	2.0
213.16423	7.1
215.18036	2.8
217.19449	1.9
227.18027	3.3
229.19560	1.9
241.19406	2.8
249.05821	1.8
253.19432	2.4
255.20998	3.5
257.22421	2.0
267.21014	2.5
295.24002	2.3
363.30359	6.3
403.33484	9.5
421.34622	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.9
57.07052	1.3
60.96113	1.1
67.05495	8.2
69.03427	1.7
69.04453	1.1
69.07066	9.9
71.04979	4.9
75.87654	1.3
81.07057	11.9
83.08614	1.4
85.49439	1.4
88.45251	1.2
90.29607	1.1
91.05437	2.5
92.21639	2.5
93.07044	6.4
95.08610	17.6
99.08083	1.4
105.07040	8.4
107.08596	13.9
109.06383	1.2
109.10165	27.5
111.08127	1.8
111.11726	2.2
119.08579	18.1
121.10136	15.1
123.11688	6.8
127.11183	5.8
131.08556	21.5
133.10115	9.8
135.11717	10.3
143.08574	5.2
145.10126	17.1
147.11674	9.2
149.13274	7.4
157.10149	6.6
159.08057	28.3
159.11702	16.0
161.13205	15.5
169.10207	1.9
170.10890	1.7
171.11674	6.3
173.13277	19.5
175.14803	9.1
177.16348	1.4
183.11729	2.9
185.13255	24.7
187.14845	15.2
189.16315	2.5
197.13351	5.8
199.14809	6.9
201.16374	10.7
203.17912	1.5
211.14771	3.1
213.16386	8.6
215.17981	1.4
219.17490	1.5
225.16386	5.5
227.17935	2.2
239.17841	1.8
253.19519	6.5
279.21262	1.8
281.22479	1.7
335.27087	1.6
363.30515	2.3
403.33575	8.5
421.27481	12.7
421.34604	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19294	1.7
64.32448	1.9
67.05520	4.8
69.07065	12.3
79.05488	3.0
80.11380	2.3
81.07081	19.9
83.04913	2.3
83.07387	2.4
83.08617	2.5
91.05472	2.7
93.07034	11.0
95.08607	31.7
97.10181	4.3
100.07713	1.9
104.74706	1.9
105.07024	13.6
107.08611	27.0
109.10163	53.5
119.08576	18.9
121.10117	17.7
123.11735	2.7
125.09624	4.2
131.08560	4.1
133.10147	12.9
135.11699	12.2
137.09480	2.4
143.08589	5.3
145.10120	17.6
147.11671	15.6
149.13257	9.3
157.10112	3.4
159.11647	19.4
161.13249	16.6
163.14775	4.6
169.10100	3.0
171.11685	4.6
173.13263	18.1
175.14806	9.6
177.16281	4.6
183.11684	3.4
185.13217	10.4
187.14799	11.4
189.16376	8.8
199.14844	12.2
201.16356	13.7
203.17975	2.8
213.16374	4.1
215.17885	4.5
239.17963	3.3
241.19547	4.2
255.20993	4.8
289.16055	2.9
347.27304	2.5
363.99884	2.7
403.33731	17.7
421.29041	3.6
421.34662	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	4.8
57.07084	1.6
60.27906	0.9
67.05492	4.2
69.07076	11.8
71.04985	6.6
74.99818	0.9
79.05486	2.3
81.07062	11.7
83.08640	7.3
91.05505	1.5
93.07035	8.7
95.08605	21.2
97.10175	1.4
105.07053	9.0
106.34474	1.3
107.08598	15.5
109.10158	27.3
111.11688	1.5
114.09170	1.6
119.08578	18.8
121.10146	13.9
123.11710	11.5
127.11207	10.6
129.07010	2.6
131.08546	12.9
133.10139	13.3
135.11696	9.1
137.13261	2.5
141.12697	1.6
142.78201	1.1
143.08569	7.4
145.10146	14.7
147.11684	12.0
149.13251	8.6
150.20790	1.0
151.14742	1.3
157.10130	12.4
159.11690	19.3
161.13232	10.0
163.14810	4.4
168.74744	1.0
169.10139	5.6
170.10876	1.3
171.11707	17.2
173.13271	17.1
175.14842	5.6
175.67894	1.0
183.11644	9.2
184.54337	1.1
185.13242	33.7
187.14755	12.5
189.16403	2.1
197.13254	8.6
199.14810	10.8
201.16341	9.8
209.13309	2.4
211.14854	4.7
213.16432	6.9
215.17952	4.8
223.14850	2.2
225.16423	8.1
227.17947	7.1
229.19553	1.3
237.16254	2.6
239.17928	5.3
251.18056	2.5
253.19481	9.0
255.21126	1.7
267.21039	5.6
281.22665	2.4
295.24286	2.1
335.27457	1.5
365.28339	1.3
403.33441	9.5
404.33133	1.2
421.34650	100.0
431.18506	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	421.346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05536	3.1
58.00021	1.9
62.18571	2.0
63.27150	2.0
67.05507	18.2
69.03410	2.1
69.07065	9.0
79.05490	3.7
81.07060	23.7
83.08630	2.9
91.05435	2.0
92.93627	2.5
93.07044	16.9
95.08603	35.7
97.02571	2.4
105.07029	15.8
107.08586	34.7
109.10158	55.1
119.08577	26.6
121.10138	28.5
123.11682	11.4
125.09643	3.6
131.08549	5.7
133.10118	16.4
135.11684	12.9
143.08542	3.5
145.10121	25.0
147.11671	18.5
149.13210	10.0
157.10129	9.5
159.11690	27.8
161.13242	37.5
163.14795	2.6
169.10069	2.7
171.11694	12.3
173.13245	15.1
175.14828	13.8
177.16270	3.1
183.11700	3.4
185.13319	8.3
187.14771	16.8
189.16368	3.1
201.16350	22.1
203.17963	9.8
211.14838	5.0
213.16394	8.8
215.17932	9.3
225.16017	2.5
227.17918	3.4
235.41122	2.4
239.18011	3.4
241.19540	4.1
246.21324	2.2
253.19461	4.5
255.21014	4.1
267.20862	4.1
363.30392	12.9
403.33539	13.9
421.34668	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55117	1.1
55.05513	1.4
55.85585	1.1
57.07086	1.3
67.05502	6.1
67.97610	1.2
69.07066	5.7
69.97277	1.1
81.07050	13.0
83.08627	2.1
89.26257	1.4
91.05489	2.1
93.07040	8.7
95.08607	21.0
101.32089	1.2
105.07034	11.4
107.08591	16.6
109.10159	24.6
119.08556	12.8
119.45766	1.1
121.10128	14.7
123.11712	5.1
125.09640	1.6
131.08588	5.3
133.10149	10.5
135.11697	6.3
143.08560	2.5
145.10118	12.0
147.11652	11.2
149.13255	5.7
157.10127	5.4
159.11670	16.1
161.13249	18.1
163.14804	3.1
169.10115	1.5
171.11691	6.2
173.13269	12.7
175.14854	7.8
183.11714	1.3
185.13254	5.3
187.14847	8.6
189.16437	2.4
197.13254	1.9
199.14864	5.3
201.16336	13.2
203.18004	9.0
211.14792	2.3
213.16414	5.7
215.17964	6.4
219.17378	1.7
225.16345	2.0
227.17845	2.7
229.19609	2.2
239.17970	2.2
241.19336	1.6
243.21107	5.9
253.19441	3.0
255.21150	2.8
260.28555	1.5
267.21057	7.9
278.97690	1.6
279.20990	1.6
281.22702	2.5
338.23367	2.0
338.66357	1.5
363.30560	5.8
365.28455	1.9
403.33450	14.5
421.34622	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07019	0.2
50.22210	0.2
53.00325	0.2
70.59866	0.2
78.98267	0.2
91.05471	0.3
106.04190	0.2
107.04966	0.4
119.04896	0.2
122.02747	0.3
123.04440	2.8
134.03616	1.5
135.04414	0.4
137.05920	0.2
147.04402	5.0
151.07523	0.3
151.26442	0.2
152.04683	4.1
162.03519	0.2
163.03900	3.4
167.07022	100.0
179.01691	0.3
179.07033	2.8
191.07039	4.0
203.91492	0.2
207.06520	1.0
217.22612	0.3
239.07344	0.2
241.08504	1.6
243.15855	0.3
269.08051	2.9
270.08786	1.3
273.11194	1.2
286.08347	1.1
301.10687	27.9
320.09149	2.8
333.08118	0.5
376.12189	0.3
422.12445	8.5
422.17233	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	422.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96595	0.4
53.58519	0.4
55.01871	2.0
55.05524	9.9
58.99585	0.8
59.94799	0.5
69.42652	0.5
72.04538	0.7
81.07076	0.6
83.08625	28.3
84.04512	9.0
90.05563	1.3
92.75532	0.6
104.01691	4.4
116.01672	11.2
129.06546	1.2
129.07384	0.8
130.04973	2.7
142.03278	1.2
158.02715	100.0
159.08411	22.4
159.79556	0.7
176.03770	40.6
176.11122	1.3
179.66304	0.6
219.90033	0.8
220.46944	0.6
257.06204	0.6
276.12634	22.6
293.15289	46.0
321.91370	0.6
333.14761	3.0
404.18542	0.8
422.19547	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	422.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46693	0.4
55.05513	2.9
57.07074	1.1
66.41732	0.4
68.83653	0.4
69.03422	2.3
72.04517	50.5
72.61619	0.4
81.03417	2.7
81.07074	4.6
83.04978	2.4
85.02917	5.4
86.09690	1.7
87.00819	1.0
95.63773	0.4
97.02880	1.8
99.04468	0.9
99.08091	1.5
102.09180	4.8
104.07127	0.9
105.01781	0.5
107.08614	0.5
107.67190	0.4
109.02879	1.0
114.09164	35.2
118.88177	0.5
119.08585	0.4
123.08059	0.9
127.03908	4.4
128.14343	1.8
133.10210	0.5
135.11700	0.5
137.09624	1.1
145.04930	0.6
146.15402	3.9
146.60925	0.4
156.13831	100.0
156.71069	0.5
158.02728	0.5
161.09602	2.4
165.09065	1.6
169.82916	0.4
174.14882	84.0
207.10196	0.9
225.11104	1.0
243.15974	0.7
336.20029	0.7
340.22348	0.5
404.76065	0.5
422.20068	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	422.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.1
59.64538	0.8
69.03416	4.1
77.64855	0.9
79.05502	9.3
81.03410	0.9
81.07051	8.2
82.03754	0.9
82.04300	0.8
82.88311	0.9
83.04962	1.8
85.02901	8.3
86.06052	4.5
91.05465	1.3
93.07038	1.8
95.04967	1.7
97.02847	1.4
97.06537	4.6
99.04442	11.2
104.07136	9.3
105.07049	2.0
107.04940	11.7
109.02898	1.4
109.06538	2.3
109.10159	14.2
111.04456	6.3
119.08595	5.1
121.06527	2.1
121.10157	1.0
125.05987	1.5
127.03875	1.6
129.07045	1.1
133.10129	7.6
135.08047	1.1
137.05952	1.6
137.09621	59.9
139.11203	1.8
143.08560	9.1
145.04912	1.2
145.26323	1.0
147.04320	3.3
147.08058	14.3
156.13821	1.8
161.09607	100.0
163.11179	5.9
165.09102	87.6
174.14906	1.1
179.10654	10.4
189.09088	24.3
197.11679	1.1
207.10159	71.9
219.07658	0.9
225.11201	59.1
243.12231	9.9
385.91507	1.1
387.16644	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	422.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51452	0.3
56.05053	0.8
61.45547	0.4
74.06087	8.3
80.86647	0.4
86.09712	100.0
92.21049	0.6
98.06029	0.5
116.07103	0.6
120.08112	9.4
126.05523	6.1
160.47093	0.4
166.08646	5.6
193.55551	0.4
195.11357	3.2
211.14572	1.5
239.13898	20.6
257.14938	3.2
279.17032	12.9
360.19174	1.6
404.21835	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	422.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	3.3
59.05008	2.5
59.60543	1.8
60.53053	2.1
67.05501	4.4
67.57899	2.1
68.06274	2.0
68.84372	1.8
69.03432	49.3
69.07078	14.5
70.06590	3.2
72.08143	1.8
81.03415	3.8
83.04986	4.0
83.08648	4.1
84.04523	3.2
84.08151	3.9
85.02911	12.8
86.09760	2.3
91.05486	5.0
93.07045	47.6
95.04980	5.0
95.08609	37.1
97.02903	2.9
97.06528	9.7
105.07056	24.4
107.08568	17.7
109.06535	5.2
109.10139	4.9
109.62331	2.0
111.08074	31.7
111.86363	1.9
119.08586	42.4
121.06518	8.1
121.10140	37.6
123.08051	35.7
123.11732	2.7
124.26242	1.9
127.03913	5.2
129.10263	4.4
131.08580	9.5
133.06485	11.9
133.10138	27.3
135.08080	10.2
135.11697	37.1
137.09619	5.0
137.13266	17.5
140.07057	2.4
145.10202	3.9
147.08058	12.1
147.11685	33.4
149.09616	14.2
149.13335	2.5
151.07556	14.3
151.11179	10.2
152.70229	2.0
156.09300	2.3
159.11693	3.6
161.09605	3.5
161.13249	96.5
163.11157	15.0
165.12758	9.4
171.11641	4.0
173.13257	10.0
174.10416	8.3
179.14355	5.0
189.12743	100.0
191.14294	57.0
207.13799	93.8
225.14841	17.6
241.09776	3.9
243.11346	3.5
251.10191	4.9
259.10880	10.0
261.12051	2.5
299.08414	2.5
301.11853	11.4
318.12787	2.4
351.18036	11.6
369.19040	8.4
379.17050	2.1
404.22717	2.8
422.13593	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	422.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69286	0.5
55.05518	2.7
57.03427	0.6
67.05527	0.5
69.03436	5.5
69.07079	1.2
70.06557	0.9
71.04984	1.4
72.08146	4.1
75.04470	2.6
81.03426	1.0
81.07067	11.2
81.90174	0.6
83.04980	3.8
83.08594	0.7
84.04518	0.8
84.08124	1.1
85.02914	9.2
85.29047	0.6
86.09666	0.6
89.04168	0.6
93.07047	2.7
95.04976	7.4
95.08617	4.6
97.02895	1.4
97.06522	2.8
99.04485	1.6
99.08089	2.2
101.06013	1.4
105.07037	3.4
107.08599	21.1
109.06491	5.6
109.07149	0.6
109.10167	12.1
111.08057	2.6
119.08572	9.3
120.08083	5.0
121.06532	0.9
121.10147	9.1
123.08065	6.2
125.05940	0.9
125.09629	37.5
127.03902	2.4
131.08524	1.1
133.10135	5.3
135.08060	16.5
135.11678	5.7
137.09645	5.9
137.13177	0.9
139.07545	3.5
141.09093	1.5
141.59663	0.7
145.04938	1.4
147.08064	1.2
147.11707	10.9
149.09615	14.8
149.13242	4.0
151.07545	3.7
151.11176	5.7
153.09129	1.4
159.11717	1.3
161.13248	9.9
163.11171	1.1
165.09129	4.4
165.12727	6.2
167.10658	7.3
171.11659	3.2
175.08653	1.3
177.12743	12.5
179.14351	1.1
183.10152	1.3
186.08681	1.0
189.12755	10.0
195.13808	19.0
207.13797	37.1
225.14841	100.0
237.12291	0.9
243.15901	59.8
264.89996	0.7
337.09290	2.6
422.10944	3.4
422.16104	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	422.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90672	1.5
55.05524	3.5
67.05499	4.1
69.03437	22.5
69.07037	2.7
81.07063	3.9
83.08631	4.0
83.24552	1.8
85.02911	8.0
85.06565	3.7
93.07064	16.7
95.04998	12.6
95.05600	1.4
95.08599	21.7
97.02902	2.1
105.07057	19.3
107.08608	13.7
109.06510	2.6
109.10146	2.6
111.08074	10.9
119.08577	18.0
121.10143	38.6
123.04440	1.9
123.08054	53.1
123.11763	2.3
133.06512	12.5
133.07404	1.7
133.10104	8.7
135.08051	2.5
135.11739	15.3
137.13266	10.6
139.11192	1.7
145.10146	2.8
147.11696	12.9
149.09589	3.7
151.07549	100.0
151.11172	19.7
158.02745	3.2
161.13261	41.6
163.11171	45.7
165.12761	22.6
179.14326	10.7
189.12785	36.6
191.14265	7.0
207.13808	91.4
225.14841	37.1
288.61658	1.8
291.40771	1.8
351.17822	3.5
362.46286	1.9
369.18997	3.9
379.27481	2.3
428.77765	1.9
439.17291	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	422.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60909	1.6
56.96574	11.3
59.11555	1.8
61.18588	1.7
64.87695	1.5
69.07043	2.0
70.05911	1.9
78.45499	2.0
81.07051	2.4
81.41518	2.2
84.75209	1.9
95.08611	4.0
98.39967	2.1
107.08609	2.5
109.10130	2.8
113.00002	2.4
117.99714	2.3
118.76389	1.9
132.35481	2.0
144.06496	2.6
169.02559	3.3
192.09395	2.0
202.07439	2.5
202.10960	2.1
238.11255	4.6
240.12650	4.0
252.12694	8.6
254.14417	3.3
268.04633	1.9
329.04016	1.9
330.21060	3.3
332.22549	21.0
344.22519	2.7
348.00504	2.2
348.22043	26.8
350.23642	77.2
356.43912	2.2
362.23645	100.0
366.23199	2.5
368.24493	3.3
380.24963	4.9
380.31479	1.9
399.94128	2.3
422.25677	64.3
422.34561	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	422.311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.9
57.03440	3.0
57.07070	3.0
58.15890	1.8
67.05517	33.8
69.07064	12.7
69.45823	2.0
71.08622	10.1
75.29042	1.8
78.60793	1.9
79.05493	13.3
80.07149	2.4
80.61687	2.2
80.96084	2.0
81.07067	40.5
83.04980	2.2
83.08638	16.4
83.27644	2.4
84.93661	1.8
87.86639	2.3
91.05492	10.2
93.07045	31.5
93.15923	1.9
95.08631	19.0
95.09098	2.3
97.06519	4.0
97.10164	5.0
99.08079	5.5
105.07035	4.9
107.08586	21.6
109.06552	3.1
109.10151	23.3
111.08082	11.0
113.09656	2.9
117.07095	8.1
119.08550	4.3
119.13860	2.1
121.10134	14.4
123.11720	3.3
125.09641	4.7
126.51939	2.2
127.43999	2.5
131.08536	3.5
133.10152	12.6
135.11700	10.1
147.11702	4.3
149.13277	28.8
151.11140	3.1
159.11690	17.9
161.13298	4.0
173.11752	4.0
177.12785	15.7
179.14362	5.2
195.13747	4.5
200.85353	2.1
229.14409	19.7
269.17450	100.0
269.20215	4.5
277.21548	13.7
351.25430	27.0
369.26416	20.0
422.30685	2.7
422.35370	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	422.311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90698	1.6
54.83223	1.5
55.00483	1.7
55.05518	4.9
57.03442	4.4
57.07071	1.7
61.20706	1.7
63.77362	1.7
66.59491	1.6
67.05513	38.6
69.07078	11.7
71.04982	2.0
71.08633	9.6
79.05495	15.3
80.00226	1.7
81.07060	37.9
83.04965	2.1
83.08615	15.0
84.43680	1.9
85.10180	2.0
91.05479	9.5
91.67372	1.9
93.07047	26.9
95.08595	17.7
97.06509	10.9
97.10164	8.6
99.08089	9.3
107.08569	19.9
108.08862	2.0
109.10157	28.9
111.08081	11.9
113.09644	3.1
117.07021	4.9
119.08590	7.8
121.10145	12.1
123.11739	3.0
125.09613	4.6
131.08594	8.1
133.10124	12.9
135.06053	2.1
135.11687	7.5
147.11671	9.0
149.13271	20.2
151.11212	4.9
155.10696	9.1
159.11731	15.4
165.12793	2.8
171.11737	2.4
172.97018	2.1
173.11784	14.8
177.12752	12.9
179.14391	3.8
185.13191	2.3
195.13718	3.1
229.11314	1.8
229.11914	2.3
229.14325	34.9
269.17468	100.0
277.21622	13.0
295.22537	2.7
351.25336	41.9
369.26224	26.1
422.19586	5.0
422.35196	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	422.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57482	2.2
55.05518	11.3
55.31055	2.2
57.03443	6.2
57.07072	3.8
62.55334	2.4
67.03669	2.5
67.05508	46.0
69.07059	13.3
71.08633	6.5
79.05485	12.6
81.07060	46.6
83.08615	18.9
91.05450	3.7
93.07051	34.1
95.04967	2.8
95.08607	22.2
97.06526	4.1
97.10178	3.5
99.08071	11.3
105.07028	2.9
107.08601	13.0
109.10168	44.6
111.08082	12.6
111.11642	2.9
117.68468	3.0
119.08581	13.7
121.10151	13.6
125.09654	6.4
131.08508	3.1
133.10129	13.3
135.11707	5.1
146.66795	3.1
147.11707	11.3
149.13246	28.3
155.10713	5.4
159.11658	21.6
161.13252	5.2
173.11702	20.8
177.12726	14.7
190.20314	3.5
195.13757	4.8
197.56073	2.7
210.63937	3.2
229.14346	42.0
269.17450	100.0
277.21600	12.7
296.23410	3.1
305.39764	3.1
336.12250	3.6
348.25241	4.0
351.25153	43.1
369.26358	30.1
396.86789	3.0
422.22766	21.4
422.29465	5.7
422.34863	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	422.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25372	0.6
51.62126	0.7
57.07088	1.4
57.11365	0.5
58.06606	3.5
66.51348	0.7
70.06580	1.5
72.08154	3.2
73.02917	0.8
86.06102	2.2
87.04468	1.2
89.06051	6.5
92.06727	0.6
94.68458	0.6
100.07626	3.6
112.07554	0.8
118.08715	0.7
119.47046	0.6
124.33292	0.7
130.08617	1.0
132.09265	1.1
132.10216	13.6
148.09677	1.4
152.76596	0.6
176.12807	9.8
226.25319	2.2
228.23152	0.6
250.16484	1.2
286.27396	30.5
298.27481	0.9
306.06485	0.7
329.48218	0.6
330.30020	31.2
330.33905	1.3
404.33621	1.1
422.34769	100.0
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
53.88208	0.6
56.05029	1.1
57.07083	1.2
58.06604	5.0
66.17731	0.5
70.06598	0.9
71.08623	1.0
72.08157	1.3
74.60356	0.6
86.06067	2.3
87.04472	1.5
89.06030	7.6
100.07606	4.7
104.10690	0.7
112.07574	1.0
114.09238	0.6
129.55800	0.6
130.08630	0.8
132.10205	16.4
148.09685	2.5
176.12856	10.3
210.22215	0.8
226.25253	1.1
250.16571	1.2
254.16005	0.7
286.27399	34.6
311.99756	0.6
330.30023	28.0
404.33566	1.1
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	422.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77252	0.5
55.05511	0.6
56.05045	0.9
57.07066	1.2
58.06610	4.5
59.05001	0.8
67.05508	0.6
68.04989	0.5
70.06600	1.2
72.08153	4.3
81.07047	0.7
86.06079	1.1
87.04462	1.3
89.06036	5.9
91.05515	0.8
92.88543	0.6
95.08626	1.0
96.08924	0.7
96.48411	0.6
97.93950	0.5
100.07626	3.9
102.34051	0.6
106.23686	0.7
107.08627	0.6
108.68144	0.5
109.10184	2.1
112.07646	1.0
119.08617	0.8
130.08611	1.0
132.10201	15.2
133.08598	0.6
148.09679	2.2
159.11739	0.6
162.11330	0.7
174.13629	0.6
176.12781	11.0
185.13286	0.7
196.67313	0.7
219.03822	0.8
226.16501	0.8
226.25412	1.1
236.41139	0.7
250.16293	1.1
254.16011	0.8
282.47943	0.6
286.27408	33.8
330.29996	28.9
336.12054	0.7
404.33585	2.9
410.66104	0.7
422.23090	3.5
422.34772	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74879	0.6
54.89436	0.6
55.05512	0.7
69.07081	0.7
70.06580	1.0
72.08154	1.0
73.38255	0.6
84.08163	1.6
85.02922	1.4
86.09711	5.1
91.05460	0.8
92.21203	1.5
93.50104	0.8
95.08582	1.0
99.04432	0.8
103.24810	0.8
105.07052	0.9
107.02018	0.7
107.08611	0.9
113.05717	0.8
119.08607	1.1
120.08103	4.5
127.03881	1.0
133.10117	1.7
134.10536	0.7
136.07576	0.9
147.65184	0.7
167.07005	0.9
173.07109	5.8
175.14825	4.3
185.06577	0.9
191.04861	1.7
243.11299	1.3
261.07373	3.0
261.12296	1.5
267.07483	0.9
275.11005	35.5
295.07263	1.3
313.08151	1.8
382.15591	0.8
405.12350	0.9
405.20834	1.0
423.12619	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	423.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09039	0.3
54.33649	0.4
67.34328	0.5
67.82715	0.5
69.71422	0.5
70.06584	2.4
72.08144	3.5
84.08090	0.9
85.02884	0.7
86.09724	4.5
101.07164	0.5
110.07215	0.6
113.05756	2.2
120.08119	6.0
125.21897	0.4
129.10197	1.0
133.06090	0.5
136.07570	0.7
143.01888	0.6
147.04395	1.0
157.07654	0.8
161.02956	0.6
166.08621	2.0
171.00595	0.7
189.01642	2.5
201.12415	0.6
203.05209	3.3
226.31950	0.6
240.12997	0.5
243.06253	1.1
253.11884	0.9
261.07324	10.0
275.11008	30.1
286.85361	0.5
350.18021	0.5
423.12540	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09039	0.3
54.33649	0.4
67.34328	0.5
67.82715	0.5
69.71422	0.5
70.06584	2.4
72.08144	3.5
84.08090	0.9
85.02884	0.7
86.09724	4.5
101.07164	0.5
110.07215	0.6
113.05756	2.2
120.08119	6.0
125.21897	0.4
129.10197	1.0
133.06090	0.5
136.07570	0.7
143.01888	0.6
147.04395	1.0
157.07654	0.8
161.02956	0.6
166.08621	2.0
171.00595	0.7
189.01642	2.5
201.12415	0.6
203.05209	3.3
226.31950	0.6
240.12997	0.5
243.06253	1.1
253.11884	0.9
261.07324	10.0
275.11008	30.1
286.85361	0.5
350.18021	0.5
423.12540	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19642	0.8
55.05525	1.1
56.05005	0.9
61.02940	1.0
69.03430	5.3
70.06594	34.6
72.08152	1.0
81.03441	2.0
81.07066	3.9
83.08660	1.9
84.04531	1.6
84.08141	17.2
85.02907	15.3
86.09702	10.1
97.02895	7.7
98.06035	4.1
99.04443	3.6
101.73282	1.0
103.03953	21.2
109.02875	3.8
109.06555	1.3
116.07079	3.6
120.08096	5.1
126.05564	4.3
127.03922	23.2
129.10237	11.7
129.84676	1.0
136.07607	5.6
137.05948	1.7
145.04945	10.8
163.06007	11.0
166.83772	1.3
173.21191	1.0
174.86203	1.0
180.06348	1.0
180.07773	2.0
183.14899	4.2
183.53589	0.9
187.01962	1.5
194.08162	1.9
195.11220	1.6
199.01750	1.2
211.14426	4.4
213.12315	17.2
223.03976	1.3
234.99123	4.1
247.03961	6.2
271.08139	2.0
271.59500	1.1
289.09015	1.6
307.10257	4.0
310.17578	2.4
349.07214	1.4
423.16315	100.0
423.25562	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	423.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41210	1.4
55.43871	1.5
56.05040	11.1
56.22333	1.5
58.06597	1.8
60.43699	1.1
69.03436	23.6
70.06595	6.2
71.65108	1.2
72.08163	2.7
74.06084	98.5
84.04507	9.9
84.08157	8.2
86.09688	2.1
93.84948	1.4
98.09695	1.4
99.04429	2.0
101.07153	9.4
102.05540	3.5
116.07114	3.6
116.10742	7.1
119.08199	1.8
120.06621	1.9
120.08111	8.5
125.07110	2.7
129.06636	3.0
129.10258	3.5
130.05011	7.4
130.06523	86.6
132.04456	12.2
138.05498	11.4
143.32588	1.9
145.09738	3.5
146.06032	1.8
147.04457	1.7
157.07602	27.6
158.06023	18.7
159.07784	2.4
159.09203	12.1
171.07655	12.9
173.07095	11.1
174.05528	2.7
175.08658	38.1
185.07088	11.8
187.08655	32.9
197.07291	2.5
199.08710	1.8
203.08156	3.2
223.10905	2.0
232.10915	5.8
237.02832	1.7
241.09665	11.7
258.12378	3.3
259.10760	1.7
260.10278	2.1
261.13138	3.3
269.09299	18.8
272.12457	10.1
276.13516	14.7
280.06387	1.6
286.11835	9.3
287.10339	2.6
304.12915	72.3
322.14020	6.0
327.09906	2.3
344.12250	2.0
361.15323	1.7
387.16702	2.4
398.77045	1.7
405.13168	3.0
405.14667	2.8
405.17984	18.8
420.13120	1.8
423.12662	5.6
423.18542	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	423.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.9
55.05531	9.7
56.05849	2.0
58.99590	1.3
69.03421	1.3
72.04523	1.3
83.08631	25.4
83.60274	0.8
84.04500	9.2
84.08957	10.9
85.02913	1.5
85.04845	1.3
86.09696	0.9
90.05559	1.2
91.05505	1.7
91.30212	0.7
92.05849	1.2
97.02876	1.0
104.01701	3.5
106.35027	0.9
113.07143	0.8
116.01662	12.4
117.02051	1.8
129.06601	5.3
130.04999	2.0
141.06573	1.1
156.32278	0.9
158.02715	100.0
159.03062	52.7
159.08434	15.1
160.08746	13.6
176.03764	38.0
177.04121	22.1
271.72083	0.9
276.12543	11.6
277.10187	1.4
277.12988	25.9
277.15842	1.0
290.13757	0.9
293.15320	18.8
294.15628	48.1
333.14804	1.2
334.14838	6.8
344.42532	1.0
393.53989	1.1
405.18710	1.6
423.13745	1.9
423.19894	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	423.2142
Annotation	Lys Glu Phe
Peak:m/z	Relative Intensity
55.05537	1.5
55.23870	1.4
57.56241	1.5
60.12723	1.4
61.16996	1.6
62.19519	1.6
67.05508	7.5
69.07066	2.4
70.15712	1.8
78.29876	1.6
79.05515	1.8
81.07071	8.9
83.08595	1.8
93.07064	3.7
95.08612	10.5
103.57459	1.7
107.08604	7.3
109.10161	11.5
119.08569	2.0
121.10128	3.7
131.08585	2.6
133.10141	2.5
135.11667	2.0
139.11143	2.3
145.10158	2.3
147.11699	2.6
149.13206	2.3
159.11687	3.3
173.13269	2.5
351.17325	4.2
423.21472	100.0
423.26990	5.0
423.36005	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	423.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
62.39955	1.3
65.86957	1.3
67.05510	14.1
69.07079	1.8
79.05499	2.7
81.07064	6.5
92.20975	2.0
93.07053	3.7
95.08611	10.9
107.08575	3.4
109.10160	15.5
119.08550	2.6
121.10142	2.8
123.11688	1.9
131.08638	1.4
133.10115	6.8
134.41483	1.7
135.11705	2.8
145.10118	2.3
147.11700	2.8
149.13240	2.9
149.71210	1.7
159.11563	1.7
172.51089	1.6
243.25404	2.1
343.59991	1.6
423.21378	100.0
423.27216	24.2
423.36353	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	423.2236
Annotation	1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.05512	6.1
56.05035	1.6
56.39357	1.0
58.89353	0.9
60.04504	0.9
66.69379	0.9
70.06591	5.2
72.04530	1.2
72.08160	100.0
74.06074	2.0
76.05122	1.9
84.04488	1.7
84.08167	2.5
84.58287	1.2
86.06039	1.1
86.09703	6.1
91.05462	1.1
102.05535	1.2
110.07137	1.8
112.05032	1.6
116.07040	1.5
116.08234	1.7
120.06671	4.0
120.08099	71.4
129.10216	2.5
130.05003	1.9
136.07574	2.0
158.02661	2.2
159.03004	1.3
159.32394	1.2
166.98077	1.1
176.03697	1.1
177.10220	48.7
201.12415	4.9
205.09729	21.3
219.13393	21.7
223.10710	2.2
246.12512	1.2
259.14383	5.8
304.16525	22.9
405.21378	7.5
423.23367	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	423.2353
Annotation	Thr Phe Arg
Peak:m/z	Relative Intensity
52.69029	0.5
53.93628	0.5
56.39423	0.5
64.83879	0.5
65.64260	0.5
81.07045	1.3
81.51423	0.6
95.08617	3.1
107.08596	0.7
109.10156	2.7
119.08598	0.8
121.10135	1.3
121.78422	0.6
123.11675	0.9
131.08379	0.6
131.81207	0.6
135.11737	1.3
147.11655	0.7
161.13177	0.9
173.13345	0.8
175.14900	0.9
201.16458	0.8
248.02512	0.6
265.08081	0.7
295.15070	0.7
335.18216	1.4
357.15552	0.7
391.25787	4.6
423.23517	100.0
423.27771	5.0
423.35834	11.1
440.49872	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	423.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90328	0.4
58.76116	0.4
59.27455	0.4
60.19674	0.4
60.27829	0.4
61.66053	0.4
64.70634	0.4
67.05507	3.4
69.07065	0.9
70.50269	0.4
79.05508	0.6
81.07064	3.0
83.08606	0.7
91.05460	0.7
93.07038	1.1
95.08605	3.9
100.66615	0.4
105.07041	0.8
107.08590	3.8
109.10165	4.2
119.08585	1.9
121.10122	2.0
123.11695	0.5
127.11178	0.9
133.10181	1.7
135.11694	1.7
136.52237	0.6
141.05830	0.4
145.10083	0.9
147.11687	1.9
149.13257	1.9
159.11696	0.9
161.13206	0.8
173.13338	0.9
175.14832	0.8
187.14845	1.0
189.16373	0.6
192.10344	0.5
199.14746	0.4
201.16394	0.6
203.21260	0.5
229.96474	0.4
239.18002	0.6
260.20340	0.6
269.22705	0.6
357.59784	0.5
423.23474	100.0
423.35898	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	423.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
66.14993	0.7
67.05508	2.3
69.07050	0.8
79.05453	0.6
81.07072	2.7
83.08615	0.5
92.21410	0.9
93.07021	1.2
95.08608	1.1
103.12592	0.7
105.07045	0.7
107.08609	1.0
107.80782	0.5
107.89623	0.6
109.10166	3.3
117.06977	0.6
119.08577	0.8
121.10110	2.4
127.60580	0.6
133.10127	1.4
135.11652	1.2
137.13176	0.7
145.10152	1.4
147.11700	0.9
161.13327	0.8
322.52899	0.7
349.19794	0.9
388.57144	0.6
423.23508	100.0
423.36005	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	423.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15010	0.5
56.05034	1.4
58.90785	0.5
59.72812	0.5
70.06594	4.9
72.08160	9.3
83.06118	6.5
84.04512	12.8
84.08147	100.0
85.02946	0.9
85.06544	1.2
86.09707	16.7
95.11318	0.6
101.07167	1.0
101.10798	4.9
102.05557	4.4
111.09238	1.0
112.03892	0.7
112.07588	0.7
119.04957	1.1
120.08103	37.1
129.06610	1.4
129.10242	79.0
130.05040	3.1
133.06262	0.7
133.96526	0.6
136.07565	9.2
141.10262	0.7
143.11775	0.8
148.06062	8.5
150.65749	0.6
152.14369	1.4
166.08617	11.1
167.08170	3.2
177.10233	16.4
182.08136	1.3
189.12331	2.9
191.11740	0.8
195.07663	0.9
197.16536	6.6
205.09731	4.8
207.11327	3.1
212.10324	5.5
213.08676	1.0
213.12379	1.0
219.09753	10.7
219.11563	0.8
224.17696	4.1
226.15253	0.9
231.11359	1.0
235.10783	0.9
240.09892	0.8
242.18704	4.2
244.16370	0.9
258.10849	1.4
272.27356	0.7
276.13571	4.8
295.16611	1.2
405.17505	6.2
406.15604	0.9
423.09378	1.1
423.18774	6.3
423.26129	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	423.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	12.8
57.03451	5.7
67.05511	57.3
69.03421	11.4
69.07066	25.7
79.05489	33.3
81.03425	23.7
81.07061	51.9
83.04969	7.9
83.08615	8.3
85.02916	7.2
91.05466	25.4
93.07037	59.3
95.04966	9.4
95.08604	55.3
97.02886	6.1
97.06555	7.2
99.23087	4.8
105.07057	36.7
107.08598	46.2
109.10149	45.7
117.07035	8.3
118.60552	5.2
119.08568	35.5
121.10132	33.9
123.11691	11.8
123.99104	5.1
129.06969	7.3
131.08594	32.5
133.10123	42.7
135.11687	42.6
143.08467	6.4
145.10114	25.3
147.11679	30.2
149.13293	23.6
157.10120	8.7
159.11684	27.5
161.13257	10.3
163.14728	6.9
171.11708	23.9
173.13257	23.0
175.14778	11.1
179.14288	8.3
183.11679	6.4
185.13231	12.8
187.14763	8.8
192.04335	4.8
224.58710	5.3
225.61917	5.4
241.19489	9.1
259.20602	7.2
261.22128	10.4
358.47302	4.9
369.24283	32.6
387.25198	34.0
400.26321	6.5
405.26385	47.3
423.27173	71.0
423.36111	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2738
Annotation	Lovastatin acid
Peak:m/z	Relative Intensity
50.16597	1.8
55.05516	12.7
67.05513	36.4
68.82904	2.0
69.03426	13.3
69.07071	16.1
70.06601	2.2
71.04984	4.7
79.05498	27.4
81.03426	17.1
81.07064	52.3
83.04994	5.0
83.08617	8.9
85.02896	9.7
85.06549	3.7
91.05451	19.6
93.07033	49.0
95.04956	4.3
95.08601	50.1
97.02917	9.2
97.06550	3.7
97.10180	3.0
97.46548	2.6
99.04447	3.4
105.07031	29.7
107.08595	35.3
109.06548	3.1
109.10154	35.2
111.04457	2.6
117.07022	5.8
119.08589	31.6
121.10126	32.9
123.08040	4.8
123.11717	10.6
125.09769	2.5
127.03902	2.3
129.06995	4.3
131.08571	23.1
133.10127	26.2
135.11690	30.2
137.09567	2.5
143.08572	9.4
145.10121	24.9
147.07840	2.4
147.11685	24.6
149.09579	3.9
149.13245	17.7
157.10141	4.2
159.11674	19.1
161.09398	2.8
161.13264	18.7
163.14830	12.7
165.12831	2.5
167.08620	2.3
169.10182	3.0
171.11670	9.5
173.13251	22.1
175.14853	11.7
181.10109	2.7
183.11656	3.2
185.13284	9.6
187.14803	14.1
191.14330	2.5
197.13164	4.3
199.14696	3.7
201.16443	9.4
227.18192	3.3
243.20869	2.9
259.20514	8.6
261.22095	14.8
278.45746	2.6
285.22208	3.3
287.27612	16.1
289.21756	3.4
291.23093	3.3
303.23123	9.4
307.73639	2.7
331.30121	17.1
333.17584	2.3
341.24658	3.0
369.24197	22.8
387.25287	24.8
405.26392	41.7
405.35080	9.4
423.27350	42.7
423.35550	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44240	3.3
52.65726	3.1
55.01883	5.2
55.05278	3.0
55.05517	26.0
56.96564	3.7
57.03439	9.7
57.07079	6.5
67.03098	3.5
67.05514	92.9
68.57691	3.4
69.03432	34.8
69.07072	32.7
71.04992	8.1
77.98496	3.9
79.05494	66.7
81.03432	43.7
81.07067	96.9
83.05002	6.0
83.08624	19.2
85.02901	19.5
85.06569	6.4
91.05481	39.2
93.07049	88.4
95.04954	8.9
95.08613	78.5
97.02889	4.3
97.06476	4.3
97.10210	6.2
97.66271	4.2
98.97577	6.9
99.04472	8.3
105.07057	41.5
107.04959	4.3
107.08588	50.9
109.06502	7.6
109.10143	52.1
111.04411	8.3
111.08089	5.2
116.98609	5.2
117.07016	20.4
119.08587	49.3
121.10140	55.2
123.08055	8.0
123.11719	7.0
127.03935	7.2
127.64194	4.4
129.06964	8.4
131.08563	52.8
133.10139	51.3
134.99664	4.5
135.08061	9.3
135.11702	39.4
143.08606	9.4
144.26381	4.2
145.10133	38.5
147.11710	31.4
149.09595	6.3
149.13255	25.3
157.10124	17.3
159.11696	31.2
161.09579	6.2
161.13213	17.0
165.12706	4.4
169.02785	3.8
169.10014	4.3
171.11703	19.2
173.13249	28.2
175.14836	8.6
179.14397	7.0
183.11748	7.5
187.11316	5.7
187.14854	7.1
201.12866	5.1
243.20827	6.4
259.20590	9.4
261.22177	33.4
265.10986	4.8
269.10544	19.2
277.21472	5.6
283.12164	17.2
285.21735	4.9
303.23148	22.5
315.22971	5.1
345.24493	5.4
351.23215	16.3
369.24234	33.3
387.25388	47.7
405.26318	77.0
423.20532	32.4
423.27307	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	423.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	1.4
68.04047	0.9
69.13498	1.2
71.25288	1.1
79.12060	0.8
81.07063	2.6
95.08585	1.6
97.90028	1.1
98.46731	1.1
107.08589	1.6
109.10180	1.8
121.10125	1.2
126.69794	1.1
161.13213	1.4
178.13129	1.2
194.11530	100.0
208.13440	1.1
229.14363	1.2
230.14801	1.5
250.17802	4.1
252.15689	81.3
270.17654	2.1
423.23456	19.0
423.28220	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	423.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	3.3
57.03434	1.2
57.07077	1.1
57.32793	0.6
67.05517	5.0
69.07066	8.5
71.04977	1.2
71.08634	1.3
79.05501	3.0
80.11329	0.8
80.80001	0.7
81.07059	8.6
83.04976	1.1
83.08616	4.3
85.06571	0.8
91.05485	1.2
92.21522	0.9
93.07049	6.9
95.08611	7.9
97.06548	0.9
97.10181	0.8
105.07046	3.4
107.08604	8.1
109.06510	5.3
109.10152	4.2
111.08087	1.0
119.08581	4.9
121.10127	5.5
123.08060	35.2
123.11683	1.6
125.09640	0.9
127.68900	0.8
131.08566	1.5
133.10156	4.7
135.08018	4.9
135.11691	4.5
137.09648	3.2
137.13191	0.7
145.10164	3.3
147.11707	4.6
149.09651	3.8
149.13269	3.1
159.11690	1.6
161.13275	2.9
163.11157	1.4
163.14848	0.8
165.12718	1.2
175.14754	0.8
177.12790	6.5
179.14291	14.4
183.11661	1.0
187.14825	1.0
189.41795	0.7
195.87610	0.7
199.24930	0.7
203.17970	0.7
233.19037	1.3
247.20613	1.4
268.45911	0.7
275.20056	7.3
293.21075	1.4
303.26843	4.7
313.25235	1.0
331.26315	23.7
331.33356	0.7
367.24945	0.9
423.31055	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.8
55.05518	3.3
57.07066	1.3
67.05514	11.0
69.07066	7.0
69.64853	1.1
69.88621	1.3
71.04998	1.6
71.08621	1.8
74.47100	1.4
77.69802	1.3
79.05502	6.4
81.03410	1.4
81.07063	15.7
83.08605	2.7
91.05433	1.7
93.07057	9.2
95.08616	16.3
97.02874	5.9
97.06557	2.7
99.04461	1.8
99.08112	1.6
105.07045	2.5
107.08617	6.9
109.02875	2.5
109.06537	6.2
109.10190	5.9
112.83592	1.2
119.08600	5.9
121.10155	8.5
123.08089	23.4
123.11728	3.3
127.03910	5.0
131.08598	1.6
133.10178	5.6
135.08069	2.6
135.11714	3.1
147.11664	3.2
149.09586	1.9
149.13336	2.2
152.84334	1.4
159.11765	1.7
161.13275	3.3
173.13399	1.5
177.12723	5.2
179.14307	37.6
237.17259	1.5
261.22040	2.6
275.20084	6.0
293.21188	4.9
331.26233	17.2
349.27417	5.9
423.31091	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.31
Annotation	19-(3-methyl-butanoyloxy)-villanovane-13alpha,17-diol
Peak:m/z	Relative Intensity
51.81417	0.5
53.17766	0.6
54.43169	0.6
55.05512	3.1
57.03446	1.3
57.07060	1.2
67.05496	4.6
69.07070	6.5
69.37599	0.6
71.04985	0.9
71.08634	1.3
79.05490	1.4
81.07050	7.5
83.02505	0.6
83.08609	3.6
85.16942	0.6
87.08613	0.6
91.05468	0.9
93.07027	5.8
95.08635	6.6
97.06519	2.7
99.08089	1.0
105.07027	4.1
107.08594	7.8
109.06522	5.6
109.10158	3.2
111.08079	1.1
119.08573	4.2
121.10183	5.2
123.08060	29.4
131.08595	1.3
133.10117	3.7
135.08061	5.1
135.11717	3.5
137.09602	3.2
145.10168	1.2
147.11703	4.4
149.09669	2.4
149.13245	1.4
159.11685	3.1
165.12721	1.5
173.13278	1.1
177.12727	5.8
179.14287	28.9
193.15837	1.1
204.64038	0.7
205.15836	0.9
217.92143	0.7
233.19083	1.2
247.20572	3.1
263.20172	1.3
275.20035	7.3
282.91788	0.8
303.26813	4.6
331.26315	23.9
349.27347	1.1
367.24734	1.1
423.31021	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	423.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38717	0.6
54.52043	0.7
55.05520	1.8
57.03428	0.9
58.48405	0.9
59.47974	0.7
64.01447	0.7
67.05498	3.4
68.17376	0.9
69.07066	7.3
71.04992	0.9
71.08607	0.8
79.05501	1.8
81.07072	9.3
83.08617	3.2
84.85130	0.7
91.05439	1.4
93.07048	4.9
94.80167	0.8
95.08595	9.6
97.06541	1.5
97.10192	0.9
102.80739	0.8
105.07043	1.5
107.07954	1.0
107.08601	6.0
109.06512	4.4
109.10158	3.2
111.08104	1.6
119.08580	5.2
121.10205	6.3
123.08073	32.2
123.11735	1.9
127.85757	0.8
131.08553	1.1
133.10126	5.1
135.08058	4.3
135.11699	4.9
137.09641	3.9
139.64433	0.9
141.02174	0.9
145.10161	3.5
147.11722	3.6
149.09648	1.9
149.13261	3.5
151.11101	0.9
159.11673	1.4
161.13246	1.0
162.96277	0.8
177.12762	4.0
177.16487	1.1
179.14287	14.6
187.14828	0.9
247.20528	0.9
275.20084	6.8
277.21686	1.2
293.21106	6.0
303.26880	2.8
331.26251	16.2
349.27267	4.0
367.24866	1.5
423.31033	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	423.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39772	1.5
55.05503	8.3
67.05508	24.1
69.07085	14.7
71.13380	1.9
79.05499	8.7
81.07062	43.0
83.08622	11.1
91.05488	3.8
93.07047	23.1
95.08609	39.3
97.06522	2.7
97.10165	3.2
105.07038	11.7
107.08597	22.4
109.10152	29.2
111.08067	3.8
119.08561	15.7
121.10149	17.7
123.11726	3.3
131.08556	3.6
133.10135	14.6
135.11705	13.1
144.66034	2.3
145.10106	14.1
147.11690	11.9
149.13278	10.7
157.10109	2.1
159.11629	6.9
161.13257	4.8
163.14853	3.0
171.11641	3.7
173.13312	8.6
175.14818	2.9
177.12799	2.1
179.14305	12.6
185.13229	3.7
187.14938	2.8
189.16446	2.7
199.14862	2.4
201.16364	3.5
215.17877	2.8
238.87843	2.2
331.26318	3.0
353.28363	6.7
370.31058	11.0
371.29593	18.1
388.32001	32.4
389.30502	11.2
405.34830	7.6
406.33160	24.5
423.30872	9.7
423.35861	100.0
436.57260	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	423.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29586	1.7
55.05502	2.3
57.07075	1.7
58.54832	1.8
67.05505	25.6
69.07067	12.5
72.70322	2.0
79.05505	10.6
80.33385	1.8
81.07063	41.1
83.08627	10.3
85.03229	2.1
86.17244	1.8
91.05492	3.8
93.07029	21.9
95.08611	35.8
97.06532	8.0
97.10116	1.8
98.89232	1.8
105.07034	10.5
107.08597	16.8
108.88026	2.1
109.10147	19.8
118.12296	2.0
119.08573	11.0
121.10129	16.3
123.11739	3.4
131.08592	11.1
133.10138	8.2
135.11761	14.1
144.82413	2.1
145.10133	8.2
147.11707	8.9
149.13271	4.6
157.10141	4.7
159.11699	8.0
171.11708	3.5
173.13243	4.3
175.11182	3.1
185.13246	3.9
195.47818	2.1
221.74176	1.9
248.19933	2.3
312.53189	2.2
320.60703	2.2
340.25250	2.4
342.80533	2.0
353.28394	4.4
370.31079	11.9
371.29352	21.4
388.32095	36.4
389.30496	11.9
400.26761	2.3
405.34738	9.4
406.33115	26.9
423.35815	100.0
445.33789	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	423.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	4.6
57.07055	0.9
58.45099	0.7
59.05022	0.8
61.81424	0.6
67.05509	8.2
69.07072	17.5
76.57987	0.7
79.05495	3.4
81.07061	14.8
81.80538	0.7
83.08617	7.9
89.71357	0.7
91.05498	1.7
91.40741	0.7
93.07054	9.5
95.08606	24.7
97.10149	4.1
105.07026	12.0
107.08590	20.9
107.09261	1.3
109.06530	1.0
109.10154	38.7
111.08113	1.0
111.11719	1.6
111.49558	0.7
119.08569	21.8
121.10140	19.0
123.11709	11.7
131.08580	6.5
133.10133	17.5
135.11697	17.6
137.09702	0.7
137.13264	4.7
143.08559	1.8
145.10106	14.5
147.11674	18.6
149.13229	6.5
151.11163	1.5
151.14877	0.9
153.12828	0.8
156.09410	1.0
157.10103	5.6
159.11685	15.8
161.13229	12.9
163.11153	1.0
163.14847	4.6
169.10144	1.2
171.11661	6.6
173.13167	8.0
175.14841	8.8
177.16425	1.3
179.14351	1.9
182.60626	0.9
183.11682	1.6
185.13252	7.4
187.14809	12.1
189.16408	14.5
191.17946	4.0
197.13298	1.9
199.14796	6.0
201.16357	14.0
203.14262	1.0
203.17943	10.7
207.47653	0.9
213.16362	3.1
215.17938	5.4
217.19530	6.3
219.17465	1.1
219.20993	1.0
223.14690	1.1
225.16389	1.5
227.17903	2.8
229.19586	1.0
233.19032	1.5
239.17947	3.4
243.20979	1.3
253.19539	1.1
255.20987	1.3
267.21115	3.2
271.20657	0.8
273.95544	0.9
294.87564	1.0
295.24255	1.4
299.23846	1.0
310.94122	0.9
323.27426	1.1
340.68042	0.9
365.32166	1.0
388.32059	1.1
404.07739	0.9
405.35153	16.3
423.36194	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97345	2.8
53.30309	2.8
55.05521	5.2
57.07076	3.5
67.05505	14.0
69.07063	16.7
79.05506	7.6
81.07056	25.6
83.04980	5.1
91.05489	12.3
93.07065	28.1
95.04973	3.3
95.08601	46.4
97.10233	3.4
105.07047	19.7
107.08614	34.7
109.10175	46.1
117.07048	3.4
119.08570	31.1
121.10150	35.0
122.94595	3.2
123.08063	16.1
123.11713	15.4
125.79110	3.9
131.08595	6.3
133.10164	18.2
135.08047	6.0
135.11699	20.9
137.09628	4.2
143.08589	4.6
143.30455	3.5
145.10127	17.1
146.23766	3.6
147.11685	17.0
149.13280	18.3
157.10149	4.7
158.10826	3.1
159.11665	21.9
161.13240	18.5
163.14806	7.8
169.10194	7.1
171.11681	6.8
173.13290	14.2
175.14854	16.0
177.16344	3.9
179.14291	24.0
183.11610	4.9
185.13330	4.3
187.14845	7.0
189.16370	12.2
199.14905	4.4
201.16397	14.5
203.17949	6.2
211.14893	5.3
213.16432	5.1
215.17969	3.8
217.19458	4.2
225.16422	4.2
227.17908	3.7
331.26019	4.4
358.26096	4.4
405.35153	20.8
420.24072	3.6
423.30896	25.8
423.36121	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	1.9
57.07072	1.7
67.05506	9.3
69.07069	7.8
79.05490	2.2
81.07063	18.7
83.08633	6.7
86.87110	1.3
87.89405	1.1
93.07055	14.7
95.08604	50.6
97.10179	5.3
105.07057	14.1
107.08604	26.6
109.10157	38.9
111.08086	7.6
119.08584	22.5
121.10140	26.3
123.11718	12.5
131.08647	1.6
133.10121	25.5
135.11688	21.2
137.13245	2.9
143.08514	1.5
145.10175	10.2
147.11682	18.1
149.13284	14.7
157.10103	1.9
159.11665	12.9
161.13269	15.7
163.14813	7.4
169.04770	1.7
173.13232	12.1
175.14833	12.1
177.16335	10.4
185.13263	1.6
187.14832	9.6
189.16412	12.9
191.17851	4.3
199.14847	2.7
201.16357	18.6
203.17944	20.9
205.15884	1.8
205.19485	1.8
213.16444	6.3
215.17952	11.1
217.15948	2.4
217.19569	9.8
219.17371	2.1
227.18001	6.5
229.19501	5.8
241.19513	6.7
241.69687	1.4
243.20993	3.0
255.21135	7.1
257.22766	6.7
269.22717	7.0
281.22656	1.8
337.16098	1.5
352.98718	1.3
365.32162	2.3
405.35175	5.2
423.23566	21.6
423.36295	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3618
Annotation	Cornusalterin D
Peak:m/z	Relative Intensity
51.79217	1.3
51.93972	1.2
55.05514	6.0
57.07075	2.2
67.05504	23.3
69.07066	22.8
76.11137	1.6
79.05473	3.1
79.79502	1.4
81.07063	27.7
83.08614	9.2
89.63285	1.5
90.68894	1.3
91.05466	2.9
93.07048	16.3
95.08611	35.2
97.10167	6.7
105.07041	10.5
107.01830	1.5
107.08594	20.4
109.10157	55.0
111.11693	2.9
119.08577	17.6
121.10123	22.7
122.19333	1.5
123.11727	13.1
131.08534	6.9
133.10095	11.7
135.11682	13.7
137.13304	2.2
145.10114	15.6
147.11668	15.5
149.13255	17.1
151.14804	1.6
157.10129	3.6
159.11711	11.3
161.13266	13.6
163.14813	7.2
171.11668	3.5
173.13268	8.3
175.14853	12.0
175.51994	1.5
177.12770	1.7
177.16351	6.7
183.11758	2.4
185.13254	2.8
187.14836	11.0
189.16397	8.2
191.17929	2.3
199.14861	2.2
201.16351	15.0
203.17981	11.0
205.19547	2.5
208.04469	1.7
213.16295	2.8
215.17960	3.1
227.17851	2.6
231.17438	3.7
235.88403	1.6
243.21014	2.1
253.19431	1.7
255.21214	2.1
299.59674	1.5
311.23672	1.7
365.31854	2.5
405.35190	19.7
423.27933	11.0
423.29242	10.2
423.36124	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3622
Annotation	Cornusalterin D
Peak:m/z	Relative Intensity
53.05988	1.3
55.05517	3.0
57.05876	1.1
61.30750	1.2
63.68779	1.1
64.10936	1.5
67.05504	14.7
69.07078	11.9
69.97276	1.2
79.05506	6.7
81.07071	19.5
83.08634	5.5
91.05458	1.4
93.07041	11.6
95.08604	43.0
97.10197	3.1
105.07055	11.5
107.08600	22.1
109.10163	31.0
111.08094	7.1
119.08592	14.0
121.10140	24.6
123.11720	11.1
131.08585	5.8
133.10135	15.7
135.11705	17.3
137.13264	2.9
145.10161	9.2
147.11684	18.6
149.13277	11.8
157.10201	1.7
159.11662	11.1
161.13268	12.1
163.14862	9.8
171.11662	2.4
173.13268	7.0
175.14830	7.8
177.13008	1.9
177.16429	7.0
185.13283	2.5
187.14861	9.1
189.16429	8.3
191.17982	2.5
199.14850	2.3
199.85907	1.6
201.16389	15.2
203.17975	15.9
213.16484	1.8
215.18011	7.1
217.16010	1.9
217.19519	7.2
219.17603	2.7
227.17944	3.1
229.19547	8.2
241.19542	2.4
243.21149	7.1
255.21060	3.5
257.22665	3.1
269.22665	5.7
280.86200	1.4
287.24524	1.4
287.27835	6.5
331.30380	7.0
331.56149	1.7
365.32050	1.9
405.34903	3.4
423.21460	26.9
423.27255	10.2
423.36078	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	423.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00320	1.3
53.95752	1.5
54.40355	1.3
55.05523	2.0
55.74167	1.4
60.34085	1.4
61.15432	1.6
63.45099	1.5
67.05505	2.7
67.16541	1.5
67.28269	1.7
69.07083	13.3
69.07388	1.6
71.04989	9.3
74.87318	1.5
81.07066	17.3
83.08609	7.5
91.05466	2.6
93.07045	10.5
95.08601	27.3
95.14072	1.7
99.71030	1.8
105.07061	12.4
107.08595	20.1
109.10151	38.6
117.07032	2.6
119.08562	17.6
121.10178	18.2
123.08094	1.9
123.11712	7.6
127.11184	19.6
131.08580	4.1
133.10135	14.7
135.11711	10.4
137.13274	2.5
140.90584	1.7
145.10170	15.0
147.11728	19.5
148.65137	1.9
149.13277	9.6
157.10104	2.8
159.11708	16.1
160.33427	1.9
161.13257	14.8
163.14842	6.9
171.11653	6.8
173.13271	15.4
175.14883	12.4
185.13168	2.7
187.14793	16.1
189.16396	7.2
199.14769	3.1
201.16374	15.9
203.18021	4.1
213.16512	1.8
215.18025	1.6
217.19495	3.1
227.17935	3.1
229.19479	3.8
241.19473	7.4
255.21100	7.6
334.21643	1.9
405.34924	8.6
423.30621	4.1
423.36105	100.0
436.88156	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	423.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02711	0.4
55.05518	3.5
57.07080	1.2
64.66161	0.5
65.57426	0.5
65.87864	0.6
67.05509	7.8
67.63020	0.5
67.91911	0.5
69.03426	0.9
69.07074	12.9
71.04990	0.5
71.08649	0.7
79.05490	2.7
81.03445	0.7
81.07065	16.0
83.08625	5.3
85.06572	0.6
91.05493	2.7
93.07034	7.5
95.04940	0.9
95.08615	23.0
97.06537	0.6
97.10173	3.7
102.46609	0.5
105.07030	5.4
107.08591	14.4
109.10156	18.6
111.08058	1.1
111.11756	2.6
117.07019	2.4
119.08583	11.6
121.10136	13.9
123.08057	2.7
123.11700	6.6
125.09631	0.7
129.07040	1.0
131.08580	4.9
132.76305	0.6
133.10136	11.7
135.08049	0.9
135.11681	9.4
137.09657	0.8
137.13274	2.5
141.07050	0.7
143.08583	5.1
145.10139	9.7
147.11685	9.1
149.13303	5.6
151.14813	0.6
155.08597	0.7
157.10133	5.9
159.11696	11.6
161.13225	7.5
163.14836	3.6
169.10164	3.0
171.11740	7.4
173.13255	8.2
175.11227	0.6
175.14775	4.3
177.16411	1.1
179.14311	4.6
183.11746	3.3
185.13252	5.5
187.14795	4.8
189.16479	2.6
197.13310	2.4
199.14850	4.0
201.16376	3.3
209.13281	0.6
211.14903	2.5
213.16385	8.0
215.17967	2.9
225.16373	2.3
227.17957	9.4
229.19461	4.0
231.17613	2.1
239.17955	6.7
241.19510	3.6
243.21213	0.9
243.25174	0.9
245.18990	1.0
253.19569	3.6
255.21037	2.2
257.19083	4.5
257.22595	0.7
259.20575	1.3
261.22119	1.4
267.21249	0.8
269.22763	2.6
271.20667	1.3
281.22705	1.1
283.24246	3.4
295.24377	0.9
311.27383	3.2
331.26266	0.9
337.28818	1.1
340.25592	0.7
340.59451	0.7
381.90433	0.7
387.25159	0.8
393.35269	4.8
405.26669	0.9
405.35187	11.3
423.31400	4.0
423.36157	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64555	2.1
55.05521	1.6
58.87497	1.5
67.05505	3.3
69.07072	11.8
75.89509	1.9
79.05513	1.8
81.07061	18.0
83.08628	3.3
91.05482	2.1
93.07047	11.9
93.35490	1.7
95.08607	38.8
100.11232	14.4
105.07007	13.1
107.08587	27.9
109.10160	45.0
111.08129	6.8
119.08575	24.6
121.10140	28.5
123.11714	16.3
131.08534	2.3
133.10117	23.1
135.11696	17.6
137.13249	3.5
139.11189	7.4
145.10170	8.3
147.11685	22.0
149.13261	15.4
159.11655	12.7
161.13234	15.3
163.13631	1.7
163.14874	10.5
171.11658	2.1
173.13257	4.5
175.14833	11.0
177.16396	7.7
187.14841	11.9
189.16385	14.2
191.17844	6.3
201.16397	14.0
203.17943	22.6
213.16383	3.1
214.99838	2.1
215.17981	9.0
217.19585	10.4
219.17511	8.0
227.18018	3.4
229.19513	3.7
241.19354	2.8
255.21220	2.5
257.22531	3.3
269.22678	3.3
271.20755	1.9
365.32452	3.1
405.35254	8.6
423.36246	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.1
57.07066	3.4
57.85495	0.8
59.45155	0.7
63.62669	0.7
65.27774	0.8
67.05512	9.9
69.07072	18.3
71.08635	1.6
78.54596	0.8
79.05495	4.2
81.07066	20.0
83.08617	5.8
85.06528	0.9
91.05472	5.8
93.07046	12.5
95.04985	0.8
95.08615	26.5
96.04377	0.8
97.10162	4.0
105.07015	12.0
107.08612	19.5
109.06528	1.6
109.10158	33.6
111.08051	1.6
111.11697	2.1
117.06995	1.7
118.79688	0.8
119.08578	16.6
121.10156	20.0
121.43321	0.9
123.08038	3.8
123.11074	0.9
123.11720	12.7
129.06958	1.1
129.12732	1.1
131.08566	7.9
133.10141	16.8
135.08066	1.3
135.11699	12.9
137.09668	0.9
137.13271	3.6
143.08562	4.1
145.10156	13.0
147.11708	15.7
149.02426	1.2
149.13260	10.3
151.11174	0.9
151.14850	1.2
154.13336	1.0
155.08531	1.0
157.10094	7.5
159.11713	13.6
161.13264	10.3
163.14801	5.8
165.12738	1.5
169.10117	3.6
171.11723	8.8
173.13237	8.0
175.14861	9.8
177.12770	1.6
177.16415	5.3
179.14288	12.0
183.11714	1.6
185.09477	0.9
185.13278	5.1
187.14810	7.7
189.16391	7.3
191.17941	1.8
196.72032	1.1
197.13281	2.2
199.14803	4.9
201.16379	10.4
203.17899	9.9
211.14839	1.7
213.16412	4.9
215.17976	6.1
217.19496	4.5
225.16312	1.8
227.17892	2.2
229.19456	4.4
231.17555	1.3
239.17963	2.1
243.21158	1.8
245.18967	1.2
245.22603	10.2
253.19324	1.6
255.21162	1.6
255.29292	1.0
257.22708	1.4
267.21027	1.6
269.22534	7.1
281.22641	1.3
283.24130	4.5
311.23648	4.8
323.27356	1.6
331.26273	1.9
349.28665	0.9
364.25558	1.1
366.04367	1.2
405.35257	17.4
423.30988	13.9
423.36166	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3619
Annotation	Cornusalterin D
Peak:m/z	Relative Intensity
55.05517	2.4
57.07082	1.6
63.04976	1.2
64.94501	1.3
67.05511	8.9
69.07082	11.6
71.08605	1.4
79.01912	1.4
79.05502	1.7
80.93580	1.2
81.07071	17.9
83.08622	5.1
91.05476	2.1
93.07043	8.8
95.08607	32.1
97.10165	2.3
105.07054	9.6
107.08594	19.3
109.10158	32.3
117.07031	2.3
119.08578	18.5
121.10139	19.0
123.11697	12.0
125.09614	1.7
131.08566	3.3
133.10141	12.7
133.92853	1.4
135.11703	13.5
137.13274	2.0
142.07748	1.3
145.10110	10.9
147.11684	15.9
149.13235	13.1
157.10155	3.4
159.11697	14.2
161.13240	17.9
163.14842	9.8
163.16028	1.5
171.11725	6.5
173.13223	9.4
175.14799	11.6
177.16350	3.1
179.14383	2.3
185.13219	2.6
187.14876	10.8
188.15276	1.6
189.16396	7.7
199.14864	3.1
201.16412	6.4
213.16327	2.2
215.17955	5.6
217.19490	2.9
225.16440	2.2
227.17993	5.9
229.19527	9.0
239.17958	3.1
241.19528	2.8
243.21201	2.4
245.18939	2.8
257.18979	2.9
257.22528	2.5
267.21063	2.5
269.22662	5.3
281.22501	2.2
283.24222	2.1
327.27435	1.5
389.68143	1.6
405.35205	20.6
423.36172	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3622
Annotation	Cornusalterin D
Peak:m/z	Relative Intensity
53.05988	1.3
55.05517	3.0
57.05876	1.1
61.30750	1.2
63.68779	1.1
64.10936	1.5
67.05504	14.7
69.07078	11.9
69.97276	1.2
79.05506	6.7
81.07071	19.5
83.08634	5.5
91.05458	1.4
93.07041	11.6
95.08604	43.0
97.10197	3.1
105.07055	11.5
107.08600	22.1
109.10163	31.0
111.08094	7.1
119.08592	14.0
121.10140	24.6
123.11720	11.1
131.08585	5.8
133.10135	15.7
135.11705	17.3
137.13264	2.9
145.10161	9.2
147.11684	18.6
149.13277	11.8
157.10201	1.7
159.11662	11.1
161.13268	12.1
163.14862	9.8
171.11662	2.4
173.13268	7.0
175.14830	7.8
177.13008	1.9
177.16429	7.0
185.13283	2.5
187.14861	9.1
189.16429	8.3
191.17982	2.5
199.14850	2.3
199.85907	1.6
201.16389	15.2
203.17975	15.9
213.16484	1.8
215.18011	7.1
217.16010	1.9
217.19519	7.2
219.17603	2.7
227.17944	3.1
229.19547	8.2
241.19542	2.4
243.21149	7.1
255.21060	3.5
257.22665	3.1
269.22665	5.7
280.86200	1.4
287.24524	1.4
287.27835	6.5
331.30380	7.0
331.56149	1.7
365.32050	1.9
405.34903	3.4
423.21460	26.9
423.27255	10.2
423.36078	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	423.3621
Annotation	Cornusalterin D
Peak:m/z	Relative Intensity
51.28458	1.6
55.05522	3.0
57.07082	2.3
63.96280	1.4
65.02830	1.4
67.05515	18.6
69.07064	17.2
70.03282	1.5
71.45522	1.3
79.05505	2.9
80.67602	1.6
81.07058	24.5
83.08625	7.8
84.57411	1.4
91.05478	2.0
92.21466	2.2
93.07053	16.0
94.64010	1.6
95.08610	33.4
97.10187	2.8
105.07040	11.7
107.08604	27.1
109.10159	60.6
111.11673	1.8
119.08575	19.1
121.10145	28.2
123.08049	1.5
123.11704	15.3
125.09614	1.8
131.08592	7.1
133.10100	16.3
135.11655	13.0
137.13269	3.7
143.08597	2.0
145.10101	13.7
147.11671	14.4
149.13231	12.6
157.10143	6.7
159.11710	18.0
161.13261	19.4
163.14882	6.0
171.11723	7.3
173.13284	11.8
175.14813	12.1
177.16434	2.9
183.11688	1.9
185.13232	3.8
187.14865	10.0
189.16412	9.5
191.18007	3.1
197.13339	2.4
199.14885	3.7
201.16331	13.3
203.17924	7.4
211.14822	2.6
213.16472	6.4
215.17967	7.7
217.19612	1.9
219.17488	1.8
225.16489	2.2
227.18025	3.6
229.19490	6.8
241.19487	6.7
243.20966	2.1
253.19658	2.0
255.21162	3.0
257.22705	2.1
267.21133	3.8
269.22482	1.9
281.22772	2.2
283.24316	1.6
295.24460	2.0
327.27020	1.8
353.90375	1.9
403.82437	1.6
405.34921	20.1
423.23651	29.7
423.36249	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3621
Annotation	Cornusalterin D
Peak:m/z	Relative Intensity
55.05519	2.1
55.06385	0.7
57.07087	1.4
61.37211	0.9
67.05495	7.1
69.07079	11.5
69.53639	0.7
77.92107	0.7
79.05505	1.8
81.07063	17.0
83.08616	6.5
83.50719	0.8
87.31081	0.8
91.05445	1.9
93.07044	9.9
95.08607	28.6
97.10176	1.6
105.07030	8.8
107.08596	17.9
109.10156	35.2
111.08083	0.9
111.11686	1.0
119.08574	15.6
121.10157	15.2
123.11703	11.7
125.09631	1.8
131.08575	5.3
133.10121	12.9
135.11694	13.8
137.13257	4.3
143.08586	1.1
145.10120	8.8
147.11697	13.3
149.13246	8.4
151.14844	0.9
157.10120	4.8
159.11679	11.3
161.13243	14.3
163.11107	1.0
163.14816	8.8
165.12752	1.0
171.11682	6.0
173.13258	11.6
175.14789	9.4
177.16393	4.1
179.34062	1.0
183.11581	1.1
185.13261	3.6
187.14838	12.7
189.16389	4.7
191.17920	1.7
197.13309	1.0
199.14876	4.8
199.61284	0.9
201.16359	7.9
203.17987	5.0
205.19540	0.9
213.16313	5.1
215.18008	5.9
217.19466	4.2
225.16386	1.6
227.17892	4.3
229.19478	4.1
231.20930	1.8
239.17989	1.1
241.19312	1.3
243.21089	3.7
253.19658	1.3
255.21057	1.7
257.22595	2.0
267.21033	4.4
269.22568	2.0
271.20499	1.5
281.22604	1.5
283.24292	1.7
295.24078	1.7
302.17493	1.1
343.43109	1.0
349.29123	1.6
363.30341	1.2
365.31937	1.5
405.35049	19.2
405.39935	1.5
407.16937	1.0
423.23697	15.7
423.36160	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28307	1.6
52.76402	1.2
53.29609	1.3
54.24329	1.3
57.03458	1.3
57.32528	1.3
59.62318	1.4
60.20688	1.3
63.94733	1.7
69.03443	18.1
71.04989	2.6
81.03432	14.4
81.23619	1.8
85.02905	61.1
91.03967	1.7
97.02893	25.8
99.04455	29.1
103.03942	95.0
108.10470	1.5
109.02893	10.7
118.34267	1.6
127.03910	100.0
127.04843	4.1
145.04959	48.4
154.97473	1.6
163.05998	44.4
271.08133	2.6
289.09207	11.0
307.10196	20.7
349.01031	1.8
423.75943	2.2
424.25928	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	424.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51445	0.8
51.22714	0.8
53.03938	1.0
55.05523	1.6
57.03435	1.3
61.02943	1.2
69.03430	7.8
71.04985	1.1
73.02913	2.3
74.26609	1.1
81.03412	5.4
83.08629	1.9
84.99368	0.8
85.02908	66.0
95.06729	1.0
97.02900	17.1
99.04465	22.7
103.03951	92.7
109.02882	16.0
127.03911	100.0
145.04961	47.7
163.06012	41.8
187.06049	1.8
269.13895	1.7
271.08041	6.9
289.09210	9.1
307.10229	22.7
308.01117	1.1
346.42099	1.0
389.17978	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	424.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	0.3
57.07082	4.5
61.18939	0.3
67.05507	0.5
69.07100	0.4
78.06010	0.4
80.83609	0.3
81.07047	0.4
86.09711	17.5
93.07012	0.6
95.08575	0.8
97.06544	0.4
105.07037	2.0
107.08553	0.5
119.08608	2.7
121.06535	0.5
121.10143	5.8
131.08562	0.5
131.46599	0.4
133.06483	0.5
133.10080	3.2
147.08072	0.4
147.11684	6.8
151.11194	0.5
163.11215	0.5
165.65720	0.4
175.11183	10.6
211.57980	0.4
217.53076	0.4
232.35080	0.4
283.16919	100.0
292.06342	0.5
339.23187	37.3
424.32034	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	424.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91299	0.2
57.07095	2.9
57.64920	0.3
59.46078	0.3
62.86889	0.3
67.95158	0.3
86.09708	17.1
100.66674	0.4
110.24474	0.4
113.88783	0.3
119.08582	1.3
120.11343	0.4
120.57642	0.3
120.86033	0.3
121.06510	0.5
121.10133	5.7
121.45873	0.3
133.06509	0.5
133.10115	3.1
147.11694	6.7
151.11258	0.8
157.10052	0.4
175.11176	10.8
177.12703	0.4
265.15561	0.3
283.16928	100.0
339.23175	37.4
348.81091	0.3
424.32098	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	424.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56673	0.3
57.07087	4.0
59.46975	0.3
67.92226	0.4
86.09237	0.7
86.09713	16.1
86.87164	0.5
97.06512	0.5
105.07055	0.6
119.08569	2.2
121.10127	5.7
127.26105	0.3
133.10091	2.9
147.11667	7.0
175.11191	10.6
283.16916	100.0
300.45380	0.4
339.23175	37.6
412.23572	0.5
413.26785	0.5
424.32108	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	425.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	2.7
60.04544	2.0
64.22731	2.0
67.81486	2.0
70.06599	33.7
70.59090	2.1
72.08142	10.8
74.52263	2.1
83.08628	20.0
84.08141	5.2
86.09691	13.2
91.05495	4.2
110.07182	3.1
111.08073	14.3
116.07097	3.4
129.10242	5.2
136.07625	2.8
137.82022	2.3
142.37628	2.6
147.04427	3.3
157.08533	4.4
159.09090	2.7
175.09669	13.5
177.05458	5.4
213.12663	22.0
231.12216	26.6
251.78374	2.4
287.10059	4.9
315.09869	3.2
347.12256	5.6
375.11462	2.7
407.14633	14.5
425.08307	33.9
425.14099	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73183	1.0
60.83976	1.1
62.58699	1.0
62.85833	0.9
69.37226	0.9
88.83405	1.1
94.93015	8.6
101.00914	1.8
112.89594	8.2
119.01912	7.6
137.03053	1.3
138.05528	2.1
143.01888	24.2
145.03481	4.9
149.21887	1.2
153.31392	1.0
155.00819	1.3
155.01866	9.8
157.03510	4.8
161.02956	59.4
167.01874	9.0
169.03511	2.2
171.04976	1.6
173.02974	25.4
175.04507	2.4
177.08604	1.4
179.01802	1.1
180.40759	1.2
185.01257	1.5
185.02945	45.6
187.04573	5.7
191.03986	4.5
197.02956	15.3
201.59518	1.3
203.04047	17.9
209.03015	1.3
215.04001	11.0
221.05064	1.7
227.03964	12.6
245.05070	100.0
248.89626	2.6
252.99913	6.1
257.05093	2.5
263.06104	21.2
275.05978	8.7
276.92630	1.2
293.07224	2.2
305.07092	13.4
335.08154	5.1
365.09332	15.6
425.11453	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	425.136
Annotation	HoPhe-His-OH
Peak:m/z	Relative Intensity
58.88828	0.5
64.09933	0.5
72.17459	0.6
97.19822	0.5
101.25443	0.6
120.11433	0.5
170.69272	0.5
176.03307	0.6
222.61162	0.6
232.30688	0.6
240.16693	0.6
418.41479	0.6
425.13596	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
60.83041	0.5
69.03427	0.9
70.06588	2.2
72.08160	0.7
81.07072	0.5
83.04945	0.5
83.08611	2.8
85.02896	0.6
91.05507	0.9
95.04929	0.8
111.08070	2.0
123.08071	2.9
125.05978	0.8
127.03899	0.8
159.08018	0.6
164.57889	0.5
165.09103	6.2
175.09698	0.8
205.08566	0.6
213.11092	0.7
231.12183	3.6
245.11626	0.8
263.12799	3.2
304.06622	0.5
347.12286	1.0
376.97336	0.6
407.14407	1.2
425.14124	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
60.55171	0.6
69.03390	0.8
69.66287	0.7
70.06610	1.0
71.04405	0.6
98.97565	0.8
100.89469	0.7
113.16716	0.8
136.07634	1.4
142.18532	0.7
151.14828	0.7
263.27872	0.7
281.39774	0.9
425.15701	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	425.178
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68435	0.7
59.08700	0.9
64.18687	0.8
81.07053	1.5
93.97325	1.0
147.48544	0.9
187.00945	1.1
203.05232	1.9
243.04832	1.7
287.03754	26.2
289.05258	21.1
315.92847	1.0
381.18869	1.0
425.17807	100.0
425.41092	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	425.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14906	1.9
53.57721	2.4
56.96572	8.5
57.07078	13.8
57.92419	2.4
67.05502	2.8
67.37326	2.1
69.07054	3.7
71.08626	9.8
79.61033	2.1
80.69198	2.0
81.07070	4.3
83.08618	2.8
85.10217	4.3
93.07034	4.7
94.08784	2.1
95.08602	3.9
98.60642	2.6
98.71215	2.6
98.97585	39.1
103.06473	2.2
109.10143	5.2
110.47401	2.2
113.00024	40.4
115.91586	2.3
116.98614	26.5
119.08616	3.2
123.21425	2.3
134.99620	10.4
136.39322	2.4
147.75589	2.2
160.27588	2.7
169.02621	50.6
171.03227	2.5
188.88434	2.5
190.00288	2.4
227.09550	3.5
229.07452	8.6
243.09006	2.8
251.09511	17.5
255.04729	2.5
255.09033	3.2
261.10147	9.8
265.11200	13.6
267.09067	5.5
269.10519	45.6
283.12186	69.1
285.10034	29.8
287.11713	11.2
299.11526	3.3
301.13071	4.0
303.11191	11.7
311.11649	4.8
313.27545	20.0
325.13235	15.1
333.17621	3.7
351.18188	3.8
365.20251	4.5
378.41837	2.5
407.25623	5.7
425.22055	100.0
425.72781	2.7
443.23181	3.0
447.99747	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	425.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14906	1.9
53.57721	2.4
56.96572	8.5
57.07078	13.8
57.92419	2.4
67.05502	2.8
67.37326	2.1
69.07054	3.7
71.08626	9.8
79.61033	2.1
80.69198	2.0
81.07070	4.3
83.08618	2.8
85.10217	4.3
93.07034	4.7
94.08784	2.1
95.08602	3.9
98.60642	2.6
98.71215	2.6
98.97585	39.1
103.06473	2.2
109.10143	5.2
110.47401	2.2
113.00024	40.4
115.91586	2.3
116.98614	26.5
119.08616	3.2
123.21425	2.3
134.99620	10.4
136.39322	2.4
147.75589	2.2
160.27588	2.7
169.02621	50.6
171.03227	2.5
188.88434	2.5
190.00288	2.4
227.09550	3.5
229.07452	8.6
243.09006	2.8
251.09511	17.5
255.04729	2.5
255.09033	3.2
261.10147	9.8
265.11200	13.6
267.09067	5.5
269.10519	45.6
283.12186	69.1
285.10034	29.8
287.11713	11.2
299.11526	3.3
301.13071	4.0
303.11191	11.7
311.11649	4.8
313.27545	20.0
325.13235	15.1
333.17621	3.7
351.18188	3.8
365.20251	4.5
378.41837	2.5
407.25623	5.7
425.22055	100.0
425.72781	2.7
443.23181	3.0
447.99747	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	425.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96577	7.5
62.43822	1.1
66.66609	1.1
67.05520	2.1
81.07032	1.5
95.08623	2.0
98.97588	2.4
109.10149	1.6
120.82281	1.3
121.10188	1.4
127.00627	15.4
133.01784	1.4
145.01726	84.4
147.80225	1.4
151.73140	1.2
163.02777	100.0
168.03308	2.0
181.03856	16.1
186.04428	2.3
199.66245	1.6
231.27579	1.3
281.14352	5.3
313.77747	1.3
333.17331	9.3
351.18527	5.0
353.19064	2.2
365.19998	27.2
383.20981	1.7
410.66876	1.3
425.22232	80.4
425.37488	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	425.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74211	1.3
59.80369	1.5
60.17690	1.5
60.31197	1.3
76.88794	1.5
81.07014	2.0
95.08571	1.9
104.29230	1.5
107.08569	2.1
153.61516	1.6
247.58215	1.9
365.34064	1.5
379.62009	1.6
407.32919	2.1
425.22940	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
70.85474	1.1
80.35914	1.0
95.08612	1.3
105.07015	2.2
107.08575	1.9
109.10151	1.6
113.43394	1.2
119.08632	1.2
126.42694	1.2
141.43526	1.0
172.75093	1.2
269.09753	1.3
283.11072	2.9
335.17801	4.6
353.19299	9.1
425.22891	100.0
425.31326	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	425.2378
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
50.98079	1.7
51.97981	1.4
55.01870	1.9
57.03453	17.0
59.04992	3.0
61.02933	3.7
63.72696	1.5
69.03438	70.5
73.52408	1.4
81.03427	4.0
85.02912	100.0
87.04476	58.3
92.02863	1.7
92.21082	2.2
93.81351	2.0
97.02896	67.6
97.03485	3.4
99.04453	3.1
103.03970	1.8
109.02882	4.2
114.09153	12.7
115.03937	65.4
127.03917	21.7
133.04959	62.8
145.04958	25.4
163.06039	10.4
169.05029	2.5
178.06284	1.9
188.19489	1.8
219.19330	2.1
259.08078	1.9
295.10199	4.2
425.25467	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	425.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91304	1.6
60.31111	1.5
60.93726	1.5
77.41962	1.7
80.02737	1.4
95.08577	2.4
96.01883	14.6
97.02702	8.1
107.08601	2.1
109.10201	2.8
147.30907	1.9
156.03891	3.7
169.04730	10.1
173.63013	1.7
185.32527	1.7
239.31215	1.7
269.13733	11.1
281.13605	2.5
295.15131	6.4
313.16470	2.2
337.16174	27.3
337.27380	1.9
425.25110	100.0
425.34460	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	425.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07106	3.1
52.32910	2.7
56.33765	3.1
57.03469	2.9
60.33990	2.7
66.64741	2.8
67.05491	3.7
69.07069	8.4
75.43623	3.7
79.05508	4.9
81.07038	14.1
83.08611	5.5
83.09118	3.2
93.07016	4.9
95.08612	15.6
96.01877	5.6
97.02636	22.5
105.63928	3.5
109.10151	5.2
113.02139	6.3
117.88152	3.4
119.08562	3.8
121.10151	3.9
133.08568	4.0
133.10149	5.3
135.11691	6.6
145.10124	3.5
149.13257	3.5
156.03923	16.0
169.04692	21.7
173.13203	3.7
196.17026	3.9
198.15015	6.1
201.16273	3.8
211.09381	3.4
212.16316	4.0
287.40140	3.7
295.15192	17.8
337.16281	14.2
373.27017	5.3
390.30029	5.5
425.25095	100.0
425.33481	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	425.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07106	3.1
52.32910	2.7
56.33765	3.1
57.03469	2.9
60.33990	2.7
66.64741	2.8
67.05491	3.7
69.07069	8.4
75.43623	3.7
79.05508	4.9
81.07038	14.1
83.08611	5.5
83.09118	3.2
93.07016	4.9
95.08612	15.6
96.01877	5.6
97.02636	22.5
105.63928	3.5
109.10151	5.2
113.02139	6.3
117.88152	3.4
119.08562	3.8
121.10151	3.9
133.08568	4.0
133.10149	5.3
135.11691	6.6
145.10124	3.5
149.13257	3.5
156.03923	16.0
169.04692	21.7
173.13203	3.7
196.17026	3.9
198.15015	6.1
201.16273	3.8
211.09381	3.4
212.16316	4.0
287.40140	3.7
295.15192	17.8
337.16281	14.2
373.27017	5.3
390.30029	5.5
425.25095	100.0
425.33481	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	425.2509
Annotation	Arg Ile His
Peak:m/z	Relative Intensity
56.14368	0.4
74.82291	0.5
76.36680	0.5
80.99628	0.5
89.63497	0.5
92.20787	0.5
93.07044	0.6
95.08642	0.9
107.08596	0.8
109.05528	0.5
109.10140	0.8
110.23646	0.5
127.03966	0.7
145.02856	2.1
177.05493	3.1
227.91422	0.5
237.46274	0.6
301.06927	0.9
375.03915	0.9
405.08478	0.9
425.25092	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2506
Annotation	Arg Ile His
Peak:m/z	Relative Intensity
54.05143	0.4
59.06930	0.4
63.05564	0.5
65.27322	0.4
68.92844	0.4
69.03429	0.5
70.59657	0.4
74.27060	0.5
95.08584	0.5
119.08600	0.5
126.09149	0.4
145.13062	0.4
171.11703	0.5
220.07582	0.5
225.84695	0.5
278.08115	0.8
380.32236	0.5
425.25064	100.0
425.34348	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	425.2513
Annotation	Arg Ile His
Peak:m/z	Relative Intensity
54.68884	0.5
65.50956	0.5
67.05483	0.5
72.44512	0.5
76.60213	0.5
84.20115	0.5
99.77039	0.5
107.08657	0.9
114.09135	0.9
189.16368	0.6
268.57639	0.6
282.87628	0.6
425.25064	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2662
Annotation	CHEBI:74840
Peak:m/z	Relative Intensity
51.07272	0.8
55.05526	1.0
57.03444	8.0
57.07087	24.3
67.05508	9.2
69.07059	4.5
71.08636	18.8
73.11766	1.0
81.07079	8.9
83.08601	7.3
85.10181	17.0
86.09713	1.4
95.08616	12.2
97.10180	1.4
98.97605	1.2
104.10771	1.3
109.10153	7.0
113.00022	86.6
116.98576	1.3
123.11704	1.1
131.01042	1.4
160.87143	1.0
169.02612	100.0
187.03693	2.1
212.61588	1.2
226.61473	0.9
283.16895	1.7
284.17233	5.0
313.27390	48.5
323.38773	1.2
340.23541	1.5
365.81763	1.0
407.21017	1.9
407.25583	15.2
425.22098	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	425.2659
Annotation	CHEBI:74840
Peak:m/z	Relative Intensity
55.05510	1.5
57.03439	7.1
57.07083	25.5
64.80331	0.9
65.18994	0.8
66.58903	0.8
67.05506	1.8
68.44518	0.7
68.76143	0.7
69.07069	3.4
69.61344	0.7
71.08635	22.6
81.07068	8.0
83.08621	4.7
83.18530	0.9
85.10179	13.7
86.09698	6.8
87.10056	1.2
88.86658	0.8
92.20895	0.9
95.08623	12.2
97.10158	3.8
109.10151	6.5
113.00017	77.2
121.10128	1.3
123.11761	1.0
133.10152	1.1
147.11703	1.6
149.03275	0.9
169.02605	100.0
175.11211	1.8
176.11496	1.0
187.03641	1.4
205.89755	0.9
212.53772	0.8
239.23708	1.5
283.16937	16.7
284.17239	27.0
313.27371	37.3
331.68173	0.9
339.23108	3.6
340.23441	11.5
392.28845	0.9
407.25562	14.9
425.32071	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	425.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	5.6
55.05516	28.4
56.10353	5.9
57.07077	7.1
67.05514	88.3
69.03429	34.6
69.07076	37.8
71.04997	6.9
71.08631	8.0
71.96628	5.8
72.76539	4.8
78.96259	5.4
79.05492	39.7
81.03436	44.4
81.07070	98.1
83.05019	7.5
83.08622	28.7
91.05486	13.6
93.07063	55.0
95.04971	10.2
95.08612	100.0
97.06525	9.3
97.10157	9.8
99.08108	7.5
105.07018	31.2
107.08598	47.2
109.10158	37.5
111.04476	9.7
117.07024	24.3
119.08585	31.1
121.06461	7.8
121.10142	45.1
123.11725	9.0
131.08597	33.6
133.10150	27.9
135.11719	24.7
145.10078	13.6
147.11713	9.1
149.13283	11.3
159.11736	9.6
161.13249	8.2
173.13185	7.0
175.14938	12.7
185.13139	6.5
207.13942	6.2
263.23651	7.4
283.16971	37.7
293.24927	7.5
314.51660	6.1
325.19620	6.1
339.23120	10.4
343.26291	11.2
353.18961	10.7
353.24734	8.1
371.25824	30.9
389.26968	44.6
407.27869	70.8
425.29291	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	425.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49419	2.0
55.05516	4.7
56.28204	1.8
58.47124	1.8
67.05509	28.9
69.07070	14.4
79.05492	11.1
81.07067	39.1
83.08186	2.2
83.08625	18.6
91.05466	12.5
93.07037	15.2
95.08614	39.2
97.06552	3.9
97.10173	8.8
105.07027	12.6
107.04935	2.3
107.08598	27.4
109.10169	18.9
116.12780	2.0
117.06988	7.8
119.08575	19.8
119.82180	2.1
121.06482	2.7
121.10155	33.7
123.11695	10.3
125.09673	2.9
131.08568	12.7
133.10155	25.6
135.08014	2.7
135.11662	22.2
135.40446	2.3
137.09683	2.2
143.08597	3.7
145.10162	16.4
147.11688	19.9
149.09624	5.1
149.13232	10.2
151.11263	3.0
154.12247	3.1
157.10065	2.8
159.11685	4.8
161.13249	22.9
163.14838	3.7
171.11742	3.6
173.13255	11.0
175.14838	11.6
182.15393	9.2
187.14810	9.3
189.16431	4.7
196.16982	33.0
213.19646	5.3
222.63678	2.7
247.20604	2.9
309.25842	3.1
317.28281	5.0
327.26672	22.2
344.29492	17.0
345.27896	61.1
361.32037	14.4
362.30521	29.8
379.33188	84.7
389.31573	15.0
390.29895	4.5
393.44925	2.5
407.32721	100.0
408.30853	12.7
425.13797	4.0
425.23102	16.4
425.33594	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	425.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12197	2.2
55.05523	4.2
57.99350	2.1
67.05513	31.6
69.07060	15.9
79.05496	5.1
81.07059	40.8
83.08619	14.7
91.05470	20.7
93.07043	29.2
95.08609	44.3
97.06538	4.0
97.10192	6.0
105.07034	18.9
107.08565	20.5
109.10147	31.6
112.50015	2.4
117.06995	4.5
119.08566	23.2
121.10115	35.3
123.11687	10.5
131.08575	19.1
133.10115	27.6
135.08096	3.1
135.11678	25.3
143.73665	3.5
145.10165	25.2
147.11670	25.5
149.13255	5.5
151.11131	3.2
159.11661	13.3
161.13226	25.9
163.11221	3.3
171.11618	3.2
173.13242	6.2
175.14801	6.6
182.15335	4.5
182.28954	3.2
185.13109	4.5
189.16335	3.9
195.50609	2.8
196.16966	5.3
249.18671	3.6
252.08180	2.7
317.28265	6.0
327.26773	19.8
344.29437	17.3
345.27927	78.3
361.32224	24.8
362.30518	35.0
379.33179	95.1
389.31638	24.8
390.30029	13.1
407.32700	100.0
408.30893	3.6
425.33646	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	425.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44483	0.6
55.05510	0.9
56.05043	9.0
57.03416	0.9
57.07082	1.0
67.05505	5.2
69.07082	6.6
70.06618	0.8
79.05505	1.1
81.07049	4.0
83.08611	3.3
84.08139	1.3
91.05476	1.1
93.07040	4.5
95.08604	11.3
97.10155	1.7
98.09689	1.2
107.08603	5.0
109.10159	15.4
111.08125	1.6
111.11734	1.7
119.08560	4.0
121.10134	3.3
123.11695	1.0
135.11702	4.4
137.09604	2.2
141.32228	1.0
149.13263	3.8
153.13823	2.0
154.12267	100.0
166.15904	1.8
167.79247	0.9
171.14908	41.3
177.05537	1.1
178.15967	1.4
189.83887	0.8
195.18559	5.3
196.16968	88.0
198.62288	1.1
210.18475	11.3
212.16278	1.1
213.19600	16.6
227.21350	1.1
252.23196	1.2
254.21085	1.1
261.67831	0.9
389.31747	7.2
390.30072	4.7
407.32614	20.4
408.31036	4.1
425.14743	10.0
425.24203	5.3
425.33670	38.7
429.89145	1.1
435.38193	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	425.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52676	0.3
55.05510	1.2
56.05037	2.3
57.03436	0.4
59.26262	0.3
65.90525	0.3
67.05517	2.9
69.07065	2.8
70.06578	0.4
79.05489	0.8
81.07058	6.3
83.08614	2.9
84.08144	1.5
91.05495	0.8
93.07044	2.5
95.08597	6.3
96.08109	0.3
97.06535	1.9
97.10151	0.6
98.09676	0.5
99.08086	0.3
105.07043	0.6
107.08598	1.8
109.10164	3.0
110.31990	0.3
111.08086	0.5
111.66073	0.4
112.11170	0.4
119.08561	2.3
121.10147	2.0
123.11647	0.4
125.09515	0.4
133.10121	1.3
135.11696	1.6
147.11697	0.4
149.13269	5.0
153.12750	0.4
159.11748	0.4
161.13206	2.2
165.09042	0.4
166.15923	2.1
167.14366	0.6
168.17499	0.4
175.14801	0.5
177.05476	0.7
178.15887	2.6
179.14320	0.5
195.18533	5.7
196.16963	100.0
198.14873	0.8
209.20016	0.8
210.18530	23.9
212.16414	3.5
213.19608	16.7
214.18063	0.6
227.21066	3.1
230.17393	0.5
238.21643	0.4
372.29031	0.5
389.31723	3.2
390.29993	2.3
407.32678	8.4
408.30914	4.1
425.15695	0.7
425.25360	2.8
425.33649	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	425.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55397	2.2
55.05516	11.6
57.07062	3.5
58.33836	2.2
67.05504	16.5
69.07082	20.5
70.11691	2.4
73.88470	2.1
79.05482	5.3
81.07059	32.3
83.08618	14.1
91.05469	2.7
92.18990	2.9
93.07029	18.7
95.08607	40.3
105.07031	16.2
107.08593	30.1
109.10161	77.4
117.07068	3.3
119.08559	21.1
121.10156	37.9
123.08056	3.9
123.11703	17.0
128.89943	2.4
131.08549	14.6
133.10126	22.3
135.11710	15.5
137.09622	2.9
143.08548	11.3
145.10054	18.4
147.11710	13.4
149.13235	10.0
157.10143	17.4
159.11749	23.1
161.13220	13.8
169.10104	5.2
171.11658	18.1
173.13217	17.8
175.14784	4.1
177.16400	17.8
183.11673	4.5
185.13260	12.8
187.14885	5.0
189.16293	3.3
197.13260	5.2
199.14810	11.7
211.14806	12.1
213.16342	4.1
223.14798	3.8
225.16396	10.5
227.17854	4.9
229.19510	4.0
237.16512	3.1
239.18027	4.4
255.21104	3.6
260.30627	2.6
267.21057	21.4
279.21127	4.3
285.22195	10.9
313.07816	2.8
325.25311	3.1
369.27713	3.4
375.71149	2.9
389.32135	3.0
389.38837	2.7
407.32980	44.1
425.22122	13.8
425.28708	8.3
425.34039	100.0
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	Unknow
Peak:m/z	Relative Intensity
50.22602	3.3
55.05513	5.6
55.55837	3.9
67.05512	5.3
69.07070	28.8
70.57652	3.9
71.77977	4.3
76.33026	3.8
79.56996	4.7
81.07070	58.5
83.08636	6.2
93.07055	25.1
95.08613	52.6
101.90977	4.3
104.70055	4.2
105.07045	21.8
107.08597	47.6
109.10178	57.6
119.08610	25.8
121.10153	44.7
123.11716	24.3
127.11198	18.2
133.10129	18.9
135.11705	38.0
137.13283	10.3
140.52721	4.1
147.11682	10.5
149.13287	20.5
159.11723	8.5
161.13275	22.7
163.14883	6.7
173.13272	9.0
175.14790	17.0
177.16402	18.7
187.14870	19.9
189.16367	8.1
203.17976	8.1
229.19638	17.2
283.24307	4.6
299.27023	5.8
301.25223	6.1
407.36868	7.2
425.37796	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	6.5
61.95050	2.7
65.72265	2.4
66.04762	3.0
67.05497	12.5
67.61385	2.7
69.07072	14.1
79.05482	5.5
81.07063	41.3
83.08630	13.7
91.05486	4.1
93.07050	19.0
95.08620	65.5
97.10154	5.6
105.07038	6.8
107.08601	42.3
109.10154	52.9
119.08610	22.4
121.10147	49.7
123.11718	29.2
131.08566	4.1
133.10146	20.5
135.11659	37.7
137.13278	27.4
145.10141	4.0
147.11711	23.2
149.13268	20.4
159.11646	14.5
161.13222	20.0
163.14815	7.3
173.13307	4.9
175.14815	14.6
177.16360	13.3
187.14914	4.3
189.16408	13.2
191.17955	14.6
201.16440	12.9
203.18002	24.0
205.19525	15.6
215.17938	13.8
217.19455	15.9
229.19516	15.4
233.18956	3.6
243.21011	3.5
247.20618	4.3
255.20999	3.2
257.22827	4.0
269.22629	4.2
325.16211	4.5
395.06586	3.0
407.36646	16.8
425.16476	5.7
425.24643	100.0
425.37869	93.2
447.13431	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	426.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42207	1.0
50.42447	1.0
58.06598	1.4
69.03438	1.9
69.07093	1.4
70.06583	7.1
72.08162	2.7
73.02685	1.0
74.06078	1.6
75.72212	1.2
84.04505	2.3
84.08144	2.8
85.02905	1.6
86.09701	5.7
91.78058	1.2
97.02924	1.6
103.04104	1.3
110.07176	1.5
116.07083	1.6
120.08101	1.4
122.02736	2.9
122.06026	32.4
124.07589	45.0
127.03917	1.4
128.14990	1.5
131.01573	1.4
132.04472	2.1
132.08144	2.1
136.07574	93.0
138.09146	30.1
147.04340	1.5
150.05508	41.5
152.07039	24.2
160.07571	28.0
164.07059	97.4
168.06569	1.7
177.05383	1.3
178.08611	29.7
182.08092	18.4
194.62888	1.3
245.09448	2.1
281.03021	1.6
287.13919	24.4
305.14911	32.9
363.13342	1.5
380.15918	1.8
413.69141	1.5
426.16943	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	426.169
Annotation	Unknow
Peak:m/z	Relative Intensity
62.62965	0.8
65.50700	0.8
69.07119	0.9
70.06598	8.0
72.08166	4.1
83.88481	0.8
84.08134	5.1
86.09694	4.4
99.10091	1.0
110.07144	1.3
116.06995	1.3
120.08120	1.8
122.02723	2.3
122.06025	34.1
124.07585	25.8
129.10275	1.0
136.07578	100.0
138.08136	1.7
138.09146	29.5
150.05499	42.2
152.07069	29.6
154.08688	1.1
160.07555	2.2
164.07050	76.0
168.06564	6.3
170.08076	1.0
178.08707	1.6
182.08145	8.7
203.51782	0.9
227.08078	1.1
227.11749	1.7
229.10323	1.0
245.09537	4.0
287.13925	29.0
305.14920	57.1
411.65561	1.2
426.16885	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	426.197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75928	0.7
55.25593	0.9
57.03437	1.8
57.63232	0.9
61.02930	4.6
73.02920	35.6
73.56448	1.0
85.02898	5.7
86.09711	21.1
88.03986	5.7
97.02901	11.7
98.09708	1.2
99.37962	0.9
112.03951	1.7
115.03908	3.7
127.03899	4.3
128.10722	1.3
132.10210	12.8
133.65089	0.9
143.05769	7.7
144.10178	4.2
155.69638	0.9
161.06799	2.1
164.10680	4.7
182.11842	1.2
194.11691	0.9
202.07065	0.9
210.11264	10.4
212.12830	20.0
230.13861	49.1
248.15007	4.7
258.13348	100.0
276.14386	56.6
286.53513	0.9
294.15475	1.4
305.64725	0.9
337.34537	0.8
390.17590	20.8
408.18692	35.0
426.19800	12.6
428.88483	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	426.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07278	2.2
52.57735	2.3
56.60619	2.9
57.68844	2.4
61.02924	3.4
64.78191	2.4
69.03439	24.4
69.07080	2.6
70.06604	2.6
71.04991	3.8
72.65849	2.9
81.03426	5.6
82.28419	3.3
85.02917	78.0
97.02877	29.6
99.04447	25.8
103.03944	82.9
109.02895	12.4
119.08601	3.8
127.03921	100.0
145.02888	3.6
145.04956	55.7
150.58643	3.0
163.06026	55.2
173.57890	4.4
177.05400	10.4
178.91348	3.4
238.99829	3.5
269.91190	3.5
271.07977	3.6
289.09253	5.9
307.10233	17.4
339.57962	3.4
426.21539	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	426.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.3
57.03434	2.0
58.31686	0.8
62.43795	0.7
65.13398	0.7
67.05497	0.9
69.03441	9.7
69.07075	1.5
73.02913	2.2
81.03401	1.2
81.07061	8.2
83.08644	1.0
85.02431	1.4
85.02912	24.4
87.04475	6.9
91.04006	1.0
91.05476	3.9
92.21081	3.4
92.92865	0.8
93.38195	0.9
97.02890	18.7
99.04449	3.4
99.08118	1.5
103.03947	4.9
104.04292	1.4
105.07033	3.6
107.08586	1.2
109.02879	1.6
109.06503	1.0
109.10056	1.1
113.05999	1.1
115.03927	16.2
119.08593	3.8
121.10167	3.5
123.11704	7.2
127.03912	8.4
128.04236	1.1
133.05000	12.1
133.10088	1.3
143.10602	1.0
145.04965	10.3
147.10576	2.0
147.11685	37.4
149.09654	1.6
150.07605	1.1
157.10149	6.3
163.06033	7.2
165.12749	20.1
175.11197	11.0
175.92366	1.0
193.12241	8.1
196.02515	1.2
211.13324	4.0
226.87059	1.0
229.14345	100.0
247.15367	21.9
259.08282	1.6
277.16473	5.7
295.10190	1.5
328.84140	1.0
406.01892	1.0
426.15594	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	426.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.3
57.03434	2.0
58.31686	0.8
62.43795	0.7
65.13398	0.7
67.05497	0.9
69.03441	9.7
69.07075	1.5
73.02913	2.2
81.03401	1.2
81.07061	8.2
83.08644	1.0
85.02431	1.4
85.02912	24.4
87.04475	6.9
91.04006	1.0
91.05476	3.9
92.21081	3.4
92.92865	0.8
93.38195	0.9
97.02890	18.7
99.04449	3.4
99.08118	1.5
103.03947	4.9
104.04292	1.4
105.07033	3.6
107.08586	1.2
109.02879	1.6
109.06503	1.0
109.10056	1.1
113.05999	1.1
115.03927	16.2
119.08593	3.8
121.10167	3.5
123.11704	7.2
127.03912	8.4
128.04236	1.1
133.05000	12.1
133.10088	1.3
143.10602	1.0
145.04965	10.3
147.10576	2.0
147.11685	37.4
149.09654	1.6
150.07605	1.1
157.10149	6.3
163.06033	7.2
165.12749	20.1
175.11197	11.0
175.92366	1.0
193.12241	8.1
196.02515	1.2
211.13324	4.0
226.87059	1.0
229.14345	100.0
247.15367	21.9
259.08282	1.6
277.16473	5.7
295.10190	1.5
328.84140	1.0
406.01892	1.0
426.15594	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	427.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02781	1.0
54.33670	1.1
54.71782	1.1
55.92851	0.9
56.98121	0.9
57.03453	1.8
60.87873	0.9
62.93559	1.2
69.03439	10.3
69.81403	1.4
70.06594	15.7
71.04990	1.4
71.46979	1.1
72.08150	7.0
73.02917	1.3
84.08147	2.2
86.09707	2.6
99.04457	8.0
110.07186	2.5
116.07099	2.2
117.05418	1.4
117.20402	1.3
119.04933	1.7
125.09655	1.1
127.03923	1.5
133.07639	2.1
136.07640	1.4
145.07619	35.7
147.04405	15.4
147.09232	1.9
163.08662	80.4
167.09174	1.6
185.09299	1.6
188.09422	1.6
189.06592	2.5
189.10318	2.2
201.10124	1.4
205.09735	2.1
207.07648	100.0
213.08781	1.4
213.12379	9.2
225.09924	2.7
249.12331	1.6
261.12170	1.8
267.13470	2.3
279.13370	27.9
297.14459	98.5
305.11353	5.6
322.14124	1.7
323.12421	15.5
333.22836	1.2
338.78271	1.3
341.13437	94.9
348.11938	7.2
365.14645	8.6
366.12949	21.9
392.10748	5.1
409.13205	9.6
410.11902	36.8
427.14337	23.6
427.19427	3.4
427.22656	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	427.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50489	0.2
59.99967	0.2
68.82255	0.2
69.03410	0.3
69.04504	0.2
70.06580	0.3
85.02900	1.0
85.90555	0.2
86.06058	1.3
87.04475	0.3
87.91617	0.2
94.06586	0.5
122.06014	0.9
127.03902	0.3
133.08598	0.5
140.07068	1.3
140.28259	0.3
150.07753	100.0
151.28444	0.3
282.12006	0.8
288.10770	1.5
295.11490	25.6
305.96036	0.2
319.10593	0.2
427.15332	0.4
427.74887	0.2
450.37039	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	427.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
65.72500	0.6
69.03417	0.6
70.06589	3.7
72.08160	13.0
78.68655	0.6
86.09715	17.3
90.74207	0.6
116.07090	9.0
157.46519	0.7
171.14923	11.4
181.54886	0.8
185.04205	1.1
185.16515	2.5
199.14398	7.8
203.05313	3.4
211.14572	0.7
213.16092	1.2
229.15468	5.2
257.33289	0.6
265.10562	5.8
276.22110	0.8
312.22766	6.4
340.68088	0.7
420.80502	0.7
427.15747	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45361	0.9
55.50380	0.8
58.06607	8.9
67.05511	1.4
68.01359	1.1
68.05013	1.9
68.30305	0.8
69.03434	1.8
69.07081	6.5
70.06599	1.8
75.04479	1.5
78.43690	0.8
84.04505	1.2
84.10450	0.8
85.02908	20.3
86.06071	49.3
86.09684	1.3
87.04479	0.8
94.06571	13.9
95.04952	3.6
96.04533	1.0
96.80408	0.9
100.07619	1.8
101.06042	1.5
110.06049	7.8
111.04431	3.9
112.03977	9.6
112.07590	3.5
113.02379	3.3
113.04733	1.5
117.05482	16.6
120.04462	0.9
120.08124	1.3
122.06031	48.1
123.00803	13.4
123.04414	4.2
124.07580	5.9
125.06007	3.7
126.05557	1.1
127.03928	1.3
134.06023	1.2
135.04396	1.5
136.03944	1.8
136.07559	8.3
137.07915	1.2
138.05521	6.9
138.09109	1.9
140.07069	46.3
143.03392	1.7
147.04399	4.0
150.05592	2.1
150.09161	1.3
152.07079	5.2
153.01747	1.0
154.05003	4.9
155.03398	4.1
162.05544	1.3
163.08702	2.0
164.07065	5.8
165.07419	1.9
166.08643	1.8
167.07037	1.6
172.06017	1.9
178.04964	3.7
180.06572	1.8
181.09735	3.7
187.06007	4.2
192.06497	1.4
194.08116	3.6
238.06836	1.0
269.87451	0.9
270.09634	1.5
288.10773	100.0
409.15973	1.8
427.17099	43.9
450.01886	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	427.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.6
58.06607	6.3
67.05504	1.3
68.01400	0.7
68.05032	0.7
68.99776	0.5
69.03435	3.5
69.07074	5.1
70.06584	2.8
72.08152	1.1
75.04474	1.3
79.05502	0.7
82.06625	0.6
83.01345	0.7
83.04986	0.8
84.04523	1.3
84.08137	0.7
85.02907	18.3
86.06071	42.9
86.09724	0.6
87.04446	0.8
94.06571	11.5
95.04971	1.2
96.04518	0.8
97.06535	0.9
98.06038	2.6
100.07607	2.2
101.06000	1.0
106.06504	0.5
110.06044	7.4
110.07179	0.6
111.04453	4.9
112.03972	8.8
112.07604	4.6
113.02368	5.0
113.04765	1.3
115.03925	0.9
117.05495	12.3
120.08099	0.7
122.06025	43.3
123.00780	12.7
123.04438	2.3
124.07591	3.4
125.06001	2.0
126.05525	1.3
127.03940	0.9
128.07092	1.2
129.05450	0.9
134.06026	2.6
135.04367	0.6
136.03944	1.0
136.07578	2.9
137.06000	1.0
138.05476	6.2
138.06351	0.5
138.09164	0.8
139.07596	0.6
140.07069	48.1
141.05490	0.7
141.07816	0.9
143.03427	0.7
147.04422	0.7
150.05580	0.9
150.07762	16.0
150.09053	1.1
152.07091	2.7
153.01834	1.3
154.04947	4.1
154.08635	3.3
155.03378	3.7
160.11166	0.6
162.05489	3.2
163.08676	2.0
164.07025	0.9
166.08690	2.3
167.07031	0.9
168.06516	0.6
169.04967	0.7
172.06067	3.3
176.07104	0.6
177.05469	1.1
178.05026	2.0
180.06522	0.6
181.09731	3.2
187.06068	2.4
192.06577	1.2
194.08150	3.4
195.06604	2.1
220.06050	2.2
221.04494	0.5
224.09206	0.7
229.09518	0.7
238.07181	1.0
241.18050	0.6
270.09628	1.1
288.10770	100.0
295.11383	3.9
409.16165	3.5
427.12497	1.9
427.17181	44.5
427.26443	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	427.173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92550	0.7
55.29540	0.7
60.51374	0.7
70.06564	1.0
72.02870	0.8
77.14870	0.8
95.27774	1.0
102.48983	0.8
109.99426	0.8
138.59451	0.8
145.02905	1.1
147.59753	1.0
164.82442	1.0
177.05507	6.2
179.05873	0.9
241.58177	0.8
245.33615	0.9
283.12271	1.1
301.45706	0.9
311.94040	0.9
318.42007	1.3
427.17303	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79927	0.6
70.06597	1.4
85.02914	1.5
89.08635	0.8
93.41487	0.8
97.02879	0.9
98.97626	1.0
103.03938	3.3
111.04755	0.8
119.15665	0.8
127.03933	1.4
128.04272	1.1
171.11298	1.1
179.03391	0.9
307.12347	1.5
427.17267	100.0
437.70447	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	427.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55870	0.8
55.60261	0.8
59.42744	0.9
67.05494	1.5
77.65256	0.9
92.21406	1.1
105.07026	4.5
112.13190	1.0
124.58383	0.9
128.06241	1.2
129.06995	1.3
131.04883	1.5
132.05690	1.1
133.06490	6.4
134.94730	0.9
136.05215	5.7
137.05957	1.4
147.04514	1.0
148.05200	6.8
159.08047	4.0
160.05193	5.0
161.05963	5.5
163.07417	1.1
166.06239	28.4
169.06523	1.5
171.08063	3.9
175.03902	1.1
175.07513	9.3
181.08586	100.0
184.05190	5.2
190.06209	20.4
190.61725	1.0
191.07027	4.4
199.07541	40.1
205.08597	48.4
206.09441	1.4
215.08482	1.1
233.09607	3.8
245.09920	0.9
246.10442	1.5
249.09161	1.2
260.08313	1.1
261.09067	9.5
263.10593	1.5
273.06012	1.1
273.09113	5.6
274.09802	1.8
275.10620	2.1
276.11359	4.7
277.08615	5.2
277.12152	1.1
278.09406	3.4
289.08612	16.5
290.09323	8.0
291.10162	3.9
292.10864	1.9
293.11737	11.8
302.09363	1.3
303.10156	9.8
304.10950	12.3
305.08157	4.8
305.11618	31.6
306.09009	3.8
307.13428	3.9
309.11176	1.1
320.10605	1.3
321.11212	61.5
335.12686	16.9
336.13522	56.9
337.10590	5.7
339.15930	1.6
352.12610	1.1
367.15390	68.1
427.26624	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	427.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02270	0.6
50.50057	0.6
64.76673	0.7
66.59223	0.6
66.70417	0.7
67.56868	0.5
69.03414	0.7
69.27552	0.7
70.06603	6.8
70.64660	0.6
72.08146	3.5
73.06592	0.7
84.04482	0.9
84.08138	2.9
85.02872	1.1
86.06068	0.8
86.09704	0.9
95.08644	0.8
100.15393	0.7
110.05983	0.8
110.07198	0.7
117.05496	0.9
120.08121	5.8
122.06039	1.4
129.10245	4.2
140.07088	1.6
147.54350	0.8
154.08678	1.0
155.79967	0.7
166.08595	1.2
182.08176	0.9
183.06496	0.7
203.05247	5.1
212.40332	0.8
247.13033	9.0
288.10883	4.3
298.20541	0.7
353.15637	6.7
409.18323	0.9
427.13638	6.5
427.19394	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1966
Annotation	Abscisic acid glucose ester
Peak:m/z	Relative Intensity
53.20290	1.4
54.02138	1.5
56.05040	1.7
57.03471	1.3
61.45311	1.4
63.05544	1.7
67.05493	3.2
67.44617	1.7
69.03457	11.5
70.06595	12.6
71.04992	1.8
72.08157	9.4
83.04964	1.7
85.02909	3.3
86.09688	7.0
90.32381	1.6
91.05487	3.6
93.07046	9.5
95.04977	13.5
95.08617	2.7
97.02892	3.6
97.06470	2.7
103.03705	1.4
105.07049	12.3
107.08594	6.8
109.06529	11.4
110.07083	2.5
111.04447	7.9
111.08062	3.6
111.80211	1.5
113.06004	4.0
117.07039	2.2
119.08591	12.7
121.06511	9.8
121.10167	1.9
123.08060	8.8
127.03890	3.1
131.08549	9.5
133.06471	1.9
133.10143	2.6
135.08076	20.9
136.07564	2.2
137.09679	1.6
143.08534	1.9
145.06487	2.5
145.10107	9.1
147.04439	2.4
147.08038	10.4
147.11661	6.4
148.02484	1.7
149.09677	2.1
157.10159	7.8
158.07260	1.8
159.08064	10.4
159.11691	10.3
161.09630	15.7
165.09062	11.7
171.11632	2.6
173.09602	8.0
173.13225	7.8
175.07582	20.0
175.11151	14.5
183.11673	2.7
185.09367	3.2
187.11238	13.9
189.09180	3.1
193.08682	2.0
199.11221	3.3
201.12744	12.2
203.10664	10.3
211.11201	6.9
213.12393	1.8
217.12149	3.7
219.13670	2.4
222.24083	1.9
229.12239	8.9
235.08173	1.7
242.08214	1.9
247.13266	35.0
250.80115	1.8
265.14337	100.0
311.65115	2.0
409.18399	9.4
427.11029	1.9
427.19781	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	427.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51495	0.3
55.55946	0.2
79.25983	0.2
87.05579	1.5
92.03969	0.2
103.05477	1.0
115.05080	1.4
119.38571	0.2
120.08105	100.0
147.60286	0.2
149.06032	0.2
161.10712	1.5
166.08607	3.3
177.10254	1.9
182.76698	0.2
210.86400	0.3
217.09714	1.5
222.62787	0.3
234.12402	0.5
262.11865	9.4
269.60233	0.3
313.15491	4.4
337.12698	1.0
339.83743	0.3
341.01767	0.2
381.18918	0.3
409.18854	1.1
427.15311	0.3
427.20035	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	427.1974
Annotation	Abscisic acid glucose ester
Peak:m/z	Relative Intensity
50.23475	0.5
50.77900	0.5
58.91885	0.6
66.93901	0.5
69.03425	1.1
69.36872	0.6
70.02959	2.8
85.02913	2.6
86.85613	0.5
87.05585	4.9
91.05482	3.6
98.02425	2.3
103.05467	2.3
113.40421	0.5
120.08106	100.0
127.03919	3.6
130.06528	21.7
144.08107	4.8
145.04932	0.8
146.05988	1.0
149.05913	0.6
158.09711	0.8
166.08629	7.9
172.07538	7.8
175.08652	18.2
176.07021	0.6
177.10236	8.3
184.07651	0.9
186.09142	2.6
188.53110	0.6
189.10211	2.6
191.23901	0.6
200.07071	6.6
204.10236	2.1
205.09752	2.1
205.47841	0.6
216.11409	1.2
217.09706	11.0
223.10732	3.5
234.12367	29.8
249.06006	1.0
262.11859	27.1
293.18878	0.6
313.15363	1.0
337.12518	1.0
392.13211	1.3
393.14468	2.3
409.18585	1.3
410.17160	1.1
424.77026	0.6
427.15442	2.1
427.20117	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	427.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58105	0.5
56.07520	0.4
66.95443	0.5
70.06587	0.9
71.38435	0.4
78.55238	0.5
81.42926	0.4
87.90659	0.5
92.81854	0.5
93.07092	0.7
94.06521	0.8
96.94905	0.4
97.06551	0.5
97.86147	0.5
98.27222	0.4
108.08130	0.8
109.06515	1.0
110.06052	2.0
122.06040	18.1
136.07594	10.1
137.05928	0.8
139.07513	1.0
140.07072	54.0
147.04472	0.8
154.08633	14.0
164.07028	3.7
165.05484	2.0
169.08611	1.9
182.08133	14.3
196.09689	10.9
197.08083	0.7
213.66702	0.6
214.10744	100.0
296.14865	0.5
427.19403	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	427.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	12.0
57.03440	2.9
58.72670	1.3
59.05007	3.1
60.80534	1.7
61.02926	2.2
68.01801	1.4
69.03435	14.1
69.07074	3.5
71.04990	1.9
71.50046	1.5
76.02247	1.3
80.79950	1.4
81.07069	2.7
83.04995	19.3
83.08627	1.9
84.86470	1.8
85.02914	45.3
87.04474	2.9
93.07031	3.4
93.61523	1.7
95.04971	19.5
95.08598	3.4
97.02892	15.1
99.04433	3.6
101.05997	11.1
105.07021	3.9
107.08569	7.0
109.02858	3.1
109.06519	7.8
109.10154	7.7
119.08565	3.0
121.06482	2.1
121.10174	7.1
123.08028	1.9
123.11660	3.9
127.03914	12.9
131.08653	1.6
131.78400	1.6
133.10164	2.4
135.08025	6.4
135.11699	10.3
138.44284	1.6
145.04912	3.2
145.10146	7.2
147.11681	10.7
149.09586	2.5
159.11690	2.5
161.09618	2.0
161.13232	2.1
163.11131	7.1
165.12735	49.4
171.11610	2.1
177.09129	3.5
187.14830	3.8
189.12753	6.1
191.10675	10.4
205.15912	9.4
229.15857	2.0
236.07019	2.7
247.16953	22.7
265.07361	2.4
265.17957	100.0
427.17517	1.7
427.23248	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	427.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71917	0.7
67.05489	0.9
81.07064	1.0
85.05089	0.8
93.43350	1.1
94.85430	0.8
95.08586	1.0
131.88713	0.9
134.06708	0.7
167.10423	6.7
315.12033	7.0
379.41013	0.9
399.27820	0.9
427.24570	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2455
Annotation	Methylcarbamyl PAF C-8
Peak:m/z	Relative Intensity
52.39739	0.9
54.20851	0.9
62.34068	0.9
67.05527	1.3
73.19580	1.0
95.08594	1.3
109.10146	2.2
131.58084	1.1
143.73676	1.2
160.54924	1.1
167.10445	12.4
171.00568	1.3
189.01643	6.5
315.11990	2.7
393.86200	1.1
410.39941	1.3
427.24625	100.0
427.30127	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	427.2666
Annotation	Methylcarbamyl PAF C-8
Peak:m/z	Relative Intensity
53.37594	0.5
54.13359	0.4
56.47439	0.4
73.87131	0.6
87.39453	0.5
123.42492	0.5
144.98282	0.6
145.63870	0.6
166.06314	2.3
181.08577	7.2
190.06313	2.2
199.07529	3.9
205.08559	3.1
207.54677	0.5
305.11771	1.2
321.11346	4.5
324.36859	0.6
335.12848	1.1
336.13492	3.2
367.15350	4.1
427.26669	100.0
440.41733	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2665
Annotation	Methylcarbamyl PAF C-8
Peak:m/z	Relative Intensity
54.84908	0.5
71.22845	0.5
92.21508	1.3
95.08616	0.7
95.82417	0.6
101.27848	0.6
122.19625	0.6
220.76094	0.7
369.76154	0.8
427.26709	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	427.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59651	0.4
50.61807	0.4
54.79063	0.3
55.05507	0.4
57.07078	3.3
57.42962	0.3
67.43555	0.3
69.07053	0.5
71.08630	2.0
72.04517	12.1
72.47256	0.4
79.05485	0.7
83.08596	2.1
85.10126	0.5
93.07036	0.5
97.10178	1.9
107.08572	2.4
124.11198	0.6
125.09614	2.5
131.18507	0.5
135.08118	0.5
142.12244	0.7
158.70378	0.4
159.23212	0.4
170.11739	5.7
175.15277	0.4
183.57924	0.4
212.23650	3.2
230.24799	13.0
240.23203	100.0
258.24243	6.1
301.02997	0.5
409.37854	3.9
410.32047	2.8
427.34836	8.5
427.40268	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	427.357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	14.7
57.07079	4.6
60.88449	3.1
67.05514	26.0
69.07059	19.9
79.05486	17.7
81.07066	65.2
83.08628	13.0
91.05468	19.8
93.07037	60.3
95.08602	100.0
97.10155	13.9
102.75395	3.4
105.07031	49.3
105.92712	3.3
107.08596	61.4
109.06508	2.9
109.10157	70.0
117.06995	4.9
117.41063	2.8
119.08589	40.4
121.10138	56.2
123.08074	4.2
123.11697	42.5
125.09643	6.3
131.08556	15.4
133.10124	44.6
135.11690	48.7
145.10156	31.6
147.11693	40.2
149.13254	32.5
157.10120	5.6
159.11685	26.7
161.13277	33.0
163.14775	30.2
171.11665	3.6
173.13226	28.6
175.11285	3.8
175.14806	26.6
177.16391	13.6
184.17509	3.5
185.13167	7.7
187.14833	7.2
189.16428	12.6
197.13306	4.2
199.14801	4.6
201.16370	15.6
203.17934	17.6
213.16376	13.2
214.14343	4.7
215.17941	36.8
217.19539	20.6
240.26860	74.7
243.21091	15.0
255.21072	4.3
258.27951	7.7
263.50266	3.2
271.24014	4.5
283.24344	3.6
308.39716	3.4
325.28809	5.7
391.33609	17.0
409.34598	73.1
427.34735	67.6
427.39844	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	427.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18647	0.5
53.00298	0.5
55.05524	6.7
55.39651	0.5
56.56577	0.5
57.07084	5.9
67.05503	2.2
69.06700	1.3
69.07072	33.8
69.15353	0.6
71.08614	1.4
79.05486	0.7
81.07085	5.2
83.08626	10.4
87.21581	0.5
93.07040	1.0
95.08636	5.2
97.10166	4.7
107.08585	1.4
109.10162	4.1
111.11747	1.3
111.63860	0.6
119.08587	0.8
121.10085	0.6
123.11700	1.1
128.34148	0.6
131.08534	0.7
133.10172	0.6
135.08014	0.7
135.11652	0.9
137.09621	3.2
137.13263	0.8
139.07484	0.8
149.09612	9.4
151.07458	1.0
159.11690	0.8
160.50352	0.6
161.09644	1.1
163.11174	6.9
165.09109	100.0
175.11197	3.6
177.09090	8.7
177.12740	1.0
179.10640	1.0
187.11156	1.2
189.09111	3.1
189.12798	0.7
190.09964	0.6
191.10657	8.4
191.14369	0.6
198.55495	0.7
201.12840	1.3
203.10612	5.5
203.14313	1.4
205.12257	11.2
213.36275	0.6
215.14291	0.8
217.12199	1.2
219.13835	1.1
231.13780	1.3
289.21207	0.8
317.24487	0.8
345.28015	2.4
427.24362	0.8
427.35681	31.7
451.09616	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	427.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47527	1.0
55.05516	17.8
57.07082	20.5
57.60190	1.0
59.01617	0.9
67.05515	1.7
69.07068	32.9
71.08633	12.8
71.50419	1.2
81.07055	6.8
83.08620	25.4
83.98204	1.3
85.10189	5.2
93.07028	5.6
95.08580	8.8
97.10179	17.4
105.07073	1.5
106.65240	1.2
107.08588	5.4
109.10163	7.1
111.11702	8.2
116.86221	1.1
116.99287	1.2
117.68110	1.0
119.08624	2.1
121.10152	2.2
123.11684	5.3
125.13214	1.5
133.10135	1.8
135.08037	2.1
135.11707	1.8
137.05997	1.3
137.09602	7.0
139.07565	2.0
149.09627	24.3
151.07541	1.5
152.79216	1.3
161.09604	1.8
163.07660	1.3
163.11159	7.6
165.09099	100.0
175.11171	6.3
176.08405	1.7
177.09142	11.4
177.12659	2.0
179.10661	4.3
185.13222	1.5
187.11160	5.9
188.11993	1.7
189.09157	4.7
189.12740	5.3
191.10658	21.0
199.11131	2.9
199.14769	1.9
201.12770	2.9
203.10728	8.1
203.14288	4.6
205.12222	15.0
213.12840	2.3
216.11484	2.0
217.12277	2.7
219.13744	9.6
231.13840	8.4
245.15331	5.2
275.27307	2.1
300.21255	1.3
331.25690	1.4
345.27899	5.4
409.34604	5.2
427.35681	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	427.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.2
57.07074	5.4
58.06610	1.2
62.06096	0.8
69.07066	3.3
71.08637	3.7
72.04527	11.9
75.94257	0.7
78.67454	0.8
79.05497	1.9
85.10188	1.5
93.07042	1.1
95.08588	1.0
97.10146	1.8
107.08600	4.5
109.17125	0.8
111.08146	1.0
120.43370	1.0
121.10173	0.9
124.11160	0.9
125.09587	1.6
135.08125	1.2
135.11681	6.0
141.56622	0.7
152.14322	7.7
153.09102	0.9
153.12752	1.5
166.35347	0.8
170.11775	7.4
171.70876	0.8
198.13361	0.9
198.14890	7.0
199.33209	0.9
212.23730	49.0
224.16458	10.5
225.14851	1.7
230.24776	74.7
240.23215	100.0
241.19073	3.5
242.17490	4.0
258.24292	5.0
409.37897	84.7
410.31665	1.6
410.36612	19.2
427.39276	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	428.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	13.9
57.07073	2.0
59.04998	2.0
61.02930	5.1
69.03054	2.1
69.03432	55.6
71.04986	1.4
71.51955	1.0
73.02921	17.8
75.16496	0.9
81.03413	6.9
85.02906	100.0
85.50794	1.1
87.04465	52.9
91.03941	4.5
95.08594	1.3
97.02892	68.7
97.97248	1.1
99.04437	5.6
101.14292	1.3
103.03955	2.3
109.02899	8.7
115.03925	74.4
127.03897	24.6
133.04971	69.2
139.03889	1.9
145.04953	38.5
150.07599	7.6
163.06015	20.5
170.99791	1.4
185.77522	1.0
223.06096	1.8
237.57880	1.3
241.07085	2.2
259.08154	10.6
277.09171	2.5
279.17941	6.2
295.10168	11.6
348.29199	1.2
396.09268	1.3
426.24387	1.2
428.23962	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	428.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19824	1.3
53.00294	1.5
55.01880	2.3
57.03444	19.6
59.05004	3.2
60.04512	2.1
61.02930	2.5
64.49001	1.5
69.03432	63.7
72.08155	1.8
73.02911	3.9
81.03425	3.4
85.02906	100.0
86.09722	3.1
87.04465	67.3
91.03970	5.9
97.02892	75.7
99.04433	2.5
100.07597	1.6
103.03922	2.7
109.02876	8.2
111.04438	1.8
111.20770	1.5
114.09165	9.1
115.03929	91.9
125.05984	1.5
126.28565	1.7
127.03907	26.6
133.04964	77.0
145.04961	38.5
150.07611	7.0
159.65677	1.6
163.05988	20.8
227.24799	1.8
241.06979	2.0
249.16985	2.2
259.08203	10.9
263.81793	1.5
277.09268	1.7
279.18005	7.6
295.10266	11.9
423.16260	1.7
428.14209	2.1
428.23523	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	428.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
65.10223	0.8
84.64328	0.6
118.41136	0.7
124.67686	0.6
127.34494	0.9
128.13196	1.0
146.84254	0.8
359.03253	0.8
428.26913	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	6.7
55.05517	48.4
57.03436	18.6
57.07087	20.1
65.45718	3.5
67.05511	79.6
69.03414	6.2
69.07072	100.0
71.01359	64.9
71.08627	25.4
73.44574	4.7
79.05494	49.9
81.03420	17.7
81.07066	72.5
81.07502	7.2
83.04987	20.4
83.08622	31.3
85.06538	28.0
91.05466	38.0
93.07057	54.5
95.04973	26.1
95.08626	61.7
97.06539	7.7
97.10162	31.8
99.08105	24.0
101.92730	4.0
105.07020	25.7
107.08594	45.4
109.06521	7.2
109.10166	21.4
111.08068	6.5
119.08598	19.8
121.06474	4.7
121.10136	26.2
123.62948	5.3
125.09621	34.0
131.08575	9.9
133.10107	19.9
135.08076	4.8
135.11736	39.3
135.12553	4.6
135.70970	4.2
137.09628	5.9
139.11153	10.6
145.10141	9.3
147.11682	9.4
149.13222	7.8
157.10123	6.7
159.11650	5.7
161.13332	4.9
163.11235	9.7
164.99147	4.9
173.11731	5.7
181.12209	18.0
184.28165	4.1
193.12244	6.7
203.12801	16.5
213.14915	10.2
255.15874	6.7
259.20465	6.8
277.21594	25.8
291.23087	8.6
293.21164	8.8
308.23297	5.0
309.24194	9.1
337.06113	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	429.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22942	0.4
51.15336	0.5
55.05510	0.5
56.84769	0.4
58.85361	0.4
61.02936	0.5
69.03423	2.9
70.06593	1.1
73.02925	0.7
73.06471	0.4
78.08031	0.5
81.03435	0.6
81.07043	0.7
84.04496	0.7
85.02905	6.1
86.03246	0.9
86.09689	3.9
87.04472	2.6
88.04787	0.6
91.40801	0.5
95.08648	0.7
97.02880	3.1
107.66575	0.5
109.02859	0.7
112.76874	0.6
115.03944	4.4
116.04211	0.6
119.08554	0.6
127.03910	0.8
132.06581	0.9
133.04970	3.3
134.05293	0.6
145.04967	1.1
147.11664	0.7
153.36279	0.6
163.06015	0.7
177.05399	0.9
185.04218	2.4
201.05392	0.6
209.69579	0.6
273.80258	0.5
285.13034	1.0
367.17175	2.4
369.15170	2.9
414.34729	0.6
429.17252	100.0
430.79541	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	429.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91368	0.3
59.68618	0.3
62.81215	0.3
63.50274	0.3
64.51441	0.4
66.76015	0.3
67.33534	0.3
69.07060	0.4
69.84547	0.3
74.57677	0.3
88.07637	0.7
95.08622	0.4
105.07042	0.6
112.99999	0.7
169.02621	0.8
256.26434	0.5
265.32123	0.4
327.15039	2.0
334.95471	0.4
341.16260	0.7
400.17865	1.9
401.18597	35.2
429.21735	100.0
429.33646	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	429.217
Annotation	CAY10594
Peak:m/z	Relative Intensity
55.35159	0.2
72.06866	0.3
105.74265	0.2
112.62377	0.2
113.00005	0.4
129.29149	0.2
131.95880	0.2
169.02614	0.6
256.23834	0.3
256.26450	1.1
327.14954	2.4
341.16504	1.3
372.14261	0.3
400.17804	2.2
401.18564	18.9
413.44144	0.3
414.19379	0.4
429.21716	100.0
429.33298	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	429.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96577	0.3
57.07080	0.3
69.07105	0.3
70.06593	0.5
70.40089	0.2
71.01187	0.2
71.04983	0.2
77.66590	0.2
88.07629	2.0
102.09182	1.4
107.08646	0.2
107.75519	0.3
111.08083	0.4
113.00040	0.4
139.07523	0.5
156.10187	0.3
182.11801	0.2
183.10191	0.5
186.15051	0.2
189.04321	0.3
200.12866	2.8
212.23546	0.3
219.63094	0.3
256.26340	11.0
278.08197	0.5
327.14783	2.9
329.14139	0.3
341.16583	1.4
347.15311	2.2
365.16318	3.5
383.17557	0.6
400.17792	1.8
401.18607	17.4
414.19046	0.6
429.21744	100.0
429.33316	3.3
429.37073	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	429.261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13882	0.9
62.56495	0.8
62.62393	0.8
63.08773	0.8
70.37113	0.9
71.43850	0.8
72.56908	0.8
82.18727	0.8
91.66785	0.8
124.17044	0.8
136.89127	0.9
164.86017	1.0
169.11978	1.8
171.00438	0.9
183.32466	0.9
189.01611	3.9
301.14261	1.4
317.13812	1.6
361.26212	1.0
429.26102	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.261
Annotation	Unknow
Peak:m/z	Relative Intensity
63.08719	1.0
115.00871	1.2
121.01289	1.0
149.90147	1.2
169.12012	1.7
189.01619	4.6
195.49321	1.2
287.56772	1.2
317.13599	5.2
429.26047	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78617	1.2
55.05527	2.4
56.05040	7.5
60.05643	1.8
62.29019	1.1
67.05512	6.3
68.49720	1.0
69.04541	1.4
69.07075	2.0
70.06610	1.8
70.66783	1.0
71.05000	1.3
72.04531	1.7
72.08132	1.2
74.02441	3.2
74.06079	3.1
76.05132	14.0
78.21883	1.1
81.03393	1.5
81.07069	3.2
83.04935	1.3
84.08169	2.4
86.09709	1.7
86.95780	1.4
91.05511	1.7
93.07035	2.6
95.08618	5.5
96.05613	21.8
102.05556	3.0
105.07056	2.0
107.08633	1.8
109.10170	1.5
110.07193	2.8
112.05083	2.2
116.08244	7.6
118.05029	6.5
119.08592	2.9
120.06583	2.3
121.10212	1.7
122.20885	1.3
128.08173	4.5
133.10115	1.8
137.09631	7.2
140.50075	1.3
160.07213	5.2
168.11433	1.6
172.79323	1.5
177.09912	3.2
182.12933	6.4
193.87561	1.4
224.16414	1.6
247.88774	1.3
292.20105	1.8
294.22223	1.4
296.19775	12.9
310.21216	24.1
321.39246	1.3
328.22452	6.0
366.24246	2.1
397.24570	11.4
411.25934	14.2
429.27200	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86259	0.6
51.03766	0.6
57.07077	2.9
67.05512	1.0
70.06587	6.7
71.08614	2.6
71.50345	0.6
73.02913	0.7
81.07057	1.2
83.08614	3.4
88.07634	16.8
92.29736	0.7
93.07063	1.1
95.08594	2.6
99.04449	1.2
101.98163	0.8
102.09180	15.5
107.08589	1.0
110.09711	0.8
111.08099	2.4
113.00021	12.0
115.19447	0.6
121.67359	0.7
124.81528	0.8
125.99841	0.7
128.10724	3.1
136.89905	0.6
138.09120	1.0
139.07512	5.5
139.82381	0.6
140.92993	0.7
152.29604	0.7
156.10213	3.7
157.08536	1.0
169.02594	13.7
182.11792	3.0
183.10181	8.9
200.12823	28.7
212.23802	2.5
233.65350	0.8
250.23781	0.7
256.26328	100.0
261.22214	2.9
274.27399	4.1
327.15039	1.6
367.33295	1.6
400.17740	1.2
401.18582	11.8
429.21704	85.5
429.37292	70.0
441.73447	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	429.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87264	0.5
57.07074	3.5
58.06602	0.8
58.84312	0.6
70.06596	6.3
71.08628	3.3
83.08613	3.0
85.10181	0.8
86.09682	0.6
88.07120	1.0
88.07632	21.9
93.07043	0.7
95.08589	0.9
99.04416	1.4
101.47773	0.6
102.09179	14.1
111.08087	4.2
113.00008	4.2
118.68147	0.6
121.06514	0.7
128.10703	2.6
129.61804	0.6
138.09102	0.8
139.07539	6.6
156.10205	3.8
157.08537	0.7
169.02612	3.3
169.40044	0.7
182.11740	3.1
183.10172	11.6
200.12808	29.0
212.23749	1.2
256.26334	100.0
258.81805	0.7
274.27402	4.3
327.14883	3.2
401.18628	13.4
429.21716	76.3
429.37057	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	429.3727
Annotation	3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde
Peak:m/z	Relative Intensity
50.77195	0.8
55.05522	1.1
57.07090	17.6
67.05515	1.1
69.07063	4.7
71.08633	13.7
81.07075	7.8
83.08628	1.7
85.09695	0.9
85.10190	7.2
92.87088	0.9
95.08607	6.9
97.10136	1.4
107.08650	0.9
109.10143	3.9
121.10110	1.2
123.08018	1.2
123.11659	1.0
128.22908	1.1
135.08060	1.6
137.09602	6.8
139.07516	1.8
145.10155	1.3
149.09608	12.4
159.11633	1.9
161.09685	1.1
163.07605	1.2
163.11203	19.8
165.09116	100.0
173.09694	1.7
173.13269	2.2
175.11162	7.0
177.09126	14.3
177.12730	1.8
187.11194	4.3
187.14952	0.9
189.12746	1.9
190.09889	1.5
191.10695	12.6
201.12767	1.5
205.12254	12.6
219.13783	3.6
229.46730	1.1
233.15363	1.3
265.62091	1.0
377.97705	1.0
429.37250	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	430.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13530	0.2
69.03422	0.2
70.06596	0.3
71.36717	0.2
79.05497	0.4
81.03418	0.2
84.08134	0.4
85.02920	2.0
86.09734	1.5
97.02885	0.8
99.04476	0.9
100.71142	0.2
103.03942	1.4
106.06562	100.0
109.02862	0.3
118.06557	0.4
124.07606	1.2
127.03899	1.6
129.10237	0.4
145.04921	0.4
196.14526	0.2
207.42322	0.2
242.14980	0.2
250.10788	0.3
430.17126	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	430.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58192	0.3
68.61024	0.3
70.06590	2.1
72.08154	0.8
84.08134	0.9
85.02914	0.7
86.00065	0.4
86.09701	1.8
103.03933	0.4
103.05468	2.1
103.07693	0.4
107.04961	0.7
109.37832	0.5
120.08105	100.0
120.14169	0.4
124.07577	0.5
125.86694	0.4
127.03928	0.7
129.10236	0.9
131.04922	2.8
149.05995	2.7
153.56444	0.4
166.08630	48.0
175.13539	0.5
192.13914	0.5
247.01727	0.4
250.17952	0.9
430.16928	0.7
430.23627	0.7
445.88300	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	430.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89086	0.4
65.11491	0.4
65.81541	0.5
70.06590	1.7
72.08151	0.4
82.16719	0.5
83.10300	0.5
84.08136	0.9
85.02903	0.9
86.09705	1.1
87.04472	0.5
103.05462	2.2
106.06602	0.8
120.08109	100.0
120.32426	0.4
129.10254	1.7
131.04944	3.0
137.41211	0.5
145.09297	0.5
147.04396	0.5
149.05966	2.6
166.08633	49.8
177.00735	0.4
177.59322	0.4
179.04358	0.5
250.18028	5.2
320.79221	0.5
430.18008	1.9
430.24316	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	430.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37415	1.0
57.03444	15.0
57.07075	13.3
59.05000	2.5
60.81520	1.1
63.04493	30.5
63.48829	1.0
69.03057	2.0
69.03434	60.6
70.06593	1.7
73.02921	2.9
81.03407	1.2
84.08136	2.6
85.02906	46.2
86.09713	3.1
87.04468	59.7
92.75288	1.2
93.10573	1.3
94.88386	1.3
97.02892	67.3
99.04439	1.9
106.06554	100.0
109.02901	1.5
115.03927	91.2
116.61801	1.3
119.10692	88.6
127.03909	7.6
129.10252	2.9
133.04956	66.2
133.05949	2.7
145.04935	6.3
150.07617	3.1
163.05995	1.3
226.51239	1.4
241.06967	1.7
251.14833	11.6
259.08130	2.5
263.36551	1.5
263.43314	1.2
264.09415	1.5
281.15894	15.2
295.10141	9.4
430.16629	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	430.265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85656	0.4
57.03447	7.4
59.05008	100.0
61.02940	0.7
69.03428	2.4
70.06583	2.4
72.08153	0.9
79.14450	0.5
84.08141	1.1
85.02923	9.2
86.03298	0.5
86.09711	4.8
97.02910	2.8
99.04452	1.0
99.08103	2.1
104.39420	0.5
106.06543	0.6
109.02896	2.6
109.44437	0.5
116.07059	0.5
117.09128	22.3
127.03937	3.5
128.04265	0.9
129.10202	0.7
145.04973	2.6
145.10110	0.8
149.53323	0.5
151.52776	0.5
163.05971	0.6
163.11169	2.5
164.11565	3.8
175.13278	3.8
183.83604	0.5
191.17905	0.5
199.47894	0.5
224.13902	0.7
228.29695	0.5
229.36115	0.6
251.18529	76.9
413.23654	1.1
430.17416	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	430.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31940	0.3
53.64361	0.3
54.34983	0.3
54.51628	0.3
55.05515	0.4
60.04523	1.5
68.05025	0.6
69.03436	1.4
70.06592	0.5
71.05004	0.5
80.05058	0.8
81.03417	1.6
81.07060	0.4
84.04510	4.8
84.58718	0.3
86.06069	0.5
87.04488	0.4
89.88424	0.3
93.07077	0.4
96.04497	10.7
97.02883	2.5
98.06059	8.4
99.04437	0.8
102.09225	0.6
104.07106	1.5
108.04488	0.4
109.02861	4.0
114.05508	0.6
124.03952	0.6
126.05518	20.1
126.55030	0.3
127.03924	1.9
136.06194	2.7
138.05513	100.0
144.05429	0.6
144.06566	19.1
152.68100	0.3
163.55440	0.3
168.06560	16.6
186.07629	20.9
204.08641	4.2
205.36217	0.4
223.06044	0.4
252.92953	0.4
261.63043	0.3
295.76379	0.3
319.53210	0.3
333.53000	0.4
430.27805	6.5
430.33026	0.3
430.35767	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	430.28
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69891	0.6
52.90322	0.6
56.05035	1.7
67.05515	5.7
69.03443	1.6
69.07088	1.3
72.14750	0.8
74.91940	0.6
79.05515	0.9
81.07067	1.4
85.02912	1.4
86.06074	18.9
86.09711	0.9
87.04475	16.0
91.05488	3.2
93.07057	2.5
95.04937	0.8
95.08626	0.9
97.06555	0.9
98.06046	12.6
100.22881	0.8
102.05518	0.8
104.07122	4.2
109.10146	7.1
110.68884	0.7
112.07592	1.0
114.09116	2.3
119.08579	12.7
124.07593	7.5
127.03925	1.3
128.22356	0.7
137.09619	57.1
154.12273	8.5
166.47325	0.8
172.13301	4.9
204.13873	3.8
222.14883	22.9
233.64333	0.7
256.15439	0.7
258.17001	100.0
298.20132	1.7
332.20889	0.8
376.56671	0.7
398.21225	1.3
430.28021	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	430.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04740	0.4
56.64014	0.5
57.07087	5.2
57.50971	0.5
66.16850	0.4
67.05498	0.8
68.45142	0.5
71.08631	5.5
73.02915	0.5
79.08069	0.4
81.07078	3.7
88.07659	0.6
91.45470	0.5
97.10172	0.6
115.64146	0.4
148.03380	0.5
185.15366	100.0
212.51405	0.6
242.24638	0.7
294.23004	0.5
300.29645	0.5
331.17828	0.5
379.25543	0.5
421.51779	0.5
430.38962	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	430.389
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07087	4.5
61.34030	0.3
64.61179	0.3
67.05511	0.7
71.02025	0.4
71.08352	0.3
71.08634	5.3
73.02924	0.5
75.71821	0.5
81.07043	2.7
83.08602	0.4
85.26823	0.4
92.20997	0.5
104.07082	0.5
123.11697	0.7
138.91606	0.4
141.12692	0.5
185.15367	100.0
382.35727	0.4
430.38919	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	431.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67594	0.3
69.03413	0.6
81.03418	1.2
85.02898	1.7
85.06530	0.4
87.00812	0.4
87.64052	0.3
89.02992	0.3
90.27872	0.3
95.04977	0.5
97.02888	0.5
99.04466	0.5
102.97730	0.3
105.01892	0.4
109.02873	0.8
119.04956	0.5
125.09622	0.4
127.03908	1.9
131.04921	0.4
137.05991	5.5
141.05473	7.2
145.04927	0.5
157.10065	0.3
159.02867	0.4
165.05472	25.9
183.06526	100.0
318.02017	0.3
335.72229	0.3
421.76071	0.4
431.11841	1.2
431.25168	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	431.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
62.58271	0.2
67.22954	0.2
70.06604	1.8
72.08145	0.5
86.09695	0.6
88.24907	0.2
110.07182	0.4
116.07091	0.4
118.43528	0.2
119.06062	6.3
120.76709	0.2
129.10197	0.3
136.07625	0.5
137.07121	2.4
147.04462	0.2
147.05531	1.0
148.03952	0.6
148.06314	0.5
149.07085	5.8
156.07697	0.3
159.62440	0.3
165.06593	33.4
166.07375	6.9
183.07649	100.0
195.30389	0.3
207.05911	2.1
238.09372	0.3
251.04857	1.0
269.05722	0.4
277.77518	0.3
311.12491	0.4
431.12790	5.4
431.24756	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	431.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.4
55.81236	0.4
56.20795	0.4
58.64482	0.4
59.02291	0.5
60.37196	0.4
61.02930	0.5
63.99939	0.4
65.96475	0.4
69.03437	7.6
70.06598	11.1
71.05002	0.5
72.08150	3.4
73.02904	1.9
73.49426	0.4
81.03419	4.9
82.06603	0.7
84.04502	0.8
85.02911	6.8
86.09699	5.1
92.05005	1.0
95.58549	0.5
97.02900	3.8
99.04454	1.9
102.05531	0.9
109.02866	4.7
110.06044	0.6
110.07149	0.7
114.71651	0.4
116.07080	4.4
119.06068	7.3
120.04454	9.1
120.08084	0.7
127.03912	6.6
129.10229	1.6
137.07085	4.4
138.05475	0.5
145.04984	0.9
147.05545	7.0
148.06314	42.4
149.07108	7.7
159.11238	5.0
159.12306	0.4
165.06587	100.0
166.07367	2.8
177.42056	0.4
183.07640	48.8
187.05988	0.7
187.10802	0.9
197.40715	0.5
198.31277	0.5
215.13869	1.0
217.11913	1.0
223.98096	0.5
227.10155	1.6
228.90125	0.5
236.78659	0.4
245.11182	0.6
316.15100	2.2
345.12970	7.1
387.14023	9.8
431.12933	77.2
431.22250	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	431.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04678	0.2
62.10122	0.2
85.02889	0.3
86.09698	1.2
97.02933	0.2
114.09124	0.7
119.48660	0.2
127.03971	0.3
145.02783	0.3
181.08525	1.2
226.06166	0.4
235.88516	0.3
240.33017	0.2
254.05722	0.5
269.08066	100.0
421.68085	0.2
431.13184	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	431.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14473	0.2
56.05037	0.3
67.15955	0.2
74.06104	0.3
83.04964	0.2
96.05626	0.3
102.05523	0.2
102.66142	0.2
107.04939	0.4
109.10136	0.3
114.09181	0.4
117.49033	0.3
143.77942	0.2
156.11313	0.3
194.92014	0.2
213.09148	1.5
237.05441	0.5
253.04906	0.3
254.05701	2.1
269.08084	100.0
399.26309	0.4
404.95239	0.3
431.13339	1.7
431.29263	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	431.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95293	0.6
55.44371	0.6
67.05492	0.7
67.13050	0.7
69.07044	0.9
70.06593	4.1
71.66083	0.8
72.08157	6.3
76.87260	0.7
78.74683	0.6
84.08143	4.6
86.09705	46.5
87.10037	1.0
95.92081	0.7
96.16440	0.7
97.02919	0.7
102.05547	1.8
104.55415	0.7
110.53796	0.7
122.06030	0.8
129.10258	1.5
130.05092	0.8
130.06541	1.1
130.08694	0.7
143.11786	4.1
145.02835	1.0
146.35750	0.8
148.06018	1.4
154.08604	12.3
162.05238	1.4
170.05957	1.3
171.11232	1.0
176.03336	0.8
176.06801	3.6
177.05479	1.7
189.12370	3.0
197.12895	1.0
205.11821	0.9
208.28856	0.8
215.13875	4.0
228.02669	8.1
243.13364	1.4
246.03749	8.4
247.12914	1.0
261.14474	1.0
284.19662	1.8
297.08356	0.8
316.12927	1.3
329.11023	18.7
329.14642	1.1
367.08807	1.2
387.22333	1.4
399.11594	100.0
431.13525	12.9
431.24887	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	431.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
60.42636	0.4
66.22282	0.4
67.05512	0.7
69.03429	3.4
74.94706	0.4
78.60391	0.5
81.03413	0.5
81.07079	0.6
84.08155	0.7
85.02950	0.5
107.08630	0.9
117.87163	0.5
135.11636	0.6
150.21971	0.6
153.12772	0.6
185.04214	5.5
198.14919	2.6
269.13690	0.6
274.13702	0.5
287.15036	0.6
332.52576	0.5
369.18591	2.0
371.16708	0.8
431.18893	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2065
Annotation	Athamantin
Peak:m/z	Relative Intensity
55.05524	0.3
57.03436	0.3
60.78907	0.2
62.34716	0.2
64.59897	0.2
69.03439	2.5
79.05491	0.9
81.03427	0.3
83.04992	1.6
95.32352	0.2
99.04485	0.2
101.53790	0.2
103.05446	0.3
105.07037	3.2
107.08597	1.9
111.04421	1.4
119.08575	1.1
123.08082	1.9
125.59702	0.2
126.73124	0.2
129.05501	2.2
133.06499	100.0
135.08023	0.4
147.06535	0.4
151.07484	1.4
213.08026	0.3
229.07481	0.9
231.09149	0.4
243.09108	0.2
247.08620	0.3
279.12256	4.3
283.24643	0.2
297.13324	7.0
300.61057	0.2
349.16913	1.3
367.18008	0.5
431.32034	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	431.2501
Annotation	Ala-Leu-Leu-Asp
Peak:m/z	Relative Intensity
52.74380	0.2
55.62544	0.2
61.23035	0.3
62.03806	0.3
63.25393	0.2
66.05095	0.2
69.07074	4.4
70.02940	0.2
70.06588	1.1
72.08172	1.3
75.05609	1.9
84.04504	1.6
84.08170	0.4
86.09711	100.0
87.05621	0.3
96.50791	0.3
102.05547	1.3
107.40559	0.3
129.10262	1.3
130.04973	3.1
143.11804	22.9
145.02826	0.3
147.04582	0.3
148.06044	11.8
165.09023	0.3
171.11266	8.4
187.69873	0.3
197.12708	0.3
239.17532	1.2
256.20129	0.5
261.14441	7.5
284.19699	8.5
302.20465	0.3
318.16629	2.4
323.25952	0.3
352.19733	0.3
371.13269	0.3
413.24167	0.6
431.12277	6.2
431.25021	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	431.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.6
55.05516	1.2
57.03437	4.8
57.07074	0.6
67.05515	9.5
69.07074	2.6
71.08613	0.6
79.05499	2.8
80.60969	0.5
81.03419	0.6
81.07062	13.1
83.08610	1.2
91.05468	2.7
93.07034	2.4
95.08601	9.8
97.06562	0.6
97.10177	0.9
103.35305	0.5
107.08585	2.7
109.10158	5.1
113.00017	97.3
119.08602	1.0
121.10142	2.4
123.11727	1.4
131.01112	0.6
133.10126	2.8
138.05487	1.1
139.01575	0.6
144.40123	0.7
147.11705	1.1
149.13232	0.8
151.11264	0.6
161.82623	0.6
163.14697	0.7
168.95076	0.5
169.02603	100.0
189.00569	0.9
224.15791	0.6
245.22565	4.7
263.23669	10.7
349.13129	2.3
367.13947	2.9
390.15631	0.9
413.31030	0.7
431.25586	2.9
431.33286	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	431.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.2
55.87310	0.5
57.03452	4.6
57.07065	0.5
59.71022	0.5
67.05508	8.9
69.07065	1.3
75.38762	0.5
79.05492	2.6
81.03400	0.6
81.07061	10.9
83.08620	3.1
91.05488	2.1
93.07043	3.9
95.04934	0.7
95.08604	9.9
105.07037	0.8
107.08600	1.0
109.10184	4.9
109.10825	0.5
113.00018	97.3
119.08597	0.6
121.10130	2.6
123.11755	1.3
133.10123	1.3
145.03157	0.6
161.65091	0.5
163.14796	0.7
169.02606	100.0
202.11549	0.6
243.24748	0.6
245.22624	3.1
263.23703	9.0
349.13043	1.1
431.25406	1.1
431.35825	0.9
439.95306	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57816	0.4
51.24172	0.4
57.62551	0.4
69.07060	2.1
70.06594	9.3
72.08145	1.9
73.06526	0.4
79.05498	0.8
80.05381	0.5
84.04513	0.9
84.08152	1.1
86.09708	7.0
90.37067	0.5
90.37701	0.4
96.08134	12.2
104.19650	0.5
113.10770	0.9
114.09171	10.4
116.07090	0.7
129.10248	1.8
146.05986	1.0
171.11320	0.8
173.12773	0.5
185.16541	0.9
188.07082	4.5
189.10229	0.6
203.10257	1.8
205.09790	0.9
209.16481	16.6
213.15869	0.6
219.09637	0.9
220.43921	0.5
227.17535	100.0
323.15903	1.9
431.20242	2.0
431.25192	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	431.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61523	0.3
55.05522	0.4
57.03429	0.2
63.41219	0.3
65.79086	0.3
67.05499	2.6
69.07053	0.5
71.08620	0.7
74.13175	0.3
81.07059	4.2
83.08603	0.5
93.07038	0.4
95.08611	4.1
97.10166	0.5
99.08117	1.3
101.15599	0.4
107.08575	0.7
109.10143	1.7
121.10147	0.7
123.11709	0.4
125.09625	0.6
135.11739	0.5
136.06190	100.0
147.11678	0.7
149.13289	0.5
151.09148	0.3
163.51520	0.3
279.23245	2.0
296.25815	0.8
431.31299	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	431.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72595	0.3
51.37695	0.3
55.01885	0.4
55.05503	0.4
57.07072	0.8
65.28487	0.3
67.05493	1.8
69.07059	0.8
71.79781	0.3
79.05506	0.4
81.07054	3.3
85.10162	0.5
86.06062	0.4
89.92945	0.3
93.07007	0.7
95.08601	3.0
96.04490	0.5
98.06023	0.4
98.98450	0.5
101.79870	0.4
104.07111	0.8
107.08588	1.6
109.10152	1.9
113.09654	0.9
121.10138	1.6
123.11678	0.7
125.09595	0.4
127.05786	0.5
133.10112	1.7
135.11699	0.7
136.06187	100.0
138.05498	6.0
139.05873	3.0
139.11212	0.6
144.06619	0.9
149.13301	0.7
168.06609	0.9
186.07605	0.4
197.12857	0.4
259.20480	0.5
272.95456	0.4
279.23215	0.9
296.25809	0.5
333.24097	0.6
431.31323	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	431.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05274	0.2
51.89023	0.2
57.23851	0.3
66.73272	0.3
67.05502	1.5
69.03377	0.3
69.07063	0.5
69.39343	0.3
71.08625	0.7
77.08839	0.3
81.07069	3.8
83.08614	0.7
84.14790	0.3
93.07030	0.6
95.08616	3.3
97.10155	0.5
98.83432	0.3
99.08109	1.9
107.08574	0.4
109.10173	2.1
121.10150	1.2
123.11749	0.4
125.09637	1.6
135.11636	1.2
136.06192	100.0
137.13324	0.3
147.11742	0.4
152.14398	0.4
153.12726	0.5
163.14789	0.4
261.22205	0.3
269.02573	0.3
269.17441	0.6
279.23260	1.8
296.25940	1.4
431.31317	46.1
447.63733	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	431.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09389	0.2
55.05498	0.2
57.07085	2.1
57.88727	0.2
66.15533	0.2
67.05505	1.7
69.07060	0.5
71.08620	1.8
79.05509	0.5
81.07065	2.1
83.08630	1.5
93.07070	0.9
95.08593	1.8
97.10167	1.1
106.30458	0.3
106.49931	0.2
107.08591	0.5
109.10166	0.4
121.10143	2.0
121.23441	0.2
123.08079	0.3
123.11659	0.5
124.11193	0.3
125.09637	0.3
131.51993	0.2
135.11696	0.5
136.06187	100.0
139.11134	0.4
141.12770	1.8
142.12384	0.2
149.13245	0.4
167.14293	0.4
169.15794	0.5
170.11722	0.3
183.13797	1.2
214.14362	2.8
233.22614	0.3
277.41910	0.3
279.23138	0.3
296.25702	1.4
431.31119	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	431.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	0.3
56.00774	0.3
56.98756	0.2
57.07093	2.4
57.29337	0.2
67.05509	1.6
69.07077	1.2
79.05497	0.4
81.07044	0.7
83.08640	0.6
84.52411	0.4
91.05460	0.4
92.21516	0.6
92.28676	0.3
93.07050	0.6
95.08611	1.6
102.11549	0.4
106.13887	0.3
107.08601	0.6
108.55605	0.3
109.10163	2.0
119.08588	0.5
121.10210	0.5
123.11750	0.6
125.09664	0.4
127.11205	1.2
135.08110	0.4
135.11690	1.5
136.06197	100.0
149.09645	0.4
149.13356	0.4
153.12772	1.8
169.12267	0.5
279.23175	1.2
296.25873	0.6
431.31339	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	432.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26599	0.4
58.14198	0.5
65.80312	0.4
65.85867	0.5
68.66029	0.7
92.20947	0.7
161.17664	0.5
244.69907	0.5
290.08078	8.2
302.08051	1.1
304.06067	7.5
311.00693	0.5
318.07611	9.2
319.08386	48.8
334.10730	100.0
432.14410	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	432.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77253	0.4
51.14057	0.4
58.47059	0.5
73.65094	0.5
129.60745	0.5
143.03629	0.5
156.16542	0.5
179.35196	0.7
180.18890	0.6
182.34634	0.5
202.08148	0.7
236.07036	0.6
259.11188	0.5
274.76364	0.7
290.08112	8.3
302.08154	2.9
304.05951	7.2
318.07626	10.0
319.08389	50.6
334.10736	100.0
425.79956	0.7
432.14435	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	432.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26599	0.4
58.14198	0.5
65.80312	0.4
65.85867	0.5
68.66029	0.7
92.20947	0.7
161.17664	0.5
244.69907	0.5
290.08078	8.2
302.08051	1.1
304.06067	7.5
311.00693	0.5
318.07611	9.2
319.08386	48.8
334.10730	100.0
432.14410	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	432.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
62.30626	0.2
86.00191	0.2
92.21135	0.2
131.10754	0.2
148.48087	0.2
157.40909	0.2
160.71379	0.2
248.53630	0.2
276.06458	0.5
290.08148	6.3
302.08163	1.8
304.06042	6.2
318.07605	8.9
319.08408	43.8
334.10739	100.0
404.14844	0.3
432.14438	59.5
433.23093	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	432.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19457	0.4
60.51292	0.4
71.28291	0.5
125.90882	0.4
129.85379	0.4
141.75822	0.4
179.29863	0.5
227.94261	0.6
258.74146	0.5
290.08060	6.4
302.08038	1.0
304.05966	8.1
318.07611	7.3
319.08395	41.9
334.10730	100.0
432.14407	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	432.144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37872	0.4
65.90961	0.5
84.80342	0.5
145.92993	0.5
167.40184	0.5
271.15717	0.5
290.08102	6.3
302.08093	2.1
304.06067	7.1
318.07623	8.7
319.08401	45.5
334.10736	100.0
432.14444	62.0
432.23154	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	432.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77253	0.4
51.14057	0.4
58.47059	0.5
73.65094	0.5
129.60745	0.5
143.03629	0.5
156.16542	0.5
179.35196	0.7
180.18890	0.6
182.34634	0.5
202.08148	0.7
236.07036	0.6
259.11188	0.5
274.76364	0.7
290.08112	8.3
302.08154	2.9
304.05951	7.2
318.07626	10.0
319.08389	50.6
334.10736	100.0
425.79956	0.7
432.14435	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	432.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20232	0.3
57.35677	0.3
57.75249	0.3
57.76921	0.3
60.99477	0.3
66.32040	0.3
66.94590	0.3
82.68271	0.4
107.08550	0.4
112.68842	0.3
119.08553	1.8
126.56670	0.4
135.08063	0.7
151.81256	0.4
166.01010	0.4
244.86555	0.4
292.09778	1.6
320.09183	100.0
360.12387	1.5
409.10104	0.4
432.18085	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	432.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.9
68.32394	0.9
69.03426	9.6
75.42133	1.1
76.48798	1.0
81.03415	4.5
85.02908	69.2
86.09704	8.1
87.10047	2.1
91.05483	24.5
97.02897	24.4
99.04451	17.2
103.03950	83.4
109.02883	13.8
110.86039	1.0
116.65044	0.9
127.03915	100.0
145.04959	34.4
151.96368	1.0
159.11237	2.0
163.06021	26.5
181.29558	1.2
205.07071	15.1
235.09618	1.6
239.48390	1.2
271.08170	4.8
289.09164	16.0
302.78778	1.1
307.10217	46.7
351.13214	1.1
397.15128	2.1
429.53366	1.0
430.57080	1.3
432.24203	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	432.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.7
54.82287	1.3
55.21745	1.2
57.61248	1.2
69.03432	11.5
70.06580	2.0
70.55493	1.1
71.04985	3.1
72.08174	2.5
73.02916	1.7
75.26924	1.2
81.03413	15.0
85.02911	62.9
86.09739	4.9
91.03949	1.5
91.05479	28.1
97.02896	21.9
99.04465	21.7
103.03949	82.0
106.23411	1.5
109.02880	11.0
127.03916	100.0
129.10097	1.5
142.25621	1.4
145.04974	49.2
163.06013	55.0
187.06020	1.9
200.02687	1.4
271.08105	6.3
289.09146	13.2
307.10178	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	432.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73287	1.0
55.05503	1.1
55.13044	0.9
55.99628	0.9
57.69510	0.9
60.42517	1.1
69.03422	6.3
70.16231	1.0
83.04967	2.2
85.02888	1.7
85.63498	0.9
91.05477	1.9
97.47685	1.0
107.08601	15.9
107.77474	1.1
111.04447	1.5
112.89497	1.0
119.08573	100.0
129.05484	2.4
133.06465	1.8
135.08046	33.7
145.89169	1.2
168.10207	4.5
169.10579	1.3
170.08997	1.1
175.23151	0.9
186.11279	1.2
215.12804	1.9
281.13760	4.5
363.10825	1.3
415.21130	12.8
432.34970	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	432.238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94300	0.8
54.57333	0.9
62.21015	0.9
69.03435	8.3
73.22137	1.4
75.38147	0.9
77.72502	0.9
81.03433	1.3
83.04987	1.4
85.02880	1.4
91.05480	2.0
96.19120	1.1
100.95750	1.0
107.08591	21.9
111.04453	4.1
119.08581	100.0
129.05502	4.0
135.08051	30.3
153.41444	1.2
155.07164	1.1
179.50536	1.1
252.37534	1.1
281.13751	2.6
294.46097	1.2
349.16782	1.6
415.20999	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	432.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72396	0.5
55.01892	0.6
57.03460	2.3
58.06608	0.6
61.02922	1.0
69.03438	14.5
75.79787	0.5
81.03417	1.0
83.05000	4.5
85.02919	4.5
87.04433	1.3
87.70778	0.6
87.79438	0.6
91.05491	3.4
93.07048	4.0
103.03971	0.7
103.05467	0.8
105.07042	50.3
107.08595	21.0
109.10206	0.6
111.04469	5.2
119.04936	1.2
119.08585	100.0
121.06501	17.0
127.03901	0.7
129.05499	6.9
133.06502	14.2
134.06805	6.5
135.08060	35.4
136.06233	1.0
137.05975	1.4
147.06514	2.8
168.99159	0.7
173.94727	0.6
177.90878	0.7
267.12253	4.4
281.13800	3.6
306.23141	0.7
351.21603	1.6
387.17950	10.4
398.78452	0.7
415.21289	9.8
418.45709	0.7
432.31287	0.9
457.17249	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	432.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30164	0.7
56.95134	0.8
64.21454	0.8
69.03433	9.7
71.04012	0.9
72.07623	0.8
78.67415	0.9
79.05497	1.5
81.03423	1.7
83.04970	3.7
85.02908	3.9
87.04477	1.4
93.07033	6.5
96.23567	0.9
105.07031	100.0
111.04447	1.5
116.54272	0.8
119.04986	3.7
121.06498	28.7
126.30061	1.0
129.05449	4.7
136.06189	5.1
147.06506	2.1
189.76093	1.1
190.95520	0.9
209.65036	1.0
242.34233	0.8
248.15292	1.1
260.96503	0.9
267.12234	7.5
279.32687	1.1
337.15567	1.2
340.62067	1.3
387.17996	23.0
432.23599	5.2
432.31003	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	432.28
Annotation	Unknow
Peak:m/z	Relative Intensity
66.50685	1.3
69.03416	1.6
70.06582	2.7
72.08159	2.6
73.06541	1.6
83.43773	1.2
86.09711	19.6
87.04470	3.2
87.10030	6.2
89.06029	100.0
102.05547	1.6
110.32240	1.4
127.47969	2.1
133.08595	40.6
140.30798	1.5
147.04340	2.6
177.11238	10.1
181.60178	1.4
327.20023	1.7
415.25330	63.6
432.27750	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	432.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50400	0.1
53.18385	0.2
55.01886	0.2
55.05515	1.0
55.39598	0.2
57.07072	0.3
67.05501	1.0
69.07068	1.2
79.05482	0.2
81.07053	1.4
83.08629	1.3
90.27412	0.2
93.07030	1.0
95.08597	1.6
97.06477	0.2
97.10176	2.1
107.08596	1.1
109.10155	0.5
117.07056	0.2
119.03537	0.2
119.08553	0.3
121.10175	0.3
125.09650	1.6
126.04740	0.2
135.11688	1.0
136.06192	100.0
137.05988	1.9
137.13367	0.2
149.13284	0.3
153.12758	1.5
213.78406	0.2
243.15671	0.2
260.28647	0.2
266.13684	0.2
277.18030	1.2
279.23044	0.3
317.90179	0.2
339.00504	0.3
351.21655	4.1
381.69113	0.2
383.24478	0.4
414.28693	0.5
432.29681	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	432.332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	34.1
57.03464	6.4
61.90281	7.2
67.05511	69.5
69.07069	44.2
71.08635	100.0
79.05486	41.8
80.79623	6.3
81.07073	63.6
83.04981	31.6
83.08624	49.1
85.06538	14.6
91.05466	35.8
93.07043	64.6
95.04936	7.1
95.08607	78.0
97.06557	40.2
97.10159	32.9
99.04411	12.6
99.08109	77.3
105.07022	24.8
107.08595	40.2
109.10152	32.0
110.63733	6.7
113.00014	71.0
116.53734	6.6
119.08590	35.6
121.10152	12.5
125.09615	9.2
133.10141	18.0
135.11716	10.8
137.09631	9.0
139.11195	39.7
148.57025	7.1
151.11165	42.7
161.13271	16.2
163.11238	14.9
169.02640	61.3
170.02956	9.2
173.11783	10.8
179.14291	48.2
187.09642	61.5
189.11292	13.2
195.13858	16.4
213.14888	12.1
277.21585	71.4
295.22711	71.1
432.33240	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	432.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00319	7.2
55.05520	55.7
57.03425	13.6
57.37420	7.1
60.42184	5.4
63.17887	6.3
65.59676	6.6
67.05512	95.0
69.03415	14.0
69.07066	42.0
71.04983	7.1
71.08636	100.0
79.05502	51.5
81.07056	88.5
83.04984	34.4
83.08616	45.5
85.06535	16.2
88.07584	6.5
91.05476	34.6
93.07030	69.1
93.65549	8.0
95.08598	81.0
97.06554	16.1
97.10155	39.8
99.08098	85.3
105.07049	14.9
107.08594	36.1
109.10161	31.2
111.08112	6.4
112.99998	44.9
113.05976	8.8
115.07574	27.0
119.08570	51.9
119.31950	7.0
121.10133	14.6
121.91467	6.8
125.09633	16.1
127.07561	8.0
133.10086	29.2
135.08095	6.5
135.11668	12.2
139.11169	60.5
147.11713	10.1
149.13237	14.7
151.11218	53.6
159.11642	12.6
160.26015	7.1
161.13231	34.7
163.11234	25.9
165.12706	7.9
169.02570	36.9
170.02995	10.0
173.11659	7.5
179.14313	42.8
187.09666	45.4
189.11206	28.6
193.12283	7.1
195.13802	27.2
213.14822	39.3
255.89172	8.4
264.24261	7.6
275.19983	7.1
277.21530	76.9
289.05380	6.7
293.20926	11.4
295.22839	49.7
346.27444	7.3
349.16916	7.0
398.81525	7.4
403.90155	7.2
432.21835	9.8
432.32431	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	433.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	0.2
69.07024	0.2
70.06593	0.3
77.08337	0.2
86.09715	0.4
92.20903	0.2
95.08591	0.3
121.10171	0.2
142.91487	0.2
147.58429	0.3
153.01787	0.3
225.36964	0.3
268.20618	0.2
271.06003	100.0
276.67368	0.2
433.11206	3.8
433.30963	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	433.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34563	0.2
57.03433	1.3
61.01811	0.2
67.45016	0.2
69.03432	5.2
70.27206	0.3
76.00534	0.2
85.02908	2.0
87.04465	3.0
90.83955	0.3
95.08612	0.4
97.02901	2.1
115.03913	1.6
121.02853	0.5
133.04936	1.1
154.44507	0.3
155.37196	0.3
167.03374	0.5
177.75946	0.3
192.25801	0.3
213.88739	0.2
271.18994	0.3
286.04675	1.1
301.07050	100.0
313.06921	2.1
343.08032	1.5
385.08759	0.3
397.09094	0.5
433.11111	0.6
433.31061	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47596	0.2
53.34751	0.2
58.58421	0.2
60.73798	0.2
61.02910	0.3
69.03429	1.5
71.05011	0.3
73.02914	0.4
81.03439	2.0
83.92324	0.2
85.02915	6.3
89.16700	0.2
94.07871	0.3
96.23845	0.2
97.02899	3.8
99.04458	4.4
103.03945	5.5
109.02888	2.7
124.13401	0.3
127.03918	100.0
137.70674	0.3
141.46385	0.2
145.04968	3.2
163.06079	0.3
187.06067	0.5
193.36523	0.2
271.07956	0.6
433.13419	2.5
453.79135	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	433.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47454	0.2
52.23598	0.2
55.05494	0.3
56.05030	0.7
57.96584	0.2
60.04523	0.4
60.05639	0.5
61.95420	0.3
67.56549	0.2
69.03429	1.6
69.07061	0.3
70.06598	2.3
72.04516	0.6
72.08157	7.1
74.02460	0.9
74.06089	2.5
76.05117	0.3
81.03429	0.6
83.06074	0.3
84.04511	2.1
84.08150	2.1
85.02911	5.8
86.09706	12.4
88.04036	0.3
97.02898	3.0
99.04467	2.4
100.07612	0.5
101.07123	0.4
102.05547	2.5
102.06667	0.3
103.03948	3.4
109.02859	1.1
110.07173	1.7
112.05079	0.3
114.06655	0.4
116.07063	0.3
116.08221	0.5
120.06556	0.3
120.08086	1.0
127.03913	100.0
129.10246	1.4
132.10213	1.9
133.99580	0.3
136.07603	0.3
140.07072	0.3
142.08678	0.3
142.12224	0.3
143.08206	0.3
145.04961	1.6
145.09746	1.2
146.05606	0.3
152.10658	0.3
155.08163	1.3
156.07655	0.4
156.11363	0.3
160.07166	0.4
163.05988	0.6
170.09196	0.4
172.07155	0.5
172.13297	1.1
173.09200	0.5
173.12845	1.5
176.64340	0.3
177.09764	0.3
186.08716	2.4
187.10826	2.6
197.12816	1.9
201.12431	1.8
205.07027	0.3
207.09714	0.4
215.10300	0.6
215.13914	0.5
219.13362	1.9
226.15628	0.3
227.17439	0.3
228.13370	0.9
242.15051	0.5
243.13437	1.6
254.14806	0.4
256.16498	2.1
261.14432	1.0
272.16071	1.8
284.12454	1.1
289.09238	0.4
296.16022	0.3
296.19592	0.3
298.17621	1.6
302.13309	1.4
307.10559	0.3
314.16895	2.1
316.18625	1.2
328.18527	1.0
332.18176	9.1
373.25638	0.3
388.20828	1.3
400.57263	0.3
415.21622	1.1
433.22830	26.6
436.47888	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	433.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96516	0.9
55.05500	1.1
67.05508	1.6
69.03415	1.3
70.06595	62.3
71.51758	1.1
72.08170	10.7
73.28155	1.1
76.37249	1.1
85.02908	1.9
86.09715	5.2
86.79185	1.1
93.07014	1.4
109.10162	1.7
113.09783	1.1
120.08100	17.9
121.10211	2.1
125.09679	1.1
127.03906	2.5
133.10156	1.5
169.13365	24.6
189.12425	5.2
197.12874	2.7
205.09749	1.4
217.13388	8.2
237.02905	1.5
245.12866	5.0
286.17755	4.5
302.15210	1.6
307.10568	6.8
344.19644	5.1
349.11591	2.5
376.99551	1.2
391.12640	1.4
401.65082	1.3
428.49576	1.3
433.14722	100.0
433.24365	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	433.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47070	0.9
69.03406	1.3
85.02902	1.9
92.21225	1.4
98.97600	4.9
100.49529	0.9
127.03863	1.5
150.09996	1.4
158.99634	2.4
170.99652	2.2
201.53000	1.0
219.01826	2.2
237.02837	4.8
243.63937	1.0
313.07123	1.4
319.10675	4.1
401.13556	4.0
423.49191	1.1
433.14676	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	433.168
Annotation	Unknow
Peak:m/z	Relative Intensity
72.37093	0.4
77.83846	0.4
86.09708	2.0
98.91553	0.4
119.86205	0.5
132.84613	0.4
146.56268	0.5
169.13472	0.6
179.19119	0.5
187.08415	0.5
195.45757	0.4
276.55481	0.4
289.12537	4.3
371.16815	10.6
373.14737	6.6
404.07864	0.5
407.70999	0.5
415.15872	0.6
433.16791	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06371	0.4
58.23374	0.5
61.19169	0.5
66.82471	0.5
69.03435	0.4
91.05486	3.8
107.08593	1.2
109.10133	0.7
112.60413	0.5
113.00007	1.0
117.07002	1.0
119.08581	100.0
133.06377	0.6
154.12277	4.8
169.02592	1.0
171.14948	1.1
184.27780	0.6
269.99521	0.5
307.37234	0.5
351.14548	1.3
376.49860	0.7
433.17542	4.2
433.23547	2.2
433.37720	1.1
443.52786	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35836	0.4
52.81973	0.4
52.94033	0.4
53.03963	0.4
55.05516	1.8
55.23396	0.5
56.21270	0.4
57.03446	3.9
57.07078	0.6
67.05503	2.1
69.07081	3.8
70.93333	0.4
71.08652	0.5
72.39342	0.5
79.05469	0.5
81.07059	3.6
83.08606	3.0
93.07054	1.7
95.08614	5.0
97.10152	1.1
101.97324	0.4
107.08594	0.8
113.00020	80.7
115.05048	0.4
121.10153	2.0
135.11728	1.0
139.01604	0.6
164.04344	0.4
169.02606	100.0
212.26842	0.5
265.25204	2.8
419.36569	0.5
433.21951	3.2
433.27237	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	433.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59880	0.8
73.79922	1.0
95.08592	1.2
105.07051	1.4
109.10207	1.1
121.23818	0.9
130.96803	1.0
143.40173	1.0
174.88632	1.0
176.72589	1.0
194.55743	1.0
208.30368	0.9
370.35129	1.1
433.30377	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	29.8
57.03465	3.1
57.77123	2.6
59.04729	3.5
59.05009	65.2
64.09953	2.6
64.89046	2.9
66.59377	2.6
67.05495	14.2
69.07061	7.4
73.18518	2.6
76.37746	3.1
79.05471	11.4
81.07063	16.6
83.08659	3.1
85.06069	5.8
85.06551	100.0
85.10014	2.7
88.13372	3.1
91.05495	25.6
93.07032	30.8
95.04976	4.3
95.08601	25.3
99.08080	4.9
105.07018	34.0
107.08606	26.7
109.06522	6.0
109.10167	18.4
111.08073	15.5
117.07019	5.6
119.08576	58.4
120.07334	3.3
121.10154	23.2
123.08038	6.8
125.09633	32.8
128.06204	4.2
129.07082	4.0
131.08563	22.0
133.10094	27.8
135.08072	3.6
135.11685	7.0
137.09627	34.5
142.07771	5.7
143.08591	23.5
144.09299	3.7
145.10123	30.3
147.11685	6.1
147.50414	2.9
149.09648	12.8
151.11168	26.3
154.12277	14.9
156.09389	4.3
157.10138	37.4
159.11687	17.8
161.09703	4.3
163.11336	3.8
169.10100	7.1
171.11661	19.2
173.09660	3.8
173.13257	3.8
183.11679	12.5
185.13217	6.1
193.10085	3.4
195.11661	6.9
197.13144	5.8
201.12782	3.7
203.14185	8.7
207.11641	5.8
209.13194	14.1
223.14795	4.2
261.16660	3.2
261.67905	3.3
266.83551	3.3
283.26364	4.6
296.74890	3.4
303.24863	11.9
341.24692	11.8
433.30511	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	433.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
55.05527	22.2
57.57447	1.8
59.04762	2.5
59.05012	44.5
64.30550	1.8
67.05507	4.8
69.03440	1.9
69.07076	2.9
78.81779	2.1
79.05483	9.0
81.07065	9.1
83.05006	2.7
83.08594	2.9
85.06550	100.0
91.05483	21.0
93.07049	26.7
95.04931	2.3
95.08608	18.4
98.95123	1.7
99.08085	3.2
105.07033	24.0
107.08594	16.9
109.06504	7.4
109.10159	19.0
111.08063	11.6
112.02332	1.8
117.07013	12.9
119.08582	58.0
121.10139	22.6
123.08012	4.0
125.09627	25.1
129.06984	3.5
130.07762	2.2
130.76172	2.1
131.08546	17.3
133.10146	19.5
135.08073	3.5
135.11684	9.7
137.09619	24.6
142.07799	9.1
142.32080	2.2
143.08508	14.9
145.10114	33.2
147.07976	2.3
147.11700	9.2
149.09579	9.2
151.11172	25.7
154.12265	14.9
155.08574	2.5
156.09308	7.9
157.10117	20.8
159.11737	9.5
161.09561	2.9
161.13304	2.8
163.11206	8.9
168.09367	2.1
169.10095	12.3
171.11694	20.1
171.14890	2.8
173.09613	2.8
173.13228	3.2
173.95000	2.3
175.11165	4.7
179.08533	3.0
181.10022	2.3
183.11714	16.7
185.13252	4.0
189.12872	6.9
193.10231	2.8
194.10960	4.1
195.11714	7.6
197.13271	3.9
203.14268	4.6
209.13295	7.9
211.14781	3.5
215.14339	2.6
221.13190	5.0
223.14781	4.3
225.16377	2.7
235.14793	2.5
263.17868	3.4
265.19543	4.3
275.20197	2.6
341.24698	8.8
415.30130	2.5
433.30948	22.3
433.36963	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	433.31
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62127	0.7
55.05515	2.0
62.62361	0.9
67.05512	12.1
69.03431	2.1
69.07069	3.7
71.12715	0.8
79.05505	4.9
81.07065	10.4
85.02908	20.6
91.05476	4.0
93.07047	15.3
95.08611	38.5
105.07036	8.8
107.08591	13.2
108.69993	0.9
109.10152	6.7
110.81634	0.8
117.07043	1.8
119.08575	18.5
121.06514	1.0
121.10140	12.7
121.29731	1.0
123.08071	12.8
123.11729	4.2
125.09629	3.7
129.07004	1.9
131.08594	6.9
131.21736	0.9
133.10123	11.7
135.11696	5.1
137.13319	1.0
139.07539	1.1
141.09120	18.9
143.08521	7.3
145.10123	19.3
147.11693	7.7
149.13275	7.8
155.08534	5.5
157.10121	10.6
159.11742	9.1
161.13258	4.6
163.14824	1.4
169.10138	7.7
171.11693	14.6
173.13260	7.7
175.14767	2.0
181.10048	2.2
183.11668	7.7
185.13286	9.2
187.14813	6.5
195.11714	5.6
195.53513	1.0
197.13246	7.2
199.14804	6.2
201.16376	1.4
207.11734	1.6
209.13295	4.3
211.14845	5.9
213.16354	1.5
221.13329	1.2
223.14859	4.4
225.16379	6.6
227.14262	1.2
232.72112	1.0
235.14803	2.2
237.16377	9.0
239.17961	1.9
249.16345	2.1
251.17906	4.1
253.19466	1.8
265.19583	1.3
275.17661	1.5
277.19498	3.6
289.19614	1.6
292.21811	1.7
293.22614	2.0
297.18564	1.9
331.53857	1.1
333.25912	1.9
397.28879	6.5
415.29904	22.4
433.31006	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.9
67.05508	12.8
69.03425	0.8
69.07079	5.9
75.75283	0.6
79.05500	3.1
79.13797	0.6
81.07055	13.5
83.04974	3.0
83.08633	2.9
91.05465	3.0
93.07022	5.1
95.04958	1.2
95.08599	9.5
97.06544	0.8
105.07031	9.7
107.08591	13.3
109.06540	3.2
109.10159	43.9
111.08090	0.9
116.19760	0.8
117.07000	0.9
119.08581	18.9
121.06519	1.4
121.10143	9.2
123.08087	1.5
123.11707	1.3
125.09570	0.9
129.06976	1.1
131.08528	5.8
133.06499	3.9
133.10132	12.3
135.08044	13.1
135.11667	2.6
137.09622	5.9
143.08574	4.7
145.10107	10.7
147.08089	3.0
147.11659	7.9
149.09637	6.6
149.13280	3.5
155.08658	0.8
156.09421	0.9
157.10095	7.0
159.08064	3.2
159.11691	7.8
161.09622	6.3
161.13216	5.6
163.11179	1.1
169.10094	2.5
171.11670	5.6
173.09654	3.7
173.13191	7.0
175.11185	3.5
175.14806	18.7
177.12793	0.9
183.11690	1.6
185.09686	3.3
185.13257	10.9
187.11209	3.1
187.14790	5.2
189.12764	1.5
189.16362	1.6
195.11737	1.3
197.13206	1.3
199.11259	2.5
199.13107	0.7
199.14867	4.7
201.12772	3.6
201.16406	1.1
203.14359	5.1
209.13197	1.7
211.14809	3.0
213.12790	0.9
213.16409	3.5
215.14299	10.7
217.15910	1.2
223.14728	1.2
225.16391	1.6
227.14330	3.5
227.17862	1.1
229.15836	1.3
231.17476	2.8
237.16412	1.3
239.14351	1.1
241.15945	1.4
243.17464	0.9
253.15845	1.4
255.17352	2.9
267.20978	0.9
277.19638	0.8
279.17371	0.8
279.21179	1.1
295.20547	1.4
307.20642	3.0
333.22211	0.8
351.23074	1.6
359.23514	0.9
377.24692	1.6
399.67105	0.8
409.19617	0.7
415.29926	11.0
433.31012	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	433.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87683	0.9
55.05507	1.2
58.80003	0.9
66.97039	1.0
67.05517	8.3
69.07063	5.8
75.00315	1.0
81.07066	9.1
83.08620	1.0
92.21584	1.2
93.07049	5.1
94.21947	1.0
95.08604	6.6
105.07040	4.1
107.08588	8.7
109.06550	1.3
109.10165	34.4
110.35429	1.3
119.08578	6.5
121.10139	5.4
131.08592	2.7
133.06502	2.7
133.10120	9.4
135.08037	7.5
135.11696	1.8
137.09650	4.6
143.08611	1.8
145.10110	10.4
147.08072	1.8
147.11713	4.6
149.09624	2.7
149.13298	1.4
157.10139	6.3
159.08047	2.0
159.11757	3.8
161.09740	1.5
161.13347	1.6
171.11737	4.7
171.83398	1.2
173.13187	2.2
175.11227	2.4
175.14819	13.5
182.18095	1.1
183.11731	1.4
185.09718	1.3
185.13150	8.2
187.11194	1.9
187.14833	2.1
189.12720	2.0
189.16368	1.3
197.13310	1.1
199.14886	1.8
201.12740	4.8
203.14326	6.2
213.12689	1.3
215.14368	12.6
220.84990	1.2
223.14908	1.4
227.14337	1.7
229.15881	2.1
261.05392	1.3
268.53494	1.2
415.29974	9.9
433.31018	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69380	0.9
63.28780	0.9
67.05510	11.9
69.07065	3.6
70.93596	0.9
79.05515	1.4
81.07062	11.2
81.30743	0.9
83.04990	1.2
91.05486	3.6
93.07049	4.2
95.08611	7.1
105.03323	1.0
105.07040	6.9
107.08593	7.4
109.06488	0.9
109.10159	54.5
119.08575	11.0
121.10146	4.3
131.08572	5.6
133.06494	7.1
133.10139	7.5
135.08119	1.4
135.11746	1.5
145.10132	14.3
147.08102	2.1
147.11707	4.6
149.09685	1.2
149.13277	1.4
157.06406	1.3
157.10155	4.1
159.08017	6.8
159.11661	7.7
161.09657	1.3
161.13283	1.3
169.10133	4.0
171.11777	2.1
172.08884	1.6
173.09660	8.5
173.13301	1.9
175.14845	9.2
183.11713	3.3
185.13280	5.8
187.11166	3.6
187.14838	8.2
195.11732	1.5
197.13321	4.7
199.14832	1.6
201.12833	3.4
201.16388	3.3
203.14311	3.8
209.13324	1.2
211.14664	2.7
213.16411	1.6
215.14322	50.7
221.13252	1.1
227.18233	1.0
229.15862	1.1
239.17769	1.0
269.28357	1.1
278.18307	1.0
391.26590	1.5
407.03088	1.0
415.29648	6.8
433.31039	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
91.69643	0.3
114.09153	0.5
122.73695	0.4
134.40009	0.4
143.93449	0.4
147.72156	0.4
191.13823	0.4
292.09634	8.3
304.09665	1.4
306.07578	2.6
320.09174	12.1
321.09943	28.2
335.11493	0.8
336.12271	100.0
434.15976	30.3
434.31384	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	434.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05453	0.5
91.47743	0.4
95.08529	0.4
95.27557	0.4
95.48162	0.5
105.06974	0.5
106.10825	0.4
109.16273	0.5
114.52895	0.4
116.70109	0.5
125.85110	0.5
130.78485	0.5
150.13484	0.4
161.47368	0.4
184.70807	0.5
232.19916	0.4
292.09570	1.9
308.12579	0.5
309.07562	0.7
316.59592	0.5
320.09158	8.1
321.09998	4.0
330.01950	0.7
336.12283	100.0
338.73523	0.4
345.04337	1.0
351.31467	0.4
372.80164	0.5
434.09854	1.0
434.16031	32.3
434.33484	1.0
435.92279	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	434.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05522	0.8
69.07052	0.3
78.62460	0.3
81.07087	0.4
85.07365	0.3
87.91855	0.3
88.04002	1.2
93.07053	0.6
95.08611	0.4
109.10165	1.7
116.03416	0.4
132.34203	0.4
137.09637	0.7
157.00348	0.3
175.11240	0.4
196.13361	2.2
197.84058	0.3
200.31270	0.3
214.14357	0.7
242.13782	0.6
260.14899	6.9
292.09625	2.3
310.51880	0.4
320.09177	8.0
321.09940	4.1
336.12292	100.0
384.05054	0.4
434.15933	30.5
434.27121	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	434.16
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49895	0.3
67.57500	0.3
74.85791	0.3
82.23027	0.3
91.18694	0.3
114.09155	0.7
130.77791	0.3
202.23373	0.4
245.21577	0.3
292.09674	9.3
297.75381	0.4
303.08594	0.4
304.09622	1.7
306.07651	3.2
320.09177	11.2
321.09952	28.3
336.12305	100.0
434.16006	32.7
434.31699	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	434.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00324	0.1
53.21245	0.1
57.03392	0.1
57.25668	0.1
65.03056	0.1
66.01410	0.1
79.05412	0.1
81.03420	0.2
81.07003	0.2
81.77120	0.1
92.37121	0.1
92.53154	0.1
93.07032	0.2
109.06470	0.2
109.10108	0.1
114.09107	0.2
131.73901	0.2
152.98843	0.1
175.58209	0.1
214.14502	0.2
289.17899	0.2
291.09012	0.2
292.09671	2.2
293.10349	0.3
308.12692	1.2
320.09152	7.2
321.09946	4.8
334.10696	0.3
336.12289	100.0
434.16003	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	434.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
76.88634	0.5
81.03408	0.8
86.92022	0.6
90.89561	0.6
106.14701	0.6
112.40865	0.5
114.09193	1.2
131.59715	0.7
150.30569	0.6
183.18529	0.6
192.20357	0.6
210.04689	0.6
254.99602	0.6
292.09698	8.7
304.09769	0.7
306.07602	4.0
320.09152	10.0
321.09958	26.9
336.12280	100.0
434.15952	32.4
434.22134	1.1
440.61667	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95626	0.2
56.09748	0.2
61.46939	0.2
70.06609	0.4
72.08138	0.2
79.05518	0.2
85.02924	0.4
86.03164	0.2
86.09688	1.0
91.05441	0.2
104.88769	0.2
107.04946	1.3
108.05733	0.4
120.08103	0.4
126.05534	0.3
135.04410	0.3
136.05205	0.3
137.05971	0.5
140.83290	0.2
151.07544	100.0
434.16711	0.5
445.94730	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	434.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.8
66.24921	1.0
67.05503	4.8
69.07074	4.7
76.05135	1.5
79.05488	5.6
81.03412	1.6
81.07057	7.3
83.04970	1.4
83.08624	2.0
91.05487	2.5
92.21634	1.0
93.07030	6.9
95.04967	2.3
95.08605	2.4
97.06522	5.4
105.07027	4.8
107.04902	4.8
107.08597	5.4
108.05603	2.5
109.10172	1.4
111.04481	1.6
111.08085	1.3
115.07607	1.7
117.07015	1.3
119.08552	4.6
121.03975	1.2
121.06522	1.5
121.10143	4.4
123.08085	1.3
131.08583	2.1
133.06485	2.1
133.10118	1.9
136.05084	1.2
136.06178	1.6
145.07642	4.3
145.10162	1.3
147.11737	1.6
150.45628	1.2
159.11752	1.6
161.09598	1.6
162.02989	2.1
162.05354	6.4
163.06117	5.9
163.11215	2.1
165.09297	1.3
178.07158	1.4
203.08023	4.2
214.12297	8.7
232.08376	1.3
234.08990	4.1
261.07669	43.5
262.08490	10.8
263.09198	15.8
264.10025	5.2
277.07172	7.6
278.10312	12.1
280.08237	4.9
285.17032	1.2
289.07190	90.4
289.17926	2.2
290.07773	14.3
290.10104	2.7
292.09637	5.3
294.07458	1.5
306.09790	12.4
307.08197	5.5
307.18777	1.3
318.07373	18.4
319.08310	1.5
320.09048	4.1
321.10110	2.3
333.08392	1.3
334.09323	54.5
335.10165	11.1
336.12265	27.8
360.14368	1.4
365.23157	4.5
366.11813	2.1
372.75604	1.1
383.24115	1.5
386.16043	5.1
399.23703	1.4
402.13513	5.2
403.16367	100.0
404.17035	2.4
421.05545	1.5
434.18579	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	434.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.0
57.03436	2.5
61.02938	3.8
69.03442	5.3
73.02922	21.3
74.06058	0.5
76.05140	3.8
79.05505	1.0
79.22874	0.4
81.03399	0.7
85.02434	0.8
85.02913	18.7
86.09710	0.6
91.03926	0.6
91.05482	2.0
95.04986	0.7
97.02893	11.5
99.04488	0.6
103.03984	0.9
103.05453	0.7
105.07037	100.0
109.02863	0.9
115.03922	7.5
117.07015	0.9
119.04955	1.9
127.03939	6.9
129.06967	0.9
133.04953	7.2
134.78961	0.5
137.05994	0.8
141.07074	0.6
145.04976	7.2
145.06526	1.1
146.11761	0.5
147.04408	0.9
147.08041	0.9
150.07709	0.6
151.03963	0.6
151.07555	1.0
163.06003	3.9
171.08049	0.9
175.07617	0.6
179.07047	0.8
183.08087	0.8
193.08586	0.6
205.08522	0.6
219.10133	2.6
223.06000	0.8
231.10278	0.5
237.11261	0.6
241.07118	1.0
249.11110	0.5
259.08105	5.0
277.09189	2.0
295.10233	10.8
434.20071	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	434.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86861	1.4
56.05035	1.6
57.03439	16.3
59.04974	2.3
60.04518	3.5
64.75840	1.7
69.03433	60.8
69.07053	1.9
70.06584	7.3
72.08150	9.5
73.02903	3.3
74.06075	2.7
76.05116	1.7
76.90314	1.4
81.03428	2.6
84.08158	2.5
85.02906	71.6
86.09713	38.1
87.04472	72.2
91.03977	2.5
96.25505	1.9
97.02890	75.1
98.89154	1.7
99.04497	2.6
109.10099	2.1
110.07162	2.2
111.56261	2.1
115.03928	100.0
116.08221	2.7
117.48330	1.7
120.08151	2.0
127.03923	11.9
129.22713	1.8
130.08717	1.6
133.04968	89.7
145.04947	21.4
150.07610	11.7
157.42458	1.8
163.06001	7.4
195.42212	1.8
201.09108	2.7
220.70314	1.9
221.12834	1.9
255.12315	4.2
259.08093	10.8
277.09116	2.0
285.13342	11.2
295.10208	11.5
416.26288	3.1
434.27405	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	434.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98079	0.6
55.53643	0.9
57.03447	14.8
59.05003	5.1
59.10998	0.7
60.04514	0.8
61.02925	3.0
69.03432	62.8
71.04981	0.7
73.02911	6.4
75.04520	0.8
81.03406	3.6
85.02908	79.6
87.04469	66.9
89.61432	0.8
91.03950	5.0
97.02892	72.8
99.04442	4.1
99.34443	0.8
101.02366	0.7
103.03944	1.2
105.07043	20.4
105.84418	0.8
109.02856	5.6
111.04431	1.2
115.03926	100.0
127.03922	21.2
133.04967	77.3
133.06296	0.9
133.06558	1.4
139.59515	0.8
145.04959	25.5
146.47003	0.8
147.08032	3.2
149.98482	0.7
150.07594	13.3
162.35095	0.7
162.77626	0.8
163.05991	11.6
169.05026	1.4
171.07910	1.0
175.51181	0.8
180.17557	0.7
189.09048	1.5
199.57788	0.8
201.09065	3.0
219.10156	1.5
223.05965	2.7
241.06989	3.8
255.12244	6.0
259.08142	11.2
277.09250	4.1
285.13306	11.9
291.64404	0.8
295.10248	15.5
302.15936	1.5
434.19998	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	434.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20921	0.6
53.03946	0.8
55.01883	0.9
56.50454	0.6
57.03441	9.7
61.02935	1.1
69.03439	3.3
70.06583	1.0
72.08140	1.1
75.04469	6.3
75.59357	0.6
77.80326	0.6
81.03411	1.5
82.32275	0.7
85.02911	14.9
86.09714	1.0
87.00809	0.9
89.19083	0.7
91.36538	0.7
91.94092	0.6
93.07029	1.0
97.02891	5.6
99.04439	1.5
103.05473	10.8
105.01853	1.4
105.03387	0.9
107.49728	0.7
109.02872	1.5
109.06496	0.6
110.03681	0.8
119.04948	8.1
121.06517	5.2
123.04415	1.7
124.05265	0.8
127.03915	7.7
127.11789	0.6
131.04927	100.0
133.06500	1.5
135.08055	3.1
137.05980	19.6
138.06755	8.1
145.04951	2.6
147.04395	1.0
148.05208	10.1
149.05977	1.0
151.07544	11.0
159.03006	1.1
161.05945	3.7
163.07533	49.5
165.09117	0.9
166.06248	28.4
175.07564	2.6
179.07025	3.5
180.07834	1.1
181.08589	26.7
193.08612	2.6
201.09090	0.9
219.10153	3.0
228.56454	0.7
237.11195	17.0
255.12251	72.3
271.28766	0.7
277.10764	2.9
357.58533	0.7
381.11334	0.7
399.16501	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	434.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12606	0.8
55.05520	1.9
59.46538	0.8
61.02907	0.9
61.86237	0.9
69.03410	1.5
69.07062	3.8
71.04977	0.8
81.07063	7.7
83.08616	5.5
85.02905	10.7
85.06541	1.9
93.07043	4.4
95.08596	17.4
97.02888	1.2
97.10178	3.6
99.08080	6.9
107.07922	1.5
107.08595	20.0
109.10159	4.3
110.50626	0.8
110.85638	0.9
111.08101	1.5
115.45747	0.9
121.10139	37.6
127.03917	3.4
135.11710	9.7
137.13252	5.4
148.25294	1.0
149.13269	4.2
177.16379	100.0
195.17451	21.8
205.25471	0.9
207.62000	0.9
242.09647	1.0
250.70081	1.1
255.19531	11.1
265.77301	0.9
268.33759	1.2
336.12283	4.9
416.69086	1.1
434.19897	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	434.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68408	1.3
55.05515	1.5
57.07075	6.5
58.37358	1.3
64.76743	1.3
67.05524	1.4
69.03442	1.5
69.07049	1.7
79.05482	1.9
81.07059	7.4
83.04964	1.7
85.06537	2.6
88.07622	1.8
93.07050	10.4
95.04996	3.1
95.08627	2.8
105.07033	28.9
106.07867	1.4
107.08615	9.9
109.06529	21.2
119.08576	32.5
121.06482	1.3
121.10178	5.6
123.08069	7.3
129.06972	1.6
131.08585	8.5
132.80199	1.5
133.06541	1.4
133.10146	10.6
135.08031	10.5
137.09639	7.5
143.08649	10.0
145.10143	16.4
147.08058	19.1
148.08780	1.6
149.09607	8.1
151.07564	6.3
155.08565	6.7
156.09393	2.1
157.10146	11.9
159.08038	2.3
159.11655	13.1
161.09618	6.4
161.13237	1.6
163.11269	2.0
165.09106	29.3
169.10133	9.3
170.10796	1.6
171.11713	9.6
173.09596	5.6
173.13188	5.2
175.11235	7.8
177.09096	3.2
179.08794	2.0
181.10127	5.6
181.12254	3.0
183.11699	21.5
183.70142	1.6
185.13284	2.8
187.11194	7.8
189.12764	1.9
190.13603	2.7
191.10606	3.0
193.10220	2.3
193.12280	6.3
195.11731	8.9
196.12411	2.2
197.13283	5.4
199.11150	3.1
201.12730	3.0
203.14369	8.8
207.13802	2.0
208.14568	2.8
209.13356	2.5
211.11273	2.1
211.14774	10.7
213.12764	2.6
215.14331	1.8
219.13818	2.9
221.13336	2.6
221.15332	55.9
223.14882	2.1
225.12679	2.0
225.16362	5.5
226.33360	1.5
230.12944	2.9
233.15276	2.0
234.16129	6.4
239.14359	1.8
243.13910	2.4
247.16960	12.7
253.15953	2.2
254.16893	1.8
268.18146	2.5
271.16849	3.4
276.17105	1.7
281.19043	3.0
286.19363	9.6
287.19937	2.1
298.31082	1.7
299.20108	15.3
312.21146	1.5
313.21765	1.7
355.22580	20.3
391.26260	33.3
419.25864	2.5
434.28189	100.0
434.38391	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	434.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26163	5.2
55.05514	28.4
56.87698	4.8
57.03437	13.4
61.35085	5.4
67.05501	56.3
69.07060	11.4
70.86167	5.2
71.04980	10.8
79.05486	9.8
81.07064	29.3
83.08627	65.1
91.05486	13.0
93.07036	30.5
95.04951	10.5
95.08623	46.0
103.03932	9.0
105.07014	15.0
107.08590	14.5
109.06507	6.4
109.10165	79.4
116.43327	6.1
119.08572	10.1
131.08569	9.4
132.46954	6.2
133.10129	57.2
135.08133	7.8
135.11710	25.8
137.09653	25.0
145.12190	9.8
151.11177	10.4
155.10681	9.3
161.09700	9.8
173.11772	27.9
175.11299	6.5
193.12036	8.8
209.67798	6.7
229.14288	66.8
267.15976	10.6
271.15320	7.1
275.20056	7.1
285.16959	35.3
293.21133	12.8
299.18521	9.0
335.11288	7.9
348.08673	8.9
349.23581	25.5
362.10077	23.0
367.24799	78.5
370.19797	8.7
376.11758	10.4
399.27328	14.8
434.19644	100.0
434.29544	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	434.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40598	3.0
55.05516	5.2
55.90275	2.6
57.03441	5.8
67.05521	36.7
69.07079	15.1
71.04997	13.9
79.05502	19.5
80.30436	3.2
81.07063	39.5
83.08632	16.2
91.05476	20.3
93.07035	42.6
93.50228	3.3
95.08614	27.7
97.06534	8.1
97.10153	4.2
105.07021	19.2
107.08607	33.9
109.10164	17.7
111.08021	11.4
117.07018	7.5
117.90849	3.7
119.08578	18.8
121.10176	25.6
123.11658	3.6
125.09656	5.5
131.08568	12.9
133.10098	24.4
133.20123	3.2
135.08086	4.9
135.11713	7.0
145.10080	6.0
147.11664	7.4
149.13257	21.5
149.93813	3.2
155.10648	4.7
157.10249	5.1
159.11696	28.1
160.80045	3.4
161.13243	7.4
173.13301	6.2
177.12708	14.4
179.14314	7.4
195.13869	5.2
229.14340	27.6
269.17465	100.0
269.20224	5.6
275.20090	18.6
309.20599	26.6
349.23669	27.2
381.26321	15.9
434.31219	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	435.1268
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17712	0.5
61.62539	0.6
69.03450	0.7
70.06596	4.0
72.08142	0.9
81.03381	0.8
84.08166	0.6
85.02902	1.2
85.83586	0.5
86.09730	0.9
97.02921	1.0
98.97605	0.8
109.02886	0.7
127.03927	15.3
128.04225	6.3
129.04361	3.3
137.05940	0.8
201.04193	0.6
219.01782	1.4
233.25349	0.5
237.02838	3.5
291.07544	2.5
309.08621	3.5
333.08649	2.3
351.09692	2.5
402.84015	0.7
435.12646	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06665	0.1
59.37078	0.1
60.04539	1.2
60.05661	0.2
60.76905	0.1
63.39373	0.1
67.05534	0.2
69.07050	0.2
70.06602	3.5
71.04995	0.6
72.08143	0.3
72.84653	0.1
84.08148	0.3
85.02899	0.6
93.26425	0.1
95.06087	1.5
97.02923	0.3
97.07637	0.3
105.07030	1.3
106.07355	1.0
112.07616	0.3
112.08749	1.6
114.10275	0.7
115.08705	2.5
120.08107	12.9
127.48435	0.2
130.09744	0.2
139.08675	0.7
140.07130	0.2
140.08186	0.3
154.09740	0.3
156.07674	0.2
157.09715	1.3
182.09154	0.3
192.10201	0.3
199.11951	1.3
207.08250	0.1
233.65128	0.2
237.12338	1.0
259.15576	0.3
273.16727	16.1
417.21536	0.2
435.22098	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25175	1.2
55.33971	1.0
56.05035	2.2
58.06615	1.9
59.03693	1.1
65.78890	0.9
68.70094	1.1
70.06596	21.7
71.19482	1.2
72.08142	1.3
74.06083	21.7
75.35243	1.0
84.04488	6.5
86.09689	3.0
86.57435	1.2
91.05498	1.3
114.05535	10.3
116.07095	75.3
120.08101	100.0
125.71638	1.3
127.08578	1.4
130.05022	1.4
142.08635	3.0
153.10194	1.8
160.87759	1.3
166.15105	1.3
170.90054	1.1
173.70845	1.3
174.50154	1.2
181.09718	6.4
186.09099	2.3
191.11783	54.8
199.10757	20.3
217.11838	31.2
219.11266	16.4
227.10295	13.8
241.07332	1.4
249.12280	6.0
275.13895	1.8
301.09109	1.5
301.29858	1.3
320.16064	37.4
346.17612	2.6
392.66959	1.6
417.15625	1.6
417.21320	44.1
435.15125	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	435.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.9
55.21908	0.8
56.05044	13.6
68.05038	1.9
70.06587	7.7
71.67123	0.8
72.04517	15.6
74.06075	1.4
76.05116	1.5
79.05510	1.2
81.07041	2.0
84.04527	1.2
84.08144	1.5
84.92757	0.8
85.57304	0.9
86.09723	1.9
88.03986	0.9
93.02116	0.8
93.07049	0.9
94.63223	0.8
95.04996	0.9
95.08632	0.9
102.05560	1.0
109.10132	1.3
118.05014	6.9
120.08071	1.3
139.11188	0.9
142.34784	0.8
160.07164	1.1
166.12265	6.3
167.10681	1.2
176.14320	3.7
177.08630	1.6
184.13329	17.2
194.15410	35.5
204.13890	3.8
208.13377	6.7
221.82361	0.9
222.14879	70.9
226.14351	6.7
240.15915	20.1
249.06548	0.9
258.16870	1.3
273.07672	3.0
282.77322	0.8
296.18616	4.4
297.41553	0.9
300.17868	1.3
300.60648	1.0
314.19595	31.7
375.68829	0.8
417.22583	11.9
435.23407	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	435.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11644	0.5
60.04534	8.0
65.83447	0.5
70.06239	0.8
70.06599	18.8
70.06984	0.6
71.04993	3.7
72.08160	3.4
72.69061	0.5
73.02917	2.5
76.14771	0.5
83.02522	0.5
85.02887	2.3
86.46340	0.5
89.73566	0.5
90.05546	0.6
91.03843	0.6
91.63162	0.5
95.06094	12.1
97.02885	1.0
97.07645	2.2
105.07038	9.3
106.07365	5.4
106.07996	0.7
112.07613	4.3
112.08738	11.3
113.07109	0.6
114.10303	4.6
115.08695	20.2
120.08105	100.0
130.09752	2.8
138.10272	2.1
139.08694	4.3
140.08189	3.5
154.09798	3.9
157.09717	11.4
182.09189	4.4
186.90521	0.7
199.11887	12.9
237.12344	7.8
242.12918	0.8
244.14426	0.7
259.15610	2.5
376.19919	0.6
399.18011	0.6
402.14389	0.6
435.23474	87.9
451.60022	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70324	1.1
54.21347	1.0
55.22528	0.9
56.05042	5.7
56.33641	1.0
58.04073	1.5
60.05664	1.4
66.49551	1.5
67.05489	2.6
69.03417	1.5
70.06600	8.7
72.04514	14.4
72.08160	2.1
74.02473	1.8
74.06075	6.6
76.05128	30.4
81.03436	1.5
84.04494	1.7
84.08152	4.7
86.09718	6.5
88.68340	1.1
92.22830	1.1
94.26768	1.3
96.05608	8.4
102.05534	2.0
109.10156	6.6
112.05102	2.1
113.61622	1.1
114.06630	8.6
116.08229	17.8
118.05020	22.6
120.06584	1.4
120.08151	1.7
121.10123	1.4
126.06618	1.9
129.10246	1.5
131.04976	1.4
135.07672	2.7
136.07668	1.1
138.06715	1.3
144.07716	1.8
155.10675	2.5
156.07664	1.2
156.71126	1.1
160.07164	36.3
164.07982	1.3
173.11740	8.1
174.48422	1.3
177.09840	31.8
222.14963	5.2
223.13345	5.7
273.29660	1.3
298.17477	1.4
300.19171	1.9
302.17392	1.3
314.19598	2.6
316.18585	16.8
334.19653	2.3
372.21500	1.5
417.23410	25.4
435.24557	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07606	1.1
55.05508	9.8
57.03437	8.8
57.07077	6.0
61.48335	1.3
62.03017	1.3
67.05508	27.6
69.07064	16.5
70.07059	1.3
79.05483	8.4
81.07063	36.7
83.08633	9.5
91.05482	7.5
93.07039	11.6
95.08594	37.4
97.10181	7.0
98.98473	35.8
99.85247	1.3
105.07021	5.9
107.08583	8.9
109.10170	18.5
111.08089	3.2
119.08582	5.9
121.10139	7.6
123.11698	6.4
125.09555	1.6
127.86744	1.4
133.10138	6.8
135.11696	2.5
137.13223	2.9
147.11688	2.8
149.13242	3.2
155.01035	18.4
173.02130	6.4
175.14828	2.1
245.22566	7.8
263.23645	19.4
334.20456	19.0
337.27304	71.9
350.20123	1.8
352.21576	100.0
370.22638	52.5
375.22961	2.4
394.22644	59.7
412.23718	17.6
419.20218	3.2
435.23422	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	435.2505
Annotation	Oleoylglycerone phosphate
Peak:m/z	Relative Intensity
53.62057	1.4
55.05515	6.2
56.26823	1.3
56.41655	1.2
57.03444	3.3
57.07077	3.2
58.32663	1.2
64.59633	1.5
67.05508	20.2
69.07067	10.2
71.61601	1.5
75.14857	1.5
79.05506	6.8
81.07054	29.2
81.68433	1.5
83.08627	6.9
91.05466	2.1
93.07034	10.7
95.04984	1.5
95.08591	24.0
97.06583	1.7
97.10141	2.8
98.98466	32.0
105.07051	3.9
107.08562	3.7
109.10165	10.9
119.08572	2.8
121.10124	7.6
123.11700	2.7
133.10162	3.1
135.10605	1.6
135.11644	3.4
136.35130	1.6
136.81682	1.7
137.09662	1.8
140.10709	6.5
143.08615	1.7
154.12221	1.6
155.01042	29.0
157.13393	1.8
161.13249	2.0
173.02107	3.3
245.22592	9.4
263.23672	25.5
334.20337	11.7
337.27338	31.2
350.20068	3.0
352.21576	100.0
370.22632	58.2
375.23111	3.3
394.22592	65.8
412.23596	21.1
417.24255	6.5
435.24072	2.8
436.54984	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	435.287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20546	0.4
51.67010	0.4
55.05512	0.5
55.36745	0.4
57.03443	2.8
57.07086	5.7
67.05505	2.6
71.08637	3.2
81.07067	3.2
83.08621	0.6
84.05630	0.4
85.10179	2.4
93.18047	0.6
95.08602	3.5
97.10167	1.0
109.10151	1.9
112.15943	0.4
113.00021	84.8
114.56068	0.4
154.12231	0.7
161.98834	0.5
169.02611	100.0
171.14917	0.5
193.16629	0.5
299.50607	0.5
306.59085	0.5
330.93713	0.6
360.68481	0.5
368.06949	0.6
393.22598	0.5
393.28604	0.5
416.71503	0.5
435.28732	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	435.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85378	0.6
55.05518	0.9
57.03458	2.3
57.07086	6.9
61.41788	0.5
66.63250	0.6
67.05498	3.5
68.71905	0.6
69.07060	2.5
71.08649	6.3
75.97274	0.5
81.07067	5.2
83.08614	1.6
84.36341	0.7
85.10192	2.6
86.06053	0.6
89.06030	0.9
95.08604	4.2
97.10153	1.1
98.98481	2.9
109.10155	3.9
113.00018	92.5
131.01077	0.8
140.10677	1.1
145.12233	1.2
154.12262	8.5
155.06960	0.9
169.02603	100.0
171.14925	4.4
197.84634	0.7
205.98465	0.8
256.71179	0.7
435.28610	2.9
443.41687	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	435.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	2.9
57.07066	1.0
67.05513	7.6
69.03413	1.7
69.07068	7.3
76.03378	1.0
79.05498	2.3
79.15408	0.9
81.07058	12.1
83.04981	9.7
83.08630	2.1
91.05462	1.5
93.07046	8.1
95.08601	27.9
105.07027	10.0
107.08583	14.6
109.06512	1.3
109.10160	27.3
117.07081	1.6
119.08589	20.7
121.06506	1.3
121.10110	11.8
123.11724	5.6
125.09662	2.3
127.82639	1.4
131.08534	8.5
133.06541	1.6
133.10114	10.9
135.04396	8.5
135.08078	7.8
135.11700	6.1
143.08582	4.7
145.10129	28.5
147.11674	9.6
149.05959	10.5
149.09625	2.0
149.13268	5.4
151.11237	1.3
155.08519	1.8
157.10114	8.5
159.11723	11.2
161.09645	2.4
161.13252	7.7
163.07550	1.2
163.11200	1.9
169.10136	2.2
171.11710	7.3
173.09607	18.4
173.13284	6.0
175.11166	3.0
175.14850	1.9
183.11668	2.0
185.13309	5.9
187.14816	31.9
189.16412	5.4
190.82306	1.2
195.11804	1.3
197.13271	2.4
199.14845	2.7
201.16411	2.5
203.14287	2.1
205.15901	2.6
211.14847	5.4
213.16451	2.4
215.14322	6.5
223.14792	1.4
225.16348	2.4
229.15988	1.8
233.15404	12.5
235.14795	1.3
237.16519	1.8
239.17772	1.6
263.74454	1.5
267.17496	1.3
307.20575	1.6
309.22076	2.8
317.22867	1.6
327.50076	1.3
337.25250	2.7
377.28314	2.2
415.67850	1.2
417.31549	19.1
435.32651	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	435.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90001	2.0
55.05517	9.1
56.05029	2.6
57.07069	11.4
67.05515	15.4
69.03435	2.3
69.07089	14.0
79.05514	1.8
81.07069	28.2
83.04977	10.1
83.08636	1.9
85.06540	2.6
89.06037	29.9
89.32732	1.8
91.05479	2.8
93.07051	15.6
94.59801	1.6
95.08598	25.5
97.06500	2.1
97.10172	2.8
99.08095	9.4
101.09672	3.7
105.07029	10.0
107.07077	8.2
107.08604	21.9
109.06523	8.5
109.10161	47.0
111.04455	9.3
113.06007	1.8
119.08591	34.4
121.06504	2.3
121.10156	13.7
123.08058	4.1
123.11690	3.0
126.76415	1.6
126.77653	1.7
129.07037	2.0
131.08585	8.6
133.10129	16.1
135.04430	9.3
135.08105	6.2
135.11722	8.1
137.09651	2.0
139.07510	2.8
143.08606	2.2
145.10132	28.9
145.12259	9.0
147.11690	11.8
149.05952	13.8
149.13272	3.0
154.12315	18.9
155.07018	37.5
155.08446	3.3
155.12616	4.3
157.08646	7.4
157.10129	13.6
157.91193	1.8
159.08018	1.9
159.11662	13.6
161.09727	2.6
161.13332	2.1
163.13309	14.6
169.10144	7.1
171.11688	9.1
172.13345	14.7
173.08165	2.3
173.09607	2.5
173.13393	13.5
175.11118	3.1
175.14835	7.6
183.11710	7.2
184.23521	1.8
185.13246	10.9
187.14749	12.9
197.13278	3.3
199.14796	2.5
201.16383	2.8
209.13275	2.0
211.14771	2.6
213.16426	2.0
215.14351	3.0
217.10637	3.0
223.14870	6.8
225.16389	8.1
233.15417	10.8
237.16396	2.8
239.17896	2.5
241.15886	4.0
249.16327	3.0
251.18224	2.6
261.13467	2.1
267.17429	3.5
269.19052	2.4
273.36359	1.8
313.33908	1.8
317.19525	11.0
334.20789	2.1
337.25281	6.8
340.75003	2.0
352.21738	8.9
370.22800	2.5
394.22858	3.5
399.29959	2.0
417.31302	26.9
417.36127	2.7
428.54987	2.1
435.32541	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39873	0.3
55.05512	0.6
56.05039	8.2
57.07074	0.3
67.05514	3.5
69.07074	3.6
70.06599	0.4
79.05482	0.5
80.60297	0.3
81.07050	1.8
83.08611	0.4
84.08107	0.3
91.05474	2.0
93.07032	1.5
95.08605	2.6
97.10181	0.4
98.98450	0.4
109.10155	11.6
111.11720	1.9
119.08562	2.6
121.10079	0.6
126.12812	0.5
135.11725	0.4
136.11221	2.5
136.70273	0.4
137.09615	3.9
154.12263	100.0
171.14915	45.9
241.34451	0.3
273.24387	0.3
317.19958	0.4
338.76031	0.3
395.73801	0.5
417.38452	0.5
418.36655	3.3
428.91089	0.4
435.39404	21.5
445.81311	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	435.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.6
56.04815	0.5
56.05043	8.6
57.07071	0.4
58.06604	0.4
67.05518	4.8
68.52670	0.4
69.07082	4.8
79.05485	0.7
81.07051	1.7
83.08627	0.4
89.06036	0.9
91.05468	0.7
93.07037	1.0
95.08644	3.4
97.10186	0.6
98.98445	1.8
103.53372	0.4
104.07647	0.4
109.10155	11.5
111.08080	0.5
111.11701	2.6
114.06200	0.5
119.08580	2.8
122.85258	0.4
126.12726	0.4
132.10188	0.9
136.11221	2.2
137.09637	3.7
154.12268	100.0
171.14920	41.8
242.34531	0.4
307.43915	0.4
343.34003	2.1
418.36789	2.9
435.39282	25.6
448.18591	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	436.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86854	1.3
53.03964	4.2
55.01875	9.1
55.60682	1.6
57.03435	3.7
60.04524	1.7
61.02922	3.0
61.36370	1.3
69.03430	24.7
70.06589	2.1
70.93793	1.4
71.04989	2.5
73.02934	12.6
80.63174	1.4
81.03428	26.5
83.04971	2.0
84.08150	2.0
85.02910	100.0
87.00834	27.4
97.02892	38.0
97.06503	1.7
97.18112	1.5
98.06071	1.8
99.04466	16.2
105.01880	32.7
107.04969	10.0
108.04484	4.1
109.02895	42.9
111.04455	7.1
115.03943	3.0
117.01866	2.1
118.57231	1.5
126.05511	6.7
127.03917	73.5
129.01843	9.7
135.04387	1.9
139.03915	50.9
145.04980	23.6
147.02907	2.4
159.02881	25.2
163.03909	20.9
169.04944	3.2
171.06512	79.0
175.42737	1.5
181.04982	9.1
189.03914	8.6
195.06543	31.4
205.05057	1.9
206.25592	1.9
213.03922	2.6
213.07567	33.8
231.05002	9.2
237.07523	13.6
248.07738	3.2
261.07581	7.7
279.08707	19.8
316.52808	2.3
365.08588	3.0
383.09720	14.3
419.11649	6.2
436.22168	1.7
441.53897	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	436.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56526	0.3
50.70807	0.3
54.90587	0.3
67.05479	0.5
69.07039	0.6
71.65162	0.3
72.84138	0.3
79.05450	0.4
81.07005	1.5
85.02869	0.5
93.06998	0.6
95.08574	1.8
97.06516	0.4
99.08073	0.5
105.07028	0.4
107.08545	1.7
109.10091	2.4
117.97126	0.3
118.33765	0.3
119.08524	1.6
120.08878	0.4
121.10069	0.6
123.11710	0.4
133.10066	0.6
135.11642	0.6
137.09615	0.5
147.11696	0.4
149.13274	0.4
159.11649	0.6
187.14809	0.5
216.25008	0.3
227.05267	0.3
277.11209	0.5
294.11234	10.4
306.11157	2.5
308.09235	4.1
322.10757	12.4
323.11523	34.9
338.13852	100.0
418.31824	1.6
436.17560	37.0
436.32953	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	436.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43082	0.2
53.90359	0.2
57.03408	0.4
67.02254	0.2
67.05482	0.5
69.07036	0.3
79.05448	0.3
81.03381	0.4
81.07014	1.4
84.04459	0.2
86.54421	0.2
91.05429	0.5
93.07018	0.5
93.76067	0.2
95.04928	0.4
97.06480	0.3
99.08080	0.5
99.79842	0.2
109.06483	0.3
109.10088	0.4
126.54086	0.2
145.10033	0.3
233.15250	0.3
269.17444	1.3
280.09909	0.3
294.11237	10.1
306.11273	2.3
308.09164	4.7
320.09128	1.4
322.07376	0.4
322.10721	12.1
323.11523	34.4
334.10791	0.3
338.13858	100.0
365.23233	0.5
383.24319	1.4
423.25507	0.3
436.17560	35.9
436.33014	1.0
451.51740	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	436.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56526	0.3
50.70807	0.3
54.90587	0.3
67.05479	0.5
69.07039	0.6
71.65162	0.3
72.84138	0.3
79.05450	0.4
81.07005	1.5
85.02869	0.5
93.06998	0.6
95.08574	1.8
97.06516	0.4
99.08073	0.5
105.07028	0.4
107.08545	1.7
109.10091	2.4
117.97126	0.3
118.33765	0.3
119.08524	1.6
120.08878	0.4
121.10069	0.6
123.11710	0.4
133.10066	0.6
135.11642	0.6
137.09615	0.5
147.11696	0.4
149.13274	0.4
159.11649	0.6
187.14809	0.5
216.25008	0.3
227.05267	0.3
277.11209	0.5
294.11234	10.4
306.11157	2.5
308.09235	4.1
322.10757	12.4
323.11523	34.9
338.13852	100.0
418.31824	1.6
436.17560	37.0
436.32953	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	436.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74739	0.3
67.03183	0.3
67.05463	0.9
69.07020	0.4
70.66647	0.4
75.86364	0.3
77.87817	0.4
81.06994	1.7
88.10316	0.4
92.20795	0.4
93.06985	0.6
95.08594	0.5
97.06467	0.8
107.08533	0.5
111.76962	0.4
119.08529	0.5
121.10111	0.7
157.10081	0.7
163.11148	0.5
179.66718	0.4
262.76852	0.4
269.17386	0.8
285.16864	0.4
294.08237	0.7
294.11243	9.4
306.11163	0.7
308.09189	5.8
320.09006	2.4
322.10754	12.3
323.11530	36.5
338.13849	100.0
365.23248	1.9
383.24353	0.9
436.17575	38.0
438.17969	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	436.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43082	0.2
53.90359	0.2
57.03408	0.4
67.02254	0.2
67.05482	0.5
69.07036	0.3
79.05448	0.3
81.03381	0.4
81.07014	1.4
84.04459	0.2
86.54421	0.2
91.05429	0.5
93.07018	0.5
93.76067	0.2
95.04928	0.4
97.06480	0.3
99.08080	0.5
99.79842	0.2
109.06483	0.3
109.10088	0.4
126.54086	0.2
145.10033	0.3
233.15250	0.3
269.17444	1.3
280.09909	0.3
294.11237	10.1
306.11273	2.3
308.09164	4.7
320.09128	1.4
322.07376	0.4
322.10721	12.1
323.11523	34.4
334.10791	0.3
338.13858	100.0
365.23233	0.5
383.24319	1.4
423.25507	0.3
436.17560	35.9
436.33014	1.0
451.51740	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	436.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	0.7
53.20747	0.6
55.01861	0.6
55.05523	0.6
57.83052	0.6
67.05518	0.7
69.03428	6.3
69.07047	5.6
70.06589	1.3
70.07407	0.7
71.04966	1.9
72.08144	2.7
73.02915	1.7
75.88302	0.7
81.03427	6.1
81.07065	1.9
83.08620	0.9
85.02427	1.4
85.02901	21.2
86.09708	4.4
87.00835	8.7
90.10206	0.7
92.21552	1.1
93.07046	8.1
93.55863	0.7
93.57427	0.8
95.08614	6.8
96.92529	0.7
97.02895	13.4
97.06533	19.7
99.04446	3.5
103.03887	0.8
105.01860	14.0
107.08595	15.7
109.02877	9.5
109.10165	10.2
127.03905	16.7
129.01883	0.8
135.11691	29.9
142.32002	0.7
145.04935	6.7
152.07091	0.8
153.12740	100.0
159.02884	4.8
163.40613	0.7
170.15422	0.8
171.13777	23.8
187.61139	0.8
188.16411	1.3
213.03949	1.0
231.04964	1.7
249.06062	4.1
283.10895	0.9
320.09116	21.6
383.16782	1.4
401.18109	13.4
419.19061	3.8
436.10007	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	436.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34776	0.9
53.03959	1.7
53.69466	1.0
55.01875	3.0
55.05509	2.4
57.03440	1.9
61.02934	2.8
64.92998	1.3
67.05511	5.7
67.46588	1.3
69.03438	18.7
69.07059	1.8
69.30527	1.1
71.04991	2.7
73.02914	2.1
79.05504	13.4
81.03424	16.2
81.07047	10.3
83.05016	1.6
85.02905	51.0
87.00828	19.8
87.04462	1.3
91.05495	10.5
92.20888	1.3
92.21385	2.7
93.07045	88.4
93.41792	1.4
95.04961	5.4
95.08073	1.8
95.08614	26.2
97.02901	21.8
97.06557	2.4
99.04460	12.8
105.01880	40.5
105.07008	3.0
107.08598	100.0
109.02895	20.3
109.06515	1.8
109.10145	6.0
112.41743	1.4
115.03934	2.1
119.08560	2.9
121.10161	1.5
123.04410	6.0
127.03913	38.8
129.01862	2.4
133.10188	1.2
135.11702	60.3
139.68932	1.3
140.77916	1.4
145.04950	19.3
145.10146	2.3
151.82175	1.3
153.12756	6.6
157.10147	2.3
159.02876	13.7
159.11746	1.7
170.38672	1.3
177.12866	1.6
179.07086	1.4
183.45926	1.3
231.05003	17.6
243.13782	2.0
249.06056	5.6
262.72873	1.2
365.15961	2.3
383.16785	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	436.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05039	2.8
56.87975	0.4
57.05373	0.5
58.04087	2.5
60.05651	3.0
60.18912	0.4
67.05506	1.3
68.05026	1.0
69.03407	0.7
70.06595	7.7
72.04520	14.1
72.04900	1.0
72.08157	2.9
73.04851	2.5
74.06081	4.7
76.05128	21.3
77.04826	0.9
77.05485	1.1
81.96139	0.5
84.04508	0.8
84.05646	0.7
84.08141	3.9
86.09700	3.3
87.04517	0.6
87.05567	0.6
88.03993	0.8
93.07079	0.6
95.08590	0.6
96.05585	0.7
97.02966	0.6
99.21800	0.6
107.04973	0.8
109.10145	2.2
110.07166	2.3
110.10522	0.8
114.06664	1.2
116.08215	11.5
117.08582	2.1
118.05016	31.3
119.05362	8.0
120.06565	0.5
120.08119	1.2
129.10229	2.3
135.07616	0.8
136.07614	0.6
155.10818	0.6
160.07161	36.7
161.07581	12.7
173.11768	1.0
174.12083	0.6
177.09818	5.6
178.10138	2.7
194.15335	1.8
195.12141	0.5
195.14169	0.6
195.15791	3.2
211.15343	0.6
214.09323	2.7
222.14761	4.7
223.13287	1.7
223.15273	9.9
224.13622	1.3
232.10254	1.1
240.15968	1.1
241.16327	2.6
314.19778	0.9
315.19946	10.3
317.18842	1.9
418.24011	7.0
419.08713	0.8
436.11694	2.6
436.24792	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	436.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06939	1.1
51.23482	1.2
54.58871	1.4
55.01862	1.9
55.05520	18.3
57.03447	1.4
60.05631	1.5
61.02936	1.6
67.05512	2.4
69.03439	10.0
69.07070	9.7
70.06590	2.3
74.87955	1.3
79.05504	2.1
81.03423	5.3
81.07071	10.7
84.04524	2.4
85.00030	1.4
85.02914	30.6
86.09708	100.0
87.00831	11.4
91.05479	2.0
93.07034	30.6
95.08607	11.9
97.02895	18.1
97.10175	56.1
99.04458	3.4
105.01870	16.8
105.07079	2.1
107.08595	32.4
108.47747	1.4
109.02885	8.6
109.10148	2.0
125.09635	7.0
126.05519	8.2
127.03907	19.7
130.57701	1.4
132.10210	68.6
135.11697	23.1
137.13268	2.3
138.05536	3.1
143.10672	9.6
145.04939	11.3
145.10104	1.8
153.09082	1.5
159.02896	6.7
168.06487	2.2
170.15312	5.5
188.16362	1.5
231.04993	10.8
249.06050	3.2
256.19064	26.0
274.20111	65.3
287.69208	1.6
320.09079	14.7
342.65857	1.6
383.16913	2.1
436.13895	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	436.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.7
55.05519	3.6
57.03442	1.7
67.05502	9.6
69.03436	9.2
69.07063	7.7
71.04994	1.7
77.40099	0.8
79.05508	5.7
81.03421	18.3
81.07059	38.0
83.04986	5.1
83.08623	8.0
85.02907	10.0
85.06542	1.8
91.05481	10.7
92.21056	1.0
93.07044	9.1
95.08612	9.6
97.02911	8.8
97.06525	3.7
97.10165	1.2
99.04450	4.2
99.08111	3.4
101.06023	0.7
105.07040	22.8
107.08595	13.2
109.02880	17.7
109.06525	4.8
109.10142	7.0
110.10507	1.5
112.49812	0.7
113.05975	1.4
119.08569	17.7
120.08927	0.7
121.10133	22.4
123.08086	5.4
123.11697	35.6
127.03922	18.8
127.07520	5.5
133.10126	4.5
137.13237	4.3
141.09174	1.0
145.04897	0.9
145.10138	1.7
147.11687	100.0
147.38887	0.8
157.08708	1.0
157.10097	3.4
159.11693	1.0
165.12738	47.2
175.11205	4.4
176.69664	0.9
183.13881	5.3
187.14825	0.9
191.75401	0.8
193.12286	6.1
211.13275	5.1
219.17426	1.1
229.14349	46.0
239.20004	1.0
309.16989	0.9
319.15399	8.2
336.12549	1.8
337.12363	1.5
337.16412	43.5
355.17514	30.2
373.18536	19.1
401.21463	1.4
418.31689	3.3
436.27573	1.0
436.33005	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	437.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84048	0.5
55.48336	0.5
74.43289	0.5
74.49384	0.5
85.57106	0.6
91.05498	3.3
92.21024	0.9
92.21497	0.7
99.08851	0.5
111.87383	0.6
118.09280	0.5
185.04233	6.1
231.44296	0.6
275.08862	1.3
293.10046	0.9
375.14160	2.4
377.12000	2.4
437.14206	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02134	0.9
56.00917	0.8
67.05509	2.3
68.47736	0.8
69.07063	2.0
74.35213	0.9
74.98056	1.2
81.07046	4.3
85.00544	1.0
89.87388	1.0
93.07075	1.8
95.08582	7.3
97.10223	1.1
98.33800	1.0
98.97637	1.5
105.07052	4.1
107.08614	1.8
109.10170	9.2
119.08591	6.1
121.10146	4.2
131.08640	1.0
133.10153	4.5
135.08066	1.4
143.08582	1.2
145.10097	2.3
147.11719	2.2
149.13257	1.7
159.11699	4.0
161.50443	1.1
173.13252	2.3
183.11761	1.2
185.13232	1.7
187.14775	1.5
189.16487	1.5
211.14961	1.5
217.15868	2.4
303.12027	4.6
309.32361	1.1
318.21094	1.4
334.20670	1.2
336.22119	24.5
352.21362	1.7
354.23251	1.4
396.24286	17.2
419.33023	4.2
437.19370	100.0
437.34277	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	437.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
60.07999	0.8
73.70876	0.8
80.02467	0.9
81.07045	1.1
91.81866	0.9
94.38632	0.9
95.08585	0.9
98.97607	3.7
100.11267	1.6
102.35475	0.9
109.10179	1.3
116.98650	4.2
119.08577	1.3
121.78580	0.9
134.99648	1.4
197.78464	0.9
303.12073	4.8
318.21054	4.9
336.17981	1.6
336.22107	48.8
354.23135	5.4
355.21753	2.0
373.22769	1.3
378.23166	6.0
386.05045	1.0
396.24261	24.4
437.19345	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2381
Annotation	HC-toxin
Peak:m/z	Relative Intensity
50.22340	1.1
53.03961	1.3
57.03442	1.8
61.02928	1.6
63.55408	1.1
67.05510	3.2
69.03428	24.4
69.07063	6.1
71.04985	3.2
72.41111	1.1
73.02914	1.7
81.03424	14.7
81.07056	5.6
83.04980	1.9
85.02904	75.7
93.07074	3.3
95.08599	7.8
97.02893	27.2
99.04452	38.2
103.03943	96.6
105.07068	1.7
107.08604	2.8
109.02884	16.6
109.10154	12.1
111.82089	1.2
119.03027	1.3
119.08577	6.1
121.10143	5.8
123.11603	1.4
127.03913	100.0
131.08600	1.6
133.10063	1.9
135.11740	2.0
145.04955	48.7
145.10095	5.2
150.11710	1.4
157.10158	1.7
159.11685	2.3
161.13231	2.6
163.06013	39.4
169.10144	1.9
171.11725	5.8
173.13239	2.5
183.11664	3.1
187.06033	3.1
195.11653	1.4
196.04692	1.5
196.06596	1.5
197.13333	1.8
205.07043	1.6
211.14734	1.8
215.17963	1.4
223.14525	1.3
225.16319	1.6
267.20685	1.8
271.08145	5.2
274.96985	1.3
279.21066	1.8
289.09106	8.1
291.20831	1.9
295.24142	1.6
307.10172	6.0
309.22037	1.3
401.32141	2.2
419.33096	12.3
437.34094	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	437.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03645	1.9
55.05521	4.0
58.42598	2.0
61.01290	1.9
67.05503	9.1
69.07071	11.3
71.04990	8.8
77.41595	2.3
77.83186	2.3
79.05494	4.5
81.07058	23.1
83.08621	4.3
85.43781	2.1
91.05490	3.7
93.07033	17.8
95.04999	2.9
95.08627	28.4
95.88408	2.0
97.06522	2.5
104.43069	2.1
105.07026	22.1
107.08595	30.5
109.10164	31.8
119.08567	31.0
121.10123	32.9
123.11695	16.4
125.09619	3.5
127.11179	20.8
131.08565	13.3
133.10121	26.4
135.07986	7.3
135.11702	17.6
143.08566	5.4
145.10149	26.8
147.11693	25.5
149.13264	5.5
157.10149	14.2
159.11705	22.7
161.09639	3.9
161.13243	12.5
163.14799	3.3
169.10126	3.8
171.11710	22.7
173.09595	3.9
173.13246	37.0
175.14821	23.5
177.16428	15.8
181.10362	2.6
183.11670	12.1
185.13229	20.1
187.11168	5.0
187.14827	33.4
189.16380	14.8
197.13252	19.5
199.11215	3.4
199.14780	13.2
201.12762	15.5
201.16396	5.6
203.10689	5.4
211.14844	10.1
213.16269	2.7
215.10684	13.8
215.14342	12.5
215.17934	4.3
221.11630	3.0
223.14812	3.3
225.16357	2.8
227.18040	3.7
233.11810	9.6
237.16388	3.5
243.13808	22.5
246.03308	2.5
251.17999	3.7
261.14816	37.7
279.20923	3.1
301.07056	11.6
391.29889	3.9
395.57224	2.8
419.33463	27.3
437.34943	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.8
65.30679	1.6
67.05505	4.4
69.07059	7.5
71.04977	1.9
79.05481	8.6
81.07058	24.6
83.08614	3.4
89.83347	2.1
91.05455	2.9
93.07068	15.2
95.08603	31.0
105.07036	18.7
107.08593	24.9
107.36800	2.1
109.06538	3.2
109.10162	31.0
119.08569	30.6
119.24653	1.7
121.06478	2.3
121.10139	27.7
123.11674	16.0
127.11192	2.9
131.08539	17.5
132.70064	1.8
133.10143	22.3
135.08118	2.1
135.11697	22.1
137.13281	2.7
143.08572	7.2
145.10152	23.5
147.11700	22.6
149.09669	1.8
149.13310	8.1
157.10110	11.6
159.08055	8.1
159.11697	24.5
161.09595	3.4
161.13249	15.4
163.14781	3.8
169.10109	6.4
171.11670	16.6
173.09604	8.7
173.13266	50.0
175.11198	3.9
175.14851	33.5
177.16393	20.0
181.10049	2.0
183.11684	10.9
185.09705	2.1
185.13255	8.4
187.11197	11.1
187.13214	3.7
187.14812	53.8
189.09070	3.0
189.12750	2.5
189.14777	2.6
189.16292	18.3
197.13268	12.5
199.11101	11.2
199.14850	12.4
201.09109	3.7
201.12766	14.0
201.16406	10.8
203.10683	4.5
203.17955	8.7
207.10069	2.2
209.13200	1.9
211.14903	2.6
213.16371	7.7
215.10735	13.6
215.14333	25.0
215.17860	3.8
217.12238	2.4
217.15764	2.3
217.19469	4.1
221.11650	3.3
221.27531	1.9
222.14702	7.9
223.14877	2.1
225.16479	2.5
227.17830	2.2
229.19525	2.6
233.11681	15.5
238.14043	2.7
241.19449	3.6
243.13786	39.4
253.19356	2.3
255.21030	3.6
261.14813	51.2
293.22516	2.4
391.30066	9.3
419.28455	16.6
419.33627	7.6
436.74847	2.0
437.29755	100.0
437.35364	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	437.3412
Annotation	2-Phytyl-1,4-naphthoquinone
Peak:m/z	Relative Intensity
55.05078	1.4
55.05521	2.2
67.05498	2.5
69.07078	6.8
71.04975	8.2
78.49053	1.6
81.07061	7.5
81.81335	1.7
83.08626	2.4
93.07034	2.8
95.08587	13.8
97.10184	2.0
105.07034	8.1
107.08577	12.1
109.10146	21.7
117.07053	3.7
119.08587	7.6
119.11568	1.7
121.10126	7.8
123.11724	14.5
125.09641	8.4
127.11168	9.4
129.06973	2.3
131.08543	3.4
133.10124	3.3
135.11626	4.2
141.12776	10.2
143.08484	3.3
143.10651	8.4
145.10123	12.3
147.11693	9.8
149.13309	3.2
155.56706	2.3
157.10150	3.8
159.11679	10.6
161.13263	4.0
169.10219	2.9
171.11713	8.2
173.13278	7.1
183.11690	7.9
185.13263	14.2
187.14832	7.5
189.12650	1.7
193.62836	1.9
197.13251	3.8
199.14844	9.8
201.16425	4.1
211.14786	2.1
213.16371	2.4
215.17917	3.8
225.16409	6.9
227.17844	2.4
237.16435	3.2
251.17917	3.2
253.19595	3.2
297.22073	2.6
335.35452	2.0
366.77637	1.9
401.31830	3.5
419.32886	20.3
437.34085	100.0
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	2-Phytyl-1,4-naphthoquinone
Peak:m/z	Relative Intensity
54.04033	1.2
55.05515	7.6
56.93682	1.3
67.05510	13.6
69.07062	9.1
75.86974	1.4
79.05483	2.8
81.07059	20.7
91.05491	1.7
93.07044	15.5
95.08607	44.1
105.07021	14.7
107.08602	29.3
109.10152	42.7
119.08599	26.4
121.10131	23.4
123.11687	2.7
125.09616	2.2
129.07025	1.7
131.08569	6.9
133.10121	19.7
135.11708	12.0
137.13332	2.0
143.08571	9.1
145.10139	22.8
147.11671	19.8
149.13266	7.4
157.10109	13.7
159.11739	15.9
161.13229	9.5
163.14853	1.9
169.10162	8.7
171.11624	11.8
173.13210	11.4
175.14806	9.8
183.11717	7.5
185.13290	8.8
187.14828	14.9
189.16394	3.3
195.11697	2.0
197.13301	3.8
199.14847	10.0
201.16367	4.2
203.17990	2.3
209.13309	2.3
211.14816	2.6
213.16429	8.9
215.17963	2.7
223.14845	3.7
225.16321	10.7
227.17934	3.5
231.17415	1.8
237.16420	7.3
239.17957	4.0
241.15900	1.8
251.17960	4.0
253.19569	10.4
255.20877	2.0
265.19400	2.7
277.19510	6.8
279.20938	3.1
292.21893	2.8
335.18655	1.6
361.28781	2.6
375.30682	2.1
401.32166	10.5
419.33029	44.0
437.34143	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.341
Annotation	2-Phytyl-1,4-naphthoquinone
Peak:m/z	Relative Intensity
55.05513	1.9
59.58101	0.9
67.05501	7.0
69.07079	7.5
71.05001	1.5
79.05479	1.7
79.60299	1.0
81.07066	15.7
83.04979	1.9
83.08593	1.4
91.05483	1.6
93.07045	12.8
95.04965	4.4
95.08612	22.0
97.10120	1.0
105.07035	7.4
107.08585	17.3
109.06483	2.7
109.10160	29.1
119.08580	16.5
121.10152	17.6
123.08058	4.3
123.11707	9.5
131.08592	5.1
133.10127	15.2
135.08075	2.3
135.11693	12.1
137.13278	2.1
143.08592	1.8
145.10129	10.4
147.11690	11.6
149.13255	6.0
151.11203	2.1
157.10120	6.8
159.11699	10.5
161.09706	1.4
161.13266	8.7
163.11214	1.4
163.14857	1.6
169.10097	1.7
171.11690	6.8
171.77423	1.1
173.13274	11.6
175.14836	5.4
177.16351	1.5
179.14413	1.2
183.11647	4.4
185.13309	9.6
187.14812	9.9
189.16394	8.8
197.13205	4.6
199.14793	8.5
200.31824	1.2
201.16379	7.4
209.13373	1.6
211.14813	4.6
213.16484	5.9
215.18001	5.0
221.01088	1.0
225.16406	4.7
226.17293	1.3
227.17961	6.6
229.19572	5.0
231.20964	1.2
237.16414	1.4
239.17986	2.3
241.19542	2.0
243.21179	1.5
251.18062	1.6
253.19536	6.2
255.21022	2.6
257.22495	2.2
265.19519	2.2
267.20963	1.6
269.18829	1.3
269.22610	1.9
320.09204	2.1
321.09546	7.5
339.13278	1.5
341.77661	1.2
361.29099	1.7
379.29990	2.5
401.31760	4.4
401.64777	1.1
419.33002	26.0
437.17755	2.1
437.34134	100.0
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	2-Phytyl-1,4-naphthoquinone
Peak:m/z	Relative Intensity
50.26791	0.7
53.71581	0.6
53.77494	0.6
55.05516	1.6
63.79454	0.6
67.05509	6.9
69.07068	8.8
71.64411	0.7
73.29498	0.6
79.05503	1.5
81.07064	10.8
83.04920	0.8
83.08633	4.1
91.05442	0.8
91.94076	0.7
93.07056	9.7
95.05010	0.9
95.08607	17.1
97.06458	0.8
97.10157	1.3
105.07044	8.7
107.08604	15.2
109.10164	26.9
117.07019	1.2
119.08606	18.2
121.10150	13.6
123.08092	0.8
123.11725	3.4
125.09639	1.0
129.07021	1.1
131.08559	5.0
133.10112	13.6
135.08072	1.5
135.11693	7.0
137.13287	1.3
143.08611	1.2
145.10115	10.8
147.11650	8.9
149.09653	1.7
149.13271	6.4
155.08510	1.1
157.10133	7.0
159.11702	8.5
161.13283	6.6
163.14885	1.8
169.10162	1.6
171.11646	7.2
173.13281	7.6
175.11240	0.8
175.14821	28.4
177.12717	1.5
177.16370	3.2
179.14386	1.0
181.10152	0.8
183.11746	3.0
185.13255	6.0
187.14781	6.8
189.16414	1.4
195.11694	1.1
197.13283	4.7
199.14841	5.9
201.12721	0.9
201.16406	2.9
203.17937	0.9
205.15755	1.0
211.14836	3.4
213.16454	5.8
215.17944	2.7
217.15921	1.6
223.14867	1.0
225.16339	3.9
227.17934	7.9
231.17386	2.9
237.16302	1.7
239.18015	3.2
241.19550	1.8
243.17519	0.9
251.18144	0.8
253.19519	1.5
259.20413	1.0
263.18039	1.3
265.19846	0.8
269.18961	4.3
271.20599	1.6
281.22638	3.1
293.22574	1.5
299.23737	1.1
305.22726	1.1
311.23682	3.7
335.23611	1.1
337.25293	1.1
353.28433	1.3
377.28220	0.9
381.28339	1.0
401.31992	3.7
419.33118	22.7
437.34158	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3413
Annotation	2-Phytyl-1,4-naphthoquinone
Peak:m/z	Relative Intensity
55.05526	2.7
57.03458	1.3
57.07085	2.1
59.24460	1.3
59.43117	1.2
61.26936	1.4
64.16577	1.3
67.05511	8.2
69.07084	8.1
69.11135	1.5
71.05015	7.5
72.31815	1.4
73.29332	1.3
79.05497	2.6
81.07058	13.7
83.08613	2.5
85.06589	1.6
91.05482	3.0
93.07053	10.4
95.08612	20.9
97.09553	1.4
99.08125	6.4
105.07050	8.7
107.08585	20.8
109.10156	32.2
110.29446	1.7
110.53484	1.3
110.60545	1.5
111.08055	1.6
117.07048	2.2
119.08582	19.6
121.10128	15.3
123.11707	10.6
125.09652	2.8
127.11173	2.1
131.08609	7.0
133.10136	16.7
135.08168	2.5
135.11723	7.7
141.12753	2.2
143.08633	2.2
145.10153	16.2
147.11702	12.7
149.13274	5.8
157.10172	9.4
159.11684	20.1
161.13300	9.2
169.10199	2.1
171.11752	10.3
173.13234	13.3
175.14888	8.9
177.16321	1.9
181.27815	1.9
183.11766	3.5
185.13214	11.0
187.14838	10.6
189.16412	1.9
197.13275	6.3
199.14929	9.7
201.16399	2.3
209.13274	1.8
211.14931	3.3
213.16493	3.1
215.18008	10.5
223.14885	3.3
225.16396	3.0
227.18002	7.7
237.16457	2.8
239.18102	3.5
241.19551	2.0
251.18005	3.2
253.19640	2.3
265.19705	1.9
279.21228	2.8
333.25684	1.6
401.31943	1.7
419.33090	25.8
437.34262	100.0
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	2-Phytyl-1,4-naphthoquinone
Peak:m/z	Relative Intensity
55.05506	2.0
58.75688	1.3
67.05508	7.2
69.07082	10.4
78.74289	1.6
79.05505	1.8
81.07047	14.5
83.08608	1.6
87.73660	1.3
91.05472	3.6
93.07057	12.1
95.08603	25.0
97.10171	2.1
103.93956	1.2
105.07044	11.9
107.08601	20.8
109.10171	35.8
117.07001	2.1
119.08573	16.9
121.10126	13.4
125.09563	1.8
129.07053	1.7
131.08598	7.2
133.10110	16.4
135.08054	3.4
135.11748	10.4
135.12653	1.7
136.55943	1.5
137.13324	1.5
143.08629	4.9
145.10078	14.3
147.11711	15.8
149.13260	6.1
156.09354	1.5
157.10147	9.6
159.11700	14.6
161.09575	3.6
161.13271	12.0
163.14799	2.7
169.10107	2.4
171.11755	10.2
173.13237	12.4
175.14836	9.1
183.11690	3.5
185.13272	6.7
187.14734	10.5
189.16428	7.9
195.11670	1.9
197.13255	2.8
199.14853	7.7
201.16405	9.1
203.17871	1.7
211.14949	3.1
213.16397	7.0
215.17998	3.0
217.15881	7.0
225.16380	1.8
227.17943	2.9
229.15939	1.9
231.17577	1.7
239.18054	2.2
241.19667	3.3
251.18051	2.6
253.19504	2.9
265.19586	2.8
267.21149	1.7
283.20612	2.5
293.22452	1.8
297.22171	2.2
339.26468	1.7
361.29199	2.3
379.30035	6.9
401.32153	6.4
419.33038	37.0
437.34244	100.0
443.68060	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	437.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.3
57.07116	0.8
59.37986	0.7
67.05513	6.5
69.03434	1.3
69.07069	7.9
71.08627	1.0
79.05492	1.2
81.07056	11.0
83.04999	1.4
83.08660	2.0
91.05506	4.0
91.55899	0.8
93.07053	5.7
94.57862	0.9
95.08609	19.7
96.90001	0.8
97.06528	1.5
97.10184	1.1
105.07043	10.8
107.08603	17.4
109.06535	1.5
109.10165	29.0
117.07046	1.3
119.08592	14.0
121.10148	14.0
123.11690	1.8
125.09653	2.0
131.08591	5.7
133.10133	13.5
135.08047	5.5
135.11713	5.8
137.09642	1.3
143.08527	4.0
145.10121	13.4
147.11699	12.4
149.13277	6.0
150.26578	0.9
154.12253	1.2
155.08475	1.3
155.12563	1.2
157.10135	8.2
159.11696	13.0
161.09589	4.4
161.13269	7.5
163.11201	1.7
163.14769	1.8
169.10103	2.3
171.11681	7.5
173.13274	10.1
175.11191	1.8
175.14806	6.6
177.16287	1.0
183.11670	2.0
185.13287	5.2
187.14790	10.6
189.16429	6.3
195.11646	1.3
197.13303	4.2
199.14807	7.4
201.16386	9.2
203.17941	1.4
209.13313	1.2
211.14784	1.5
213.16348	8.8
215.18016	5.7
217.15846	9.7
223.14890	1.2
225.16382	4.0
227.18028	1.8
229.19618	1.2
231.17435	2.1
237.16359	2.2
239.17932	5.5
241.19443	4.2
251.17958	1.6
253.19579	4.1
267.21143	2.1
271.20636	1.7
293.22791	1.9
309.22141	1.3
345.25375	1.2
361.29120	1.2
379.29834	4.9
401.31985	5.4
419.33112	23.4
437.34180	100.0
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
50.48622	0.7
52.87751	0.6
53.03949	0.6
53.39622	0.6
55.05523	5.5
57.07076	1.2
57.52832	0.7
62.31581	0.7
67.05177	1.2
67.05509	21.6
69.03442	0.8
69.07082	10.7
71.04992	0.9
79.05499	10.3
81.07065	41.8
83.08617	9.4
91.05486	7.2
93.07050	20.9
95.08604	39.6
95.09193	1.6
97.06540	4.8
97.10194	7.3
99.08092	1.1
100.07621	0.8
101.50516	0.7
104.86096	0.7
105.06392	1.4
105.07037	14.4
107.08595	18.8
109.06530	0.8
109.10153	22.0
111.08096	1.9
111.11712	1.5
117.07017	1.8
119.08569	16.1
121.06524	1.0
121.10135	20.2
123.11705	8.6
125.09624	1.4
131.08556	11.1
133.10121	9.3
135.08055	1.4
135.11693	14.9
137.13281	1.0
143.08549	3.3
145.10127	15.4
147.11693	8.0
149.09624	2.8
149.13216	7.6
151.11195	1.1
151.14868	1.1
157.10149	1.0
159.11694	9.1
161.13289	5.1
163.11174	1.1
163.14804	1.7
171.11707	4.3
173.13248	4.6
175.11237	0.8
175.14853	1.7
185.13271	3.5
187.14838	3.1
189.16476	1.6
199.14859	1.6
201.16371	1.7
213.16341	1.0
217.19611	0.9
219.17021	1.0
223.94032	0.9
233.19089	1.0
259.20605	1.7
261.22205	0.9
262.21732	0.9
263.25931	0.8
273.22134	0.9
336.22171	1.7
357.31580	4.0
367.30038	3.3
375.32712	1.8
384.32568	9.8
385.31046	21.3
396.23962	0.9
402.33649	37.2
403.32175	14.1
419.27951	2.8
419.36298	10.1
420.34744	25.2
437.37430	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30751	1.5
53.75784	1.5
53.76042	1.5
55.05520	4.6
67.05518	24.1
68.63730	1.7
69.07069	12.0
76.23460	1.9
79.05501	13.4
79.83651	2.1
81.07069	41.7
83.08618	14.0
85.10205	2.5
91.05485	3.4
93.07050	23.2
95.04972	1.8
95.08610	38.7
97.06566	1.9
97.10191	9.9
105.07041	13.8
107.08602	20.8
109.10162	21.9
111.08132	2.4
111.11752	2.4
117.07022	2.2
118.86285	1.9
118.87244	2.3
119.08602	16.8
121.10136	21.1
123.11755	7.6
131.08562	12.9
133.10162	8.6
135.11739	15.4
145.10170	12.5
147.11676	8.1
149.13336	4.0
158.82379	2.1
159.11734	8.9
161.13254	3.3
171.11729	4.7
173.02650	1.8
173.13249	4.4
185.13313	3.5
187.14886	3.5
213.16394	2.7
292.47720	2.1
336.04327	2.1
357.31894	3.4
367.30032	9.8
384.32703	18.4
385.30997	21.8
402.33740	38.7
403.31979	22.2
419.36343	2.8
420.34845	35.3
437.19821	2.8
437.37460	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04546	0.8
53.03960	0.8
53.88646	0.8
55.05278	1.2
55.05521	19.5
55.37747	0.9
58.99590	1.3
60.04527	2.1
63.91970	0.8
69.03510	0.8
70.06587	5.3
74.00671	1.8
76.02245	0.9
83.08624	48.4
84.04507	10.6
84.08145	1.7
86.09700	1.7
86.99039	3.7
88.03981	4.2
92.36019	1.0
98.08965	0.9
100.02219	3.5
101.09647	1.3
104.01703	1.7
106.05041	7.7
118.03246	3.7
120.08110	4.7
128.01656	1.7
129.06583	8.2
129.10291	1.2
130.04990	5.8
140.72433	1.1
142.03207	1.6
146.02713	100.0
159.08389	42.3
174.02216	13.7
175.11958	1.5
176.11028	1.8
192.03253	88.8
205.17738	0.9
268.09213	1.1
292.12158	23.2
309.14755	46.4
333.14764	7.8
373.20782	1.0
420.17798	1.1
438.13354	13.3
438.19025	44.3
438.24026	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	438.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05283	1.1
55.05525	16.6
58.99594	3.6
60.04536	5.6
70.06595	7.3
72.08163	1.6
74.00666	4.2
83.08130	1.7
83.08624	43.8
84.04509	12.2
84.08131	2.3
85.02923	1.4
86.09713	1.5
86.99067	2.1
88.03994	4.4
100.02216	2.1
105.00061	1.6
106.05022	7.2
109.02809	1.2
111.17139	1.0
118.03209	1.6
120.08080	6.5
129.06584	9.0
129.10202	3.8
130.05006	3.7
130.06538	1.6
136.07602	1.4
142.03172	2.1
146.02711	100.0
147.07513	0.9
152.09003	0.9
157.06082	1.1
157.13445	1.0
159.08395	43.0
160.06104	1.2
174.02156	13.4
175.00607	1.6
175.11960	1.3
181.06148	1.2
187.07814	1.1
192.03249	95.9
205.08809	1.0
257.05878	1.9
274.10928	1.2
292.12073	27.8
309.14767	53.9
309.18289	2.1
333.14688	11.1
438.13531	5.7
438.18997	44.6
438.24149	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	438.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02016	0.4
56.39109	0.4
57.02176	0.4
58.47180	0.4
61.39156	0.4
65.66724	0.4
68.05428	0.4
71.06049	0.4
71.08625	2.9
71.81465	0.4
77.65105	0.4
81.07050	1.9
86.02489	0.4
91.05461	1.0
99.08105	0.5
109.10143	0.5
116.04983	1.0
119.74445	0.4
136.05208	1.1
144.04457	4.7
146.06050	0.6
147.04404	5.0
149.05981	2.3
151.07542	1.8
152.89961	0.5
159.04422	0.6
162.05525	1.9
165.05542	2.0
174.05502	51.5
175.03928	2.0
176.07004	3.4
177.09122	3.5
192.06442	3.3
193.04980	2.1
195.06514	0.8
204.11604	0.6
219.13890	0.6
229.12184	0.7
229.61754	0.5
247.13351	1.9
263.12781	1.1
304.09766	0.7
308.09268	2.2
309.09967	4.6
309.38708	0.5
312.12347	1.1
319.12100	0.9
320.09216	0.5
324.08777	5.5
332.09201	2.0
333.09875	1.0
334.10889	3.3
339.11002	5.6
340.11722	9.1
346.10785	2.9
347.11652	3.0
348.08588	2.7
348.12399	2.1
349.13196	0.5
352.08145	21.3
358.14597	0.7
360.12222	3.7
362.10254	6.1
363.10992	1.0
367.10587	6.7
368.11298	0.5
374.13852	2.6
376.11819	2.2
377.12592	3.0
378.13254	1.0
388.15637	0.8
389.16159	4.2
390.13400	2.3
392.18362	0.9
402.16907	1.8
405.15765	1.0
407.17178	1.9
408.14520	1.1
410.19687	3.0
420.18033	12.4
438.19125	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	438.233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	20.4
59.05019	3.9
67.05511	75.9
69.03430	60.7
81.07050	9.6
85.02908	55.6
87.04463	67.7
88.79497	2.3
93.07039	2.5
95.08588	2.6
97.02893	70.4
103.03933	2.8
104.98503	2.4
109.09430	5.0
109.10156	91.9
115.03926	100.0
121.09174	1.8
127.03918	4.6
133.04970	81.9
145.05009	4.0
150.07605	14.8
163.05928	2.2
163.56822	2.1
179.68738	2.3
241.14401	4.0
259.08127	9.3
295.10208	10.4
319.99323	2.4
374.01431	2.2
438.34543	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	438.306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	7.8
57.03447	10.0
61.99435	3.8
67.05508	54.5
68.39735	3.9
69.07059	7.3
70.47175	4.1
71.04993	7.7
71.08631	54.7
73.92576	4.1
75.99912	4.3
78.37067	4.8
79.05496	10.7
81.07079	56.8
82.50198	4.6
83.04990	5.9
83.08621	11.0
84.04099	3.8
85.06514	5.2
85.63432	4.2
91.05486	20.8
93.07043	32.0
95.08623	36.2
97.06554	7.2
97.10188	6.3
99.08102	38.1
105.07052	18.8
107.08591	27.6
109.10167	48.3
111.08077	5.8
119.08577	26.9
121.10126	8.5
123.07992	5.8
123.11671	9.5
126.25633	4.4
131.08527	6.0
133.10136	27.7
135.11691	10.8
139.11182	5.7
143.08545	6.1
145.10193	6.2
147.11707	11.7
149.13269	18.9
151.11185	30.4
159.11714	19.6
161.13234	12.1
163.11168	7.1
173.11748	55.1
177.12651	6.2
179.14351	19.9
229.14275	38.9
259.20392	6.2
269.17435	37.3
277.21542	17.2
351.25314	100.0
369.26245	21.0
420.33334	18.9
438.34451	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	438.306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	7.8
57.03447	10.0
61.99435	3.8
67.05508	54.5
68.39735	3.9
69.07059	7.3
70.47175	4.1
71.04993	7.7
71.08631	54.7
73.92576	4.1
75.99912	4.3
78.37067	4.8
79.05496	10.7
81.07079	56.8
82.50198	4.6
83.04990	5.9
83.08621	11.0
84.04099	3.8
85.06514	5.2
85.63432	4.2
91.05486	20.8
93.07043	32.0
95.08623	36.2
97.06554	7.2
97.10188	6.3
99.08102	38.1
105.07052	18.8
107.08591	27.6
109.10167	48.3
111.08077	5.8
119.08577	26.9
121.10126	8.5
123.07992	5.8
123.11671	9.5
126.25633	4.4
131.08527	6.0
133.10136	27.7
135.11691	10.8
139.11182	5.7
143.08545	6.1
145.10193	6.2
147.11707	11.7
149.13269	18.9
151.11185	30.4
159.11714	19.6
161.13234	12.1
163.11168	7.1
173.11748	55.1
177.12651	6.2
179.14351	19.9
229.14275	38.9
259.20392	6.2
269.17435	37.3
277.21542	17.2
351.25314	100.0
369.26245	21.0
420.33334	18.9
438.34451	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	438.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93587	1.6
55.05518	2.3
55.85117	1.4
56.63649	1.4
61.65439	1.7
67.05505	11.5
68.05862	1.7
69.03421	3.2
69.07066	11.3
71.05008	1.9
79.05510	2.5
81.07050	16.6
83.04994	2.7
83.08623	3.9
84.16593	1.7
85.02904	7.9
91.05501	3.2
93.07061	7.9
95.08602	18.9
96.08942	4.3
97.02888	11.7
97.10118	1.8
105.07029	12.2
106.07310	2.0
107.08623	16.3
108.08952	4.4
109.10162	26.0
110.10500	9.5
111.08111	2.3
119.08592	14.2
120.08878	3.4
121.10154	9.6
122.10474	3.7
123.11697	3.8
125.09673	2.0
127.03954	3.6
131.08601	2.9
133.10143	8.1
134.10501	3.2
135.11728	3.6
139.03896	2.7
143.08530	3.5
145.10136	12.3
146.10420	2.8
147.11690	17.1
148.12025	4.3
149.13242	2.7
150.13664	1.8
155.14325	3.3
157.10146	3.6
158.10448	1.9
159.11708	10.9
160.12079	3.3
161.13271	8.7
162.13640	2.2
163.14857	3.3
165.12854	1.9
170.10501	2.5
171.11679	3.5
173.13223	6.4
173.47636	2.0
174.13612	4.5
175.14879	3.1
176.15204	4.3
184.12074	2.7
185.13293	2.2
187.14780	3.9
188.15158	2.7
189.16426	3.0
200.15170	2.9
201.16359	4.0
202.16806	2.7
213.16373	3.1
217.15918	2.3
218.16216	2.9
232.17731	2.6
240.18420	2.5
278.25919	2.1
322.10931	2.5
346.26318	2.8
385.18698	3.0
402.32166	6.8
406.18060	3.2
420.33423	28.4
438.21289	3.1
438.34470	100.0
445.02521	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	438.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96134	0.3
55.72918	0.3
56.05033	0.7
57.03453	0.3
57.07091	0.3
58.06612	0.5
74.06090	0.5
81.07063	0.4
84.04501	2.5
89.19715	0.4
98.07196	0.4
100.08746	2.0
102.05540	3.8
125.23607	0.3
127.05038	0.4
129.62196	0.4
130.05002	17.4
144.07677	9.3
220.77443	0.4
396.34741	0.5
438.36896	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05046	1.4
56.95271	0.6
57.07078	1.1
63.40787	0.6
63.49343	0.6
70.49339	0.6
77.16349	0.6
81.07032	0.9
84.04518	3.8
85.10147	0.8
89.06023	2.9
96.59036	0.6
100.08729	1.4
102.05544	2.8
106.89523	0.7
108.00135	0.8
117.58028	0.7
121.37277	0.7
126.06734	0.8
130.04997	18.0
144.07681	8.6
179.06105	0.8
239.14906	0.8
421.35150	0.8
438.36926	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26730	0.4
54.48514	0.4
61.22295	0.4
69.03432	0.9
70.06592	1.1
77.24018	0.5
78.10640	0.5
79.13750	0.4
79.83778	0.4
81.03409	0.7
81.07082	0.5
81.07766	0.5
81.41972	0.5
85.02917	0.9
86.09730	0.5
88.74675	0.4
105.07029	0.7
107.08619	0.4
116.07061	0.5
126.82426	0.5
127.03922	0.8
133.48895	0.4
138.94756	0.5
150.88606	0.4
153.09149	0.5
164.64879	0.4
173.03008	0.5
179.38663	0.4
203.05339	0.5
213.12352	2.4
259.14386	0.8
262.70105	0.4
272.57230	0.4
275.07339	2.2
307.11465	2.8
335.09482	8.5
395.20737	0.5
439.15756	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27013	0.6
54.29296	0.4
65.56737	0.5
67.39001	0.5
75.99597	0.4
76.46512	0.5
83.01134	0.8
84.01896	0.6
86.09707	1.0
86.55851	0.5
93.30112	0.5
95.01089	3.5
96.01872	1.0
99.30489	0.5
110.07091	0.5
112.01310	1.9
113.02104	5.3
126.02860	0.7
185.04233	6.8
196.17062	0.5
201.03741	1.3
202.06033	8.0
243.08315	0.8
259.07965	1.0
262.90277	0.7
277.10529	0.6
427.96344	0.6
439.15784	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23800	0.3
51.76656	0.3
53.82578	0.3
54.18691	0.3
60.60550	0.3
62.42337	0.3
70.06595	2.1
72.08172	0.4
73.74526	0.3
81.03426	0.7
86.09703	0.9
109.91155	0.4
120.01070	0.4
129.10323	0.4
136.06168	4.3
137.06551	0.9
158.99605	0.5
177.09827	0.4
227.04965	0.4
237.02733	0.6
274.33109	0.4
307.11429	0.6
309.08722	0.8
439.15759	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1662
Annotation	Quinone C1-1
Peak:m/z	Relative Intensity
58.80209	1.3
74.79597	1.2
84.08111	3.1
87.72630	1.3
97.81264	1.4
110.07173	1.7
127.02385	1.9
129.10188	6.5
133.03416	2.7
143.01860	5.8
145.03439	9.2
152.05634	3.5
155.01932	10.7
157.03436	5.4
161.02890	6.3
168.72890	1.6
171.04912	2.1
173.02951	12.1
175.04401	1.6
185.02924	11.0
187.04408	1.8
189.06055	2.0
197.02914	2.0
201.06009	6.0
203.03894	7.8
217.05464	2.2
219.01672	2.4
221.04997	3.5
222.00616	2.5
231.08566	2.3
245.05042	26.0
249.08014	7.8
257.04871	6.8
265.05774	8.6
265.99527	8.8
267.09045	1.7
277.08932	35.5
291.09238	21.9
303.09244	2.9
393.12137	6.8
439.13910	100.0
452.93130	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	439.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86008	0.5
56.69755	0.6
57.23264	0.6
64.65104	0.6
67.05516	11.6
69.03428	1.2
69.07081	2.8
70.06577	2.8
72.04521	0.7
84.08133	0.9
84.47884	0.6
85.02902	3.7
86.09705	0.9
92.10574	0.7
92.21580	0.7
94.06573	6.3
95.04981	3.0
97.02879	1.6
97.10180	0.9
103.03901	0.6
109.10157	12.6
110.07235	0.6
112.07610	1.4
112.16380	0.6
120.08087	1.3
121.13295	0.7
122.06032	30.5
123.04431	1.2
127.03939	1.5
127.11188	3.0
129.10239	0.7
140.05995	1.6
140.07079	44.3
142.93077	0.7
145.04947	1.2
173.13257	1.3
176.03410	3.1
180.10185	0.9
204.02939	1.0
208.06059	5.1
208.09651	4.6
222.03963	21.2
236.05528	100.0
244.78345	0.7
268.08145	20.2
360.21472	0.8
363.15417	1.0
369.49701	0.8
375.11786	1.7
400.52853	0.7
407.14597	10.7
439.17773	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	439.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.8
62.26885	0.4
63.07608	0.4
67.05508	0.7
69.03431	5.0
69.07058	0.7
77.29473	0.4
79.05482	2.4
81.03407	0.6
81.07058	5.0
83.04974	1.9
85.02907	2.4
87.00832	0.8
89.69837	0.4
91.05469	1.7
93.07047	0.8
95.04951	2.2
95.08572	0.5
97.02865	0.8
103.03963	0.6
103.05441	0.5
105.01849	0.9
105.07013	3.1
107.04981	3.1
107.07925	0.8
107.08593	15.8
108.45136	0.5
108.83743	0.4
109.02872	0.9
109.06539	2.4
109.10155	4.2
119.08580	1.0
121.06530	0.8
121.10146	8.7
122.07252	0.8
123.08032	1.0
127.03910	2.8
131.08585	2.2
133.10129	100.0
135.08084	6.3
135.11685	1.6
137.09618	54.5
143.08563	0.6
145.10123	0.8
147.08070	0.5
147.11671	2.9
149.09644	4.4
149.13264	9.3
163.14816	2.4
173.13261	6.2
177.05408	0.6
189.12724	0.7
191.14301	46.1
207.13705	0.7
213.03911	0.8
222.86470	0.5
231.05003	0.9
233.15248	0.6
377.19571	0.6
403.17334	0.7
421.18594	0.8
439.19528	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	439.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	3.3
55.05521	15.2
57.03448	4.3
57.07079	3.8
67.05504	16.2
69.03436	8.5
69.07079	4.8
70.06599	4.6
71.04987	7.3
75.52761	3.2
79.05489	6.1
81.03437	33.9
81.07059	37.7
83.04973	49.5
83.08600	5.3
85.02915	31.9
85.06537	5.4
87.00856	14.8
91.05483	6.3
93.07081	29.4
95.04979	9.2
95.08603	30.4
97.02898	49.9
97.06525	20.0
99.04446	7.8
105.07062	7.6
105.99774	3.9
107.04968	4.7
107.08592	28.6
109.02869	39.4
109.06526	22.6
109.10172	24.7
111.04457	69.8
111.08073	16.3
117.06986	3.7
119.08617	15.0
120.08163	3.9
121.10153	34.1
123.08106	31.2
123.11721	8.8
125.05981	4.0
125.09630	5.1
127.03909	33.0
131.08588	14.8
133.10103	28.1
135.08084	14.8
135.11650	15.4
136.06267	6.1
137.05936	5.3
137.09590	4.3
140.07027	4.7
145.04974	4.6
145.10127	4.8
147.08054	9.2
147.11777	6.0
149.06062	3.5
149.09628	6.7
149.13312	14.7
151.07533	56.7
154.38928	3.7
159.11682	5.5
161.13287	6.8
163.11163	22.1
163.14836	19.9
165.09103	4.1
171.11604	7.0
173.09546	3.7
173.13240	26.4
175.14798	8.1
189.12756	16.3
191.14331	38.7
200.29346	3.6
207.13844	25.6
209.15366	15.3
213.04005	6.2
241.21600	17.9
277.23663	4.3
302.10184	4.8
317.17450	6.5
324.88998	4.1
357.21768	4.5
421.18512	9.1
439.14865	10.6
439.19699	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	439.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.3
57.03448	2.2
62.16047	0.7
67.05511	63.1
69.03432	10.4
69.07067	1.4
70.06590	4.5
71.04977	1.1
72.08157	4.5
81.07068	5.5
82.62414	0.8
83.08617	8.8
84.08140	3.8
85.02903	9.5
85.06546	21.9
85.74458	0.9
86.09693	5.4
87.04465	8.3
87.09422	0.9
89.49223	1.1
97.02906	9.6
97.52193	0.8
109.10162	100.0
110.07189	1.1
115.03925	8.7
115.29753	0.9
120.08061	1.6
126.12782	6.1
127.03946	1.3
127.11195	53.7
129.10175	1.0
133.04974	5.9
136.07597	6.3
147.04433	1.9
314.08850	1.2
345.33878	1.1
430.53448	1.1
439.15710	5.8
439.21304	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	439.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16714	0.6
62.27618	0.7
67.05512	3.1
70.45088	0.7
72.54037	0.6
81.07052	1.8
93.07043	2.9
95.08604	3.6
105.07059	1.3
107.08586	3.1
109.10181	3.1
119.08572	1.2
121.10121	1.1
147.11717	1.0
159.11676	0.9
201.16425	0.9
217.24611	0.8
267.09113	1.2
285.10178	1.2
299.11682	1.5
341.12912	3.9
439.26685	100.0
439.35254	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	439.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61684	0.4
67.05516	1.0
69.07055	1.4
71.04991	1.1
74.05962	0.6
78.62015	0.6
79.05495	0.8
81.07072	4.5
83.08636	1.3
89.35311	0.6
91.05495	1.2
93.07047	3.9
95.08604	5.8
95.16167	0.5
97.10181	0.7
97.38540	0.7
105.07059	2.9
107.08589	5.7
109.10155	8.0
111.08097	0.8
119.08568	4.8
121.10140	5.1
123.11734	2.2
125.09575	0.6
127.11197	0.6
131.08554	1.2
133.10146	3.0
135.11717	2.5
139.11209	0.7
145.10152	2.2
147.11737	3.8
149.13286	2.6
151.11140	0.6
157.10149	0.9
159.08954	0.6
159.11752	3.0
161.13295	3.0
163.14908	1.0
171.11725	0.9
173.13258	1.1
175.14885	3.0
177.16351	1.4
183.11693	0.7
185.13286	1.4
187.14850	3.8
189.16470	2.2
197.13252	0.9
199.14885	1.1
201.16437	2.5
203.17998	1.2
211.14981	0.8
215.18045	1.0
217.15993	0.6
225.16380	0.7
228.65280	0.8
240.01541	0.6
245.18925	0.7
255.21088	0.9
271.20868	0.7
273.38608	0.6
305.12442	0.7
337.16415	0.7
351.57748	0.6
421.34567	8.3
439.26791	100.0
439.35706	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	439.2664
Annotation	(-)-Fusicoplagin A
Peak:m/z	Relative Intensity
50.61684	0.4
67.05516	1.0
69.07055	1.4
71.04991	1.1
74.05962	0.6
78.62015	0.6
79.05495	0.8
81.07072	4.5
83.08636	1.3
89.35311	0.6
91.05495	1.2
93.07047	3.9
95.08604	5.8
95.16167	0.5
97.10181	0.7
97.38540	0.7
105.07059	2.9
107.08589	5.7
109.10155	8.0
111.08097	0.8
119.08568	4.8
121.10140	5.1
123.11734	2.2
125.09575	0.6
127.11197	0.6
131.08554	1.2
133.10146	3.0
135.11717	2.5
139.11209	0.7
145.10152	2.2
147.11737	3.8
149.13286	2.6
151.11140	0.6
157.10149	0.9
159.08954	0.6
159.11752	3.0
161.13295	3.0
163.14908	1.0
171.11725	0.9
173.13258	1.1
175.14885	3.0
177.16351	1.4
183.11693	0.7
185.13286	1.4
187.14850	3.8
189.16470	2.2
197.13252	0.9
199.14885	1.1
201.16437	2.5
203.17998	1.2
211.14981	0.8
215.18045	1.0
217.15993	0.6
225.16380	0.7
228.65280	0.8
240.01541	0.6
245.18925	0.7
255.21088	0.9
271.20868	0.7
273.38608	0.6
305.12442	0.7
337.16415	0.7
351.57748	0.6
421.34567	8.3
439.26791	100.0
439.35706	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	439.3055
Annotation	3beta-(3-methyl-butanoyloxy)-villanovane-13alpha,17-diol
Peak:m/z	Relative Intensity
53.42689	1.1
55.01882	1.7
55.05502	2.2
56.65296	1.0
57.03436	1.7
57.07085	14.2
67.05515	11.8
69.07075	11.1
71.05022	1.1
79.05490	5.0
81.07069	15.0
83.04998	2.4
83.08633	3.1
83.85658	1.2
85.06551	11.0
91.05474	3.1
93.07069	13.4
95.08617	15.7
97.06528	2.3
97.10105	1.3
105.07063	5.9
107.08598	13.7
109.06522	10.4
109.10159	13.3
111.04434	2.9
119.08565	9.8
121.10156	8.7
123.08089	9.6
123.11677	2.8
125.06017	2.5
131.08562	3.0
133.10120	6.6
135.08051	10.9
135.11696	7.5
137.05988	26.3
137.13260	1.5
143.08615	1.6
145.10170	2.9
147.11691	4.9
149.09657	5.6
149.13313	5.0
151.07574	3.0
151.11139	1.8
157.10114	1.2
159.11739	2.8
161.09613	2.9
161.13255	5.5
163.11180	2.3
163.14720	1.4
165.12758	10.1
166.25896	1.3
171.11729	2.3
173.09753	1.2
173.13243	2.5
175.11198	3.0
175.15118	1.4
177.12750	7.4
177.16214	1.6
179.10657	1.6
179.14331	2.0
185.13145	1.4
191.14297	1.5
193.12286	5.8
207.13849	6.4
212.23730	11.6
222.16475	1.3
233.19066	2.2
237.99805	1.3
240.23120	1.8
253.19139	1.2
263.20044	5.0
268.26312	26.3
305.24921	2.0
319.26413	10.7
327.62332	1.2
347.25772	73.0
365.27063	10.4
393.30188	1.6
394.21060	1.4
411.30637	2.6
421.29477	64.9
439.30444	100.0
439.38846	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	439.3566
Annotation	Demethylphylloquinol
Peak:m/z	Relative Intensity
50.10928	1.6
54.55566	1.3
55.05519	3.9
64.35868	1.5
67.05501	15.5
69.07072	7.5
70.36651	1.7
71.08599	1.7
79.05495	4.5
81.07064	26.6
83.08625	2.1
89.72701	2.0
90.02200	1.8
91.05495	3.9
93.07053	16.6
95.08607	45.3
97.06573	1.6
97.10132	3.0
99.08139	2.0
105.07013	15.5
107.08608	33.2
109.06562	2.0
109.10165	55.7
111.08064	1.9
117.07086	1.6
119.08606	24.9
121.10138	29.0
122.76392	1.7
123.08057	3.7
123.11712	10.8
125.09653	3.8
131.08589	3.1
133.10112	18.4
135.08073	3.0
135.11699	18.4
137.09628	2.7
142.56842	1.7
145.10136	18.4
147.11708	23.2
149.13255	15.3
156.04375	2.0
157.10170	8.5
159.11687	22.8
161.09532	1.9
161.13263	21.7
163.11226	2.4
163.14822	11.3
171.11707	8.2
173.13274	12.0
175.11218	4.0
175.14792	12.8
177.12794	1.8
177.16393	6.9
185.13263	8.3
187.14841	10.9
189.16411	9.8
199.14839	4.2
201.16414	19.5
203.17958	9.2
207.21237	2.0
213.16374	3.9
215.18025	6.6
217.15927	3.4
219.17332	2.2
227.18015	2.7
231.17520	7.1
237.16385	2.2
239.17809	2.2
253.19464	2.2
255.21106	2.4
259.20755	2.1
303.30289	2.0
365.32242	2.8
381.31451	2.6
403.33917	7.6
415.94489	2.1
421.34708	39.2
439.35709	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00325	3.1
53.03923	3.3
54.20419	2.9
54.28194	3.0
55.05512	8.2
67.05503	20.8
69.03419	4.4
69.07066	25.5
71.04992	9.2
79.05495	17.3
81.07065	52.3
83.08633	8.4
91.05453	15.7
93.07020	40.2
95.08611	54.2
96.16439	3.4
97.06516	5.4
98.91180	3.6
99.08087	3.9
105.07047	32.2
107.08599	55.8
109.10167	88.5
119.08620	37.6
121.10149	54.9
123.08102	6.1
123.11716	25.7
125.09591	16.3
127.11200	29.7
131.08560	14.0
133.10132	38.8
135.11687	47.0
143.08595	5.9
143.10649	5.6
145.10130	24.9
147.11697	32.3
149.13258	20.4
151.11165	4.3
157.10123	9.0
159.11700	31.9
161.13264	23.3
171.11729	5.8
173.13252	18.2
175.14915	7.3
177.16415	15.3
185.13374	6.7
187.14783	8.1
199.14853	7.1
201.16458	7.9
203.18083	7.7
211.14897	4.0
213.16379	8.7
215.17944	8.1
218.59132	3.9
403.33377	8.1
421.34668	46.8
439.35730	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	10.7
57.07077	3.4
67.05499	12.7
69.07069	56.5
71.04982	5.3
72.52501	2.9
74.44448	2.4
79.05478	12.1
81.07062	61.3
83.08608	13.7
83.17049	2.7
87.29401	2.6
89.85427	3.1
90.75951	2.6
91.05473	5.4
93.07049	34.4
95.08606	50.9
97.06537	4.4
99.08120	6.0
105.07018	20.5
107.08605	53.8
109.10146	46.3
116.04173	2.8
119.08567	26.2
121.10137	38.3
123.11700	17.9
125.09649	6.4
131.08578	6.8
133.10143	16.7
135.11691	18.6
137.13289	3.7
137.97057	2.8
143.08539	5.7
145.10123	20.1
147.11690	20.8
149.13243	18.9
150.09131	3.0
157.10124	5.6
159.11702	17.7
161.13240	11.8
163.14796	3.3
171.11658	12.2
173.13213	5.1
175.14850	11.1
177.16376	13.1
185.13318	4.3
187.14789	4.2
189.16306	3.7
197.13182	3.1
199.14845	4.9
201.16287	4.9
203.17940	3.2
211.14812	5.7
213.16502	5.7
224.44742	2.9
227.17917	4.6
229.19342	2.9
239.17804	3.2
251.17946	2.9
271.20297	2.8
279.21048	3.8
293.22702	2.8
297.22311	3.5
308.79294	2.7
335.26758	3.5
382.38028	3.3
390.18298	3.0
421.34616	41.6
439.35825	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	439.3567
Annotation	Demethylphylloquinol
Peak:m/z	Relative Intensity
50.86642	1.5
53.16270	1.4
53.77048	1.3
62.45137	1.5
67.05499	4.0
69.07072	6.7
71.04984	10.6
79.05505	2.2
81.07073	12.8
83.08643	3.8
86.56973	1.7
91.05453	1.7
91.63820	1.9
93.07047	10.7
95.08613	21.8
97.10201	6.4
105.07047	3.7
107.08617	17.6
109.10150	32.9
119.08591	13.2
121.10143	12.0
123.11710	10.4
127.11203	15.2
131.08568	8.1
133.10118	10.6
135.11714	14.7
137.13336	7.1
141.12764	2.4
145.10143	15.6
147.11691	13.3
149.13255	8.3
157.10110	6.9
159.11682	10.1
161.13324	14.6
171.11653	4.1
173.13214	12.8
175.14850	10.7
179.65332	2.0
185.13263	12.1
187.14763	15.6
189.16365	2.6
199.14812	4.3
201.16437	13.2
203.14284	3.9
203.17978	2.7
213.16405	2.5
225.16405	3.2
227.17944	1.9
239.17937	3.5
253.19473	3.8
271.20447	1.8
352.93561	2.1
415.25562	2.4
421.34671	31.6
439.35696	100.0
451.12540	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	439.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35190	3.4
55.05518	4.7
56.78639	3.4
62.50991	3.4
67.05500	16.6
69.07060	20.2
79.05493	4.9
81.07066	30.6
83.08610	6.8
93.07033	17.4
95.08609	37.3
105.07068	5.3
107.08580	27.3
109.10165	73.0
119.08560	6.3
121.10120	37.0
131.08617	4.2
133.10132	17.5
135.11708	8.8
145.10124	16.3
147.11670	19.0
149.13210	5.2
157.10132	4.9
159.11665	20.0
161.13242	16.6
163.14783	5.5
171.11711	5.1
173.13214	7.2
177.16348	9.1
185.13297	6.8
187.14780	8.4
211.14833	5.3
213.16345	8.8
241.19643	4.6
281.22614	17.6
293.22754	4.9
293.25937	4.9
299.23682	18.4
311.23608	4.9
344.35538	4.7
365.28345	5.9
383.29645	6.5
403.33398	6.2
421.34625	40.2
439.35632	100.0
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	Demethylphylloquinol
Peak:m/z	Relative Intensity
55.05520	3.1
55.34169	2.3
56.10976	2.1
67.05500	6.0
68.48754	2.3
69.07051	6.6
81.07066	20.8
83.08600	4.4
93.07064	19.9
93.14908	2.8
95.08600	64.8
105.07050	15.4
107.08600	29.2
109.10149	28.6
111.08086	12.4
119.08573	31.0
121.10155	25.7
123.11687	18.8
125.09670	3.9
127.11236	2.9
129.53186	2.5
131.08554	4.0
133.10117	18.3
135.11728	23.7
135.12581	3.0
139.11188	14.8
145.10101	14.8
147.11641	21.3
149.13269	19.5
157.10106	5.5
159.11691	26.9
161.13242	25.3
163.11160	4.1
163.14835	11.6
171.11679	13.0
173.13234	14.3
175.14816	22.0
177.16386	13.0
185.13246	5.0
187.14841	16.4
189.16422	12.6
197.13245	3.4
199.14780	4.2
201.16463	23.2
203.17987	5.7
205.15820	4.3
213.16356	11.9
215.17906	22.0
217.19450	3.1
219.17392	11.2
227.17863	18.9
233.19145	3.6
245.19003	11.0
253.19337	3.1
259.20535	2.9
273.22028	4.5
381.31738	4.6
409.34521	5.0
421.34616	33.2
437.47418	3.1
439.35712	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3571
Annotation	Demethylphylloquinol
Peak:m/z	Relative Intensity
50.05843	1.0
54.57737	1.0
55.05513	3.2
57.07079	2.6
67.05515	17.7
69.03442	1.9
69.07080	14.8
71.05011	1.5
79.05495	3.2
81.07070	21.9
83.04990	1.8
83.08647	2.4
91.05482	2.7
93.07056	12.1
95.08610	35.7
97.10165	2.2
105.07037	13.2
107.08591	33.1
109.10167	71.0
111.11721	2.1
114.32858	1.6
117.06988	1.4
119.08591	19.6
121.10163	22.3
123.11693	13.6
125.09624	6.2
127.11175	2.9
131.08598	6.8
133.10135	14.9
135.08093	1.5
135.11711	14.3
137.13327	2.8
143.08534	2.3
145.10158	14.8
146.75725	1.7
147.11693	17.2
149.13252	13.0
151.14922	1.5
153.83850	1.5
157.10152	8.7
159.11668	18.7
161.13271	26.0
163.14784	11.3
167.94102	1.4
171.11696	7.5
173.13307	15.7
175.14793	10.3
177.16422	5.3
182.26154	1.4
183.11601	1.6
185.13289	6.2
187.14761	11.9
189.16328	5.4
197.13332	5.6
199.14825	8.3
201.16397	14.6
203.14328	1.4
203.17958	2.3
211.14758	1.9
213.16422	5.8
215.17889	10.6
217.15822	1.8
217.19528	5.5
219.17363	1.8
225.16423	2.6
227.17955	3.2
229.19640	1.8
231.17529	1.9
233.19220	1.9
239.17912	2.7
241.19528	2.6
253.19389	1.6
255.21010	2.4
267.21008	2.1
279.21292	1.3
381.31830	1.7
393.35187	1.8
403.33453	6.7
421.34656	32.6
439.26990	11.1
439.35709	100.0
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	Demethylphylloquinol
Peak:m/z	Relative Intensity
50.08048	0.8
50.10900	0.9
52.88647	0.9
55.05510	1.8
66.78966	0.9
67.05509	14.8
69.03452	1.4
69.07083	11.3
79.05506	2.4
81.07065	18.1
83.08630	4.8
85.06541	1.5
91.05457	1.1
92.21030	2.2
93.07038	9.1
95.08612	19.1
97.10190	3.7
105.07049	8.5
107.08591	19.5
109.10161	61.6
111.08086	4.0
117.07025	1.2
119.08614	12.8
121.10147	15.7
123.08131	1.9
123.11683	9.8
125.09650	1.5
127.11199	1.1
131.08614	5.0
133.10127	14.2
135.11687	10.6
143.08597	1.7
145.10159	9.6
147.11696	14.4
149.13228	9.1
157.10159	4.3
159.11705	13.3
159.17163	0.9
161.13257	12.1
163.14879	4.8
169.10149	1.3
171.10464	1.4
171.11688	9.7
173.13289	11.8
175.14806	15.0
177.12756	1.0
177.16438	5.4
179.14355	1.2
183.11705	2.1
185.13298	5.4
187.14781	11.2
189.16411	5.9
190.35803	1.1
191.14676	1.3
193.15778	1.3
197.13295	2.0
199.14871	4.0
201.16441	5.5
203.18028	2.0
211.14905	1.9
213.16484	3.9
213.19974	1.1
215.18031	6.2
219.17488	1.6
223.14999	1.3
225.16458	4.3
227.17998	3.9
229.19640	5.1
231.17476	1.6
233.19081	3.9
239.17909	1.8
241.19585	4.2
245.19211	1.3
248.18399	1.0
251.52885	1.0
253.19402	1.2
255.21165	4.7
259.20773	1.4
271.20767	1.6
273.22385	1.3
279.21042	1.7
281.22766	2.3
299.23822	1.0
321.26050	1.1
324.84143	1.2
327.38800	1.0
363.30255	1.3
381.31677	2.1
385.16476	1.0
403.33575	7.3
421.34680	32.1
439.26416	4.9
439.35788	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	439.3569
Annotation	Demethylphylloquinol
Peak:m/z	Relative Intensity
51.97447	3.0
55.05513	3.5
59.95562	3.2
67.05502	6.8
69.07059	4.3
79.05475	6.1
81.07063	43.4
91.05462	8.2
93.07037	25.4
95.08611	50.0
105.07043	36.5
107.08607	40.3
109.10162	30.1
118.35973	3.8
119.08602	37.7
121.10123	32.9
123.11697	21.5
131.08533	7.5
133.10133	38.5
135.11668	24.9
145.10123	19.7
147.11685	34.5
149.13264	18.1
150.95799	3.2
151.11133	6.0
157.10071	4.1
159.11691	24.0
159.26448	3.7
161.13225	16.5
163.14719	3.9
171.11681	4.3
173.13281	14.7
175.14839	15.8
185.13216	8.7
187.14806	14.1
189.16406	6.3
201.16356	4.3
203.17865	6.6
213.16368	6.2
215.17917	8.8
227.17859	6.2
230.60403	3.4
254.01434	3.6
255.21130	5.7
257.22580	7.5
263.63541	3.5
272.80438	4.0
274.37030	4.4
281.22733	3.8
311.84921	3.7
312.41486	4.4
336.61853	4.4
380.87396	3.9
381.31250	6.4
421.34576	31.6
439.35577	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	439.3569
Annotation	Demethylphylloquinol
Peak:m/z	Relative Intensity
53.00330	0.5
55.05516	4.2
57.03439	0.6
57.07079	3.1
59.04994	1.2
64.82449	0.6
67.05517	6.6
69.03414	1.1
69.07073	13.1
70.06605	0.6
71.05002	10.2
79.05508	3.4
80.44032	0.7
81.07063	17.3
83.05003	1.2
83.08635	6.0
84.08144	0.7
85.02898	1.1
86.03387	0.6
86.67009	0.6
91.05489	4.2
93.07040	11.7
95.08609	28.8
95.58775	0.7
97.02861	0.7
97.06525	1.4
97.10168	5.9
99.08092	3.7
105.07040	11.0
107.08598	24.3
109.10159	44.5
111.08064	1.0
111.11731	1.2
117.07008	3.2
119.08578	21.2
121.10146	23.0
123.08084	1.4
123.11710	16.4
125.09639	3.9
127.03917	0.7
127.11192	20.0
129.06993	2.9
131.08551	8.7
131.54887	0.7
133.10135	18.1
133.11049	1.1
135.08025	1.1
135.11688	14.0
137.09613	1.4
137.13269	3.8
141.07053	0.8
141.12785	5.1
143.08591	7.8
143.10670	1.4
145.10118	16.6
145.11203	0.8
147.11696	16.7
149.09656	0.7
149.13251	12.5
151.11223	2.8
151.14851	1.2
155.08545	0.8
157.10112	11.3
159.10463	1.3
159.11700	18.7
161.09705	1.0
161.13245	15.1
163.11246	1.1
163.14865	7.0
165.12830	1.2
169.10143	3.8
171.11673	10.8
173.09663	0.8
173.13243	16.2
173.14621	0.7
175.11177	0.8
175.14810	10.1
177.12794	0.7
177.16393	3.1
179.14398	0.9
183.11644	5.8
185.13258	23.2
187.14833	16.3
189.16357	5.6
191.14374	1.7
191.18048	1.0
195.11702	0.9
197.13300	4.6
199.14857	10.7
201.16405	10.1
203.14395	3.4
203.17992	4.4
209.13304	1.1
211.14902	4.7
213.16353	6.8
215.17966	4.4
217.15889	1.2
217.19618	1.4
219.17477	0.9
223.14780	1.6
225.16365	5.5
227.17940	8.3
229.19545	2.9
231.21010	0.7
237.16425	1.4
239.17949	5.9
241.19516	1.6
243.17238	1.2
243.21062	1.1
245.18983	3.1
253.17223	0.7
253.19479	6.6
255.20898	2.5
257.19116	0.8
261.87881	0.7
267.21262	1.6
269.19016	0.6
269.22736	1.1
279.21149	1.1
281.22678	3.1
285.22067	1.2
293.22577	1.0
294.23489	1.3
295.24149	3.5
297.22186	0.9
299.23831	1.0
313.25348	1.2
335.27274	1.0
339.26746	1.0
341.28125	0.8
403.33652	4.3
411.36404	0.9
421.34647	34.6
439.23053	3.3
439.35712	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14475	2.3
55.05510	4.2
58.13613	1.8
59.77663	1.9
67.05504	19.2
67.50015	2.1
69.07063	15.7
69.23769	2.2
71.08653	2.2
79.05486	9.5
81.07076	24.9
83.05007	2.6
83.08623	9.9
91.05505	3.5
93.07044	15.5
95.08609	33.7
97.10180	2.5
105.07073	3.7
106.57259	2.9
107.08584	24.2
109.10168	76.9
119.08549	18.6
121.10139	44.5
123.08074	2.4
123.11695	14.6
125.09646	2.3
128.06532	2.0
131.08589	5.4
133.10158	13.5
135.11703	19.6
137.13240	3.5
143.08554	4.2
145.10188	18.7
147.11703	14.6
149.13275	11.8
151.49719	2.6
157.10141	10.5
159.11682	12.9
161.13223	11.0
163.14749	4.3
169.10165	4.7
171.11685	12.8
173.13255	14.0
175.14874	3.0
177.16389	17.7
183.11691	5.7
185.13257	13.9
187.14819	13.4
189.16444	3.4
197.13255	2.5
199.14836	10.4
201.16293	5.1
211.14769	8.9
213.16396	13.1
215.17972	2.6
225.16350	3.4
227.17863	3.4
239.17966	5.5
253.19501	2.9
255.21057	4.1
257.19147	2.6
265.19342	3.4
281.22638	21.2
283.17047	2.4
297.21918	3.0
299.23593	12.6
309.13306	2.3
383.29318	11.1
395.88177	2.7
403.33932	7.4
421.34634	33.6
439.35745	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3569
Annotation	Demethylphylloquinol
Peak:m/z	Relative Intensity
52.28582	1.2
55.05518	3.5
57.07086	2.8
61.02894	1.2
65.20434	1.3
67.05507	8.4
68.66739	1.3
69.07085	10.9
69.78552	1.2
71.04990	14.1
77.34441	1.4
79.05492	5.5
81.07063	11.1
81.74577	1.3
83.05005	1.7
83.08644	3.4
85.06590	1.3
91.05476	2.7
93.07051	10.5
95.08614	28.8
97.06535	2.2
97.09509	1.2
97.10182	1.7
99.08063	1.6
99.94534	1.4
105.07043	18.0
107.08592	22.1
109.06526	1.6
109.10165	36.7
114.78276	1.3
117.07027	2.2
118.06584	1.4
119.08575	22.7
121.10124	21.2
123.11715	17.8
125.09635	5.6
127.11210	21.4
131.08562	10.0
133.06508	16.7
133.10138	20.4
135.08070	2.3
135.11696	24.8
137.09619	1.9
137.13228	2.1
141.12753	5.9
143.08582	5.9
145.10120	22.0
147.11681	24.3
149.09608	1.9
149.13269	7.8
151.11223	2.8
153.12595	1.6
155.02757	2.9
156.03656	2.9
157.10158	10.6
158.99625	2.0
159.08057	1.9
159.11688	25.3
161.13240	20.4
163.11182	1.9
163.14827	5.8
169.10143	3.5
171.11690	11.7
173.13249	13.3
175.11215	1.9
175.14836	7.6
177.09100	6.7
177.12770	2.1
182.03325	2.4
183.11661	3.2
185.13297	16.4
187.14856	17.6
189.16321	14.1
191.18013	1.6
197.13307	2.7
199.14864	11.8
201.16367	19.4
203.14313	1.7
203.17937	6.2
211.14777	3.0
213.16432	7.2
215.17961	5.3
219.05190	1.7
223.14888	1.8
227.18004	5.6
228.05917	1.6
233.19031	1.6
239.17990	3.3
251.17926	2.0
253.19489	2.7
267.21124	5.3
279.20871	1.5
335.27252	1.8
361.28760	1.6
403.33606	1.7
421.34662	35.2
433.52420	1.9
439.19131	20.8
439.28918	9.8
439.35727	100.0
439.69366	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	439.3572
Annotation	Demethylphylloquinol
Peak:m/z	Relative Intensity
53.00317	1.2
55.05512	2.3
57.07057	2.0
63.53839	1.2
67.05515	20.9
69.07069	10.4
71.04983	5.9
72.47713	1.3
78.67069	1.1
79.05460	2.4
80.44446	1.3
81.07059	23.1
83.04965	1.7
83.08616	3.0
91.05473	2.2
93.07039	11.8
95.04979	1.3
95.08612	27.3
96.59232	1.4
97.10156	1.8
99.08031	1.2
104.00988	1.3
105.07042	9.5
107.08600	21.5
109.10153	57.9
109.10904	2.0
111.08096	1.7
119.08572	14.4
121.10152	25.0
123.08080	2.2
123.11693	7.9
127.11174	6.9
131.08569	7.2
132.56807	1.4
133.10129	14.6
135.08044	2.3
135.11707	12.5
137.13272	2.9
143.08585	6.6
145.10138	15.1
147.11705	14.3
149.09581	1.5
149.13254	6.2
155.08559	2.2
157.10095	6.8
159.11708	12.0
161.13269	8.4
161.74216	1.5
163.14745	1.8
169.10124	1.4
171.11662	10.7
173.13295	10.0
175.14766	9.2
177.16350	4.8
183.11662	3.2
185.13242	8.3
185.52502	1.4
187.14796	9.2
189.16447	5.7
191.17978	1.7
197.13231	6.2
199.14828	9.5
201.16417	8.8
203.14452	1.6
203.17966	1.5
205.16008	1.8
211.14806	6.9
213.16370	2.5
215.14500	1.6
215.17940	2.1
225.16312	2.6
227.17982	2.9
237.16414	1.8
239.17921	7.5
241.19637	1.9
253.19412	5.0
255.20970	2.6
257.19156	1.5
267.21033	2.9
271.20541	2.5
273.22018	1.9
295.24222	1.7
311.23624	2.5
365.28305	1.8
403.33380	1.9
421.34650	31.0
439.21213	22.7
439.27698	4.6
439.35645	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	2.7
57.07076	1.7
67.05510	8.7
69.07080	12.2
71.04981	13.4
73.49412	1.6
79.05498	2.7
81.07076	14.3
83.08611	4.1
91.04705	1.6
91.05467	2.6
93.07043	12.2
95.08612	24.3
97.06505	3.2
97.10155	2.4
99.08114	2.0
105.07005	3.5
105.80390	2.0
107.08601	16.1
109.10155	41.0
117.06992	2.1
119.08582	15.3
121.10156	19.5
123.11707	15.5
125.09629	2.8
127.11192	21.5
129.06886	1.9
131.08571	8.4
133.10106	12.0
135.11703	12.5
137.13220	4.1
141.12793	3.6
143.08565	3.9
145.10092	12.3
147.11707	14.8
149.13248	7.1
157.10123	8.5
159.11717	14.1
161.13272	12.7
163.14767	2.7
169.10069	2.1
171.11667	9.4
173.13284	12.7
175.14774	8.0
177.16394	3.8
183.11519	2.7
185.13313	12.7
187.14803	12.1
189.16435	2.2
197.13272	2.5
199.14821	8.6
201.16396	7.2
203.17912	2.5
211.14832	2.5
213.16400	3.6
215.17958	2.0
221.12903	1.8
225.16418	3.5
227.17897	4.1
232.47058	2.0
239.17998	2.5
245.19002	2.7
253.19536	3.4
257.47873	1.7
283.15900	2.1
403.33176	2.7
421.34692	31.3
439.35770	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3572
Annotation	Demethylphylloquinol
Peak:m/z	Relative Intensity
55.05508	6.6
57.03445	1.9
57.23587	1.4
60.99910	1.0
65.81639	1.2
67.05506	18.0
69.07068	11.5
71.04993	2.1
78.11005	1.2
79.05482	6.8
81.06612	1.9
81.07061	33.4
83.04973	2.3
83.08631	4.8
85.06523	1.9
91.05486	6.9
92.20912	1.4
93.07040	20.2
93.36590	1.1
95.04955	1.5
95.08608	48.4
97.06554	2.4
97.10165	2.5
99.08060	1.4
102.65334	1.1
105.07007	16.6
107.08592	39.5
109.06525	1.3
109.10154	70.5
111.08071	1.5
111.11700	1.3
115.96394	1.2
117.06985	1.7
119.08567	24.6
121.10132	29.8
123.08084	2.2
123.11713	12.1
125.09617	2.7
127.11193	1.3
129.06979	1.9
131.08580	5.7
133.10127	20.8
135.08066	2.6
135.11697	21.3
137.09578	1.4
137.13231	1.3
143.08556	2.7
145.10130	15.3
147.08037	1.3
147.11674	22.8
149.09616	1.8
149.13257	13.3
151.11143	2.0
157.10138	7.1
159.11682	24.0
161.13226	29.3
163.14790	8.7
169.10110	1.3
171.11682	6.3
173.13214	15.7
175.14798	15.6
177.12807	4.9
177.16348	8.3
183.11769	2.6
185.13229	7.0
187.14830	17.2
189.12735	1.8
189.16327	12.5
191.17825	1.1
197.13277	2.7
199.14810	9.6
201.16371	24.4
203.14491	1.4
203.17947	20.2
205.15814	2.3
211.14809	2.4
213.16425	6.2
215.17981	5.7
217.15933	2.2
217.19502	1.7
219.17555	1.9
225.16391	2.8
227.17970	2.5
231.17497	2.7
239.17982	1.7
255.21048	6.9
359.04486	1.3
363.30511	4.9
365.32065	8.1
403.33466	7.5
421.34570	39.6
439.35678	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	7.8
56.94078	1.0
57.07066	2.5
59.07769	1.1
65.03937	0.9
67.05503	14.8
69.07053	10.7
69.16279	1.0
73.27282	1.1
79.05499	11.0
81.07062	46.7
83.04981	2.1
83.08618	6.9
85.06545	2.7
91.05463	11.1
93.07045	32.9
95.04960	1.9
95.08610	51.2
96.84682	1.2
97.06533	5.0
97.10168	2.9
100.43023	1.2
105.07037	31.5
107.08599	44.3
109.06538	5.2
109.10162	39.6
111.08060	2.6
111.11762	1.4
112.99997	1.4
119.08583	31.5
121.10142	33.2
123.08087	1.6
123.11719	17.5
125.09642	1.4
131.08559	14.1
133.10123	35.2
133.11044	2.0
135.08086	1.6
135.11694	23.0
137.09619	2.1
137.13289	2.5
141.09149	1.2
143.08595	6.0
145.10124	25.2
147.11682	31.0
149.13266	18.8
151.11195	2.4
157.10109	8.4
159.11687	24.0
161.13257	18.5
163.11211	1.7
163.14857	7.9
165.12776	3.0
169.10110	1.2
171.11711	6.3
173.13226	21.8
175.14833	16.4
177.16376	5.5
183.11673	2.0
185.13246	9.9
187.14861	13.9
189.16397	12.5
193.15904	1.8
197.13310	2.6
199.14833	13.1
201.16418	12.7
203.17903	4.2
211.14839	2.4
213.16353	9.3
215.17969	11.3
217.19638	3.0
225.16409	4.6
227.17946	10.7
228.18810	2.5
229.19543	7.4
239.17946	1.6
241.19557	4.9
253.19513	1.5
255.21170	6.3
257.22568	4.4
267.21005	2.6
269.22824	1.5
273.22208	1.4
281.22653	2.0
283.24182	5.3
295.24374	1.9
347.26022	4.9
363.30478	2.1
381.31534	9.8
403.33746	5.1
421.29617	3.5
421.34567	28.4
439.30920	3.7
439.35782	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3573
Annotation	Demethylphylloquinol
Peak:m/z	Relative Intensity
55.05505	3.9
61.20718	2.7
62.03651	2.4
67.05513	7.4
69.07075	6.4
71.05008	6.1
79.05483	4.6
81.07059	20.6
81.50993	3.3
83.08600	12.5
85.06551	3.7
86.86257	3.1
93.07028	7.5
95.08605	46.2
97.10171	4.0
105.07034	20.5
107.08582	20.8
109.10163	44.9
111.08086	4.8
117.07074	4.1
119.08592	20.8
121.10142	24.1
123.11716	15.4
125.09630	3.1
127.11186	4.7
131.08611	7.4
133.10152	22.4
135.11699	16.8
137.09645	4.0
139.11212	4.8
143.08534	3.4
145.10114	19.0
147.11696	18.5
149.13257	7.0
154.62085	3.3
157.10124	5.9
159.11655	21.8
161.13266	17.6
163.14842	12.6
171.11697	6.9
173.13304	23.9
175.14821	7.1
177.12886	3.3
177.16452	7.1
178.14227	2.9
185.13231	16.8
187.14883	6.3
189.16383	5.1
191.18098	3.1
193.16109	3.3
197.13362	4.1
199.14789	4.8
201.16440	14.5
203.18008	3.8
205.15886	4.6
213.16266	4.3
215.17999	4.2
229.19572	3.0
231.17339	3.4
231.79662	3.5
250.07115	4.0
267.21085	3.6
328.65112	3.3
407.22742	6.0
421.34424	21.2
439.23065	36.3
439.35703	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.9
57.07067	1.9
62.19555	1.5
67.05505	7.6
69.07063	10.0
71.05002	10.8
79.05487	2.4
81.07051	14.6
81.07443	1.4
83.08636	3.5
91.05489	3.8
93.07027	10.6
95.08603	24.9
95.79431	1.4
97.06570	1.5
97.10178	3.2
99.08067	2.7
105.07058	10.9
107.08610	18.4
109.10163	27.0
115.62598	1.6
119.08566	11.4
121.10143	16.7
123.11690	14.0
125.09578	3.6
126.83202	1.8
127.11211	19.9
131.08577	10.2
133.10127	15.3
135.11742	11.1
137.13272	2.9
141.12740	7.0
143.08589	6.8
143.10664	6.7
145.10085	13.3
147.11694	14.1
149.13269	8.2
151.11113	2.7
155.08414	1.7
157.10081	6.5
159.11681	15.0
161.13263	13.3
163.14856	2.7
169.10080	3.8
171.11678	7.8
173.13258	12.9
175.14798	8.1
177.12680	1.7
183.11682	7.2
185.13274	20.2
187.14792	14.4
189.16431	3.3
194.80139	1.6
197.13184	2.4
197.72972	1.6
199.14819	8.6
201.16403	8.9
203.17891	1.6
209.13281	2.8
211.14847	3.2
213.16394	6.0
215.17976	2.5
222.49197	1.7
225.16319	3.9
227.17923	3.7
239.17918	3.6
245.18921	1.8
253.19666	6.4
255.21082	2.2
293.10016	1.9
294.23404	2.5
322.10223	3.6
336.12299	3.5
337.12482	16.3
377.12451	2.4
403.33731	2.1
421.34680	32.4
439.23416	54.8
439.29028	5.7
439.35648	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	5.3
57.07074	2.1
58.55953	0.8
59.18599	0.8
67.05220	0.9
67.05509	14.1
67.44033	0.8
69.03426	1.7
69.07080	13.4
79.05478	2.1
81.07063	15.7
83.08609	2.0
91.05476	2.4
93.07064	7.7
95.08613	22.5
97.10144	1.5
99.08087	1.7
101.37329	0.9
105.07042	10.2
105.96543	1.0
107.08597	20.4
109.10157	68.1
111.08081	1.1
117.07101	1.2
119.08584	15.9
121.10139	15.6
123.11699	9.1
125.09612	2.2
127.11196	1.2
130.04988	5.9
131.08569	5.5
133.10123	12.1
135.11665	13.9
137.13234	1.7
143.08531	1.9
145.10114	9.2
147.11694	15.3
149.13242	6.8
151.11188	1.2
151.14906	1.4
157.10109	4.0
159.11673	11.5
161.13261	17.0
163.14799	6.1
171.11667	5.8
173.13287	9.3
175.14775	11.1
177.12842	1.5
177.16368	5.3
185.13187	2.1
187.14845	8.0
189.16382	5.8
191.14366	1.3
191.17993	1.2
197.13235	2.4
199.14827	4.7
201.16376	9.2
203.17995	5.0
209.13341	1.2
211.14632	1.2
213.16388	5.0
215.17964	4.4
217.15895	1.2
217.19478	2.1
219.17415	3.9
227.17934	2.3
231.17503	2.1
239.17876	2.0
241.19449	4.2
243.20895	1.7
245.18895	1.3
251.17897	1.3
253.19424	1.2
255.20998	1.7
293.22861	1.2
295.24359	1.3
381.31357	1.6
393.35120	1.3
403.33557	5.0
411.36313	1.4
421.34680	24.1
439.35931	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00330	0.5
55.05516	4.2
57.03439	0.6
57.07079	3.1
59.04994	1.2
64.82449	0.6
67.05517	6.6
69.03414	1.1
69.07073	13.1
70.06605	0.6
71.05002	10.2
79.05508	3.4
80.44032	0.7
81.07063	17.3
83.05003	1.2
83.08635	6.0
84.08144	0.7
85.02898	1.1
86.03387	0.6
86.67009	0.6
91.05489	4.2
93.07040	11.7
95.08609	28.8
95.58775	0.7
97.02861	0.7
97.06525	1.4
97.10168	5.9
99.08092	3.7
105.07040	11.0
107.08598	24.3
109.10159	44.5
111.08064	1.0
111.11731	1.2
117.07008	3.2
119.08578	21.2
121.10146	23.0
123.08084	1.4
123.11710	16.4
125.09639	3.9
127.03917	0.7
127.11192	20.0
129.06993	2.9
131.08551	8.7
131.54887	0.7
133.10135	18.1
133.11049	1.1
135.08025	1.1
135.11688	14.0
137.09613	1.4
137.13269	3.8
141.07053	0.8
141.12785	5.1
143.08591	7.8
143.10670	1.4
145.10118	16.6
145.11203	0.8
147.11696	16.7
149.09656	0.7
149.13251	12.5
151.11223	2.8
151.14851	1.2
155.08545	0.8
157.10112	11.3
159.10463	1.3
159.11700	18.7
161.09705	1.0
161.13245	15.1
163.11246	1.1
163.14865	7.0
165.12830	1.2
169.10143	3.8
171.11673	10.8
173.09663	0.8
173.13243	16.2
173.14621	0.7
175.11177	0.8
175.14810	10.1
177.12794	0.7
177.16393	3.1
179.14398	0.9
183.11644	5.8
185.13258	23.2
187.14833	16.3
189.16357	5.6
191.14374	1.7
191.18048	1.0
195.11702	0.9
197.13300	4.6
199.14857	10.7
201.16405	10.1
203.14395	3.4
203.17992	4.4
209.13304	1.1
211.14902	4.7
213.16353	6.8
215.17966	4.4
217.15889	1.2
217.19618	1.4
219.17477	0.9
223.14780	1.6
225.16365	5.5
227.17940	8.3
229.19545	2.9
231.21010	0.7
237.16425	1.4
239.17949	5.9
241.19516	1.6
243.17238	1.2
243.21062	1.1
245.18983	3.1
253.17223	0.7
253.19479	6.6
255.20898	2.5
257.19116	0.8
261.87881	0.7
267.21262	1.6
269.19016	0.6
269.22736	1.1
279.21149	1.1
281.22678	3.1
285.22067	1.2
293.22577	1.0
294.23489	1.3
295.24149	3.5
297.22186	0.9
299.23831	1.0
313.25348	1.2
335.27274	1.0
339.26746	1.0
341.28125	0.8
403.33652	4.3
411.36404	0.9
421.34647	34.6
439.23053	3.3
439.35712	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3571
Annotation	Demethylphylloquinol
Peak:m/z	Relative Intensity
52.08484	1.2
55.05519	5.4
60.73135	1.3
63.16140	1.1
67.05512	21.1
68.12568	1.1
69.07071	12.2
71.08656	1.6
79.05497	2.2
79.34752	1.3
81.07062	14.0
83.08618	2.8
91.05489	2.1
93.07027	10.7
95.08599	21.0
105.07037	6.3
107.08607	14.4
109.10160	100.0
113.98743	1.6
119.08589	12.5
121.10145	20.4
123.11716	9.7
125.09678	2.4
131.08588	3.1
133.10141	15.3
135.11703	12.7
137.09650	1.8
137.13249	1.9
143.08575	3.0
145.10158	8.5
147.11678	14.2
149.13260	6.2
157.10118	5.6
159.11662	11.2
161.13300	10.8
163.14851	3.1
169.10147	3.1
171.11664	5.6
173.13231	10.1
173.62851	1.5
175.14862	8.4
177.16388	7.0
182.19942	1.3
183.11665	3.2
185.13292	8.1
187.14888	8.6
189.16417	1.8
197.13261	1.5
199.14850	7.6
201.16393	2.6
207.96942	1.4
211.14764	2.4
213.16449	5.4
215.17969	2.8
223.14915	1.7
225.16611	1.5
227.17972	7.0
239.17969	6.9
241.19576	3.2
253.19577	5.5
255.21107	6.4
267.21100	1.6
269.22690	1.6
271.20685	2.0
273.22180	5.6
281.22617	3.1
299.23816	1.5
311.23770	2.1
403.33566	7.9
421.34671	36.6
439.26901	16.2
439.35727	94.6
461.82678	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	440.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99596	1.1
61.03394	0.6
62.42466	0.7
70.06594	3.9
71.15264	0.5
72.08160	0.6
76.02233	8.3
77.21952	0.6
84.04505	1.0
85.02911	2.6
86.09720	0.8
92.21004	1.2
100.02216	4.5
103.03952	0.9
126.12991	0.7
127.03902	2.9
136.07495	0.9
137.06020	3.1
138.05504	0.8
146.02718	8.6
164.07027	1.0
172.07628	0.9
175.08649	1.3
182.08081	1.0
188.03812	0.9
189.10202	0.8
196.04314	0.9
213.10170	1.7
215.11600	0.9
217.09755	5.0
225.11116	0.6
228.33018	0.7
229.10783	1.1
235.10812	4.0
241.09717	21.2
242.08113	3.3
242.10461	2.7
243.11282	23.9
254.10669	0.7
255.11205	5.1
256.09802	0.8
257.12857	3.3
258.12369	11.9
259.10782	26.5
260.09207	3.0
271.13202	1.3
273.06879	0.9
273.12341	1.4
282.10056	1.1
283.10751	10.9
284.09158	3.1
285.12317	11.3
286.09445	2.5
299.08563	3.9
300.06848	0.9
300.10916	1.1
301.11832	32.3
302.10266	1.5
303.13354	1.0
307.10342	1.0
316.11057	1.0
317.09946	1.1
317.13721	24.0
318.12564	6.5
319.12817	0.9
362.11703	12.3
363.10242	5.5
382.10959	0.8
404.12854	4.8
405.10989	1.1
422.13794	100.0
423.12064	9.0
440.14529	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	440.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71426	1.1
56.05051	1.3
58.99592	1.5
66.96165	1.3
67.05500	1.4
69.03439	1.2
69.27682	1.3
70.06584	8.6
72.08141	5.1
76.02239	4.8
76.05141	1.5
79.05516	1.4
81.07043	19.6
84.08136	1.6
85.02901	5.4
86.09708	7.8
88.19412	1.1
91.05468	1.6
93.07054	5.2
97.02888	1.9
100.02212	10.9
105.00090	1.9
109.06522	33.8
119.04944	2.2
122.06020	1.6
122.74468	1.2
123.06818	1.8
124.07595	2.1
127.07540	15.5
128.40356	1.3
129.10263	1.9
136.07579	9.6
137.05978	100.0
141.01859	6.0
146.02695	29.1
147.05881	1.6
147.10190	1.3
155.07010	9.7
166.04984	1.7
166.11714	1.2
168.53082	1.3
173.08084	6.6
180.06555	8.3
194.33362	1.4
211.09590	10.2
212.10669	1.2
213.10202	1.6
213.12263	2.3
217.09692	1.9
218.08107	8.1
229.10713	54.0
241.09726	17.5
243.11194	16.4
247.11801	25.8
254.10558	1.7
255.11276	21.6
256.09650	14.1
257.13022	1.4
258.12262	6.3
259.10736	16.7
260.09277	5.5
278.10028	2.6
283.10825	9.1
284.09280	2.1
285.12305	12.6
301.11829	26.7
302.10199	9.8
317.13718	15.5
318.12695	5.3
362.11429	8.8
363.10010	1.8
404.12717	2.7
405.13788	2.5
422.13782	88.4
423.12170	22.6
440.15042	10.3
440.22125	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	440.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.9
55.05521	4.6
55.59371	2.0
58.06640	2.2
58.77859	2.0
61.24836	2.0
72.08165	3.2
74.00669	88.4
76.04002	2.7
81.07052	4.2
83.08620	18.8
84.04510	27.3
85.04019	3.5
86.09717	4.4
87.02681	5.0
92.01711	3.8
99.08085	2.9
104.98325	2.4
108.94402	2.2
112.03950	3.5
113.03492	2.4
129.06555	4.1
130.05006	35.1
131.04521	17.7
139.55577	2.2
147.02980	2.7
160.00623	2.8
165.04018	100.0
177.03294	64.1
185.03833	3.8
191.05629	2.9
192.21465	2.6
208.08221	19.0
208.55405	2.3
231.04364	14.8
246.14857	3.4
311.10922	79.2
365.12112	19.8
440.15591	90.9
463.52545	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	440.1761
Annotation	Estramustine
Peak:m/z	Relative Intensity
56.51829	0.5
57.03453	0.7
64.95135	0.5
67.05493	0.8
70.06596	2.5
72.47905	0.5
75.04514	0.6
79.05484	0.6
79.69309	0.6
80.10751	0.6
81.07060	16.4
85.02905	3.9
85.06566	1.1
86.09723	0.7
91.05473	2.4
93.07047	6.0
95.01344	1.1
97.02927	0.7
97.63700	0.6
100.02180	0.9
102.85870	0.5
103.03884	0.7
105.04581	0.5
109.02813	0.5
109.06522	25.5
111.08099	1.0
113.02409	0.8
119.04928	2.9
121.98264	0.6
127.03887	0.9
127.07547	12.9
136.07594	0.9
137.05983	100.0
141.01871	4.9
146.02721	4.2
147.04454	0.9
155.06996	8.5
159.02893	0.8
173.08063	5.3
174.05510	5.5
180.06720	0.6
185.11613	0.6
197.42236	0.6
208.11584	0.6
211.09610	7.7
229.10709	58.0
238.81351	0.6
241.09700	3.5
243.11292	0.7
247.11763	16.8
255.11267	2.3
256.09631	0.8
258.12219	0.8
259.10709	2.7
260.09167	0.6
283.10721	0.9
285.12296	0.7
301.11725	5.0
302.09851	0.7
317.13733	2.4
387.12872	0.7
405.13742	5.1
422.13794	11.8
423.12238	3.0
440.11057	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	440.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.0
55.05512	10.8
56.87267	1.8
57.03444	19.2
59.05005	4.0
67.05528	1.9
69.03439	60.2
69.07073	66.1
71.23478	1.6
72.76532	1.6
75.04466	2.8
81.03427	3.3
81.07053	3.3
85.02431	3.7
85.02910	64.3
87.04475	73.6
90.44064	1.6
91.03976	1.9
93.07053	2.1
95.08628	7.7
96.90993	2.1
97.02893	70.7
99.04432	2.2
107.08627	3.0
109.02895	2.7
109.10191	4.2
111.11725	26.2
115.03936	100.0
118.77332	1.9
119.08644	2.6
119.62744	2.1
121.10124	3.0
122.61422	2.1
123.11704	2.3
127.03919	13.5
127.11203	3.2
133.04964	72.2
133.05952	3.5
135.11702	1.9
140.30457	1.9
145.04951	14.5
150.07625	12.4
151.88438	1.9
153.12753	2.3
163.06027	2.8
169.04936	1.9
207.13902	2.8
223.80716	2.1
225.14983	2.3
241.06956	2.4
243.15952	10.1
255.85611	1.9
259.08102	9.3
277.09229	2.4
295.10287	11.8
336.12634	2.1
350.13715	2.5
408.17908	3.7
422.34860	4.4
440.20587	3.8
440.36179	23.8
440.87299	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	441.1004
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04413	0.4
52.91632	0.4
53.96039	0.5
66.68651	0.5
70.06593	3.0
70.08847	0.5
72.08147	0.7
74.06075	0.8
86.09724	0.7
100.75119	0.7
101.94465	0.5
105.59299	0.6
110.07146	2.0
111.28666	0.5
116.06950	0.6
120.08055	1.0
136.07623	0.6
152.78059	0.5
166.05296	0.7
177.01617	2.8
184.59491	0.5
192.03937	26.2
193.04802	6.7
212.21544	0.6
213.12212	0.6
227.05286	0.8
290.75348	0.6
355.10013	3.6
380.91632	0.6
397.11075	9.7
441.10013	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11931	0.1
53.03961	0.1
55.01878	0.2
63.42997	0.1
65.92735	0.1
66.26894	0.1
68.99786	0.2
69.03436	1.5
69.06747	0.2
69.07074	2.9
70.06577	0.2
72.08153	0.2
73.02923	0.3
75.59689	0.1
81.03423	1.6
84.08105	0.1
85.02907	3.6
86.09688	0.2
87.00838	1.0
87.04456	0.2
91.03965	0.1
92.21523	0.3
97.02879	1.5
99.04469	0.7
105.01842	0.7
107.25706	0.1
109.02885	1.2
111.11717	1.3
115.03912	0.2
116.07120	0.2
117.01850	0.3
117.82938	0.1
127.03912	2.1
129.01857	0.3
129.12746	2.3
135.16771	0.1
145.04904	0.6
147.03009	0.2
147.13889	1.1
151.03937	0.2
158.97748	0.2
159.02859	1.0
177.05467	0.3
193.04970	100.0
205.04961	0.3
235.06017	0.5
259.06024	0.1
262.06509	0.2
262.24930	0.1
301.07031	0.2
307.52518	0.2
433.69891	0.2
441.10138	0.6
441.15366	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	441.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
60.31719	0.2
68.10519	0.2
69.03425	1.4
69.07066	2.6
70.06575	0.4
71.21129	0.2
72.08162	0.2
81.03414	1.0
85.02907	1.9
85.77260	0.2
86.09691	0.3
87.00823	0.7
97.02894	1.1
99.04456	0.4
105.01864	0.4
109.02896	1.1
111.11713	1.1
117.78876	0.2
120.08035	0.2
127.03934	1.8
129.12767	1.7
133.02853	3.2
134.31152	0.2
137.05965	0.3
142.66750	0.2
145.04984	1.1
147.04401	1.8
147.13794	0.3
149.06049	0.7
159.02893	0.7
165.05461	0.9
174.63974	0.2
178.02611	1.2
190.94186	0.2
193.04967	100.0
204.65961	0.2
206.38356	0.2
319.49771	0.2
441.10159	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	441.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
68.52090	0.1
74.69022	0.2
75.45349	0.1
77.18606	0.1
79.10398	0.1
82.47269	0.1
84.08128	0.2
157.00752	0.2
193.04965	100.0
355.10294	0.9
401.06235	0.2
441.10269	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	441.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07075	5.1
70.06583	1.0
85.02914	2.9
87.00832	0.6
88.46705	0.6
97.02837	0.6
109.02866	0.5
111.11723	2.9
113.92761	0.5
120.08102	0.6
124.80228	0.5
127.03860	0.5
129.01765	0.7
129.12791	4.2
145.02834	6.3
147.04366	5.4
147.13806	0.5
150.54541	0.5
172.88017	0.5
177.05487	10.9
189.03859	0.6
189.05463	2.7
193.04967	100.0
195.02568	0.6
205.04944	14.9
215.28468	0.5
217.04953	6.2
227.06949	0.7
230.13940	0.5
231.06567	7.8
235.06020	33.6
245.08046	7.2
255.06429	4.4
259.06027	10.3
273.07550	0.9
283.05991	5.9
301.07108	12.4
319.08060	0.9
355.10150	0.9
357.18085	0.5
396.72916	0.6
405.08154	5.5
423.09042	5.1
441.10214	18.0
447.19620	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	441.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94085	0.7
59.31423	0.8
61.61449	0.8
63.69624	0.9
85.00571	0.8
94.80592	0.9
157.38475	0.9
193.05019	4.2
193.12044	1.2
203.05226	1.1
243.04723	1.9
245.06285	1.0
250.00780	0.8
252.87692	0.9
273.54041	0.9
287.03717	19.0
289.05255	14.4
441.17346	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45634	0.4
56.01595	0.4
67.38791	0.4
69.07069	0.7
81.07063	0.7
87.10901	0.5
88.21175	0.4
91.05489	0.5
93.07056	0.5
95.08594	2.1
104.02890	0.4
104.26491	0.4
105.07017	0.5
107.08603	0.9
109.10157	1.7
112.05110	0.8
119.08552	0.5
121.10097	1.0
123.11696	0.7
127.11180	0.7
139.38274	0.4
147.04376	0.8
147.11644	0.9
160.31967	0.4
161.13181	0.6
177.05414	0.7
223.13155	0.6
253.08891	0.8
312.26965	0.5
397.22021	0.8
408.32803	0.5
441.20908	100.0
441.37018	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	441.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75994	0.9
56.96556	9.6
69.07073	1.2
75.13409	1.0
81.07060	2.3
84.26633	0.9
85.17377	1.0
93.07032	1.8
95.08611	5.7
96.69331	1.0
98.97568	1.7
98.98679	0.9
101.72497	1.1
107.08595	2.0
109.10149	4.1
116.98631	2.5
119.08559	1.6
121.10162	1.8
133.10107	1.6
134.99631	1.3
135.11600	2.0
147.11620	1.3
153.27081	0.9
161.13235	1.9
169.05417	1.5
173.13249	1.1
175.14793	1.4
187.06433	3.6
193.05211	1.1
195.06931	5.0
211.06439	1.6
213.08026	4.9
225.07964	1.9
229.07495	4.2
237.08110	1.4
239.09598	1.8
243.09030	18.7
247.08678	1.5
251.09569	11.2
253.11128	1.3
255.09039	5.1
257.10599	8.5
261.10077	12.8
265.11090	21.5
267.21625	1.0
269.10568	31.7
273.10016	1.2
275.11649	4.7
283.12177	61.3
287.11511	1.0
301.13275	1.8
305.14240	1.7
306.13742	2.0
330.13614	1.1
331.15854	6.4
349.16849	16.3
363.18335	14.1
367.17798	4.2
381.19427	5.4
423.36462	1.9
441.21591	100.0
441.37589	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	441.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.15393	1.2
61.11048	1.1
81.07066	3.2
85.30739	1.1
94.03094	1.2
95.08603	2.7
99.44580	1.1
107.08583	2.0
109.10152	2.2
120.66161	1.2
121.10180	1.9
135.11702	1.4
145.10185	1.6
147.11688	1.6
189.16263	1.5
268.27167	1.4
269.17703	1.4
423.36124	1.5
441.22473	100.0
441.36966	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	441.233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	7.2
57.03435	2.4
59.05008	7.1
65.12106	1.0
69.03114	1.3
69.03420	11.6
69.07072	100.0
70.06572	2.6
79.37206	1.2
81.03429	1.7
84.08157	2.1
85.02907	15.5
86.09709	3.1
87.04468	11.7
89.03938	1.8
92.30043	1.3
97.02894	15.9
99.04457	1.8
103.44213	1.1
109.02849	1.3
111.11719	41.6
111.12429	2.1
115.03949	9.9
115.46556	1.5
117.03364	2.6
121.10237	1.5
127.03916	2.1
129.11778	2.8
129.12755	83.4
133.04980	9.5
133.10162	1.4
140.07111	1.7
145.02849	28.5
147.13792	31.2
154.08559	2.1
173.33781	1.4
177.05460	53.2
180.10158	1.8
183.07750	2.3
192.06528	2.1
193.04961	9.4
208.09695	7.2
219.01836	1.9
347.13928	1.4
347.70624	1.4
409.15695	2.6
441.15158	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	441.2456
Annotation	Lys Phe Phe
Peak:m/z	Relative Intensity
57.16112	0.2
60.10239	0.3
81.07066	0.3
83.08627	0.3
85.02895	0.6
95.08593	0.4
97.02911	0.6
107.08617	0.5
119.08617	0.3
127.03913	0.4
147.04457	0.3
175.14809	0.5
201.03691	5.3
203.05270	11.9
261.18243	3.5
263.19861	4.5
441.24606	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	441.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
62.75152	0.5
70.06584	5.3
77.95957	0.6
86.09699	2.6
122.62717	0.6
169.13383	2.4
193.04938	0.8
197.12883	0.9
264.18274	0.7
340.55035	0.7
355.17365	1.2
441.24649	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07068	1.8
74.06089	2.1
83.51088	0.4
85.02915	0.3
86.09708	100.0
116.07115	0.7
120.08148	0.6
126.05509	3.9
126.06975	0.3
140.16116	0.3
144.06516	0.4
145.02893	0.4
150.22070	0.3
157.13373	1.5
163.89795	0.3
177.05482	0.5
185.12904	0.5
211.14502	1.3
239.13879	15.5
257.14926	8.6
292.27338	0.3
293.09406	0.3
300.19159	0.7
328.18655	29.6
355.17422	0.4
397.18317	1.6
441.17166	4.1
441.26904	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	441.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78622	0.4
53.24739	0.5
61.21151	0.6
62.06605	0.5
66.57089	0.6
81.07056	1.1
81.61333	0.7
93.07030	1.0
95.08584	1.4
95.15750	0.6
105.07099	0.7
105.79223	0.5
107.08579	1.1
109.10141	2.4
119.08586	1.2
121.10136	2.2
146.31039	0.6
147.11685	0.8
149.13342	0.7
161.13242	1.3
177.94174	0.6
182.10760	0.7
269.13580	0.6
290.46201	0.7
311.06738	0.7
357.09625	0.7
423.36295	0.9
441.28198	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78622	0.4
53.24739	0.5
61.21151	0.6
62.06605	0.5
66.57089	0.6
81.07056	1.1
81.61333	0.7
93.07030	1.0
95.08584	1.4
95.15750	0.6
105.07099	0.7
105.79223	0.5
107.08579	1.1
109.10141	2.4
119.08586	1.2
121.10136	2.2
146.31039	0.6
147.11685	0.8
149.13342	0.7
161.13242	1.3
177.94174	0.6
182.10760	0.7
269.13580	0.6
290.46201	0.7
311.06738	0.7
357.09625	0.7
423.36295	0.9
441.28198	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81992	0.6
67.05522	0.8
69.07059	0.8
78.06798	0.7
81.07065	1.3
95.04984	0.9
95.08595	2.7
102.36859	0.8
107.08593	0.9
109.10182	1.2
118.39732	0.8
119.08582	1.3
121.10118	1.2
123.11734	1.1
135.11682	0.7
149.13194	0.8
363.27017	0.8
441.28235	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	441.307
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64206	0.4
55.05510	1.8
60.05661	1.6
60.13694	0.4
69.07064	1.9
70.06593	9.0
72.08155	33.4
78.47243	0.5
84.08147	0.5
86.09707	100.0
89.54889	0.4
102.35783	0.4
105.14726	0.4
114.09110	0.5
116.07091	52.3
120.08134	2.7
125.02673	0.4
185.16487	58.0
199.18054	0.7
211.98093	0.4
213.15955	29.8
225.61763	0.4
229.15454	31.9
281.22281	1.7
326.24371	30.9
366.19202	0.6
423.21008	0.5
441.17587	0.7
441.23749	5.4
441.30811	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	441.3359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69516	2.5
63.26292	2.8
67.05495	7.1
69.03440	3.4
69.07074	24.4
72.04213	3.7
81.07050	36.4
83.04971	3.7
83.08615	13.0
85.06554	5.4
88.67120	3.6
91.05476	5.2
93.07034	34.0
95.08620	41.1
97.10203	3.5
105.07031	24.9
107.08585	33.2
109.06531	6.2
109.10165	49.7
111.08111	3.5
115.99364	2.9
119.08546	23.5
121.06541	4.1
121.10123	30.9
123.11695	13.2
131.08580	14.3
133.10133	22.2
135.08066	4.7
135.11743	14.6
142.27168	3.8
142.62514	4.3
145.10152	24.7
147.11722	25.9
149.13203	15.4
157.10103	15.3
159.08011	4.9
159.11653	29.7
161.13252	20.3
163.14853	5.4
169.10118	6.9
171.11694	6.2
173.13274	14.9
175.11171	6.0
179.10684	16.7
181.38194	3.8
183.11653	6.5
185.13326	12.0
187.14760	7.6
189.12973	4.8
189.16426	4.3
197.13344	6.7
199.14760	8.2
201.16344	4.4
207.11562	3.6
211.14783	5.8
213.16306	7.1
215.14398	6.2
215.33322	3.8
225.16347	3.5
227.17995	14.6
233.15254	4.4
243.17513	5.0
251.17926	4.7
265.19617	4.5
283.20612	5.1
301.21677	4.2
352.31735	3.5
362.01120	3.5
369.27829	19.4
373.23294	3.8
405.31772	4.7
423.32523	48.3
441.28418	71.2
441.33649	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	441.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	5.3
57.07071	3.4
63.16405	3.5
67.05511	14.3
69.07076	15.2
71.04984	23.1
79.05507	4.3
81.06602	5.8
81.07060	72.9
83.08623	14.3
89.94256	4.4
91.05481	7.0
93.07042	53.8
95.08611	68.6
105.07054	30.6
107.08600	59.0
109.10162	88.6
119.08562	44.7
121.10136	52.2
123.11674	29.4
125.09629	5.4
127.11127	24.9
133.10075	28.1
135.11682	40.1
137.13318	8.4
143.10712	6.2
145.10118	24.8
147.11691	57.5
149.13213	34.0
151.11201	7.7
153.12726	4.5
157.10101	6.1
159.11696	26.6
161.13226	24.0
163.14832	6.5
171.11729	6.9
173.13246	20.1
175.14859	35.6
177.16380	5.2
185.13263	4.4
187.14851	14.4
189.16414	19.7
201.16394	16.4
213.16315	4.4
214.40668	4.2
215.17935	13.6
229.19542	4.5
257.22742	8.2
283.24136	15.5
358.53549	3.5
406.08237	3.9
423.36197	54.2
435.70331	3.8
441.37259	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88046	2.2
52.58246	2.7
55.05516	5.7
57.07080	4.4
58.19715	2.4
61.40364	3.0
67.05514	30.1
69.07077	21.4
71.04995	24.7
79.05495	16.1
81.07061	91.8
82.50827	3.0
83.08621	12.2
84.05409	2.7
85.83591	2.6
91.05488	15.6
93.07047	80.9
95.08614	71.5
97.10172	5.7
99.08109	2.8
105.07030	40.0
107.08599	82.5
109.10158	95.9
112.04446	2.8
115.44816	3.2
119.08580	46.4
121.10140	58.3
123.08087	3.7
123.11720	44.6
127.11167	27.1
131.08592	6.3
133.10114	33.4
134.54332	3.3
135.11694	64.8
137.13266	7.0
141.12755	4.1
143.10634	4.0
145.10147	30.1
147.11688	53.5
149.13239	31.0
151.11200	15.3
153.12729	12.8
157.10027	3.4
159.11668	36.5
161.13242	30.9
163.11136	4.9
163.14832	14.1
171.11690	5.1
173.13293	37.9
175.11110	2.8
175.14833	46.5
177.16440	5.4
185.13322	6.4
187.14833	20.0
189.16362	23.2
193.15843	6.0
196.59293	3.1
199.14871	7.4
201.16393	15.7
203.18141	9.9
213.16321	11.1
215.17946	19.1
217.19385	3.4
219.17444	3.6
227.17938	5.5
231.21104	3.7
238.83253	3.0
241.19296	4.4
257.22592	4.2
283.24054	6.0
355.29633	4.9
357.65546	3.1
405.35010	6.9
417.37009	3.2
423.35345	58.8
441.37033	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00324	1.5
55.05526	14.0
57.07077	9.8
57.08708	1.7
58.70223	1.6
60.03545	1.7
60.04521	3.1
64.84226	1.6
67.05512	27.4
69.07066	33.9
71.04996	20.2
71.08642	4.2
74.06087	15.1
79.05493	16.5
81.07059	79.2
83.04974	4.3
83.08636	15.6
85.06507	1.7
88.07626	22.9
91.05472	13.5
93.07037	58.6
95.04967	2.3
95.08607	84.2
97.06495	7.0
97.10162	4.3
105.07035	35.8
107.08596	73.6
109.06519	2.8
109.10153	100.0
109.37871	1.8
112.18828	2.3
119.08572	43.4
119.09339	3.5
121.06511	2.2
121.10126	50.5
123.11714	32.9
125.09626	3.4
127.11193	23.0
129.06996	2.3
131.08562	18.4
133.10129	44.3
135.08014	3.0
135.11705	58.7
137.09587	3.0
137.13252	11.9
139.11148	1.9
143.08577	3.5
145.10127	27.8
147.11678	44.4
149.09592	3.6
149.13249	37.9
151.11200	4.6
153.12683	12.6
157.10081	15.1
159.11685	29.0
161.13226	29.5
163.14839	13.7
171.11685	11.0
173.13258	27.4
175.14851	26.4
177.16391	10.3
185.13292	4.4
187.14792	19.3
189.16357	16.9
191.17937	4.0
195.17464	2.4
198.22221	3.0
199.14835	9.4
201.16356	17.2
203.18010	4.5
205.24341	2.0
211.14841	2.6
212.19963	2.8
212.23714	3.0
213.16386	11.4
215.17969	15.7
217.19417	7.5
227.17979	8.0
228.23218	60.9
229.19444	10.1
231.21040	3.3
243.21115	2.9
255.21132	2.4
257.22659	8.5
269.22705	2.3
283.24161	10.7
301.25314	2.8
303.26901	2.2
337.28836	2.6
355.30118	2.2
364.03012	2.3
374.92752	2.0
383.32846	8.0
423.36185	52.2
441.36795	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	441.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78341	1.4
54.24475	1.3
55.05527	1.8
57.07054	2.8
61.46408	1.3
67.05507	7.0
69.07079	14.7
71.08621	2.0
79.70464	1.7
81.07056	18.0
83.08625	7.0
84.86015	1.5
92.40813	1.7
93.07061	14.7
93.48325	1.5
95.08609	27.7
97.10191	2.8
105.07037	9.4
107.08594	22.7
109.06541	2.3
109.10156	44.7
113.09654	1.7
119.08582	9.8
121.10143	13.4
123.08048	7.1
123.11707	18.8
133.10124	14.8
135.11697	11.6
137.13254	3.7
145.10136	3.0
147.11679	11.6
149.13274	14.1
151.11169	13.5
159.11713	10.3
161.13277	12.2
163.14903	2.3
173.13268	10.1
175.14838	8.6
179.14343	7.6
183.32166	1.7
187.14832	3.3
189.16402	7.7
201.16377	6.8
203.14330	2.0
203.17946	6.0
217.19505	3.8
256.26434	1.9
349.27435	1.8
405.34796	2.5
423.30908	11.6
423.36246	16.7
441.37231	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3725
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
55.05523	3.8
62.90841	2.7
64.71662	2.6
67.05499	15.8
68.47536	2.9
69.07073	11.5
75.31344	2.7
79.05495	3.4
81.07067	39.2
83.08624	5.4
85.40849	2.4
85.75478	3.1
90.81004	2.8
91.05463	3.0
93.07044	19.4
95.08611	100.0
97.10165	3.2
105.07029	14.8
107.08601	53.5
109.10149	58.9
111.08099	27.4
119.08570	22.1
121.10138	42.6
123.11716	18.8
131.08598	5.5
133.10130	27.0
135.11690	37.2
137.13295	7.3
139.11179	14.8
145.10118	11.3
147.11646	23.3
149.13260	34.3
153.28514	2.7
159.11656	15.4
161.13252	24.3
163.14799	20.4
171.11697	3.0
173.13263	15.1
175.14865	17.8
177.16377	14.6
187.14812	14.1
189.16370	14.3
191.17908	5.7
195.17496	11.6
201.16373	16.6
203.18044	29.0
207.17345	3.1
215.18022	16.2
217.19478	6.4
219.17418	5.6
221.18996	4.2
227.17952	13.5
229.19504	25.8
230.59781	2.9
233.19073	12.2
245.18993	3.6
247.20555	15.8
257.22586	3.9
275.23553	3.8
305.46902	3.2
316.01749	3.3
320.75864	3.0
405.34979	4.3
411.36151	4.5
423.36282	60.5
441.28342	33.7
441.37216	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	441.3726
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
50.31182	1.4
50.90907	1.4
55.05500	4.1
57.07090	1.9
58.15126	1.4
67.05505	11.1
69.07070	9.7
79.05495	4.2
81.07065	37.2
82.69317	1.6
83.08629	8.1
91.05486	2.7
93.07047	23.9
94.23090	1.7
95.07995	3.2
95.08607	100.0
97.06516	2.5
97.10184	3.2
99.08097	2.0
105.07023	20.9
107.08594	48.2
109.10156	49.5
109.96816	1.9
111.08079	27.3
119.08572	36.2
121.10160	47.4
123.11701	24.7
131.08591	7.0
133.10144	37.1
135.11699	41.2
137.13251	10.5
138.60872	2.0
139.11200	11.9
145.10109	13.6
147.11691	30.2
149.13255	30.4
151.11076	2.0
153.12701	2.3
159.11671	22.8
161.13264	31.2
163.14798	31.7
165.12764	7.7
171.11668	7.0
173.13292	17.7
175.14821	28.1
177.16402	13.4
185.13252	2.9
187.14845	13.9
189.16368	21.9
191.17953	9.3
193.15834	7.7
195.17474	9.8
199.11613	1.9
199.14890	2.4
201.16428	21.1
203.17953	32.4
207.17522	11.3
213.16399	8.2
215.17967	15.7
217.19507	11.0
219.17511	8.4
221.19000	8.7
227.17935	8.3
229.19469	24.2
233.19052	8.5
239.17944	1.9
241.19373	2.6
243.21167	2.8
247.20590	12.2
252.31715	2.2
255.20984	2.1
257.22708	6.7
261.22171	2.3
269.22592	4.5
283.24283	2.6
353.40472	2.2
369.31500	2.1
383.32831	2.1
405.35284	3.9
423.36179	53.0
441.27908	7.1
441.37296	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	441.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81062	1.5
55.05521	3.7
57.07080	3.7
62.10098	1.4
63.98984	1.7
67.05492	8.0
69.07092	14.4
70.28425	1.8
71.04989	11.8
72.99895	1.6
76.79526	2.3
79.05505	3.4
81.07066	26.4
83.08627	11.7
88.54324	2.1
91.05466	3.1
91.83476	1.6
92.21504	2.3
93.07034	15.4
95.08614	42.4
97.06516	3.2
97.10173	4.4
99.08111	3.1
105.07042	16.4
107.08607	37.9
109.10155	53.7
119.08568	20.4
121.10146	31.8
123.11713	28.2
124.40282	1.9
125.09666	6.7
127.11184	42.4
131.08575	9.6
133.10147	28.0
135.11703	25.1
137.13263	4.8
141.12726	3.1
143.52884	2.1
145.10138	12.5
146.36513	2.1
147.11691	25.7
149.13251	19.9
157.10152	3.5
159.11696	23.6
161.13234	17.7
163.14822	10.4
165.12663	3.4
171.11803	3.1
173.13280	12.6
175.14819	17.5
177.16333	3.4
183.52420	1.9
185.13269	3.6
187.14795	22.1
189.16414	14.8
191.17979	8.8
199.14777	3.7
201.16394	15.4
203.17967	22.2
215.17992	8.5
217.19458	4.0
219.17409	3.4
227.18002	2.7
229.19531	3.9
233.19000	4.1
241.19539	3.9
253.19525	2.7
255.21176	3.8
257.22772	3.6
269.22565	3.0
297.25830	2.6
354.40787	1.9
362.08554	1.9
405.35303	3.6
423.36188	83.1
441.37259	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40914	3.8
54.22123	3.5
55.05511	7.1
56.30594	4.8
57.07073	4.7
62.84922	4.4
67.05495	18.8
67.78371	4.9
69.07066	23.8
81.07070	47.5
83.08613	10.2
93.07047	31.0
95.08605	100.0
97.10185	8.1
105.07036	21.9
107.08607	49.8
107.12109	4.7
109.10159	59.6
111.08076	9.2
119.08580	45.6
121.10128	48.6
123.11715	28.9
125.09655	6.6
133.10127	32.5
135.11707	47.0
137.13242	8.7
145.10144	11.6
147.11682	31.6
149.13257	28.1
159.11676	7.1
161.13304	11.6
163.14809	36.3
173.13303	9.9
175.14824	20.5
177.16368	23.1
187.14845	8.0
189.16397	18.8
191.18037	8.2
195.17422	11.1
201.16368	21.9
203.17899	17.7
212.23730	29.0
212.28737	5.2
215.17923	10.0
219.17348	7.9
221.19174	6.1
228.23283	7.3
229.19536	31.2
233.18896	6.5
329.28134	8.0
376.50443	5.5
423.36371	52.3
441.36935	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	441.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	11.4
59.69319	2.3
63.45739	2.8
67.05515	23.6
69.07053	28.0
79.05494	14.6
81.07062	69.0
83.08629	12.4
91.05494	4.1
92.21001	4.3
93.07053	45.3
95.04986	2.6
95.08611	72.5
97.10158	4.3
105.07035	34.1
107.08598	77.4
109.06531	4.4
109.10166	85.2
119.08582	41.4
121.10153	71.2
123.08054	4.0
123.11707	39.9
127.11203	4.0
131.08580	4.3
133.08577	3.0
133.10132	34.0
134.87288	2.8
135.11694	62.8
137.13266	16.7
145.10135	22.8
147.11688	46.9
149.13264	33.6
151.11160	3.1
153.12733	4.3
157.10153	5.4
159.11711	15.8
160.68700	2.9
161.13213	22.1
163.14812	13.5
165.12746	3.9
171.11737	6.5
173.13277	18.8
175.14816	29.8
177.16403	13.9
185.13167	3.1
187.14821	7.0
189.16382	15.2
191.17963	16.2
193.15938	5.5
199.14812	5.3
201.16412	15.8
203.18005	3.7
209.70099	3.1
213.16478	5.3
215.18065	5.5
227.18018	5.1
229.19472	11.7
233.18628	3.4
255.20976	3.5
281.22766	3.5
355.30261	4.9
366.08923	3.1
423.36130	54.2
441.37286	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	441.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	6.3
57.07076	3.1
60.47538	2.1
62.81482	2.6
63.10852	2.2
67.05506	18.7
68.86491	2.3
69.07076	25.6
71.04990	17.3
79.05507	4.4
81.07061	43.8
83.08599	10.7
91.05467	5.7
92.65400	2.5
93.07031	24.1
95.08609	65.9
97.06534	4.6
97.10161	12.5
105.07046	15.3
107.08591	47.8
109.10159	63.6
111.08063	10.6
116.17569	2.7
117.07108	2.4
119.08594	36.0
121.10145	41.7
123.11714	32.2
125.09698	2.9
127.11173	24.0
131.08548	5.2
133.10153	36.9
135.11691	36.2
137.13278	6.3
141.12741	3.8
143.10747	2.8
145.10118	23.8
147.11655	30.6
149.13254	22.1
157.10139	4.4
159.11661	23.5
161.13268	23.0
163.14836	14.5
165.12862	2.6
169.76224	3.0
171.11710	4.9
173.13287	18.6
173.62912	2.8
175.14790	28.7
177.16376	11.5
185.13239	11.1
187.14815	21.3
189.16335	12.0
191.18004	4.3
199.14793	6.1
201.16408	21.7
203.17964	13.5
205.15825	3.1
208.67458	3.4
215.18027	5.8
217.19513	5.0
229.19482	6.3
233.19072	4.1
241.19447	4.0
247.20490	2.8
255.21040	4.4
269.17459	4.5
269.22745	3.9
373.21402	2.8
423.27118	2.9
423.36218	61.1
441.23215	4.6
441.37473	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54809	1.0
56.05046	3.8
57.07084	7.3
58.06610	1.5
61.25975	0.8
61.26339	0.9
62.06097	1.6
62.33697	0.9
67.05489	3.5
69.07059	4.9
71.05006	1.6
71.08633	2.2
72.04527	8.3
76.05170	1.2
79.05498	1.0
80.74653	0.8
81.07066	6.4
83.08616	4.8
93.07031	2.1
95.08610	6.1
97.06548	1.9
105.07039	1.1
107.08598	5.7
109.10153	4.1
119.08564	1.7
121.10107	6.8
123.11698	1.9
127.11183	4.7
133.10153	1.3
135.11678	3.3
137.13316	1.2
138.12761	1.3
139.11147	1.0
143.88063	1.0
147.11670	2.0
149.13237	7.9
159.11699	1.7
166.15895	10.7
167.14296	1.3
177.08716	4.3
184.13353	4.2
187.14738	1.1
189.16318	1.3
203.17987	1.1
211.88599	1.0
212.16508	7.1
212.23743	51.7
217.19339	1.0
230.24776	66.7
238.17990	12.7
240.23228	60.0
240.25752	1.0
255.20590	2.0
256.19119	1.7
258.24243	3.7
364.50958	1.1
366.29895	1.6
414.60260	1.1
423.39536	100.0
424.38074	21.6
441.41028	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	442.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99594	1.0
67.05515	1.2
70.06592	12.4
71.06921	0.8
72.08154	1.5
76.02228	1.3
77.79326	0.7
84.04511	1.4
84.08184	1.2
86.09709	1.4
94.06580	1.1
96.04490	1.6
96.08128	7.5
98.06070	2.7
100.02203	17.2
100.02837	0.9
105.00095	5.9
116.07088	1.3
120.01195	3.1
122.06022	19.6
124.07585	14.1
131.98950	0.7
136.07568	13.6
136.08521	0.9
138.05569	1.0
138.08072	1.3
138.09138	9.6
139.08710	3.2
140.07089	3.5
140.08118	0.7
146.02710	100.0
148.00623	0.7
154.03180	12.8
156.04771	5.3
160.07176	3.5
164.07054	41.5
166.04971	1.2
180.04825	4.0
182.08145	16.0
188.41376	0.7
188.62163	0.8
197.07494	2.9
198.05058	1.2
200.03792	1.3
213.08876	0.8
213.12421	1.2
214.12692	1.4
216.06154	1.5
230.11421	3.6
243.07967	56.2
243.11266	6.5
244.09761	0.9
257.12845	8.1
258.11234	6.8
263.07574	0.8
272.05298	0.8
285.12329	11.9
286.10803	4.9
297.12436	0.7
300.41006	0.8
303.13425	10.8
304.11801	21.5
321.14240	1.1
351.32779	0.7
424.15353	19.9
424.20517	1.4
433.23712	1.1
442.16476	42.8
442.22452	4.5
448.77084	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	442.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84308	0.5
55.01882	3.3
55.05293	0.7
55.05515	5.9
57.03458	2.1
58.49547	0.6
69.03423	0.5
69.07065	6.2
70.06593	1.1
73.02922	1.1
73.33903	0.5
81.03424	0.6
83.08625	41.6
85.02918	5.7
87.08092	0.6
91.05483	1.2
93.07031	0.9
95.01357	1.3
95.08598	2.4
97.02884	2.5
99.04433	2.8
103.03925	0.8
111.08083	32.5
113.02399	1.5
121.06494	0.9
127.03929	0.9
129.09131	8.8
129.86656	0.6
131.10774	0.7
139.07533	5.9
141.01796	8.6
141.02617	0.6
147.04410	4.4
157.08603	32.0
159.02867	1.2
171.61882	0.6
175.09653	50.2
177.05316	0.6
183.29449	0.8
206.20464	0.7
213.11214	72.7
231.12268	100.0
249.13335	19.5
389.14374	0.8
407.15103	4.1
425.16660	0.7
434.19724	0.8
442.16440	0.8
463.56555	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	442.228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.2
61.02920	1.3
69.03432	11.7
71.04987	4.2
81.03436	6.7
85.02906	62.0
92.20969	1.2
97.02888	23.2
99.04454	24.7
102.18462	1.0
103.03944	81.3
104.08820	0.9
109.02900	12.8
127.03909	100.0
145.04955	47.0
163.06004	50.3
187.06007	1.6
271.08035	4.3
289.09109	11.3
307.10254	29.8
369.29947	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	442.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.1
55.05518	3.9
57.03229	0.6
57.03446	9.6
61.02642	1.0
61.02936	21.3
62.37243	0.6
69.03437	12.2
70.06586	4.8
71.04988	4.7
72.08134	0.8
73.02924	12.7
81.03434	5.8
81.07077	0.7
83.04996	0.9
83.08624	8.7
84.04478	0.8
84.08131	1.0
85.02910	100.0
86.09707	1.4
87.04480	6.2
91.03955	46.5
97.02895	32.4
97.85670	0.7
99.04450	6.3
103.03962	5.5
109.02891	6.3
110.07194	3.3
111.08077	2.8
111.86964	0.8
113.09642	9.5
115.03918	4.7
116.07112	0.8
127.03909	35.4
129.09174	1.3
129.10252	1.2
131.10670	7.7
139.07539	3.2
141.09113	1.8
145.03819	1.6
145.04965	45.7
145.10118	0.7
149.76874	0.7
157.08609	1.3
162.02220	1.0
163.06015	44.5
164.07144	0.8
175.09708	0.8
177.05432	1.5
186.56076	0.8
209.11725	1.2
213.11107	0.9
227.12775	3.4
231.12253	1.7
245.13821	7.3
263.14902	18.7
307.10306	1.0
325.11246	6.5
343.90173	0.8
442.20239	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	442.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31391	0.7
57.03467	0.9
61.02915	0.8
69.03429	7.2
69.19874	0.6
69.30111	0.6
70.06582	0.9
70.31091	0.6
72.08138	1.8
73.02937	1.6
74.25461	0.7
80.37022	0.7
81.03413	6.0
85.02908	57.3
86.09692	9.7
87.10049	1.6
97.02898	23.5
99.04460	19.4
102.06370	0.8
103.03946	80.6
105.21222	0.8
109.02877	14.2
115.03927	0.7
116.07128	1.5
117.33791	0.7
127.03914	100.0
145.04962	37.7
163.06021	37.1
163.07072	0.7
169.79703	0.8
170.94905	0.7
187.06024	3.1
205.07010	5.1
214.81331	0.8
215.13797	0.8
271.08075	5.9
289.09109	10.4
300.38538	0.8
301.19565	0.7
307.10214	30.0
307.13614	1.7
328.41812	0.7
329.18802	1.8
367.61432	0.8
407.19174	1.0
425.20279	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	442.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14445	0.7
55.01899	1.1
55.05513	4.1
57.03441	2.2
61.02933	22.8
61.80783	0.8
63.75145	0.8
68.56022	0.9
69.03439	7.6
69.07076	1.5
70.06593	1.7
71.04984	4.0
72.08163	1.0
73.02916	11.3
73.54439	0.9
74.45218	0.9
74.55180	0.7
77.74910	0.8
81.03416	1.6
81.46416	0.7
83.08616	8.8
85.02908	100.0
86.96149	0.8
87.04449	1.8
91.03960	37.6
93.07057	0.8
97.02890	24.4
99.04463	4.3
101.02294	0.9
101.09652	1.4
103.04007	1.4
109.02866	7.9
110.07162	2.0
111.08067	1.9
115.03924	1.7
125.09608	1.1
127.03922	29.5
144.01204	1.7
145.04961	36.5
157.08630	1.1
162.02237	4.1
163.06006	37.3
163.69533	1.0
168.06573	1.7
180.45839	1.0
192.97946	1.2
213.11134	2.0
216.16295	0.9
227.12746	1.2
231.12225	4.0
245.13817	5.6
263.14877	15.6
263.45767	1.0
271.08258	1.3
289.09198	1.0
325.11288	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	442.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38108	3.0
57.03435	4.9
58.68915	2.5
61.02898	3.2
63.83414	2.5
66.17734	3.1
69.03431	68.4
71.45431	3.0
85.02911	100.0
87.04473	71.1
97.02898	59.7
97.85627	3.6
99.04433	4.1
108.74053	2.8
109.02860	3.3
111.97856	3.1
115.03925	70.3
118.90037	3.4
124.09155	2.9
127.03917	24.6
128.07841	3.2
133.04973	66.9
133.46548	3.0
145.04971	30.6
148.69572	3.3
150.07607	5.6
163.06018	13.1
201.32950	3.0
225.44638	3.5
259.08035	3.8
293.19540	6.4
295.10181	12.3
351.00784	3.5
463.80844	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	442.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18423	1.3
57.03446	14.0
59.05001	6.0
60.04539	1.4
61.02922	2.5
62.68102	1.2
62.89792	1.3
68.99072	1.3
69.03430	63.2
73.02922	3.4
75.04499	5.2
81.03425	5.3
83.08634	1.5
85.02909	100.0
87.04468	70.2
91.03957	3.1
97.02892	77.1
98.28168	1.4
99.04474	6.9
109.02864	7.6
115.03933	86.7
117.89079	1.4
122.11263	1.3
123.23910	1.4
127.03907	26.2
133.03958	3.2
133.04967	81.1
145.04959	32.5
150.05229	1.8
150.07629	9.3
163.06064	10.8
169.04839	2.1
241.07060	3.2
259.08203	5.8
263.18503	1.8
277.09171	2.5
293.19562	2.9
295.10095	8.2
350.07639	6.5
354.32047	1.7
368.01450	2.0
442.12451	6.4
442.22668	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	442.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	6.6
57.03442	12.0
58.45918	0.8
59.05004	1.1
61.02934	11.7
64.73064	0.9
69.03429	25.4
71.01350	1.9
71.04986	1.4
73.02920	61.6
74.99215	0.9
80.52428	0.9
81.03429	4.4
85.02905	100.0
87.04462	4.5
91.03944	1.8
95.30450	0.8
97.02895	49.9
99.04472	5.2
103.03946	3.6
109.02879	9.9
115.03929	26.9
127.03919	30.7
133.04961	34.5
139.28044	0.9
145.04973	40.6
147.65704	0.9
150.07648	1.4
163.06023	17.6
193.04907	1.0
201.05917	0.9
223.06001	5.1
241.07137	5.4
259.08099	15.2
269.86600	1.0
277.09134	3.5
293.19516	3.6
295.10297	10.8
387.98489	1.1
442.26151	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	442.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.5
59.70366	0.5
69.07072	0.8
70.06596	100.0
72.08161	7.4
84.08140	0.9
86.09708	40.8
87.05607	1.0
100.07632	0.7
129.10242	0.6
133.06088	18.5
136.07614	0.8
146.06010	7.2
147.04350	0.6
155.83809	0.5
160.07507	1.0
169.13358	76.1
185.16484	6.0
194.08139	0.6
197.12857	26.9
199.18828	0.6
213.56360	0.5
222.76788	0.7
229.11876	1.1
246.14496	16.9
310.21237	12.2
424.84512	0.5
425.24042	4.3
442.26633	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	443.0847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72974	1.0
54.12486	1.3
61.88248	1.0
72.93804	2.0
74.40911	1.3
85.02914	1.7
90.94815	2.3
94.71793	1.2
95.98124	1.3
104.96365	1.5
109.02893	2.1
110.07097	1.4
110.26551	1.3
117.83752	1.3
128.53619	1.5
132.95836	10.0
144.95815	5.1
146.97412	2.1
150.96870	2.2
158.97403	16.1
162.96834	1.6
168.95808	11.3
170.97391	5.8
173.40860	1.3
174.96887	7.4
176.98462	9.8
186.96883	13.3
188.98386	9.8
198.96854	14.4
200.98457	6.5
204.97891	2.0
210.96915	5.5
212.98428	1.9
216.97940	22.6
222.96907	2.0
230.99515	2.2
234.98985	100.0
249.00554	6.2
253.00127	10.9
253.02541	1.4
267.01617	17.3
277.00034	22.4
288.99960	5.5
298.05820	1.5
301.00177	2.8
309.02731	15.8
312.99930	2.2
321.02670	6.7
379.03110	6.9
393.04669	1.9
411.05829	39.1
443.08365	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	443.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52079	0.4
74.53972	0.5
140.04073	0.5
198.30612	0.6
222.24631	0.6
308.39383	0.6
386.16275	4.6
411.10950	0.7
415.20175	100.0
443.23300	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	443.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
60.67308	0.4
65.12630	0.4
73.70972	0.5
76.68044	0.4
77.83890	0.5
79.30327	0.4
84.16584	0.4
85.94101	0.5
119.08563	0.5
140.54675	0.4
151.67433	0.5
156.42107	0.4
161.27129	0.5
164.58299	0.4
173.58444	0.4
177.44475	0.5
180.61169	0.4
199.52411	0.4
214.16823	0.5
293.17038	0.5
327.14938	0.7
386.16302	2.9
400.17737	0.7
415.20151	100.0
443.23279	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	443.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25106	0.3
56.01281	0.4
63.42399	0.3
67.52225	0.3
138.31384	0.4
228.81818	0.4
341.16342	0.6
380.64670	0.4
386.16492	2.8
400.17841	0.5
415.20145	90.8
442.14655	0.4
443.23273	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	443.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64165	0.3
55.05519	0.6
56.05035	0.5
57.03438	0.9
58.04092	3.2
60.05658	3.3
67.05502	1.0
68.05023	1.8
68.64795	0.4
68.88485	0.5
70.06599	0.9
72.04523	5.1
72.08156	1.0
74.05682	0.8
74.06081	18.6
74.50603	0.4
75.56684	0.4
76.05134	4.3
78.12967	0.4
79.05501	1.7
80.05016	8.0
81.07044	2.9
82.06575	1.1
84.04480	0.7
84.08125	1.6
86.09711	2.3
91.05506	0.6
93.07045	2.2
94.06570	2.7
95.08607	2.9
96.04494	7.5
96.05607	0.5
96.08109	0.4
97.10187	0.9
98.06048	0.8
99.05597	0.8
105.07057	0.8
106.06535	1.7
107.08604	1.8
108.04471	0.9
108.08096	3.3
109.10177	0.9
110.06044	3.1
110.07164	0.6
111.04803	0.4
111.08006	0.4
116.08213	74.5
118.05021	5.8
118.06511	1.1
119.08549	0.7
120.08100	6.6
121.10141	0.7
122.06049	0.6
122.09695	0.8
123.08083	0.5
124.07584	2.0
135.11707	0.8
136.07573	3.9
136.11191	0.5
138.09149	1.8
147.11734	0.7
150.09126	1.9
160.07153	8.6
163.11061	0.4
164.10689	3.7
164.14334	3.2
164.50032	0.5
169.99316	0.4
174.12759	2.0
177.09930	1.0
180.06602	0.9
180.13914	0.9
192.13814	13.9
194.15364	0.7
208.13292	5.2
210.14836	4.1
218.15421	0.7
220.13383	6.4
220.16960	0.6
222.14873	3.0
224.16458	0.8
230.15433	3.4
232.16972	8.1
236.12805	0.7
238.14354	7.5
248.16406	7.5
250.17969	5.4
264.15842	0.8
265.18979	0.4
266.17523	8.5
276.16434	0.6
292.15399	5.9
298.20032	3.4
310.16501	2.0
324.21893	1.9
340.21262	4.8
366.18808	0.6
381.24728	0.8
388.48361	0.5
399.25977	18.7
425.23959	2.7
443.24991	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.9
58.04095	3.1
60.05655	1.7
65.79958	0.7
66.85837	0.6
67.05507	1.2
68.05032	1.2
72.04525	3.8
74.06080	15.6
76.05130	3.5
80.05021	7.6
81.07034	2.3
88.24864	0.8
89.99470	0.7
93.07047	1.1
94.06549	2.6
95.08581	2.8
96.04500	7.4
105.07056	1.2
106.06581	1.4
107.08634	0.8
108.08112	1.4
109.10203	0.9
110.06046	4.7
116.08216	67.1
118.05019	4.6
118.06483	0.8
119.31637	0.9
120.08111	8.1
121.10143	1.0
124.07545	0.9
136.07597	4.7
138.09137	1.6
142.87260	0.7
145.10124	0.8
150.09084	0.8
160.07208	5.6
164.10715	2.7
164.14246	1.2
180.13826	0.9
192.13812	12.8
194.15518	1.0
208.13219	5.8
210.14873	0.9
212.67023	0.9
220.13377	5.3
222.14844	5.9
230.15387	2.9
232.16982	10.7
238.14482	1.3
248.16458	4.7
250.18059	0.9
264.15918	1.1
266.17542	2.7
284.18414	1.2
284.49796	0.8
292.15369	6.9
298.20029	3.2
324.21704	4.2
340.21191	8.8
357.23764	1.0
384.20483	1.2
399.25955	16.4
443.25006	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09015	0.6
61.56330	0.6
74.70467	0.6
92.20878	0.8
96.01866	13.1
97.02648	20.4
103.64076	0.6
110.87574	0.8
112.99968	0.7
113.02139	9.0
116.08231	2.9
118.00347	0.6
119.08630	0.7
139.03673	3.6
144.46960	0.7
156.03932	22.3
159.11719	0.8
169.04710	27.9
170.05521	0.9
183.06273	4.0
188.02980	1.1
193.04863	0.7
209.11522	5.7
211.09418	1.4
212.64919	0.6
240.13367	1.4
255.12090	0.9
262.57507	0.6
269.13559	0.9
285.82281	0.6
295.15134	0.9
303.40472	0.7
325.16278	2.7
359.32275	0.7
409.25522	1.1
423.29575	0.7
425.25342	1.4
443.26169	100.0
462.50189	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	443.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
77.32312	1.1
79.01620	1.4
82.54387	1.2
83.01122	1.7
93.07044	1.5
96.01866	12.7
97.02655	16.9
97.72552	1.2
113.02110	11.1
116.08253	2.8
139.03729	2.6
149.13290	1.4
156.03932	21.7
169.04724	27.0
183.06270	2.5
201.40125	1.3
209.11569	2.9
211.09657	2.4
239.42183	1.3
240.13179	1.5
255.12186	1.5
295.62994	1.4
325.16370	2.6
425.25552	2.3
443.26193	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38632	0.7
58.22075	0.7
60.05667	6.3
63.59817	0.7
63.83508	0.5
69.07071	5.0
69.74032	0.8
70.06593	15.0
72.08157	4.0
86.09710	100.0
110.48544	0.7
112.08757	3.3
113.07142	0.7
115.08693	4.4
116.07080	9.7
126.87000	0.7
128.10721	24.3
128.11681	1.5
130.09761	1.3
133.09734	1.0
156.10202	2.4
156.11328	14.0
158.09285	11.3
172.34726	0.8
175.11890	24.0
190.43552	0.8
199.16072	0.7
226.15695	1.0
239.65144	0.9
251.17680	0.9
271.17557	5.7
328.20233	0.9
363.19110	0.8
443.29776	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	443.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46293	0.5
52.88563	0.5
55.05515	1.0
57.07073	2.9
58.06605	0.9
60.39850	0.6
63.94320	0.5
67.05505	2.5
70.06594	6.1
71.08616	2.5
80.89874	0.6
81.07069	0.8
83.08632	0.9
85.10195	0.8
88.07115	1.2
88.07626	21.0
97.10168	3.5
99.04432	0.8
102.09177	13.8
105.07045	0.6
107.08607	4.6
108.57104	0.6
124.11226	1.2
125.09650	4.8
133.48575	0.6
135.08038	4.7
136.54784	0.7
137.16138	0.6
142.12274	2.8
152.10681	0.7
153.09073	1.3
170.11749	9.7
178.77130	0.6
197.11742	3.7
212.23665	4.4
214.14357	29.2
230.24535	0.8
256.26331	100.0
274.27451	4.5
283.39462	0.7
369.28494	0.6
377.32852	0.7
407.98218	0.7
425.31705	0.7
425.37112	0.8
443.23422	2.8
443.38409	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	443.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.6
57.07079	4.0
58.06593	0.7
61.99014	0.5
67.05511	2.5
69.07079	1.0
70.06588	5.4
71.08636	1.5
79.05505	1.2
79.95123	0.6
80.39524	0.5
81.07078	0.7
82.44003	0.5
83.08618	1.0
85.10184	0.9
88.07631	18.0
93.07064	0.9
97.10154	4.5
99.04465	0.8
102.09184	15.6
107.08607	4.8
109.10120	1.1
110.81481	0.7
124.11227	1.1
125.09595	5.0
135.08080	4.5
142.12273	3.8
152.10754	1.0
153.09077	1.5
170.11775	9.5
197.11775	4.5
212.23729	3.3
214.14386	27.0
215.12770	0.8
256.26340	99.6
270.23929	0.7
274.27197	4.9
387.40298	0.7
443.38434	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87473	0.4
55.05509	0.7
55.19199	0.5
57.07081	4.1
58.69972	0.5
60.29282	0.5
64.92812	0.5
67.05500	0.9
70.06603	6.2
71.08609	1.2
83.05539	0.6
83.08638	1.1
86.51031	0.6
88.07627	19.1
93.07038	0.9
97.10168	4.0
99.04466	1.1
99.89040	0.6
102.09188	11.3
107.08617	4.4
109.10151	1.2
124.11275	2.4
125.09643	5.2
135.08069	3.5
139.06190	0.5
142.12292	2.5
152.10722	1.1
153.09132	1.4
168.75769	0.6
170.11734	6.5
189.61880	0.6
197.11728	2.7
198.87883	0.6
212.23790	3.4
214.14374	29.9
256.26337	100.0
274.27457	4.8
400.48312	0.6
443.38443	87.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	6.7
57.07059	5.5
67.05511	24.6
69.07072	34.9
71.04996	18.7
76.13072	3.3
79.05484	14.8
81.06615	5.1
81.07059	93.7
83.08626	18.3
91.05479	4.2
93.07047	48.2
95.04977	3.3
95.08010	3.8
95.08604	85.0
97.10170	15.7
105.07069	23.6
107.08599	77.7
109.10161	100.0
111.11697	4.1
119.08557	36.1
121.10130	65.3
123.11697	54.4
125.09602	5.0
127.11182	23.0
131.08620	3.4
133.10121	33.2
135.11696	60.7
137.13228	20.0
145.10146	14.3
147.11705	38.5
149.13260	51.0
153.12732	5.6
159.11710	6.8
160.48738	3.3
161.13272	32.5
163.14813	23.1
173.13249	17.9
175.14792	26.9
177.16370	18.9
181.15846	3.4
187.14828	14.6
188.15630	3.2
189.16428	14.0
191.17848	3.9
201.16344	7.4
203.17955	17.9
215.17915	7.6
217.19536	5.7
229.19513	6.2
231.21024	7.5
259.24078	4.2
285.25705	4.8
407.36774	4.7
425.37833	85.8
443.38956	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	443.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	6.7
57.07059	5.5
67.05511	24.6
69.07072	34.9
71.04996	18.7
76.13072	3.3
79.05484	14.8
81.06615	5.1
81.07059	93.7
83.08626	18.3
91.05479	4.2
93.07047	48.2
95.04977	3.3
95.08010	3.8
95.08604	85.0
97.10170	15.7
105.07069	23.6
107.08599	77.7
109.10161	100.0
111.11697	4.1
119.08557	36.1
121.10130	65.3
123.11697	54.4
125.09602	5.0
127.11182	23.0
131.08620	3.4
133.10121	33.2
135.11696	60.7
137.13228	20.0
145.10146	14.3
147.11705	38.5
149.13260	51.0
153.12732	5.6
159.11710	6.8
160.48738	3.3
161.13272	32.5
163.14813	23.1
173.13249	17.9
175.14792	26.9
177.16370	18.9
181.15846	3.4
187.14828	14.6
188.15630	3.2
189.16428	14.0
191.17848	3.9
201.16344	7.4
203.17955	17.9
215.17915	7.6
217.19536	5.7
229.19513	6.2
231.21024	7.5
259.24078	4.2
285.25705	4.8
407.36774	4.7
425.37833	85.8
443.38956	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	444.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37186	0.3
55.05506	0.4
57.03445	4.1
59.04989	1.5
60.04508	0.5
61.26607	0.3
69.03435	18.3
69.08652	0.3
70.06594	2.7
71.74997	0.3
72.08170	0.8
73.02933	0.5
73.06562	21.1
76.04000	1.3
76.05106	0.5
77.22065	0.3
80.95818	0.3
81.03397	0.3
84.04543	0.4
84.08154	1.4
85.02910	13.4
86.06082	0.6
86.09703	2.5
87.04474	60.2
88.07620	0.7
97.02897	17.9
97.10178	0.8
98.64925	0.3
99.04437	0.7
101.06020	1.8
103.03928	0.4
105.05513	1.8
105.06633	0.3
107.41193	0.3
109.02902	0.4
109.78795	0.4
114.40576	0.3
115.03932	21.4
115.07572	32.2
115.11217	1.3
116.07098	2.1
120.89859	0.4
127.03936	1.8
129.10252	0.9
131.04903	0.8
133.04980	14.5
133.08609	100.0
137.69872	0.4
145.04962	2.8
150.07553	0.4
160.11238	0.7
168.64117	0.4
192.08878	0.4
216.09808	0.6
218.08148	6.8
259.08118	2.1
265.09235	0.6
277.09344	0.5
282.08020	1.8
295.10196	0.8
295.13715	0.5
305.15128	0.3
306.13312	0.6
329.18173	1.4
380.12836	0.4
421.14716	0.5
444.18530	0.6
444.24738	1.4
444.30499	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	444.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.3
58.32362	0.4
60.80636	0.5
67.05478	2.9
69.07063	1.0
79.05462	2.7
81.03402	1.1
81.07067	4.6
82.83818	0.5
83.08575	2.3
87.04428	0.8
91.05449	2.8
93.07021	3.1
95.04945	1.1
95.08579	1.0
97.10168	1.1
102.59228	0.6
107.08564	1.2
109.06456	0.8
109.10149	2.9
119.08595	1.0
121.10117	0.9
123.08035	0.7
125.09615	1.0
128.07048	0.7
133.10095	2.4
136.06189	100.0
146.08133	0.7
161.09564	0.8
162.07770	0.6
185.93915	0.6
190.02863	0.5
211.13141	0.6
244.15565	0.7
291.19385	1.3
309.20288	0.6
320.09131	1.0
444.25784	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	444.368
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15957	0.5
55.01898	0.6
55.05509	1.2
57.07077	2.7
58.94199	0.5
59.73773	0.5
62.46992	0.7
67.05499	1.6
69.07055	0.9
70.06596	6.1
70.73029	0.5
71.08623	1.2
78.74089	0.6
79.05500	0.7
80.55912	0.6
83.08629	3.2
85.10175	0.9
88.07629	22.1
88.08173	0.7
97.10156	10.7
101.09792	0.7
102.09177	16.2
107.08609	2.5
109.10230	0.8
125.09612	8.2
134.14380	0.7
135.08046	1.1
189.11197	1.4
192.50406	0.7
215.12784	80.1
256.26331	82.4
274.27310	6.4
416.20593	0.8
444.36823	100.0
460.70566	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	445.134
Annotation	Unknow
Peak:m/z	Relative Intensity
68.46276	0.4
85.02892	1.6
86.09727	0.7
89.03905	0.8
93.49017	0.4
93.80219	0.4
105.01909	0.4
117.03392	5.9
120.26310	0.4
129.10165	0.5
141.01788	1.8
145.02852	41.4
149.05974	2.3
152.89476	0.5
177.05467	100.0
307.48016	0.5
353.08698	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	445.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56348	0.4
54.66541	0.5
69.07034	0.4
70.06594	7.9
72.08177	0.5
81.03436	0.5
81.07044	1.8
84.04512	0.5
84.08155	2.2
85.02925	0.8
86.06071	0.8
86.09711	2.6
89.39082	0.4
116.07116	2.0
121.34597	0.5
128.61424	0.4
129.06650	0.5
129.10249	1.0
136.07614	0.5
138.09207	0.4
139.07339	2.2
167.07021	0.5
173.12840	0.5
177.05513	0.8
185.04250	3.0
201.12309	0.5
213.06198	0.8
214.37422	0.5
215.51295	0.5
221.05026	2.1
229.15436	4.9
273.83389	0.5
280.01999	0.5
283.11639	2.5
301.12537	2.8
329.08432	0.9
383.16803	6.7
385.14648	2.2
427.16272	0.9
445.16895	100.0
448.27911	0.6
458.37155	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	445.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
55.01865	0.5
58.91701	0.5
62.22644	0.5
69.03439	5.5
69.07075	0.5
71.04983	0.5
72.08155	0.9
79.05504	0.6
81.03419	5.8
81.23925	0.6
85.02917	12.9
86.09709	4.5
87.00827	3.9
93.07033	3.3
97.02888	5.2
99.04438	3.1
105.01871	3.8
105.07017	1.0
107.08607	14.8
109.02888	7.9
119.08582	1.0
121.06526	0.9
127.03922	9.5
129.01831	0.8
133.10127	10.1
135.11700	22.3
137.09676	0.6
145.04942	2.4
150.45758	0.6
150.83524	0.6
151.11166	1.0
159.02892	2.4
161.09604	9.7
179.10667	41.6
194.06128	0.6
197.11737	100.0
199.35373	0.6
213.03894	1.0
231.05042	3.0
260.01215	0.6
328.09872	1.0
354.42368	0.8
357.99069	0.6
445.17459	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	445.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	17.5
61.02930	2.3
69.03435	83.6
70.06591	3.5
72.08160	9.0
73.02933	3.3
75.04489	2.2
75.13309	1.9
81.03423	4.3
85.02906	57.2
86.09709	33.3
87.04474	75.4
97.02270	3.4
97.02894	100.0
99.04495	3.0
101.77497	2.2
103.03944	4.9
109.02863	3.2
115.03932	98.3
127.03917	20.5
133.03963	3.1
133.04970	90.1
134.06004	18.0
135.40172	2.1
137.08008	2.3
145.02866	3.6
145.04953	10.5
150.07631	13.9
158.06027	10.2
177.05441	10.6
199.18044	4.0
211.16412	2.3
219.13380	3.3
223.05942	2.8
248.09186	4.9
259.08105	13.3
266.10370	29.4
295.10184	11.5
428.15216	15.1
445.15903	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	445.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27082	0.4
56.32338	0.4
92.21606	0.8
100.22090	0.5
110.07111	0.5
120.81667	0.5
284.94495	0.5
333.07877	0.7
373.08679	0.6
445.20435	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	2.6
57.03432	2.5
57.07087	1.6
67.05512	10.6
67.94848	1.1
69.07067	5.4
71.04998	1.4
79.05494	12.7
81.03410	1.6
81.07060	19.2
83.08624	4.7
85.06533	1.5
88.85913	1.2
91.05473	10.6
93.07055	15.1
94.89644	1.1
95.08609	14.3
97.06531	1.9
97.10141	1.2
105.07033	15.6
107.08604	12.1
108.39526	1.2
109.10181	6.7
113.00021	100.0
115.29084	1.1
117.07046	2.2
118.51727	1.2
119.08570	26.7
121.10123	10.2
123.11694	1.2
129.05489	4.9
129.07002	2.2
131.08537	9.6
133.10141	18.8
135.11691	10.5
136.06181	1.8
140.77238	1.3
143.08569	1.8
145.10135	13.5
147.11702	19.3
147.92455	1.4
149.13255	8.5
150.07773	5.1
157.10153	7.0
159.11661	14.9
161.13255	22.5
169.02579	18.0
171.11681	11.4
173.13268	8.3
175.14822	19.4
185.13246	8.0
187.03690	12.5
199.14841	6.6
215.17935	4.9
217.19539	2.5
231.21045	2.9
241.19493	30.3
243.20903	1.7
259.20560	42.8
283.26349	1.5
288.87683	1.4
315.22971	1.4
333.24243	50.3
406.97168	1.6
411.80487	1.5
427.22446	26.0
445.23370	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	445.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	0.8
56.05042	7.5
58.04110	0.7
60.04543	0.9
62.19582	0.6
65.30514	0.7
67.05504	3.1
68.05032	3.3
69.04556	1.2
70.06557	0.8
71.04972	0.7
71.86562	0.8
72.04511	3.4
74.02435	3.6
74.06081	6.0
74.47321	0.7
76.05132	3.6
79.05503	1.4
80.05020	1.5
81.03440	1.1
81.04545	4.0
81.07053	3.0
83.06098	3.0
83.08611	1.6
84.04507	1.6
84.05605	0.9
86.13380	0.7
88.05138	1.0
88.37041	0.6
91.05498	0.9
93.07039	1.5
94.06589	0.8
95.04958	14.3
95.08616	3.1
96.04597	0.9
96.05622	24.6
97.06532	0.8
97.10158	1.1
97.68539	0.6
100.54491	0.6
102.05561	5.6
105.07015	0.8
106.06520	1.0
107.08601	1.2
108.05618	5.5
109.06410	4.1
109.10167	3.5
110.07161	9.2
112.05087	23.8
112.54882	0.7
114.06619	1.0
116.08221	1.5
118.05007	1.1
120.06602	1.0
120.08042	0.7
121.06511	0.9
126.06663	10.4
128.08220	4.3
133.10129	0.9
134.07182	3.1
138.06668	1.7
142.06111	0.8
142.18542	0.7
144.66745	0.7
145.10167	3.4
153.87373	0.7
155.10716	0.8
159.11687	0.9
170.09288	1.8
171.08595	0.8
174.33299	0.7
187.11139	1.4
191.62817	0.7
204.13788	0.8
212.16229	0.8
237.14812	1.8
244.14528	0.7
253.87700	0.8
254.18654	0.7
286.40659	0.7
294.18277	0.9
312.19153	16.1
344.21820	4.9
400.24420	1.0
413.23895	21.0
445.26587	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05545	0.3
69.07069	2.9
70.06586	2.0
70.86266	0.3
72.08160	12.2
74.06071	0.4
84.04548	0.3
84.08163	0.7
85.02870	0.3
86.09710	100.0
97.02911	0.6
100.07626	0.6
102.05533	0.6
116.07115	0.4
120.06591	1.7
120.08070	0.6
121.02898	0.6
128.07094	0.7
129.10213	0.6
135.83473	0.3
145.02855	3.1
148.06071	0.4
155.58034	0.3
157.13368	1.4
177.05473	5.8
184.13371	1.7
185.12953	0.6
185.16493	23.1
196.93288	0.3
197.08034	0.4
201.15965	0.6
213.15979	16.3
215.13914	2.1
233.14958	18.7
236.10963	0.4
245.18605	0.4
261.14551	1.9
281.22180	0.8
326.24356	7.4
420.78909	0.3
427.29245	1.5
445.16644	0.6
445.30310	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	445.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19926	0.6
55.05516	1.5
56.05042	9.8
58.04113	0.8
60.04525	1.6
67.05502	1.7
69.07080	1.3
72.04510	1.3
74.02444	3.0
74.06084	6.5
76.05127	1.1
77.70500	0.7
79.05478	2.4
81.07068	1.6
82.12556	0.7
83.06108	1.0
83.08609	1.8
85.06563	1.4
88.95222	0.8
93.07066	1.8
93.96676	0.7
95.04952	1.0
95.08623	1.4
97.10168	1.5
98.09676	1.4
100.11277	3.0
102.05544	3.4
103.28780	0.8
107.08616	3.5
108.08115	1.6
109.10160	1.7
116.08215	2.8
116.10764	1.1
117.78422	0.8
118.06145	1.4
119.08585	1.0
120.06595	2.8
120.81229	0.8
121.10131	1.6
124.11214	6.3
125.09775	1.5
125.10751	19.2
126.12804	0.9
126.86543	0.7
128.28658	0.7
134.09677	0.8
136.06195	1.2
136.11133	0.7
139.11232	0.9
139.47519	0.7
142.12225	0.9
149.09622	1.0
152.10725	2.5
152.11850	11.5
154.12250	3.2
154.16183	0.7
160.07245	1.0
166.13327	2.7
170.11771	5.5
172.13388	3.9
179.11836	1.5
184.14499	3.3
186.34598	0.7
188.12880	3.5
197.12892	3.3
197.42854	0.8
200.12823	1.4
217.15555	0.9
224.13960	1.4
228.15842	1.2
238.15396	1.5
270.17123	4.2
271.17249	5.5
272.14746	2.3
276.20810	3.1
289.17526	3.8
294.21735	6.4
296.23517	3.1
300.41296	0.9
312.22803	55.2
313.24594	0.8
338.01074	0.9
344.25565	3.4
368.25534	2.9
388.07062	0.8
407.73486	0.8
413.27600	28.2
427.28116	0.9
445.30206	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	445.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54562	0.9
56.05047	6.3
60.04539	1.4
60.54730	0.9
67.05505	1.8
69.07069	1.3
71.05017	1.7
72.04517	4.0
72.84549	0.9
74.02456	1.6
74.06087	7.0
75.08514	1.0
79.05514	1.1
81.07071	3.7
85.02926	3.8
85.06492	1.2
91.05515	1.1
93.07059	1.1
95.08620	1.7
98.09714	4.9
100.11270	9.6
102.05560	5.2
109.02871	1.5
109.10159	1.5
111.08083	1.1
113.00130	1.4
116.08240	4.6
116.10694	8.0
118.06186	1.4
120.06609	2.2
134.09712	4.2
135.11752	1.4
136.06235	5.9
136.11288	1.1
147.11708	0.9
152.10767	6.0
154.12350	1.6
156.13890	1.1
160.07230	2.1
162.09183	1.3
166.13478	2.1
172.13383	1.4
176.77798	1.2
179.11751	6.8
184.07210	1.4
197.12914	7.2
200.12820	10.0
206.13026	2.0
211.13689	1.0
217.15596	4.0
224.14084	7.3
242.21523	1.0
256.16608	2.4
273.15280	1.1
285.12036	1.8
294.21887	6.2
296.23422	2.2
312.22797	46.4
326.24503	1.5
344.25754	2.0
368.25208	3.5
386.96414	1.0
413.27554	19.1
427.28775	1.6
440.80969	1.1
445.30411	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	445.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
62.45591	0.6
87.50150	0.5
89.07975	0.5
90.80949	0.5
99.12213	0.5
127.02538	0.6
257.27011	0.9
445.34018	100.0
445.38895	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	445.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98050	0.5
55.01884	1.0
67.05501	0.7
69.07064	2.4
71.03446	0.5
72.08207	0.6
73.02905	1.4
74.06074	0.8
80.36453	0.6
83.08633	6.8
86.09695	0.7
88.07584	0.7
93.07027	1.4
95.08626	5.1
95.09116	0.6
99.04472	8.4
110.09680	1.1
111.08096	8.8
121.06520	2.8
128.10719	8.3
138.09135	8.8
139.07544	17.5
156.10181	11.2
157.08594	3.8
182.11794	12.2
183.08498	0.9
183.10159	41.5
200.12813	100.0
201.89153	0.7
242.24861	1.0
261.40942	0.6
397.34775	0.9
423.80383	0.7
445.36346	85.2
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
52.45248	0.5
55.01885	1.0
55.05517	1.0
56.26276	0.5
69.07076	1.2
72.99376	0.5
73.02911	1.4
83.08624	5.8
86.09686	0.9
88.07634	1.4
88.54297	0.7
93.07043	1.5
95.08597	3.0
99.04459	8.3
103.13110	0.6
104.07120	0.9
110.09688	3.5
111.08085	6.7
114.09222	0.6
121.06527	1.3
127.06170	0.7
128.10704	6.9
128.41658	0.7
138.09126	4.9
139.07545	20.9
155.10715	1.0
156.10173	11.0
157.08612	4.0
182.11775	11.4
183.08987	0.7
183.10165	41.7
200.12811	100.0
218.17856	0.7
242.24715	1.1
261.95029	0.7
349.71570	0.7
397.34302	1.2
445.36362	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	446.202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21568	0.5
53.03594	0.6
53.03965	0.6
61.02927	1.1
65.39151	0.6
69.03434	5.8
71.04993	1.4
72.91631	0.6
73.02927	1.5
79.05491	2.8
81.03403	4.6
84.56734	0.6
85.02908	55.7
87.04424	0.8
91.85643	0.7
97.02889	19.6
97.29287	0.6
99.04452	16.6
103.03944	98.3
105.07034	100.0
107.08551	0.6
109.02874	10.6
127.03911	91.2
143.08493	0.9
145.04959	47.7
159.08008	1.1
163.06010	46.7
167.08566	0.7
169.04947	0.7
187.06026	2.4
202.17413	0.7
205.07126	1.6
213.09145	2.6
231.10150	1.1
233.95410	0.7
247.07990	1.3
271.08112	7.7
273.11456	0.9
289.09122	10.6
291.12268	1.2
307.10229	46.6
393.15277	1.1
405.08228	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	446.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63063	0.5
54.35152	0.7
55.05498	0.6
56.05044	0.6
57.82172	0.6
60.04543	0.9
60.05645	0.9
70.06601	6.3
72.08162	13.1
74.06082	1.2
75.05619	0.7
78.40643	0.7
83.69434	0.6
84.04495	3.8
84.08147	45.9
86.09709	16.3
96.83122	0.6
99.87900	0.6
101.07133	1.4
101.10773	3.3
102.05566	1.5
103.05453	1.7
112.08745	1.6
115.08662	0.8
117.80709	0.8
120.08104	100.0
129.06636	1.4
129.10249	30.1
130.05008	3.4
131.04909	4.7
132.10185	1.5
133.06100	1.7
143.11803	1.0
147.07704	2.7
149.06015	3.1
155.07996	0.9
159.07695	1.1
166.08632	54.1
187.10706	1.3
197.10364	1.0
216.09666	0.7
226.11902	1.5
228.13472	0.9
232.12885	1.3
234.10759	2.8
240.13492	1.5
241.81409	0.7
263.76624	0.9
411.21384	0.7
424.53854	0.8
446.12646	0.9
446.26309	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	446.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.11095	1.1
61.02940	1.1
62.11715	1.1
68.55197	1.5
69.03426	11.3
70.06610	1.4
71.05010	1.6
81.03424	5.8
85.02908	66.9
86.09713	1.7
97.02895	25.0
99.04442	18.3
103.03947	86.6
105.07034	7.8
106.39534	1.3
109.02884	15.9
127.03912	100.0
141.58392	1.2
145.04967	33.7
163.06001	29.0
174.77707	1.3
187.06042	1.5
205.07079	8.6
271.08206	2.7
289.09186	12.2
307.10236	44.0
370.90799	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	446.261
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23413	0.4
54.81414	0.4
55.05522	0.5
57.60107	0.4
60.04532	1.0
69.07052	3.9
70.02964	0.6
70.06596	4.4
70.20560	0.4
72.08157	3.3
74.06104	0.5
79.70468	0.4
84.04521	0.6
84.08139	3.0
84.99736	0.4
86.09711	100.0
87.05116	0.5
87.05563	3.8
88.03989	0.8
88.84433	0.5
102.05554	0.8
106.05042	1.1
110.07172	1.9
112.00037	0.5
112.69839	0.4
113.10783	0.6
120.08183	0.7
123.52715	0.5
124.07559	0.8
129.10251	2.7
138.09119	0.8
141.10220	5.0
143.11771	1.6
155.11786	3.7
159.11287	0.6
161.49303	0.5
166.08701	0.7
171.11307	2.0
177.09854	0.6
183.11307	13.0
200.13925	14.5
201.12457	0.5
203.25298	0.4
205.66484	0.5
211.10799	5.7
219.13361	6.1
228.11140	0.8
228.13437	24.0
258.14240	0.5
273.41846	0.5
281.47256	0.5
296.19656	0.8
298.13950	0.5
313.22348	0.6
315.16452	0.8
321.39822	0.5
333.17639	1.0
341.21811	12.1
428.24933	3.2
429.23502	2.8
446.13327	1.1
446.26358	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	446.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.9
57.38578	0.4
67.05490	2.2
69.07078	1.1
70.05172	0.4
77.01588	0.4
79.05486	1.8
81.03433	2.0
81.07060	3.2
83.04978	0.5
83.08633	1.9
91.05470	1.8
93.07048	2.5
95.04966	0.9
95.08620	2.4
97.10166	0.8
105.07044	1.1
107.04955	0.6
107.08595	2.1
109.10166	1.1
111.04396	0.6
113.00024	0.6
119.08569	2.1
121.10126	0.6
131.08568	0.7
133.10136	2.0
136.06194	100.0
142.59978	0.5
146.08124	0.6
147.11691	0.6
154.69614	0.5
163.11270	0.5
200.22691	0.5
211.13298	0.9
261.91928	0.4
293.21069	1.9
311.22003	1.7
314.25491	0.5
320.09204	2.3
332.16443	0.4
346.18771	0.6
446.27579	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	446.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.9
57.38578	0.4
67.05490	2.2
69.07078	1.1
70.05172	0.4
77.01588	0.4
79.05486	1.8
81.03433	2.0
81.07060	3.2
83.04978	0.5
83.08633	1.9
91.05470	1.8
93.07048	2.5
95.04966	0.9
95.08620	2.4
97.10166	0.8
105.07044	1.1
107.04955	0.6
107.08595	2.1
109.10166	1.1
111.04396	0.6
113.00024	0.6
119.08569	2.1
121.10126	0.6
131.08568	0.7
133.10136	2.0
136.06194	100.0
142.59978	0.5
146.08124	0.6
147.11691	0.6
154.69614	0.5
163.11270	0.5
200.22691	0.5
211.13298	0.9
261.91928	0.4
293.21069	1.9
311.22003	1.7
314.25491	0.5
320.09204	2.3
332.16443	0.4
346.18771	0.6
446.27579	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	446.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67258	0.3
53.94928	0.3
55.05503	1.4
67.05499	2.4
68.75494	0.3
69.07066	0.8
73.15250	0.3
79.05486	1.9
81.07043	3.1
83.04990	0.6
83.08614	0.5
86.71042	0.4
91.05490	0.9
92.21078	0.4
93.07039	0.7
95.04995	0.4
95.08591	1.7
105.07042	0.6
107.08599	0.9
109.10159	1.9
114.19635	0.4
119.08553	0.8
123.11686	0.4
131.08612	0.4
133.10135	2.3
135.11649	0.7
136.06189	100.0
137.09700	0.4
146.08139	0.5
147.11732	0.5
159.35022	0.3
160.92668	0.4
162.07808	0.5
237.81209	0.4
251.32080	0.4
287.30408	0.4
320.09192	14.7
334.24796	0.6
446.19736	5.3
446.27585	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	446.296
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34703	2.0
59.05006	100.0
59.05307	3.4
62.39695	2.4
71.70930	2.0
73.06547	2.2
86.09712	20.2
87.04480	4.2
89.06033	86.1
98.06067	2.2
100.95340	1.8
103.07583	81.6
114.25431	2.0
117.09132	2.0
131.80815	1.9
133.08617	33.9
147.10193	24.5
177.09883	2.1
177.11240	12.8
188.06989	2.9
191.12842	2.8
224.95407	1.9
385.23758	2.2
429.26880	75.1
446.29816	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	446.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33273	0.5
53.07276	0.4
56.05036	1.0
60.04536	1.1
64.63461	0.5
67.05525	0.6
67.13414	0.5
69.03456	0.6
69.07063	1.2
69.67295	0.5
70.06594	6.6
72.08165	0.7
74.08730	0.6
79.05483	0.6
81.07013	0.6
85.02911	0.6
86.09703	1.2
88.07639	11.9
95.08609	0.6
97.10178	0.5
97.21775	0.6
101.76126	0.5
105.07046	1.1
106.08674	100.0
107.08612	0.8
109.06504	0.6
109.10155	3.4
119.08598	0.7
120.41737	0.6
125.09631	1.0
127.03902	0.8
135.02376	0.6
137.05995	3.9
137.09613	0.7
153.13878	1.2
154.12271	48.1
159.09132	6.1
166.66238	0.6
168.13879	2.2
170.11705	1.3
171.14917	26.5
188.06961	1.1
196.09769	0.9
201.75273	0.6
231.53284	0.7
259.20184	7.0
305.22247	2.4
306.20682	2.5
323.23279	2.2
341.24350	30.2
341.28525	1.0
391.90558	0.6
428.18295	2.3
428.23715	0.6
446.12421	0.6
446.19431	0.7
446.26782	0.7
446.32285	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	446.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09487	0.4
55.05506	2.4
56.59639	0.4
59.44022	0.4
68.53754	0.4
69.07080	3.2
83.08625	17.2
93.07029	0.9
95.08578	0.5
99.04447	1.1
111.08090	6.5
119.08580	0.7
129.09050	0.6
135.21837	0.5
139.07629	0.7
157.08653	3.3
175.09656	0.9
177.60428	0.5
183.10165	3.3
190.52802	0.5
201.11220	100.0
256.26563	0.6
272.79858	0.5
384.50711	0.4
418.21066	4.9
446.24146	4.6
446.34744	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	446.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.3
55.05519	2.6
69.07072	2.8
69.55816	0.3
73.02900	0.5
81.07045	0.3
83.08624	15.1
87.04450	0.4
87.08111	0.5
88.07614	0.6
93.07006	1.8
95.04951	0.3
95.08591	1.1
97.06484	0.3
99.04427	1.1
102.48555	0.3
111.08074	7.3
121.06423	0.4
129.09062	0.7
136.06166	2.0
139.07552	1.3
157.08623	3.2
175.09642	1.7
183.10178	2.3
201.11214	100.0
242.24773	1.6
251.77246	0.3
398.32748	0.4
418.20883	2.2
446.24487	3.0
446.34811	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	446.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03920	0.5
55.05518	1.3
63.53097	0.5
67.08637	0.6
69.07061	3.0
76.68115	0.6
79.05495	0.8
83.08622	16.8
93.07040	1.1
111.08089	7.1
119.31273	0.6
129.09077	1.0
131.51561	0.6
132.43176	0.6
139.07561	1.1
145.26241	0.7
157.08580	2.4
175.09610	3.0
183.10205	2.7
201.11221	100.0
225.32671	0.6
229.40709	0.6
278.46155	0.6
314.12509	0.6
446.25009	1.0
446.34729	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	446.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29171	1.9
55.05199	1.7
65.02178	2.1
71.17688	2.5
88.07639	2.5
90.66095	2.2
119.08577	4.7
128.71097	2.0
149.58983	2.6
228.64018	2.4
302.24506	90.6
446.35925	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18891	1.0
52.83352	1.0
53.42431	1.0
53.67753	1.1
57.07080	2.7
59.20423	1.0
64.58291	1.1
65.83187	0.9
70.06593	10.3
71.08629	2.0
72.08136	1.5
84.08146	1.6
86.09691	1.7
88.07622	8.1
92.20882	2.3
95.36573	1.2
102.09167	5.4
113.02601	1.1
132.10216	11.7
136.43704	1.4
146.11749	10.8
160.80063	1.2
296.33258	1.9
322.34988	1.9
338.37497	1.2
340.35696	35.2
384.38324	60.3
405.34863	1.3
446.42035	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	3.6
58.06603	0.5
60.28155	0.5
70.06596	11.3
71.08629	2.5
72.08151	0.9
77.77708	0.5
85.59285	0.5
86.09691	0.9
88.07632	9.2
91.21040	0.6
102.09184	6.7
132.10211	10.1
146.11758	9.9
148.05133	0.6
150.05551	1.3
184.18933	0.6
247.96207	0.6
256.66928	0.6
296.33109	2.4
322.34796	2.4
340.31592	1.3
340.35733	33.4
363.72891	0.6
384.38358	58.6
428.40967	2.4
446.42078	100.0
464.99585	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45076	1.0
51.79430	1.1
56.10657	1.0
57.07084	4.5
70.06608	11.2
71.08626	1.1
72.08167	1.3
73.06219	1.1
84.41941	1.0
86.09722	1.4
88.07634	2.7
92.20975	1.1
102.09195	2.0
132.10243	12.0
146.11746	8.9
215.33932	1.0
230.49095	1.3
277.34290	1.1
340.35779	27.7
384.38354	66.6
446.42078	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.128
Annotation	Unknow
Peak:m/z	Relative Intensity
75.42001	0.2
75.47567	0.2
85.74927	0.2
97.34109	0.2
116.04967	0.2
129.63846	0.2
131.54291	0.2
167.03410	0.3
177.70551	0.2
203.34448	0.2
225.30757	0.2
242.05750	0.3
270.05099	0.9
285.07559	100.0
447.12842	19.5
448.77438	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	447.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23409	0.4
52.69387	0.4
61.97805	0.4
71.05026	0.4
73.08208	0.4
85.02892	0.9
115.85522	0.5
119.66525	0.6
257.18402	0.5
270.05228	2.7
285.07568	100.0
301.07056	7.3
313.06976	2.2
343.08093	2.1
373.09280	0.8
379.59769	0.6
419.33450	0.5
423.35522	0.6
447.12817	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	447.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50506	0.2
61.02925	0.5
61.25106	0.2
62.88614	0.2
67.05532	0.2
69.03429	0.5
81.03429	0.4
85.02898	3.7
85.83839	0.2
92.20872	0.3
92.21383	0.8
97.02885	1.3
109.02914	0.3
114.09147	0.4
121.02841	0.5
127.03905	0.8
147.11694	0.3
158.99622	1.0
163.03918	0.3
242.05707	0.4
270.05154	1.3
285.07565	100.0
426.20905	0.6
426.70972	0.4
447.12506	1.0
447.22552	0.4
447.34201	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	Unknow
Peak:m/z	Relative Intensity
59.93748	0.2
69.69806	0.2
72.58055	0.2
89.83389	0.2
118.05060	0.2
189.61087	0.2
242.05719	0.4
270.05115	2.3
285.07565	100.0
447.12790	4.4
447.22607	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	447.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
65.13135	0.2
67.91826	0.2
116.24401	0.2
119.66500	0.2
136.73285	0.3
137.02328	1.4
180.96918	0.2
225.05527	2.0
229.08551	0.4
253.04985	3.2
270.02353	0.4
270.05219	9.5
285.07571	100.0
447.12848	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	447.248
Annotation	3'alpha-Isopravastatin
Peak:m/z	Relative Intensity
53.38367	0.6
57.03418	0.9
57.06079	0.7
57.06833	0.7
57.07078	7.5
57.10618	0.6
64.97573	0.7
67.05482	1.1
69.07073	0.9
71.08624	4.6
73.67870	0.7
80.13765	0.8
81.07047	1.0
83.08626	1.0
85.10194	3.8
95.08615	1.7
97.10146	1.4
109.10105	1.8
111.72214	0.8
123.11830	0.8
124.37415	0.7
134.98187	13.4
135.82440	0.8
143.23802	0.8
180.73627	0.8
209.01839	3.9
267.69418	0.9
294.01508	1.0
313.27417	7.9
313.36090	0.8
447.24802	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2482
Annotation	3'alpha-Isopravastatin
Peak:m/z	Relative Intensity
51.56188	0.5
55.05520	0.7
57.03434	1.2
57.06864	0.5
57.07079	8.6
62.37021	0.6
66.01572	0.6
67.05529	0.9
69.07074	0.7
71.08285	0.6
71.08630	6.3
81.07044	1.0
83.08633	1.1
85.10147	2.6
91.51367	0.6
95.08594	1.5
97.05235	0.6
97.10146	0.9
101.80090	0.6
109.10150	1.7
116.06696	0.7
132.39252	0.7
134.98181	13.2
209.01819	4.3
313.27319	7.5
447.24777	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2505
Annotation	MC-207,110
Peak:m/z	Relative Intensity
51.38326	1.0
53.01204	1.1
53.36527	1.0
54.06981	1.1
55.05516	5.6
55.89548	1.1
57.03447	8.6
57.07078	1.7
65.03931	1.3
67.05511	34.9
67.20213	1.2
69.07086	9.4
73.24330	1.1
79.05505	17.5
81.07064	36.7
83.08630	6.0
85.06503	1.4
90.57400	1.3
90.87239	1.3
91.05471	6.9
93.07050	22.3
95.08609	41.0
105.07032	5.8
107.08593	19.0
109.10165	15.6
113.00023	60.9
119.08576	10.0
121.10146	13.1
123.11713	6.2
131.08582	5.4
133.10120	7.6
134.91292	1.2
135.11691	10.1
137.13202	1.2
145.10095	4.7
147.11655	2.8
149.13237	6.0
157.73796	1.4
159.11707	3.0
169.02599	15.7
173.13345	2.8
187.03662	2.7
221.88387	1.5
243.21104	6.9
261.22137	13.2
279.23068	1.4
281.61630	1.5
317.24854	2.7
335.25803	100.0
429.23865	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	447.2505
Annotation	MC-207,110
Peak:m/z	Relative Intensity
50.29498	0.9
51.32178	1.0
51.80115	1.0
55.05513	5.3
57.03436	6.4
57.07086	2.8
67.05513	22.9
69.07072	5.3
79.05497	16.1
81.07056	28.3
83.08627	2.8
91.05479	8.2
93.07043	22.5
94.23325	1.2
95.08598	23.0
105.07040	7.0
107.08611	14.2
109.10172	14.1
113.00019	100.0
119.08572	9.4
121.10140	16.2
123.11674	4.9
131.08580	7.4
133.10152	7.8
135.11699	10.9
137.13225	1.8
145.10107	5.9
147.11676	6.3
149.13251	9.3
151.14844	1.4
159.11746	5.3
161.13254	2.6
163.14809	2.8
169.02612	65.6
171.39296	1.3
173.13321	4.8
187.03632	9.7
187.14821	1.6
243.21077	8.0
250.47058	1.4
261.22107	26.8
270.19788	1.3
317.24814	5.2
333.67740	1.5
335.25803	46.8
429.23920	20.3
447.24738	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	447.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57405	0.6
55.05511	0.6
56.05045	9.3
58.04092	0.8
67.05517	6.6
68.05032	1.7
68.35659	0.6
69.03394	0.9
69.04549	1.2
69.05487	0.8
69.07065	0.6
70.06602	4.4
71.04990	8.6
71.91358	0.7
72.04518	3.9
72.08140	0.7
74.02446	1.0
74.06078	5.5
76.05143	3.8
81.07055	1.2
83.08627	1.2
84.04509	1.0
86.06071	0.9
86.09728	3.8
87.04448	1.1
91.05487	1.6
93.07035	3.0
95.06113	0.9
95.08617	4.8
96.05618	21.3
98.07173	1.3
98.92677	0.7
99.05566	1.0
99.07971	1.0
102.05550	3.5
104.05322	1.6
105.83977	0.8
107.08616	0.8
108.05587	1.3
109.10158	22.8
110.07180	8.0
111.07954	8.3
111.10278	0.7
112.05077	5.4
112.08722	1.5
114.06663	1.8
116.08237	6.0
118.05013	1.7
119.08553	5.5
120.06617	1.6
120.08111	1.7
122.07143	2.8
128.07323	1.4
128.08182	12.1
133.10173	1.5
137.09605	14.5
142.06836	0.9
142.09784	3.2
144.10197	1.6
150.06648	1.4
155.10626	8.4
157.13377	1.2
159.09109	0.8
160.07162	1.7
168.11357	4.2
173.11729	19.3
177.09946	1.6
187.13344	1.5
196.13434	0.9
212.10362	2.8
212.16422	1.5
215.11407	5.2
220.14526	1.0
229.12918	9.0
239.16389	0.8
239.70361	0.9
246.16104	3.6
252.46638	0.7
264.17059	3.1
266.18634	3.1
270.18063	2.9
282.18179	1.9
285.07471	1.1
285.91565	0.8
298.21313	3.2
314.20706	9.5
319.08560	3.7
334.10767	3.6
334.86215	0.9
346.23431	1.0
370.23492	0.9
371.22803	1.4
383.23221	1.1
415.25565	23.9
447.11649	1.6
447.28210	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05044	12.3
56.16956	0.8
67.05516	9.1
68.05039	1.0
70.06600	4.2
71.04990	7.7
72.04518	3.8
74.02446	1.2
74.06087	2.3
76.05135	3.7
79.05517	1.0
81.07072	1.8
86.09715	1.7
91.05508	1.7
93.07066	1.4
95.08623	5.1
96.05625	17.3
98.07169	1.2
99.05606	3.9
102.05572	5.4
107.03819	0.9
107.08635	1.2
109.10163	24.3
110.07187	8.8
111.08006	4.6
112.05111	5.4
114.06653	1.8
115.05073	1.5
116.08221	8.4
118.05032	2.4
119.08611	6.4
120.06618	5.1
120.08211	1.1
122.07204	1.0
126.11015	1.0
128.08205	11.3
133.10164	1.1
137.09636	15.0
142.09792	2.2
154.06197	1.3
155.10692	12.7
157.17992	1.0
160.07240	4.0
168.11385	4.6
169.12280	1.7
173.11746	15.0
177.09879	2.1
187.13393	1.7
196.13303	1.3
201.15018	1.2
212.10394	1.5
215.11357	10.0
229.12936	6.9
235.83182	1.1
239.16507	1.2
246.16161	5.9
264.17065	1.8
266.18698	2.3
282.18179	2.1
285.07758	1.9
298.21402	2.0
314.17551	1.5
314.20587	8.7
346.23489	4.4
365.61093	1.1
415.25549	28.8
447.28336	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.6
56.05042	6.8
67.05508	3.2
67.39213	0.5
69.04579	0.6
70.06588	0.8
71.04989	3.2
72.04517	1.3
74.02453	2.5
74.06081	3.8
76.05117	1.2
78.41650	0.5
79.05504	0.6
80.05000	0.8
81.07057	0.6
83.06063	0.6
83.08658	0.7
91.05443	0.6
95.08604	2.1
96.05611	22.4
96.08101	0.7
98.07191	0.8
99.05592	1.1
102.05550	2.6
108.05614	2.5
109.06541	0.7
109.10142	7.8
110.07165	5.3
111.07986	2.4
112.05124	0.9
112.08711	1.0
114.06668	1.3
114.53852	0.5
115.25354	0.5
116.08221	8.5
118.05043	2.8
119.08588	3.0
120.06630	1.0
123.07943	0.5
124.11234	0.8
126.10339	0.7
128.08235	3.1
133.10129	0.9
135.07744	2.3
136.08777	1.0
137.09624	5.9
140.08211	1.2
142.09714	0.7
150.82426	0.5
152.10692	1.0
154.09798	0.9
155.10686	4.0
160.07227	1.3
168.11369	1.0
173.09212	0.6
173.11761	5.0
177.09888	2.4
192.15033	2.3
198.08665	0.6
212.10321	1.2
212.16475	3.1
215.11357	4.9
220.14441	12.9
229.13036	3.2
238.15532	0.8
246.16074	1.3
252.17134	2.2
254.18671	2.7
266.18515	0.7
270.18091	27.0
282.18433	0.7
296.19815	0.8
298.21323	0.9
314.20709	7.0
322.17606	0.8
326.20569	0.7
327.24246	0.6
354.20331	3.4
371.22858	21.5
383.23111	0.8
415.25482	21.9
447.28207	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40561	1.2
56.05047	10.7
60.04538	1.6
60.05662	1.8
60.58961	1.2
67.05517	3.3
68.05053	1.4
69.07130	1.2
70.06622	2.4
70.69500	1.4
71.05004	5.9
72.04527	6.8
74.06091	5.9
76.05138	16.6
79.05501	2.4
81.07080	3.2
83.08636	1.4
84.04537	1.2
84.08167	1.4
86.09715	2.8
91.05499	2.7
93.07047	2.6
95.08633	7.7
96.05593	10.3
97.05930	1.4
99.05607	1.7
102.05525	4.9
109.10174	8.5
110.07186	5.3
111.08051	1.7
112.05104	2.0
114.06699	2.2
118.05034	8.8
119.08599	7.6
120.06568	2.8
121.97985	1.4
123.08059	1.9
128.07143	3.2
128.08220	7.5
133.10123	5.2
135.07617	1.9
137.09604	13.3
143.96391	1.5
146.08180	1.9
147.11746	1.8
160.07204	8.2
169.12268	1.6
171.11697	1.5
177.09903	7.6
186.15063	1.7
196.13332	3.3
201.14932	2.3
215.11401	1.9
246.60522	1.4
252.68234	1.5
256.13583	1.5
277.44638	1.5
298.21136	2.4
314.20767	6.1
328.22238	1.9
346.23413	7.0
397.20593	1.5
415.25696	5.7
424.35553	1.8
429.27161	9.6
447.28598	100.0
466.54172	1.7
470.78391	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	448.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.4
57.03424	0.4
57.07069	2.3
61.01629	0.5
61.02910	1.9
69.03421	3.1
70.21310	0.4
73.01128	2.9
75.02711	1.0
81.03426	1.0
82.44422	0.5
85.02902	12.1
87.04472	0.6
92.20943	0.7
97.02890	3.5
109.02821	0.7
110.06032	1.0
119.08586	2.0
120.01104	0.7
123.04422	9.6
124.05196	1.2
127.03922	2.5
135.08028	3.2
139.02150	1.0
141.00053	7.2
145.04977	0.8
146.07285	2.2
155.01572	0.7
163.07524	10.4
164.08301	3.7
167.01604	0.6
169.06804	8.9
174.11539	0.5
177.05457	0.7
179.05231	5.7
180.85648	0.5
197.06306	100.0
213.02071	4.7
230.04831	1.9
251.16727	0.5
260.51767	0.5
269.08408	14.5
276.74677	0.5
286.11044	56.4
328.11948	0.7
412.14102	0.7
430.15338	2.7
448.17371	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	448.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74538	0.6
60.05659	0.9
61.05706	0.6
65.55022	0.6
83.89284	0.6
86.09695	2.9
111.05579	3.2
120.04471	1.4
132.04462	6.6
134.06010	4.4
151.06160	0.9
168.08778	3.0
202.09807	3.6
216.11351	3.8
230.09213	6.5
231.22066	0.7
232.10812	0.8
233.14027	0.7
242.09319	2.5
251.60765	0.7
257.10336	0.8
259.11899	100.0
277.12970	1.3
284.11429	9.3
301.13956	4.8
302.12466	43.5
319.15009	0.9
339.71860	0.6
362.17795	1.0
406.17200	15.5
431.17334	0.8
448.19394	88.6
467.47345	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	448.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05652	0.4
62.89941	0.3
103.66098	0.4
111.05524	3.0
120.04477	3.7
126.06590	0.8
132.04445	6.2
134.05989	3.9
151.06148	0.7
168.08810	2.6
174.69330	0.4
202.09703	4.0
216.11272	3.9
230.09200	6.6
232.10736	0.7
242.09201	0.8
257.10388	0.7
259.11884	100.0
269.01938	0.6
277.13037	2.3
284.11432	11.4
301.13953	4.5
302.12466	37.8
319.15082	2.0
362.18164	2.3
406.17172	16.9
448.19373	82.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74538	0.6
60.05659	0.9
61.05706	0.6
65.55022	0.6
83.89284	0.6
86.09695	2.9
111.05579	3.2
120.04471	1.4
132.04462	6.6
134.06010	4.4
151.06160	0.9
168.08778	3.0
202.09807	3.6
216.11351	3.8
230.09213	6.5
231.22066	0.7
232.10812	0.8
233.14027	0.7
242.09319	2.5
251.60765	0.7
257.10336	0.8
259.11899	100.0
277.12970	1.3
284.11429	9.3
301.13956	4.8
302.12466	43.5
319.15009	0.9
339.71860	0.6
362.17795	1.0
406.17200	15.5
431.17334	0.8
448.19394	88.6
467.47345	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	448.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05664	0.7
70.06581	0.6
73.51775	0.5
76.50047	0.5
77.89029	0.6
86.09707	1.2
107.04968	7.0
111.05568	2.5
118.10613	0.5
120.04473	1.2
126.06652	1.4
132.04434	8.3
134.06024	3.1
137.06084	0.7
139.50610	0.6
142.39447	0.6
142.96799	0.6
145.06470	0.9
151.06143	0.7
165.93695	0.6
167.29114	0.6
168.08817	1.3
175.07487	1.4
202.09761	3.8
216.11345	3.2
230.09276	7.0
235.43132	0.6
237.09171	0.6
257.10324	0.8
259.11877	100.0
269.11719	3.2
277.12903	2.2
284.11411	10.3
301.14087	3.5
302.12463	39.9
362.17984	1.1
406.17230	15.9
448.19382	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	448.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
64.35483	0.5
69.03408	0.7
70.61949	0.4
79.85609	0.4
83.98888	0.4
85.02873	2.3
97.02853	0.5
107.04959	29.9
115.05430	0.7
121.06476	2.2
123.04421	5.3
143.04938	8.8
145.06473	4.4
156.94975	0.5
161.05943	9.0
178.08621	8.4
237.09085	0.8
243.07869	0.6
255.10146	25.1
257.11710	0.5
286.14365	100.0
406.48227	0.6
448.19644	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	448.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	0.4
55.01877	2.7
57.03447	7.1
60.41022	0.4
61.02932	5.8
65.03967	0.7
69.03434	14.0
70.06596	0.6
71.01354	0.9
71.05013	0.6
73.02920	34.7
81.03423	2.6
84.08120	0.5
85.02908	44.3
87.04462	2.3
91.03944	2.4
91.05482	100.0
93.07000	0.4
97.02895	27.8
99.04455	2.2
99.09299	0.4
103.03960	2.1
105.03384	0.5
105.07016	0.8
109.02875	5.1
110.06047	8.1
110.08088	0.4
115.03931	15.4
117.06982	0.5
119.08577	57.9
121.06474	0.4
121.10100	0.7
123.04431	1.9
127.03915	16.5
127.04889	0.7
129.06958	0.5
131.08591	3.1
133.04962	15.1
133.10068	0.6
141.00075	0.7
143.08571	2.0
145.02948	1.7
145.04955	19.5
145.06505	1.6
145.10100	0.7
150.07654	1.0
157.10095	0.7
159.08069	1.7
163.06035	10.6
163.07469	1.9
165.09061	0.5
169.06816	0.9
171.08020	0.5
177.05443	6.9
179.05215	0.8
181.04904	0.5
183.10120	0.8
185.09685	0.9
190.70515	0.4
193.04935	0.5
197.06322	14.5
197.09619	0.7
203.10709	0.6
205.08730	0.5
217.07114	1.0
223.06082	2.2
233.11859	1.8
241.06963	4.1
245.11703	0.5
254.93840	0.5
259.08078	11.8
263.12863	3.0
269.08380	3.3
277.09219	2.6
281.13919	0.7
286.10986	8.9
295.10226	20.6
316.17456	0.5
337.12653	1.0
412.64694	0.5
448.16147	2.7
448.21436	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	448.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96135	0.7
69.03445	1.3
69.07067	4.2
71.04993	1.0
74.11103	0.8
79.05491	1.7
81.03449	1.1
81.07083	3.4
83.04993	1.8
85.02888	3.6
85.06579	1.0
91.05456	1.5
93.07031	5.0
95.04964	1.8
95.08601	2.0
97.02890	1.2
97.06541	8.1
99.04448	3.9
99.55050	1.2
105.07053	9.8
107.04945	6.2
107.08589	6.6
109.06511	3.5
109.10146	1.7
117.07012	1.0
119.04973	1.2
119.08598	1.7
121.06495	12.2
121.10142	1.9
121.69664	0.9
125.06029	8.6
127.03896	1.3
129.15927	0.9
131.08600	1.2
133.06497	1.7
133.10156	0.9
135.08061	1.8
135.11705	4.3
139.07555	4.5
143.07034	4.9
145.10127	29.2
147.11674	5.3
151.07556	2.0
159.08063	1.2
159.11731	8.2
163.11172	100.0
169.10034	1.9
171.11700	0.9
173.09613	21.3
181.12253	3.5
187.11148	12.4
189.12752	1.8
191.10721	11.0
197.09512	1.2
205.12236	7.5
215.10716	8.8
233.11722	42.6
235.52400	1.0
248.91963	1.0
251.12775	22.4
269.13843	22.1
336.12250	5.2
413.17972	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	448.269
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80994	0.4
56.47512	0.4
57.22765	0.5
58.06384	0.5
58.06613	7.1
62.65893	0.5
69.71928	0.5
71.55900	0.5
72.08151	9.5
84.34799	0.5
88.07633	2.5
90.09190	18.4
102.09178	1.0
107.04926	2.3
135.08054	43.9
138.55885	0.6
139.11465	0.6
173.09599	3.6
173.92079	0.5
191.10631	2.7
198.12828	0.5
209.11732	12.9
264.64236	0.6
264.69122	0.5
285.73022	0.5
371.15839	0.5
371.92621	0.5
388.55756	0.5
448.26929	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.269
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80994	0.4
56.47512	0.4
57.22765	0.5
58.06384	0.5
58.06613	7.1
62.65893	0.5
69.71928	0.5
71.55900	0.5
72.08151	9.5
84.34799	0.5
88.07633	2.5
90.09190	18.4
102.09178	1.0
107.04926	2.3
135.08054	43.9
138.55885	0.6
139.11465	0.6
173.09599	3.6
173.92079	0.5
191.10631	2.7
198.12828	0.5
209.11732	12.9
264.64236	0.6
264.69122	0.5
285.73022	0.5
371.15839	0.5
371.92621	0.5
388.55756	0.5
448.26929	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.3
57.03457	0.4
58.06381	0.3
59.96392	0.3
60.26855	0.3
61.02934	0.6
65.38898	0.4
69.03432	2.9
71.04922	0.3
81.03405	1.6
81.82669	0.3
85.02908	8.9
89.18610	0.3
97.02889	2.8
103.78667	0.4
105.69606	0.3
109.02896	0.7
127.03889	0.7
145.04974	1.7
155.98935	0.4
192.97963	0.4
231.61729	0.3
287.05499	100.0
299.13983	0.4
312.13361	0.4
449.10428	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	449.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93393	0.3
55.01882	0.4
57.03444	0.6
58.98222	0.3
61.02920	1.6
69.03418	1.9
70.77224	0.4
71.04998	0.5
81.03422	4.0
82.53428	0.4
85.02910	9.4
97.02879	3.7
99.04442	2.6
99.17025	0.5
109.02197	0.4
109.02873	3.3
120.08080	0.5
123.79317	0.5
127.03902	4.4
143.07199	0.4
145.04994	0.9
145.48457	0.4
153.01891	0.5
193.01448	0.5
287.05490	100.0
417.10532	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	449.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	0.2
55.01858	0.3
55.08493	0.1
57.03439	0.5
61.02940	1.1
65.11948	0.1
69.03435	2.1
71.04984	0.1
73.02914	0.5
78.73158	0.1
81.03432	1.2
83.01353	0.2
85.02906	7.7
87.04470	0.5
91.03930	0.5
97.02890	2.9
99.04427	0.3
109.02863	1.0
119.08583	0.6
120.08914	0.2
121.02851	0.3
127.03909	1.4
145.04926	1.3
145.38673	0.1
153.01833	0.6
165.01830	0.5
174.96664	0.2
183.02856	0.2
191.16151	0.1
218.81841	0.1
241.04834	0.1
258.05133	0.2
287.05478	100.0
298.91837	0.1
306.47412	0.2
343.43256	0.1
449.10422	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	449.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.2
61.02917	1.1
69.03432	2.2
71.04993	0.3
72.08143	0.3
73.02898	0.4
81.03419	0.9
85.02430	0.4
85.02907	7.7
91.04004	0.3
97.02882	2.9
98.62686	0.2
99.04484	0.3
109.02881	1.3
121.02810	0.4
123.61996	0.2
127.03913	1.9
145.04965	1.4
261.79083	0.2
275.43439	0.2
286.07993	0.5
287.05484	100.0
299.05664	0.3
329.06415	0.3
446.39294	0.2
449.20456	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	449.224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53502	1.3
53.60009	1.4
56.05036	13.4
57.03448	1.8
58.04106	1.7
60.05651	1.9
70.06593	15.6
72.04515	30.8
72.08163	4.1
74.02463	2.3
74.06087	9.8
76.05133	100.0
81.03439	2.0
81.07050	3.5
82.63192	1.5
84.04503	2.8
84.08147	7.3
86.09717	16.1
91.05492	3.2
93.07024	2.7
96.05607	1.7
102.05556	8.6
104.05312	2.3
107.08603	3.4
109.10158	8.3
110.07203	3.4
112.98508	1.7
114.06661	2.2
115.12751	1.9
116.07065	2.2
116.08199	7.0
118.05023	56.3
120.06580	10.3
120.08121	3.6
124.11266	2.2
127.11707	1.8
129.10242	2.9
131.09259	2.9
133.10132	15.0
135.07625	2.7
136.07591	3.3
143.11769	2.0
151.11137	5.9
159.08804	7.2
160.07172	70.4
170.11664	1.8
177.09828	92.1
232.16806	2.2
287.05353	2.4
323.60165	1.8
431.25137	2.6
449.21564	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	449.2659
Annotation	16alpha,17alpha-Dihydroxyprogesterone acetophenide
Peak:m/z	Relative Intensity
55.05503	7.2
57.03442	26.6
57.07081	32.2
61.74602	1.2
67.05512	13.5
69.04121	1.3
69.07078	11.8
71.08334	1.7
71.08637	25.1
79.05474	2.1
80.84190	1.7
81.07053	20.9
83.08624	10.7
83.09058	1.3
85.10173	9.8
93.07063	2.8
95.08612	23.4
97.10175	8.1
98.98460	49.2
104.81411	1.4
109.10177	11.2
113.00009	12.7
117.44804	1.5
122.66717	1.6
136.99991	65.7
155.01033	59.8
169.02583	8.2
193.02562	3.2
211.03633	7.0
234.83627	1.8
313.27322	14.8
337.27286	24.0
449.26602	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2662
Annotation	16alpha,17alpha-Dihydroxyprogesterone acetophenide
Peak:m/z	Relative Intensity
55.05511	6.8
57.03435	7.1
57.07092	1.5
60.51711	1.2
61.66798	0.9
67.05515	25.6
69.07076	12.1
71.04990	1.2
79.05498	6.5
81.07063	29.5
83.08624	7.1
85.82088	1.0
91.05481	4.7
93.07063	10.5
95.08614	27.1
97.10159	6.0
105.07050	4.5
107.08589	8.0
109.10159	15.1
113.00015	96.5
119.08580	5.4
120.71595	1.1
121.10146	2.6
123.11708	4.6
133.10126	5.0
135.11662	2.6
137.13318	1.2
140.22655	1.3
145.10110	1.6
147.11702	1.5
149.13242	2.1
154.12297	10.7
161.13268	1.9
168.23212	1.1
169.02606	100.0
171.14932	2.0
175.14766	1.2
180.63361	1.3
187.03679	7.0
245.22639	6.3
263.23669	11.2
337.27374	39.5
361.94656	1.2
431.25406	7.2
449.37292	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	449.2661
Annotation	16alpha,17alpha-Dihydroxyprogesterone acetophenide
Peak:m/z	Relative Intensity
52.43340	0.9
55.05509	10.6
57.03440	8.9
57.07079	4.6
62.94318	1.4
67.05178	2.0
67.05509	31.5
69.07069	19.1
70.93511	1.2
71.08605	1.0
79.05490	10.2
81.07063	34.5
83.08605	9.9
91.05473	6.2
93.07061	10.1
94.16241	1.1
95.08606	34.8
95.41225	1.1
97.06536	1.9
97.10172	5.6
105.07056	8.0
107.08591	9.0
109.10152	16.3
109.53948	1.2
113.00014	100.0
119.08570	7.2
119.62540	1.4
121.10136	7.9
123.11742	2.2
131.08611	4.4
133.10132	6.1
135.11713	5.9
137.00000	1.7
145.10097	4.6
147.11609	3.9
149.13252	2.1
153.12703	1.6
154.12224	9.7
161.13254	2.5
169.02600	96.3
171.14909	2.5
175.14848	1.4
187.03642	6.9
189.23781	1.2
245.22639	5.3
263.23654	13.7
337.27362	60.2
341.36514	1.3
397.31155	2.8
414.33749	2.6
431.25504	6.8
432.34988	1.4
449.26959	1.7
449.37341	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	449.2661
Annotation	16alpha,17alpha-Dihydroxyprogesterone acetophenide
Peak:m/z	Relative Intensity
55.05516	7.8
57.03445	25.3
57.07087	24.5
59.83166	1.5
67.05510	21.3
69.07089	15.7
69.07384	1.7
71.08640	19.1
76.28529	1.5
79.05497	2.9
80.66299	1.8
81.07059	34.6
83.08615	11.3
84.60201	1.6
85.10172	13.2
93.07049	3.6
95.08596	23.9
97.10168	7.9
98.17740	1.7
98.98471	48.7
105.07025	3.1
107.08585	4.0
109.10159	17.6
113.00021	27.1
121.10175	3.1
123.11657	2.1
133.10187	2.4
135.11713	3.2
137.00002	57.1
137.09714	1.9
147.08167	1.9
154.12260	26.8
155.01042	53.6
156.15033	2.0
169.02606	17.0
171.14934	10.7
193.02664	1.9
195.76900	1.8
211.03552	6.8
313.27411	19.8
326.92056	2.0
337.27353	41.7
432.34756	3.8
449.26642	100.0
449.37100	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	449.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56833	0.5
54.91888	0.5
56.69103	0.4
80.09875	0.5
84.08147	32.5
86.09712	23.1
87.69070	0.5
88.76023	0.5
89.88515	0.5
93.07064	0.8
101.10774	2.5
103.05463	1.0
116.55390	0.6
120.08105	100.0
122.66874	0.5
128.09821	1.1
128.10715	15.6
129.09276	1.0
129.10242	28.4
130.08643	31.1
133.37744	0.5
147.11288	28.1
156.10214	1.1
163.11328	0.7
164.13075	0.6
193.21269	0.6
259.14191	0.6
276.17276	0.8
277.04453	0.5
287.05585	3.5
294.18100	5.2
354.31128	0.7
389.12360	0.6
396.61237	0.6
433.84589	0.6
449.27582	87.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46288	0.9
55.05508	1.2
57.07066	1.0
67.05506	2.5
69.07058	5.0
78.25133	1.1
79.05508	1.8
79.93188	1.1
81.07057	10.9
83.08630	1.1
85.02927	1.4
86.09710	7.3
91.05508	1.7
93.07069	10.3
95.08614	21.2
105.07054	8.2
107.08595	13.7
109.10161	24.4
111.08088	2.2
117.07027	1.5
119.08582	16.3
119.97235	1.1
120.08099	4.7
121.10149	10.0
123.11713	2.6
129.07024	1.4
131.08582	7.5
133.10123	14.7
135.11710	7.1
143.08589	5.3
145.10141	17.3
147.11673	10.1
149.13266	2.2
155.08527	2.7
157.10103	12.8
159.11707	19.1
161.09613	1.5
161.13258	8.2
163.11148	2.6
163.14850	2.5
169.10179	7.8
171.11697	12.8
173.09694	2.5
173.13243	12.6
174.10188	1.2
175.11102	1.6
175.14795	2.7
177.12827	1.7
181.10139	1.3
183.11676	10.3
185.09622	2.1
185.13290	8.0
187.11275	2.1
187.14799	8.5
189.16397	1.7
195.11795	4.7
197.13239	9.1
199.11208	6.3
199.14795	11.2
201.12825	4.7
201.16368	8.2
203.14345	1.7
203.18011	1.7
205.12271	2.6
209.13345	2.9
211.14911	2.6
213.16447	5.6
217.15961	1.6
231.09970	1.4
233.15234	1.2
235.15051	1.4
237.16440	1.3
243.13828	1.7
245.11810	1.6
245.15341	2.6
251.18001	1.6
267.21140	1.4
287.05521	2.5
351.10681	6.2
385.28589	1.4
391.26404	1.9
398.26401	1.4
403.30038	7.2
422.21460	1.3
431.29648	10.7
449.14307	2.8
449.30542	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	449.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07063	3.5
72.08180	4.4
75.01115	3.3
81.07070	9.9
84.08130	4.6
86.09708	18.1
88.48050	4.6
89.83278	4.3
93.07031	6.1
95.08610	21.2
102.05537	5.3
107.08581	7.7
109.06531	4.7
109.10149	38.9
119.08562	18.4
120.08112	36.2
121.10146	9.7
128.10757	3.8
129.10201	4.5
130.08731	3.8
133.10109	4.8
135.11658	8.4
137.06000	5.2
145.10132	6.9
147.11621	5.6
157.10132	19.6
159.11691	9.1
163.14740	6.2
171.11728	6.4
173.13284	6.3
177.16335	5.3
182.46138	5.1
183.11595	4.8
185.09705	4.7
185.13242	6.9
187.14720	5.1
195.11589	4.5
199.14815	15.2
201.16391	8.3
213.16377	5.9
217.38660	4.6
287.05432	32.3
431.29428	8.6
449.30798	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	449.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.5
62.63675	1.9
67.05509	8.8
69.07074	5.6
69.35531	2.0
70.35625	1.8
78.09963	2.1
79.05499	3.7
81.07059	19.8
86.09712	33.5
93.07037	5.6
95.08602	17.5
99.08062	3.2
105.07055	5.7
107.08598	14.3
109.06544	2.8
109.10162	31.8
119.08543	15.8
120.08070	3.4
121.06498	2.4
121.10128	11.9
123.08108	2.8
123.11717	3.3
131.08560	3.6
133.10110	13.0
135.11690	7.8
136.07558	12.1
137.05977	5.1
143.08519	4.8
143.11720	2.8
145.10158	19.1
147.11705	4.7
155.08548	4.2
157.10115	12.5
159.11717	12.1
161.13222	5.5
169.10095	9.1
171.11656	12.3
173.13263	4.9
175.14720	3.5
183.11685	11.9
187.14799	4.3
195.11694	2.8
197.13052	2.9
199.11244	4.4
201.12709	3.1
203.14299	3.8
223.14906	2.8
239.18010	3.0
245.15480	2.7
281.19345	2.9
287.05432	14.4
328.19241	2.7
403.22116	3.9
403.29987	5.6
419.29611	4.8
431.23792	2.3
431.29166	17.0
442.45596	2.9
449.30530	100.0
456.12134	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	449.305
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80080	0.7
55.05517	3.3
57.29331	0.7
67.05505	8.8
69.03417	1.0
69.07072	16.9
69.94608	0.7
72.06265	0.8
75.18453	0.8
79.05481	4.9
79.29388	0.8
79.67961	0.7
81.07053	9.7
83.04976	1.5
83.08627	1.8
91.05497	3.7
93.07040	6.0
95.08627	7.7
97.06538	1.1
103.09763	0.8
105.07043	5.3
107.08609	12.7
109.06530	4.6
109.10164	26.4
111.08071	1.9
113.05922	0.8
119.08578	7.6
121.06519	3.7
121.10131	5.9
123.08067	3.8
131.08583	4.0
133.10146	7.2
135.08060	19.3
135.11691	1.5
137.09615	12.8
143.08580	3.6
145.10173	9.7
147.08075	1.9
147.11696	3.5
149.05977	13.2
149.09639	10.9
154.12311	6.5
157.10139	5.4
159.08061	3.9
159.11674	7.8
161.09601	8.2
161.13220	1.7
163.07594	1.1
163.11258	3.0
165.09122	1.3
165.12714	1.3
169.10083	2.0
170.10907	1.1
171.11681	4.6
171.14984	1.8
173.09633	4.7
173.13309	3.9
175.07631	1.3
175.11206	5.7
175.14825	1.0
177.12804	1.1
183.11671	3.3
185.09700	1.3
185.13286	10.4
187.11169	6.4
187.14877	1.1
189.12720	3.6
195.11646	1.2
197.09735	1.0
197.13315	3.3
199.11234	3.5
199.14810	1.7
201.12785	9.1
203.14285	8.5
209.13258	1.3
211.11272	1.2
211.14825	3.3
213.12781	1.6
215.14337	1.8
221.13272	1.7
223.14804	0.9
225.12868	3.4
227.14319	4.3
229.15919	4.2
231.13898	1.9
235.14722	1.3
239.14284	3.8
241.15858	3.4
243.17381	1.0
245.15251	1.5
251.14365	1.1
253.15701	1.3
255.17412	1.0
261.16739	1.0
281.18890	1.1
283.16986	0.8
321.22186	1.5
325.21243	0.9
349.21692	5.1
361.20944	1.0
363.23126	5.0
367.22824	5.9
381.24203	4.0
389.28314	1.1
393.24240	1.9
431.29361	17.2
449.30469	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	449.305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69648	0.7
51.41445	0.8
53.73734	0.8
55.05499	0.9
59.04997	0.9
62.58413	0.8
67.05514	7.6
69.03377	1.4
69.07069	15.6
73.28967	0.8
74.44081	0.9
78.81726	0.8
79.05486	2.1
81.07063	11.5
83.04955	1.2
83.08627	1.4
91.05469	1.4
93.07046	7.6
95.04951	1.1
95.08611	8.5
95.29901	0.9
105.07031	5.1
107.08588	8.5
109.06529	3.9
109.10159	25.1
111.08078	2.0
119.08568	9.0
121.06460	1.8
121.10123	8.5
123.08080	4.6
131.08563	4.9
133.10133	5.9
135.08054	21.0
135.11725	1.8
137.09625	9.6
143.08566	1.8
145.10103	7.3
147.08092	2.2
147.11684	4.0
149.06004	10.1
149.09612	7.6
151.11136	1.0
154.12274	1.7
157.10123	5.5
159.08052	1.6
159.11664	6.6
161.09589	9.4
161.13245	1.7
163.07564	1.3
163.11235	1.4
169.10066	2.0
171.11711	4.2
171.14890	1.2
173.09631	5.4
173.13264	4.3
175.07495	1.2
175.11197	6.2
175.14865	1.7
183.11687	4.9
185.09615	2.1
185.13255	6.3
187.11186	6.2
189.12823	1.9
191.14340	1.1
197.09758	1.2
197.13191	1.8
199.11058	3.9
199.14781	1.5
201.12755	6.3
203.14360	5.4
209.13222	1.4
211.11087	1.7
211.14801	1.3
213.12776	3.8
221.13327	1.4
223.14949	2.1
224.69370	1.1
225.12614	2.0
227.14326	6.9
229.15906	2.0
231.13675	3.4
237.16489	1.2
239.14384	2.0
241.15855	1.4
245.15265	1.2
247.14906	1.2
253.15921	1.1
267.17410	1.1
279.17252	1.3
281.18768	1.0
293.18924	1.7
321.22025	1.5
333.22198	1.2
349.21603	6.8
363.23242	3.8
367.22571	5.9
375.23083	2.1
381.24139	3.8
393.24350	3.7
431.29443	21.5
449.30453	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33590	1.4
55.05512	2.8
55.94155	1.2
57.07070	1.6
59.50996	1.4
62.84654	1.3
66.50150	1.4
67.05518	11.1
69.07073	11.8
69.21027	1.4
72.60783	1.4
77.41685	1.5
79.05505	2.8
81.07081	12.7
83.04971	1.5
83.08653	1.8
87.82467	1.4
89.05581	1.6
91.05458	2.8
92.21564	4.5
93.07040	10.1
95.08610	12.2
96.50137	1.4
105.07034	8.6
107.08597	15.9
109.06571	2.1
109.10165	26.4
111.08083	2.3
119.08577	16.7
121.06507	2.4
121.10133	10.2
123.08061	3.5
123.11715	2.5
131.08549	2.9
133.10167	10.5
135.08067	16.7
135.11691	3.9
137.09586	12.7
143.08617	3.3
145.10117	13.1
147.07965	1.7
147.11693	9.8
149.09624	3.6
157.10060	12.0
159.08179	2.2
159.11720	8.0
161.09642	12.1
161.13223	3.6
163.11131	2.6
169.10089	6.8
171.11691	8.6
173.09550	5.8
173.13213	6.0
175.11159	3.0
175.14830	9.1
181.10080	1.8
183.11731	7.7
185.13213	3.5
187.11223	8.5
195.11652	3.5
197.13251	2.8
199.11252	2.1
199.14902	2.6
201.12825	3.3
201.16286	2.0
207.11684	1.7
209.13306	3.0
211.11282	1.9
211.14807	3.2
213.12720	1.7
223.14796	2.9
225.12848	2.2
229.15944	2.3
233.13345	2.0
237.12579	1.6
239.17946	2.0
251.18117	1.6
255.13591	1.7
255.17336	1.9
277.16034	1.9
279.17606	2.9
287.05460	11.4
293.19037	2.5
297.18369	2.3
297.79510	2.1
305.19153	1.9
319.20541	7.5
343.08792	1.6
345.22125	3.1
389.28650	1.9
393.24234	2.0
413.28308	2.4
419.29535	2.2
431.29541	21.7
449.30505	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	449.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	2.7
67.05512	20.9
67.29603	1.8
69.07070	33.1
77.13132	1.8
79.05457	2.1
81.07063	15.7
83.04945	3.2
83.08624	2.6
87.15522	2.7
93.07043	9.3
95.08612	22.1
105.07035	8.7
107.08578	20.3
109.06521	10.5
109.10162	79.8
119.08554	10.9
121.04012	2.8
121.10130	9.2
123.08030	2.2
123.11700	3.4
131.08597	2.8
133.10109	4.2
135.08075	5.3
135.10390	2.3
135.11642	3.2
137.09628	3.6
143.08569	3.2
145.10117	9.6
147.11668	8.8
151.11205	2.7
154.12250	3.9
155.08566	3.2
157.10126	4.0
159.07973	2.1
159.11662	4.5
161.09557	2.6
165.12755	8.1
171.11630	8.8
171.15019	3.0
173.13278	4.2
183.11641	4.4
185.09604	2.4
185.13239	5.5
187.11151	4.5
189.12759	3.1
191.14343	2.7
195.11647	4.1
197.13348	3.7
199.11188	11.7
199.14760	2.6
213.12665	4.7
214.20474	2.4
217.01132	2.4
223.14690	2.8
225.12663	3.3
237.16238	2.9
239.17903	2.9
241.15805	10.6
243.17451	2.6
253.15781	2.4
255.17441	9.6
269.18970	2.3
271.17029	2.2
279.17465	2.6
283.16895	10.9
285.18710	4.5
297.18497	3.6
311.20126	2.9
325.18051	4.3
333.22198	2.6
335.20050	2.4
341.21106	2.7
347.20016	3.0
349.21655	4.1
363.23364	3.1
367.22510	4.0
375.23471	2.6
381.24234	9.3
391.26190	3.1
393.24197	5.2
431.29523	38.7
449.30502	100.0
449.37320	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	450.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40807	0.3
69.88609	0.4
70.06574	0.4
85.02863	0.8
92.21141	0.5
93.07008	0.9
107.08581	0.6
118.37550	0.4
147.11633	0.8
165.12740	2.1
167.10643	0.5
196.33490	0.5
253.14352	2.0
288.05750	1.1
290.08142	8.0
302.08170	2.2
304.06058	7.2
318.07617	8.3
319.08380	46.5
320.09198	0.8
334.10730	100.0
336.08615	0.7
336.12323	2.0
337.09290	0.5
352.11624	2.3
396.25278	0.5
450.15463	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	450.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01333	0.6
70.06596	0.8
72.08156	0.6
76.43772	0.5
78.61926	0.6
86.09705	1.2
89.26432	0.6
107.08596	0.7
109.54404	0.6
126.05526	0.6
161.97121	0.6
185.56007	0.6
290.08179	6.4
302.08173	0.7
304.05963	6.2
318.07642	10.6
319.08389	45.8
331.08530	1.1
334.10736	100.0
336.12411	0.8
352.12012	1.5
360.08624	11.6
450.15799	53.9
450.29730	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	450.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37644	0.3
60.83768	0.4
73.26649	0.3
74.04340	0.3
75.34739	0.3
76.19008	0.4
78.47382	0.3
78.75683	0.3
86.09690	0.7
102.13552	0.3
138.05556	0.4
290.08075	8.4
292.20370	0.4
302.08057	2.1
304.06036	8.7
318.07629	9.5
319.08423	47.5
320.09125	0.4
334.10751	100.0
336.08539	0.5
337.09424	1.3
342.26703	0.4
352.11728	3.3
374.45456	0.3
421.88586	0.4
450.15509	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	450.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05936	0.4
74.11412	0.3
76.05112	0.7
76.64606	0.4
77.13840	0.4
80.55972	0.4
81.07007	0.6
137.67305	0.5
177.09874	0.7
196.20711	0.5
276.06354	0.5
290.08060	7.9
292.09396	0.5
302.08081	1.9
304.06003	7.0
318.07608	8.9
319.08383	48.8
320.09256	2.3
321.09882	4.1
334.10721	100.0
336.08588	1.0
336.12253	10.5
337.09546	1.0
352.11722	4.3
450.15491	68.9
452.74692	0.5
456.28873	0.5
459.06445	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	450.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37644	0.3
60.83768	0.4
73.26649	0.3
74.04340	0.3
75.34739	0.3
76.19008	0.4
78.47382	0.3
78.75683	0.3
86.09690	0.7
102.13552	0.3
138.05556	0.4
290.08075	8.4
292.20370	0.4
302.08057	2.1
304.06036	8.7
318.07629	9.5
319.08423	47.5
320.09125	0.4
334.10751	100.0
336.08539	0.5
337.09424	1.3
342.26703	0.4
352.11728	3.3
374.45456	0.3
421.88586	0.4
450.15509	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	450.191
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49080	0.3
57.00194	0.4
57.03398	0.6
67.05453	2.4
69.03358	0.4
69.07039	0.6
75.90037	0.3
79.05453	0.7
81.07026	1.0
83.08562	0.7
92.02359	0.4
93.07008	0.7
97.06454	0.5
107.08542	0.7
109.06536	0.5
109.10139	1.0
110.07050	0.6
116.31105	0.4
119.08578	0.4
168.89661	0.4
173.11568	0.6
194.87311	0.4
203.70309	0.5
229.14307	1.8
232.43205	0.4
278.07727	0.5
278.21097	0.5
292.09680	8.1
304.09723	0.8
306.07568	3.0
320.09140	12.2
321.06049	0.9
321.09943	26.1
336.12286	100.0
343.65302	0.4
348.61322	0.4
350.35364	0.5
365.23782	0.8
375.23273	0.4
393.23993	0.8
450.19153	51.7
450.26114	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	450.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39195	0.2
58.70359	0.2
59.48504	0.2
61.30131	0.2
69.64745	0.2
75.81362	0.2
76.01575	0.3
78.27762	0.3
80.73476	0.3
81.07011	0.3
90.26297	0.2
91.55106	0.3
110.07155	0.4
133.66188	0.3
136.62134	0.3
277.07401	0.3
290.08047	0.4
292.09650	2.1
318.07526	0.3
320.09158	100.0
321.09872	0.4
336.12329	2.3
358.23837	0.3
418.16376	0.4
431.82300	0.3
432.17941	0.4
450.19101	41.0
450.29211	2.0
472.05539	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	450.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68987	0.9
57.54332	0.7
69.07090	0.9
83.67991	0.8
86.26384	0.8
103.27937	0.8
119.08504	0.8
121.92898	0.7
136.06172	0.8
145.40097	0.9
156.08969	0.8
162.27635	0.9
202.89954	0.8
221.74796	0.9
274.72928	0.9
292.09702	1.9
308.12720	8.7
320.09177	94.9
322.10703	6.9
336.12247	18.6
337.13080	27.8
352.15417	100.0
418.16293	1.1
450.19217	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	450.191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05888	0.2
53.51593	0.3
59.02916	0.3
60.57503	0.3
67.31026	0.3
70.98046	0.3
86.54867	0.3
99.85640	0.3
110.07130	0.3
113.22126	0.3
117.35461	0.3
171.41797	0.3
182.24098	0.3
232.27818	0.4
292.09644	3.5
309.32938	0.4
320.09177	100.0
334.00342	0.4
336.12085	0.5
418.16556	0.4
435.16855	0.4
450.19186	39.4
450.28302	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	450.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63542	0.6
53.89256	0.4
57.47138	0.5
58.97021	0.5
75.83029	0.6
107.82224	0.6
110.29710	0.5
138.41608	0.6
170.50084	0.6
220.34152	0.6
232.64381	0.6
287.18558	0.6
292.09534	10.1
304.09763	2.4
306.07574	2.9
320.06070	0.8
320.09161	55.3
321.09940	31.4
336.12271	100.0
351.74103	0.7
358.24460	0.9
434.11401	0.7
450.19098	71.7
450.28992	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	450.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30578	0.7
58.25644	0.7
60.22857	0.7
61.02921	0.8
62.08154	0.7
67.05499	1.3
69.03436	0.9
69.07053	0.8
70.86787	0.7
71.04971	0.6
72.17073	0.8
79.05534	1.0
81.07062	5.3
82.51385	0.8
83.08642	0.9
85.02908	5.4
87.68929	0.9
91.05459	1.3
91.40974	0.8
91.80025	0.8
93.07051	5.0
95.08617	1.9
96.55034	0.9
97.02841	1.3
97.06505	3.5
99.04436	1.5
105.01871	1.2
105.07037	10.3
107.08606	10.4
109.06504	3.3
109.10149	4.2
110.02938	0.7
113.06005	0.8
119.07751	0.8
119.08556	6.0
120.08074	0.8
121.10140	8.9
123.08077	4.1
123.11703	17.3
127.03888	1.2
127.07561	1.8
133.10222	1.1
135.08052	1.6
137.09662	1.6
137.13226	1.0
139.07549	0.8
143.18597	1.0
145.10110	1.6
147.11693	65.7
149.09666	1.0
149.13261	5.4
161.13309	1.1
163.14822	1.7
165.12740	100.0
167.10597	1.3
171.11708	1.1
173.13263	1.0
175.11197	3.9
183.13828	11.0
189.12762	4.1
191.14363	1.4
193.12231	13.4
207.13794	5.4
209.15446	5.7
211.13063	1.0
217.12250	3.3
229.14325	20.0
235.13312	7.7
253.14326	85.5
271.15378	6.7
334.10748	1.9
450.11295	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	450.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	6.2
56.05041	1.0
59.92872	0.5
62.06101	0.6
67.08566	0.5
69.83704	0.6
70.06583	3.2
72.08160	100.0
84.04555	0.9
84.08150	2.8
85.02919	0.6
86.09708	6.2
87.05593	0.6
98.09674	0.8
101.07145	4.7
115.05054	3.2
115.08719	0.7
120.08106	18.7
125.42126	0.6
125.90479	0.6
129.06598	32.6
129.10242	44.6
133.10213	0.6
141.06596	14.8
155.11687	0.7
157.09680	1.3
158.09195	1.3
166.08597	9.2
169.06012	1.5
177.10226	0.7
183.11334	1.0
186.07135	1.3
186.08743	29.5
186.12347	7.9
196.10809	3.1
201.03268	2.3
214.11784	1.3
225.64168	0.6
231.11072	0.7
240.13373	1.4
245.18672	0.6
249.28532	0.6
257.16074	33.6
265.15366	3.6
285.15570	40.8
287.05475	17.4
288.05838	46.7
322.17578	1.0
404.22815	1.1
432.22330	2.2
444.35852	0.7
450.10138	5.4
450.15369	0.7
450.23422	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	450.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15529	1.2
57.04404	1.3
66.84754	1.4
67.05513	2.4
69.07047	3.0
81.07054	2.8
85.02909	7.2
85.06544	3.2
93.07038	9.5
95.04971	45.2
95.08602	7.3
99.08096	34.0
107.08594	9.2
109.06532	2.1
109.10184	11.7
109.10824	2.0
109.63428	1.6
111.54156	1.8
119.08582	9.3
120.08064	2.2
121.10110	2.7
123.11729	2.4
129.33815	2.2
133.10115	17.0
135.11716	29.9
137.09631	27.0
144.43706	1.8
149.13289	2.1
153.12743	7.7
155.10704	20.0
169.57092	1.8
175.14804	17.4
176.06361	1.5
193.15886	58.9
211.16922	100.0
253.17957	6.8
271.19058	4.1
290.94003	2.2
322.10657	3.9
336.12216	2.6
381.97269	2.0
450.15598	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	450.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95036	1.7
55.05520	15.0
57.03442	4.6
61.98694	1.5
66.10271	1.8
67.05508	12.0
69.95564	1.7
75.36340	1.6
79.05480	8.3
79.62849	1.8
81.07065	7.4
83.08636	21.1
93.07048	7.5
97.10165	66.3
107.08608	22.6
109.74886	1.7
125.09628	100.0
128.31294	1.7
135.08057	8.7
143.10674	4.8
153.09114	9.6
153.84070	2.2
171.10141	12.6
189.11214	67.6
227.10545	3.2
227.12779	78.1
245.13834	95.5
251.19650	2.1
397.22122	13.7
415.23242	71.8
450.31915	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	451.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88708	0.6
67.05492	0.6
68.79564	0.6
69.03430	1.2
69.07067	1.0
70.06590	1.0
81.07072	1.1
85.02933	1.0
86.09714	1.7
95.08591	1.2
105.07075	1.6
107.08605	1.1
107.59042	0.7
109.02867	1.5
109.10193	1.0
112.54018	0.7
119.08582	0.9
120.08104	1.7
127.03968	1.4
129.10168	0.8
133.10117	0.8
137.05998	1.4
155.67242	0.6
181.05038	0.7
185.04240	4.1
289.10306	1.3
311.74280	0.7
335.11176	1.0
388.55975	0.9
389.15536	1.0
391.13437	1.1
451.15726	100.0
451.31894	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	451.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
68.60378	0.3
75.85342	0.4
83.55276	0.3
86.09706	18.7
88.03979	0.5
93.07053	0.5
103.05470	0.5
109.14379	0.3
116.08247	0.4
120.08099	100.0
122.06017	0.4
126.34969	0.4
134.04585	0.4
143.11794	18.5
171.11284	3.1
263.10239	0.6
273.16010	1.4
281.11298	21.8
318.18051	5.4
333.29044	0.4
353.12045	0.8
409.80112	0.3
413.49277	0.4
433.20511	0.9
451.22107	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	451.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77589	0.4
56.96575	4.0
57.07062	0.6
59.04923	0.5
63.34466	0.4
64.44150	0.5
67.05505	1.0
69.07083	0.5
71.08640	0.6
79.05468	0.7
81.07049	2.3
85.07637	0.5
95.08601	2.1
107.08550	0.6
109.10159	0.9
113.00034	0.8
128.08192	2.4
133.10117	0.9
139.07413	0.6
146.99680	0.6
149.01205	0.8
169.02695	0.7
177.49771	0.6
205.05664	0.5
245.10670	0.8
317.17865	100.0
333.17197	0.7
335.18918	45.2
353.19858	2.7
358.20471	3.7
391.21533	26.4
451.23557	8.3
451.29214	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	451.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43958	0.5
54.21825	0.5
56.30359	0.6
56.96561	3.3
57.15341	0.6
65.06722	0.6
67.05528	0.9
71.08639	0.8
92.46632	0.7
98.25540	0.7
98.97573	1.0
125.55726	0.7
128.08182	0.9
149.01080	0.7
183.77959	1.0
248.24059	0.7
255.51112	0.7
295.15128	1.3
297.13644	0.8
310.78915	0.8
316.48987	0.8
317.17871	100.0
319.19449	1.4
335.18921	45.6
353.20258	1.0
358.20554	4.8
391.21552	29.4
451.23535	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	451.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	1.0
56.96565	4.7
57.03879	0.8
58.04083	0.7
60.77428	0.7
67.05535	0.8
69.03413	0.8
69.04549	14.0
70.06593	2.0
71.04986	3.7
72.04517	1.3
72.08129	1.1
74.06082	2.0
81.03376	0.8
82.63403	0.8
84.08158	1.0
85.02907	1.2
86.03551	1.0
88.03996	1.0
88.07629	7.3
96.05614	13.0
97.02878	3.7
98.09698	1.6
102.05556	4.3
110.07204	0.9
113.09640	3.7
114.05540	5.6
114.09155	1.3
114.97048	1.2
116.08195	1.4
120.06577	1.0
127.03863	1.1
130.04994	2.0
132.98106	7.8
138.10260	11.6
140.11826	12.1
143.03853	1.6
150.99097	9.2
152.07013	1.6
156.06667	1.1
156.11314	100.0
161.04852	5.9
166.08542	1.1
169.00189	1.5
172.14491	1.8
174.07603	4.4
179.05914	1.9
180.06566	7.5
182.08104	0.9
184.09703	4.9
188.13939	36.0
196.14485	7.5
200.09212	1.9
202.10831	6.7
208.99707	3.5
212.13829	1.1
218.10168	2.0
219.05380	1.8
220.14018	0.9
228.08739	5.2
240.13438	3.7
244.16661	3.2
246.09752	7.4
257.16107	7.8
263.04443	3.9
281.05579	1.7
321.04846	1.9
328.92780	1.0
339.06143	1.2
339.20200	1.6
419.15759	1.8
419.21359	50.5
451.11484	2.7
451.23953	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	451.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05047	6.1
58.33607	2.4
60.05658	10.7
66.81613	2.1
69.04560	10.4
70.06242	3.7
70.06602	68.6
70.98980	2.2
71.04996	14.2
72.04513	5.3
72.08163	20.7
74.06098	5.1
76.05126	29.6
80.91467	2.5
84.04511	10.1
84.08147	19.4
86.06055	3.2
86.09712	23.0
88.03997	4.6
88.07635	5.1
96.05608	9.2
97.02894	4.5
102.05515	10.4
110.07179	11.4
112.08751	17.1
113.09661	4.3
118.05018	17.3
120.08102	20.6
125.07132	6.2
129.10233	16.9
130.04984	5.2
136.07555	4.5
138.10258	4.9
138.69385	2.5
140.08197	3.5
140.11847	10.4
141.10085	3.1
156.11331	91.8
160.07172	24.0
175.11967	4.7
177.09825	56.0
180.06496	4.6
184.09685	9.7
185.12798	3.2
188.13971	30.7
196.14465	72.0
200.41245	2.7
225.17122	13.5
228.08698	3.0
240.13438	17.0
248.70064	2.9
257.16101	9.5
271.17728	4.9
288.20300	3.9
339.20197	2.9
383.19223	5.1
401.20343	4.9
419.21362	39.9
433.22531	4.0
451.23398	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71928	0.7
59.07436	0.7
70.38990	0.9
72.04520	1.9
74.81487	0.7
80.05030	1.6
83.08630	0.9
92.21552	1.0
94.06555	1.7
95.08598	0.9
97.10155	1.1
118.04989	1.6
120.08131	1.0
132.08014	0.9
134.09679	1.3
162.12738	0.9
164.07048	1.3
164.14371	1.3
176.14381	1.8
178.08694	3.8
188.14265	1.1
196.09724	3.8
202.16040	1.5
220.13336	1.0
222.14877	5.2
230.15520	1.1
234.14836	1.6
236.16446	1.7
240.81036	0.9
248.16519	10.3
248.81996	0.8
260.16394	6.4
262.18063	1.8
264.15881	1.1
274.21664	4.0
278.17307	1.3
280.15479	1.4
291.22040	0.9
292.22729	7.8
306.16959	5.3
312.23230	1.4
313.37592	0.9
318.24081	3.3
324.17914	3.6
330.24292	24.6
334.20227	1.4
348.25165	1.4
358.23672	2.0
376.24875	9.3
391.25681	1.1
392.23938	1.3
394.25861	16.0
409.26953	4.9
451.27994	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	9.0
55.44162	1.1
56.70485	1.0
57.03437	6.2
57.07075	5.5
67.05521	10.3
69.07076	16.4
71.08622	2.3
74.39590	0.9
79.05476	2.4
81.07069	12.5
82.39366	1.0
83.08627	18.4
85.10184	1.3
91.07737	1.0
93.07040	6.1
95.08605	15.8
97.10146	10.6
103.52541	1.4
107.08596	4.7
108.25607	1.0
109.10170	8.5
111.08077	2.1
111.11728	2.7
113.00018	84.6
115.81996	1.0
118.47102	1.1
120.92636	1.1
121.10129	6.1
123.11666	2.2
135.11702	5.2
149.12108	1.2
149.13208	1.4
169.02600	100.0
187.03596	2.4
265.25381	2.2
268.29825	2.3
336.33795	1.3
339.28928	35.4
359.33292	1.4
430.49817	1.1
433.27051	19.7
451.26544	1.5
451.36707	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	451.2818
Annotation	Wilforol B
Peak:m/z	Relative Intensity
55.01358	0.7
55.05519	9.1
57.03437	5.6
57.07071	5.6
58.67648	1.0
64.45134	0.9
67.05519	6.7
69.07072	18.7
71.08633	4.1
78.42124	0.9
79.05490	4.7
81.07060	14.5
83.08627	15.8
84.31881	1.0
84.85612	1.0
85.16738	1.0
93.07047	5.8
95.08607	15.5
97.10177	9.6
104.37305	0.9
107.08604	4.9
109.10149	8.5
111.11691	2.2
113.00024	85.9
121.10142	6.3
123.11684	1.0
131.01007	1.1
134.71802	1.0
135.11685	4.2
149.13225	1.2
163.14780	1.2
169.02605	100.0
187.03668	1.2
265.25290	4.1
268.29999	1.5
336.33725	1.9
339.28970	37.7
368.28662	1.0
372.98157	1.0
433.27295	20.5
433.33234	1.5
451.36725	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	451.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52570	3.1
53.37010	2.5
69.07089	3.7
71.05015	8.5
72.08155	35.8
73.47575	3.0
74.07544	2.8
74.53275	2.9
79.05492	3.6
81.03431	7.2
81.07066	24.2
81.77879	3.3
83.07912	3.3
83.08625	4.2
93.07051	8.4
93.71699	3.6
95.04970	3.6
95.08611	17.3
102.05538	3.9
105.07015	6.5
107.08602	16.9
109.10178	17.6
119.08583	52.9
120.08110	100.0
120.08913	6.8
121.10126	19.9
123.11752	5.6
127.11185	8.7
133.10139	5.0
135.11670	6.6
137.05992	6.1
145.10078	5.3
147.11685	7.4
157.10127	8.5
159.11656	5.9
169.10146	8.9
171.11664	8.1
183.11743	7.0
185.09679	4.0
185.13286	5.5
188.07059	34.8
191.08151	45.7
199.14897	6.1
205.09750	22.1
209.13112	4.7
219.14862	8.6
223.14758	7.7
235.14810	5.8
237.16316	15.7
247.14502	28.6
257.15555	4.4
265.15955	6.5
269.15320	8.1
307.12820	21.6
352.16354	6.4
374.66257	4.4
405.31622	6.3
413.21509	3.7
415.18735	4.1
433.19482	16.5
433.31113	34.3
451.32217	82.0
471.50803	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	451.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	1.7
65.53967	1.0
67.05502	11.7
69.07073	8.6
70.81970	0.9
79.05492	4.6
81.06612	1.8
81.07058	26.7
82.63127	1.0
83.04981	7.5
83.08593	1.2
91.05472	2.5
92.21278	1.9
93.07043	6.6
95.04984	1.7
95.08593	11.7
97.06540	2.2
100.40939	1.1
105.07014	9.2
106.42671	1.2
107.08591	13.5
109.06525	6.1
109.10155	46.6
111.08021	1.3
119.08575	14.3
121.06508	1.4
121.10172	7.6
123.08071	5.2
131.08574	6.5
133.06512	6.8
133.10127	10.3
135.04411	6.3
135.08058	22.7
135.11650	1.9
137.09610	12.5
143.08556	5.9
145.10155	13.6
147.08014	2.5
147.11670	5.9
149.05992	9.3
149.09575	8.4
149.13303	2.3
151.07559	1.6
157.10130	11.0
159.08208	1.6
159.11719	8.8
161.09610	10.8
161.13274	5.8
170.10950	1.7
171.11687	5.9
173.09621	2.2
173.13266	5.6
175.11165	8.1
175.14816	5.3
183.11627	2.2
185.09679	1.9
185.13248	13.4
187.11252	4.3
187.14778	4.6
189.12756	2.6
189.16402	1.5
195.11797	1.5
197.13240	2.2
199.11177	1.7
199.14868	5.7
201.12811	9.6
203.14319	14.1
211.14801	2.0
215.14340	6.8
217.15891	1.5
227.14354	6.4
228.15311	1.3
229.15851	1.7
233.15424	7.1
237.12854	1.3
245.15408	2.8
283.16992	1.2
307.20621	1.5
335.23599	2.0
345.23502	1.5
351.23157	2.5
377.24649	1.6
393.27597	1.3
415.29837	2.1
433.31021	25.5
451.32062	100.0
461.86041	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	451.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75689	0.9
50.84765	0.9
51.82510	0.8
53.90306	0.9
55.05518	3.9
57.07075	1.0
59.10789	0.9
62.15951	0.9
63.76626	1.1
66.45831	1.0
67.05515	11.6
69.07078	14.0
72.64955	1.0
79.05503	4.4
81.07067	23.9
83.04986	5.5
83.08606	1.6
86.09731	1.3
91.05510	1.9
93.07037	8.1
95.08624	21.8
97.06521	2.4
97.10152	1.2
99.08106	5.7
105.07037	9.9
107.08604	13.3
109.06527	2.0
109.10159	44.2
111.11695	1.4
117.07052	2.3
119.08583	25.7
120.08075	1.7
121.06488	1.0
121.10126	13.6
123.08070	4.0
123.11738	4.1
128.06093	1.1
129.07042	1.5
131.08600	8.4
133.10126	15.0
135.08109	1.7
135.11720	9.3
137.06012	2.4
137.09584	1.9
141.41190	1.1
143.08554	5.8
145.10129	16.3
147.11665	10.9
149.13254	2.0
155.08623	1.8
157.10100	9.2
159.08139	2.0
159.11678	7.6
161.09659	1.7
161.13289	7.1
163.11182	2.0
169.10146	5.4
171.08090	1.6
171.11711	15.5
173.09753	1.4
173.13309	10.2
175.11206	2.5
175.14822	7.5
183.11725	6.7
185.09608	1.4
185.13213	9.9
187.11171	2.0
187.14835	11.2
189.16359	2.3
193.10194	1.3
195.11743	5.9
197.13316	5.4
198.66040	1.0
199.11255	1.9
199.14868	2.3
201.16397	4.5
207.11574	1.3
208.51506	1.1
209.13376	4.4
211.11235	1.3
211.14819	4.3
213.16437	2.4
221.13354	1.5
221.58289	1.3
223.14854	2.4
225.16342	1.2
227.14305	1.9
227.17963	1.5
231.13799	1.8
235.14851	2.1
237.16434	2.3
239.18048	4.5
241.16074	1.5
251.18025	2.1
255.17839	1.5
261.16431	2.1
293.18939	1.1
293.22437	1.3
295.20728	1.5
305.22632	1.3
307.24142	1.4
309.22195	1.6
347.23456	1.2
351.23242	5.3
369.24246	2.0
377.24582	2.1
387.30377	1.6
395.26013	1.5
403.29993	2.5
405.31705	4.3
415.29947	6.0
433.30981	25.4
450.56277	1.7
451.32138	100.0
454.27585	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	451.3207
Annotation	Dysolenticin B
Peak:m/z	Relative Intensity
55.05520	3.9
57.07093	2.2
59.81005	1.5
65.48434	1.4
65.85529	1.4
67.05511	9.9
67.10954	1.3
69.07063	11.1
71.69875	1.4
79.05491	3.8
81.07069	24.4
83.05019	5.8
83.08627	6.2
85.02917	9.6
91.05462	2.3
93.07051	9.2
95.08608	23.0
95.09544	1.6
97.06537	2.1
97.10178	2.6
99.04449	1.4
99.08106	2.5
105.07047	11.9
107.08602	17.1
109.10166	35.5
119.08587	21.7
119.49769	1.4
121.10119	13.0
123.11736	3.8
127.03944	7.9
128.71178	1.5
131.08601	7.5
132.30597	1.4
133.10143	12.1
135.11734	6.4
137.05977	1.8
143.08618	3.7
145.10098	14.0
147.11673	15.8
149.13286	3.6
157.10141	11.0
159.11728	13.3
161.09708	2.0
161.13289	8.5
163.11154	2.3
169.10158	3.7
171.11685	5.8
173.13284	8.1
175.14799	3.3
183.11732	7.2
185.13251	12.3
187.11331	1.8
187.14844	30.0
189.16415	7.2
195.11710	2.8
197.13345	3.8
199.14870	2.8
201.16399	7.6
203.18045	2.1
207.11662	2.0
211.14778	2.0
213.12741	1.6
213.16542	3.2
225.16527	2.6
227.17990	2.9
233.15474	2.1
235.14911	2.0
237.16495	2.5
239.18036	3.1
244.97227	1.8
282.76996	1.9
289.09329	2.6
320.08548	1.8
337.12701	2.5
351.23300	2.0
353.15948	12.0
405.31659	6.5
415.30099	3.4
433.31027	20.1
451.32126	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	451.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.9
57.50060	1.2
63.59397	1.3
67.05502	15.5
69.03429	2.7
69.07059	10.7
71.08629	1.8
79.05495	6.4
81.07066	30.5
83.04966	8.1
83.08595	1.6
84.72345	1.8
91.05490	3.0
92.20939	2.9
92.21461	3.6
93.07048	8.7
95.05003	1.9
95.08610	12.4
97.06524	2.1
99.08103	3.4
105.07041	11.0
107.08605	18.1
109.06528	3.2
109.10153	57.9
110.07310	1.4
111.08087	3.7
119.08566	15.7
121.06522	1.5
121.10160	9.9
123.08057	3.1
123.11662	1.6
131.08580	2.7
133.06454	2.9
133.10153	10.5
135.04434	3.6
135.08060	28.1
135.11696	1.6
137.09630	16.6
143.08560	6.4
145.10098	17.5
147.08044	2.4
147.11713	8.4
149.05995	8.2
149.09630	9.8
149.13280	1.5
155.76437	1.5
157.10121	11.4
159.08069	2.4
159.11697	11.8
161.09589	11.1
161.13261	6.4
163.11214	1.9
163.14798	1.9
169.10130	3.6
171.11703	8.2
173.09668	6.5
173.13292	8.5
175.11171	1.9
175.14848	7.3
177.09012	1.6
177.12943	1.8
183.11641	2.1
185.09596	2.9
185.13228	12.8
187.11240	6.6
187.14905	7.3
189.12788	5.6
195.11737	2.6
197.13167	2.9
199.14835	3.6
201.12752	10.0
203.14302	14.3
209.13194	3.0
211.14783	2.2
213.12827	2.0
215.14391	6.6
221.13281	1.7
227.14270	3.3
227.18077	1.9
231.17473	2.1
233.15367	2.9
239.14342	2.0
239.17984	2.7
241.16011	2.4
283.17004	2.3
286.17310	1.6
325.21277	2.2
351.23117	1.9
353.25018	2.2
415.29758	3.0
433.30972	29.8
451.32062	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3206
Annotation	Dysolenticin B
Peak:m/z	Relative Intensity
50.08793	1.0
55.05515	2.1
67.05502	4.9
69.07068	7.4
71.98389	1.1
79.05501	2.5
81.07064	19.6
83.08637	1.6
91.05491	2.7
93.07046	13.3
93.64225	1.3
95.08612	33.3
105.07034	14.0
107.08588	21.4
109.06487	1.8
109.10165	27.3
111.08098	2.0
117.07043	1.8
118.71420	1.4
119.08579	20.6
121.10159	21.1
123.08060	3.0
123.11725	8.3
125.88610	1.2
131.08591	5.9
133.10133	19.7
135.11670	12.2
137.13203	2.0
138.99806	1.3
141.07066	1.3
143.08591	5.9
145.10136	18.6
147.11697	15.4
149.13301	6.8
150.72765	1.2
157.10098	9.5
159.11690	26.5
161.13264	15.5
163.14879	2.1
169.10123	2.6
171.11676	12.7
173.13245	23.9
175.14842	10.1
177.16455	1.7
183.11754	6.0
185.13228	13.8
187.11224	3.0
187.14774	13.1
189.12793	3.0
189.16379	13.9
197.13309	1.9
199.14789	9.3
201.12828	2.2
201.16415	20.0
203.14401	6.4
203.17979	8.2
207.10011	1.5
209.13272	1.6
211.14856	2.0
213.16440	5.9
215.14453	1.7
215.17880	10.9
217.12280	2.1
217.15871	2.8
223.14897	2.4
225.16455	1.9
227.17947	1.8
229.19551	1.8
231.13812	5.4
233.15442	2.0
245.15337	2.9
255.21184	1.4
273.15042	1.3
355.87634	1.4
393.28201	2.0
405.31320	1.4
433.30948	17.2
451.32166	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	451.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	5.7
60.86341	1.0
63.07748	1.2
67.05507	15.5
69.07075	12.4
79.05496	5.0
81.07066	28.1
83.04984	7.3
83.08618	4.9
91.05464	2.9
93.07045	7.6
95.08598	16.2
97.06489	1.7
99.08093	5.9
104.35410	1.7
104.36063	1.3
105.07023	8.0
107.08610	17.3
109.06520	6.0
109.10155	59.4
111.08089	2.0
117.07059	1.6
119.08587	17.4
121.06468	1.6
121.10172	10.0
123.08104	2.7
123.11722	6.3
125.09628	2.5
129.06950	1.6
131.08546	6.8
133.10129	13.7
135.04463	1.7
135.08052	23.4
135.11711	5.0
137.09618	8.1
143.08508	4.6
145.10104	14.2
147.08083	2.0
147.11678	8.4
149.05963	7.2
149.09587	9.8
149.13283	3.1
154.35782	1.4
157.10156	7.8
159.11693	10.6
161.09602	9.7
161.13261	11.3
163.11180	3.0
167.87082	1.9
169.10104	5.0
171.11681	7.8
173.09671	6.8
173.13243	5.4
175.11195	2.2
175.14806	11.4
181.10152	1.7
183.11687	6.5
185.09604	1.7
185.13211	11.6
187.11090	4.2
187.14850	2.9
189.12762	5.2
194.11401	1.4
195.11740	2.5
197.13274	6.4
199.11200	2.8
199.14888	3.2
201.12767	7.6
203.14334	7.5
209.13239	3.0
211.14841	3.0
213.12775	1.6
213.16469	1.5
215.14372	6.1
223.14763	1.7
225.16444	1.8
227.14357	1.6
235.14856	1.6
237.16408	1.6
241.15878	4.7
253.15958	1.6
255.17400	1.3
263.17865	1.7
265.15997	1.7
269.18973	1.9
281.19287	1.5
283.17053	4.6
306.65814	1.4
307.20401	2.4
335.23636	1.9
347.24118	2.2
353.24594	1.6
415.29907	6.4
419.28961	3.0
433.30963	29.1
451.32013	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	6.6
57.07070	1.2
67.05511	23.9
67.79688	1.1
69.07076	10.2
71.05013	2.0
74.06287	1.2
74.66895	1.1
79.05495	9.7
81.06615	2.1
81.07064	44.0
83.08627	12.1
84.23689	1.3
91.05490	6.7
93.07033	17.1
95.08616	46.3
97.06526	2.5
97.10171	9.6
105.07047	14.2
107.08590	20.8
109.10158	24.1
114.09116	1.4
117.06999	2.1
119.08589	15.8
121.10136	17.2
123.11706	9.2
131.08524	10.4
133.10146	11.0
135.11700	14.1
137.13257	2.6
143.08635	1.9
145.10147	12.2
147.11684	7.5
149.13278	6.3
157.10147	2.4
159.11691	9.2
161.13258	2.5
163.14893	2.9
171.11697	1.6
173.13252	5.1
175.14987	1.9
177.16241	1.5
185.13193	2.5
187.14771	1.6
196.76521	1.3
199.14828	1.8
201.16420	1.8
206.10860	1.2
209.63185	1.3
212.33917	1.5
213.16402	1.5
287.24127	1.5
371.33084	1.9
381.31540	4.5
398.34366	12.6
399.32578	23.2
416.35214	33.8
417.33505	10.5
433.37897	13.2
434.36279	27.5
451.38950	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	10.6
57.07087	3.2
67.05510	24.8
69.07072	15.4
71.08639	1.9
79.05492	11.1
81.07066	42.6
83.08627	12.4
91.05480	6.9
93.07037	18.0
95.08607	46.0
97.06507	2.2
97.10188	8.7
101.95947	1.7
105.07053	16.1
106.69617	2.1
107.08607	23.0
109.06464	2.1
109.10186	26.3
111.08122	1.9
111.11713	1.7
113.00021	9.3
119.08578	14.1
121.06528	2.0
121.10149	26.2
123.11713	7.4
131.08577	8.5
133.10159	9.5
135.11726	16.2
137.09532	1.9
142.03244	1.5
145.10146	10.5
147.11674	8.1
149.13277	3.7
154.12292	12.8
157.10063	2.6
159.11699	3.6
161.13213	3.5
163.14873	2.2
169.02646	3.2
171.11751	2.0
171.14897	2.5
173.13243	5.1
175.14813	2.6
185.13208	4.0
187.14783	2.0
258.79636	1.8
329.96994	1.6
339.29031	12.8
371.33322	2.2
379.12192	1.6
381.31674	6.0
398.34204	11.5
399.32599	20.3
416.35327	31.2
417.33667	15.0
433.37747	8.3
434.36310	31.3
451.38861	100.0
467.83292	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	452.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	4.0
57.03440	1.2
57.07077	2.3
58.06599	4.2
58.44216	0.9
60.22356	0.8
61.02919	1.6
69.03439	1.3
71.08657	1.8
74.06094	7.5
75.73648	0.8
76.35136	1.0
81.07042	1.1
85.02888	1.4
86.06085	1.8
88.07639	12.8
95.08604	1.0
105.07053	1.0
106.08678	2.0
109.10119	1.2
118.08646	4.3
122.08145	11.7
136.74733	0.8
187.88034	0.9
213.69702	0.9
226.25215	1.2
242.24765	56.8
246.24547	1.0
252.58583	1.1
256.26303	1.1
272.25897	1.5
274.27374	6.6
289.03461	0.9
290.26895	83.5
333.17365	1.2
351.18237	1.5
452.32181	100.0
454.87503	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	453.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.8
56.63649	0.7
57.03461	0.8
57.76240	0.8
59.11945	0.7
59.87717	0.7
67.05511	5.4
69.03425	2.1
69.07082	14.0
70.06601	1.5
71.05005	1.7
72.59545	0.8
79.05528	1.3
81.03453	1.5
81.07072	10.6
83.04961	1.0
83.08607	1.8
85.02910	17.7
85.06550	1.9
91.05475	2.0
93.07056	5.1
95.08619	10.1
97.02892	5.2
97.06519	0.9
99.04472	5.0
99.08129	1.3
103.03967	18.4
105.07059	2.2
107.08598	7.6
107.28253	1.0
109.02911	3.6
109.06583	1.0
109.10166	17.6
111.11729	3.4
114.09180	2.1
119.08596	4.1
121.10133	5.9
123.08110	0.9
123.11755	3.8
127.03915	23.4
129.12769	4.8
133.10141	1.9
135.08087	0.9
135.11720	3.6
145.05000	9.7
145.10146	5.7
147.11719	5.1
149.13231	1.6
151.11227	1.1
157.10136	1.7
159.11696	1.6
161.09567	1.1
163.06023	7.1
171.11676	1.7
173.13217	1.1
175.08696	1.3
175.14822	1.4
183.11801	1.4
185.13300	1.7
187.14856	3.5
197.13292	1.3
203.05257	3.5
211.14650	1.1
217.15791	1.3
233.15379	1.5
237.22157	1.1
255.23222	6.7
258.11087	1.3
271.07925	1.2
273.24323	2.1
291.12054	13.6
291.25275	2.1
307.10260	1.1
321.09906	1.2
322.10275	3.7
336.12402	1.2
337.12653	10.9
417.31577	1.4
435.32626	9.6
436.13242	1.3
452.84732	1.3
453.17316	100.0
453.33810	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	453.2095
Annotation	Asp Arg Tyr
Peak:m/z	Relative Intensity
60.05662	1.6
70.06588	1.4
71.28088	0.8
72.08158	0.9
74.06097	1.1
76.05125	3.8
82.06608	1.0
84.04521	1.1
84.08122	1.3
84.85133	0.8
85.06439	0.9
86.09715	3.4
96.39478	0.8
116.08249	1.2
120.08089	1.0
127.18601	0.8
129.10239	1.3
130.33182	1.1
136.07567	1.1
138.28629	1.0
156.04701	0.9
188.03789	1.0
240.98178	0.9
301.49826	0.8
334.12500	1.2
411.23520	1.0
431.76410	1.1
446.68292	1.1
453.20969	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	8.1
58.12722	0.9
59.05001	1.6
60.30609	0.9
60.48820	0.8
61.02924	1.2
66.76160	0.8
69.03413	4.2
69.07069	100.0
71.05024	1.2
73.06528	0.8
81.03410	2.1
81.05366	0.9
81.07065	3.8
84.08144	1.3
85.02905	23.8
85.06510	1.4
86.09713	2.3
87.27545	0.9
91.11561	1.1
95.08615	4.8
96.04467	1.0
97.02886	8.2
99.04459	9.5
99.08119	1.2
103.03948	27.6
107.08578	1.3
109.02890	7.5
109.10157	2.0
111.11716	31.7
119.08641	1.1
127.03913	38.5
129.10257	2.0
129.12758	47.0
135.11731	1.7
145.04959	14.0
147.13811	4.0
149.13260	1.2
157.35170	1.1
163.05981	9.4
189.91330	1.0
240.13495	1.3
255.23149	2.4
271.08145	2.4
273.24112	1.5
289.09198	1.8
307.10168	6.9
337.12610	2.1
435.33264	1.0
453.17569	2.1
453.33545	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	453.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	8.1
58.12722	0.9
59.05001	1.6
60.30609	0.9
60.48820	0.8
61.02924	1.2
66.76160	0.8
69.03413	4.2
69.07069	100.0
71.05024	1.2
73.06528	0.8
81.03410	2.1
81.05366	0.9
81.07065	3.8
84.08144	1.3
85.02905	23.8
85.06510	1.4
86.09713	2.3
87.27545	0.9
91.11561	1.1
95.08615	4.8
96.04467	1.0
97.02886	8.2
99.04459	9.5
99.08119	1.2
103.03948	27.6
107.08578	1.3
109.02890	7.5
109.10157	2.0
111.11716	31.7
119.08641	1.1
127.03913	38.5
129.10257	2.0
129.12758	47.0
135.11731	1.7
145.04959	14.0
147.13811	4.0
149.13260	1.2
157.35170	1.1
163.05981	9.4
189.91330	1.0
240.13495	1.3
255.23149	2.4
271.08145	2.4
273.24112	1.5
289.09198	1.8
307.10168	6.9
337.12610	2.1
435.33264	1.0
453.17569	2.1
453.33545	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	453.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39242	1.8
52.97260	1.7
53.03961	2.2
54.86977	1.9
55.05523	8.7
59.05003	4.7
61.02932	2.5
69.03432	13.8
69.06701	3.1
69.07070	81.7
71.05003	3.2
72.49895	1.9
75.83834	2.0
81.03429	13.6
85.02906	74.7
92.21195	3.1
96.08126	11.5
97.02882	23.0
99.04464	28.8
103.03948	82.4
108.99603	2.1
109.02876	12.3
111.11732	23.0
113.10742	3.5
114.09177	28.1
127.03904	100.0
129.12766	36.4
129.37228	2.0
145.04988	44.9
160.73149	2.1
163.06020	38.4
187.06068	2.7
205.07127	2.2
209.16508	15.3
226.19101	2.7
228.15990	4.9
236.86211	2.6
271.08133	4.1
289.09128	8.8
307.10269	21.4
435.33292	2.7
453.34390	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	453.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
54.12349	2.4
54.76290	2.6
55.05529	4.4
57.03443	5.2
57.07070	4.7
61.02934	5.1
67.05516	7.2
69.03438	27.6
69.07056	33.2
73.02935	3.0
73.85117	2.6
76.35981	2.6
79.05489	6.4
81.03423	11.2
81.07057	56.7
83.08638	5.3
85.02909	96.7
85.06543	7.2
91.03947	5.1
91.05447	2.8
93.07044	25.1
95.08605	47.5
97.02876	25.8
97.10163	5.7
99.08086	3.7
105.07022	5.5
107.08607	41.8
109.02880	12.7
109.10155	28.0
114.09182	4.2
119.08627	6.2
121.10121	32.0
123.11707	19.2
124.37910	3.0
127.03917	21.6
133.10118	7.2
135.11684	21.8
137.13326	4.5
141.14444	2.8
145.05005	6.3
147.11604	9.7
149.13237	36.7
159.11641	4.4
161.13239	7.0
163.14816	29.4
169.10052	4.5
177.16374	5.2
179.36865	2.9
189.16429	3.4
289.25244	3.7
291.26831	100.0
316.68109	3.0
344.90198	3.0
351.88205	3.9
409.77600	3.2
417.30029	4.6
435.31110	5.8
453.32245	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	453.3359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.7
55.52898	1.2
59.75405	1.2
67.05508	13.1
69.03439	1.5
69.07070	11.9
70.35730	1.2
79.05497	3.3
79.77158	1.4
81.07059	18.3
83.05009	2.6
83.63141	1.8
85.02908	1.7
85.06574	1.5
91.05489	2.9
93.07038	13.8
95.08608	23.1
99.08109	7.3
105.07042	9.0
107.08586	21.0
109.10162	33.8
110.33140	1.5
111.34256	1.4
112.99184	1.2
114.09173	29.0
119.08568	18.1
121.10126	15.4
123.08064	1.3
123.11675	3.3
125.09589	1.6
128.06232	1.4
130.80510	1.3
131.08588	6.0
131.18288	1.5
133.10107	13.0
135.08060	2.0
135.11725	5.7
143.08572	3.3
145.10117	12.1
147.11679	14.4
149.09641	2.4
149.13335	6.6
157.10149	6.5
159.11684	10.5
161.09604	1.7
161.13326	4.7
163.14873	1.7
165.12773	1.8
169.10150	2.6
171.11674	9.7
173.09618	2.8
173.13280	8.0
175.11203	2.9
175.14882	11.5
177.12711	1.7
181.10225	1.9
183.11755	2.9
185.09520	1.4
185.13252	3.1
187.14828	10.3
189.12769	2.0
197.13234	2.8
199.11028	2.2
199.14838	1.7
201.16389	2.3
209.16521	5.2
211.14795	3.0
215.14371	8.2
221.13358	1.8
223.14784	3.4
225.16418	9.2
226.19116	2.8
227.17865	2.5
228.16200	1.7
233.15294	13.0
237.16335	1.6
239.17989	2.4
241.16020	1.9
243.17587	2.7
251.18047	1.7
263.17862	2.3
267.17386	2.2
269.19025	2.7
309.21527	1.3
322.24802	2.0
337.25256	2.6
355.26379	5.6
377.28500	2.0
395.29504	3.2
417.31625	10.0
435.32608	33.5
440.83755	1.4
453.17267	1.7
453.33719	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.2
61.75012	0.8
63.91650	0.8
65.27797	0.9
67.05502	5.9
69.07069	6.4
71.88991	0.9
79.05508	1.3
79.54368	0.9
81.07059	12.4
83.08601	1.1
92.21542	1.3
93.07041	8.4
95.08615	12.3
96.08076	1.0
97.06538	1.1
99.08085	2.2
105.07022	5.7
107.08607	8.1
109.10158	20.2
111.08064	1.3
114.09180	10.1
117.07024	1.2
118.31815	1.0
119.08566	12.7
121.10152	11.4
123.08036	1.5
123.11713	4.0
125.09606	1.2
127.11170	1.2
131.08580	4.6
133.10110	9.0
135.11717	4.3
143.08493	1.4
145.10117	11.7
147.08022	0.9
147.11649	9.6
149.13269	6.4
157.10176	4.2
159.11684	7.0
161.09572	1.7
161.13246	4.4
163.11119	1.0
169.10080	1.8
171.11690	6.0
173.09659	3.8
173.13235	6.2
175.11224	7.7
175.14809	5.6
183.11684	1.2
185.13286	5.3
187.11383	1.4
187.14804	12.5
189.12720	1.5
195.11743	1.8
197.13222	1.8
199.14880	1.9
201.16341	1.1
203.17976	1.0
205.15936	1.8
205.71806	1.0
209.13202	1.7
209.16490	1.9
211.14751	1.7
213.16370	2.2
215.14304	9.4
223.14799	1.2
225.16472	2.0
227.14296	1.2
227.17903	2.1
229.15819	4.1
233.15352	21.5
237.16447	1.6
241.15833	2.0
243.17429	1.9
249.16220	1.2
265.19507	1.5
267.17529	2.1
269.19052	1.5
327.23294	2.1
335.23972	1.2
351.46881	1.0
355.26199	4.4
367.25806	1.0
377.28354	3.8
392.27121	1.0
395.29544	6.0
417.31686	7.2
419.65341	0.9
435.32529	26.3
453.33618	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32900	1.3
52.40847	1.2
57.30483	1.4
63.43160	1.3
67.05511	9.0
69.07075	9.1
69.75030	1.3
73.88522	1.4
79.05498	3.2
79.97316	1.4
81.07068	19.6
83.04980	2.0
83.35844	1.4
92.49495	1.4
93.07054	8.4
93.49885	1.5
95.08614	21.7
97.06450	1.9
98.19885	1.6
99.08135	2.0
105.07034	7.3
107.08604	16.3
109.06534	1.4
109.10165	32.6
114.09171	6.4
117.07051	2.1
119.08591	16.9
121.06744	1.7
121.10151	11.3
123.11711	3.0
131.08562	2.6
133.10167	12.0
135.11703	8.3
143.08603	2.1
145.10138	8.8
147.08061	1.9
147.11739	12.2
149.09499	1.8
149.13268	6.6
157.10164	6.2
159.11708	7.5
161.09615	2.3
161.13274	7.4
169.10156	2.7
171.11702	7.6
173.09615	2.3
173.13249	6.4
175.11198	10.3
175.14857	3.7
183.11766	3.0
185.13309	6.9
187.11314	2.5
187.14870	9.7
194.54338	1.5
197.13226	2.7
201.16351	3.0
211.14825	2.5
215.14351	10.3
225.12689	1.9
225.16385	3.1
227.17896	2.9
233.15332	16.0
239.17850	2.3
269.19101	2.2
271.84909	1.5
285.18640	2.6
355.26260	1.9
395.29391	3.7
417.31421	9.1
435.32681	27.0
453.33688	100.0
469.13126	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	453.3359
Annotation	lucialdehyde B
Peak:m/z	Relative Intensity
53.23647	1.3
59.39671	1.5
66.92628	1.5
67.05508	9.8
69.07055	12.8
71.05026	1.5
81.07069	13.2
83.04986	2.8
83.08632	1.9
83.62087	1.5
92.21501	1.9
93.07044	10.6
95.08600	22.8
97.06506	2.0
97.10124	1.8
105.07059	6.5
107.08606	14.4
107.19162	1.7
109.06503	1.9
109.10154	35.7
114.09161	2.9
119.08557	16.8
119.34991	2.0
121.10161	9.9
123.11719	6.6
125.09669	1.6
131.08549	6.4
133.10136	11.0
135.11681	8.5
137.09660	2.3
143.08627	2.2
145.10155	7.8
147.11684	10.4
149.13223	2.0
157.10077	2.7
159.11674	3.9
161.13260	6.5
163.14810	1.7
169.10146	3.3
171.11700	6.6
173.13289	7.1
175.14853	7.6
183.11801	3.5
185.13260	3.9
187.14838	3.1
195.11632	2.6
197.13179	2.4
199.14833	6.7
201.16370	2.2
209.13338	2.2
213.12869	2.0
213.16396	2.6
223.14966	2.5
225.16502	3.2
229.16023	2.1
239.18018	2.1
249.16403	2.0
257.19025	2.4
265.19458	2.3
269.19113	2.7
279.20779	1.8
289.19391	1.8
295.20563	2.0
301.68185	1.6
307.24252	3.0
323.23828	2.8
341.10654	1.9
349.25302	6.4
353.24725	1.9
397.27350	3.7
407.33167	3.5
417.31357	8.3
423.32965	2.7
435.32526	25.9
453.33664	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	5.7
57.07083	3.8
59.05001	0.9
67.05514	21.8
69.03440	1.9
69.07073	29.8
69.58255	0.8
71.05004	6.7
71.08645	3.8
79.05504	6.1
81.07063	47.8
83.04982	14.9
83.08605	6.8
85.06551	4.3
91.05517	4.4
92.18473	0.9
93.07047	11.5
95.04968	1.6
95.08613	29.9
96.97631	0.9
97.06535	4.5
97.10179	3.8
99.08103	18.4
101.09679	4.3
105.07036	9.7
107.04982	1.1
107.08594	32.6
109.06547	4.8
109.10163	74.8
111.08091	6.1
111.11740	1.3
114.41983	1.0
117.07037	1.5
119.08581	19.7
121.06514	1.3
121.10166	19.8
123.08060	7.2
123.11732	8.8
125.09649	5.8
128.06242	0.9
131.08560	8.2
133.06471	2.0
133.10139	13.4
135.08058	18.0
135.11713	7.6
137.09650	4.3
137.13231	1.0
143.08603	4.9
145.10121	14.9
147.08095	3.9
147.11649	14.1
149.09618	10.5
149.13260	4.3
151.11191	4.1
153.12738	1.4
155.08511	2.8
157.10115	10.8
159.08121	1.2
159.11652	12.6
161.09642	4.6
161.13219	9.7
163.11206	4.6
163.14871	1.2
165.12735	1.0
169.10089	8.1
171.11687	10.1
173.01114	1.0
173.09633	3.6
173.13239	7.5
175.11188	2.2
175.14824	8.6
177.12747	3.5
177.16388	2.1
179.14357	1.1
181.10123	1.8
182.29492	0.9
183.11729	7.4
185.09647	1.4
185.13194	8.2
187.11192	2.4
187.14795	8.3
189.12805	4.8
189.16414	1.9
191.14337	1.8
195.11736	3.6
195.13742	1.4
197.13264	4.9
199.11234	2.4
199.14838	6.2
201.12776	6.1
201.16533	1.1
203.14423	3.8
205.15967	4.1
209.13354	2.1
211.14897	2.1
213.12695	1.7
213.16357	1.9
215.14355	4.7
221.13290	3.2
223.14830	4.4
225.16399	7.6
227.14331	3.6
227.17871	1.4
229.15828	2.1
231.17448	1.7
233.15446	2.4
237.16463	2.1
239.17949	5.2
241.15866	3.9
243.17387	13.8
245.19093	1.2
251.17928	1.9
253.15862	1.7
253.19565	2.1
255.17477	5.1
257.19043	5.5
259.17041	1.9
259.20413	1.4
267.17471	5.5
269.19006	3.6
271.20718	2.2
281.19196	1.1
285.18549	13.2
287.20221	3.1
297.22220	1.6
307.20612	1.4
309.22382	3.7
325.21539	1.3
327.61459	1.3
335.23868	4.1
337.25104	6.9
343.23248	1.0
349.25369	1.3
353.24731	6.9
355.26602	1.7
391.29758	1.4
393.31659	1.4
395.29694	1.1
397.27216	3.8
409.30981	1.5
417.31668	8.3
435.32632	46.2
453.33640	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76876	2.9
57.07084	6.1
57.77162	3.0
58.37787	2.7
59.41298	3.0
60.01441	3.7
64.14967	3.5
67.05506	4.8
68.78312	2.7
69.07061	5.9
73.51231	3.1
78.95251	4.5
80.11333	3.4
81.07062	14.9
89.06036	19.4
90.06345	4.6
93.07032	5.5
95.08590	28.2
98.27314	3.8
105.07037	7.0
107.08615	14.1
109.10148	28.2
113.00018	7.7
117.95280	3.5
119.08582	15.2
121.10121	4.9
123.11726	5.5
124.66650	3.4
131.08583	5.9
133.10139	18.2
145.10143	4.7
145.12271	5.6
147.11697	14.1
149.13251	6.0
155.07016	14.9
163.13197	4.0
164.13690	4.2
169.02637	7.5
173.09592	3.9
176.27603	3.3
183.11658	4.4
187.14818	7.8
211.14784	4.3
215.14246	6.4
223.14806	5.5
230.30238	3.6
233.15372	18.1
250.19209	3.6
287.60605	4.1
318.19943	6.1
355.26328	6.2
417.31659	4.2
435.32440	23.2
453.33762	100.0
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
50.04685	0.4
50.87956	0.3
51.06482	0.3
51.89741	0.4
69.07066	2.8
75.33502	0.4
96.08131	14.3
96.88685	0.4
97.06527	0.6
97.32204	0.4
104.79626	0.5
110.41586	0.4
113.10767	9.2
114.09165	43.4
132.10199	0.9
208.18098	2.4
209.16486	40.4
210.14929	0.8
226.19147	12.3
227.17526	6.1
228.15941	11.8
235.84322	0.4
243.43176	0.5
261.80551	0.5
321.26495	1.9
322.24878	23.8
339.27530	4.6
340.25906	3.9
341.24365	0.8
435.33331	15.7
453.34344	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.8
69.07081	9.0
70.06568	1.0
72.08152	1.3
79.05484	1.7
84.08146	1.8
85.02920	0.9
86.09726	1.2
96.05654	0.8
96.07513	1.2
96.08135	32.3
97.06535	1.3
103.03936	1.1
113.10773	18.3
114.09171	83.3
115.16650	0.7
120.08099	3.9
127.03879	1.6
128.08176	0.8
129.10262	1.8
132.10265	2.7
145.04893	0.8
163.06012	0.9
208.18007	1.0
209.16489	47.3
210.16875	0.9
219.41800	0.7
226.19122	11.9
227.17545	12.0
228.15984	16.5
304.59042	0.8
313.77103	0.8
322.24890	16.1
339.28122	1.0
340.25925	5.6
435.33493	8.7
453.34357	100.0
459.47678	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	454.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53167	1.8
69.03429	14.1
71.04975	4.1
73.66418	2.0
75.79474	1.8
81.03410	10.4
85.02908	66.6
89.05431	1.9
92.21019	3.0
97.02886	23.8
99.04461	24.4
99.76246	2.0
103.03949	77.2
105.03350	1.9
109.02872	9.2
111.14748	2.5
117.43538	2.7
127.03916	100.0
127.04849	4.8
145.04958	51.6
163.06007	37.5
212.06487	2.3
270.26212	2.4
271.08157	3.8
289.09076	5.4
307.10239	18.2
313.94122	2.7
358.82751	2.7
359.35623	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	454.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.0
57.99648	0.7
61.02918	1.5
69.03431	8.0
77.14218	0.9
81.03433	4.8
85.02910	71.1
92.21519	0.9
95.08640	1.1
97.02892	23.2
99.04453	19.2
103.03946	82.1
109.02880	14.0
127.03913	100.0
145.04956	31.7
145.06071	1.4
163.06001	26.6
187.05971	1.7
192.28162	0.9
205.07019	8.1
243.76619	1.0
256.06763	0.9
271.08109	1.9
289.09177	12.0
307.10233	35.6
376.96771	0.8
419.22446	1.1
436.32489	1.5
454.33771	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	454.2926
Annotation	LysoPE(0:0/16:0)
Peak:m/z	Relative Intensity
54.75153	1.5
55.31551	1.5
57.03435	3.7
57.06858	1.6
57.07083	24.1
62.06088	20.9
69.07085	1.9
71.08632	16.3
81.07053	7.1
81.46787	1.7
83.08640	2.8
85.10179	13.8
95.08612	9.7
97.10236	1.7
98.98451	2.8
104.33357	2.0
109.10156	8.9
134.30124	1.8
141.75668	1.6
155.00972	2.6
174.07358	2.2
282.28018	19.5
288.11957	1.8
313.27332	100.0
393.23895	9.5
436.28250	21.7
454.29376	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	454.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73615	0.5
54.08335	0.5
55.05513	1.5
57.03441	8.5
57.07082	28.6
59.18307	0.7
67.05505	5.1
69.07059	5.3
71.08633	23.0
73.93736	0.6
75.20480	0.6
81.07056	9.5
83.08627	7.1
85.10181	15.6
89.06052	3.7
95.08602	12.4
97.10175	4.5
99.55689	0.6
103.07584	0.9
106.14764	0.7
109.10159	5.9
109.39542	0.7
117.41505	0.6
121.10129	0.8
122.63496	0.7
123.11724	2.8
142.53000	0.7
163.87045	0.6
166.88689	0.7
222.22495	0.6
257.24777	2.8
265.81799	0.7
282.27881	3.2
313.27359	100.0
381.98816	0.7
454.29303	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	454.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	20.3
57.07084	16.4
67.05225	1.7
67.05511	27.6
69.07064	31.8
71.08623	11.5
72.08155	1.9
79.05504	3.4
80.06332	1.6
81.07059	47.4
83.08614	54.1
84.08131	1.9
85.06541	1.9
85.10187	2.1
85.86227	1.9
86.06092	1.9
91.05484	9.7
92.46573	1.8
93.07044	14.7
95.08591	53.6
97.06532	9.0
97.09579	2.4
97.10157	24.7
100.07648	12.3
105.07005	6.7
107.08591	12.3
109.10152	38.2
111.08058	13.6
111.11708	3.3
114.09167	9.1
119.08552	13.5
121.10147	19.4
123.08046	3.6
123.11697	15.6
124.01431	1.8
125.09599	2.9
128.10704	3.3
133.10129	17.2
135.11703	8.5
137.09576	2.9
137.13261	2.8
141.12692	1.9
142.12270	2.1
147.11656	13.2
149.13220	4.2
151.11191	3.4
154.12257	1.9
155.14330	2.0
161.13202	9.8
163.14809	3.8
165.16350	3.3
175.09711	2.2
175.14767	6.4
177.16399	1.8
179.17960	2.6
189.16406	2.8
204.79530	2.0
212.23720	4.1
213.24014	2.7
245.22620	16.8
249.42026	1.8
250.03828	1.7
263.23685	33.8
268.26315	7.4
269.26663	9.7
277.93845	1.8
280.26318	52.3
298.27304	8.1
454.35120	100.0
454.40866	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	455.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18291	0.9
55.59366	1.2
65.39245	0.9
70.06593	6.1
72.53693	1.0
77.53481	1.0
77.53961	0.9
79.11533	1.0
84.08157	1.7
86.09700	14.4
90.09703	1.0
98.45393	1.1
116.07102	26.6
118.03266	1.6
129.10251	1.3
143.13680	1.1
147.05879	9.3
149.07462	2.0
177.03354	2.1
206.05705	11.7
207.06334	7.2
227.17505	9.8
229.15469	14.2
325.10098	9.7
343.39706	1.2
369.11548	6.3
411.12561	9.9
437.15054	2.1
450.91528	1.5
455.11572	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	455.1157
Annotation	Neurodazine
Peak:m/z	Relative Intensity
50.03750	0.6
54.06942	0.6
65.86841	0.7
90.60270	0.8
112.89611	1.6
164.96086	1.0
168.88203	0.7
216.75148	0.8
288.49457	0.9
304.73633	0.9
455.11624	100.0
459.86664	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	455.1157
Annotation	Neurodazine
Peak:m/z	Relative Intensity
51.97408	0.5
52.65731	0.6
52.98254	0.6
53.01502	0.5
58.38711	0.6
59.18033	0.6
112.89604	1.5
147.12102	0.7
268.99280	0.9
455.11609	100.0
462.57007	0.8
471.58667	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	455.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58437	0.1
51.80603	0.1
55.70986	0.2
67.05498	0.2
69.07037	0.3
81.07043	0.5
84.08127	0.2
85.02885	0.2
92.20992	0.2
93.07016	0.3
95.08581	1.1
96.03835	0.2
105.07007	0.5
107.08569	0.8
109.10107	0.3
119.08544	0.2
121.10098	0.3
131.08540	0.3
133.10129	0.4
135.11693	0.8
145.10135	0.8
147.11703	0.9
157.10135	0.2
159.11763	0.7
161.13269	0.8
173.13165	0.2
175.14789	0.4
185.13205	0.4
187.14830	0.4
198.97707	0.2
207.06520	100.0
211.14825	0.2
319.55228	0.3
361.36423	0.2
369.11893	1.1
455.11768	11.2
455.17117	0.5
455.35461	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	455.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58437	0.1
51.80603	0.1
55.70986	0.2
67.05498	0.2
69.07037	0.3
81.07043	0.5
84.08127	0.2
85.02885	0.2
92.20992	0.2
93.07016	0.3
95.08581	1.1
96.03835	0.2
105.07007	0.5
107.08569	0.8
109.10107	0.3
119.08544	0.2
121.10098	0.3
131.08540	0.3
133.10129	0.4
135.11693	0.8
145.10135	0.8
147.11703	0.9
157.10135	0.2
159.11763	0.7
161.13269	0.8
173.13165	0.2
175.14789	0.4
185.13205	0.4
187.14830	0.4
198.97707	0.2
207.06520	100.0
211.14825	0.2
319.55228	0.3
361.36423	0.2
369.11893	1.1
455.11768	11.2
455.17117	0.5
455.35461	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	455.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19508	0.7
56.92171	0.7
58.46249	0.8
63.65609	0.7
65.27168	0.7
65.46487	0.7
68.55589	0.7
70.06596	2.0
79.05493	0.8
88.26018	0.7
91.78876	0.7
101.72360	0.8
110.07170	1.3
207.52748	0.9
213.58122	0.9
275.11111	1.2
396.04593	0.9
455.13348	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	455.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28412	0.6
51.57901	0.6
64.34038	0.8
65.84270	0.7
67.46534	0.6
71.06110	7.8
71.06734	0.6
71.52642	0.6
72.04501	1.0
77.00638	6.7
78.03806	0.9
84.04454	0.9
85.04008	1.0
86.06053	0.9
86.76678	0.8
99.05555	2.9
102.03745	1.4
110.00945	1.2
113.03450	0.9
118.03229	27.7
120.04787	2.9
130.03230	8.4
130.05005	1.7
131.04530	15.2
131.06384	1.2
132.04779	3.0
134.00941	0.8
142.08635	6.7
143.04570	0.8
147.05873	81.7
149.07434	34.5
150.00403	1.7
152.04720	0.8
155.04480	1.8
156.80891	0.8
159.05843	1.6
164.01978	0.8
176.02017	1.1
177.03293	36.8
177.04865	1.2
177.06732	0.8
181.04628	4.5
184.09685	4.8
193.04648	0.8
204.04457	0.9
205.04692	3.1
209.00533	10.8
213.12387	1.6
254.06252	4.1
259.11215	1.7
261.12683	1.2
268.07822	1.7
301.34067	0.8
307.08990	1.0
308.07141	1.2
308.59268	0.8
325.09964	100.0
327.51529	0.9
437.15207	16.5
455.16376	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	455.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.9
57.07061	2.5
67.05057	1.4
67.05514	11.1
68.76198	1.7
69.03424	8.7
69.07059	8.5
70.06595	16.4
73.02911	1.7
79.05516	1.6
81.03418	7.2
83.04984	7.4
83.08622	2.4
83.20777	1.5
84.08179	2.3
85.02908	14.8
85.06530	10.6
86.06061	6.6
86.09694	8.7
87.00830	3.0
87.63442	1.3
93.07037	3.6
95.04953	3.1
95.08609	69.2
96.08121	10.1
97.02882	6.8
97.08447	2.3
99.04437	2.4
99.74291	1.4
105.01866	2.1
105.07030	2.9
107.08568	14.8
109.02882	12.7
113.06009	6.7
113.10796	2.6
114.09158	29.3
114.11109	2.0
115.09521	17.5
116.09605	3.5
118.40981	1.4
119.08582	16.6
121.06480	3.0
121.10145	11.3
123.08082	28.3
127.03911	14.3
131.08546	6.4
133.10135	6.2
135.08095	2.1
135.11699	12.1
137.09619	2.3
145.04807	2.2
147.08018	6.6
147.11633	7.5
149.09607	41.4
151.14702	2.0
152.05705	2.4
156.09387	2.9
159.11618	1.5
161.13257	11.4
163.11177	8.8
165.12735	3.0
171.11658	5.9
174.10420	9.3
179.14247	2.7
183.14896	2.6
189.12737	29.2
191.14299	11.3
202.88850	1.7
207.13779	64.7
209.16463	17.4
210.16809	16.6
211.14397	2.8
211.17107	7.2
213.12529	2.1
226.19203	5.8
227.19452	7.1
228.19783	4.0
229.16187	3.1
230.16588	2.5
236.38950	1.8
245.14949	10.5
249.15010	2.4
291.19235	1.7
295.07370	1.8
313.08377	2.4
322.24899	1.9
323.25177	3.7
324.25488	20.3
342.20425	2.5
342.26761	1.8
393.19299	1.9
423.13696	6.3
437.17981	2.1
437.33917	15.9
455.13412	2.2
455.19226	16.4
455.28601	10.2
455.34836	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54768	1.7
53.03968	2.0
53.09151	1.4
54.20800	1.4
55.01860	3.0
55.05522	2.2
61.02937	2.0
66.53100	1.5
67.05505	2.6
68.35698	1.7
68.63573	1.6
69.03432	59.1
70.06593	9.0
71.04986	2.8
73.02943	3.4
73.81240	1.6
78.35866	1.5
79.05474	2.1
81.03421	22.0
81.07054	2.8
83.04996	3.3
85.02909	37.3
85.06545	2.4
86.09712	2.2
87.00829	18.1
91.05444	2.0
93.07047	3.0
93.74454	1.6
95.04983	3.4
95.08614	17.2
97.02872	16.0
99.04454	7.2
105.01880	14.9
105.07042	13.7
107.08608	11.2
109.02873	20.6
109.06529	4.3
109.10178	9.2
111.08088	3.2
119.08585	15.3
121.06518	2.4
121.10163	20.0
121.60623	1.7
123.08060	45.8
125.09662	4.6
127.03905	29.4
129.01845	4.0
129.05531	1.9
131.08580	3.1
133.06471	2.7
133.10133	10.8
135.08031	4.6
135.11736	3.8
137.06064	2.3
137.09601	18.6
137.13268	4.3
145.04935	3.3
145.10059	2.2
147.08054	4.6
147.11707	16.5
149.09607	10.9
151.07518	21.8
153.59570	1.8
156.09268	2.0
159.02878	4.3
161.09621	3.0
161.13248	13.3
163.07495	1.7
163.11154	15.1
164.56880	1.9
165.09100	40.8
165.10431	2.2
165.12738	26.9
170.43832	2.0
171.11623	2.5
174.10492	3.4
179.85239	1.7
187.11159	3.9
189.12756	52.2
193.08623	2.3
201.12802	4.3
203.14233	3.0
207.13797	100.0
213.03981	2.2
213.12447	4.1
229.12286	7.7
231.04912	4.4
231.13698	3.7
249.14893	11.2
314.10168	2.1
317.36685	2.1
342.89389	2.0
413.14233	12.9
419.17001	4.0
437.18115	8.3
455.13184	81.3
455.19031	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	455.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72532	0.6
55.05513	1.2
57.59174	0.7
58.04080	4.5
59.00462	0.7
60.05657	5.9
66.33183	0.7
67.05501	0.8
67.37399	0.7
70.06604	6.0
72.04520	13.7
74.06076	12.6
76.05122	6.0
79.05506	1.2
80.05012	3.2
82.06561	1.3
84.08146	0.9
86.09692	3.6
92.26219	0.9
94.06590	1.0
97.10151	3.0
108.04501	0.9
109.10143	1.0
110.06028	0.9
110.07172	1.2
116.08212	96.5
117.61705	0.7
118.05022	12.6
118.06449	0.7
120.08092	9.9
122.09579	1.0
124.63769	0.7
125.09603	4.2
126.05489	1.1
128.23482	0.8
129.10248	0.9
134.06047	0.8
135.06700	0.9
135.11620	0.9
136.07559	0.9
138.09140	1.0
140.29419	0.8
142.06105	3.9
146.06107	1.0
150.08955	0.8
160.05890	1.5
160.07166	32.9
164.07010	1.8
180.06348	0.8
182.08041	1.0
192.06580	1.1
198.12802	1.1
207.07722	1.0
211.83817	0.9
223.12341	0.8
249.51402	0.9
260.12863	9.8
272.16315	1.4
278.13870	3.8
290.17496	1.3
298.14209	0.9
300.15921	1.5
316.15472	1.8
318.17120	0.9
334.16357	1.1
354.16446	1.2
359.15793	1.2
377.16983	0.9
395.17639	1.9
409.20551	1.0
411.22354	1.0
419.19000	1.4
437.20209	16.2
455.21231	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40187	2.7
55.05494	5.8
63.89619	2.9
66.29588	2.5
67.05491	16.4
69.07069	25.5
71.04974	5.8
77.26842	2.7
79.05489	7.2
81.07049	32.7
83.08620	5.2
91.05472	6.2
93.07054	39.2
95.08614	52.9
96.37585	3.2
97.06516	5.6
105.07047	17.6
107.08592	39.0
109.06511	6.0
109.10164	47.1
111.08050	4.4
117.07016	16.6
118.17825	3.5
119.08569	41.1
121.06478	3.4
121.10136	32.2
123.08043	23.8
123.11710	15.9
125.05959	6.4
125.09576	5.4
129.07030	5.1
131.08562	36.1
133.10138	27.6
135.08031	12.7
135.11690	5.5
137.09587	23.8
139.07549	3.5
139.34239	3.5
143.08560	6.7
145.10150	36.0
147.11668	27.2
149.05946	19.6
149.09570	29.6
149.13223	18.5
153.09048	4.4
157.10114	17.6
159.11688	29.4
161.09575	5.2
161.13234	17.4
163.07521	16.5
163.11197	8.2
169.10095	4.9
171.11688	27.5
173.13260	81.0
175.14809	5.5
177.09103	6.1
185.13213	5.0
187.14789	63.2
191.14317	4.6
197.13248	14.4
205.15886	79.1
215.14326	30.3
233.15334	100.0
251.16353	6.2
310.27435	3.8
419.28973	26.2
437.29791	35.4
455.15375	4.1
455.29999	10.8
455.35239	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	455.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89708	2.0
60.04527	2.3
70.06599	20.0
72.04501	2.0
72.08160	8.9
73.22731	2.1
84.04515	2.3
84.08150	5.0
86.09714	57.7
95.41229	2.3
96.08156	2.6
102.49043	2.1
104.07832	1.9
104.64689	2.1
110.07149	3.8
110.76887	2.1
113.21889	2.4
114.09177	2.4
116.06274	3.6
116.07096	100.0
116.08272	3.1
123.75673	2.0
129.10303	3.0
135.61058	2.1
136.07616	2.2
143.61868	1.9
172.99397	2.1
218.32198	2.1
227.17520	37.2
229.15446	72.2
324.26596	2.5
393.08337	3.7
455.11758	3.8
455.24030	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	455.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01903	1.2
55.05523	13.5
55.74522	1.2
57.03445	4.8
57.07086	5.9
60.04230	1.0
61.02928	6.4
67.05512	19.3
69.03445	19.8
69.07074	21.0
71.04979	1.8
71.08617	1.6
73.02908	5.7
79.05505	4.8
81.03430	9.9
81.07064	56.6
83.04967	1.2
83.08632	17.7
85.02911	81.7
85.06539	4.8
87.04462	2.4
91.03970	2.1
91.05473	1.9
92.21340	1.3
93.07049	12.9
95.04946	1.4
95.08613	100.0
96.08909	1.0
97.02901	25.2
97.06532	2.0
97.10168	10.0
99.04475	4.9
99.08106	5.0
105.07025	5.2
107.08604	16.4
107.99357	1.2
109.02200	1.0
109.02851	9.7
109.06516	1.9
109.10165	68.3
110.40147	1.2
111.08110	1.5
111.11722	1.7
115.03909	1.5
119.08583	8.7
121.10155	12.8
123.11708	24.2
125.09618	2.0
127.03923	13.7
131.08554	2.6
133.06526	2.0
133.10141	7.6
135.11708	7.4
137.13254	9.9
141.06638	2.9
143.08589	1.6
145.04964	7.1
145.10106	5.9
147.11688	5.4
149.09576	1.4
149.13274	8.5
151.14822	19.4
154.79901	1.2
157.10138	2.7
159.11687	5.3
161.13280	2.0
163.14806	5.6
169.10156	1.8
171.11694	1.7
173.13214	6.1
175.14801	5.3
177.12747	1.3
177.16393	2.7
183.11768	1.9
185.13155	1.8
187.11385	1.5
187.14783	4.6
199.14839	1.3
203.14417	1.3
266.37247	1.3
269.19016	1.2
273.36926	1.3
291.26846	2.3
293.28387	73.0
303.27255	1.2
305.28314	5.1
335.29538	2.6
359.29254	1.6
371.29520	1.9
383.29276	2.2
401.30710	9.2
419.31946	11.0
437.34192	11.7
455.25903	3.8
455.34341	30.3
459.60269	1.3
469.75131	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	455.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.9
55.01876	1.6
55.05523	13.3
57.03439	5.2
57.07079	5.7
59.92484	1.2
61.02920	6.4
67.05508	19.2
69.03431	19.7
69.07071	25.1
71.04988	2.3
71.08627	2.4
73.02915	5.4
74.57505	1.3
76.41107	1.1
79.05490	5.5
81.03411	9.7
81.06617	2.5
81.07060	56.4
83.08627	19.7
85.02907	86.3
85.06544	2.3
87.04485	5.2
91.03978	2.3
92.20984	1.7
93.07073	11.6
95.08606	100.0
96.21136	1.6
97.02895	25.1
97.10171	10.9
99.04444	3.3
99.08089	1.5
105.07030	7.0
107.08592	17.6
109.02876	7.1
109.09435	2.9
109.10155	65.8
111.11722	2.6
113.09640	1.4
115.03999	1.9
119.08563	10.5
121.10160	13.4
123.11700	31.1
127.03935	13.5
131.08554	3.1
133.10130	7.5
135.08075	1.4
135.11702	9.1
137.13275	10.9
145.04939	9.9
145.10135	5.7
147.11690	7.2
149.13232	11.2
151.14813	16.4
159.11696	8.0
161.13252	6.8
163.14851	6.1
165.16408	1.8
171.11636	2.6
173.13283	5.8
175.14857	2.0
183.11688	2.3
185.13351	1.5
187.14836	3.1
189.12721	1.7
239.02147	1.4
240.96320	1.4
291.26874	2.2
293.28357	73.0
305.28186	3.1
317.28345	2.6
335.29254	2.3
359.29346	3.0
366.17758	1.3
371.29529	2.6
383.29483	5.7
401.30310	10.4
419.31744	16.4
422.47809	1.5
435.46408	1.9
437.33969	18.8
455.34918	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	455.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.9
55.01876	1.6
55.05523	13.3
57.03439	5.2
57.07079	5.7
59.92484	1.2
61.02920	6.4
67.05508	19.2
69.03431	19.7
69.07071	25.1
71.04988	2.3
71.08627	2.4
73.02915	5.4
74.57505	1.3
76.41107	1.1
79.05490	5.5
81.03411	9.7
81.06617	2.5
81.07060	56.4
83.08627	19.7
85.02907	86.3
85.06544	2.3
87.04485	5.2
91.03978	2.3
92.20984	1.7
93.07073	11.6
95.08606	100.0
96.21136	1.6
97.02895	25.1
97.10171	10.9
99.04444	3.3
99.08089	1.5
105.07030	7.0
107.08592	17.6
109.02876	7.1
109.09435	2.9
109.10155	65.8
111.11722	2.6
113.09640	1.4
115.03999	1.9
119.08563	10.5
121.10160	13.4
123.11700	31.1
127.03935	13.5
131.08554	3.1
133.10130	7.5
135.08075	1.4
135.11702	9.1
137.13275	10.9
145.04939	9.9
145.10135	5.7
147.11690	7.2
149.13232	11.2
151.14813	16.4
159.11696	8.0
161.13252	6.8
163.14851	6.1
165.16408	1.8
171.11636	2.6
173.13283	5.8
175.14857	2.0
183.11688	2.3
185.13351	1.5
187.14836	3.1
189.12721	1.7
239.02147	1.4
240.96320	1.4
291.26874	2.2
293.28357	73.0
305.28186	3.1
317.28345	2.6
335.29254	2.3
359.29346	3.0
366.17758	1.3
371.29529	2.6
383.29483	5.7
401.30310	10.4
419.31744	16.4
422.47809	1.5
435.46408	1.9
437.33969	18.8
455.34918	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	455.3517
Annotation	Glycyrrhetaldehyde
Peak:m/z	Relative Intensity
54.43047	1.4
55.05508	3.6
57.07081	2.7
59.67859	1.3
64.71856	1.7
67.05505	14.1
69.04549	2.5
69.06753	1.6
69.07075	15.4
70.22826	1.3
71.27018	1.4
79.05503	7.1
81.07061	23.0
83.08636	2.8
91.05475	2.8
91.19711	1.4
93.07041	17.3
95.04987	1.9
95.08609	32.0
97.06573	2.3
97.10179	3.2
105.07021	12.6
107.08605	21.9
109.10156	69.0
111.08073	1.8
117.06969	1.6
119.08556	20.3
121.10108	16.2
123.08038	1.8
123.11696	7.6
125.09637	1.7
129.06981	1.8
131.08571	3.0
133.10173	13.5
135.11710	6.9
137.13196	1.8
143.08545	7.2
145.10153	13.4
147.11678	15.4
149.09677	1.8
149.13231	3.1
155.08563	2.4
157.10107	11.5
159.11682	13.5
161.13257	10.5
169.10098	13.0
171.11693	15.4
173.13243	10.6
175.14813	7.5
182.66884	1.7
183.11668	11.4
185.13248	9.7
187.14853	6.3
195.11681	6.8
197.13295	8.0
199.14886	7.8
201.16353	3.3
207.11697	1.9
209.13295	6.7
210.14255	1.8
211.14807	7.9
213.16315	2.3
223.14836	8.2
224.15555	1.9
225.16377	11.4
227.18019	3.8
237.16364	7.8
239.17958	2.5
241.15910	2.2
241.19447	1.8
249.16451	2.4
251.17961	3.1
253.19485	8.6
265.19513	6.2
267.21246	2.4
269.19034	7.3
269.22681	2.6
271.20428	5.8
277.19324	2.1
283.20721	1.9
292.21841	3.3
293.22672	2.1
309.22101	7.5
310.22943	3.5
333.25784	2.8
401.31839	4.0
419.33011	28.4
437.28073	2.0
437.34125	57.1
446.32391	1.9
455.35178	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.4
55.73939	1.6
57.22540	1.5
61.50120	1.8
67.05505	4.3
69.07060	7.5
71.05006	16.0
79.05485	2.9
81.07077	13.6
83.08610	3.4
93.07072	3.4
95.08601	21.5
97.10157	2.6
99.08109	2.2
105.07025	7.2
106.34435	2.1
107.08598	17.9
109.10165	44.7
119.08594	24.3
121.10140	26.7
123.11685	17.6
127.11195	31.3
131.08536	2.4
132.80806	2.5
133.06429	2.3
133.10123	14.1
135.08035	3.9
135.11688	11.0
137.25351	2.1
141.12762	4.3
142.29999	2.2
145.10078	14.2
147.11682	19.3
149.09621	8.1
149.13258	8.7
151.11186	2.3
157.10118	4.1
159.11679	23.7
160.33665	2.3
161.09598	2.6
161.13284	12.5
163.14819	3.2
171.11713	9.4
173.09633	2.9
173.13228	9.2
175.14774	2.6
183.11694	13.2
185.13243	10.5
187.14861	7.7
189.12724	2.7
189.16344	3.5
197.13280	3.3
199.14842	10.1
201.12737	3.5
201.16362	8.0
201.51427	2.0
206.42760	2.2
211.14737	2.6
215.14316	7.7
215.17943	3.8
233.18922	2.5
237.16327	2.5
241.15483	1.7
248.68872	2.1
251.17805	3.0
401.32217	2.8
419.33096	12.2
437.34042	50.7
455.35138	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.3
57.07080	4.1
66.11096	2.5
67.05511	6.3
67.18804	2.8
67.21678	2.9
69.07076	6.5
70.84078	2.9
71.04996	5.3
74.06082	13.0
79.05511	5.6
80.05004	3.0
81.07061	18.1
82.05927	3.0
83.08633	4.9
86.09684	10.2
91.05482	5.1
93.07054	10.1
95.08608	28.0
97.10130	3.5
105.07037	5.9
106.83065	3.0
107.08610	30.0
109.10165	34.6
114.09143	12.7
116.08205	44.7
118.05004	4.2
119.06097	2.9
119.08591	19.8
120.08097	11.9
121.10193	20.3
123.11704	19.6
125.09619	12.0
127.11203	22.6
129.07002	3.7
131.08553	3.3
133.10141	16.3
135.11736	12.7
136.07573	3.7
141.12727	3.7
143.08586	3.7
143.10674	14.5
145.10104	13.7
147.11693	14.8
149.13274	4.0
157.10158	5.2
159.11699	12.6
160.07199	4.5
161.13272	18.2
167.79485	2.8
171.11652	4.4
173.13229	14.2
175.14899	4.4
183.11700	11.7
184.07288	11.1
185.13231	13.1
187.14827	7.1
189.16412	5.0
195.67300	3.1
198.09642	3.1
199.14798	4.1
201.12723	3.2
203.14339	4.8
209.13142	3.4
211.14699	4.8
223.14781	2.9
225.16429	4.4
227.17831	3.8
244.16953	15.9
253.19467	3.1
262.24564	3.4
274.15405	3.1
297.21933	4.2
310.22891	3.9
367.30270	3.2
411.26193	4.2
419.33014	25.7
437.34167	49.7
455.25253	79.7
455.35156	100.0
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	Glycyrrhetaldehyde
Peak:m/z	Relative Intensity
52.79562	1.2
55.05523	2.7
60.85257	1.4
64.16426	1.5
67.05504	17.3
67.65712	1.2
69.07066	13.4
71.05005	2.2
79.05502	2.2
81.07071	21.6
82.72319	1.3
83.08615	2.8
85.06532	1.9
86.09787	1.6
91.05492	6.0
92.21476	1.8
93.07047	14.0
95.08603	34.7
97.06549	3.2
99.08086	6.6
105.07037	20.3
107.08595	33.3
107.09279	2.6
109.10152	78.7
117.07040	3.2
118.49271	1.4
119.08575	28.3
121.06474	1.6
121.10132	19.9
123.08094	1.7
123.11701	9.6
125.09639	3.1
131.08554	11.1
133.10112	27.9
135.08031	3.4
135.11659	14.5
137.09677	1.4
137.13373	1.6
143.08574	3.7
145.10120	24.8
147.11682	30.5
149.09605	3.1
149.13275	14.0
157.10147	10.3
159.11676	19.1
161.09615	3.2
161.13184	21.6
163.11150	3.1
163.14880	2.2
169.10106	3.1
171.11702	10.0
173.13229	19.0
175.11143	3.1
175.14835	15.0
177.12791	2.8
183.11684	2.8
185.13245	10.0
187.14824	19.1
189.12653	1.7
189.16393	10.6
191.14261	3.7
197.13287	3.0
199.14815	16.4
201.16348	18.5
203.17921	3.4
205.15854	3.1
207.17427	2.1
209.13257	2.1
211.14772	6.5
213.16345	12.5
215.17984	7.4
217.15933	11.4
219.17430	2.9
223.14847	1.6
225.16425	3.2
227.17908	3.7
229.15909	2.4
231.17365	11.5
235.16866	5.7
237.16487	1.7
239.17899	3.2
241.19496	3.6
245.18932	2.1
253.19553	2.8
267.21121	1.5
280.34048	1.5
309.22061	1.6
379.29956	2.6
397.30872	1.9
401.32074	3.1
419.33127	29.9
432.13895	1.8
437.34134	61.9
455.35156	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3519
Annotation	Glycyrrhetaldehyde
Peak:m/z	Relative Intensity
51.87903	1.6
55.00929	1.9
55.05520	5.1
57.07057	1.9
59.04987	2.1
67.05518	16.4
69.07074	21.8
71.04992	13.6
75.16861	2.1
79.05496	2.5
81.07061	22.5
83.08622	4.2
85.06496	2.1
89.18266	2.0
91.05431	2.5
93.07046	14.2
95.08602	34.0
97.10157	3.2
99.08070	2.9
105.07038	11.6
107.08614	23.9
109.06506	2.8
109.10155	60.6
111.08053	3.1
111.11668	2.1
117.07056	3.8
119.08577	22.7
121.10137	26.6
123.08048	3.8
123.11749	15.7
123.12458	2.1
127.11186	24.1
129.06909	2.4
131.08545	12.3
133.10132	10.9
135.08096	3.1
135.11696	15.1
137.09656	2.7
137.13225	2.8
141.12755	3.7
143.08551	4.5
145.10135	18.4
147.11720	15.1
149.09517	2.1
149.13263	9.7
157.10115	12.3
159.11722	18.8
161.13254	11.3
163.14786	10.9
163.97000	2.5
169.10085	3.4
171.11711	13.1
173.13251	14.1
175.14812	4.1
177.12779	2.5
181.10214	2.9
183.11687	11.3
185.13214	8.9
186.42340	2.4
187.14751	5.0
187.28462	2.3
189.16348	4.1
195.11665	2.5
197.13231	4.8
199.14738	3.5
201.12706	4.0
201.16469	3.9
203.17870	2.2
211.14761	2.5
213.16434	2.9
215.14421	4.5
215.17897	3.3
217.15837	2.5
217.19370	2.6
223.14909	3.3
225.16321	8.1
227.18004	3.8
229.15840	3.2
237.16342	3.2
241.19824	3.1
243.17636	3.9
265.19394	4.7
279.21014	2.6
281.22818	2.7
283.20676	2.8
297.22269	3.7
309.22339	2.6
316.03387	2.2
383.29486	3.4
409.35031	2.8
415.05267	2.2
419.32782	16.5
437.34149	58.7
455.29272	3.5
455.35263	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	455.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36221	2.9
55.05515	28.1
57.07071	5.4
58.32620	3.2
67.05509	6.9
69.07079	46.2
71.08601	5.2
72.04505	6.5
77.16216	3.6
79.05492	6.5
81.07069	19.7
82.90366	4.7
83.08624	21.6
93.07034	20.0
95.08610	47.3
97.10170	17.0
97.35480	4.0
105.07032	18.3
107.04943	4.0
107.08600	43.3
109.10152	24.8
111.11671	6.1
119.08588	7.6
121.06490	6.4
121.10141	31.5
123.08093	4.8
123.11719	16.5
125.05936	4.2
131.08586	5.4
133.10139	16.7
135.08006	5.9
135.11720	16.8
137.13287	6.3
145.10139	8.4
147.11687	8.3
149.13275	5.2
159.08061	8.6
159.11655	10.0
161.09573	5.0
163.11180	4.9
173.13289	7.5
175.11171	9.4
187.11203	4.8
187.14809	6.2
189.12724	5.5
197.11618	5.4
199.11108	5.8
201.12775	8.6
211.14827	6.4
213.12753	4.9
215.14296	6.3
223.14830	4.6
229.15921	6.3
229.35513	4.7
240.23212	80.0
339.23288	4.5
345.24167	8.7
353.24710	5.8
437.34158	25.1
455.35300	100.0
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	Glycyrrhetaldehyde
Peak:m/z	Relative Intensity
54.40372	1.6
55.05521	3.4
57.07067	2.5
67.05508	21.0
68.50047	1.6
69.07068	18.1
71.04995	3.7
77.12878	1.6
79.05497	3.7
80.23837	1.6
81.07065	31.0
83.08615	7.8
85.61479	1.9
93.07029	17.7
95.08617	23.9
97.06529	3.5
97.10149	2.4
99.08093	10.5
105.07043	8.1
107.08594	28.1
109.10164	56.0
111.08075	2.3
119.08587	23.1
121.10143	16.5
123.08051	2.0
123.11725	8.4
125.09606	2.2
127.11196	10.5
131.08583	2.7
133.10098	14.9
135.08066	3.6
135.11723	16.1
143.08566	2.4
145.10123	11.8
147.11687	10.2
149.09628	2.7
149.13225	14.9
151.11313	1.7
157.10078	9.1
159.11658	13.2
161.09596	2.3
161.13254	9.6
163.14827	3.0
169.10158	4.4
171.11703	11.7
173.09683	2.3
173.13252	10.1
175.11206	2.7
175.14796	18.2
183.11687	7.3
185.13261	8.6
187.14766	4.0
189.12737	2.9
189.16362	2.7
197.13216	6.4
199.14867	6.9
201.12779	4.0
201.16441	3.0
209.13286	2.2
211.14838	4.2
213.16330	2.3
215.14398	3.1
223.14946	2.9
225.16293	3.8
227.17952	7.8
228.18681	2.3
229.15952	3.0
229.19456	2.7
237.16240	2.7
239.18044	3.0
241.15720	3.4
241.19530	2.7
243.17433	9.5
251.18059	2.5
253.19485	4.0
265.19278	2.4
269.18942	2.3
277.19583	2.3
279.21002	2.2
283.20645	6.3
287.20117	2.8
287.23364	2.0
289.21609	1.9
297.22156	2.2
311.23611	1.8
357.27878	20.4
381.27341	2.0
419.32922	22.5
437.34100	55.0
455.35114	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3517
Annotation	Glycyrrhetaldehyde
Peak:m/z	Relative Intensity
50.73859	1.5
53.37519	1.4
53.97337	1.5
55.05519	3.8
61.04299	1.6
61.72394	2.0
67.05512	19.0
69.07072	18.8
71.04983	2.0
79.05489	2.7
81.07059	49.5
83.04980	9.2
83.08620	4.6
85.05235	1.7
85.06572	2.5
85.35336	1.8
90.75137	2.0
92.29732	1.7
93.07050	13.1
95.08610	29.7
97.10133	3.1
99.08086	17.9
100.17207	1.6
105.07016	12.4
107.08605	21.2
109.06536	3.2
109.10160	67.0
110.22450	1.7
111.08127	3.8
119.08596	21.0
121.10169	20.0
123.08080	3.0
123.11678	8.6
125.09637	3.5
131.08575	9.1
133.10129	15.4
135.08078	2.8
135.11700	17.0
137.09688	2.3
143.08626	3.2
145.10088	16.4
147.11693	14.8
149.09619	3.4
149.13292	8.8
157.10139	12.1
159.11668	16.8
161.09650	3.7
161.13318	8.3
163.11206	3.3
163.14812	2.4
169.10104	4.2
171.11720	14.1
172.73540	1.8
173.13278	14.1
175.11208	2.6
175.14833	12.6
183.11731	9.1
185.13280	11.8
187.11125	2.7
187.14845	7.2
189.16457	3.9
195.11676	2.3
197.13277	4.0
199.14833	8.6
200.06749	2.1
209.13181	2.3
211.14876	7.2
213.16431	7.6
215.14330	2.2
223.14853	3.9
225.16386	7.5
227.17961	11.4
231.17282	2.0
239.18106	3.1
241.19553	4.2
243.17569	2.6
243.21082	2.3
245.19046	6.3
253.19637	2.7
255.21156	2.2
267.54349	1.9
269.19058	7.8
271.20676	3.7
279.20975	2.7
287.20172	8.4
289.21576	2.5
297.22202	3.7
297.72589	2.0
302.08783	2.1
311.23651	2.6
339.26794	7.5
339.95743	2.0
393.31305	2.2
419.32999	18.8
437.34164	49.3
455.35175	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3519
Annotation	Glycyrrhetaldehyde
Peak:m/z	Relative Intensity
55.05520	6.1
57.07068	2.4
58.26751	2.4
59.05000	3.0
62.91497	2.7
62.98495	2.7
67.05507	19.0
69.07076	14.7
71.05003	3.5
79.05489	3.5
81.07056	35.9
83.08623	5.1
87.40336	3.0
91.05479	11.5
93.07045	23.1
95.08613	46.3
105.07034	16.4
107.08602	37.3
109.10173	85.0
111.08068	3.1
118.62634	2.6
119.08575	30.1
121.10156	28.0
123.11708	15.7
124.76929	3.1
125.09619	6.4
127.11188	4.5
129.93210	3.7
131.08600	6.1
133.10126	23.6
135.11676	21.0
137.13234	3.7
145.10129	22.1
147.11684	21.1
148.66122	3.0
149.09621	3.5
149.13336	4.0
157.10139	13.8
159.11636	21.8
161.09685	2.9
161.13254	16.9
169.10185	5.3
171.11688	16.7
173.13216	20.3
175.14856	10.8
183.11736	11.0
185.13301	13.5
187.14838	4.0
189.16304	3.8
197.13199	7.2
199.14874	4.3
201.16435	11.7
203.18057	5.5
211.14806	4.8
213.16455	15.7
223.14960	4.1
225.16405	4.4
227.17896	5.9
237.16345	5.6
262.14523	3.2
283.12421	9.9
419.33029	19.3
429.79593	3.0
437.34146	60.6
455.35223	100.0
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	Glycyrrhetaldehyde
Peak:m/z	Relative Intensity
51.57766	1.0
55.05522	3.4
67.05515	14.5
69.07078	11.8
69.39890	1.3
70.06586	2.8
74.22201	1.1
78.04656	1.3
79.05505	2.2
81.07059	23.0
83.05005	1.8
83.08614	2.3
86.09711	5.1
91.05499	6.0
93.07040	11.3
95.08599	26.2
97.06579	2.1
99.08108	3.4
105.07026	13.2
105.56329	1.3
107.08602	19.9
109.10155	45.7
117.06999	1.6
119.08582	19.1
120.90195	1.2
121.06502	1.9
121.10159	18.8
123.08120	1.7
123.11716	8.3
123.86546	1.3
125.09615	1.8
131.08585	7.4
133.06482	1.8
133.10150	20.3
135.08098	5.1
135.11674	9.6
137.09712	1.6
139.11197	1.6
143.08578	5.9
145.10141	19.5
147.11707	22.7
149.13260	8.8
157.10123	9.6
159.11699	19.6
161.09616	3.1
161.13239	12.6
163.11197	2.0
163.14851	1.7
169.10165	2.8
171.11688	11.3
173.13283	13.2
175.11234	1.8
175.14865	11.4
177.12746	2.0
183.11650	5.2
185.13237	10.3
187.14854	11.4
189.12790	2.3
189.16370	7.8
191.14433	2.4
195.11620	1.5
197.13257	3.1
197.61887	1.5
199.14848	10.9
201.16423	7.8
203.14447	1.8
203.17938	1.9
205.15924	5.3
209.13261	2.5
211.14864	5.5
213.16414	7.4
215.14458	1.4
215.17986	5.7
217.15929	11.8
219.17451	2.9
222.54291	1.5
223.14912	1.8
225.16414	5.5
227.17917	4.9
229.15884	1.9
231.17447	7.5
235.16957	5.9
237.16397	3.1
239.17958	2.9
241.19492	1.8
243.17419	2.1
245.19023	1.9
253.19405	2.6
255.17311	1.6
265.19489	2.6
271.20605	2.5
279.20969	1.6
297.22134	1.8
329.24939	1.5
419.33093	22.2
437.34125	47.8
455.19061	17.5
455.35190	100.0
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	Unknow
Peak:m/z	Relative Intensity
53.86349	2.6
55.05517	3.5
55.87209	2.5
56.51255	2.2
57.07074	3.4
67.05505	16.4
69.07072	7.3
70.71477	2.8
76.86666	2.6
79.05453	3.5
79.80306	2.5
81.07063	23.3
83.04964	3.5
90.22049	2.8
92.20968	5.9
93.01773	3.1
93.07047	6.0
95.08643	23.9
99.08092	7.0
105.07046	13.9
107.08616	16.6
107.63489	2.9
109.06535	3.3
109.10168	60.3
111.08030	2.9
119.08590	21.6
121.06566	3.3
121.10136	23.1
123.11726	3.9
125.09643	4.3
131.08656	3.8
133.10107	22.7
135.08099	5.0
135.11676	10.9
143.08580	3.9
145.10132	15.0
147.11703	14.7
149.13271	4.2
157.10138	4.6
159.11684	14.6
161.09604	6.2
161.13197	10.4
169.10080	3.1
171.11678	4.8
173.13286	7.1
175.11079	3.2
175.14798	11.8
185.13231	3.7
187.14832	18.7
189.16405	11.8
199.14807	6.8
201.16354	6.4
213.16467	10.3
217.15845	14.3
268.26343	17.1
382.43500	3.6
419.32953	20.3
437.34137	48.3
455.35220	100.0
459.68109	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	455.36
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.4
57.07091	4.7
63.42543	0.5
67.05506	7.2
69.07076	3.1
71.05007	1.0
71.08643	4.6
79.05493	2.6
81.06628	0.6
81.07072	12.8
83.05008	0.8
83.08623	2.5
83.87187	0.6
85.06564	1.4
85.70695	0.6
86.06073	1.6
87.04462	2.6
88.70086	0.7
92.21293	1.2
93.01175	0.7
93.07042	5.1
95.08607	13.0
97.10187	1.2
98.06098	0.7
99.08090	1.0
104.07101	1.5
105.07045	1.5
107.08614	7.1
109.10170	8.3
111.08054	1.0
119.08579	1.6
121.10123	5.8
123.08061	1.4
123.11733	5.0
131.08556	3.0
133.10164	3.1
135.08069	0.8
135.11703	5.2
137.09680	0.7
137.13306	1.0
139.07582	1.6
140.10727	13.0
141.12749	11.7
142.15878	0.8
143.08572	0.8
145.10152	4.4
146.09253	24.4
147.11705	2.5
149.09641	3.3
149.13281	3.2
151.11234	0.7
151.14972	0.6
151.81808	0.7
157.13364	17.3
159.11705	3.2
163.11188	2.9
163.14775	1.4
173.13304	0.9
177.12810	1.0
177.16364	3.6
182.15402	2.7
183.17433	3.3
187.14854	1.4
201.16501	0.7
214.18027	1.0
219.21111	2.9
233.22711	0.8
241.15909	0.9
243.21094	4.0
254.81398	0.8
260.23785	1.0
261.22147	9.8
270.21689	1.2
278.24829	10.6
285.19086	4.6
293.24881	1.0
310.27411	36.8
336.22232	2.6
354.23108	14.0
372.24274	2.9
377.24356	0.9
395.25650	1.0
414.25235	11.4
423.33511	5.3
437.34167	3.5
455.35883	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98994	1.4
57.03443	6.5
61.02911	1.9
67.98930	1.5
69.03435	21.7
69.34598	1.5
70.06589	12.5
72.08150	2.9
81.03409	3.1
81.46630	1.4
84.08137	2.9
84.81690	1.7
85.02896	24.3
86.09711	12.4
87.04472	16.3
91.99668	1.6
97.02895	19.8
97.63712	1.6
115.03938	12.8
127.03944	3.5
129.10278	1.9
130.06587	3.3
133.04955	7.9
136.06198	1.7
143.07312	6.4
144.08078	60.7
145.04912	2.2
151.72072	1.7
152.05656	2.6
153.35619	1.8
155.08165	2.4
156.08087	10.0
157.08827	2.1
158.09642	56.6
160.07559	3.5
162.09116	30.7
168.08084	10.1
174.09143	10.1
182.09641	3.8
184.07555	19.1
186.09126	100.0
198.09148	2.2
204.10184	94.4
216.10199	2.9
228.10240	7.2
230.11777	2.2
240.10133	6.3
258.11160	2.6
276.12271	22.5
288.12241	8.5
294.13345	36.3
306.13281	18.6
324.14410	6.5
336.13821	2.0
348.14313	2.4
366.15143	2.5
438.17578	7.3
456.18240	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	456.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.09441	0.9
66.96490	0.8
68.22324	1.0
69.12966	1.0
70.06596	6.8
72.08141	1.7
83.08626	2.2
84.08139	1.2
85.02908	1.7
86.09710	26.7
97.02886	1.2
108.68494	1.0
109.10133	1.3
111.08131	1.0
114.00239	1.1
118.06519	1.5
119.07323	68.4
120.08125	5.2
126.69299	1.3
127.03929	1.5
127.11199	9.0
129.10289	1.9
130.06528	1.7
134.06020	9.1
135.06816	4.4
145.12187	1.2
150.05542	4.2
175.09659	2.1
176.07033	8.4
209.23050	1.2
213.11192	1.6
231.12221	4.4
235.07544	2.1
237.09131	4.8
240.10220	1.8
241.08946	1.3
252.10199	30.0
254.11723	48.2
256.09613	10.9
269.12833	84.5
270.11264	4.1
280.09689	7.1
298.10687	17.9
301.11743	1.2
315.13385	100.0
322.17960	5.1
337.19064	5.8
338.17651	1.4
377.41281	1.0
382.21530	1.5
383.19852	9.3
393.18173	2.4
411.19220	6.6
412.81689	1.1
428.21793	19.6
439.18616	12.8
456.21289	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	456.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42803	1.5
55.05527	2.1
57.03451	14.7
57.03681	1.8
59.04998	3.6
61.02922	2.2
66.62154	1.9
69.03435	77.0
73.02914	1.8
75.04473	2.3
75.36221	2.0
79.79646	2.0
81.07061	5.2
83.08643	2.2
85.02909	100.0
87.04471	75.0
91.03931	3.6
92.97604	1.8
93.07021	5.2
95.08602	8.5
97.02892	80.6
97.03481	4.2
99.04447	2.8
102.02290	2.2
105.07034	3.3
109.02880	3.9
109.10151	10.9
115.03936	90.2
119.08568	4.4
127.03912	17.4
131.08611	2.5
133.04968	75.1
133.10144	2.6
135.11658	3.1
137.01462	2.5
145.04968	26.1
145.10139	3.9
150.07597	10.3
159.11678	4.7
163.06029	10.9
173.13245	2.5
186.13556	2.3
195.74338	2.1
259.08121	9.4
295.10211	8.5
336.12479	2.9
373.23364	2.2
438.34460	9.4
456.35516	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	456.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42803	1.5
55.05527	2.1
57.03451	14.7
57.03681	1.8
59.04998	3.6
61.02922	2.2
66.62154	1.9
69.03435	77.0
73.02914	1.8
75.04473	2.3
75.36221	2.0
79.79646	2.0
81.07061	5.2
83.08643	2.2
85.02909	100.0
87.04471	75.0
91.03931	3.6
92.97604	1.8
93.07021	5.2
95.08602	8.5
97.02892	80.6
97.03481	4.2
99.04447	2.8
102.02290	2.2
105.07034	3.3
109.02880	3.9
109.10151	10.9
115.03936	90.2
119.08568	4.4
127.03912	17.4
131.08611	2.5
133.04968	75.1
133.10144	2.6
135.11658	3.1
137.01462	2.5
145.04968	26.1
145.10139	3.9
150.07597	10.3
159.11678	4.7
163.06029	10.9
173.13245	2.5
186.13556	2.3
195.74338	2.1
259.08121	9.4
295.10211	8.5
336.12479	2.9
373.23364	2.2
438.34460	9.4
456.35516	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	456.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42197	0.6
53.31418	0.6
55.05509	1.8
57.03434	1.0
57.07071	4.5
57.60049	0.7
59.05010	0.8
66.37939	0.8
67.05510	12.9
69.06732	0.7
69.07078	5.5
71.05013	1.2
71.08625	5.9
79.05515	1.6
81.07059	18.0
83.08625	3.9
85.06535	1.8
86.06066	1.1
87.04457	3.9
91.05467	0.9
93.07034	3.3
95.08604	24.4
97.10183	3.4
107.08605	4.8
109.10178	11.3
119.08615	1.8
120.67743	0.9
121.10153	9.9
123.08072	4.1
123.11737	5.6
128.08211	1.1
131.08589	1.1
133.10127	1.5
135.11684	4.6
137.13246	1.2
139.11232	1.2
140.10698	8.3
141.12726	10.2
141.51027	0.8
145.10146	1.0
146.09242	43.2
146.10361	1.6
147.11740	0.9
149.09663	3.8
149.13254	1.3
151.14825	1.9
158.11748	26.4
159.11694	1.6
163.11223	1.0
165.10059	0.8
167.10637	1.1
169.15907	5.5
177.12683	0.9
183.13820	4.9
183.17438	18.5
195.13719	0.8
251.23715	3.8
261.22220	3.3
279.23276	4.9
286.17618	4.0
296.25888	1.3
311.25818	36.5
311.29224	1.7
369.15356	0.9
424.31723	4.9
456.34348	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0744
Annotation	Epigallocatechin Gallate
Peak:m/z	Relative Intensity
56.06371	1.0
56.14664	1.0
64.53294	0.9
70.06601	4.5
84.08125	1.3
86.09709	2.0
107.72195	1.1
127.08640	1.7
148.92278	1.1
188.07004	1.9
212.41103	1.1
413.08536	2.5
457.07401	100.0
465.64825	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	457.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	1.0
56.96560	1.0
58.44419	0.9
64.70845	1.0
69.21140	0.9
70.06592	4.2
74.88936	1.0
78.69255	1.0
81.03441	1.1
85.02914	1.7
86.09705	7.5
95.05002	1.3
97.02872	1.6
98.97581	7.7
109.02837	1.3
112.99107	1.2
116.07079	1.7
116.98615	6.2
120.08125	2.3
127.03912	1.9
133.02831	2.2
134.99586	1.2
137.06053	1.1
158.99643	8.7
170.99663	1.3
173.01297	5.7
177.00717	6.1
177.07365	2.3
191.02388	2.6
201.00737	1.5
209.08472	1.8
211.10138	1.3
219.01811	8.1
227.09642	2.3
237.02896	8.5
251.09578	3.9
253.11162	2.6
281.04022	1.0
281.07657	1.0
303.01208	7.3
339.73178	1.2
371.13821	6.6
376.31207	1.2
413.14716	17.7
457.14709	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.3
55.05502	1.6
57.03447	0.5
57.07080	0.4
62.92636	0.4
67.05504	2.0
69.03429	5.6
69.07066	2.1
79.05498	3.2
81.03400	0.6
81.07069	6.9
83.04972	2.3
83.08604	0.6
83.32951	0.4
85.02906	3.6
87.00819	0.8
91.05471	2.4
92.21178	0.5
93.07034	1.6
95.04976	0.6
95.08603	1.8
97.02888	1.6
98.98465	2.0
103.33257	0.4
105.01891	0.7
105.07007	2.9
107.04957	2.8
107.08600	18.3
109.02870	1.7
109.06518	3.6
109.10158	4.2
119.08558	3.1
121.06478	0.6
121.10137	9.4
122.07288	1.6
123.08087	0.4
123.11706	2.2
127.03957	2.9
131.08565	2.2
133.10133	100.0
135.08058	10.4
135.11693	1.6
137.09622	62.9
145.10086	0.8
147.11697	5.5
149.09637	1.9
149.13263	11.7
150.32562	0.5
155.01047	0.5
163.14804	2.7
165.12744	0.8
173.13243	7.2
191.14305	56.3
209.15367	5.6
231.05003	0.7
267.15881	2.1
283.58072	0.5
285.17026	5.3
308.34570	0.4
421.18164	2.2
439.19455	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	457.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44814	0.4
53.03946	0.6
55.05513	1.0
66.29089	0.5
67.05502	0.8
69.03425	4.6
69.07077	1.9
76.55701	0.5
79.05491	2.0
81.03433	0.6
81.07067	4.0
83.04939	0.7
83.08601	0.8
85.02905	2.4
86.09702	2.7
87.00858	0.9
91.05483	0.6
93.07047	1.9
93.10290	0.5
95.04945	0.6
95.08596	0.9
97.02884	0.9
105.01791	0.7
105.07039	1.2
107.04951	3.9
107.08593	15.7
109.02884	1.3
109.06532	4.2
109.10155	5.2
119.08560	1.2
121.06518	0.7
121.10153	8.3
122.07264	0.8
123.08075	0.7
127.03913	2.0
131.08575	1.1
133.10132	100.0
135.08060	10.7
135.11676	0.9
137.09621	62.4
142.40562	0.6
145.10168	0.7
147.11711	1.2
149.09581	1.3
149.13252	12.2
158.10901	0.6
163.14787	1.2
173.13243	5.7
182.18459	0.6
191.14304	60.1
209.15382	11.5
231.04918	0.6
256.86105	0.6
275.79733	0.5
292.51874	0.5
403.17542	0.7
409.02435	0.5
421.18594	2.3
436.50000	0.6
439.19443	1.0
457.31390	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	457.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	3.1
53.97536	1.8
55.01872	2.7
55.05518	9.3
57.03437	3.7
57.07071	4.9
61.02920	4.1
67.05509	2.6
69.03431	24.9
69.07065	10.4
70.06579	2.1
71.04986	11.3
72.05747	2.0
73.00600	1.7
73.02882	2.9
78.44096	1.8
79.05498	3.5
79.90743	1.7
81.03429	30.9
81.07056	28.0
83.04986	12.4
83.08632	17.8
83.88479	1.8
85.02912	50.6
85.06548	2.5
86.09711	3.7
87.00848	17.8
90.01619	2.3
91.05489	3.0
92.22934	2.1
93.07058	14.7
95.04966	100.0
95.08630	12.6
97.02908	15.1
97.06505	8.6
99.04453	35.2
105.01868	11.7
105.07005	4.2
107.08609	15.0
109.02898	28.3
109.06515	19.0
109.10169	16.9
111.04413	3.6
111.08084	9.7
119.08577	10.1
121.06485	4.5
121.10130	17.1
123.04457	3.0
123.08083	16.3
123.11703	9.1
125.06028	3.8
125.09592	2.8
127.03914	48.3
129.01837	4.1
131.08577	8.6
132.97365	2.2
133.10127	27.9
135.08058	24.7
135.11742	2.3
139.11162	12.0
145.04953	8.9
147.02872	3.2
147.08058	3.8
147.11699	10.6
149.06004	4.5
149.09621	2.7
149.13304	15.7
151.07538	13.6
151.11185	5.1
153.09102	39.9
159.02861	15.3
159.07985	2.1
161.09714	2.2
163.07533	4.1
167.11266	1.9
167.14278	14.8
173.13210	15.2
177.09312	2.2
181.12325	2.9
189.04008	2.9
189.12810	3.6
191.14299	26.4
201.12566	3.6
207.13564	2.4
209.15375	80.2
224.35519	2.1
231.04973	9.2
233.15309	2.4
273.47098	2.0
294.93018	2.1
335.18518	2.3
421.18570	8.9
439.19653	18.1
457.14896	3.4
457.21048	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	457.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
54.76461	1.3
57.03442	1.7
57.07085	2.1
58.10121	1.6
60.63972	1.2
60.96732	1.3
62.32333	1.1
67.05497	3.3
67.90600	1.2
69.03441	21.8
69.07078	1.7
70.06604	18.7
71.04992	3.0
72.08169	2.6
81.03424	13.1
81.07062	3.6
83.04995	3.6
85.02912	14.4
85.06542	3.1
86.09669	5.8
87.00839	3.0
87.04482	1.8
93.07067	3.2
95.04975	2.8
95.08603	6.9
97.02892	12.6
97.06515	3.0
99.04451	6.6
105.01898	2.5
105.07060	1.4
107.08604	11.9
109.02879	14.2
109.06536	14.4
109.10168	7.8
111.08087	7.3
115.16169	1.5
119.08634	2.3
120.08057	1.8
121.10143	9.4
123.08056	2.9
125.09631	34.1
127.03930	17.4
127.11204	2.6
131.08568	7.7
133.10130	17.4
135.08032	16.4
135.11696	2.9
145.04944	2.2
145.10112	3.4
145.12241	3.0
146.12578	2.7
147.11684	2.8
149.09581	10.9
149.13237	6.1
151.11057	2.2
153.09131	7.3
158.10860	2.7
163.11188	2.3
163.14835	6.6
167.10663	7.8
173.13257	36.4
183.14964	2.5
191.14305	100.0
209.15369	86.9
231.04961	3.1
261.49792	1.5
300.26678	1.5
341.11819	1.5
439.19803	3.3
457.20844	51.6
457.26489	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	457.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	3.4
59.50598	1.4
67.05502	4.7
69.03421	2.6
69.07072	12.9
71.04992	16.9
72.96925	1.8
81.07072	22.6
83.08631	9.4
85.67982	1.8
88.99069	1.6
91.05465	3.0
93.07030	17.1
95.04975	2.1
95.08617	41.9
97.06544	3.5
97.10193	8.2
99.08107	3.5
99.76547	1.6
105.07036	12.7
107.08594	39.2
109.10156	56.3
119.08569	24.3
120.08893	2.1
121.06557	2.8
121.10115	28.3
123.08061	2.5
123.11700	33.3
125.09639	3.9
127.11190	22.9
131.08589	9.1
133.10110	20.6
134.18922	1.8
135.08067	2.8
135.11711	25.6
137.13275	7.4
141.12767	8.2
143.08566	4.1
143.10701	3.5
143.14980	2.2
145.10071	18.6
147.11699	22.0
149.13235	16.4
151.11169	3.6
151.14955	2.0
153.12720	2.8
157.10136	9.8
159.11711	17.6
161.13277	16.8
163.11238	2.3
163.14796	3.0
165.12836	2.4
169.10199	3.0
170.08142	1.9
171.11638	13.0
173.13281	16.9
175.14865	8.2
177.12897	2.5
177.16344	2.7
183.11731	2.9
185.13239	18.9
187.14809	14.9
189.12854	2.0
189.16428	12.2
191.14258	3.9
197.13289	3.8
199.14861	10.3
201.16383	16.1
202.01187	1.9
203.14294	3.2
203.17964	7.7
211.14954	7.3
213.16415	10.2
215.17899	3.7
217.15903	3.8
217.19545	2.9
221.19037	2.1
223.14767	3.0
225.16316	7.7
227.17993	7.2
229.19603	4.3
239.17955	3.7
245.18948	7.6
253.19478	3.5
267.21085	2.6
272.08292	1.9
279.21185	2.2
281.22635	2.5
299.23935	4.0
313.25253	2.7
370.52786	1.9
403.33459	2.2
421.34583	43.0
439.35651	75.3
457.20551	2.5
457.36734	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3673
Annotation	Hypocrellol A
Peak:m/z	Relative Intensity
51.10588	3.1
54.46245	2.9
55.05516	7.0
55.29975	3.9
63.05211	3.7
65.52083	3.9
67.05500	18.5
68.24285	4.0
69.07072	21.0
71.04993	22.4
71.23973	3.4
81.07055	34.9
83.08599	8.2
87.69118	3.5
93.07064	27.8
94.38642	3.3
95.08601	69.8
97.06513	5.9
97.10172	4.8
105.07007	17.5
106.30878	3.7
107.08595	46.1
109.10162	73.2
119.08573	39.8
121.10140	50.2
123.11699	52.7
125.09615	5.6
127.11192	42.3
131.08582	7.6
133.10126	29.5
135.11702	32.3
137.13312	5.4
141.12721	15.9
143.08546	15.9
145.09103	3.9
145.10083	27.5
147.11655	34.4
147.80679	4.1
149.13264	19.7
150.06514	4.0
151.11191	6.9
157.10121	19.0
159.11665	26.1
161.13200	33.3
163.14777	6.0
171.11674	26.2
173.13261	21.2
175.14850	15.1
183.11774	7.1
184.50438	3.7
185.13271	31.3
187.14841	27.8
189.16437	8.6
191.18024	4.2
196.12560	5.1
197.13289	5.5
199.14796	15.6
201.16359	16.2
203.14272	4.6
213.16328	14.8
215.17813	4.1
217.15770	4.2
227.17928	20.3
239.17949	8.3
253.19440	9.2
255.21199	4.6
267.20929	5.3
293.22519	4.7
295.24139	4.6
421.34616	53.6
439.35715	100.0
457.36658	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	457.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87632	1.2
55.05513	3.1
57.07064	2.8
59.04998	2.6
67.05502	4.0
69.07072	13.1
71.04984	9.8
76.50955	1.7
79.05491	2.8
81.07067	19.4
83.08620	6.7
85.02913	2.1
91.05501	3.1
93.07050	11.2
95.08608	32.9
97.06516	10.1
97.10166	9.0
99.08061	2.3
105.07008	13.7
107.08588	33.0
109.10150	35.9
111.08064	2.0
114.09132	2.2
119.08572	25.1
121.10123	31.4
123.11712	22.8
125.09593	9.0
127.11171	15.3
131.08556	3.9
133.10101	19.7
133.46703	2.0
135.11694	26.1
137.13219	2.9
141.12714	4.3
143.08565	2.7
143.10661	12.6
145.10100	14.4
147.11681	22.0
149.09651	2.6
149.13271	12.2
151.11186	2.3
157.10167	2.6
159.11671	16.5
161.13239	24.6
163.11093	3.1
163.14796	7.8
169.10062	1.9
171.11700	9.4
173.11923	1.8
173.13174	14.6
175.14796	14.7
177.16382	11.2
183.11763	2.3
185.13240	7.6
187.14795	17.0
189.16374	9.9
191.14215	3.3
191.17938	3.8
199.14793	3.9
201.16399	12.8
203.14304	1.9
203.17943	10.8
211.14804	2.4
215.18010	7.3
219.17349	4.3
227.17996	3.7
239.17876	3.3
243.21024	2.7
245.19121	4.3
263.20242	2.0
267.20956	3.0
313.25198	2.4
320.09192	15.1
371.03055	2.0
381.31534	2.4
421.34659	22.7
439.35718	59.0
457.20175	7.7
457.27277	4.3
457.36731	100.0
464.74997	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	457.3675
Annotation	alpha-Elemolic acid
Peak:m/z	Relative Intensity
55.05516	2.3
57.07066	2.8
63.68641	1.9
67.05516	4.3
69.07067	10.1
71.04988	18.7
81.07065	23.0
83.08624	5.7
93.07042	10.5
95.08605	36.2
105.07035	15.4
107.08606	30.1
109.10159	51.5
117.07014	4.1
119.08558	24.2
121.10123	27.5
123.11702	37.7
125.09612	5.2
127.11195	40.9
129.06973	4.2
130.41249	2.5
131.08577	14.0
133.10132	18.9
135.11697	23.2
137.13225	11.6
141.12735	12.4
143.08562	5.4
143.10712	3.7
145.10098	18.9
147.11659	18.0
149.13254	15.9
157.10103	14.5
159.11684	14.7
161.13242	15.6
163.14790	5.6
169.10170	3.3
171.11694	19.7
173.13257	17.0
175.14812	11.1
177.16376	3.6
183.11655	3.8
185.13240	24.7
187.14769	20.9
189.16423	10.4
197.13362	4.7
199.14810	13.8
201.16376	14.3
203.14384	2.8
211.14786	9.0
213.16451	16.8
215.18036	2.5
216.70403	2.6
217.15938	2.9
225.16266	4.6
227.17914	5.1
229.19382	4.0
236.62369	2.7
239.17955	9.2
245.18959	4.1
253.19595	11.6
267.21185	3.1
281.22714	4.2
285.22333	2.4
294.23602	2.7
295.24356	2.4
299.23560	4.1
313.25284	3.0
317.24692	2.8
421.34592	54.3
439.35751	100.0
457.36719	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	457.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08768	7.6
59.65182	7.7
67.05524	10.6
69.07079	10.2
69.96117	6.0
69.98380	6.6
81.07059	29.5
91.05412	8.3
93.07065	38.2
94.54122	6.3
95.08605	45.7
99.36803	7.2
105.07024	28.8
107.08618	52.5
109.10159	38.7
119.08581	34.5
121.10142	44.1
133.10162	43.3
135.11687	11.6
145.10124	29.1
147.11676	33.2
149.13216	11.1
152.16307	7.8
155.39586	8.6
173.13251	14.8
175.14745	8.6
181.97336	6.9
201.16499	11.3
213.16423	8.1
215.17953	11.2
225.66867	9.4
439.35358	32.9
439.41592	8.1
457.27713	41.2
457.36490	100.0
470.27969	7.7
472.04562	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	457.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07088	3.4
72.14423	1.9
78.63485	2.1
79.05513	3.5
80.62425	2.0
81.07050	11.8
93.07056	4.8
95.08603	25.9
105.07027	9.4
107.08604	20.3
109.10163	15.2
119.08566	18.1
121.10167	25.8
123.11684	4.6
125.09641	5.2
130.02112	2.0
133.10118	16.9
135.11713	16.8
145.10133	5.5
147.11697	13.4
149.13257	10.6
159.11687	18.7
161.13245	15.7
163.11130	2.3
163.14888	4.7
163.55830	2.3
173.13243	11.9
175.14812	13.7
177.16354	3.3
179.80917	3.0
187.14793	8.6
187.65717	2.9
189.16364	16.5
199.14827	2.9
201.16414	13.1
203.17976	9.9
205.15782	2.9
215.17958	11.1
219.17500	4.3
229.19481	4.5
421.34500	16.6
439.35458	5.2
457.27676	8.8
457.36758	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3676
Annotation	alpha-Elemolic acid
Peak:m/z	Relative Intensity
53.73795	1.4
54.09757	1.9
55.05509	3.0
57.07081	3.7
59.04981	1.9
67.05512	9.8
69.07064	12.1
71.04998	25.1
79.05497	3.2
81.07076	26.1
83.08599	4.0
91.05492	3.1
91.82157	2.0
93.07045	12.9
95.08616	46.7
97.06516	2.8
97.10159	9.8
99.08067	3.7
100.47208	2.3
105.07021	15.2
107.08594	35.1
109.10157	64.5
119.08595	27.8
121.06522	2.5
121.10128	25.8
123.11715	42.1
125.09644	9.5
127.11198	30.1
129.06992	2.2
131.08566	12.6
133.10141	20.0
135.11694	21.4
137.13251	4.5
141.12752	13.9
143.08574	8.8
143.10675	10.6
145.10121	24.4
147.11674	24.8
149.13278	13.4
157.10124	17.9
159.11678	20.6
161.13242	18.0
163.14804	8.4
169.10130	2.0
171.11682	16.0
173.13254	18.8
175.14848	11.0
177.12880	2.4
177.16345	7.4
183.11697	3.0
185.13277	24.1
187.14883	20.2
189.16331	3.3
197.13278	4.4
199.14821	13.8
201.16321	14.6
203.14395	4.7
203.18022	8.2
211.14850	8.7
213.16386	5.0
215.17888	4.5
221.19098	2.4
225.16336	4.5
227.17979	12.8
228.09727	2.1
229.19437	3.8
239.17924	9.5
241.19458	3.8
243.17287	3.1
245.18979	4.9
249.18474	2.6
253.19565	8.1
281.22424	3.4
285.22122	4.1
295.24136	4.7
299.23563	4.3
313.25180	3.4
323.27420	2.8
335.27576	2.5
341.89197	2.1
403.33575	5.0
420.03632	2.2
421.34671	51.1
423.46979	2.2
439.35626	78.4
457.29919	7.8
457.36694	100.0
467.33316	2.2
483.36237	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	457.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46786	1.1
50.48660	1.1
54.37850	1.3
55.05512	2.7
57.07090	2.9
67.05498	9.1
69.07065	17.2
71.04997	18.6
79.05500	6.1
81.07059	29.2
83.08612	3.4
85.06517	1.6
86.28720	1.3
91.05470	2.9
93.07034	21.4
95.05000	1.3
95.08607	42.2
97.06521	2.4
97.10172	3.7
99.08107	6.2
105.07034	13.2
107.08604	36.3
109.10154	69.3
112.50831	1.5
117.07022	3.1
119.08571	23.6
121.10146	33.2
123.08096	2.6
123.11707	56.4
125.09611	3.5
127.11198	43.3
129.06970	2.1
131.08559	7.6
133.10144	28.4
133.36575	1.6
135.08087	3.5
135.11688	28.8
137.09651	2.3
137.13290	3.1
141.06937	1.6
141.12766	9.0
143.08578	9.5
145.10136	20.5
147.11688	30.3
149.09653	3.2
149.13252	18.1
151.11189	12.0
157.10103	14.9
159.11665	18.6
161.09703	1.6
161.13231	19.4
163.14833	6.9
165.09204	1.8
167.32129	1.6
169.10149	2.1
171.11662	14.7
173.13274	20.3
175.14856	12.4
177.12878	2.1
177.16389	2.3
183.11711	3.0
185.13249	17.3
187.14784	16.5
189.12778	3.1
189.16411	8.1
191.14355	2.6
191.17978	6.9
197.13217	5.7
199.14743	15.9
201.16385	14.7
203.14331	8.7
203.17979	7.8
207.17349	2.2
211.14897	6.6
213.16385	12.5
215.17914	7.9
217.15880	8.1
217.19431	5.3
219.17407	2.0
225.16428	2.0
227.17973	7.6
233.19000	2.1
239.17978	3.4
243.21184	2.2
245.19008	7.4
253.19533	5.9
267.21219	2.0
271.20636	2.9
273.22000	1.9
281.22568	3.0
294.23172	1.9
299.23688	7.5
313.25034	1.7
317.24533	2.1
332.76712	1.8
335.27295	2.3
403.33600	2.7
411.36676	2.1
421.34665	50.1
439.35657	91.8
457.36697	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3671
Annotation	alpha-Elemolic acid
Peak:m/z	Relative Intensity
53.00330	2.7
55.05532	4.3
57.07081	3.7
67.05508	6.1
69.07063	15.1
71.05003	25.6
71.40099	2.8
72.25475	3.0
79.19762	3.3
81.07076	26.2
83.08635	7.1
91.05455	4.2
93.07037	20.8
94.18380	3.8
95.08617	47.1
97.10164	6.0
99.08092	3.4
105.07034	15.1
107.08595	42.7
108.52792	3.7
109.06430	3.3
109.10153	82.2
119.08554	29.5
121.10170	39.9
123.11719	42.8
127.11210	38.5
131.08582	7.5
133.10144	23.1
135.11696	29.7
137.13258	4.5
141.12761	7.0
143.08575	7.9
143.10680	7.2
145.10121	21.8
147.11703	30.5
149.13264	17.4
151.11211	13.0
157.10135	7.0
159.11700	23.0
161.12030	3.5
161.13222	26.0
163.11076	3.5
163.14879	6.7
171.11646	17.2
173.13263	21.3
175.14803	7.6
183.11740	3.8
185.13177	23.7
187.14792	18.3
189.16422	4.3
191.14293	3.5
191.17886	4.6
192.40974	3.6
197.13144	4.4
199.14839	18.7
201.16341	13.6
203.14252	4.7
203.17978	7.0
213.16409	12.9
217.15919	4.1
225.16454	6.2
227.17924	6.9
235.59193	3.3
239.17841	4.9
245.19028	6.1
253.19595	4.6
281.22641	4.2
322.87421	3.7
421.34583	43.8
439.35669	86.9
457.36771	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97152	1.9
55.05503	2.1
56.84887	2.0
57.15046	2.1
64.27115	2.0
65.38660	2.5
67.05506	11.9
69.07064	14.8
71.04991	13.0
79.05452	2.9
81.07063	25.7
83.08594	3.0
91.05458	3.9
93.07044	12.6
95.08607	32.4
105.07013	11.6
107.08611	41.7
109.06543	2.5
109.10163	60.9
111.08054	4.0
119.08574	29.0
121.10163	23.6
123.11723	42.6
127.11189	28.1
131.08575	4.9
133.10121	26.6
135.08040	3.6
135.11714	17.3
137.09605	3.9
137.13278	4.8
138.41005	2.8
141.12804	8.9
143.08521	2.6
145.10114	13.0
147.11694	17.5
149.13249	12.3
151.11209	35.0
151.14795	3.4
157.10118	5.2
159.11700	23.3
161.13255	18.8
162.01756	2.5
163.11192	3.3
163.14825	4.1
171.11652	11.1
173.13266	16.8
174.72461	2.6
175.14810	10.4
176.25163	2.5
177.12711	3.2
185.13205	12.0
187.14825	4.5
189.12663	5.0
189.16415	3.9
191.14359	2.9
191.17877	4.6
199.14844	11.9
201.16475	9.8
203.14424	4.5
213.16377	4.7
215.18129	4.7
217.19516	3.3
225.16226	3.4
227.17969	3.1
241.19385	3.1
245.19075	3.5
421.34662	30.2
439.35773	100.0
457.27249	4.9
457.30212	3.4
457.36826	89.4
470.98578	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	457.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06128	2.3
54.77374	2.4
57.07081	2.6
57.35211	2.3
60.25094	3.0
64.16726	2.4
67.05518	12.9
69.07090	6.5
71.04996	26.5
81.07050	27.6
83.08672	5.2
91.05486	4.1
93.07063	17.8
95.08598	38.0
97.10225	3.0
105.07065	14.2
107.08598	27.3
109.06509	2.6
109.10155	71.4
117.07068	3.4
119.08591	33.0
121.10127	31.2
123.11716	55.7
127.11195	61.5
131.08604	14.9
133.10110	22.9
135.11667	23.1
137.13274	6.4
138.50238	2.7
141.12773	16.8
143.08562	13.4
145.10115	21.7
147.11673	28.1
149.13307	15.8
151.11223	3.7
157.10191	14.0
159.11650	22.7
161.13289	6.5
171.11711	23.1
173.13261	23.4
175.14787	11.5
185.13255	23.7
187.14806	18.2
189.12833	3.8
189.16396	6.1
197.13339	3.5
199.14806	12.9
201.16391	13.5
203.14339	12.8
211.14902	12.3
213.16437	15.5
215.17917	4.4
217.15944	6.6
217.19467	3.9
221.19199	3.3
225.16464	6.5
227.17963	6.1
231.17645	2.9
239.17924	3.4
253.19548	5.7
281.22665	6.8
299.23730	5.9
313.25919	3.2
403.33438	5.4
411.36426	4.5
421.34616	78.6
439.35724	100.0
457.31598	3.9
457.36832	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	457.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	4.4
57.07066	2.2
64.34415	2.1
67.05492	3.5
69.07061	10.6
71.04998	16.7
75.36674	1.9
81.07069	22.7
83.08616	9.8
85.39936	1.9
91.05473	2.9
93.07057	15.6
93.38996	1.8
95.08608	36.6
97.06569	1.9
97.10184	4.9
99.08081	3.9
105.07017	11.0
107.08592	26.5
109.10156	60.0
111.08058	3.8
115.95187	2.1
117.07014	2.7
119.08571	19.7
121.10122	24.5
123.11700	27.5
125.09659	4.0
127.11198	28.7
129.06992	2.2
131.08553	12.7
133.10109	18.4
135.11703	20.0
137.13260	3.9
141.12785	3.7
143.08551	9.6
143.10661	8.0
145.10117	19.8
147.11687	30.5
149.13286	15.1
157.10123	11.0
159.11707	12.8
161.13242	16.2
163.14851	7.4
169.10088	3.4
171.11662	22.1
173.13278	16.3
175.14873	11.5
177.12747	2.4
183.11696	4.2
185.13266	29.0
187.14799	26.8
189.16333	4.7
197.13258	4.7
199.14848	12.3
201.16397	13.8
203.17979	3.7
211.14621	7.4
213.16396	9.4
223.14777	3.0
225.16470	3.9
227.17938	8.9
239.17986	8.5
240.18674	3.6
245.18935	2.6
253.19559	9.3
253.56833	2.2
267.21231	3.0
281.22519	2.5
282.84506	2.0
293.22632	2.2
311.23392	2.4
313.25174	2.5
335.27045	2.4
403.33511	8.6
421.34595	58.2
429.17950	2.6
439.35645	74.1
443.16101	2.3
457.27213	4.0
457.36728	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	3.4
59.50598	1.4
67.05502	4.7
69.03421	2.6
69.07072	12.9
71.04992	16.9
72.96925	1.8
81.07072	22.6
83.08631	9.4
85.67982	1.8
88.99069	1.6
91.05465	3.0
93.07030	17.1
95.04975	2.1
95.08617	41.9
97.06544	3.5
97.10193	8.2
99.08107	3.5
99.76547	1.6
105.07036	12.7
107.08594	39.2
109.10156	56.3
119.08569	24.3
120.08893	2.1
121.06557	2.8
121.10115	28.3
123.08061	2.5
123.11700	33.3
125.09639	3.9
127.11190	22.9
131.08589	9.1
133.10110	20.6
134.18922	1.8
135.08067	2.8
135.11711	25.6
137.13275	7.4
141.12767	8.2
143.08566	4.1
143.10701	3.5
143.14980	2.2
145.10071	18.6
147.11699	22.0
149.13235	16.4
151.11169	3.6
151.14955	2.0
153.12720	2.8
157.10136	9.8
159.11711	17.6
161.13277	16.8
163.11238	2.3
163.14796	3.0
165.12836	2.4
169.10199	3.0
170.08142	1.9
171.11638	13.0
173.13281	16.9
175.14865	8.2
177.12897	2.5
177.16344	2.7
183.11731	2.9
185.13239	18.9
187.14809	14.9
189.12854	2.0
189.16428	12.2
191.14258	3.9
197.13289	3.8
199.14861	10.3
201.16383	16.1
202.01187	1.9
203.14294	3.2
203.17964	7.7
211.14954	7.3
213.16415	10.2
215.17899	3.7
217.15903	3.8
217.19545	2.9
221.19037	2.1
223.14767	3.0
225.16316	7.7
227.17993	7.2
229.19603	4.3
239.17955	3.7
245.18948	7.6
253.19478	3.5
267.21085	2.6
272.08292	1.9
279.21185	2.2
281.22635	2.5
299.23935	4.0
313.25253	2.7
370.52786	1.9
403.33459	2.2
421.34583	43.0
439.35651	75.3
457.20551	2.5
457.36734	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3677
Annotation	alpha-Elemolic acid
Peak:m/z	Relative Intensity
55.05521	3.6
56.23926	1.3
57.07104	2.6
67.05514	7.6
69.07085	15.6
71.05003	16.4
73.39391	1.4
74.82964	1.5
79.05499	2.3
81.07066	20.1
83.08600	4.0
91.05479	3.6
93.07043	12.1
95.08608	32.5
97.10165	2.9
97.36409	1.7
99.08125	4.3
105.07056	11.8
107.08607	29.0
109.10170	60.4
119.08598	27.8
121.10141	25.1
123.08094	3.3
123.11719	42.7
123.12586	2.3
125.09629	2.8
127.11192	30.7
131.08566	8.6
133.10135	20.2
135.08093	8.6
135.11690	19.2
137.09648	6.7
137.13283	3.1
141.12791	10.2
142.40379	2.1
143.08617	3.5
145.10083	13.7
145.87076	2.1
147.08167	1.9
147.11694	22.0
149.13275	12.9
151.11214	15.5
153.12762	2.4
157.10136	7.5
159.11679	17.1
161.13277	12.2
163.11172	3.4
163.14873	2.6
169.10155	1.9
171.11673	13.3
173.13263	15.5
175.11162	2.1
175.14845	9.4
177.12753	3.2
183.11758	3.1
185.13219	12.8
187.14890	10.7
189.12828	3.6
189.16434	8.7
191.18013	3.8
197.13286	3.4
199.14870	10.3
201.16457	10.3
203.14337	9.1
203.18004	2.2
211.14891	2.3
213.16270	5.8
217.16048	7.7
217.19447	3.0
227.17976	8.3
241.69586	1.7
245.19122	9.1
253.19585	3.4
271.20514	2.6
299.23743	1.8
313.25516	2.4
403.33450	3.5
421.34601	40.7
439.35742	67.8
444.48312	1.9
457.22018	2.9
457.36871	100.0
459.08783	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	457.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97040	2.4
52.84734	2.6
55.05518	7.2
57.07096	3.9
63.87172	2.9
67.05508	13.2
69.07063	18.2
71.04978	20.6
71.38241	3.1
77.69014	3.0
81.07055	34.6
83.08633	7.3
85.06529	7.0
86.43089	3.2
90.63177	3.5
91.05486	4.0
93.07035	21.1
93.36681	2.8
95.08605	67.6
97.06535	4.8
97.10135	10.6
99.08085	7.4
105.07051	20.0
107.08607	53.8
109.10177	43.5
113.27121	3.2
119.08580	34.3
121.10141	40.5
123.11703	40.9
125.09621	30.4
127.11176	16.7
131.08569	19.3
133.10098	29.5
135.11713	32.4
137.13257	8.0
139.11176	12.1
141.12772	16.2
143.08620	4.7
143.10672	55.3
145.10132	38.2
147.11681	38.7
149.13269	19.0
157.10124	14.1
159.11691	39.8
161.13252	32.6
163.14838	13.0
171.11699	18.8
173.13272	29.8
175.14781	36.3
177.16327	7.9
183.11674	6.4
185.13225	23.6
187.14799	27.4
189.16405	16.4
197.13232	3.8
199.14801	12.6
201.16356	28.8
203.17903	5.4
205.15863	12.5
211.14798	4.6
213.16449	4.2
215.17918	14.7
225.16364	4.5
227.17966	15.7
229.19539	4.7
231.17465	7.0
239.17917	5.8
241.19388	5.2
241.89484	3.7
245.18979	18.9
247.20735	4.4
255.21111	5.0
259.20660	4.1
281.22675	5.6
291.23325	3.8
299.23724	4.1
403.33655	4.0
421.34665	45.4
439.35681	93.2
457.36865	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67249	3.5
55.63688	3.9
62.42197	3.6
69.07082	7.9
71.04996	33.2
76.54314	3.9
81.07058	33.3
89.72186	3.8
93.07043	16.3
95.08618	45.2
99.08067	4.2
105.07008	9.9
107.08598	50.5
109.10162	77.0
119.02174	3.5
119.08592	36.7
121.09411	3.8
121.10119	34.5
123.11701	58.4
127.11179	66.5
129.90616	4.0
131.08548	17.5
133.10143	18.8
135.07993	4.5
135.11703	36.5
137.13263	5.6
141.12770	9.1
143.08559	19.3
145.10126	28.0
147.11707	31.8
149.13292	24.8
157.10158	17.0
159.11671	23.4
161.13269	20.9
163.11147	7.3
171.11696	23.0
173.13293	16.8
175.14835	9.6
178.88660	3.8
185.13261	22.1
187.14896	15.2
189.16379	4.6
197.13354	5.3
199.14865	21.4
201.16452	8.5
203.14418	6.6
203.18011	7.7
213.16299	17.8
215.17935	5.6
217.19495	4.8
227.17989	20.9
239.18013	7.5
245.18942	5.3
253.19624	7.4
408.02081	4.5
421.34601	75.5
439.35818	100.0
457.36703	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	457.3677
Annotation	alpha-Elemolic acid
Peak:m/z	Relative Intensity
55.05525	2.2
57.07064	1.7
64.14973	1.6
67.05502	10.8
69.07065	10.2
71.04993	17.6
72.09821	2.2
79.05480	7.5
81.07051	19.1
83.08614	7.9
83.88062	2.1
91.05489	2.9
93.07047	11.7
95.08606	37.5
97.10158	4.5
99.08104	2.3
105.07018	9.5
105.97109	2.2
107.08595	23.3
109.10155	57.4
117.06991	3.3
119.07870	1.7
119.08556	17.7
121.09282	3.0
121.10122	35.4
123.11722	20.6
125.09615	4.6
127.11205	29.8
129.06995	3.0
131.08566	11.5
132.38919	1.9
133.10124	12.8
135.11679	15.0
137.13281	8.0
140.18709	1.8
141.12785	6.4
143.08533	7.4
143.10660	3.4
145.10112	19.5
147.11678	17.0
149.13249	15.3
157.10141	10.7
159.11691	12.5
161.13240	13.7
163.14818	8.8
165.19350	2.0
169.10159	2.2
171.11693	13.6
171.38509	2.0
173.13243	14.8
175.14792	7.6
183.11708	2.1
185.13223	21.5
187.14783	14.9
189.16319	2.9
197.13274	3.2
199.14789	7.9
201.16397	9.3
203.14297	4.2
211.14752	2.8
213.16360	3.9
215.17937	2.8
217.15892	4.1
217.19479	3.1
225.16409	7.3
227.17967	11.1
229.19547	2.4
231.17560	2.5
239.17946	3.8
241.19568	2.9
245.19043	3.3
253.19516	8.1
255.21144	3.6
257.18835	2.5
262.16412	2.1
269.22455	2.3
295.24072	2.6
299.23834	2.4
313.25314	2.7
379.29843	2.7
403.33426	3.0
411.36597	2.7
421.34634	49.3
439.35703	79.0
457.26215	28.3
457.36700	100.0
477.63754	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	457.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	5.1
64.60715	2.2
67.05498	12.2
69.07065	10.3
71.04999	12.7
79.05496	4.3
81.07051	22.8
83.08614	9.0
86.09698	4.5
91.05448	4.2
93.07049	16.3
95.08611	33.3
95.90623	2.2
97.10199	3.3
97.54787	2.5
99.08080	5.6
100.24929	2.3
105.07062	11.6
105.33828	2.2
107.08597	28.9
109.06475	2.8
109.10160	60.4
111.11643	2.6
119.08561	27.5
121.10136	26.8
123.11713	39.9
125.09621	4.6
127.11191	30.9
131.08549	5.2
133.10143	29.2
135.08029	4.0
135.11684	19.2
137.13289	5.2
141.12747	5.3
143.08591	3.5
143.10602	2.3
145.10129	15.0
147.11693	26.5
149.13289	15.1
151.11163	12.7
151.92296	2.6
157.10091	8.3
159.11642	18.2
160.49564	2.7
161.13179	17.4
171.11710	10.8
173.13266	13.9
175.14848	9.8
177.12782	3.0
177.16499	4.5
185.13240	13.0
187.14799	11.7
189.16397	12.2
191.17982	4.7
197.13133	2.9
199.14836	9.9
201.16342	6.0
203.14378	4.9
203.17900	3.9
211.14702	3.2
213.16423	5.0
217.19530	5.3
223.14789	3.0
225.16360	2.9
227.17992	3.9
253.19408	3.4
255.21347	2.9
265.19839	2.9
267.21115	3.2
317.24826	3.0
335.27124	3.0
342.80957	2.6
414.25226	2.8
421.34689	46.1
439.35706	76.0
457.36798	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	3.4
59.50598	1.4
67.05502	4.7
69.03421	2.6
69.07072	12.9
71.04992	16.9
72.96925	1.8
81.07072	22.6
83.08631	9.4
85.67982	1.8
88.99069	1.6
91.05465	3.0
93.07030	17.1
95.04975	2.1
95.08617	41.9
97.06544	3.5
97.10193	8.2
99.08107	3.5
99.76547	1.6
105.07036	12.7
107.08594	39.2
109.10156	56.3
119.08569	24.3
120.08893	2.1
121.06557	2.8
121.10115	28.3
123.08061	2.5
123.11700	33.3
125.09639	3.9
127.11190	22.9
131.08589	9.1
133.10110	20.6
134.18922	1.8
135.08067	2.8
135.11711	25.6
137.13275	7.4
141.12767	8.2
143.08566	4.1
143.10701	3.5
143.14980	2.2
145.10071	18.6
147.11699	22.0
149.13235	16.4
151.11169	3.6
151.14955	2.0
153.12720	2.8
157.10136	9.8
159.11711	17.6
161.13277	16.8
163.11238	2.3
163.14796	3.0
165.12836	2.4
169.10199	3.0
170.08142	1.9
171.11638	13.0
173.13281	16.9
175.14865	8.2
177.12897	2.5
177.16344	2.7
183.11731	2.9
185.13239	18.9
187.14809	14.9
189.12854	2.0
189.16428	12.2
191.14258	3.9
197.13289	3.8
199.14861	10.3
201.16383	16.1
202.01187	1.9
203.14294	3.2
203.17964	7.7
211.14954	7.3
213.16415	10.2
215.17899	3.7
217.15903	3.8
217.19545	2.9
221.19037	2.1
223.14767	3.0
225.16316	7.7
227.17993	7.2
229.19603	4.3
239.17955	3.7
245.18948	7.6
253.19478	3.5
267.21085	2.6
272.08292	1.9
279.21185	2.2
281.22635	2.5
299.23935	4.0
313.25253	2.7
370.52786	1.9
403.33459	2.2
421.34583	43.0
439.35651	75.3
457.20551	2.5
457.36734	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56389	0.6
56.11651	0.6
57.07084	4.2
57.78483	0.7
58.06620	0.7
60.29371	0.6
68.46771	0.7
70.06593	7.1
71.08633	1.5
77.22064	0.6
81.07056	1.7
85.10226	0.7
88.07632	22.7
93.07064	3.6
95.08601	1.1
97.06509	0.8
97.10181	1.3
100.07636	0.8
102.09187	14.3
107.08598	3.0
110.44837	0.8
111.11800	0.8
121.10138	9.3
126.42198	0.6
138.12778	4.7
139.11209	4.1
145.10210	0.7
147.11714	0.8
149.09608	1.4
156.13887	3.1
167.10651	1.2
184.13333	10.2
199.11823	0.7
210.14842	1.2
211.13348	2.7
212.23793	2.8
228.15933	24.4
256.26328	100.0
274.27405	4.9
274.43396	0.7
402.11469	0.7
412.26807	0.8
457.40070	94.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94104	0.2
70.06596	1.1
70.42521	0.2
84.08177	0.2
85.06561	0.4
86.89632	0.2
103.05496	2.1
107.04951	0.6
113.06016	1.4
120.08102	100.0
122.06054	0.4
129.10246	1.0
131.04916	4.2
131.07043	1.3
136.07605	0.3
145.20512	0.3
149.05988	2.3
166.08624	55.8
195.05824	0.4
199.27779	0.3
255.11305	0.3
283.17542	0.2
302.10483	0.3
458.15701	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	458.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44251	2.5
52.73384	1.9
55.05512	2.1
57.03439	11.1
59.05002	3.8
69.03433	52.6
69.07073	38.3
70.06595	10.8
72.08167	28.3
81.03425	2.3
84.04496	2.3
84.08135	12.3
85.02915	34.7
86.09711	23.3
87.04473	51.4
87.08113	100.0
87.70449	2.2
96.56320	2.5
97.02901	52.6
99.04453	1.9
110.07158	2.5
110.25949	2.1
114.09179	5.0
115.03143	2.3
115.03932	60.7
119.10707	17.6
120.08127	2.6
121.70033	2.0
129.10248	14.0
133.04965	43.7
136.07539	3.5
140.18324	2.1
143.11792	11.2
145.04970	3.3
147.10165	74.1
150.07671	2.6
171.11226	7.9
256.79001	2.4
259.08093	4.1
279.14389	5.1
295.10291	4.6
333.02289	2.5
342.82379	2.2
458.31314	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	458.3475
Annotation	17-carboxyheptadecanoylcarnitine
Peak:m/z	Relative Intensity
50.23638	1.5
50.96597	1.3
54.56829	1.3
57.07086	26.2
57.14022	1.3
61.30660	1.5
71.08637	56.4
85.10193	30.8
87.04445	2.4
89.06031	80.5
91.05491	2.9
93.07059	14.3
95.04945	2.3
101.66095	1.9
105.07132	1.5
107.08669	1.6
118.09398	1.8
119.04919	2.1
119.08569	3.0
121.06509	82.5
121.36378	1.5
133.08603	24.9
135.08081	2.0
139.61043	1.9
147.08069	11.0
149.09625	3.5
163.11125	2.0
165.09128	24.8
209.11664	4.0
247.20552	13.5
291.23306	7.8
315.17999	81.0
335.26041	2.6
441.32111	100.0
458.28613	2.8
458.34872	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	459.184
Annotation	Unknow
Peak:m/z	Relative Intensity
64.92844	1.5
69.98067	1.3
70.06592	10.5
72.08160	12.3
74.06085	3.1
84.04535	1.8
84.08140	8.2
84.80403	1.9
86.09712	17.3
97.02868	1.4
102.05535	2.3
110.07144	6.6
116.07102	10.5
119.88873	1.2
129.10225	2.7
135.74466	1.5
142.43127	1.3
148.06003	1.9
149.29723	1.4
150.10527	1.6
171.14908	2.2
195.13623	1.6
203.10265	6.5
211.13216	1.6
231.09729	2.3
243.04718	3.0
245.06378	2.3
253.12991	1.9
269.09961	2.5
287.03690	22.9
289.05267	16.8
311.10950	1.9
328.16321	1.8
344.18231	1.6
415.19373	1.8
459.19153	100.0
459.32147	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	459.22
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32328	0.3
68.79448	0.2
69.24557	0.3
83.76485	0.3
89.70646	0.3
92.21412	0.4
125.02103	0.4
147.51591	0.3
185.04219	4.9
187.66534	0.3
234.81592	0.3
297.16589	2.3
310.24277	0.3
315.17825	0.4
397.21863	1.2
398.46454	0.4
459.21997	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	459.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94619	0.3
60.32292	0.3
69.03427	1.6
69.07072	0.3
71.08639	0.4
74.50114	0.3
81.03428	0.4
109.10165	0.4
150.27306	0.4
169.10075	0.5
181.05992	0.4
185.04211	6.4
223.14798	0.4
251.52121	0.4
273.33426	0.4
297.16821	1.5
315.17795	0.4
329.08997	0.4
336.92270	0.4
378.41058	0.4
397.22015	1.7
459.21988	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05537	2.5
56.20090	1.3
58.53751	1.4
59.39296	1.3
67.05509	7.6
69.03428	3.2
69.07063	8.3
71.05015	2.1
71.57409	1.6
81.03442	2.0
81.07048	7.9
83.04978	11.9
83.08638	4.2
85.02914	1.7
85.06552	2.5
86.09704	8.2
91.05492	2.1
93.07056	3.2
95.08602	17.5
97.02934	2.8
99.08113	6.4
103.92261	1.6
107.08582	13.4
109.06527	7.2
109.10162	72.8
111.11764	1.8
114.09165	3.2
119.08575	21.8
121.10138	10.6
123.08076	10.2
123.11688	7.9
127.03890	2.4
133.10133	18.3
135.10658	3.2
135.11694	73.1
137.09642	19.1
139.11166	2.8
149.13200	3.5
151.11218	11.0
151.14825	11.4
153.12769	3.0
175.14804	33.0
188.28819	1.6
191.55917	1.7
193.15880	39.3
197.06888	1.7
209.15256	1.9
211.16953	100.0
230.84308	1.7
245.18741	2.1
459.22333	3.4
467.32373	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	459.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34613	0.4
54.51895	0.4
55.01882	0.6
55.05505	2.4
57.03440	0.6
57.07074	0.5
59.04996	0.7
60.45918	0.4
61.49969	0.4
63.33160	0.4
67.05502	4.5
69.03445	4.6
69.07074	8.3
71.04982	2.8
72.19416	0.4
76.16268	0.4
77.17622	0.4
79.05495	0.6
81.03413	1.1
81.07066	7.7
82.39311	0.4
82.76463	0.5
83.04980	5.9
83.08634	4.6
85.02906	6.7
85.06532	2.7
86.09711	3.6
87.00842	4.1
92.20945	0.7
93.07042	4.6
95.08612	18.6
97.02890	2.9
97.10143	1.0
99.04434	1.0
99.08086	5.0
105.01821	0.7
105.07006	3.2
107.08599	10.8
109.02883	2.7
109.06529	4.7
109.10159	69.9
111.08077	3.1
113.09645	2.1
114.09177	7.7
119.07752	0.9
119.08581	20.8
121.10146	9.2
123.08064	9.7
123.11703	5.6
125.09644	0.6
127.03942	3.7
133.10133	14.9
135.11699	74.3
137.09624	15.7
139.11191	2.2
145.04910	0.5
149.13255	7.3
151.11189	5.9
151.14842	12.5
153.12772	4.0
159.02893	0.7
165.16364	3.4
175.14822	28.1
187.14430	2.2
193.15887	37.2
209.16591	0.7
210.15150	0.5
211.16928	100.0
279.44943	0.6
346.96448	0.5
360.18985	0.5
459.18121	1.0
459.33948	0.6
476.37408	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.8
53.36064	0.9
55.01863	1.7
55.05523	4.0
62.58879	0.8
67.05519	7.4
69.03422	7.4
69.07074	1.4
70.06583	2.2
71.04990	1.5
72.08156	5.9
79.05515	1.3
81.03429	6.9
81.07057	7.4
83.04986	23.5
83.08617	1.2
84.08160	1.3
85.02919	15.8
86.09711	7.4
87.00824	4.6
93.07021	1.3
95.04967	16.1
95.08609	10.5
97.02882	5.4
97.06524	1.2
99.04472	5.3
99.08096	9.1
105.01897	4.9
105.07045	1.3
107.04948	1.1
107.08607	6.3
109.02895	7.6
109.06517	4.9
109.10164	56.8
117.27283	1.1
119.08595	2.4
121.10120	6.5
123.11691	4.6
126.91953	1.0
127.03938	13.6
129.10252	2.0
133.10156	5.2
135.08073	4.2
135.11705	7.1
137.06004	4.8
137.09621	83.8
145.05006	1.2
155.10655	5.8
159.02931	4.4
161.09572	1.2
165.16364	7.7
175.14856	6.1
179.10701	1.0
193.15889	100.0
197.11719	4.2
211.16924	11.0
217.15881	1.5
235.17001	1.6
253.18051	2.0
295.19070	2.2
338.67346	1.3
349.12704	1.1
405.18875	4.5
423.20334	8.9
441.21143	4.2
459.22232	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	459.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25952	1.3
56.05050	2.3
59.87603	1.3
60.05655	44.2
62.02254	1.5
70.06590	10.7
72.04507	7.5
72.08156	6.9
74.06072	2.7
76.05128	8.2
83.06104	18.3
84.04498	2.3
84.05609	1.8
84.08112	6.6
86.09700	17.4
89.56478	1.9
102.05542	3.1
116.07100	2.5
118.04982	8.4
121.05146	2.4
123.06672	11.6
124.05066	3.9
124.07445	14.2
125.08243	10.2
129.10246	8.7
130.05034	2.6
132.10213	9.4
135.07646	2.5
139.06154	18.3
139.08516	7.8
147.07654	1.8
149.04565	14.4
150.09023	2.7
151.06139	34.5
152.04498	2.4
160.07182	7.5
164.05659	6.9
166.07285	3.4
167.08025	3.6
168.08717	6.9
172.10887	1.9
177.04080	9.8
177.09880	15.9
194.06750	12.3
220.10693	2.1
229.12936	6.6
240.10991	14.0
240.13121	3.3
245.11435	1.7
282.15726	3.3
297.16623	3.8
308.13571	26.6
312.22040	2.0
323.14597	8.4
325.16180	100.0
399.19897	24.7
459.09006	2.9
459.23047	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	459.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	4.6
69.07066	1.5
70.06594	24.8
71.10764	0.8
72.04525	6.7
72.08156	4.9
74.06078	5.9
74.69669	0.8
76.05133	38.3
81.69909	1.0
84.04507	1.6
84.08156	8.6
86.09712	7.4
95.08572	0.9
96.05577	1.8
102.05544	11.8
107.04345	0.9
110.07168	9.2
112.05064	1.2
116.07127	1.1
116.08164	1.3
118.05003	16.4
120.06580	2.0
120.08122	1.1
126.06599	1.5
128.30063	0.9
129.10216	6.2
131.09277	1.8
136.07561	1.7
142.60405	0.9
159.08772	1.9
159.11206	1.1
160.07155	36.7
165.12639	1.0
166.13387	5.1
167.14102	1.9
175.93945	0.9
177.09828	100.0
182.12968	9.5
192.14932	2.2
208.43243	1.0
217.11844	1.2
220.44585	1.1
227.10623	2.0
245.11421	5.7
275.47867	1.1
283.17477	5.8
312.24039	1.2
341.29132	1.3
407.37585	1.2
459.25674	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	459.28
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44899	0.5
60.05648	2.1
70.06586	2.3
72.08154	2.7
73.06557	1.0
74.06074	1.0
76.05119	1.0
84.08151	0.7
86.09723	4.0
87.04474	8.3
89.06036	100.0
89.86807	0.5
107.07055	1.2
110.07189	0.6
116.08221	0.7
117.09045	0.6
129.10213	0.7
131.07059	1.1
133.08612	41.6
149.37250	0.6
172.68765	0.5
177.09724	0.8
177.11215	17.8
221.13814	4.3
239.14694	0.6
309.18976	0.7
327.20111	1.0
371.22458	0.7
415.25024	1.4
459.28711	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	459.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05550	0.3
56.05036	0.3
56.90050	0.3
57.07104	0.5
67.05510	0.4
69.03430	0.5
69.07073	6.4
70.06618	0.5
72.08142	0.8
74.06080	5.8
77.38808	0.3
79.05507	0.9
81.07060	0.7
81.71413	0.4
84.08138	0.7
85.02909	0.9
86.09707	100.0
95.08615	0.5
96.08138	3.5
97.06541	0.5
98.37578	0.4
109.10142	0.4
112.14476	0.4
113.10757	1.9
114.09164	29.6
115.09515	0.9
117.87630	0.3
123.11720	0.4
124.03969	0.7
126.05504	6.0
131.11789	0.6
132.10214	2.0
133.10071	0.4
135.11720	0.5
143.08473	0.4
144.06570	0.5
145.10046	0.4
153.06636	3.3
157.13341	8.7
169.09737	0.8
185.12880	2.2
197.09201	11.7
203.13925	1.5
209.16508	3.5
215.10248	3.2
226.19122	2.1
227.17580	2.4
228.15955	2.3
231.98273	0.5
239.13931	2.9
245.18681	3.3
257.14978	2.2
299.67487	0.4
300.19162	11.9
322.24991	1.0
328.18640	18.8
340.26172	0.5
341.24435	0.7
441.26965	1.4
445.52533	0.4
452.36050	0.6
453.35034	0.5
459.01453	3.1
459.18076	2.3
459.25037	0.6
459.35635	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	459.379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11192	0.5
53.17234	0.5
55.05514	2.4
62.05773	0.6
67.05499	3.9
73.77775	0.5
77.13896	0.5
79.05502	3.0
80.23028	0.6
83.08630	4.4
84.08158	0.7
86.06068	1.0
88.07600	1.2
93.07059	2.2
97.10172	11.5
99.04439	5.9
100.11267	0.9
104.07117	0.7
107.08591	11.8
109.10169	2.9
122.08112	1.0
124.11185	4.6
125.09630	16.4
135.08057	9.7
142.12276	9.4
152.10709	7.9
153.09065	7.7
170.11752	23.3
171.10246	1.0
171.54779	0.7
196.13318	2.6
197.11711	15.4
207.31133	0.7
214.14365	100.0
235.37032	0.6
242.24957	1.3
246.22763	0.6
267.57605	0.6
286.84000	0.8
361.02206	0.6
411.36060	0.8
459.37912	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	459.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13154	0.6
55.05515	3.0
62.51103	0.6
67.05515	5.4
69.03423	0.8
70.47576	0.6
73.02915	1.3
79.05506	3.0
83.08627	6.0
93.07032	3.1
97.10176	11.8
99.04466	5.3
106.51043	0.9
107.08598	14.5
109.10183	3.4
124.11243	6.9
125.09640	18.0
125.10542	0.8
135.08052	11.8
142.12297	9.4
152.10721	5.8
153.09105	7.7
170.11765	29.5
171.10214	1.7
196.13383	3.0
197.11723	15.3
214.14377	100.0
242.24829	1.4
334.08319	0.8
411.35513	0.9
459.37949	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	459.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56067	0.6
55.05513	1.5
67.05501	4.5
74.06086	0.9
79.05494	2.7
81.07100	0.7
83.08630	3.3
86.06075	1.0
88.07655	0.8
93.07059	2.6
97.10172	12.7
99.04417	4.8
100.11214	0.7
107.08601	11.9
109.10179	1.6
121.70023	0.6
124.11228	8.5
125.09630	17.5
135.08040	9.6
135.55098	0.8
142.12276	10.3
152.10722	6.8
153.09134	8.7
170.11754	25.3
171.10115	1.5
196.13402	0.8
197.11745	17.7
214.14378	100.0
214.43111	0.7
230.42880	0.8
242.24826	3.9
288.20770	0.7
354.76904	0.8
459.37909	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	459.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
60.63810	11.2
69.07080	15.2
81.07066	100.0
83.08644	14.2
86.81809	13.2
93.07049	61.6
93.48321	11.6
93.48933	12.8
95.08608	86.3
105.07051	19.4
107.08599	73.5
109.10147	33.8
119.08553	30.6
121.10118	93.9
123.11697	32.9
133.10106	56.5
135.11710	33.2
145.10152	21.4
147.11667	25.5
149.13255	33.2
159.11710	17.8
161.13281	29.6
163.14828	27.7
173.13220	16.0
270.73450	15.4
282.95770	15.8
287.06787	16.1
381.72784	14.3
408.96313	18.1
423.36142	26.0
441.37222	25.2
459.27771	14.1
459.37399	25.4
459.43347	30.2
470.31082	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	459.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71237	2.0
51.78148	2.4
55.05519	5.8
56.87954	2.5
57.07077	3.2
59.05008	5.8
61.88136	2.4
63.29016	2.1
67.05503	17.1
69.07063	21.4
71.04985	2.6
79.05505	6.0
81.07066	69.1
83.08614	15.1
85.06532	12.0
87.04471	5.7
91.05470	5.2
93.07042	41.7
95.08609	74.0
97.06546	4.7
97.10163	11.7
105.07027	23.1
107.08583	65.3
109.06514	2.8
109.10156	68.4
111.08079	3.2
113.09655	3.3
115.07568	4.9
119.08567	33.0
121.10146	52.0
123.08099	3.0
123.11721	32.6
131.08582	3.0
133.10153	31.9
135.11693	38.7
137.13278	5.2
141.09142	8.5
145.10097	12.0
147.11693	25.1
149.13239	47.4
151.11134	3.5
157.10098	2.8
159.10225	5.9
159.11685	18.9
161.13315	21.7
163.14801	55.6
173.13322	18.3
175.14835	29.9
177.16403	12.8
185.13280	4.4
187.14792	15.0
189.16408	23.1
191.17934	6.2
201.16374	5.3
203.17957	13.1
205.26369	2.6
211.62416	2.6
213.16359	4.1
215.17941	11.9
217.19504	12.9
227.17966	4.2
229.19559	6.2
231.21071	5.8
285.25668	4.4
292.77600	2.7
321.87976	2.4
383.33069	14.5
423.35672	3.6
441.37268	58.6
459.38297	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42485	3.8
51.28030	3.7
55.05513	5.1
67.05514	11.0
69.07062	7.6
79.05514	5.1
81.07056	53.8
83.08647	7.9
85.06540	5.5
87.04456	5.1
93.07049	35.9
95.08608	75.4
97.10152	5.5
105.07042	20.1
107.08585	40.0
109.10172	53.9
119.08575	28.1
121.10139	44.7
123.11700	27.8
133.10146	22.6
135.11652	31.5
137.13300	5.7
145.10107	5.6
147.11678	22.7
149.13280	43.2
154.30042	4.6
159.11678	9.8
161.13254	29.3
163.14882	11.1
173.13245	8.5
175.14828	22.1
177.16299	8.8
187.14856	5.2
189.16336	5.6
203.17963	6.0
215.17972	5.7
217.19249	5.8
229.19621	8.5
231.21091	9.2
325.43552	4.5
383.32925	7.6
423.36188	7.9
441.37213	34.5
459.29013	5.4
459.32086	5.8
459.38385	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	459.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08080	3.9
55.05497	8.1
57.07085	5.0
60.24279	3.1
67.05499	22.3
69.07074	31.8
70.42130	3.3
71.05006	42.0
73.92883	3.3
75.49654	3.7
79.05513	7.1
81.07059	54.8
83.08635	15.9
84.54536	4.4
91.05473	4.4
91.25571	3.7
92.21523	4.9
93.07027	37.6
95.08618	97.5
97.06535	6.5
97.10184	6.6
99.08118	7.4
105.07040	34.9
107.08604	71.6
109.10163	100.0
119.08588	50.5
121.03465	3.6
121.10150	76.8
123.11703	39.5
125.09627	8.5
127.11206	73.1
131.08560	19.3
133.10130	63.6
135.11690	56.3
137.13257	9.3
138.33842	3.3
141.12738	4.7
143.10699	16.4
145.10150	34.2
147.11681	63.6
149.13255	47.9
157.10191	5.7
159.11682	45.7
161.13237	50.4
163.14825	32.0
171.11713	6.7
173.13321	31.0
175.14810	40.9
177.16348	21.8
187.14847	50.4
189.16393	33.2
191.17986	5.4
199.14792	5.3
201.16327	38.7
203.17987	16.4
205.15904	13.6
213.16484	5.5
215.18010	13.5
217.19507	6.3
219.17360	8.7
227.17883	4.2
229.19511	15.5
241.19463	7.7
247.20604	18.7
255.20944	4.3
269.22437	4.7
315.26758	16.8
337.28979	4.6
405.35367	7.3
412.65576	4.4
423.36230	92.5
441.37192	85.2
459.38235	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	459.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03576	2.4
55.05521	7.3
57.07077	4.5
67.05507	17.8
68.55392	3.2
69.03425	2.7
69.07066	26.7
71.04995	28.5
79.05489	8.0
81.07065	44.0
83.08615	16.6
91.05508	11.1
93.07045	21.3
95.08608	75.1
97.06521	6.1
97.10158	4.8
105.07059	26.4
107.08601	60.8
109.10157	67.7
119.08582	43.4
121.10135	59.0
123.11726	32.5
125.09603	4.6
127.11197	61.5
131.08571	15.6
133.10138	39.1
135.11679	41.0
137.13266	7.2
139.11159	6.0
141.12737	6.4
143.10701	5.4
145.10141	34.6
147.11684	34.5
149.13264	37.4
151.11246	3.8
157.10048	4.6
159.11667	37.4
161.13277	45.7
163.14816	26.1
171.11665	4.6
173.13312	28.8
175.14784	45.6
177.16393	17.0
179.14317	3.6
185.04185	5.1
185.13182	4.0
187.14851	36.8
189.16447	28.9
191.17989	3.8
199.14793	3.4
201.16388	44.5
203.17989	17.2
205.15903	7.9
213.16547	4.4
215.17929	13.1
217.19563	7.8
227.17818	4.5
229.19446	19.0
237.12956	3.2
241.19510	5.9
247.20551	15.1
255.20947	4.7
315.26889	8.0
405.34961	5.5
423.36240	78.4
441.37289	78.0
459.21933	100.0
459.27997	9.0
459.38449	83.3
473.67444	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	460.145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60790	0.6
52.22379	0.5
53.03962	2.9
55.01881	5.2
57.03437	1.4
59.78071	0.6
61.02922	3.0
64.21568	0.7
65.33792	0.7
69.03437	14.7
70.06593	1.8
71.04993	3.4
72.08150	3.6
73.02929	5.9
77.21042	0.6
81.03431	17.8
83.38559	0.6
84.08141	1.1
85.02909	49.9
86.09705	10.7
87.00845	17.1
87.04525	0.7
87.10064	0.7
97.02898	21.4
99.04465	8.7
105.01877	20.5
109.02884	25.7
115.03943	0.9
117.01881	1.0
117.03387	0.9
123.08054	3.8
126.05535	0.9
127.03925	39.0
129.01839	3.5
132.10188	0.9
135.08029	1.1
141.52821	0.7
145.02853	25.9
145.04948	14.1
147.02879	1.5
149.05977	1.2
159.02885	14.4
163.07564	0.9
165.09106	7.9
175.07593	0.8
177.05470	100.0
188.97137	0.8
189.03964	0.8
195.06522	22.8
200.13921	1.8
205.36966	0.7
209.53178	0.7
213.03920	1.7
219.06505	1.2
231.04958	10.1
237.07751	0.8
241.08611	1.6
249.06009	1.7
263.12839	3.3
285.07523	1.1
407.17706	0.7
425.10748	9.6
460.13998	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	460.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.7
55.01873	4.2
57.03438	1.0
58.87833	0.9
61.02922	1.9
68.79915	0.9
69.03436	13.9
71.04993	2.4
73.02911	4.9
81.03424	16.0
84.08180	1.0
85.02906	47.5
86.09715	1.3
86.36623	0.9
87.00841	18.9
91.03967	1.0
93.11829	0.9
97.02898	18.6
99.04455	11.4
105.01872	20.5
109.02883	19.3
117.01849	1.3
117.03327	1.7
127.03918	35.9
129.01849	1.9
141.76575	1.0
141.77737	1.0
145.02863	26.9
145.04953	14.0
149.49940	1.0
159.02856	12.8
177.05464	100.0
195.06531	20.4
213.04010	1.8
216.10443	1.2
231.04916	7.8
249.06023	1.4
416.06705	1.2
425.10565	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	460.145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23614	0.6
51.71716	0.8
53.03954	3.4
55.01878	5.0
57.03442	3.2
57.84869	0.7
58.47431	0.6
61.02934	3.3
69.03439	15.7
70.06594	3.2
71.04999	3.4
72.08154	6.3
73.02924	6.3
74.06089	0.7
81.03426	15.9
84.08134	1.5
85.02913	48.5
86.09710	14.8
87.00836	19.5
91.03947	1.5
97.02900	24.3
97.95229	0.8
99.04462	11.4
101.07143	1.0
101.28048	0.8
102.05556	1.4
105.01879	15.9
105.16346	0.8
109.02888	26.0
116.07123	1.3
117.01866	1.2
117.03392	1.3
127.03920	41.2
129.01823	1.9
129.10210	1.2
136.07591	1.2
145.02856	22.7
145.04945	18.9
147.02896	0.9
159.02890	18.5
173.12891	4.2
177.05473	100.0
186.16794	1.0
195.06543	34.4
201.12332	3.6
213.04074	2.8
231.04994	11.1
249.06013	1.3
260.15939	1.6
365.54712	0.9
425.10861	5.9
460.18930	5.4
460.27994	1.9
475.76468	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	460.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.2
57.03426	2.6
61.02923	5.8
68.26983	1.0
68.94035	1.1
69.03439	1.9
70.06609	1.7
72.08147	5.0
73.02925	27.1
78.52604	1.0
84.08128	1.5
85.02920	8.6
86.09697	1.5
87.04488	1.9
91.05492	5.1
97.02895	19.0
98.78905	1.1
99.04519	1.2
101.06039	1.3
103.66463	1.1
112.03951	4.7
115.03915	2.2
119.07066	4.9
120.08103	29.8
127.03938	5.8
127.84284	1.2
128.07088	5.0
129.10234	1.3
130.06503	2.0
132.08098	13.1
143.05768	9.7
144.08067	2.0
145.05066	1.4
149.05992	1.9
156.08087	2.8
161.06793	4.0
162.09218	1.8
166.08638	15.5
171.08014	1.5
178.08696	5.4
179.90947	1.3
198.09166	7.2
216.10252	2.3
228.10025	1.9
244.09697	13.7
246.11223	21.7
264.12292	42.6
282.13348	1.4
292.11792	100.0
310.12857	75.0
342.72061	1.1
424.16019	23.4
442.17075	49.2
460.18033	14.9
460.23987	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	460.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94854	0.6
56.05035	3.8
57.79456	0.8
58.04090	1.6
66.33744	0.7
69.61951	0.8
72.04515	9.9
74.02436	1.0
76.04707	1.7
76.05135	52.1
86.09697	0.8
96.67775	0.7
102.05543	5.3
104.61791	0.9
107.18443	0.7
110.99458	0.7
111.37263	0.9
118.05023	21.5
120.06569	4.2
126.05439	0.9
131.09302	2.0
135.07655	1.0
138.78981	0.8
152.05681	100.0
159.08794	1.4
160.07173	39.9
160.08510	1.3
177.09839	84.2
268.19614	1.0
284.09995	9.4
357.57578	1.0
460.24713	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	460.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56912	1.4
56.05040	3.3
61.54003	1.4
63.33747	1.4
67.05528	1.7
70.06569	2.6
72.08154	1.7
74.06084	41.7
80.84678	1.8
81.07076	12.3
85.02881	1.7
88.20926	1.6
91.05511	2.3
93.07045	2.5
98.06036	2.4
101.70517	2.0
102.05561	7.3
109.06519	28.4
111.08101	1.7
112.07645	2.2
114.09150	3.7
119.08463	1.5
120.06578	3.7
124.03925	4.0
130.06525	7.1
132.08086	7.1
137.05984	71.3
146.06013	15.1
159.09187	87.5
164.10701	7.9
170.04472	9.0
170.05896	2.8
182.11754	2.1
185.07150	1.8
188.07077	39.6
192.10223	32.0
205.09692	3.7
210.11261	29.5
238.10759	24.7
256.11853	17.4
277.13284	7.0
295.14407	14.0
312.33160	1.9
313.15317	4.4
341.14966	4.1
359.15790	3.4
374.61032	1.8
396.18930	2.5
414.20197	12.4
424.19101	2.0
442.19724	100.0
442.25912	3.6
460.20615	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	460.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48123	0.3
58.43155	0.3
60.17305	0.3
69.03429	0.8
72.08162	3.6
75.60863	0.3
85.02909	4.9
86.09697	1.8
95.08639	0.4
97.02890	1.5
97.06528	2.6
99.04450	0.6
103.39119	0.3
111.04465	0.4
122.67232	0.4
123.08069	38.9
123.29041	0.4
127.03941	1.5
129.10242	0.8
131.08644	0.3
135.08067	0.5
139.07520	0.4
145.04959	0.4
145.06145	0.4
147.07866	0.6
163.07568	0.4
165.09111	100.0
171.11703	0.5
173.05544	2.8
173.12872	0.6
177.05513	0.7
185.09456	0.5
187.07591	0.5
187.11189	1.5
199.11177	2.9
203.10686	0.8
205.08643	0.8
215.10649	1.5
217.12323	0.6
227.10634	0.6
230.07765	1.4
232.30011	0.3
233.11676	2.5
235.13396	0.6
245.11763	0.8
263.12772	30.4
281.13812	4.4
288.55066	0.4
301.15051	0.8
329.14642	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	460.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	6.0
56.05038	1.3
60.04539	0.9
60.05658	7.3
62.02727	0.8
69.07050	4.4
70.06603	9.0
71.23286	1.0
72.08160	100.0
74.06077	1.6
83.11572	1.2
84.04491	2.1
84.08154	9.4
86.09709	100.0
87.05582	4.2
88.03976	1.8
89.72444	0.9
101.07150	1.3
110.07144	1.7
116.07127	1.2
129.06567	1.4
129.10225	13.9
133.06099	39.4
134.04498	1.7
141.10237	1.5
142.08633	1.2
143.08188	1.6
152.00307	1.0
154.00424	1.1
157.13432	1.3
169.09659	1.7
183.11301	9.8
185.16508	3.9
185.18076	1.0
187.10767	23.7
201.12369	15.0
203.10289	1.6
213.15974	1.1
215.10252	7.1
229.11847	15.3
232.12881	28.9
248.08838	1.6
268.32965	1.2
300.19260	2.1
328.18726	20.0
347.15683	2.2
442.23135	2.3
443.21176	2.4
460.23679	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	460.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03952	0.2
51.76682	0.2
53.69058	0.2
55.01887	0.6
55.05511	2.1
55.99362	0.3
57.03425	0.3
62.12555	0.3
62.59294	0.3
67.05511	3.0
68.34426	0.2
69.03439	0.3
69.07058	1.6
71.16473	0.3
79.05505	1.7
81.03426	0.5
81.07081	2.8
83.04974	0.5
83.08610	0.7
91.05477	1.5
93.07063	2.1
95.04942	1.2
95.08617	2.1
97.06546	0.5
97.10190	0.4
98.21563	0.3
99.04487	0.5
104.45016	0.3
105.07027	2.0
107.08580	1.7
109.10154	2.1
119.08580	1.7
120.33386	0.4
121.10171	1.3
123.07981	0.5
125.09598	1.4
129.07005	0.5
131.08575	0.5
133.10143	2.6
135.11691	0.5
136.06190	100.0
137.04590	0.4
137.09625	1.2
147.11754	0.3
149.09669	0.3
151.11211	1.6
167.10651	0.4
186.68901	0.3
193.12230	0.5
274.16669	1.4
280.26593	0.5
307.22470	1.1
312.22266	0.3
360.20258	3.0
431.77487	0.4
460.29132	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	460.363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	2.7
65.82832	0.3
67.05508	2.4
69.03407	0.3
69.07037	0.5
72.78126	0.3
75.16892	0.3
76.89931	0.3
79.05485	1.3
81.07038	0.7
83.08617	5.1
88.07617	0.4
93.07046	0.8
97.10169	11.8
99.04412	0.4
106.78673	0.3
107.08598	3.5
109.10159	0.8
125.08784	0.5
125.09636	11.1
135.08054	0.7
136.29828	0.3
171.10080	0.4
189.11160	2.2
197.11728	0.8
215.12787	100.0
237.28397	0.3
242.25018	0.4
263.38467	0.3
362.85648	0.3
460.36328	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	460.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.3
55.01868	0.3
55.05521	3.4
59.05007	0.3
67.05518	2.6
67.96345	0.3
69.03430	0.5
69.07076	0.5
75.23077	0.4
75.89468	0.4
79.05479	1.3
81.07037	1.4
83.08626	4.2
88.07597	0.4
93.07032	0.7
97.09615	0.6
97.10178	12.1
101.09621	0.4
104.07120	0.4
107.08589	3.8
109.10152	0.5
111.08097	0.4
112.55599	0.4
119.08544	0.8
119.45376	0.3
125.09634	12.7
129.67168	0.3
135.08041	1.6
135.51067	0.3
143.10605	0.4
147.31400	0.3
153.09111	0.6
171.10179	1.3
189.11198	2.7
197.11668	0.4
215.12788	100.0
217.28537	0.4
242.24786	1.4
245.24365	0.4
262.55847	0.4
313.09857	0.4
412.34299	0.5
460.36392	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	460.363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01333	0.3
55.05511	3.3
55.05724	0.5
61.40966	0.3
62.17515	0.3
65.32416	0.3
67.05470	1.8
69.03407	0.4
69.07042	0.4
73.02884	0.7
79.05470	1.8
81.07024	1.8
83.04952	0.4
83.08628	4.7
85.06510	0.4
87.04458	0.4
88.07587	0.5
93.07002	0.8
97.10168	12.4
101.06009	0.4
107.08609	3.0
123.91886	0.3
125.08784	0.5
125.09634	11.4
135.08046	2.6
153.09056	0.5
171.10031	0.7
189.11201	0.8
197.11632	0.8
215.12781	100.0
216.01111	0.4
242.24800	0.9
257.62375	0.4
374.30548	0.8
460.36340	47.7
464.14023	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	461.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	5.2
57.03440	15.3
57.96875	2.2
67.05516	20.3
69.03455	5.2
69.07067	13.4
71.01369	22.8
73.02926	28.9
79.05480	11.9
81.03413	2.5
81.07064	65.9
83.04984	10.9
83.08611	6.0
83.13789	2.3
85.02912	52.0
85.06499	2.5
87.94115	2.3
91.05489	18.5
92.20989	3.5
93.07044	11.8
95.01360	3.4
95.04929	2.8
95.08608	17.5
97.02899	15.6
97.06567	8.8
99.00807	6.1
99.08110	6.4
101.02390	4.6
103.03941	4.1
105.07054	42.0
107.08604	16.5
109.02894	3.1
111.08102	2.9
113.02375	33.4
119.08587	33.2
121.10138	28.4
123.08059	2.8
123.11700	42.5
127.07555	10.0
129.05438	2.9
131.03407	12.8
133.10085	3.9
137.13278	4.0
141.01865	16.9
143.84334	2.6
147.11691	100.0
157.10136	3.2
159.02904	3.9
165.12781	27.0
175.11298	2.9
193.12257	3.1
215.05556	12.6
215.16824	2.7
215.42297	2.5
229.14381	23.3
229.91182	2.7
267.15970	11.5
285.16962	38.0
287.05399	3.5
293.25653	3.1
299.09119	13.0
309.16898	4.2
361.02240	2.8
408.78937	3.2
425.17685	3.6
461.14230	5.3
461.20224	97.8
489.20270	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	461.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	5.2
57.03440	15.3
57.96875	2.2
67.05516	20.3
69.03455	5.2
69.07067	13.4
71.01369	22.8
73.02926	28.9
79.05480	11.9
81.03413	2.5
81.07064	65.9
83.04984	10.9
83.08611	6.0
83.13789	2.3
85.02912	52.0
85.06499	2.5
87.94115	2.3
91.05489	18.5
92.20989	3.5
93.07044	11.8
95.01360	3.4
95.04929	2.8
95.08608	17.5
97.02899	15.6
97.06567	8.8
99.00807	6.1
99.08110	6.4
101.02390	4.6
103.03941	4.1
105.07054	42.0
107.08604	16.5
109.02894	3.1
111.08102	2.9
113.02375	33.4
119.08587	33.2
121.10138	28.4
123.08059	2.8
123.11700	42.5
127.07555	10.0
129.05438	2.9
131.03407	12.8
133.10085	3.9
137.13278	4.0
141.01865	16.9
143.84334	2.6
147.11691	100.0
157.10136	3.2
159.02904	3.9
165.12781	27.0
175.11298	2.9
193.12257	3.1
215.05556	12.6
215.16824	2.7
215.42297	2.5
229.14381	23.3
229.91182	2.7
267.15970	11.5
285.16962	38.0
287.05399	3.5
293.25653	3.1
299.09119	13.0
309.16898	4.2
361.02240	2.8
408.78937	3.2
425.17685	3.6
461.14230	5.3
461.20224	97.8
489.20270	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	461.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.4
57.33797	0.3
59.91060	0.3
62.75678	0.3
63.04341	0.3
65.89582	0.3
66.39699	0.3
66.46148	0.3
79.05493	0.5
81.07071	0.4
89.23090	0.4
94.61924	0.4
95.08591	0.4
119.76587	0.4
149.02383	0.5
192.25302	0.4
193.04872	0.7
200.12865	0.6
203.31059	0.3
318.07581	6.4
332.09128	2.9
333.09958	5.7
349.23651	0.6
357.59195	0.4
404.18365	1.4
416.18658	1.5
432.18164	2.0
433.21338	0.4
443.19547	0.7
444.17801	0.7
461.20718	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.2
55.02132	0.3
55.05515	3.0
57.07070	0.5
61.02905	0.6
67.05499	2.1
69.00639	0.4
69.03426	4.9
69.07072	7.9
69.46822	0.4
71.04995	3.0
73.02943	0.5
74.06105	0.7
79.05482	2.1
81.03445	3.1
81.06619	0.5
81.07066	11.6
83.08626	6.4
85.02435	0.5
85.02913	12.4
85.06531	2.3
87.00832	5.9
88.75629	0.4
91.05468	0.9
93.07040	6.4
95.04954	0.7
95.08612	26.8
97.02899	5.6
97.10169	6.5
99.04440	1.7
99.08102	17.6
105.01863	7.7
105.07023	0.8
107.08605	29.0
109.02856	2.9
109.06529	0.4
109.10170	8.3
111.04433	0.5
111.08079	7.1
111.11657	0.6
113.09638	1.8
114.09155	2.0
121.10145	55.8
123.08054	0.5
123.11700	2.6
125.09641	6.8
125.13254	0.5
127.03922	7.7
129.01782	0.6
133.10164	0.4
135.11700	10.5
137.05954	0.8
137.13278	10.1
138.06288	0.5
139.11192	0.9
145.04944	2.0
145.10205	0.5
147.11708	0.5
149.13237	5.4
159.02924	1.8
159.09196	0.6
174.86772	0.5
177.16388	100.0
195.17451	20.0
213.18495	36.3
231.04999	2.2
249.06027	1.0
257.04269	0.5
258.04269	0.4
285.18149	0.5
299.36951	0.4
331.39142	0.5
372.24512	0.4
425.21686	0.7
443.20114	1.0
457.66678	0.5
461.34567	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87600	0.5
56.05053	1.1
60.04541	0.6
62.62126	0.6
69.07057	4.5
70.06611	1.2
74.06080	11.8
84.04517	2.4
84.08163	2.3
86.09710	100.0
101.07156	2.4
105.26465	0.6
109.10192	0.6
120.08084	0.8
129.06604	7.3
129.10278	0.9
132.10249	1.3
138.06242	0.6
144.06587	0.7
145.06090	0.9
145.09747	4.0
153.06654	0.7
156.10313	0.8
166.97093	0.6
171.07631	15.8
173.12744	0.7
189.08685	13.9
201.12354	6.6
217.08200	12.3
245.18579	13.6
264.13229	0.7
278.67419	0.6
302.17068	2.8
330.16565	17.8
337.96390	0.6
393.26340	0.6
443.24973	1.1
461.24625	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	461.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98749	0.3
53.03942	0.6
55.01875	0.4
56.05038	1.0
57.03443	0.4
57.62768	0.4
58.99047	0.5
60.05653	2.1
67.05508	1.8
67.76615	0.5
69.03439	1.1
69.07077	0.9
70.06587	2.1
71.04984	0.6
72.04523	3.8
72.08153	3.6
74.02443	1.0
74.06081	2.1
76.05133	19.1
79.05493	0.5
80.05031	0.5
81.03426	22.2
81.07049	1.9
83.04974	0.6
83.08613	8.4
84.04502	1.8
84.08136	2.4
85.02922	3.1
85.06511	0.4
86.09705	19.2
87.00826	0.5
87.10029	0.7
91.05482	2.1
93.07061	0.8
95.04962	8.9
96.05618	11.6
97.02885	1.0
97.06405	2.8
98.07170	0.6
101.07165	0.7
102.05536	2.2
105.01904	1.5
105.07060	1.0
107.04944	1.0
107.08599	0.6
109.06549	0.5
109.10176	0.7
111.04420	0.8
111.08067	3.7
112.80627	0.5
116.08224	0.5
118.05006	8.9
119.08576	2.3
120.06539	0.7
120.08096	0.4
121.10175	0.8
127.03941	0.9
128.04262	0.5
128.67796	0.5
129.07027	2.2
129.10291	0.9
130.05090	0.4
131.08559	2.6
131.09390	0.6
133.10127	0.9
135.07700	0.6
136.07640	0.7
142.12294	0.6
145.02737	0.7
145.05002	0.5
146.03175	0.6
147.11644	3.9
149.09674	1.0
157.10109	5.6
159.08791	0.7
160.07166	14.6
169.18428	0.5
170.13094	0.5
173.12941	0.6
175.11153	6.9
177.05519	3.6
177.09813	12.0
178.05867	3.5
187.14386	2.4
193.12238	19.7
195.06476	0.5
196.06911	0.8
197.12962	0.7
201.12318	2.2
211.13319	2.0
215.13910	2.1
232.14406	1.0
243.13425	0.5
247.12843	0.7
267.15921	2.4
313.11160	0.5
330.36383	0.5
342.20334	1.0
360.21271	7.7
372.22906	0.6
416.24240	0.6
461.13474	2.1
461.26019	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	461.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05041	3.8
56.65583	0.6
67.05502	3.9
68.74674	0.6
69.07047	0.9
70.02953	8.7
70.06588	0.7
71.05006	1.3
72.04514	1.3
74.02448	0.7
74.06075	0.8
81.07059	1.5
86.47018	0.7
87.05601	11.2
88.03982	0.9
91.05459	1.4
91.79876	0.6
93.07042	1.6
95.04976	0.8
95.08601	3.7
96.05597	3.8
99.04469	1.1
102.05537	1.2
108.04482	1.3
109.10155	11.4
110.07177	1.3
111.07943	1.4
114.09167	2.6
116.07180	0.6
116.08178	1.4
119.08565	4.8
128.08174	1.0
133.06099	3.5
136.11214	1.2
137.09625	16.0
154.04985	1.1
154.12277	8.6
155.10703	1.5
164.10703	4.2
166.12283	3.9
169.12141	1.0
172.13306	19.0
172.14775	0.8
173.11757	5.0
178.12256	3.0
180.13808	23.1
182.11798	2.8
184.13339	5.6
188.10736	1.6
198.14961	2.7
206.11761	52.8
210.11308	7.3
215.11397	1.3
216.54643	0.7
223.14421	3.1
224.12807	40.4
226.14363	1.4
228.12300	5.1
234.11414	0.8
241.15485	8.2
242.13834	7.7
243.17068	0.7
252.12267	3.7
269.14874	1.0
287.15997	100.0
328.22363	1.4
335.11084	0.9
345.08710	0.8
429.27164	6.2
461.29001	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	461.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05041	3.8
56.65583	0.6
67.05502	3.9
68.74674	0.6
69.07047	0.9
70.02953	8.7
70.06588	0.7
71.05006	1.3
72.04514	1.3
74.02448	0.7
74.06075	0.8
81.07059	1.5
86.47018	0.7
87.05601	11.2
88.03982	0.9
91.05459	1.4
91.79876	0.6
93.07042	1.6
95.04976	0.8
95.08601	3.7
96.05597	3.8
99.04469	1.1
102.05537	1.2
108.04482	1.3
109.10155	11.4
110.07177	1.3
111.07943	1.4
114.09167	2.6
116.07180	0.6
116.08178	1.4
119.08565	4.8
128.08174	1.0
133.06099	3.5
136.11214	1.2
137.09625	16.0
154.04985	1.1
154.12277	8.6
155.10703	1.5
164.10703	4.2
166.12283	3.9
169.12141	1.0
172.13306	19.0
172.14775	0.8
173.11757	5.0
178.12256	3.0
180.13808	23.1
182.11798	2.8
184.13339	5.6
188.10736	1.6
198.14961	2.7
206.11761	52.8
210.11308	7.3
215.11397	1.3
216.54643	0.7
223.14421	3.1
224.12807	40.4
226.14363	1.4
228.12300	5.1
234.11414	0.8
241.15485	8.2
242.13834	7.7
243.17068	0.7
252.12267	3.7
269.14874	1.0
287.15997	100.0
328.22363	1.4
335.11084	0.9
345.08710	0.8
429.27164	6.2
461.29001	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	461.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.9
55.05505	4.2
55.23415	0.8
60.04528	10.4
62.82247	0.8
66.33273	0.8
67.05515	2.3
69.07069	2.2
70.02956	11.6
71.01276	0.9
72.04510	2.5
72.08138	1.2
79.05490	1.7
81.03426	7.0
81.07058	1.9
83.04951	1.6
83.08643	9.8
83.53755	0.9
87.05613	1.5
88.03998	7.8
91.05448	1.6
93.07036	3.8
95.04989	7.0
95.08603	4.3
97.10168	4.3
101.07157	1.4
105.07059	1.4
107.08578	4.3
109.10155	1.1
111.04459	3.9
111.08084	1.9
112.03953	4.2
116.03448	54.5
119.08569	1.6
121.10113	3.9
123.08013	1.2
125.09612	4.4
129.06598	48.6
130.05009	1.3
131.08540	1.2
133.06104	5.9
135.11691	4.2
145.10144	1.5
147.08034	1.2
147.11685	4.0
149.09642	4.0
153.12732	6.0
157.06096	5.7
157.10147	1.9
158.04474	19.3
159.09218	1.3
163.11131	4.9
175.07141	100.0
175.11169	2.1
181.12234	2.2
189.11263	2.4
191.10681	1.7
193.12268	7.9
194.11481	1.1
198.11469	1.0
211.13237	12.1
223.13141	1.5
227.12798	1.2
257.14868	1.5
275.15982	5.8
275.19995	4.1
293.21069	25.8
311.22168	47.9
431.95358	1.2
461.28668	42.8
461.97562	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	461.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82784	1.0
55.05523	2.4
57.68382	0.9
67.05508	5.5
69.07085	11.8
73.27002	0.9
79.05522	1.7
81.07063	14.7
83.08626	2.1
91.05476	2.0
92.21294	1.9
93.07040	9.8
95.08615	22.7
105.07027	14.5
107.08587	18.6
109.10152	17.6
116.71952	1.2
117.07041	4.3
119.08585	31.7
121.10149	15.6
123.11733	5.1
129.07062	1.3
131.08560	8.3
133.10143	12.5
135.11708	5.6
141.91089	1.0
143.08592	6.3
144.09361	1.2
145.10123	20.2
147.11674	14.4
149.13268	5.7
155.08534	2.2
157.10118	16.6
159.11703	15.5
161.13246	7.8
163.14888	2.4
167.08617	1.7
169.10127	7.1
170.10866	1.1
171.11696	17.6
173.13258	15.4
175.14801	10.4
181.10059	2.5
183.11717	10.3
185.13281	10.2
187.14868	6.4
189.16441	2.1
195.11729	6.4
197.13258	6.5
199.14879	11.6
201.16463	2.3
207.11699	1.3
209.13264	6.5
211.14920	7.7
213.16454	13.4
215.18085	1.8
221.13303	4.4
223.14851	6.7
225.16409	6.6
227.17993	8.8
229.19722	1.3
235.14793	7.2
237.16310	11.1
239.17946	7.9
241.19580	7.7
247.14925	1.5
249.16321	3.9
251.18031	6.5
253.19537	5.6
263.18005	2.0
265.19562	7.6
267.21130	5.4
269.22736	1.1
275.17679	1.5
277.19568	6.1
279.20987	9.4
289.19708	2.4
291.21167	4.8
293.22623	2.1
305.22580	4.9
317.22794	2.1
319.24155	5.3
331.24200	2.3
332.25336	1.5
345.25854	5.2
401.32031	64.4
405.27957	5.0
419.33273	1.3
445.82352	1.0
461.34143	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22921	3.5
55.05515	24.6
57.07077	47.9
61.61556	3.7
63.89589	4.2
66.62112	3.5
67.05476	3.8
68.19349	3.7
69.07075	48.2
71.08633	37.6
81.07059	56.5
83.08620	32.5
85.10180	21.5
93.07050	7.7
95.08607	56.5
97.10177	25.2
107.08599	7.8
109.10155	29.1
110.48678	4.5
111.04533	4.4
111.11714	7.3
121.10130	7.9
123.11691	8.9
125.05997	4.6
127.03899	24.5
133.06500	5.8
135.08101	4.7
135.11725	6.7
137.05978	100.0
137.13300	5.6
145.10144	5.0
151.07590	25.9
159.11710	31.8
173.09596	63.0
173.13225	5.3
175.11208	4.7
177.09119	16.7
177.12726	5.5
187.11182	64.1
190.60281	4.0
191.10728	10.0
205.12253	25.2
219.13655	5.5
225.16360	5.3
229.12248	5.9
263.48917	4.8
278.94589	5.6
285.25519	4.5
317.32074	6.2
335.32925	17.7
383.33145	47.7
397.34674	10.0
401.33997	54.8
406.87469	4.5
425.34076	23.4
443.35178	82.7
461.35568	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	462.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24578	0.2
58.97871	0.2
67.11115	0.2
86.92249	0.2
87.98057	0.3
89.03912	1.2
92.21569	0.4
112.93155	0.2
113.37669	0.2
117.03374	3.8
138.10092	0.3
145.02846	40.1
149.05969	2.6
177.05461	100.0
186.05397	0.4
191.11792	0.3
269.10132	1.4
313.84915	0.3
353.08661	1.6
358.44693	0.3
384.39236	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	462.1907
Annotation	Trp Glu Gln
Peak:m/z	Relative Intensity
53.16722	0.2
60.93102	0.2
69.13814	0.3
72.38142	0.3
149.80972	0.4
160.30569	0.3
279.44714	0.3
305.10831	0.4
318.07599	6.5
332.09155	3.2
333.09961	7.7
404.18341	1.1
416.18604	0.4
432.18008	0.6
434.19443	0.7
444.17923	0.5
462.19089	100.0
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
53.83685	0.2
55.01880	0.3
57.03430	0.2
57.59023	0.2
61.34125	0.2
64.46309	0.2
69.03416	1.8
79.05492	0.6
85.02910	1.1
86.09718	0.6
87.04475	1.8
88.17020	0.3
90.64024	0.2
97.02872	1.3
105.07036	12.6
107.04842	0.3
115.03919	2.0
116.29173	0.3
131.04973	0.3
133.06490	100.0
150.07597	1.1
222.41908	0.3
295.10052	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	462.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60128	0.6
62.86071	0.6
66.82230	0.7
69.03407	0.7
72.67764	0.6
78.71122	0.6
81.03461	0.8
107.04955	44.4
121.06495	3.5
137.05978	6.2
143.04924	8.6
145.06480	4.8
151.07600	1.5
160.13565	0.7
160.19261	0.7
175.07504	6.8
180.10229	1.5
192.10197	10.9
196.18262	0.7
206.11617	0.7
209.09569	1.7
221.39409	0.7
237.09032	6.9
269.11728	24.0
300.15936	93.6
320.02539	0.7
462.21143	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	462.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58773	0.8
70.06590	0.8
72.08162	1.0
84.08129	0.7
85.02934	1.4
86.09707	1.4
89.03907	0.8
107.04252	1.8
107.04963	45.0
107.16394	0.8
117.03372	2.8
121.06512	3.5
127.03880	1.7
131.79637	0.8
133.06496	0.9
137.05986	9.2
139.04012	0.7
143.04926	12.0
145.02850	35.4
145.06503	5.9
149.06046	0.9
151.07533	1.3
175.07544	5.4
177.05470	76.9
180.10237	3.7
192.10226	10.6
197.09464	0.9
209.09612	1.8
237.09132	6.5
254.75232	0.8
269.11749	25.2
300.15948	100.0
353.08813	1.2
462.21173	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	462.2332
Annotation	Pimozide
Peak:m/z	Relative Intensity
55.05503	0.7
56.16050	0.8
60.04519	0.8
62.09950	0.8
67.05486	1.1
69.03421	5.8
70.06591	2.0
71.05008	1.2
72.08155	1.9
73.08500	1.0
74.06079	1.0
79.05490	1.9
81.03433	1.0
81.07045	1.2
83.04969	1.1
84.08144	2.2
85.02908	5.7
86.09700	4.8
89.06023	7.4
89.34338	0.8
93.07040	3.4
95.04971	7.5
95.08605	3.6
97.02890	3.5
99.04500	1.1
105.07034	5.7
107.05039	1.0
107.08562	2.1
109.02905	1.3
109.05875	1.0
109.06477	6.2
111.04430	5.3
111.08060	1.4
113.05972	2.0
119.08609	8.0
120.08095	1.0
121.06486	6.2
123.08061	4.4
127.03828	1.0
129.10231	4.3
131.08563	3.6
133.06454	1.3
133.08620	3.2
133.10135	1.2
135.08051	13.8
137.09613	5.6
139.03871	0.9
139.07542	3.8
143.08533	1.0
145.10114	5.3
147.08026	5.1
147.11705	1.6
149.06010	1.1
149.09639	1.4
151.07524	1.2
157.10130	4.4
159.08043	8.4
159.11745	6.4
161.09610	9.2
165.09117	6.5
171.08046	1.3
171.11690	2.0
172.08855	0.9
173.09601	6.7
173.13161	3.9
175.07539	13.0
175.11118	7.1
181.10042	1.0
183.11722	1.4
185.09526	1.5
187.07498	1.2
187.11183	11.6
189.09018	2.2
189.12730	3.6
193.08585	1.9
196.08740	1.4
196.74940	0.9
199.11212	6.0
201.12695	10.8
203.10649	12.4
205.12256	1.5
211.11185	6.4
217.12212	5.7
219.13875	1.1
229.10207	1.0
229.12155	8.5
235.13376	1.3
236.77667	0.9
239.99533	0.9
247.09441	0.9
247.13275	16.6
265.14325	100.0
283.17502	6.1
462.25314	1.0
474.95328	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	463.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.62885	0.1
60.48028	0.1
69.03403	0.3
69.07059	0.2
70.06606	0.1
72.08139	0.2
81.03415	0.3
81.07059	0.1
85.02898	0.6
96.08110	0.2
104.12497	0.1
109.02868	0.6
109.10233	0.2
114.09158	3.1
115.09476	0.6
127.03899	0.7
138.06407	0.1
153.38971	0.1
163.31873	0.1
209.16391	0.3
226.19086	0.2
227.17726	0.2
228.15814	0.3
258.05099	0.3
286.04706	9.0
301.07053	100.0
336.12152	0.2
341.42511	0.1
462.85132	0.9
463.12305	7.7
463.34656	0.4
483.79892	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	463.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.2
57.03438	0.4
58.46202	0.2
58.81257	0.2
61.02920	1.1
69.03433	1.9
71.04998	0.3
79.20544	0.3
79.59066	0.3
81.03404	0.6
81.07043	0.3
84.83045	0.2
85.02417	0.5
85.02908	6.9
86.09723	0.4
89.66059	0.2
95.08570	0.4
97.02909	2.2
99.34418	0.3
107.08585	0.4
109.02873	0.6
113.00011	0.5
120.08102	2.0
121.02900	0.3
127.03941	1.3
127.78097	0.3
130.05040	0.5
133.62463	0.3
137.13223	0.3
145.04962	0.6
147.04469	0.3
155.52531	0.2
167.07031	13.7
170.76283	0.3
174.67354	0.3
213.86703	0.3
217.36150	0.3
277.21683	0.3
286.04694	0.6
301.07077	100.0
351.25391	1.7
408.48212	0.3
463.12173	0.6
463.28253	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	463.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.2
57.03445	0.5
61.02929	0.5
69.03431	2.3
73.02921	0.3
80.20764	0.2
80.25603	0.2
81.03436	0.9
85.02908	6.7
87.04489	0.2
91.03967	0.2
97.02894	2.1
109.02879	0.4
127.03915	1.0
137.05994	0.4
145.05016	0.3
146.75591	0.2
149.18839	0.2
167.03464	0.4
179.74977	0.2
181.92166	0.2
235.64372	0.2
258.05096	0.2
268.55994	0.2
283.47382	0.2
286.04712	1.0
301.07065	100.0
311.60587	0.3
353.75043	0.2
361.88382	0.3
415.44540	0.2
463.11731	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	463.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71651	0.1
56.63868	0.2
58.73814	0.1
68.33250	0.2
69.20277	0.2
76.82843	0.2
77.27864	0.2
80.25534	0.2
80.64817	0.2
81.44106	0.2
85.02911	0.4
86.09672	0.4
93.40865	0.2
97.34481	0.2
121.02841	0.3
133.10141	0.2
162.58133	0.2
167.03325	0.2
286.04599	1.0
301.07059	100.0
463.12314	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	463.1234
Annotation	Peonidin-3-O-beta-galactopyranoside
Peak:m/z	Relative Intensity
53.04543	0.2
55.01876	0.3
57.03432	0.4
60.18523	0.2
61.02922	1.5
61.58084	0.3
69.03427	1.8
73.67270	0.3
74.30400	0.3
81.03413	1.2
85.02905	6.4
91.03947	0.3
97.02889	1.9
99.04431	0.3
109.02859	0.4
112.83167	0.3
121.02843	0.4
127.03899	1.6
136.06165	1.8
137.06659	0.3
142.23492	0.3
145.04910	0.4
161.40619	0.3
161.49898	0.3
179.03325	0.3
185.62181	0.3
205.31622	0.3
286.04721	0.4
301.07071	100.0
344.17944	0.3
377.52521	0.3
438.87079	0.3
463.27499	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	463.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03397	0.1
69.12631	0.1
69.92520	0.1
70.06605	1.0
76.39476	0.1
82.70900	0.1
85.02892	0.8
86.09711	1.0
95.08591	0.1
108.30817	0.1
108.81151	0.1
114.09119	0.1
116.07027	0.2
120.08102	0.1
121.02848	0.5
157.09677	0.4
167.03418	0.5
179.03387	0.2
183.14864	0.1
185.09384	0.1
207.11331	0.2
258.05237	0.3
264.23468	0.1
272.06812	0.2
286.04672	1.7
301.07059	100.0
312.31534	0.1
336.12088	0.2
343.08112	0.2
463.12347	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	463.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30537	0.1
53.71185	0.1
57.05383	0.1
69.03442	0.1
70.06589	0.4
72.08164	0.1
73.36784	0.1
84.04520	0.1
85.02901	0.2
86.09705	0.3
87.05594	0.1
88.35691	0.1
95.08568	0.1
110.07156	0.4
121.06514	0.1
121.10134	0.1
125.09530	0.1
127.03989	0.1
129.10207	0.1
134.03618	0.2
136.07564	0.5
149.02370	0.2
153.01833	2.0
158.05994	0.2
175.08672	0.2
176.11464	0.1
196.09720	0.1
213.05466	0.1
229.04851	0.1
230.05688	0.2
241.04955	3.4
245.08109	0.5
258.05258	0.2
269.04440	9.5
273.07571	0.4
283.09402	0.1
286.02228	0.2
286.04712	10.1
301.07059	100.0
463.11993	1.9
463.21561	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	463.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30537	0.1
53.71185	0.1
57.05383	0.1
69.03442	0.1
70.06589	0.4
72.08164	0.1
73.36784	0.1
84.04520	0.1
85.02901	0.2
86.09705	0.3
87.05594	0.1
88.35691	0.1
95.08568	0.1
110.07156	0.4
121.06514	0.1
121.10134	0.1
125.09530	0.1
127.03989	0.1
129.10207	0.1
134.03618	0.2
136.07564	0.5
149.02370	0.2
153.01833	2.0
158.05994	0.2
175.08672	0.2
176.11464	0.1
196.09720	0.1
213.05466	0.1
229.04851	0.1
230.05688	0.2
241.04955	3.4
245.08109	0.5
258.05258	0.2
269.04440	9.5
273.07571	0.4
283.09402	0.1
286.02228	0.2
286.04712	10.1
301.07059	100.0
463.11993	1.9
463.21561	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	463.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
65.59004	0.3
73.75063	0.3
77.46507	0.3
78.04719	0.4
96.45861	0.3
99.58620	0.3
105.03329	0.4
106.04181	0.8
107.04959	0.5
123.04433	2.0
130.74916	0.3
134.03632	1.5
147.04437	3.9
152.04678	4.2
160.93579	0.3
163.03920	1.6
167.07037	100.0
179.07047	1.1
183.42062	0.3
191.07034	3.3
207.06531	0.6
241.08594	1.5
269.08136	2.2
270.08810	0.5
273.11215	1.6
279.75500	0.4
285.07556	0.6
286.08289	1.2
301.07117	3.9
301.10666	30.4
303.63623	0.4
351.25327	1.2
401.05225	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	463.1595
Annotation	4,2'-Dihydroxy-4',6'-dimethoxychalcone 4-glucoside
Peak:m/z	Relative Intensity
67.05525	0.6
70.35814	0.3
71.08630	1.1
79.05492	1.2
80.29830	0.3
81.07056	0.5
83.08604	0.4
85.02888	0.4
91.05475	0.3
92.20941	0.4
93.07048	0.7
95.08604	0.6
95.31756	0.3
105.03394	0.4
106.04144	0.4
107.04975	0.4
109.10149	0.5
111.08047	0.4
112.99966	0.5
116.08227	1.7
119.08570	0.4
123.04415	2.6
123.11700	0.3
129.19298	0.3
133.10188	0.4
134.03616	1.9
135.04384	0.4
136.06171	2.3
142.72360	0.3
147.04446	2.6
152.04675	4.6
160.07138	0.6
163.03909	1.9
167.07021	100.0
179.07019	0.5
191.07062	3.8
207.06596	0.7
227.07007	0.4
241.08566	1.7
269.08038	2.2
269.95911	0.3
270.08829	1.8
273.11234	0.7
277.21600	0.5
301.07053	8.9
301.10678	30.4
351.25339	4.3
463.30072	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	463.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	0.4
57.38098	0.3
57.46267	0.3
64.39301	0.3
70.06600	0.6
74.06084	0.3
76.02227	2.1
77.69000	0.3
81.03423	3.9
81.07074	0.4
83.08627	1.4
84.08126	0.3
89.32581	0.3
92.86160	0.3
95.04940	0.7
116.07097	0.4
119.08572	0.4
120.08105	0.5
131.08435	0.4
147.11737	0.4
162.02205	1.8
166.61440	0.4
168.00374	0.4
171.37198	0.3
175.11171	0.5
179.04813	4.4
193.12282	2.5
243.14571	0.4
253.08647	2.1
267.15802	0.5
285.17056	2.6
289.31573	0.4
301.07089	0.4
317.08621	0.4
331.17111	0.7
445.19720	0.4
463.21515	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69028	1.2
55.01886	2.8
55.05513	8.6
57.03432	2.9
57.07087	2.2
67.05512	27.6
69.07074	9.5
71.08638	26.3
73.16560	1.3
79.05489	14.8
81.03442	3.1
81.07065	23.5
83.04977	2.2
83.08616	6.8
85.06525	1.7
85.10198	1.6
91.05494	12.3
93.07052	25.0
95.04991	7.9
95.08616	19.1
97.06542	2.3
97.10162	6.8
99.08097	15.5
104.22460	1.4
105.07037	10.9
107.04926	2.3
107.08598	17.3
109.06531	1.7
109.10139	11.9
111.08082	2.7
113.00017	65.2
113.09663	2.3
117.07058	1.9
119.08583	7.1
121.10136	8.0
121.64458	1.6
123.11681	2.4
125.09628	6.2
131.08574	3.0
133.10106	9.6
135.07986	2.3
135.11699	8.8
136.06207	3.4
137.09705	1.8
145.10146	6.1
147.11690	9.4
149.13286	2.5
151.11200	16.6
161.13290	11.2
163.11137	2.8
165.12788	3.4
167.52106	1.4
169.02617	28.6
175.14845	2.2
179.14285	8.5
185.13251	2.0
187.03687	2.2
227.12846	3.1
241.19501	3.7
242.63496	1.7
259.20560	9.7
277.18936	1.9
277.21655	30.3
320.09198	6.1
321.09482	6.9
351.25290	100.0
356.49188	1.8
363.15649	2.1
445.23248	14.0
463.28259	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	463.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52287	0.7
55.05506	5.1
57.03437	4.9
57.07080	1.0
67.05512	14.6
69.07076	6.8
71.08633	30.7
72.50336	0.9
74.94038	0.9
76.05133	4.7
76.07652	1.6
78.18542	0.9
79.05502	18.2
79.25755	1.0
81.03409	1.0
81.07059	21.5
83.04984	1.4
83.08625	6.4
91.05468	11.8
93.07043	21.8
95.04957	4.0
95.08598	17.5
97.06500	4.9
97.10149	2.3
99.08087	18.0
105.07040	12.0
107.04971	4.2
107.08598	14.4
109.06581	1.1
109.10142	6.8
110.17529	1.0
113.00007	18.6
117.07019	1.7
119.08588	7.6
121.10133	12.5
131.08575	2.3
133.10127	10.5
135.11693	16.2
137.09589	2.3
139.77434	1.0
143.08586	1.3
145.10138	2.2
147.11670	3.7
149.13269	4.4
149.82066	1.1
151.11151	11.4
159.11722	1.2
161.13225	9.1
163.11148	4.5
167.10699	1.9
168.13799	1.6
169.02585	6.1
179.14291	29.5
202.24529	1.1
277.21655	18.5
305.37442	1.1
337.12582	2.2
351.25308	100.0
353.30908	1.2
401.43735	1.1
441.44498	1.0
444.14850	0.9
445.23361	5.1
445.45438	1.0
463.30637	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	463.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08456	1.3
55.05520	7.0
57.03440	3.2
57.07076	1.4
67.05510	17.2
69.07077	12.1
71.08636	29.4
79.05495	15.7
81.03419	10.2
81.07058	25.8
83.05024	1.9
83.08633	5.9
88.80511	1.5
91.05482	8.8
91.76067	1.3
93.07064	19.3
95.04974	7.8
95.08611	17.3
97.10160	2.1
99.08090	17.6
99.56725	1.4
105.07034	8.3
107.08601	10.0
109.10165	6.9
111.08093	2.3
113.00027	49.2
117.07021	2.0
119.08561	7.4
121.10175	10.5
123.11725	2.1
125.09633	2.5
133.10150	9.6
135.11711	3.3
143.77191	1.5
145.10056	2.1
147.11665	3.4
149.13235	2.4
151.11195	21.9
153.12737	2.8
161.13254	7.2
163.11205	3.1
169.02625	20.3
179.14261	12.2
185.13210	1.8
187.03688	3.5
198.03052	1.4
231.21030	1.9
259.20538	2.6
277.21616	24.1
311.47189	1.5
347.16241	2.0
351.25290	100.0
389.77661	1.7
445.23654	16.4
463.23682	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	463.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32681	0.5
56.05046	15.2
56.76687	0.5
58.04081	0.7
60.04536	0.6
60.05659	0.9
64.16931	0.6
67.05502	1.4
69.04560	0.6
69.07076	1.1
70.06598	2.7
72.04510	4.8
72.08157	1.3
74.02439	2.4
74.06075	5.4
76.05135	15.4
77.47179	0.6
81.07056	3.9
83.05016	0.8
84.08138	1.0
84.82805	0.6
86.07198	0.8
86.09721	2.5
86.75090	0.7
88.41806	0.6
88.89198	0.6
91.05483	0.9
93.07056	3.1
95.08631	0.7
96.05618	13.7
97.06551	0.8
97.10213	0.5
102.05555	3.6
104.89355	0.6
107.08600	0.9
108.05595	0.9
109.10091	0.7
109.66147	0.6
110.07188	1.5
114.06688	3.8
115.07424	0.8
116.07092	1.1
116.08244	4.8
118.05007	7.1
119.08587	0.8
120.06612	3.3
120.08125	2.4
121.10132	1.2
122.07115	0.8
124.05100	0.9
128.08231	0.8
131.08560	0.9
135.07689	0.7
135.11664	0.6
136.07611	0.7
136.55182	0.6
138.12802	1.4
139.11133	0.6
149.13263	1.0
150.09100	0.6
154.12306	0.7
160.07161	10.1
164.02608	0.7
168.13733	1.1
170.12904	1.2
177.09821	6.7
177.12814	0.6
179.05019	0.7
184.13303	0.8
187.46481	0.7
194.15446	0.8
206.16595	0.9
210.14896	1.3
217.11819	0.7
220.14534	1.3
234.15967	8.0
238.15649	0.8
247.42249	0.6
249.45618	0.7
252.17195	3.6
258.17075	2.6
270.18246	2.4
326.20709	4.2
330.20126	4.7
336.19092	0.8
344.21729	11.4
344.28500	0.6
362.22879	4.6
410.22836	0.7
418.25351	0.9
431.20828	7.8
445.26636	13.2
463.27649	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	463.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.7
56.05044	18.8
58.06594	0.4
67.05518	3.1
68.05056	0.4
70.02952	0.5
70.06600	2.9
72.04521	11.7
72.08157	0.8
74.02450	2.3
74.06091	6.1
76.05123	10.6
78.48707	0.5
78.95416	0.5
79.05508	1.3
80.05020	0.8
81.03423	1.0
81.07075	3.6
82.06617	0.7
83.08633	1.3
84.04527	1.2
84.08141	0.9
86.03554	2.3
86.09707	5.4
87.07990	0.6
89.04828	0.7
89.07155	0.7
91.05488	1.0
93.07057	3.4
95.08640	0.8
96.05634	2.9
97.02924	0.6
100.57835	0.5
102.05574	1.2
105.07037	0.6
107.08643	0.9
108.14064	0.6
109.10213	0.7
110.07207	0.9
112.05096	0.8
116.08207	4.4
117.06634	2.8
118.05016	13.5
119.08620	0.7
120.06573	10.2
121.10179	2.7
129.10265	0.9
131.00066	0.6
131.08568	0.8
133.10135	1.0
135.07660	12.1
135.11780	0.9
136.04965	0.5
138.05531	0.8
138.12827	3.1
147.11728	0.6
149.13306	2.3
159.11751	1.3
160.07161	8.7
166.12267	0.6
168.13890	3.4
177.09834	7.7
177.12785	0.7
180.15039	1.3
191.15474	0.6
195.13943	2.2
207.14886	0.7
208.14577	2.4
209.16544	2.9
210.14827	0.6
226.15413	0.9
234.16081	2.9
237.15997	1.0
242.17691	0.7
243.16081	2.3
252.17065	4.6
260.18637	1.1
269.17422	1.1
270.18201	0.9
318.20410	1.1
326.20700	1.0
328.22424	0.7
336.19293	1.0
344.21741	13.6
348.12555	1.0
354.20337	0.9
362.22662	4.5
374.22888	0.6
410.22546	0.7
428.23981	4.2
431.25223	1.0
445.21893	1.0
445.26715	6.8
446.78287	0.7
463.27811	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28675	0.6
51.35807	0.5
53.12566	0.5
54.22444	0.7
55.05525	2.5
55.23072	0.5
56.05041	5.4
58.58986	0.5
60.74060	0.6
61.89127	0.6
63.64263	0.6
67.05504	1.2
67.96276	0.6
69.04555	1.4
69.07090	0.9
70.02950	0.8
70.06593	0.8
71.05012	0.8
72.04516	3.4
74.02434	1.0
74.06074	5.4
76.05145	4.8
79.05489	1.4
80.56457	0.6
81.07068	1.4
83.08603	1.0
92.20948	0.7
93.07043	1.0
95.08640	0.7
96.05621	28.3
97.10171	0.9
102.05540	1.2
107.08635	1.5
108.05591	3.1
109.10165	1.6
110.07182	3.9
116.08212	5.3
118.05027	3.1
119.08565	0.9
120.06580	3.2
121.10151	1.0
122.07140	0.9
124.11224	5.0
125.09650	0.7
126.12843	0.8
128.08199	3.8
133.10103	1.0
135.07684	3.2
135.11664	4.5
142.09833	0.8
142.26909	0.7
145.10150	1.0
150.10460	0.6
150.12766	0.9
152.10736	0.9
154.12282	0.8
159.79723	0.8
160.07170	2.9
166.12347	0.7
170.11722	1.0
177.09831	1.3
178.12305	0.9
184.14340	0.7
192.14973	3.6
215.88591	0.7
220.14432	16.9
234.16008	1.2
238.15457	7.0
244.15488	1.1
255.16054	2.5
256.16504	1.1
269.24472	0.6
272.18570	1.5
309.11478	0.8
312.19125	3.9
314.20801	2.6
322.17477	0.9
330.20178	31.7
334.30618	0.7
344.21860	3.7
362.22998	1.5
386.22702	2.6
414.22214	1.1
431.25009	24.6
445.26669	2.7
449.44962	0.7
463.27637	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26854	0.5
56.05040	6.7
60.05654	0.8
67.05526	0.9
69.07041	0.9
70.06601	0.7
71.23029	0.6
72.04516	4.9
74.02430	1.3
74.06083	5.1
76.05129	16.3
78.60652	0.6
79.05465	1.2
81.07051	1.4
86.07204	0.8
91.03468	0.6
93.07037	2.8
95.08617	1.2
96.05616	15.5
97.06535	0.8
102.05559	2.9
104.04614	0.7
108.05600	1.0
110.07179	1.4
114.06655	3.2
115.07468	1.0
116.08208	5.9
117.06721	0.6
118.05004	9.3
120.06570	4.6
121.10151	1.4
122.07135	0.8
128.08165	1.0
135.07703	1.2
138.12767	4.7
149.13246	0.8
157.45607	0.6
159.08762	0.7
159.11732	0.8
160.07170	10.6
168.13893	2.6
170.12770	0.7
177.09802	9.0
206.16527	2.9
210.14882	3.1
234.15950	9.0
252.17041	2.4
258.17014	1.2
268.19312	0.8
269.17422	1.3
270.18246	0.7
276.18121	0.9
286.20090	0.9
326.20612	3.0
328.22305	1.0
330.20422	1.3
344.21762	19.6
362.22815	7.8
377.23087	1.3
418.25775	1.2
431.24811	1.3
445.26556	14.8
463.27628	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3031
Annotation	ponasterone A
Peak:m/z	Relative Intensity
53.69620	0.6
53.69902	0.6
64.18626	0.7
65.40800	0.6
69.05927	0.7
111.04247	1.4
127.03705	1.6
147.53488	0.8
156.07559	1.0
171.06371	0.8
183.91504	0.9
199.09483	1.7
226.76341	0.9
242.46033	0.8
291.39377	0.7
337.16241	3.4
377.19397	1.4
420.89746	0.9
422.25964	1.0
463.30289	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
60.66722	1.0
68.92551	1.0
77.40042	1.1
123.09385	1.3
259.28281	1.3
301.07013	23.1
316.22717	1.3
388.24545	1.2
400.22418	1.2
400.27618	1.5
445.29361	14.3
463.23303	3.2
463.30280	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05769	1.9
51.32111	1.9
67.05523	4.6
69.07085	5.9
72.31843	2.3
79.05505	3.7
81.07060	17.1
83.08597	2.5
87.91931	2.2
93.07058	16.7
95.08614	29.8
105.07026	20.1
107.08582	20.8
109.10133	19.5
119.08578	33.3
119.98055	2.5
121.10155	25.3
123.11730	10.7
127.70596	2.3
131.08615	11.5
133.10164	14.1
135.11719	12.2
135.84322	2.4
143.08548	4.8
145.10110	28.4
147.11684	28.2
149.13264	10.0
157.10138	11.5
159.11664	24.4
161.13257	13.6
169.10168	3.7
171.11685	13.0
173.13257	34.3
175.14859	13.8
177.16389	2.8
183.11761	3.4
185.13290	12.9
187.14796	24.1
189.16420	5.4
199.14818	6.1
201.16383	23.3
203.17996	3.0
211.14874	9.2
213.16495	9.7
214.23720	2.4
215.17992	14.7
225.16461	4.8
227.17976	5.4
229.19525	9.6
239.18015	4.1
243.21126	15.2
253.19417	3.2
255.21172	5.6
265.19470	4.4
267.20959	20.0
281.22525	4.8
403.33563	53.8
421.34381	3.3
463.29465	4.9
463.35590	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04504	0.7
55.05520	1.3
73.83658	0.7
75.11285	0.8
83.04958	3.8
84.04539	0.7
85.02892	0.9
95.08572	0.8
107.08650	0.9
111.04436	0.9
126.05519	1.2
129.05388	0.9
136.06189	54.1
138.05489	4.6
142.00352	0.9
145.51350	0.9
149.02338	78.8
154.12268	1.1
159.78239	0.8
168.06563	1.3
186.07597	1.0
193.04959	100.0
204.08598	1.6
237.07556	74.2
320.09235	3.8
321.09808	3.1
331.40134	0.8
336.12326	20.3
364.19833	1.3
385.09338	3.0
421.39371	1.0
429.11823	4.7
450.15451	1.2
464.16718	7.2
464.28674	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	464.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10641	0.4
55.05483	0.7
59.22115	0.5
72.04486	1.0
83.04979	8.2
84.04479	1.0
85.02857	2.4
86.06044	0.5
86.09647	2.3
95.08574	0.5
96.04440	0.6
99.51080	0.4
104.07076	1.1
107.08534	0.5
110.07099	1.0
111.04380	2.7
126.05460	2.7
128.77568	0.6
129.05461	0.8
138.05504	9.1
144.06517	1.1
144.45204	0.5
154.55658	0.5
167.07014	2.3
168.06476	2.7
186.07529	2.3
194.98003	0.6
198.14871	2.8
204.08681	4.7
271.99307	0.5
290.08130	8.0
290.19586	5.4
302.08115	3.3
304.06067	7.1
314.12271	0.8
318.07565	10.6
319.08392	53.1
320.09244	4.8
334.10727	100.0
336.12439	1.2
464.17084	64.0
464.31677	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	464.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10641	0.4
55.05483	0.7
59.22115	0.5
72.04486	1.0
83.04979	8.2
84.04479	1.0
85.02857	2.4
86.06044	0.5
86.09647	2.3
95.08574	0.5
96.04440	0.6
99.51080	0.4
104.07076	1.1
107.08534	0.5
110.07099	1.0
111.04380	2.7
126.05460	2.7
128.77568	0.6
129.05461	0.8
138.05504	9.1
144.06517	1.1
144.45204	0.5
154.55658	0.5
167.07014	2.3
168.06476	2.7
186.07529	2.3
194.98003	0.6
198.14871	2.8
204.08681	4.7
271.99307	0.5
290.08130	8.0
290.19586	5.4
302.08115	3.3
304.06067	7.1
314.12271	0.8
318.07565	10.6
319.08392	53.1
320.09244	4.8
334.10727	100.0
336.12439	1.2
464.17084	64.0
464.31677	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	464.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	3.1
57.03434	14.5
59.04989	3.4
61.02936	4.6
69.03437	76.2
70.06593	35.7
72.08153	12.2
73.02943	3.6
84.04524	6.4
84.08148	20.5
85.02915	80.8
86.09705	14.0
87.04475	78.0
97.02893	82.4
102.05626	4.2
107.04948	29.2
109.02836	3.6
115.03936	100.0
116.07096	6.8
120.08142	14.8
127.03898	19.0
129.10281	25.9
131.04910	3.4
133.04977	74.9
135.08052	17.2
136.07574	4.9
136.55766	3.7
137.06000	7.2
145.04961	7.4
149.05991	23.7
150.07639	15.6
159.06038	3.8
159.08072	8.0
169.40576	3.4
177.09061	17.7
177.91077	4.4
195.10196	29.7
219.10193	26.5
231.10188	16.3
249.11218	14.4
259.08090	13.6
261.11176	14.8
277.46732	3.6
279.12247	6.9
295.10068	13.4
315.14572	4.1
464.20721	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	464.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.8
60.07910	0.7
60.08173	13.6
63.90033	0.7
67.05497	0.9
71.07366	1.4
79.05492	1.3
83.04977	0.8
86.09708	41.4
93.07038	1.5
94.28130	0.7
104.07086	1.7
104.10748	93.9
105.07055	1.0
110.07146	1.0
124.99986	15.3
138.05470	1.0
140.11922	0.7
184.07338	100.0
313.10455	0.8
314.95648	0.8
336.12549	1.1
367.98340	0.9
446.23108	5.9
464.23944	61.6
468.53589	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	464.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.5
57.03435	1.4
59.74792	1.3
60.19263	1.5
63.81329	1.4
65.38188	1.3
67.05510	10.1
69.03430	8.2
69.07077	11.1
69.41041	1.6
79.05499	2.5
81.03436	17.0
81.07063	38.8
83.04989	3.9
83.08625	6.5
84.70319	1.4
85.02908	9.4
86.18256	1.6
91.05480	10.7
93.07033	3.9
95.08610	9.8
97.02896	3.3
97.06532	2.6
99.04459	6.4
99.08087	6.0
105.07059	20.0
107.08572	11.8
109.02881	17.8
109.06522	3.7
109.10181	2.0
110.05060	1.6
119.08588	15.9
121.10151	22.6
123.07974	2.0
123.11689	32.8
127.03918	23.6
127.07533	3.4
133.10130	2.2
145.04909	1.9
147.11690	100.0
147.12880	3.2
165.12749	49.2
183.13750	2.1
193.12274	9.1
211.13312	2.3
229.14342	43.9
235.43536	1.8
273.14868	1.9
301.07196	11.7
302.07404	31.1
319.15335	6.6
337.16455	39.4
355.17532	31.1
373.18475	17.9
405.99673	1.6
464.19751	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	464.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	0.8
60.04531	3.4
67.05497	0.9
69.03442	0.7
69.07073	0.6
71.34453	0.6
73.37553	0.6
80.05010	1.1
81.03426	1.6
81.07063	1.5
84.04510	38.1
85.02914	1.1
89.06055	1.1
95.08595	3.4
95.47034	0.6
95.78905	0.6
96.04501	8.8
97.02901	2.8
98.06059	10.4
108.04487	0.8
108.56991	0.7
109.02876	3.5
109.10163	1.0
121.06495	4.0
124.03979	1.1
126.05515	64.4
127.03915	3.0
133.08618	0.9
136.06206	0.9
138.05504	100.0
144.06555	20.0
144.92183	0.7
164.91136	0.6
168.06563	16.2
175.40486	0.7
186.07613	27.1
204.08655	10.8
222.09781	0.9
301.07135	0.8
302.07355	4.6
336.12228	3.0
426.72650	0.7
428.26437	32.1
446.27463	24.9
464.28827	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	464.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	4.0
56.31371	1.5
67.05500	12.1
69.03427	12.3
69.07078	13.6
71.20335	1.5
74.17593	1.7
79.05500	3.4
81.03429	24.4
81.07057	38.9
83.04988	1.9
83.08624	9.6
85.02931	13.6
85.06529	2.3
88.77369	1.6
91.05482	11.5
93.07040	12.0
93.96841	2.1
95.08607	9.6
97.02885	8.2
97.06528	4.3
97.10151	3.8
99.04433	3.6
100.41616	2.1
105.07040	18.9
107.08591	13.6
109.02862	16.6
109.06540	2.3
111.80322	1.9
113.33362	2.2
113.34161	2.1
119.08566	16.0
121.10172	24.3
123.08090	3.7
123.11707	29.0
125.09631	7.0
127.03912	21.4
131.08539	2.2
133.10158	3.8
135.08112	1.8
137.13255	3.2
139.11209	7.8
147.11685	100.0
153.85414	1.8
165.12730	43.0
175.11159	2.7
183.13702	2.0
189.11125	3.9
193.12286	7.2
211.13322	4.4
227.12794	2.1
229.14363	41.5
241.14270	7.7
258.60980	1.9
268.12070	2.1
269.17444	2.1
270.02667	2.3
301.07227	13.4
302.07422	45.7
306.95367	1.8
319.15479	7.7
332.15771	2.0
337.16483	47.2
355.17484	29.7
373.18573	16.8
429.24847	14.8
486.64282	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	465.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07795	0.2
54.24603	0.3
56.05038	0.5
57.03441	0.3
61.02934	5.4
64.28294	0.3
68.65018	0.3
69.03440	0.4
70.06564	0.6
72.08157	0.6
73.02908	0.8
74.06033	0.4
76.05122	0.5
84.08138	0.4
85.02899	4.0
86.09702	5.2
91.03966	2.8
95.75253	0.3
97.02890	2.0
116.08184	1.3
118.05038	0.7
120.08105	6.6
127.03910	0.5
132.10201	0.5
136.07573	0.6
143.11775	0.5
145.04977	0.4
153.01820	0.6
160.07155	0.8
165.01927	0.7
187.07098	0.4
188.22241	0.3
229.04936	0.4
249.41309	0.3
257.04474	0.6
285.03897	0.5
303.04980	100.0
381.93771	0.4
465.23959	0.5
465.28781	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	465.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07643	1.0
55.01878	9.1
55.05313	0.9
55.05519	14.6
55.27591	0.9
57.03450	9.7
57.07082	13.6
67.05499	6.6
69.07064	27.2
71.08626	8.2
71.98840	1.1
73.02911	8.4
73.81723	0.8
79.05495	5.1
81.07056	10.3
83.08619	25.9
85.10195	4.0
93.07021	5.5
95.08615	8.0
97.06514	2.3
97.10169	19.3
98.98464	53.3
107.08585	4.9
109.10105	1.3
111.11711	4.3
121.10095	8.0
125.09647	1.4
129.05453	4.8
135.11707	4.8
137.00002	4.4
137.13309	1.2
155.01036	67.7
184.62788	1.1
189.13699	1.2
203.07765	1.1
219.21051	1.4
229.04700	2.4
237.22108	6.5
311.25784	100.0
391.22525	1.5
447.24930	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	465.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76046	0.6
53.03937	0.9
55.05519	0.9
61.57900	0.6
61.78200	0.8
66.18452	0.6
67.01681	0.6
67.05502	4.2
72.04514	1.2
74.06091	5.8
79.05492	1.1
79.22836	0.7
81.03426	3.6
81.07057	5.0
83.04973	1.8
91.05450	0.9
93.07054	3.1
95.04969	1.3
95.08636	1.5
104.07118	1.2
107.04944	1.2
107.08598	1.4
109.77717	0.7
110.07126	1.4
116.08218	14.7
117.07004	0.9
118.05017	3.1
119.08620	1.0
120.06612	0.9
121.10140	1.3
122.07189	1.2
123.08070	4.2
124.08714	100.0
125.09579	3.3
126.10269	4.6
131.08592	1.0
134.09723	0.8
135.11737	1.5
136.11203	1.1
137.09502	0.9
138.05553	1.3
145.06477	1.4
160.07159	1.7
162.10280	1.3
164.10724	1.1
176.11844	5.9
187.11171	1.8
190.13402	2.9
204.14966	1.4
211.10910	0.8
223.13206	1.1
241.14388	0.9
260.21222	0.9
346.21069	10.6
347.21976	4.6
348.22836	14.0
421.28265	1.0
436.94778	0.9
465.26752	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	465.271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18819	0.7
54.27143	0.8
55.35345	0.8
56.05036	2.1
60.05656	1.1
60.58743	0.7
70.27586	0.8
72.70230	0.8
74.06084	1.1
76.05094	0.9
83.04977	1.5
83.19174	1.1
86.09698	1.1
88.68573	0.9
93.07017	1.5
98.07194	3.8
104.07108	1.0
109.10183	1.0
116.08226	6.3
120.08109	1.6
134.09688	1.4
138.05499	1.0
160.07202	1.3
163.33784	1.1
189.10226	8.2
191.09302	1.9
203.11937	1.7
204.11424	1.5
205.10796	4.6
207.42773	0.9
217.32805	1.0
233.09175	9.2
249.09654	1.2
251.13855	1.8
256.54404	0.9
303.07712	1.2
303.20468	1.7
312.20706	1.7
332.20914	1.6
341.22229	1.1
359.23422	1.5
360.21704	1.8
361.25027	9.6
379.25897	5.2
384.15817	1.2
387.22684	6.7
389.25745	1.2
402.25934	1.0
405.23953	8.8
406.21918	1.3
421.28094	2.0
423.24811	13.3
465.27075	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	465.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21120	2.6
55.05522	3.4
61.32995	2.4
63.58384	2.3
67.05501	21.6
69.07059	15.8
78.39886	2.6
79.05515	3.9
81.07053	54.4
81.07501	4.5
83.08617	10.4
91.05460	4.2
93.07029	13.7
95.08610	47.0
95.42355	3.1
97.10187	4.9
105.07027	13.5
107.08565	15.8
109.10133	27.0
119.08581	17.2
121.10135	17.6
123.11689	4.3
131.08589	6.6
133.10138	11.5
135.11702	13.1
145.10149	13.3
146.96498	3.4
147.11659	4.9
149.13223	6.5
154.24493	3.1
159.11621	5.7
160.83527	2.9
166.80966	3.2
175.14835	3.2
183.87134	3.1
281.54144	3.0
343.08316	3.0
412.35724	5.8
413.33954	18.6
418.49631	3.1
430.36807	34.2
431.35309	14.8
447.39331	7.0
448.37701	18.9
465.40546	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.161
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62995	0.3
60.89671	0.3
69.03443	0.3
70.06583	0.4
86.09710	0.5
86.27631	0.3
87.04486	0.4
100.16722	0.3
104.07104	0.7
104.10738	1.6
109.02802	0.4
167.06981	0.7
168.07330	0.4
171.33109	0.3
184.07390	0.8
278.07947	0.5
292.09662	11.4
304.09619	1.5
306.07645	3.7
320.09164	12.7
321.04312	0.4
321.06085	0.6
321.09952	31.9
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	466.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67599	0.7
55.01876	0.8
57.03445	1.3
61.02931	1.8
64.41165	0.8
67.05512	1.4
69.03426	6.4
73.02922	12.7
79.05495	4.9
81.03435	1.1
81.07061	100.0
85.02908	24.1
85.14239	0.9
86.05119	0.9
91.03969	1.2
95.08596	7.1
97.02886	18.1
99.04446	1.1
105.07011	1.5
109.02895	1.3
115.03916	6.3
123.11699	1.3
125.96029	1.1
127.03916	10.4
133.04951	10.2
137.13246	28.0
145.04915	6.9
147.11679	1.2
148.11998	1.4
161.77933	1.0
163.05992	2.2
163.43129	1.0
178.13881	1.2
241.07137	1.2
259.08157	7.9
269.20923	1.5
286.17264	3.8
295.10181	15.3
301.07181	1.1
302.07449	3.8
303.07562	1.7
304.07956	4.1
317.19598	2.3
330.13846	1.3
339.47531	1.0
466.13150	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	466.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28569	0.7
57.03445	2.1
57.07079	1.8
61.02933	1.8
67.05512	1.9
69.03430	6.7
69.07067	2.3
73.02924	11.9
73.36833	0.9
76.79768	1.1
78.21226	1.0
78.47585	0.9
79.05494	6.5
79.36311	1.1
81.03398	1.0
81.07061	100.0
85.02901	21.3
87.04462	1.0
90.69060	1.0
93.04845	0.9
95.08611	18.2
97.02882	14.4
109.02860	2.0
109.10160	4.3
115.03936	6.6
123.11722	1.0
127.03929	8.8
130.57866	1.1
133.04942	7.9
137.13264	24.5
145.04980	10.8
152.35226	1.0
154.15924	1.2
163.05983	5.4
165.12527	1.4
167.34811	1.0
259.08139	7.3
295.10159	8.4
302.07217	1.2
437.24744	1.1
437.31500	1.1
466.19614	3.9
474.59106	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	466.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.1
57.03442	4.5
61.02934	3.8
66.73742	1.0
67.05492	2.1
67.21928	0.9
69.03424	5.1
69.07088	1.0
73.02905	15.0
79.05496	2.4
81.03419	1.2
81.07062	100.0
85.02908	24.0
95.08611	8.9
97.02901	15.7
109.02913	1.4
109.10139	1.3
111.33347	1.1
115.03951	6.7
123.11716	1.5
124.21103	1.0
127.03917	8.5
133.04962	6.9
137.13255	32.5
145.04967	7.7
147.11649	1.9
148.12016	2.1
163.05994	5.4
166.13074	1.5
179.99762	1.1
184.70705	1.1
223.06052	1.6
259.08173	10.8
265.04962	1.0
277.09164	2.2
285.16864	1.2
286.17368	2.1
295.10202	15.5
304.07843	1.5
317.19656	2.4
321.29367	1.1
334.84879	1.2
336.12027	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	466.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78917	1.4
53.21566	1.3
53.70815	1.1
55.01870	1.2
55.05505	1.6
57.03442	2.4
57.07066	1.1
58.12347	1.2
67.05514	6.1
69.03434	23.9
69.07065	6.5
72.04502	1.8
79.05473	5.1
81.03399	1.9
81.07060	100.0
83.57165	1.6
85.02900	18.8
87.04472	25.3
93.07086	1.6
95.08603	18.7
97.02895	33.0
109.10163	2.7
110.07174	12.0
115.03934	40.8
116.08257	2.9
118.02486	1.4
127.03921	2.1
133.04970	32.1
133.10088	1.9
136.06203	6.2
137.13255	30.5
145.04915	2.1
148.11180	3.0
149.11623	1.6
150.07635	2.3
156.07726	2.2
241.07028	1.4
259.08017	5.7
295.10254	7.8
320.09164	2.7
336.12274	47.0
466.22119	13.7
466.28738	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	466.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97748	0.7
55.01878	1.1
57.03437	3.2
57.07077	1.6
61.02929	1.4
67.05494	1.5
69.03443	6.6
69.07061	1.5
73.02917	11.1
75.01473	0.6
78.89912	0.7
79.05484	4.5
81.07063	100.0
85.02908	21.7
87.04465	0.6
87.81289	0.7
95.08598	16.5
97.02888	15.4
103.03936	1.0
109.02837	1.3
109.10137	1.1
115.03910	8.0
127.03918	8.3
133.04985	6.9
137.13257	24.3
145.04950	7.5
154.15804	0.8
163.06004	2.9
219.91489	0.7
241.07025	0.9
259.08151	5.8
277.09158	0.9
295.10162	6.7
360.14917	0.9
371.44907	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	466.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	6.1
57.07059	1.4
67.05504	23.7
69.03429	6.5
69.07066	9.3
71.04987	1.8
79.05481	2.9
81.03412	3.6
81.07056	42.5
83.08614	8.6
85.02909	15.5
85.06538	2.0
91.04539	1.5
91.05460	2.2
93.07037	6.8
95.08604	40.8
97.02872	3.3
97.10179	13.1
105.07056	3.7
107.08614	16.1
109.02878	2.9
109.06481	1.8
109.10152	51.0
119.08597	7.5
121.10147	10.4
123.08049	1.7
123.11703	25.0
125.09624	16.2
127.03912	2.8
131.08527	1.9
133.10135	4.0
135.11702	7.8
137.09642	6.5
137.13261	3.6
145.04980	2.4
145.10123	2.9
147.11682	15.0
149.13272	3.5
151.11185	6.5
153.09145	1.7
159.11726	3.4
165.12694	6.3
175.14828	2.2
183.11646	2.4
195.13751	3.0
205.19543	2.4
209.48561	1.5
215.17969	14.6
229.14308	2.0
233.18982	23.3
251.20026	52.5
269.21118	68.0
287.22147	100.0
301.07001	2.4
302.07388	10.4
303.07306	3.3
304.07819	15.7
315.40103	1.6
337.16544	3.3
355.17514	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	467.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90499	2.0
53.03950	4.6
53.44428	1.7
55.01878	4.0
57.07401	1.6
57.18284	1.6
66.70731	2.0
68.99776	1.8
69.03420	21.0
70.06599	3.3
71.04987	4.5
72.08174	4.5
73.02911	3.5
76.21619	2.2
81.03430	18.2
81.03831	2.1
81.07063	3.0
85.02911	52.8
86.09703	5.1
87.00827	17.6
95.08611	3.8
97.02884	17.3
99.04431	3.7
105.01886	13.9
107.08671	2.2
109.02892	29.6
117.01797	1.9
120.08122	13.1
122.06024	8.3
127.03901	35.6
128.06267	3.8
129.01826	2.7
129.06981	4.2
130.64600	2.1
131.08580	9.5
137.06027	3.2
141.06975	3.3
143.08556	21.1
145.04967	12.6
145.10123	3.7
157.06479	4.9
159.02873	17.6
159.08047	12.2
162.06749	8.8
169.06480	3.2
171.08040	23.8
174.06790	21.2
175.07512	19.3
186.06749	3.2
187.07526	4.5
188.08304	4.8
189.09103	44.5
201.09064	20.0
203.10681	82.6
215.10707	2.6
217.08456	2.3
219.10165	100.0
231.05052	5.0
320.94647	2.4
339.09607	2.5
372.25198	2.2
467.15280	7.7
467.27914	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	467.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66626	2.2
51.23931	1.8
53.03949	3.1
55.01876	5.7
61.02929	2.7
62.12740	1.9
63.47398	2.1
69.03443	23.0
70.06575	4.4
71.05009	2.6
72.08135	2.8
75.94405	2.2
76.82008	2.4
78.56883	2.5
81.03439	25.2
81.07080	2.7
82.35126	2.2
85.02913	44.7
86.09708	9.4
86.43872	2.2
87.00829	19.1
95.08607	5.3
97.02888	16.3
99.04456	16.0
104.16686	2.3
105.01863	15.4
107.08586	3.0
109.02879	31.3
109.06490	2.7
109.10184	4.3
110.07104	2.2
111.08069	3.6
120.08105	15.5
121.85834	2.3
123.11702	2.8
127.03922	39.9
128.06201	5.6
129.01830	4.3
131.08511	4.7
131.92010	2.4
135.84898	2.6
136.07581	3.0
137.06027	3.4
143.08594	20.7
145.04976	15.2
145.10022	3.2
146.38881	3.0
149.43074	2.6
159.02832	12.3
159.08064	5.7
162.06734	4.7
171.08051	39.1
174.06764	11.7
175.07481	18.5
188.08325	4.8
189.09079	20.4
201.09169	10.1
203.10667	100.0
219.10149	48.6
243.35237	3.1
273.96802	2.6
355.82266	2.5
461.20462	2.6
467.14749	4.2
467.31711	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	467.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06588	4.4
72.08157	4.1
74.06078	1.2
80.67278	0.6
84.04515	5.1
84.08138	6.5
85.02893	0.6
85.08456	0.6
86.09710	3.3
86.10181	0.7
88.61439	0.6
102.05556	1.5
103.05440	0.8
109.33989	0.6
110.07159	1.2
120.08103	16.2
120.08920	1.0
129.10255	6.2
133.70995	0.6
136.07585	3.6
136.48357	0.6
154.27159	0.6
164.36389	0.7
185.04202	0.9
197.81947	0.6
287.12518	16.0
305.13586	62.3
467.18875	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50372	0.6
55.05524	0.9
56.18644	0.6
56.96575	3.2
57.03450	0.8
57.07077	7.8
67.05513	1.5
69.07064	1.1
71.08630	5.0
81.07071	4.2
83.08625	1.7
85.10188	3.7
89.87579	0.8
95.08620	4.3
97.10191	1.1
98.98475	4.6
107.08597	0.8
109.10152	1.6
125.89681	0.7
141.12669	0.8
155.01057	11.1
164.70306	0.8
170.11856	1.0
178.05876	0.8
206.91583	0.8
243.09077	1.0
255.08791	1.0
313.27386	20.1
315.16171	1.0
333.17349	39.4
335.18707	1.2
338.27487	0.9
351.18445	100.0
369.19498	34.6
374.20074	4.2
407.21069	24.8
425.22198	3.2
426.18277	1.3
449.26755	5.3
467.22913	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	467.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82516	0.7
54.20920	0.8
54.45105	0.7
55.05512	4.4
57.03437	8.5
57.07081	35.3
64.64320	0.7
67.05509	9.4
69.07064	6.3
71.08630	30.4
78.34608	0.8
80.23827	0.8
81.07050	12.5
83.08611	10.3
85.10176	17.6
89.75001	0.9
90.75840	0.8
95.08601	19.2
97.10161	5.9
98.98463	34.9
109.10172	11.9
116.99517	1.0
123.11703	1.4
125.86314	0.8
129.09271	0.9
136.99963	5.0
155.01030	57.0
165.34380	0.9
199.37662	0.9
225.67101	1.0
239.23477	1.1
272.31012	1.1
313.27338	100.0
393.23849	5.9
449.26517	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	467.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50792	0.7
53.34039	0.7
55.01874	0.7
55.05510	1.0
57.03432	1.9
63.32553	0.7
67.05504	4.2
72.04508	3.2
72.69870	0.8
74.06048	0.9
76.05125	3.4
79.05511	1.4
81.07075	5.7
85.06541	0.8
91.05491	1.6
93.07033	3.9
95.08611	3.3
105.07005	1.3
107.08628	2.6
108.08094	1.6
109.06521	17.6
109.10229	1.2
110.07178	1.4
115.84837	0.7
117.07021	3.1
118.05008	1.8
119.08623	1.2
121.10121	1.5
122.07130	1.5
129.06964	1.0
131.08569	3.4
133.10144	1.2
135.08054	15.8
135.11708	1.2
143.08574	1.0
144.43477	0.8
145.10149	3.6
146.07150	0.9
146.09644	4.5
147.08089	1.2
148.08633	1.0
149.09610	1.2
159.11711	1.2
160.07182	3.9
161.09610	4.3
162.10254	1.5
163.11163	1.0
171.11693	1.3
172.08698	0.8
175.11211	0.9
176.11772	0.9
177.09846	3.8
187.11086	1.3
188.11845	3.4
199.14986	0.9
202.13405	1.2
206.12944	1.6
216.15057	0.7
217.15892	5.0
234.16034	1.0
272.17554	14.5
273.18509	3.2
290.18594	34.1
291.19525	14.1
330.21844	1.2
333.02682	0.9
348.22922	1.1
366.23853	3.0
467.28629	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.9
55.05519	1.1
56.05044	2.8
62.10802	0.8
62.63484	0.6
67.05506	1.2
69.07059	4.2
72.04508	4.3
74.02412	1.1
74.06068	2.9
81.07055	1.5
84.04520	1.1
88.08892	0.7
93.07045	1.0
96.05611	1.1
97.06532	3.0
101.76451	0.7
105.07032	1.1
107.08596	1.5
109.06390	0.8
109.10161	1.2
110.07163	17.0
116.08202	1.2
118.05013	1.5
121.10152	1.1
122.07146	1.8
126.06588	1.2
134.07112	1.0
135.07820	1.4
136.05074	5.0
136.08728	1.4
138.06635	6.4
139.04997	1.0
140.44553	0.8
143.92757	0.8
148.08702	0.9
154.06146	1.6
158.47681	0.7
159.27417	0.8
178.13423	7.6
188.11839	1.8
191.11812	3.4
194.15411	1.0
206.12886	42.1
206.16420	1.3
210.14807	1.0
212.16423	1.7
216.14940	2.9
217.13297	0.9
220.13237	1.0
234.16026	6.2
238.14297	1.6
245.12508	0.8
250.15494	0.8
252.17058	3.3
260.13803	1.4
262.15472	4.1
270.18127	5.8
272.20163	0.8
280.16507	3.3
287.21127	1.3
302.18613	4.7
302.21884	1.0
314.22275	1.1
315.20587	1.1
316.20071	1.2
330.21832	1.6
333.21722	14.9
336.12643	1.2
337.12579	3.4
338.24512	1.3
348.22910	5.4
356.23499	1.4
359.85068	0.8
366.23917	4.2
415.71036	0.9
430.05383	1.1
449.27493	4.0
450.26062	1.5
467.23050	3.8
467.28574	100.0
492.64331	0.8
494.54007	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	467.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01223	1.4
55.05515	2.8
67.05503	9.4
69.07077	14.3
71.08624	1.7
79.05507	2.1
81.07065	47.8
83.04992	3.0
83.08623	2.9
83.56751	1.5
91.05515	2.5
93.07041	7.7
95.08614	14.0
97.06550	3.2
99.08076	22.8
99.08544	1.4
105.07050	10.9
107.08591	13.7
109.06486	1.8
109.10155	37.8
111.08056	3.3
111.76173	1.6
115.37543	1.6
119.08591	10.9
121.06504	1.5
121.10149	9.5
123.11729	2.8
131.08594	7.6
133.06464	2.1
133.10153	12.4
135.08041	20.6
135.11682	2.6
137.09616	11.6
143.08546	7.9
145.10159	10.7
147.08093	2.6
147.11662	8.2
149.09604	10.4
151.11200	2.0
155.08560	3.0
157.10129	9.0
159.08089	2.3
159.11685	9.2
161.09595	9.2
161.13257	3.7
163.11208	3.1
169.10167	4.0
171.11684	8.6
172.44095	1.8
173.09608	3.5
173.13309	6.5
175.11127	4.0
175.14906	2.2
181.10056	1.8
183.11682	3.9
185.09645	7.2
185.13231	9.6
187.11168	3.0
187.14738	2.9
195.11699	2.7
197.13272	2.5
199.11134	3.2
199.14763	2.7
201.12772	2.9
203.14334	2.6
207.11612	1.7
209.13237	1.6
211.11169	1.8
211.14737	2.4
213.12738	3.0
221.13350	2.2
225.12779	1.9
233.89717	1.8
255.17514	2.0
279.17349	1.6
295.20789	1.9
297.18732	2.0
309.21945	2.6
311.20050	1.8
319.20694	2.2
367.22552	3.1
369.24191	2.8
413.28485	2.8
431.29721	12.9
449.30435	42.2
467.24994	3.6
467.31564	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.8
56.36799	2.2
57.07093	2.0
61.29898	1.7
64.16399	1.8
67.05488	8.2
69.07067	5.2
77.28636	2.0
79.05497	3.0
81.07049	25.8
81.46834	2.2
82.12643	2.1
91.05456	4.9
93.07050	15.8
95.08613	37.2
105.07050	21.4
107.08617	22.5
109.10158	34.9
111.08056	4.9
119.08582	24.8
121.10134	20.0
123.11686	11.0
131.08638	8.5
133.10141	29.0
135.11690	16.2
143.08548	5.5
145.10107	23.3
147.08044	3.5
147.11688	26.1
149.13240	11.5
155.08620	2.8
157.10118	16.5
159.11665	30.5
161.13290	12.2
163.14763	3.8
169.10156	2.9
171.11682	17.2
173.09593	9.0
173.13234	27.8
175.11136	3.8
175.14838	3.7
177.16409	3.2
180.41263	2.4
183.11714	14.8
185.13232	17.9
187.11230	10.6
187.14812	15.8
189.12784	5.1
189.16391	53.8
197.13287	11.2
199.11223	2.7
199.14818	5.3
201.12833	11.9
201.16307	17.4
203.14261	3.0
203.17940	9.9
209.13318	3.5
213.16537	3.5
215.10608	2.6
215.14363	4.6
215.17941	9.2
217.12187	4.1
221.13451	2.5
223.14932	2.8
233.11638	3.4
239.17970	2.6
243.13985	2.9
245.15457	2.5
247.13161	3.2
393.31546	3.0
421.31412	3.1
431.29135	8.9
437.30511	5.4
449.30466	32.4
467.31531	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.2
55.01868	7.0
55.05505	2.7
57.03434	2.7
61.02933	2.4
64.81993	1.2
65.60503	1.1
67.05508	6.9
69.03438	22.7
69.07056	1.8
70.91579	1.2
71.04990	5.3
72.08135	1.6
73.02917	5.3
79.05494	3.1
81.03426	18.9
81.07063	19.6
83.08585	2.3
85.02907	48.2
85.41045	1.2
86.09705	1.6
87.00833	18.2
91.03931	1.4
91.05479	6.9
93.07031	11.0
93.40185	1.3
95.08610	24.6
97.02896	19.1
97.10197	1.6
99.04465	10.9
105.01884	12.9
105.07044	14.7
106.31205	1.5
107.08596	16.6
109.02882	22.9
109.06532	2.1
109.10168	27.6
111.08066	7.1
115.05411	1.5
117.01846	3.4
119.08580	16.2
120.08093	2.2
121.06486	1.5
121.10130	21.8
123.08045	1.8
123.11691	7.1
127.03921	37.6
128.06215	4.8
129.01811	3.0
129.07001	2.7
131.08563	10.4
133.10132	20.9
135.08058	1.6
135.11725	11.5
137.05946	6.1
141.06996	1.9
143.04877	1.5
143.08569	22.8
145.04967	10.8
145.10118	17.9
147.02962	2.2
147.08096	2.8
147.11693	14.2
149.13278	13.9
155.08553	2.9
157.10115	13.3
159.02858	15.8
159.08061	8.0
159.11691	20.5
161.06009	1.5
161.09637	2.2
161.13248	12.8
162.06737	8.9
163.14803	3.3
169.06578	1.8
169.10109	2.9
171.08037	29.7
171.11671	14.7
173.09624	2.1
173.13257	34.0
174.06754	13.2
175.07570	19.6
175.11208	5.7
175.14821	6.1
177.12743	1.7
177.16393	8.2
183.11714	9.6
185.09636	2.0
185.13264	8.7
187.07582	2.2
187.11223	5.5
187.14799	12.0
188.08318	6.2
189.09062	19.6
189.12843	4.3
189.16467	5.4
191.10645	2.5
191.17880	2.2
197.13351	5.5
199.11171	23.3
199.14851	8.4
201.09142	7.0
201.12733	12.8
201.16383	6.2
203.10660	100.0
203.17940	1.9
205.15802	2.7
205.19518	2.0
209.13170	1.8
211.11215	1.8
211.14787	2.2
213.12808	2.5
213.16418	3.1
215.14287	3.2
215.18015	2.1
217.12273	3.3
217.15932	2.3
219.08258	2.5
219.10179	40.0
223.14891	2.4
225.12500	1.6
225.16367	2.7
229.12228	2.5
231.05067	7.0
231.13751	1.8
239.14261	2.0
243.13837	7.7
245.11945	2.1
245.15320	5.5
253.19566	1.7
261.14850	2.0
299.20605	1.6
307.70358	1.3
322.09940	1.8
375.30707	2.1
391.30103	2.8
393.31500	11.2
403.29938	6.6
409.27359	5.7
419.29184	1.9
421.31104	12.4
431.29630	3.3
437.30609	5.5
439.31793	3.1
449.30478	38.5
467.14636	1.7
467.25052	4.7
467.31567	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	467.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.79395	1.5
61.02890	1.5
63.49072	1.3
67.05508	6.5
67.17158	1.5
69.03439	2.0
69.07086	3.1
69.76162	1.4
70.06601	1.9
79.16482	1.5
81.07047	14.5
83.08645	2.3
85.02924	1.9
85.06566	2.2
86.09715	9.3
91.05487	4.0
93.07042	19.9
95.08620	29.3
97.10236	1.8
103.03963	2.6
105.07039	15.4
107.08607	19.3
109.02825	2.1
109.06548	9.2
109.10175	19.9
111.08087	38.5
119.08568	19.8
119.52047	1.7
121.10133	20.0
123.11715	6.6
125.87874	1.8
127.03944	3.6
129.07042	2.4
131.08606	9.2
133.10147	19.7
135.08046	2.5
135.11705	14.7
136.07683	2.4
143.08585	8.1
145.10104	20.5
147.11647	13.3
149.09625	2.8
149.13287	11.2
151.11232	2.2
157.10144	16.7
159.11702	20.0
161.09637	2.4
161.13216	13.0
163.11220	2.3
163.14807	3.4
169.10176	6.7
171.08144	2.2
171.11678	16.5
173.13271	17.2
175.11259	6.8
175.14883	10.3
177.12791	3.5
177.16451	6.9
183.11720	7.1
185.13293	10.1
187.07652	2.1
187.11243	3.6
187.14848	12.5
189.12814	6.7
189.16455	8.1
195.11823	1.9
197.13316	9.9
199.11182	3.3
199.14766	19.3
201.12756	3.5
201.16377	7.3
203.10629	2.3
203.14362	7.3
205.15900	3.3
209.13345	3.0
211.14857	2.9
213.16458	2.9
215.14322	3.3
217.15907	3.4
219.17426	2.9
223.14972	2.5
225.12733	2.4
225.16364	5.3
227.17950	2.9
229.12227	2.3
231.13708	2.8
237.02931	2.9
237.16490	2.5
239.14642	1.9
239.17477	1.7
243.13861	6.6
243.17603	2.3
251.17943	2.1
253.19447	1.7
261.14920	2.2
265.19397	2.0
285.18372	1.8
313.17957	2.1
323.08194	6.5
341.09055	3.0
391.26413	3.5
393.31717	3.2
403.30121	3.9
409.27451	9.1
421.30771	12.3
425.56821	1.7
431.29578	7.3
437.30734	13.2
439.32025	3.8
449.30612	50.0
467.12952	17.6
467.31674	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.3
67.05508	4.9
69.07070	2.9
71.89160	1.1
79.05481	1.6
81.07066	14.0
83.08603	1.2
91.05470	2.7
93.07047	14.7
95.08614	26.5
96.19431	1.3
104.54441	1.2
105.07040	13.3
107.08608	26.1
109.06523	3.0
109.10163	11.2
111.08066	12.6
117.06997	1.5
119.08587	19.6
121.06512	1.3
121.10126	13.6
123.11706	7.4
131.08571	8.1
133.10136	18.9
135.11684	12.0
143.08656	5.6
145.10098	17.6
147.08023	2.1
147.11710	17.8
149.09755	1.6
149.13295	9.9
157.10129	6.4
159.08067	2.6
159.11673	20.5
160.01595	1.2
161.09633	15.7
161.13237	17.0
163.11143	1.7
163.14870	1.6
169.10056	2.3
171.11661	10.7
173.09637	2.5
173.13234	14.7
175.11229	2.1
175.14882	7.4
177.12717	1.3
177.16403	5.2
179.10692	2.0
183.11684	2.6
185.13271	8.3
187.11212	16.5
187.14778	12.0
187.90129	1.1
189.09108	18.9
189.12729	1.7
189.16405	6.4
191.17902	2.1
197.13257	7.1
199.11151	3.0
199.14842	7.7
201.09053	1.4
201.12787	6.9
201.16402	7.4
203.10754	8.8
203.14249	2.0
205.15837	1.5
207.10085	8.6
209.13350	1.9
211.14983	1.8
213.16431	1.3
215.10684	37.8
215.14024	8.5
215.17905	1.6
217.12221	2.6
221.11650	4.4
225.12770	1.7
225.16406	5.3
227.17863	1.4
229.12254	5.3
233.11740	23.9
243.13760	20.8
247.13380	2.0
255.13852	1.6
261.14795	14.3
283.16937	1.6
295.17120	2.0
299.16238	1.4
313.17963	1.8
409.27545	5.2
421.30981	1.7
431.29547	1.8
437.30603	5.9
439.32098	2.6
449.30551	28.6
467.31577	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62365	0.7
58.07174	0.8
66.93885	0.7
67.05511	3.5
69.07067	1.3
79.05500	1.3
81.07065	12.4
81.29471	0.9
83.08624	1.6
93.07057	9.9
95.08611	21.8
99.86668	0.8
105.07046	13.7
107.08590	14.7
109.06519	1.8
109.10167	10.6
111.08085	8.8
117.07018	1.0
119.08564	16.3
121.06551	1.7
121.10142	12.2
123.11722	5.8
131.08595	6.2
133.10130	14.3
135.08043	1.8
135.11658	7.3
137.09595	1.1
137.13301	1.8
139.11205	1.5
143.08574	2.2
145.10127	17.8
147.08037	1.5
147.11673	13.9
149.09615	1.1
149.13275	6.2
157.10127	7.0
159.08058	2.2
159.11691	21.2
161.09605	10.1
161.13197	11.5
163.11284	1.3
163.14868	3.7
169.10143	1.6
171.11661	7.2
173.09659	5.3
173.13239	13.8
175.11206	3.6
175.14818	6.5
177.16443	4.4
181.10301	1.0
183.11699	3.5
185.13205	6.5
187.07613	1.5
187.11182	15.2
187.14816	12.5
189.09068	16.0
189.12752	3.7
189.16356	8.3
190.77954	1.0
197.13300	4.9
199.11185	1.2
199.14795	6.2
201.12804	6.3
201.16383	4.7
203.10670	5.6
203.14398	1.3
203.17969	1.3
205.15918	3.8
207.10185	5.9
211.14775	1.3
213.16397	1.7
215.10672	26.8
215.14113	6.3
215.17932	1.1
217.12308	3.6
217.15837	1.2
219.17387	1.5
221.11725	4.1
223.14799	1.1
225.12715	1.7
225.16368	1.6
227.10721	0.9
227.17862	2.2
229.12248	2.2
229.19492	1.8
231.13873	1.8
233.11739	24.5
243.13797	19.2
245.15347	1.5
255.13632	1.1
261.14792	12.0
261.16980	0.9
269.15475	1.2
283.17120	1.0
285.22205	1.2
295.16974	1.6
299.16635	1.5
313.18079	3.8
391.26086	1.8
403.29950	1.3
409.27570	4.1
421.31082	1.5
431.29391	3.4
437.30554	8.0
439.32419	3.6
449.30466	29.3
467.31604	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42169	1.9
60.12638	1.8
62.76433	1.9
63.46136	2.0
67.05502	14.7
69.03410	2.2
69.07075	15.2
71.19370	1.9
79.05497	3.5
81.07065	42.2
83.04975	2.7
83.08621	2.5
91.05469	2.8
93.07041	16.7
95.08611	20.6
99.08092	13.5
105.07030	9.3
107.08581	15.3
109.06541	2.6
109.10162	50.8
111.08106	4.8
114.49780	1.9
117.07034	3.1
119.08581	16.4
121.03840	1.9
121.06552	3.4
121.10144	13.3
123.08083	4.8
123.11716	4.5
125.09615	3.0
131.08572	8.3
133.10138	14.2
135.08038	18.3
135.11696	4.9
137.09644	9.0
143.08492	3.5
145.10130	12.9
147.08107	3.9
147.11702	12.0
149.09605	4.8
157.10149	11.3
159.11671	13.7
160.84515	2.1
161.09628	12.1
161.13260	9.0
163.11122	3.8
167.08476	2.4
169.10162	3.5
171.11717	4.2
173.13303	10.1
175.11234	3.5
175.14920	3.0
181.10028	2.4
183.11678	5.0
185.09639	4.8
185.13324	8.0
187.11145	7.7
187.14799	5.2
187.30276	2.0
197.13306	3.3
199.14804	2.8
203.14307	3.8
211.14954	3.9
215.14079	2.4
223.14796	2.7
225.12744	2.1
243.13815	3.0
255.17442	3.2
351.23196	2.7
367.22498	5.1
403.29724	2.5
419.28842	2.7
421.30994	2.6
431.29276	11.4
449.30447	39.0
463.88419	2.3
467.31696	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15559	1.0
55.05515	3.2
57.07074	2.9
60.35784	1.0
61.91494	1.2
67.05505	6.5
69.07061	2.5
69.55667	1.2
79.05508	1.4
81.07061	7.8
81.62975	1.2
83.08608	6.2
85.06516	1.2
93.07053	4.6
95.08614	7.8
97.10158	14.6
105.07019	1.2
107.08602	16.1
107.40755	1.3
107.52409	1.3
109.06511	1.4
109.10159	5.2
119.08617	1.7
124.11214	2.5
125.09601	14.8
133.10150	3.0
135.08046	12.3
142.12296	13.2
151.11147	1.9
152.10646	4.6
153.09099	9.4
170.11754	100.0
188.12843	27.4
207.09674	1.2
261.89438	1.3
268.26337	1.7
280.26239	9.8
288.71878	1.5
309.21863	1.5
467.31201	9.5
467.42035	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	467.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.7
56.95185	0.7
57.07064	3.6
59.23259	0.8
60.14258	0.8
67.05506	7.4
69.03440	1.2
69.07066	6.0
71.08636	1.9
79.05487	3.5
81.07057	7.8
83.08620	8.9
84.01302	0.8
84.08119	0.7
86.06056	1.4
91.05481	1.3
91.76952	0.7
93.07045	2.0
95.08609	8.9
97.10174	10.5
105.07034	1.3
107.08595	13.7
108.91060	0.9
109.09518	0.9
109.10152	8.0
119.08591	1.6
121.10116	1.8
123.11671	1.3
124.11224	1.9
125.09631	15.0
133.10147	2.0
135.08054	13.6
137.13303	1.0
142.12245	11.4
147.11702	2.3
151.11182	1.2
152.10690	5.3
152.52039	1.1
153.09090	9.9
154.12251	1.5
161.13196	1.2
170.11749	100.0
171.10217	1.2
179.17946	1.2
180.95767	1.1
188.12816	32.4
245.22589	4.1
263.23694	1.6
280.26297	18.4
467.31601	1.3
467.38040	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	468.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
53.11071	0.8
55.05517	2.1
56.18918	0.7
57.03445	1.7
58.99596	1.1
62.59922	0.7
64.86453	0.8
67.05517	6.8
67.49538	0.7
69.07060	5.4
71.04997	9.1
72.25241	0.8
76.02206	3.5
78.36782	0.7
79.05495	3.6
80.38687	0.9
81.07065	25.6
83.04991	1.7
83.08612	6.6
85.02934	1.2
85.06542	8.3
86.99064	1.2
87.02679	1.3
87.04475	1.4
90.34423	0.8
91.05488	6.1
92.21513	1.1
93.07045	8.9
95.08607	34.8
95.68121	0.8
97.06528	9.4
97.10167	1.5
99.08094	4.5
105.00111	1.7
105.05524	2.0
105.07037	8.0
107.08590	6.6
109.06581	0.9
109.10156	4.6
111.08110	1.7
113.04242	1.1
117.84239	0.9
119.08582	18.1
121.10135	7.9
122.02722	7.1
123.08072	4.7
124.79202	0.9
125.86499	0.8
127.11180	2.1
133.04939	6.9
133.10120	13.0
135.11694	7.2
137.09618	4.9
137.13277	8.5
149.13255	1.8
161.13249	47.7
167.14369	1.4
179.14308	23.0
179.15842	1.3
183.94897	0.9
197.15315	8.3
215.16286	0.9
255.14177	1.5
257.13760	3.8
272.16769	1.0
311.18573	4.0
318.17300	1.4
329.19455	6.2
381.56256	0.9
451.19809	3.1
468.22620	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	468.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	4.1
63.04647	2.6
67.05515	3.5
69.07068	12.9
71.04990	3.0
74.85358	2.4
79.05540	3.5
81.07049	21.1
85.02874	3.3
85.06552	4.8
93.07046	22.9
94.15710	2.8
95.08607	22.5
97.02913	3.5
97.06517	21.4
99.04430	6.6
105.07021	16.6
107.08582	14.0
109.06514	23.9
109.10141	6.3
109.93450	2.9
111.08094	6.2
119.08571	14.6
121.06506	55.3
125.05947	5.8
127.07573	10.2
133.10104	13.5
135.08051	4.4
137.05945	4.5
139.07542	22.2
143.07011	6.1
147.11688	35.1
157.08594	11.7
157.10028	10.4
161.13235	23.7
163.14789	3.7
165.12704	29.8
169.12247	7.1
171.11658	14.6
173.13254	3.1
175.11191	27.7
189.12694	26.4
193.12242	47.6
199.11159	41.2
207.13872	10.5
211.13277	19.0
217.12221	92.6
229.14183	5.6
235.13260	57.4
246.33385	3.7
248.94656	2.9
253.14334	100.0
271.15323	42.7
289.16452	86.1
294.11346	6.2
308.09210	3.4
309.09039	3.1
322.10550	4.6
323.11545	20.5
338.13840	70.9
450.21698	4.5
468.16992	4.3
468.22711	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	468.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21219	0.6
54.44954	0.6
54.82754	0.8
55.05552	0.7
56.01656	0.9
56.05031	1.4
57.03452	1.2
57.07088	6.4
58.06609	100.0
67.05514	1.9
69.07059	1.2
71.08636	4.6
76.07635	4.1
81.07063	1.8
83.08613	1.6
85.10189	1.5
95.08604	2.2
102.36378	0.9
109.10169	1.6
150.83377	0.9
152.99037	0.9
170.11876	1.0
212.65726	1.1
223.52391	1.0
265.65735	0.9
313.27362	25.3
357.07141	1.1
407.16470	0.9
450.29626	7.6
468.30704	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	468.3684
Annotation	3-hydroxyicosadienoylcarnitine
Peak:m/z	Relative Intensity
52.59419	4.1
55.05504	19.7
57.07073	9.4
67.05505	26.3
69.07063	26.7
71.08619	4.9
79.05473	8.0
81.07061	41.8
83.08631	24.0
85.65465	4.2
91.05460	5.8
92.20933	7.8
93.07047	10.3
95.08607	35.7
97.10158	26.3
100.07600	7.7
105.07053	4.4
107.08618	10.1
109.10154	22.8
121.10191	6.8
123.11695	10.9
125.09666	17.2
133.10130	18.5
151.59868	4.7
170.11780	9.9
192.88412	4.8
219.61507	4.9
262.22211	4.9
263.23700	20.0
280.26294	31.2
361.76318	5.5
415.84918	5.8
468.36862	100.0
468.42648	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	469.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57880	1.3
58.43789	1.3
60.04541	2.0
61.31036	1.2
70.06574	2.5
71.06113	6.0
72.04501	1.3
73.82076	1.3
73.99638	1.3
74.06074	2.3
77.00622	5.5
83.04900	1.4
83.59466	1.5
84.04554	1.7
84.08115	1.7
86.09692	8.4
92.01726	1.9
95.67515	1.3
105.34053	1.4
110.07156	11.5
113.05994	1.6
118.03241	18.0
120.04782	2.3
120.08052	10.7
126.05532	2.1
127.05060	8.0
129.10243	1.7
129.80824	1.6
130.03236	8.1
131.06432	2.0
133.13120	1.6
136.07567	17.4
142.08659	2.2
144.06575	2.7
145.05125	1.4
145.06081	11.7
146.06049	1.7
147.05875	66.7
149.07448	33.4
150.00516	1.6
156.07600	1.7
181.04691	1.6
184.09673	2.3
188.07060	7.6
189.27913	1.9
191.04854	69.4
192.06589	1.6
205.04654	2.2
205.09772	1.9
246.34027	1.6
248.05525	7.1
259.11157	3.1
277.15451	1.6
290.06738	5.4
307.09201	22.6
339.11542	100.0
418.62839	1.8
451.16757	15.7
469.18005	22.2
469.27789	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	469.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.1
55.01865	0.6
57.03438	0.6
69.03432	6.2
71.04986	4.1
81.03423	22.8
83.04972	3.7
85.02898	0.7
99.04456	10.7
102.89130	0.5
103.03945	1.2
109.02879	11.3
117.05510	3.8
127.03893	3.2
143.81821	0.5
147.09204	1.2
173.07185	0.6
175.08649	11.5
191.08150	100.0
203.08211	1.0
204.08890	2.1
231.11356	0.5
233.09177	1.1
243.11345	0.7
271.10861	2.1
289.11838	7.5
307.12857	29.1
308.93222	0.5
325.10284	1.1
325.13931	24.0
331.12845	4.9
349.13989	7.9
389.17133	4.1
397.13840	2.7
407.18127	2.5
415.14990	8.6
425.99948	0.6
433.16025	16.2
451.17130	23.3
469.18161	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	469.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
62.34917	0.3
66.64267	0.2
69.07087	0.3
83.08625	1.1
90.22450	0.2
91.05506	0.3
96.00531	0.3
103.05482	2.5
104.31853	0.3
111.08092	1.2
114.09767	0.3
120.08102	100.0
122.32141	0.3
131.04909	0.6
139.07564	0.6
139.21901	0.3
146.06067	0.6
149.05977	0.7
157.08603	0.4
166.08627	5.3
212.14291	0.4
240.13766	3.9
258.14871	15.9
276.15933	6.7
304.15417	5.2
322.16568	0.5
374.44052	0.3
377.22293	1.3
405.22247	0.5
423.22772	12.0
451.22168	4.9
451.32248	0.4
469.23334	8.1
469.29471	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	469.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95081	1.1
55.01862	2.0
55.05521	2.5
56.04780	1.2
56.05048	26.0
57.03445	11.6
62.38204	1.3
65.90710	1.0
67.05505	6.7
69.07048	2.0
69.67400	1.2
72.04489	4.7
74.06084	1.7
79.05495	6.1
81.07069	11.1
83.08636	4.8
85.06550	2.5
89.39411	1.1
91.05482	8.0
93.07032	8.2
95.04970	2.5
95.08624	10.0
97.06555	1.4
97.10207	1.5
102.05552	1.7
105.07038	7.8
107.08600	9.8
109.06526	53.0
109.10184	2.5
110.07162	4.9
117.07020	6.3
119.08579	7.2
121.10145	8.0
123.08052	2.4
129.06992	6.1
131.08553	11.5
133.10141	7.0
135.08064	64.2
135.11696	6.1
137.09550	1.4
138.99359	1.2
143.08597	6.8
145.10149	10.4
147.11708	1.4
149.09584	9.1
149.13214	2.0
157.10115	6.5
159.11691	6.5
161.09641	12.6
171.11665	1.5
173.13289	2.1
180.15030	1.3
185.13196	1.8
199.14868	2.5
208.14478	22.1
212.16452	1.4
217.15903	18.4
235.16977	1.5
252.17036	1.5
255.17384	2.9
270.18201	2.0
273.18561	11.0
288.50598	1.4
291.19559	70.1
315.46460	1.3
332.23355	1.3
335.23096	2.3
350.24271	2.1
368.25232	1.6
374.61292	1.5
393.84122	1.4
469.25275	100.0
469.30499	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	469.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02412	0.4
50.80381	0.4
53.03949	1.1
55.01878	1.2
55.05520	16.4
55.84733	0.4
57.03436	3.7
57.07082	5.8
58.23037	0.4
60.30963	0.6
61.02930	3.4
65.55064	0.5
67.05507	10.1
69.03437	11.1
69.07076	12.3
70.06586	0.9
71.04970	2.3
71.08626	2.3
73.02922	1.3
73.93584	0.5
79.05473	4.5
81.03414	3.9
81.07064	56.3
83.04988	46.0
83.08628	11.6
84.08141	0.6
85.02912	39.5
85.06548	17.4
87.04471	1.3
91.03944	0.8
91.05482	2.1
92.21357	0.9
93.07036	9.3
95.04975	1.0
95.08611	48.3
97.02894	12.0
97.06531	3.7
97.10172	6.1
98.42111	0.6
99.04479	1.3
99.08102	10.3
105.07040	4.8
107.08601	20.6
109.02891	4.1
109.06538	8.4
109.10162	32.3
110.07322	1.0
111.08100	18.5
111.11715	3.2
113.09624	2.1
117.07025	0.7
119.08588	7.3
121.10138	18.1
123.08053	3.2
123.11701	10.1
125.09642	3.6
127.03927	9.0
131.08595	2.7
133.10126	6.7
135.08005	0.6
135.11702	17.0
137.09636	0.8
137.13264	9.6
139.11176	6.1
145.04993	4.2
145.10159	4.7
147.11693	8.9
149.13271	6.6
151.11220	0.7
151.14828	0.8
153.12741	16.3
156.31880	0.5
157.15886	2.0
159.11693	3.9
161.13278	5.1
163.11249	0.7
163.14810	3.1
165.12764	9.3
173.13269	3.1
175.14795	2.6
177.05400	0.6
177.16342	0.9
179.14305	0.9
187.14886	0.8
189.16417	3.3
191.17912	5.9
193.15877	0.5
201.16385	2.3
207.17409	1.3
209.19006	11.6
215.17932	2.4
219.17470	0.7
233.19026	0.8
235.20590	0.8
250.40616	0.5
271.24271	1.3
289.25247	14.8
307.26312	100.0
469.18594	0.5
469.31549	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	469.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01825	1.5
53.03959	1.8
55.05520	10.2
57.03441	4.2
57.07075	6.7
57.47173	1.4
67.05515	21.8
69.03430	11.1
69.07072	32.8
71.04988	10.0
74.06075	3.9
79.05499	11.4
81.03440	7.1
81.07066	80.1
83.04975	8.8
83.08608	10.7
84.04511	2.5
84.08140	2.0
85.02910	41.3
85.06548	21.7
86.09731	2.9
91.05472	4.0
93.07034	24.8
95.04965	3.4
95.08610	100.0
97.02885	12.6
97.06512	6.7
97.10162	2.6
99.04440	3.3
99.08098	8.1
103.03957	2.5
105.07034	20.6
107.08603	39.2
109.02907	3.7
109.06534	7.3
109.10162	33.6
111.08096	9.3
111.11711	2.1
114.09181	2.7
119.08596	17.3
120.08118	2.9
121.10140	21.0
123.08057	2.6
123.11707	32.6
125.09711	2.1
127.03911	10.7
130.06549	3.9
131.08521	3.2
133.10126	15.0
135.08058	1.9
135.11716	18.4
137.09625	2.8
137.13264	8.6
139.11185	3.0
145.04999	2.3
145.10126	10.2
147.11696	24.1
149.13258	12.7
151.11212	2.3
153.02330	2.0
153.12740	2.5
159.11685	13.7
159.56496	1.9
161.13226	13.1
161.77206	1.7
163.14821	7.1
165.12689	3.2
167.60983	1.8
173.13235	2.7
175.08640	1.6
175.14839	3.0
177.16388	3.2
185.13263	1.9
187.14766	2.1
189.16402	1.9
201.16405	2.4
225.18582	2.5
268.09586	12.5
271.24237	2.4
289.25226	30.0
296.09351	13.5
304.12863	2.8
307.26309	98.0
324.11530	1.9
338.13858	3.0
339.14383	13.6
409.14621	10.1
433.30804	2.4
437.17511	2.6
451.31854	8.0
469.13901	2.4
469.20111	8.0
469.32645	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	469.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.8
59.05010	2.5
59.08562	0.5
62.31182	0.5
67.05510	1.2
69.07072	3.1
69.10360	0.5
71.04994	6.1
79.05507	3.4
81.07066	17.4
83.08611	0.8
89.06017	1.1
91.05501	2.3
93.07054	6.8
95.08607	10.8
97.06544	2.8
97.10182	0.6
99.08102	0.7
99.59464	0.5
105.07042	2.7
107.08605	7.7
109.06541	1.1
109.10162	2.5
110.44341	0.6
111.08142	0.5
119.08577	6.7
121.06477	0.7
121.10146	43.2
123.08064	3.9
123.11717	11.6
125.06001	7.2
125.09654	3.4
127.11182	2.5
131.08588	2.9
133.10158	3.9
134.30861	0.5
135.08093	1.0
135.11699	2.3
139.11189	12.6
143.08568	0.9
145.10143	5.7
145.84119	0.6
147.07959	0.6
147.11720	3.3
149.09590	7.0
149.82480	0.5
157.10135	3.0
159.11690	4.4
161.09575	0.7
161.13289	3.2
163.11137	1.0
167.10677	3.5
169.10135	0.9
171.11734	4.2
173.13301	2.7
173.43694	0.5
175.11139	1.1
175.14786	1.2
183.11694	2.2
185.13332	2.9
187.11205	1.2
187.14729	0.6
189.12781	0.8
197.13342	1.0
199.11165	0.7
199.14807	2.4
201.12834	2.4
203.14273	1.0
209.13284	1.1
211.14842	1.0
213.12830	2.4
213.16246	1.9
215.14333	0.9
225.16502	0.8
227.14384	1.0
227.17947	1.0
231.17473	2.3
237.16307	0.7
241.19366	0.8
269.19070	5.5
381.28027	2.8
433.31073	3.8
451.32257	8.2
469.33170	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.0
55.01861	1.0
55.05511	5.8
55.91896	1.0
67.05511	15.9
69.03420	2.5
69.07066	9.7
70.06621	1.6
71.04987	1.4
73.02928	1.3
79.05489	4.7
81.07055	21.0
83.04988	6.2
83.08616	9.5
85.02908	4.9
85.06549	4.3
91.05507	2.6
93.07046	10.1
95.04977	1.8
95.08608	22.7
97.02917	2.0
97.06523	8.8
97.10132	1.2
105.07046	13.0
107.08600	21.2
109.06536	5.2
109.10162	43.4
111.08091	4.9
117.07059	1.5
119.08578	16.7
121.06503	6.8
121.10116	12.5
123.08076	5.5
123.11706	7.9
125.09660	6.9
127.03902	1.9
131.08598	7.9
133.10133	15.4
135.08073	10.3
135.11707	5.8
137.09569	4.8
137.13278	2.1
142.09370	1.1
143.08565	2.8
145.10126	14.1
147.08089	5.0
147.11693	20.5
149.09602	4.8
149.13264	5.4
151.09953	2.0
151.11183	54.2
151.14801	1.9
157.10112	4.9
159.08069	2.0
159.11685	11.6
161.09660	6.6
161.13286	7.4
163.11180	1.7
163.14767	1.6
164.36249	1.2
165.12773	1.4
169.10155	2.2
169.12225	30.3
169.13573	1.3
171.11716	6.4
173.09615	2.5
173.13268	7.5
175.14824	9.8
179.14279	1.4
183.11699	1.8
185.09604	4.8
185.13271	6.1
187.11172	45.6
187.14832	8.9
189.16402	6.4
195.11766	2.2
196.16508	1.2
197.13257	10.4
199.14848	2.0
201.12619	1.4
201.16324	2.1
201.58473	1.2
203.14240	9.7
205.15912	2.1
211.14799	2.4
213.12810	2.2
213.16475	1.2
215.14275	15.9
217.15933	2.2
225.16374	1.5
227.14340	4.1
227.17923	1.2
231.13979	1.6
233.15302	1.6
237.03040	1.6
237.16406	1.3
241.15829	1.2
245.15332	27.8
251.17998	1.8
253.15999	1.8
289.25092	2.0
295.11624	2.1
307.12335	2.0
307.26312	10.0
308.63086	1.3
309.22150	1.7
323.11292	4.5
324.11887	5.1
337.12814	4.8
338.13858	4.9
339.14279	17.9
361.23746	2.5
364.12030	1.3
365.12268	5.7
366.12930	10.7
381.15262	22.1
393.27917	2.1
408.14423	2.5
409.14780	46.6
411.28860	13.2
415.29932	2.0
433.30969	9.1
439.32355	1.8
451.32065	38.3
469.17798	1.9
469.33124	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36344	1.4
53.00328	1.3
55.05510	3.5
57.07082	1.7
67.05511	26.2
69.07076	18.5
70.94709	1.4
79.05482	3.3
81.07058	30.3
83.05005	2.3
83.08628	2.1
85.06566	1.6
93.07044	11.7
95.05006	1.8
95.08604	28.0
97.06551	2.0
97.10163	2.6
99.08080	6.8
105.07046	8.5
107.08599	21.0
109.06552	2.0
109.10159	94.6
111.08028	2.5
119.08571	15.2
121.10161	15.5
123.11710	10.9
131.08611	6.4
133.10117	13.3
135.08083	3.1
135.11742	13.3
143.08571	4.1
145.10147	11.9
147.08014	2.7
147.11670	11.5
149.09665	2.5
149.13261	2.6
155.08598	3.4
157.10120	7.6
159.08069	3.0
159.11690	7.2
161.09639	6.5
161.13275	7.3
163.07553	1.7
169.10136	9.6
171.08131	3.2
171.11710	10.5
173.09657	7.3
173.13266	12.3
175.11172	2.0
175.14877	2.2
181.10086	2.7
183.11702	9.4
185.09607	17.2
185.13248	10.5
187.11200	3.6
187.14799	8.5
193.10033	2.1
195.11739	6.7
197.09720	2.5
197.13333	6.3
199.11194	9.9
199.14854	3.4
201.12794	2.6
207.11653	3.1
209.13300	3.5
211.11166	13.7
211.14851	8.2
213.12794	3.7
213.16289	2.4
221.13342	3.5
222.59492	1.8
223.11153	7.5
223.14742	3.6
225.12820	9.3
225.16481	3.0
227.14433	3.5
229.15858	2.2
235.14824	3.8
237.12825	2.3
237.16466	2.5
239.14328	4.0
239.17944	2.2
241.15910	2.2
247.14761	2.3
249.12566	1.8
249.16478	3.1
251.14339	2.8
251.17961	2.1
253.15829	2.2
258.19034	2.0
261.16336	2.3
263.17960	2.2
267.17447	3.4
273.16046	2.2
279.17496	3.0
281.22565	2.0
291.21030	2.1
293.18890	2.1
295.20660	2.4
305.22644	2.3
307.20325	2.4
309.22220	11.4
321.22177	15.0
323.23853	2.5
333.22192	8.4
339.23111	11.3
341.24850	2.1
343.22778	6.4
351.23181	12.7
369.24124	12.9
387.25137	14.3
395.25784	3.1
403.30151	7.6
405.31503	2.3
415.30411	2.1
421.30698	14.4
423.32761	2.5
433.31052	19.0
451.32080	64.4
469.33148	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	469.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43527	2.3
54.39850	2.2
67.05502	25.5
69.07051	22.1
79.05476	3.0
81.06640	3.9
81.07054	34.8
83.08640	4.9
92.21390	3.4
93.07032	11.5
95.08608	24.8
105.07038	5.6
107.08613	15.3
108.14476	2.9
109.06493	2.9
109.10150	74.1
109.94753	2.8
119.08576	6.9
121.10139	13.9
123.11688	7.2
125.53490	3.1
131.08582	5.9
133.10112	4.8
135.07967	3.7
135.11682	10.9
145.10086	12.2
147.11684	6.8
149.09572	3.9
149.13235	5.9
149.34436	2.9
157.10150	5.7
159.11578	2.9
161.13234	5.3
163.07500	3.2
168.09285	3.1
169.10023	4.7
171.11604	3.8
173.09639	4.0
173.13336	5.8
183.11685	6.2
185.09634	4.8
185.13309	3.9
187.11153	3.6
187.14738	5.5
199.11171	6.7
211.11105	13.1
225.12666	3.5
249.16306	5.3
260.94952	3.4
310.27359	5.5
321.22235	7.1
323.23764	3.7
333.22043	5.2
339.23077	6.9
351.23276	4.4
356.26776	3.3
369.24350	7.3
387.25232	4.9
403.29828	4.2
415.30515	3.6
421.30826	5.1
427.87564	3.1
433.30975	17.5
437.31192	5.8
451.32040	58.6
469.33353	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.9
55.05510	6.4
56.46939	0.8
57.03432	1.5
58.79219	0.9
60.18656	0.8
67.05510	17.9
69.03428	4.4
69.07069	11.5
70.06579	1.1
71.04979	2.2
79.05482	4.6
81.03419	1.1
81.07055	20.1
83.04978	2.3
83.08630	7.4
85.02927	3.2
85.06541	1.8
91.05457	4.4
93.07047	13.5
95.04987	3.6
95.08600	24.9
96.08929	1.7
97.02900	1.1
97.06514	10.2
99.08084	1.4
103.17988	0.9
105.07019	12.0
107.04950	1.2
107.08592	21.7
109.06504	6.2
109.10155	66.6
111.08064	1.5
119.08564	21.4
120.08942	1.4
121.06490	7.2
121.10143	12.2
123.08078	5.0
123.11687	9.7
125.09637	8.0
127.03910	2.2
127.11195	3.9
131.08565	4.6
133.10117	13.5
135.08052	8.8
135.11707	5.7
137.05933	1.0
137.09624	8.3
138.09929	3.7
143.08534	3.9
145.10133	14.8
147.08043	4.2
147.11678	25.9
149.09624	5.6
149.13257	4.9
151.11180	46.1
155.08612	1.5
157.10117	6.2
159.08047	4.7
159.11682	7.9
161.05859	1.1
161.09621	9.0
161.13245	10.5
163.11227	1.4
165.09213	1.1
165.12764	1.4
169.10132	1.2
169.12228	27.5
171.08025	4.0
171.11719	6.9
171.55499	1.0
173.09599	6.7
173.13246	8.2
175.11209	1.5
175.14755	10.1
182.10884	1.0
183.11714	1.9
185.09608	4.4
185.13228	7.2
187.11179	45.2
187.14774	7.6
189.16400	5.5
191.08066	3.3
191.14380	1.0
195.11665	1.7
197.13242	11.4
199.11211	4.5
199.14845	5.6
201.12691	2.0
201.16496	1.0
203.14279	8.8
205.15924	2.2
209.13347	1.4
211.14864	1.7
213.12746	5.3
213.16322	1.3
215.14288	16.2
217.15781	2.1
223.11252	1.1
223.14764	3.5
225.12807	1.5
225.16280	1.0
227.14293	7.3
233.15483	1.7
237.16319	1.2
239.14316	2.3
243.13847	1.0
245.15344	24.9
251.17946	2.0
253.15840	1.7
257.13718	1.7
258.14212	6.4
263.14008	1.3
265.15576	1.6
267.17386	1.1
269.18881	2.0
285.18329	1.0
293.18845	1.1
296.67584	1.0
301.18005	5.0
305.93558	1.1
307.12827	1.5
309.22070	1.8
311.19913	1.1
325.21509	1.6
343.22574	1.2
361.23456	2.1
375.26727	3.7
393.27820	5.5
395.25848	1.5
411.28809	8.9
415.29718	4.4
433.30936	18.2
451.25659	1.1
451.32071	56.8
469.15063	5.6
469.22556	6.4
469.33084	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3312
Annotation	3-Oxoglycyrrhetinate
Peak:m/z	Relative Intensity
53.80895	1.5
55.05519	2.8
55.44089	2.3
57.07111	1.8
62.17804	1.7
67.05519	29.4
69.03448	2.0
69.07065	17.0
69.23319	1.7
79.05508	2.5
81.07061	29.3
83.05007	3.1
83.08641	4.8
91.05526	4.2
91.07509	1.9
93.07030	16.3
95.08611	27.5
97.06549	2.2
97.10172	7.9
99.08121	4.4
105.07079	8.6
107.08603	17.6
109.06511	2.4
109.10165	97.9
109.10910	3.6
119.08564	18.8
121.10190	11.6
123.08079	2.6
123.11735	9.3
129.07112	2.1
131.08594	8.8
133.10172	9.9
135.11723	8.9
143.08609	7.8
145.10161	11.0
147.08087	3.6
147.11760	13.1
149.09694	2.6
149.13280	4.2
155.08630	3.3
156.09323	2.0
157.10144	8.3
159.08081	3.3
159.11772	10.4
161.09636	4.4
161.13347	10.1
163.07590	3.8
163.14877	2.1
169.10204	11.2
171.08093	3.1
171.11760	13.0
173.09712	9.1
173.13322	7.5
175.11186	4.5
175.14816	3.2
183.11754	11.8
185.09692	11.4
185.13312	8.8
187.11151	8.3
187.14909	8.1
195.11667	4.3
197.09636	3.1
197.13394	11.4
199.11256	10.5
199.14851	3.6
201.12856	2.4
209.13358	3.4
211.11285	13.1
211.14790	4.1
215.14256	2.5
221.13411	2.9
223.14912	3.2
225.12823	7.9
225.16345	6.5
227.14302	3.3
229.15979	3.4
233.13316	2.4
235.14946	2.2
237.12935	4.9
237.16339	2.4
239.14456	2.7
251.14426	2.0
264.91919	2.3
269.19226	2.6
293.19119	4.1
303.20993	2.2
309.22415	7.7
321.22318	11.4
333.22195	4.1
339.23288	9.3
343.22720	3.4
351.23340	11.2
365.25150	7.1
369.24463	11.0
387.25558	11.1
403.30322	4.6
415.30344	4.1
421.30975	15.6
433.31033	17.0
451.32065	67.9
461.00906	1.9
469.19238	3.1
469.26874	4.1
469.33334	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.9
55.05518	20.6
56.73718	1.6
57.07088	24.9
67.05509	10.2
69.07082	17.9
71.08635	20.8
77.38696	1.6
79.54575	1.9
81.07060	13.1
83.08624	78.9
84.61745	1.9
84.78537	1.6
85.10185	4.0
92.21540	2.6
93.07047	4.7
95.08617	19.1
97.10172	3.7
109.10187	4.2
111.08084	19.7
129.09073	2.1
149.53349	2.0
157.08603	4.7
175.09668	13.4
213.11293	3.4
469.35269	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07078	2.2
64.27810	0.3
70.06596	0.4
74.09727	3.6
84.08150	0.4
86.09690	0.4
96.08115	2.4
113.10794	0.7
114.09148	2.0
122.53203	0.3
129.10265	0.4
130.15918	100.0
137.95592	0.4
166.90251	0.4
196.25087	0.3
209.16489	7.4
226.19156	1.3
227.17540	2.3
322.24911	7.8
340.25928	23.9
357.66843	0.3
369.46701	0.3
450.85175	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	470.1445
Annotation	bucladesine
Peak:m/z	Relative Intensity
53.51381	0.2
57.07058	0.3
66.43180	0.2
69.07076	0.3
83.04984	0.3
85.02880	1.1
86.09667	0.5
88.82375	0.3
92.21368	0.4
95.08594	0.4
103.22951	0.3
127.03864	0.3
141.72470	0.2
177.05496	0.3
192.51320	0.3
204.89809	0.3
308.09167	100.0
351.12769	0.3
355.71402	0.3
426.17743	0.3
470.14465	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	470.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
60.36921	0.3
75.00562	0.2
84.12643	0.3
107.72417	0.3
143.92143	0.3
154.83144	0.3
179.96912	0.3
308.09177	100.0
470.14493	24.6
470.20078	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	470.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.74267	0.3
62.39958	0.3
65.21143	0.3
69.75665	0.3
70.06612	2.5
70.53394	0.3
72.08141	0.9
72.94647	0.3
82.76096	0.4
83.16229	0.4
84.04472	0.3
84.08133	1.9
84.59182	0.4
85.02900	0.4
86.09690	1.8
97.06876	0.4
101.46539	0.3
101.94073	0.3
125.08337	0.3
129.10205	1.6
230.12840	0.5
233.85664	0.4
248.13690	0.6
280.09808	2.6
306.07437	0.5
308.09171	100.0
470.14441	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	470.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.74267	0.3
62.39958	0.3
65.21143	0.3
69.75665	0.3
70.06612	2.5
70.53394	0.3
72.08141	0.9
72.94647	0.3
82.76096	0.4
83.16229	0.4
84.04472	0.3
84.08133	1.9
84.59182	0.4
85.02900	0.4
86.09690	1.8
97.06876	0.4
101.46539	0.3
101.94073	0.3
125.08337	0.3
129.10205	1.6
230.12840	0.5
233.85664	0.4
248.13690	0.6
280.09808	2.6
306.07437	0.5
308.09171	100.0
470.14441	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	470.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.9
56.05050	0.7
67.05517	1.2
69.07056	1.1
72.04522	1.5
73.35458	0.6
74.06093	1.3
76.05130	8.7
77.65040	0.6
81.07063	2.9
85.06553	1.1
88.11414	0.7
90.01770	0.6
91.05449	0.7
93.07070	0.8
95.04978	0.7
95.08621	2.9
98.93884	0.6
105.07028	0.8
107.08608	2.9
109.10167	0.8
110.07167	1.4
116.08195	1.5
118.05019	5.2
118.61836	0.8
119.08639	0.8
120.06581	0.8
121.10152	1.3
121.44096	0.7
123.08090	0.8
125.09607	1.2
133.10124	1.4
135.11624	0.9
137.09674	1.5
147.11682	1.1
160.07162	6.8
175.14914	0.8
177.09831	9.1
250.61266	0.6
277.21637	15.8
290.08105	7.5
294.24380	4.3
302.08069	2.4
304.05972	6.9
316.23630	0.7
318.07672	8.9
319.08411	36.2
334.10724	72.7
351.27631	1.4
394.10947	2.6
407.11066	0.9
408.12256	16.4
420.12231	8.9
422.10254	27.0
436.11807	47.4
437.12537	12.0
452.14948	29.0
452.32376	6.6
470.16028	100.0
470.33539	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	470.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.9
56.05050	0.7
67.05517	1.2
69.07056	1.1
72.04522	1.5
73.35458	0.6
74.06093	1.3
76.05130	8.7
77.65040	0.6
81.07063	2.9
85.06553	1.1
88.11414	0.7
90.01770	0.6
91.05449	0.7
93.07070	0.8
95.04978	0.7
95.08621	2.9
98.93884	0.6
105.07028	0.8
107.08608	2.9
109.10167	0.8
110.07167	1.4
116.08195	1.5
118.05019	5.2
118.61836	0.8
119.08639	0.8
120.06581	0.8
121.10152	1.3
121.44096	0.7
123.08090	0.8
125.09607	1.2
133.10124	1.4
135.11624	0.9
137.09674	1.5
147.11682	1.1
160.07162	6.8
175.14914	0.8
177.09831	9.1
250.61266	0.6
277.21637	15.8
290.08105	7.5
294.24380	4.3
302.08069	2.4
304.05972	6.9
316.23630	0.7
318.07672	8.9
319.08411	36.2
334.10724	72.7
351.27631	1.4
394.10947	2.6
407.11066	0.9
408.12256	16.4
420.12231	8.9
422.10254	27.0
436.11807	47.4
437.12537	12.0
452.14948	29.0
452.32376	6.6
470.16028	100.0
470.33539	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	470.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35593	1.3
51.51412	1.3
55.05516	3.4
61.02924	1.6
67.91221	1.3
69.03436	10.0
69.06702	2.5
69.07072	63.8
70.06580	8.5
71.04993	3.4
72.08150	3.5
73.02924	1.6
81.03413	9.0
82.94691	1.2
84.04488	1.5
84.08116	1.9
85.02906	74.6
86.09689	7.5
93.42090	1.5
95.08620	1.5
97.02891	24.0
99.04450	24.6
102.05528	2.9
103.03944	86.6
109.02872	11.6
111.11724	23.2
111.89880	1.7
112.91006	1.3
115.03912	1.4
123.85555	1.8
127.03912	100.0
129.10242	1.5
129.12762	37.2
131.08168	1.7
132.10214	1.9
134.63411	1.3
138.88037	1.4
138.92189	1.3
145.04959	44.8
147.13809	9.0
163.06017	36.7
169.13457	1.7
173.71922	1.6
177.05431	6.7
192.08463	1.6
226.14360	1.4
271.08176	7.5
289.09125	8.5
307.10178	32.8
327.11761	1.4
335.56329	1.7
421.44604	1.6
432.28290	1.6
439.24518	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	470.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07084	2.7
61.76259	1.1
67.05511	5.3
69.07068	2.0
70.06617	1.5
71.04999	1.3
71.08627	1.9
72.04522	2.0
74.06091	6.3
76.05125	12.9
81.07066	6.8
85.06548	2.7
93.07059	5.0
95.04994	4.7
95.08617	5.9
97.06507	2.2
97.10168	1.8
99.08083	1.4
105.07061	2.0
107.08627	6.8
109.06511	2.5
109.10165	4.3
110.07150	1.6
111.08107	2.2
116.08218	21.7
117.01662	1.1
118.05039	7.2
119.08647	2.3
120.06630	1.7
121.10153	2.7
123.08109	6.1
133.10170	2.1
135.11694	4.1
137.09610	8.9
138.05534	1.5
145.10164	1.8
147.11710	2.7
151.11217	2.7
152.11684	1.8
160.07153	14.9
161.13298	2.0
177.09821	22.8
177.11078	1.2
221.15361	1.4
235.17007	1.7
276.20364	1.5
276.23264	2.7
277.21616	82.1
293.25992	4.6
294.24258	21.1
316.23788	2.0
351.27444	2.1
372.22894	1.6
452.32281	6.2
470.33524	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
62.22554	0.6
65.03937	1.6
65.04826	0.6
67.05491	2.8
68.52190	0.7
69.03412	0.9
69.07079	1.1
71.04958	1.0
79.05503	1.2
81.07052	4.1
82.14285	0.8
82.36281	0.7
83.04977	0.8
83.08611	0.7
85.02904	3.0
86.09680	1.8
91.13097	0.6
93.03396	3.6
93.07049	1.0
95.08597	6.0
97.02889	68.6
105.07050	1.2
107.08583	1.4
109.10159	5.4
117.03364	4.2
119.08572	5.4
121.02863	1.5
121.10133	3.6
123.11716	1.6
127.03969	1.0
129.07001	1.4
133.10062	1.0
135.11777	1.2
145.02840	42.8
147.11685	1.1
149.02322	7.9
149.05945	1.2
151.03972	1.1
157.06479	4.4
159.11757	1.0
167.03386	25.6
167.04813	0.9
169.06465	1.7
177.05455	100.0
185.06081	1.5
187.14856	1.1
188.08228	0.9
189.05502	1.0
189.09138	5.7
199.07478	6.0
207.06531	0.8
217.08585	6.3
226.63737	0.8
227.07033	5.5
245.08086	6.0
273.07425	1.8
291.08606	24.4
309.09579	4.6
309.27768	3.8
327.77411	0.8
425.30313	0.8
453.33325	4.5
471.15283	1.6
471.26010	1.2
471.34457	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	471.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92944	0.3
55.05493	0.7
57.16028	0.3
64.70202	0.4
65.03915	0.5
67.05474	0.9
69.03405	0.7
69.07036	0.6
72.03391	0.4
74.35942	0.4
79.05470	0.3
81.07007	1.9
83.04966	0.5
83.08608	0.4
85.02851	0.9
86.09684	0.6
93.03365	0.7
93.07020	0.8
95.08556	2.7
97.02899	24.1
97.10104	0.5
97.31384	0.4
99.88699	0.5
105.07025	0.4
107.08549	0.9
109.10096	2.0
117.03326	1.9
119.08569	0.5
121.10123	0.6
123.11660	0.9
133.10124	0.9
135.11668	0.6
137.13220	0.7
144.82809	0.5
145.02855	14.5
145.10036	0.5
149.02257	2.5
149.13228	0.7
151.03882	0.5
157.06488	1.5
167.03389	8.1
169.06454	0.6
173.13152	0.5
177.05472	37.1
185.13370	0.5
189.09021	2.2
192.58159	0.5
199.07545	0.9
217.08568	2.1
227.07111	2.0
245.07980	2.1
273.07645	0.8
276.06329	0.5
290.08133	9.8
291.08682	7.1
291.26614	0.5
302.08063	3.5
304.06024	10.2
309.09698	1.0
309.27997	2.1
318.07599	12.7
319.08395	60.2
334.10736	100.0
339.10736	0.5
471.15543	40.5
471.25803	1.4
471.34573	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06559	0.4
78.30025	0.5
81.03436	0.6
94.92985	0.5
95.68419	0.5
97.38582	0.5
109.02890	0.9
119.01922	4.2
121.82612	0.5
133.03482	1.8
136.95554	0.5
137.02977	0.6
143.01845	7.3
145.03448	2.2
155.01840	1.0
157.03455	8.7
159.01341	1.0
161.02954	15.9
167.01848	2.5
169.03488	0.7
171.04974	0.7
173.02914	3.8
175.04524	9.8
183.05038	2.3
185.02939	10.7
187.04561	4.4
189.06091	1.2
191.04105	1.0
196.91260	0.5
199.04564	3.3
201.06177	4.3
203.04021	9.9
205.05481	0.8
217.05540	3.6
227.03999	2.3
241.05621	0.8
245.05125	4.8
259.06573	4.9
263.06055	0.6
277.07669	65.7
295.08731	100.0
309.02716	0.9
309.10220	0.5
318.10257	2.3
321.10278	0.8
411.13547	0.6
429.14709	0.9
471.09485	1.0
471.15616	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	471.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60361	1.1
62.85440	1.3
68.99625	1.2
75.85112	1.1
84.56271	1.2
91.62386	1.3
93.33446	1.3
101.00938	1.2
103.15321	1.3
110.16770	1.3
119.01949	2.1
143.01921	14.6
155.01898	6.9
157.03468	3.0
161.02957	39.1
172.28557	1.5
173.02991	17.6
175.04523	5.7
185.02974	13.0
187.04596	2.8
191.04099	2.0
203.04030	9.4
205.05583	2.4
209.53758	1.5
215.83406	1.6
217.05428	2.0
221.05144	1.9
245.05087	7.8
277.07700	100.0
295.08707	24.8
320.25247	1.4
346.81168	1.4
402.00845	1.4
411.12555	1.4
416.15994	1.6
471.07407	1.6
471.15240	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	471.186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.8
57.03435	2.5
57.91049	2.2
61.02935	4.0
64.30778	1.9
69.03434	27.3
70.06596	9.9
71.04995	3.7
73.02914	4.8
79.11400	2.1
81.03423	22.6
84.08156	2.9
84.82103	2.4
85.02908	69.5
86.09722	4.2
87.00836	24.3
91.05476	5.1
93.07063	2.5
97.02887	29.2
97.06549	3.9
99.04448	14.6
105.01866	24.1
105.07040	10.5
107.08595	9.9
109.02888	36.4
109.06509	3.4
111.08081	3.8
111.98135	2.1
114.09156	4.0
119.08582	9.4
121.06527	2.5
121.10137	13.4
123.08050	2.7
125.06012	2.7
127.03908	49.0
127.07510	3.1
129.01839	4.0
131.08566	3.5
133.10101	15.3
135.11696	20.9
137.09608	2.9
139.07559	3.0
145.04961	13.0
145.10114	17.1
147.08032	8.3
149.05969	5.7
159.02924	13.8
159.11685	34.3
161.09599	41.3
163.11168	88.7
175.11215	3.4
177.12743	23.9
187.11211	17.0
195.01013	9.9
204.11484	12.0
205.12236	79.3
209.16518	9.1
210.16783	5.0
216.97986	4.5
223.05943	5.4
223.13277	100.0
231.04970	5.3
234.98999	21.1
247.13248	15.9
249.02077	3.2
252.42964	2.8
252.57628	2.4
253.00040	2.8
265.14334	35.9
323.25125	9.7
339.05243	15.9
417.15341	4.6
436.33713	5.4
454.34793	40.7
471.09421	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	471.186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.8
57.03435	2.5
57.91049	2.2
61.02935	4.0
64.30778	1.9
69.03434	27.3
70.06596	9.9
71.04995	3.7
73.02914	4.8
79.11400	2.1
81.03423	22.6
84.08156	2.9
84.82103	2.4
85.02908	69.5
86.09722	4.2
87.00836	24.3
91.05476	5.1
93.07063	2.5
97.02887	29.2
97.06549	3.9
99.04448	14.6
105.01866	24.1
105.07040	10.5
107.08595	9.9
109.02888	36.4
109.06509	3.4
111.08081	3.8
111.98135	2.1
114.09156	4.0
119.08582	9.4
121.06527	2.5
121.10137	13.4
123.08050	2.7
125.06012	2.7
127.03908	49.0
127.07510	3.1
129.01839	4.0
131.08566	3.5
133.10101	15.3
135.11696	20.9
137.09608	2.9
139.07559	3.0
145.04961	13.0
145.10114	17.1
147.08032	8.3
149.05969	5.7
159.02924	13.8
159.11685	34.3
161.09599	41.3
163.11168	88.7
175.11215	3.4
177.12743	23.9
187.11211	17.0
195.01013	9.9
204.11484	12.0
205.12236	79.3
209.16518	9.1
210.16783	5.0
216.97986	4.5
223.05943	5.4
223.13277	100.0
231.04970	5.3
234.98999	21.1
247.13248	15.9
249.02077	3.2
252.42964	2.8
252.57628	2.4
253.00040	2.8
265.14334	35.9
323.25125	9.7
339.05243	15.9
417.15341	4.6
436.33713	5.4
454.34793	40.7
471.09421	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	471.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70731	0.4
55.05518	0.8
57.03440	1.3
58.00814	0.5
58.81590	0.5
59.04998	0.8
59.99117	6.9
60.04521	1.0
60.98167	0.5
63.96704	0.6
69.03434	14.9
70.06586	3.6
73.02908	0.6
77.01753	100.0
83.08631	2.8
84.08151	1.2
84.93587	0.5
85.02908	12.7
85.03372	0.8
86.09700	0.7
87.04469	13.5
90.46537	0.6
97.02900	14.4
97.03487	1.0
115.03928	11.9
119.02794	0.7
124.07677	0.6
127.03905	2.2
129.10226	0.8
133.04991	4.6
138.66136	0.6
140.07047	0.8
140.78194	0.5
145.04962	1.3
147.04443	2.7
177.05428	0.8
177.10564	9.7
177.37404	0.5
196.98070	0.6
208.02814	4.0
265.05142	0.7
309.07727	3.0
339.15921	4.5
384.37982	0.5
471.20111	90.5
480.68973	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	471.22
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90237	0.5
55.51341	0.5
59.78160	0.5
75.03371	0.6
100.82923	0.5
119.08620	1.3
121.10123	1.2
137.42488	0.5
201.03792	0.7
203.05290	2.2
206.35318	0.6
245.06439	1.0
275.07263	1.2
333.07928	27.1
335.09464	27.0
335.13333	1.0
337.25204	0.6
376.99869	0.6
453.33643	1.4
454.00269	0.6
471.22040	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05054	0.9
68.50211	1.0
69.08250	1.1
70.06589	5.3
71.64085	0.9
73.11739	0.9
74.99309	1.0
84.08148	67.1
86.09705	1.5
119.07314	16.2
127.08675	2.4
129.10243	100.0
130.08615	1.3
134.06027	1.2
135.06805	1.5
137.06010	1.6
143.33914	1.1
147.04442	11.8
150.05478	1.1
150.41260	1.0
155.08148	1.9
186.12320	1.2
207.11299	1.3
208.09737	2.1
224.75822	1.2
252.10208	6.1
254.11780	6.2
269.12833	18.4
273.78830	1.0
280.09714	4.8
283.14325	1.2
298.10751	4.4
300.68204	1.2
309.09750	1.3
309.14490	2.0
315.13419	7.2
381.17950	1.8
426.20218	1.8
454.19638	1.1
471.08835	1.6
471.22403	70.5
471.60312	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	471.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10035	0.5
59.75536	0.6
68.46767	0.6
70.06581	1.0
72.08170	0.8
84.08151	2.5
89.09653	0.6
110.07178	0.8
118.06546	1.5
128.74139	0.6
129.10217	3.4
132.08051	1.6
144.08078	6.9
146.06010	36.4
146.07167	1.2
147.04446	0.7
159.09137	5.4
170.06001	1.4
188.07069	100.0
205.09726	37.8
228.11072	0.8
262.06866	0.7
295.09442	0.9
296.09763	1.6
471.08691	1.5
471.22375	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	471.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57702	0.5
55.05505	0.9
56.05029	1.3
67.05516	4.4
69.07053	1.4
71.08623	3.6
72.04501	0.9
74.02439	1.1
74.06088	0.6
76.05123	2.5
79.05502	2.6
81.07057	3.6
83.04995	0.9
83.08630	1.1
83.50803	0.6
85.06528	0.7
85.12186	0.6
93.07034	4.6
95.08627	1.5
96.05624	10.6
99.08117	4.5
105.07053	0.8
107.08599	4.2
109.10148	3.3
109.42318	0.7
110.07207	0.8
112.08736	3.4
116.08196	1.0
118.05055	0.9
119.08578	1.1
121.10151	2.3
125.09627	2.6
126.10281	1.4
127.11115	0.7
133.10124	1.1
135.11708	3.4
147.11685	1.3
147.40903	0.8
149.13190	1.1
151.11171	7.7
152.11763	0.8
155.10570	1.0
160.07133	1.3
161.13242	3.1
163.11151	2.6
168.11346	4.5
168.14986	0.6
169.12093	3.6
171.11685	0.9
172.13347	2.7
175.14722	0.7
177.09854	4.3
179.14307	1.5
182.12830	1.0
182.16560	0.8
186.15065	0.7
189.12837	0.7
210.16031	4.6
220.14484	2.5
224.17635	9.7
226.85950	0.7
238.15508	3.3
238.19080	1.5
240.16992	5.5
252.20679	2.5
254.18622	0.7
256.16553	10.6
259.20520	0.9
266.22205	6.4
277.21619	8.8
280.23868	1.5
294.25391	2.9
295.22626	15.0
310.21078	1.1
338.24448	1.0
352.26202	0.8
354.27347	1.3
357.21381	0.8
370.26880	13.1
426.29675	3.6
439.29309	0.7
471.31735	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.0
56.05029	1.2
59.61237	0.6
63.41722	0.5
67.05493	2.8
69.04545	0.8
69.07069	1.5
71.04977	0.6
71.08597	0.8
72.04521	1.6
74.02422	2.5
74.06071	0.8
76.05116	3.3
78.02163	0.6
79.05492	1.3
81.07056	2.5
83.04970	0.9
83.08608	0.7
84.08059	0.7
93.07026	1.6
95.08599	3.7
96.05609	10.0
97.10172	0.9
100.11232	0.7
102.06657	0.7
105.06997	0.7
107.08583	3.6
109.10144	4.0
110.07167	12.2
111.08054	1.1
112.08720	4.4
116.08201	0.9
116.10722	1.0
118.05009	1.4
119.08557	2.6
121.10143	3.6
123.11710	1.1
125.09589	1.3
126.10236	3.1
133.10135	2.8
135.07794	0.6
135.11674	2.9
136.08591	0.9
140.11780	2.2
145.10129	1.1
147.11748	1.2
149.13245	0.8
159.11673	0.9
160.07184	0.9
161.13211	1.0
166.13356	4.4
168.11263	0.6
168.14935	4.0
169.12047	3.0
173.13210	0.9
177.09891	1.5
178.13385	0.8
179.14288	0.8
180.14740	0.8
182.12852	1.4
182.16483	3.7
184.14450	9.0
187.14787	1.3
192.15015	4.7
207.17574	0.7
210.16167	4.6
234.16049	1.3
238.19205	0.7
252.16951	0.8
254.18573	1.4
270.18036	5.0
278.21820	1.3
282.18106	4.5
285.19098	1.0
292.22607	0.9
293.22983	2.9
294.24643	3.0
296.19720	8.1
316.23831	1.2
334.24719	1.2
337.24918	1.6
338.24283	3.3
352.25800	1.2
354.27463	1.0
370.26971	9.9
371.22717	2.9
385.27274	0.7
397.27625	1.0
426.29327	3.2
435.32538	1.1
438.23254	0.7
453.33298	4.3
471.31644	100.0
494.46188	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	471.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
55.05521	14.8
56.67205	0.8
57.03434	1.7
57.07072	4.7
61.02919	1.2
64.45284	1.0
67.05505	6.5
69.03446	7.3
69.07080	16.1
75.96844	1.0
81.03424	2.1
81.07059	22.7
82.99583	1.1
83.04986	40.1
83.08626	8.1
85.02912	23.4
85.06544	2.2
92.21522	1.6
93.07039	6.6
95.08608	21.7
97.02876	4.8
97.06530	1.9
97.10159	6.8
99.04456	1.8
99.08071	1.2
105.07021	1.0
107.08595	8.3
109.02872	2.2
109.06518	6.1
109.10147	16.4
111.08083	14.7
114.20197	0.9
119.08572	3.9
121.10129	6.5
123.11677	9.9
125.09631	4.4
127.03909	5.0
133.10092	2.1
135.11684	6.3
137.13286	9.2
139.11188	2.1
145.10120	1.0
147.11684	2.4
149.13277	6.4
151.11174	1.1
152.53856	1.2
153.12764	2.5
161.13287	1.3
163.14752	1.7
174.86494	1.0
175.14696	1.2
189.27220	1.1
231.46080	1.1
291.26810	5.1
309.27875	100.0
400.32425	1.2
450.03018	1.2
471.33340	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	471.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	5.0
55.05513	19.9
57.07059	4.8
59.15104	4.5
65.05866	4.3
67.05502	32.8
69.03423	22.4
69.07066	34.6
69.37376	4.5
79.05496	8.7
81.07063	100.0
83.08622	20.6
85.02916	60.9
85.06560	24.6
93.07040	45.2
95.08613	78.8
97.02896	20.8
99.04467	5.2
99.08096	7.2
105.07027	10.4
107.08590	48.2
109.02930	6.3
109.10155	54.0
111.11720	6.4
119.08566	8.7
121.10126	46.0
123.11698	45.2
125.09607	8.4
127.03909	12.3
133.10106	11.0
135.11716	43.7
137.13278	9.5
147.11703	7.8
149.13261	51.8
161.13220	9.3
163.14812	21.4
172.28572	6.5
175.14769	8.2
177.16371	6.6
231.26343	5.4
273.25702	9.3
291.26849	62.9
308.12787	5.4
308.47797	6.4
309.27759	27.4
367.40833	5.9
410.09348	5.4
432.81479	6.1
466.35983	5.2
471.26031	8.0
471.33841	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	471.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59900	2.3
55.05524	24.2
57.03456	3.8
57.07089	5.5
60.53924	2.8
61.02936	3.2
63.64695	2.5
65.00678	2.7
67.05512	16.9
67.42874	2.3
69.03439	5.9
69.07076	77.9
71.04985	4.0
79.05502	13.5
81.03437	4.7
81.06617	4.7
81.07068	100.0
82.81253	2.3
83.04960	2.4
83.08613	26.0
85.02917	32.8
85.06546	13.9
93.07044	35.1
94.84728	2.8
95.05006	3.5
95.08611	91.3
97.02892	13.2
97.06519	4.3
97.10171	16.4
99.08095	25.7
101.54885	2.5
101.92986	3.1
103.55173	2.4
105.07037	15.4
107.08597	61.4
109.10161	57.9
109.94772	2.8
111.08076	4.2
111.11719	16.9
113.09676	3.0
118.95947	2.7
119.08608	17.6
121.10146	56.0
123.11732	27.5
125.09602	3.5
127.03930	3.8
127.11196	4.4
131.08597	3.2
133.10109	19.6
135.11676	29.6
137.06810	2.9
137.13260	28.0
138.62903	2.5
139.11182	16.6
145.02899	4.5
145.10124	3.9
147.11694	12.4
149.09653	3.2
149.13269	43.2
157.10110	3.9
159.11691	5.4
161.13219	5.1
163.14816	15.4
169.10098	3.1
173.13245	3.6
177.05463	16.5
177.16444	21.9
183.11688	2.8
185.13268	3.3
195.17479	16.7
197.13191	3.9
203.17982	5.3
213.18484	47.0
222.18611	3.2
291.26840	33.5
309.27838	44.2
319.08432	13.4
334.10895	22.4
343.34741	2.7
345.23642	2.9
423.55228	2.8
435.32581	6.5
453.33499	13.9
471.15308	11.5
471.34567	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	471.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03671	4.3
55.05516	10.2
60.55836	4.0
65.15492	4.0
65.55542	4.7
67.05519	25.3
69.03421	20.5
69.07077	61.1
70.06606	9.6
74.58411	4.5
79.05520	8.5
81.07072	97.1
83.08624	30.1
83.53480	4.4
85.02908	36.6
85.06551	23.0
91.05524	8.0
93.07030	39.5
95.08614	100.0
97.02888	30.5
97.06472	5.2
97.10166	7.2
99.08089	19.5
105.07040	10.5
107.08603	58.5
109.02882	7.9
109.10177	67.0
110.03670	5.2
111.11718	5.9
119.08572	8.4
121.10163	61.5
123.11706	38.8
125.09662	8.4
127.03925	8.0
131.05048	4.9
133.10112	9.5
133.72815	5.9
135.08070	5.4
135.11700	32.1
137.13321	9.2
139.11209	7.2
145.02867	20.9
147.11662	9.5
149.13298	47.0
159.11617	5.6
161.13193	6.6
163.14848	22.4
167.03459	5.7
177.05533	56.3
177.16466	19.8
187.14835	5.8
195.17438	9.1
199.14709	5.5
213.18506	23.1
258.86716	5.2
291.26807	47.2
298.39374	5.7
309.27881	31.8
453.33105	6.9
471.18732	6.7
471.27014	11.3
471.34427	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	471.3465
Annotation	Gypsogenin
Peak:m/z	Relative Intensity
55.05522	4.3
57.07076	4.5
58.20980	2.3
67.05510	19.3
67.05809	2.3
69.03435	3.9
69.07072	35.3
71.04986	2.6
73.54819	2.5
75.37279	2.6
75.47091	2.4
78.74339	2.5
79.05500	6.0
81.07065	57.9
83.08615	11.6
85.02910	3.3
85.06548	6.5
93.07047	21.3
95.08617	38.4
97.02876	2.5
99.08087	21.6
105.07040	13.8
107.08597	23.1
109.06502	5.5
109.10160	82.0
110.06977	2.9
111.08117	2.4
117.06963	3.6
119.08594	25.6
121.06512	3.4
121.10122	31.6
123.11701	14.8
125.09591	4.2
131.08545	10.2
133.10107	16.1
135.08064	4.7
135.11684	15.8
143.08527	3.1
145.10129	19.7
147.11684	14.6
149.13179	3.0
151.11154	3.7
157.10121	10.4
159.11667	11.2
161.09601	5.7
161.13283	11.8
163.14771	4.4
169.10130	4.3
171.11668	11.2
173.09686	4.3
173.13255	11.2
175.14836	16.0
177.05434	10.3
182.99065	2.6
183.11723	5.0
184.35670	2.6
185.13214	12.1
187.14828	14.0
189.16498	3.5
197.13263	11.9
205.15952	4.1
209.13271	4.3
211.14798	4.0
223.14732	4.2
223.16808	3.4
225.16357	3.8
227.18074	4.1
239.18019	4.9
241.19577	4.4
253.19464	2.9
265.19843	2.9
291.26956	3.5
297.22324	4.1
307.20767	2.8
329.24936	3.7
407.33377	3.1
417.31302	3.9
423.32349	5.5
425.33755	3.2
435.32437	24.8
453.33633	73.0
471.25650	17.9
471.34525	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3469
Annotation	3alpha-Hydroxyglycyrrhetinate
Peak:m/z	Relative Intensity
55.05512	3.7
55.45786	0.5
57.07082	2.8
58.77335	0.6
60.44733	0.6
67.05505	7.0
69.03446	1.4
69.07079	10.5
75.04310	0.6
79.05495	3.0
81.07065	18.2
83.04989	1.0
83.08636	3.0
85.02910	1.5
85.06538	1.3
91.05471	1.1
93.07051	6.6
95.05016	1.0
95.08611	13.5
97.06554	1.3
97.10152	1.1
99.08099	5.8
105.07027	5.5
107.08591	9.9
109.06542	1.6
109.10163	27.7
116.39326	0.7
117.06982	0.8
119.08591	7.1
121.10136	9.2
123.08067	3.0
123.11699	4.9
131.08586	2.9
133.10110	5.8
134.74231	0.8
135.08089	1.7
135.11673	6.2
137.09682	1.0
137.13269	1.0
139.11154	0.8
143.08562	3.7
145.10124	4.6
147.07999	0.8
147.11719	4.7
149.13266	2.9
151.11182	1.4
155.03140	1.0
155.08595	1.4
157.10152	4.3
159.11673	5.7
161.09480	0.8
161.13278	1.7
163.14755	1.4
169.10156	3.3
170.72261	0.7
171.11717	4.0
173.13269	5.8
175.11151	1.2
175.14833	3.5
177.05473	1.4
177.16418	1.4
181.10144	0.9
183.11664	1.3
185.13301	3.4
187.11221	1.1
187.14839	4.9
189.16306	1.0
195.11655	1.1
197.13260	3.0
199.14847	3.5
201.03810	1.2
201.12743	1.0
203.05315	2.7
209.13301	1.1
211.14822	3.6
213.16464	1.2
223.14868	1.5
225.16422	1.1
227.17984	2.8
237.16292	1.2
239.14319	0.7
243.17514	1.4
265.19495	1.4
269.19083	1.0
275.07480	1.6
281.22769	0.8
283.20670	0.7
291.26810	1.7
295.20767	0.9
297.22110	1.0
305.22717	1.1
307.20541	0.8
319.08221	4.2
320.08752	1.4
323.23633	1.1
333.07919	34.1
334.10907	1.1
335.09387	31.4
337.25385	1.1
371.26083	1.2
407.32916	2.6
417.31158	1.7
423.32462	1.4
425.34161	1.4
427.19086	0.9
435.32489	10.6
453.33640	20.4
471.22052	100.0
471.34592	31.1
473.90662	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	471.3468
Annotation	Gypsogenin
Peak:m/z	Relative Intensity
55.98034	1.8
55.99707	1.8
57.07103	2.3
59.05012	2.2
63.80213	1.8
66.24161	1.8
67.05507	8.3
69.07071	7.8
71.05010	4.5
75.05785	1.7
79.05514	3.0
81.07069	18.4
83.08636	3.1
91.05479	4.1
93.07063	10.8
95.08622	22.1
97.06566	3.1
97.10154	9.4
99.08089	2.8
105.07037	9.5
107.08604	18.6
109.06522	3.0
109.10141	29.0
119.08580	100.0
121.10149	63.8
123.08080	3.7
123.11718	8.7
125.09662	9.4
127.11214	16.0
131.08563	4.0
133.10147	17.4
135.08144	3.7
135.11688	10.1
143.08531	3.4
143.10690	3.4
143.95903	2.1
145.10092	22.5
147.11711	14.4
149.09596	3.1
149.13313	3.5
155.07216	2.3
157.10115	12.2
159.11700	24.5
161.13235	8.3
163.11169	3.3
169.10179	3.0
171.11711	20.1
173.13226	11.4
175.14873	3.5
179.24150	2.1
183.11678	8.3
185.13289	16.4
186.71986	2.0
187.14879	12.3
197.13254	8.8
199.11183	2.6
199.14795	7.1
201.16371	3.5
209.13203	3.7
211.14801	8.4
213.16377	4.0
215.14265	4.1
223.14781	2.2
225.16376	4.9
243.17392	4.9
253.19495	2.4
267.21109	2.2
291.21088	2.3
409.30954	8.3
417.31604	8.2
435.32642	27.5
453.33630	91.0
454.34464	3.1
471.34677	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	471.3468
Annotation	Gypsogenin
Peak:m/z	Relative Intensity
61.90310	4.5
65.50135	4.1
67.05507	6.8
69.07065	8.1
81.07059	38.8
91.37487	4.2
93.07042	20.9
95.08597	32.2
99.08090	18.4
100.63482	4.7
107.08605	20.5
109.10168	64.5
118.15218	4.4
119.08597	29.2
120.73841	4.2
121.10130	10.3
123.11691	18.7
131.08546	8.6
133.10165	8.2
135.11771	9.6
145.10095	7.2
147.11664	18.5
159.11688	5.6
161.13266	11.0
169.10046	5.3
171.11700	9.7
215.17763	4.3
309.22284	5.8
417.31610	7.5
423.32529	9.2
435.32516	24.7
453.33640	92.7
467.03622	4.9
471.34790	100.0
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	Unknow
Peak:m/z	Relative Intensity
51.55348	1.2
55.05518	2.3
58.75136	1.2
59.05003	1.6
67.05515	5.7
69.07063	6.6
71.04993	6.7
74.87991	1.4
79.05495	2.5
81.07054	10.4
82.55090	1.4
83.08622	2.7
85.06580	1.5
91.05486	2.4
93.07026	7.6
95.08617	16.9
97.06516	1.7
97.10156	3.2
99.08047	2.1
105.07034	9.1
107.08584	16.4
109.06526	1.7
109.10148	23.5
119.08578	100.0
119.09439	3.3
121.06538	1.6
121.10131	29.3
123.08038	2.4
123.11699	9.7
125.09634	11.6
127.11201	15.4
131.08566	7.3
133.10121	12.2
135.08105	3.0
135.11684	8.8
139.03476	1.6
139.11198	2.8
143.08586	6.3
143.10648	2.7
145.10118	21.2
147.07999	1.4
147.11662	13.4
149.09647	2.2
149.13245	3.3
156.09996	1.6
157.10115	12.6
159.11681	20.0
161.13258	3.2
163.11191	3.4
165.12657	1.6
169.10110	2.5
171.11636	14.7
173.13272	9.7
175.11139	2.2
175.14738	2.6
177.05466	2.9
183.11693	7.5
185.13206	10.3
187.14827	6.6
189.12660	2.5
189.16460	2.0
197.13264	8.9
199.14803	2.5
201.16367	6.2
203.14258	1.8
205.16025	1.7
209.13286	2.4
211.14825	6.1
213.16388	5.9
215.14204	2.5
215.17953	3.1
223.14735	3.1
225.16362	7.4
239.17873	1.5
243.17477	2.0
265.19589	3.2
267.17499	1.7
267.21048	1.8
271.20477	1.6
295.24658	1.6
347.25729	2.2
391.29782	2.6
409.30890	2.3
417.31473	8.6
425.30157	2.4
435.32565	32.9
453.33652	83.2
471.34726	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	471.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	4.1
57.07090	3.9
59.24347	3.3
61.07510	3.2
67.05503	19.0
69.03441	6.5
69.07061	24.5
72.44724	3.1
79.05493	6.7
81.07064	52.1
83.08620	8.7
85.02886	4.1
91.05481	6.7
93.07033	25.8
95.04974	4.5
95.08614	58.2
97.02898	5.4
99.08091	7.8
103.88737	3.9
105.07035	22.8
107.08601	48.3
109.10152	77.7
117.06997	5.5
119.08591	42.9
120.66000	3.4
121.10145	23.0
123.11723	9.0
123.87137	4.0
125.05965	4.5
131.08549	16.9
133.10155	36.7
135.04369	14.0
135.08069	8.3
135.11687	16.8
143.08548	4.2
145.02814	6.9
145.10146	36.1
147.08076	4.2
147.11703	22.4
149.05994	28.1
149.13237	15.2
157.10104	7.9
159.11679	25.3
159.12935	3.9
161.09503	5.0
161.13266	9.1
163.11122	4.2
163.14748	4.5
169.10097	6.6
171.11711	20.1
173.09586	5.6
173.13187	16.0
175.11284	13.4
175.14821	18.9
177.05479	31.4
177.12657	4.1
183.11659	7.0
185.13167	7.3
187.11070	4.1
187.14766	38.8
195.11612	4.9
197.13249	5.1
199.14792	7.3
203.14435	4.7
215.14265	8.6
220.55888	4.3
223.14777	4.3
225.16443	7.9
226.60193	3.5
227.17828	5.1
231.17358	5.9
233.15273	27.3
237.16304	6.1
241.15962	4.3
243.17433	13.1
251.74872	3.7
279.20758	4.0
309.27924	7.0
334.10934	7.0
346.65897	4.0
355.26331	8.6
396.29590	5.6
417.31409	5.6
423.83310	4.7
435.32648	59.9
436.33035	6.1
453.33594	100.0
454.33881	15.3
471.21503	5.8
471.34799	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	472.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71998	0.1
55.05492	0.2
70.06586	1.1
72.04498	0.2
72.08163	1.9
84.04508	0.2
84.08147	1.7
86.09714	2.5
87.09982	0.2
88.07597	0.3
90.98989	0.1
110.07147	0.2
111.42072	0.1
116.07051	0.7
129.10226	1.7
147.07591	0.2
152.39981	0.1
201.60594	0.1
267.08774	0.2
295.08389	10.9
309.10364	0.2
310.10730	100.0
408.43332	0.2
472.16040	26.8
472.26730	0.7
472.33807	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	472.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28788	1.9
53.03947	2.9
55.01880	2.3
55.05517	2.1
57.03438	9.0
57.29117	2.1
61.02932	3.5
69.03433	67.5
70.06583	9.5
72.08160	4.5
73.02928	4.9
73.19270	2.3
81.03426	16.5
83.04987	5.6
84.08144	5.6
85.02908	100.0
86.09695	10.9
87.00834	46.9
87.04464	18.7
97.02901	72.5
99.04443	15.2
102.61842	2.3
103.03977	3.4
105.01876	70.6
109.02877	24.6
111.04469	3.9
115.03928	27.8
119.89976	2.4
127.03912	87.7
129.05473	2.8
129.10196	3.3
133.04976	4.8
143.10632	3.0
145.04953	27.0
150.07613	11.3
159.02907	13.6
177.05490	3.2
189.03880	3.3
213.03908	5.3
223.05960	2.3
231.04988	29.5
241.07071	3.4
249.06058	26.3
305.12274	14.6
327.07050	9.2
345.08206	30.7
363.09140	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	472.275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91221	1.3
53.94032	1.0
54.66540	1.2
55.54015	1.0
55.77564	1.1
57.03439	5.9
58.00220	1.2
61.02930	23.9
69.03437	10.7
69.07056	1.8
69.32827	1.5
71.05016	1.8
73.02931	10.4
79.60898	1.3
81.03404	2.4
85.02905	100.0
86.09683	1.4
91.03960	33.5
95.08601	6.0
97.02880	28.4
99.04465	6.5
103.03928	1.7
107.08598	1.5
109.02859	7.3
109.10199	1.8
115.03872	1.5
123.11863	1.5
127.03909	29.9
145.04961	38.7
163.06003	31.6
189.10507	2.7
207.11404	1.7
240.30605	1.5
292.47110	1.6
293.19672	11.3
316.06464	1.6
325.11487	2.4
454.33606	2.7
461.80719	1.6
472.34995	2.3
492.40778	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	472.275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.4
55.01877	1.0
57.03444	2.7
57.07078	0.7
61.02933	7.6
67.79462	0.4
69.03439	9.6
71.04997	1.9
73.02921	2.7
74.15099	0.4
77.22222	0.5
81.03423	5.0
81.07078	0.6
85.02910	100.0
87.04455	2.5
91.03957	5.8
97.02895	24.0
99.04454	4.4
103.03939	0.5
107.08611	0.5
107.64832	0.4
109.02889	9.3
115.03944	0.5
121.10170	0.5
127.03915	28.7
145.04964	39.3
148.17909	0.4
163.06017	18.3
293.19571	7.2
318.19904	0.5
325.11154	3.4
367.58075	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	472.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.7
56.05040	3.1
58.04091	1.5
59.04865	0.7
60.04530	3.7
60.05658	1.3
62.38455	0.6
67.05511	1.1
69.07065	0.8
70.06597	2.7
71.99174	0.6
72.04518	5.7
74.02456	0.8
74.06083	16.9
75.61409	0.6
76.05133	16.2
79.05515	0.8
81.07060	3.2
83.08639	2.5
84.05637	0.7
84.08175	0.7
86.06096	0.6
93.07094	0.7
95.02888	0.6
95.08614	3.5
98.10529	0.6
100.11295	0.9
102.05543	0.7
102.06659	6.2
102.71326	0.7
105.07074	1.0
107.08603	1.6
109.10155	5.1
110.09673	0.8
116.08215	100.0
117.20055	0.6
118.05013	16.1
119.08577	1.4
120.06552	2.8
121.10175	2.9
123.11739	1.3
123.87050	0.7
124.08743	0.9
128.11873	1.1
128.14381	0.9
131.02657	0.6
135.11746	1.2
137.09538	0.7
142.15909	1.5
147.11760	0.9
149.13274	1.0
160.07161	26.8
168.17490	11.4
177.09834	19.9
182.15445	0.8
184.17012	3.8
186.11342	1.1
199.18109	1.1
203.14030	0.9
212.16496	2.6
224.20416	0.7
225.19629	3.1
243.21863	1.6
244.33037	0.8
279.21997	3.0
287.20737	19.7
300.24124	2.9
318.25473	1.2
339.27704	0.9
340.27173	1.0
344.22827	4.7
353.29190	2.8
419.77432	0.7
436.33212	0.8
454.33710	9.2
472.35040	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	472.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05043	11.3
57.07086	10.5
57.88364	1.0
58.04113	1.6
60.05663	2.0
67.05515	2.5
69.07086	2.6
70.06586	2.1
72.04530	6.3
74.02475	1.2
74.06083	13.1
76.05128	31.2
81.07074	5.0
81.73071	1.1
83.08611	1.1
85.06538	1.1
86.07206	1.4
86.09705	16.1
87.95582	1.0
93.07080	1.7
95.08630	4.1
98.06117	1.1
102.05570	5.9
107.08607	2.3
109.06525	2.0
109.10181	5.1
114.06705	1.1
116.08216	42.8
118.05014	23.6
120.06618	6.7
124.11287	4.4
126.12833	1.9
127.11242	4.3
128.14391	1.2
131.09332	1.3
135.07701	1.2
135.11723	2.4
137.06012	5.0
144.05589	1.1
144.06535	9.9
152.10786	1.3
154.12321	5.1
159.09148	11.9
160.07162	36.9
166.15956	1.8
168.94398	1.2
169.16553	1.0
171.14999	5.2
177.09828	38.1
185.16533	2.0
187.14337	1.6
188.07129	2.3
194.16699	1.6
197.16602	4.8
222.14949	1.6
228.16043	5.7
236.55237	1.2
245.18661	2.0
272.20691	1.3
287.19693	13.9
288.19290	2.0
305.47565	1.1
316.19778	11.1
318.25513	1.6
353.29254	2.5
426.23880	5.0
454.23734	1.6
454.33795	10.1
472.24265	3.1
472.34946	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06795	0.2
56.79159	0.2
58.44060	0.2
67.05522	0.3
69.07072	0.2
73.44818	0.3
79.51743	0.2
80.42682	0.2
81.07039	0.4
92.21386	0.3
93.13795	0.2
95.08610	0.5
99.41691	0.3
106.23106	0.3
149.05991	0.5
155.14325	0.3
174.05446	0.3
200.14505	0.2
213.09209	0.3
292.09665	11.6
304.09750	2.5
306.07660	3.5
319.08337	1.7
320.09134	12.4
321.09958	29.1
334.10785	3.7
336.12289	100.0
457.13895	0.6
473.17001	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	473.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60413	0.3
53.50736	0.2
63.74670	0.3
81.07064	0.7
84.70999	0.3
92.20880	0.3
92.21379	0.8
95.08597	0.5
101.82227	0.3
109.02828	0.3
109.10162	0.4
121.10157	0.3
132.59985	0.3
135.63083	0.3
278.07999	0.4
292.09711	12.7
304.09732	1.6
306.07660	3.0
320.09189	12.4
321.06097	0.7
321.09961	30.1
336.12302	100.0
353.10345	0.4
473.17102	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	473.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05041	0.2
56.09945	0.2
61.19772	0.2
66.51550	0.3
66.84692	0.2
67.46545	0.2
69.07058	0.3
71.04998	0.3
71.08658	0.3
72.04522	0.3
74.06076	3.6
75.30962	0.2
76.05115	1.8
78.06158	0.3
81.07066	0.5
86.09700	5.9
86.95010	0.2
88.02314	0.2
88.70987	0.3
95.08605	1.2
96.05599	0.5
107.08546	0.5
109.10155	0.4
114.05501	0.3
116.08216	1.7
117.08588	0.3
118.04993	0.5
121.10168	0.3
130.88855	0.3
145.10075	0.3
146.11740	1.0
147.11740	0.3
155.08076	0.4
160.07164	1.6
166.13382	0.4
177.09842	1.2
187.14557	0.6
197.09238	1.3
215.10333	0.4
278.08157	0.4
282.18152	0.4
292.09662	12.4
293.21094	0.4
300.19122	0.3
304.09641	2.0
306.07608	3.7
307.08502	0.3
310.17523	0.6
318.07501	0.3
320.09189	11.2
321.09955	29.3
328.18613	1.4
336.12283	100.0
441.27109	0.6
455.34354	0.6
473.17136	11.7
473.29858	2.7
473.36111	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	473.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84343	0.6
54.70170	0.6
61.02132	0.5
63.64322	0.5
70.06593	0.8
72.08156	1.0
86.09709	5.0
97.53289	0.7
137.87843	0.6
147.52249	0.7
165.39200	0.7
203.05264	8.6
222.70984	0.6
247.13173	0.6
249.14569	6.3
251.12480	0.7
293.13583	2.9
305.37424	0.6
311.14679	32.6
473.19986	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	3.0
55.01883	2.7
55.05519	7.3
57.03432	3.3
59.05009	1.8
61.02923	2.1
67.05513	12.2
69.03432	40.3
69.07044	2.3
70.06599	3.7
71.04998	4.3
73.02921	2.8
79.05506	2.1
81.03423	18.7
81.07062	2.8
83.04984	3.8
84.08165	2.2
85.02909	46.2
85.06541	9.2
86.09702	10.1
87.00829	22.0
87.10030	1.6
91.05485	2.2
93.07036	7.3
95.04942	2.3
95.08607	82.5
97.02900	20.1
99.04467	11.3
105.01872	20.8
105.07045	19.4
107.08611	10.0
109.02884	28.5
109.06498	3.7
109.10150	41.7
111.04429	1.7
111.08104	3.5
113.06013	10.9
114.44404	1.9
119.08569	14.3
121.10126	38.6
123.08068	72.0
123.11715	1.9
125.09603	3.0
127.03925	39.2
129.10207	2.0
133.10106	2.4
135.11693	10.9
137.06003	3.0
137.09602	19.1
137.13264	7.5
139.07567	3.2
145.05032	12.3
145.10146	2.1
147.02962	2.9
147.08049	2.9
147.11710	10.5
149.09612	31.0
151.07539	11.5
151.11261	1.9
159.02864	12.5
161.13249	14.4
163.11185	10.6
165.09117	28.8
165.12770	27.2
173.09480	2.3
177.05469	2.0
179.14362	3.1
182.12874	1.7
183.10155	23.9
184.91696	1.9
189.12790	14.6
189.46191	1.9
201.11246	9.3
207.13806	100.0
225.14876	27.8
231.05009	6.6
301.16711	1.8
335.06238	2.2
413.14362	3.4
473.20016	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	473.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.5
57.07076	2.1
58.66729	1.3
59.04976	1.0
60.02600	1.0
63.54913	1.1
65.47819	1.1
67.05510	10.1
68.60325	1.0
69.03417	4.9
71.04953	1.5
76.60982	1.0
77.36447	1.1
78.67394	1.1
85.02911	10.4
85.06547	14.3
87.00835	1.9
91.05467	1.7
92.21244	2.4
93.07049	2.2
95.04954	2.1
95.08604	100.0
97.02895	5.0
105.01875	9.2
105.07034	5.9
107.08575	8.1
109.02879	3.1
109.06493	1.1
113.05989	10.8
119.08577	17.6
121.06472	1.2
121.10126	7.9
123.08055	41.3
127.03896	7.3
129.10155	1.7
133.10129	1.5
135.11687	16.7
145.04913	1.7
147.08034	2.6
147.11690	8.4
149.09610	36.1
151.07538	2.4
151.14792	4.9
161.13243	12.9
163.11162	4.9
165.12775	12.0
179.14255	2.3
189.12741	15.6
207.13792	83.6
231.04922	1.7
290.93372	1.4
445.85507	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	473.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41122	1.8
53.03948	2.0
63.82884	1.8
69.03432	15.3
70.06590	4.6
72.08186	2.4
73.79097	2.0
77.87963	2.2
80.07079	2.3
80.80704	1.9
81.03423	15.2
81.07076	3.2
82.36340	2.1
85.02908	95.9
86.09713	11.4
86.40377	2.3
87.00813	17.0
95.08614	10.3
97.02906	13.2
99.04446	4.1
105.01869	4.3
105.07037	4.3
107.08590	4.0
109.02885	14.3
109.06528	4.0
109.10156	14.4
119.08575	10.1
121.10132	15.0
123.08101	5.1
123.11711	100.0
123.14522	2.3
125.05994	4.2
127.03928	22.9
135.11671	2.1
137.09518	3.3
144.22989	2.5
145.04965	3.5
147.11703	13.6
149.09647	20.2
161.13242	3.4
167.10623	5.7
176.48128	2.2
189.12691	19.3
191.80922	2.4
207.13812	63.3
225.12782	4.6
225.14857	66.6
231.05013	4.1
251.91528	2.3
284.87637	2.3
310.10629	10.1
311.11057	29.9
354.31723	2.4
473.21310	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	473.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.0
55.15898	0.9
57.57117	1.0
59.30710	1.0
64.05467	1.0
70.02926	1.1
70.06587	2.0
72.08148	16.9
79.05483	1.1
81.07054	5.4
82.12241	1.2
83.04093	0.9
84.04511	1.7
84.08128	2.4
84.51694	1.0
86.09703	24.8
87.05589	5.9
90.28316	1.0
93.07052	1.6
95.04927	1.4
109.06516	8.9
116.07143	1.4
119.04935	1.4
129.10225	5.6
130.06528	8.9
132.08089	5.9
132.10208	1.5
133.06143	8.3
136.07468	1.2
137.05966	22.9
142.06514	1.3
146.06000	2.2
147.04471	1.0
155.07008	1.1
159.09167	100.0
169.07622	2.6
170.05975	4.6
184.07455	1.1
185.07104	4.3
185.16432	4.4
187.08673	5.9
188.07054	18.1
197.12842	1.8
205.09766	2.5
206.08130	3.8
209.07111	1.3
211.08621	1.8
213.12398	1.2
225.72229	1.2
243.13231	1.6
249.13876	1.4
249.83936	1.3
260.10779	1.5
261.14505	4.4
267.14859	1.6
277.13379	9.1
278.11703	1.3
295.14389	16.3
311.10040	1.9
313.15378	12.4
323.13806	7.0
341.14850	8.3
409.18350	1.3
410.17053	5.2
427.19800	8.9
428.17914	1.9
438.16360	1.5
455.19229	11.5
456.17502	9.5
473.06085	2.3
473.14471	1.5
473.20169	17.0
473.30637	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	473.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47824	1.1
56.05042	1.5
61.74689	1.3
66.43830	1.2
67.05512	2.1
70.00266	1.5
70.02950	12.3
70.06590	2.3
71.04994	2.1
72.08153	7.1
74.06088	3.2
76.05135	2.0
79.05494	2.3
79.67464	1.4
81.07076	17.0
83.65932	1.2
84.08131	1.5
84.84385	1.2
86.09704	20.3
87.05598	18.5
91.05482	1.9
93.07030	5.9
95.08607	2.3
96.05606	1.9
97.06470	1.5
107.08624	3.0
109.06530	20.1
109.10168	5.5
109.26553	1.5
110.56646	1.3
112.05068	2.0
116.08206	6.7
118.05044	2.5
119.04923	1.9
119.08607	1.6
121.10105	1.9
123.11710	9.3
125.09609	2.1
127.11182	2.2
130.06516	7.7
132.08104	8.0
133.06090	9.4
136.07558	3.2
137.05984	38.3
143.08730	1.8
143.10683	2.0
146.06006	9.1
147.11621	1.6
157.07581	1.6
159.09172	100.0
160.07408	2.2
169.07602	1.6
170.06007	5.3
173.13261	1.7
177.09880	2.1
178.08673	5.3
185.07097	10.0
185.13255	2.2
187.08617	5.1
188.07053	37.4
197.13269	1.3
205.09813	1.7
206.08174	3.0
211.08684	2.5
215.13893	1.6
223.10629	2.4
224.09151	2.0
226.03682	1.3
231.16995	1.6
243.13353	1.9
277.13330	7.5
278.11710	2.1
295.14471	27.1
313.15353	16.3
323.13818	6.7
340.67715	1.6
341.14847	14.6
410.16846	5.8
419.32922	2.5
427.19781	21.6
428.17892	2.4
437.33801	2.8
438.16208	1.6
441.23337	8.5
455.19296	14.7
455.34921	5.2
456.17798	14.0
473.20184	26.0
473.26028	15.6
473.36188	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	473.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16680	1.3
57.03428	7.6
69.03429	37.3
70.12189	1.6
72.08138	3.6
81.03432	3.1
84.08138	1.7
85.02905	28.0
86.09705	11.8
87.04469	34.0
88.60971	1.6
91.09556	1.7
93.07082	2.0
97.02882	32.8
107.04980	6.8
107.08588	2.2
109.02876	3.7
113.27693	1.9
115.03924	24.8
120.08115	2.7
121.06475	1.9
121.10178	2.8
123.08096	2.2
127.03873	3.5
130.06522	2.2
133.04979	19.4
135.08018	4.5
135.11658	2.0
137.09566	2.7
144.08075	89.7
145.04958	2.8
147.08156	2.1
149.07921	4.3
150.07658	2.3
156.07994	2.9
158.05893	1.8
158.09628	36.6
160.07547	2.7
162.07758	1.9
162.09129	58.1
165.09125	7.2
167.03488	2.1
168.08058	4.5
174.09106	15.1
175.07532	3.7
181.12299	4.0
184.07594	13.0
186.09123	100.0
204.10190	84.5
207.13838	2.4
210.09195	3.2
212.10626	2.1
225.14861	20.1
228.10263	7.2
234.20763	2.0
254.84454	2.5
258.11124	2.4
270.11288	2.5
276.12445	18.8
288.12259	11.6
294.13367	39.0
306.13358	14.8
324.14359	21.0
348.03891	2.0
366.15436	3.3
377.25363	1.9
438.17368	3.9
439.77805	1.8
456.18576	8.0
473.19907	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	473.363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38729	3.1
50.73550	3.0
56.05040	4.2
66.68050	3.7
67.05501	7.1
69.07053	3.9
71.04974	17.0
74.50719	3.2
79.05481	4.5
81.07070	20.9
83.08635	5.8
88.94781	3.7
91.05429	3.7
93.07042	9.5
93.19272	3.3
95.08608	21.3
97.06540	7.9
97.10169	5.0
97.31832	4.1
105.07037	6.8
105.45236	3.7
107.08569	31.4
109.10133	29.2
115.07579	5.4
119.08608	21.4
121.10144	21.8
123.11697	53.9
125.09607	32.0
127.11159	8.6
133.10139	8.6
135.11693	6.4
139.11214	5.2
141.12741	6.8
143.10641	45.4
145.10150	7.5
146.45839	3.9
147.11693	15.5
149.13287	4.5
159.11693	16.9
161.13216	4.2
173.13248	17.1
175.14859	5.3
187.14828	5.7
189.16351	4.5
215.17856	4.4
217.12093	4.0
337.46216	4.8
359.21967	4.9
375.74957	3.9
418.23752	3.9
437.34250	31.6
455.35477	37.1
473.35870	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	8.7
58.96432	3.2
60.40537	3.2
61.82027	3.4
67.05496	19.3
69.07080	25.3
69.52612	3.5
71.04984	22.3
79.05493	4.5
81.07059	36.6
83.08630	14.8
85.06559	5.7
91.05502	4.5
91.62719	3.5
93.07038	21.9
95.04961	6.3
95.08611	53.6
97.06583	3.4
97.10146	4.1
99.08050	4.8
105.07024	17.7
107.08601	63.6
109.10160	81.0
114.80312	3.5
119.08582	78.8
121.10149	100.0
123.11696	62.5
125.09653	4.8
127.11201	55.4
131.08560	15.5
133.06476	6.4
133.10123	36.3
135.08058	22.3
135.11685	22.7
137.09586	4.5
137.13316	6.7
143.08534	6.2
145.10153	37.1
147.11688	52.7
149.09628	14.6
149.13283	16.9
152.52872	3.6
157.10129	24.2
159.11690	55.2
161.13229	28.8
163.14897	4.3
169.10068	3.7
171.11676	13.0
173.13266	31.1
175.14824	7.3
183.11668	5.3
185.13251	21.0
187.14810	16.6
189.16423	9.1
191.18030	3.9
197.13319	7.4
199.14789	27.3
201.16385	24.7
211.14856	4.1
212.77066	3.7
213.16405	5.6
215.14238	4.5
215.17839	6.6
217.15833	5.7
228.88312	3.9
233.19109	4.7
246.20554	3.7
271.24231	7.6
287.23697	31.6
289.25317	5.5
297.22113	5.6
305.24777	7.0
315.23080	13.8
399.28683	5.0
401.31836	8.3
419.32935	45.6
437.34201	67.4
455.35187	64.0
473.36246	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	473.3628
Annotation	Alphitolic acid
Peak:m/z	Relative Intensity
51.20678	1.9
55.05525	5.6
67.05511	25.0
69.07079	22.2
77.47503	2.3
79.05483	4.4
81.07063	37.5
83.08643	3.8
91.05494	4.8
92.21363	8.9
93.07053	24.9
94.18512	2.4
95.08616	33.9
97.06588	2.9
97.10188	3.8
105.07054	15.6
105.76519	2.3
107.08604	39.1
109.06554	3.0
109.10166	100.0
111.08103	2.4
119.08587	28.9
121.10143	36.6
123.08057	2.8
123.11710	14.2
125.09647	2.5
131.08563	5.6
133.10129	29.6
135.08083	3.0
135.11713	15.1
139.11147	3.4
143.08549	5.3
145.10147	13.7
147.11700	17.3
149.09573	3.5
149.13258	5.2
155.08588	3.8
157.10104	16.4
159.11690	28.8
161.09599	3.0
161.13260	15.4
169.10138	10.0
170.10858	2.4
171.11642	16.7
173.13292	20.8
174.13741	2.9
175.11284	2.2
175.14825	11.9
181.10062	2.6
183.11693	14.3
185.13274	19.3
187.14830	11.5
189.16426	3.3
197.13242	12.5
199.14842	13.4
201.16382	12.7
209.13298	5.1
211.14824	10.8
213.16400	9.2
215.17958	3.9
217.15834	4.9
219.17426	3.0
221.13179	4.0
223.14877	8.8
225.16434	13.3
227.17946	15.5
235.14850	2.9
237.16417	4.2
239.17886	9.3
241.19580	4.5
243.17435	3.6
251.17920	8.5
253.19542	12.4
255.20929	3.2
257.18900	3.4
261.18625	4.0
265.19382	7.9
267.21140	4.9
269.19077	3.5
271.20547	9.8
281.22662	2.6
291.20865	2.5
293.22833	8.7
310.22757	3.3
327.23410	2.7
333.25754	3.0
335.24051	2.8
361.28586	2.7
393.31494	2.5
401.32089	8.6
419.33124	28.9
437.34198	79.2
455.35239	87.7
473.16953	10.8
473.29678	2.5
473.36343	72.5
481.55490	2.5
484.17084	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	473.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	3.2
55.66956	3.2
58.35067	3.2
66.39130	3.3
67.05497	6.3
69.07063	5.0
71.04984	24.0
71.77190	3.4
76.71939	3.4
81.07051	22.3
83.04988	4.9
83.08648	4.5
85.06545	8.8
93.07080	8.1
95.08629	28.5
97.10178	18.1
97.26199	3.2
105.06993	4.9
107.08579	44.9
109.10146	43.9
119.08575	16.0
121.10151	20.1
123.11714	96.0
125.09617	47.7
127.11217	14.7
133.10120	13.7
135.11656	7.4
141.12737	15.5
143.08565	6.4
143.10672	100.0
145.10150	7.3
147.11703	20.5
149.13287	5.3
157.10130	5.2
159.11650	7.2
159.73280	3.3
161.13271	8.0
168.71384	3.4
171.11661	8.0
173.13261	14.7
175.14844	5.4
183.11713	7.0
185.13179	15.9
197.13376	4.8
213.16354	5.5
215.17993	8.5
297.21967	5.5
361.04166	4.1
419.32959	20.0
437.34027	53.1
455.35168	39.5
473.36447	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	473.3623
Annotation	Gratiogenin
Peak:m/z	Relative Intensity
55.05517	3.2
57.07077	2.5
60.29556	1.6
61.53915	1.6
61.96841	1.8
67.05503	9.4
69.07059	10.8
71.04996	24.7
73.06546	3.5
79.05480	2.9
81.07064	25.2
83.04978	2.0
83.08634	7.4
85.06543	10.0
91.05517	1.9
93.07046	11.1
95.08616	22.6
97.06541	2.9
97.10197	7.2
99.08018	1.8
105.07021	10.3
107.08593	35.5
109.10145	31.0
117.07059	3.5
119.08593	16.1
121.10125	19.3
123.11705	100.0
125.09643	34.4
127.11189	12.8
131.08585	9.4
133.10127	16.8
135.11693	11.8
139.11220	3.4
141.12753	51.6
143.08585	4.6
143.10683	54.5
145.10117	16.6
147.11700	24.6
149.13293	2.7
151.11226	3.4
155.08585	3.2
157.10120	9.8
159.11717	23.2
161.13255	10.7
163.14757	3.1
169.10143	7.9
171.11708	12.3
173.13281	17.1
175.11201	4.6
175.14810	4.5
177.12700	2.3
183.11694	9.9
185.07272	2.3
185.13260	14.1
187.14815	12.1
189.12758	3.0
191.14323	2.1
195.11635	2.3
197.13303	3.3
199.14835	8.0
201.16469	4.1
203.14331	1.9
209.13237	4.5
211.14828	4.2
213.16386	4.9
215.17996	10.0
217.15968	2.1
223.14842	2.2
224.83066	2.1
229.19601	1.9
233.19121	3.2
236.45570	2.0
237.16458	2.8
239.17888	2.3
251.17940	4.3
253.19534	4.7
269.22482	2.4
279.21063	10.8
297.22049	23.0
315.23132	12.1
321.25809	2.6
328.97040	2.2
401.32208	3.4
419.33151	23.5
437.34097	64.1
455.35074	40.4
473.36212	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	473.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42063	2.2
52.13004	2.3
55.05511	10.9
57.07074	4.0
60.99969	2.1
65.90888	2.6
66.49750	2.2
67.05511	12.9
67.74161	2.5
69.07076	41.9
77.86041	2.4
79.05489	5.5
81.07063	40.1
83.05014	2.7
83.08607	3.8
85.06553	4.4
91.05534	4.1
93.07036	32.5
95.08614	83.1
97.10198	9.3
97.66827	3.0
99.08097	9.7
101.06033	4.3
105.07016	17.6
107.07929	3.1
107.08603	51.0
109.10152	65.2
111.11710	28.9
112.55009	2.5
119.08593	26.3
121.10137	98.3
123.11713	36.1
125.09595	4.0
129.05496	9.8
133.10156	27.7
135.11702	45.0
137.09647	3.5
137.13248	17.0
145.10123	13.9
147.08020	6.6
147.11679	25.8
149.13237	24.4
151.07526	5.7
159.11687	17.0
161.13272	23.6
163.07503	3.2
163.14828	12.3
163.81474	3.0
165.09128	32.5
167.14304	83.1
173.13261	12.5
175.14790	27.8
177.12769	3.0
177.16354	6.0
179.10655	6.0
181.15910	3.3
183.10167	15.8
187.14900	3.4
189.16431	4.1
190.41595	2.6
191.17955	24.1
193.12253	6.0
195.17470	20.8
197.11726	10.9
209.19016	53.5
211.13303	14.4
223.13211	6.0
237.14854	4.1
265.18173	2.8
269.22534	3.6
277.25293	6.1
279.19537	17.7
315.26849	10.5
321.09760	2.8
333.24222	26.6
409.34268	5.3
427.35599	4.6
437.33923	18.3
455.35089	23.5
458.96561	3.9
468.02350	3.2
473.36328	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05051	4.0
57.03437	2.8
67.05518	3.5
69.07041	4.8
71.04974	5.5
72.01128	3.1
81.07056	21.5
83.04983	5.2
86.09698	3.7
93.07049	15.1
95.08607	25.1
97.10186	3.6
99.08109	4.8
105.07037	13.0
107.08576	34.5
109.10180	34.7
117.06999	5.9
119.08562	33.2
121.10143	25.1
123.11747	27.9
125.09640	7.8
127.11211	5.5
129.06999	3.2
131.08569	5.5
133.10159	24.1
135.07953	3.4
135.11719	32.4
137.09576	3.7
138.52887	3.7
143.08585	5.0
145.10110	15.6
147.11716	20.0
149.09726	3.3
149.13229	13.1
151.11227	5.5
159.11671	16.5
161.13249	7.8
163.14830	5.4
171.11644	4.6
173.13254	19.7
181.43143	3.6
185.13377	4.4
187.14798	6.4
189.16348	30.9
199.14862	6.6
201.16446	4.9
207.17499	24.9
213.16342	4.9
215.14334	3.5
215.17989	5.3
229.19525	3.7
243.17201	4.0
296.06726	3.7
390.26114	3.9
419.32852	4.3
437.34045	29.8
455.35101	44.6
473.26266	6.6
473.29446	11.5
473.36148	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38740	2.3
53.74590	2.6
55.05527	3.1
55.05818	2.7
59.10020	2.6
67.05505	7.0
69.07065	4.2
71.04999	6.9
74.06078	5.5
76.05146	4.2
81.07082	27.2
83.08630	3.4
86.75354	3.1
91.05495	6.2
92.24989	3.1
92.53377	3.6
93.07044	18.9
95.08614	40.1
97.06532	4.5
97.10186	5.5
105.07044	14.9
105.68413	3.6
107.08601	46.9
109.06532	3.6
109.10162	45.7
111.08012	3.4
116.08215	64.9
117.07047	4.9
117.08591	5.4
119.08574	28.0
121.10178	27.7
123.11707	80.7
125.09644	16.6
127.11217	17.9
129.07028	3.5
131.08548	5.8
133.10156	24.4
135.11708	21.6
141.12802	5.0
143.08548	5.5
143.10703	21.0
145.10074	26.6
147.11682	34.5
149.13249	8.4
157.10081	12.0
159.11688	27.9
160.07120	4.0
161.13264	12.6
171.11644	13.5
173.13260	26.5
175.14832	13.9
185.13281	20.9
187.14774	14.5
189.12733	5.9
189.16415	23.6
197.13235	5.1
199.14870	19.6
201.16423	13.6
207.17459	14.3
209.13210	3.9
215.18080	5.4
219.17453	3.7
227.18086	6.5
229.19534	4.9
233.18948	3.9
245.16124	5.9
247.55327	4.3
253.19478	5.8
259.33310	3.4
269.08163	18.1
315.23215	4.8
336.12302	21.5
341.28555	3.9
379.39041	3.6
419.32880	17.1
437.34183	69.0
455.35150	62.9
473.14520	4.0
473.29654	7.1
473.36108	100.0
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	Unknow
Peak:m/z	Relative Intensity
55.05499	2.9
55.22213	2.2
57.07085	2.9
61.34170	2.4
62.55598	2.5
63.55064	2.3
67.05508	11.9
69.07059	14.0
71.04993	26.9
75.18385	2.4
76.05134	5.1
78.71437	2.3
79.05502	3.8
81.07045	22.5
83.08612	11.5
85.06531	12.1
86.09709	3.6
91.05462	5.0
92.20937	3.4
93.07045	12.4
95.08577	20.6
97.06500	4.2
97.10143	15.4
99.08078	3.8
105.07006	10.1
107.08602	57.0
109.06488	3.6
109.10168	44.4
116.08193	16.3
119.08598	23.6
121.10126	13.9
123.08064	2.3
123.11696	66.3
125.09630	40.6
127.11185	25.5
131.08559	4.0
133.10089	18.1
135.11679	16.9
137.09583	3.9
137.13214	3.0
141.12701	15.0
143.08521	5.1
143.09645	4.8
143.10678	74.4
145.10118	18.5
147.11694	26.3
149.13284	5.5
151.11185	19.2
153.12708	4.6
157.10104	4.1
157.13545	2.8
159.11673	21.5
160.07146	5.0
161.13237	16.3
163.11156	5.1
163.14764	4.4
171.11673	13.7
173.13200	17.8
175.11195	4.7
175.14748	4.8
177.12704	3.7
181.10048	2.7
183.11603	5.8
185.13272	17.3
186.11871	3.1
187.14842	11.3
189.12788	3.5
189.16420	5.6
191.14357	5.9
199.14789	11.0
201.16301	4.9
203.14255	9.8
209.13179	3.3
211.14781	3.1
213.16408	5.7
215.17946	5.5
217.15800	3.3
219.17480	3.5
227.17862	4.8
229.15944	3.0
245.18837	3.3
248.35475	2.6
251.18019	3.1
253.19450	8.9
267.21066	2.8
271.20401	4.5
297.22122	11.5
315.23111	4.4
369.28107	2.9
376.13770	2.9
419.33084	21.8
437.34235	57.5
455.35196	95.2
473.36243	100.0
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
52.62463	0.6
55.05525	1.4
59.97144	0.6
62.06119	0.9
62.83743	0.7
64.47585	0.7
67.05506	3.4
69.07076	4.0
79.05515	3.2
81.07063	6.9
83.04984	1.7
86.06047	2.7
87.63714	0.8
88.07646	1.6
93.07041	7.2
95.08627	1.8
96.08155	0.9
97.06557	3.8
97.10156	5.5
99.04455	1.1
100.07627	1.7
106.45957	0.8
107.08609	4.2
111.11722	1.9
114.09206	1.9
121.10142	23.7
122.08170	0.9
131.08612	1.5
133.10103	0.9
137.99660	0.8
138.12782	14.8
139.11180	20.1
149.09566	6.2
156.13805	6.6
159.71187	0.7
163.00876	0.8
166.12308	4.1
167.10699	3.6
184.13309	33.4
185.11691	1.3
191.01941	0.9
196.09486	1.2
210.15027	5.1
211.13277	10.2
213.16336	0.9
215.99084	1.0
221.86656	0.7
228.15932	100.0
236.37294	0.8
242.24817	3.3
290.27008	1.3
302.58398	0.8
302.82321	0.7
303.89728	0.8
353.44202	0.9
473.34467	7.5
473.39685	99.0
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
52.73148	0.6
55.05516	0.8
56.46464	0.6
67.05511	1.8
69.07072	4.7
74.06129	0.8
76.22904	0.6
79.05507	3.0
79.14256	0.7
81.07072	7.1
83.04973	1.5
86.06062	0.8
88.07633	1.7
93.07043	6.3
95.08604	3.5
97.06518	4.8
97.10181	6.3
99.04476	1.1
100.07636	1.5
104.07086	0.9
107.08609	3.4
111.11697	2.9
112.97242	0.7
121.10139	24.2
131.08551	1.0
138.12785	13.6
139.11185	20.4
149.09618	5.2
156.13826	9.4
166.12277	5.4
167.10706	3.3
172.95288	1.2
184.13322	32.0
185.11732	0.9
210.14925	6.8
211.13306	13.0
228.15941	90.9
242.24849	4.0
266.65765	0.8
290.27005	0.9
337.20465	0.8
365.75089	0.8
473.19778	4.2
473.39523	100.0
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
55.05524	1.5
57.00599	0.7
57.07100	0.9
58.06607	0.8
58.73765	0.7
58.96342	0.7
59.50070	0.6
59.82592	0.6
67.05530	1.6
69.07072	6.0
71.38502	0.8
74.14677	0.7
75.70723	0.8
81.07055	7.7
82.06585	0.8
83.05015	1.1
86.06097	0.9
88.07660	1.6
91.84814	0.8
93.07051	5.3
95.08582	1.6
97.06538	3.1
97.10170	7.5
99.04488	2.0
100.07639	1.8
104.07169	0.9
107.08627	4.5
107.96439	0.9
111.11741	2.1
121.10139	25.1
131.08629	0.8
138.12770	14.0
139.11180	20.3
149.09666	4.7
156.13829	9.1
159.11674	0.8
166.12308	5.1
167.10699	1.4
184.13322	33.6
185.11807	1.9
210.14883	7.0
211.13269	12.3
228.15935	99.2
242.24771	3.7
274.88892	0.9
425.37390	1.2
455.35489	1.2
473.39548	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1732
Annotation	Folinic acid
Peak:m/z	Relative Intensity
50.42602	0.6
50.58640	0.6
55.05516	0.7
59.51365	0.7
70.06600	9.8
72.08161	26.2
73.92381	0.7
84.04508	4.4
84.08133	11.1
86.06041	1.3
86.09705	12.4
101.07146	1.9
101.91772	1.1
102.05566	1.0
110.07153	1.5
111.05569	0.9
112.08698	1.5
120.04457	0.9
129.10233	13.2
132.04434	12.4
134.04449	1.5
134.06018	1.6
136.07588	1.3
143.11778	9.5
147.11264	1.7
151.06078	1.6
169.13312	1.1
171.11224	5.3
173.12912	1.3
175.11852	1.0
180.08755	1.3
185.16525	1.5
194.06735	3.1
201.12389	4.2
206.15433	1.0
228.13374	0.9
242.09090	1.6
244.09283	1.3
251.61629	1.0
259.11871	15.6
262.10272	3.4
270.18121	1.9
284.11395	6.8
298.20047	4.5
302.12466	17.1
327.12003	4.5
341.21948	1.5
345.13046	100.0
444.39975	1.1
474.17334	34.2
474.25473	4.7
474.29456	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	474.218
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63983	0.4
55.93446	0.4
57.03441	0.5
76.05527	0.4
85.02904	2.2
86.09711	100.0
97.02888	0.5
99.04464	0.5
127.03906	1.0
132.10207	82.1
145.04897	0.7
152.05678	1.9
154.27788	0.5
162.46321	0.4
176.53151	0.5
213.32462	0.5
223.98883	0.5
302.66333	0.5
309.30219	0.5
380.33896	0.5
474.27231	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	474.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05031	0.3
53.41447	0.4
55.05521	0.6
57.07084	22.2
69.03436	0.4
73.06549	0.8
78.74982	0.4
81.12361	0.4
84.20728	0.4
85.02895	2.2
91.07607	0.6
97.02889	0.7
107.08571	0.4
110.86039	0.4
121.02973	0.4
127.03896	0.7
149.02344	100.0
167.03352	0.6
205.08583	9.4
221.08034	3.5
277.14328	17.1
295.15436	7.1
331.41885	0.5
393.89890	0.4
474.36823	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
62.54703	1.1
69.07069	9.7
72.02641	1.5
75.77518	1.3
83.08636	1.4
83.52870	1.4
84.20400	1.3
86.09712	100.0
93.07037	1.5
105.44195	1.5
111.08092	1.9
130.06540	2.9
132.08098	7.0
138.09209	2.2
139.07513	1.6
145.04929	1.5
146.06000	11.3
156.10242	2.8
159.09181	83.1
170.05981	6.7
175.09552	1.7
187.08672	2.3
188.07051	40.3
205.09773	6.1
224.16440	39.3
242.17424	5.6
257.68491	1.6
270.16934	2.0
279.14877	7.0
297.15933	27.2
315.17029	9.9
325.15625	2.6
343.16608	3.4
382.24902	1.7
410.24466	2.8
410.65369	1.6
428.25449	39.6
456.24960	19.9
474.26001	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	474.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00081	0.7
57.03458	1.0
57.07085	5.0
58.06609	14.7
58.37434	0.7
59.07381	4.3
60.08173	5.1
62.41518	0.7
65.09714	0.8
66.13045	0.7
67.05504	1.1
69.07057	1.1
71.08633	4.0
75.04478	1.1
81.07053	1.9
83.08618	1.7
85.02888	1.3
85.10223	0.9
87.04473	1.2
91.42805	0.8
95.08597	1.8
109.10206	0.9
118.05034	1.0
144.10219	9.8
161.20482	0.9
162.11223	1.2
168.35033	0.9
173.14073	0.8
201.11176	7.7
236.14935	100.0
313.27423	1.6
456.36932	9.1
474.26385	3.4
474.37976	84.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69872	1.1
51.78097	0.9
57.76512	1.0
64.08227	1.0
71.29710	1.2
85.97094	1.2
89.32088	1.3
122.24839	1.1
149.02307	4.6
150.02710	2.6
205.08623	1.7
235.63010	1.2
278.67618	1.6
345.09637	1.2
349.15372	2.6
418.00327	1.1
475.19397	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59154	1.7
55.01875	2.2
55.05524	2.0
57.03439	2.2
57.07081	1.9
69.03437	23.5
69.07076	3.4
71.04993	11.3
73.02941	2.5
75.54013	2.1
79.05468	1.8
81.03419	9.8
81.07056	11.4
83.04989	2.3
83.08611	3.0
85.02904	39.1
85.06543	8.3
87.00831	16.4
91.05484	2.8
93.07035	10.5
95.04977	55.7
95.08600	13.0
97.02914	14.6
97.06536	25.4
99.04456	17.3
99.08076	4.6
105.01862	16.2
105.07030	15.8
107.08611	25.3
109.02864	15.6
109.06528	51.7
109.10180	14.7
111.08071	4.0
115.07542	3.3
117.06995	2.3
119.08578	12.1
121.10143	27.8
123.08059	7.3
123.11708	3.3
123.61321	2.0
125.06021	2.6
125.09617	8.2
127.03904	24.4
131.08554	18.2
133.10133	91.3
135.08070	14.0
135.11681	7.4
139.11166	4.3
145.04973	2.6
145.10149	4.1
147.11678	38.4
149.13234	11.5
151.07614	2.4
151.11169	2.8
153.09114	39.2
158.10953	2.8
159.02859	8.0
163.11166	2.9
163.14809	9.1
165.12753	7.9
167.14262	3.6
171.10172	3.6
173.13252	56.7
173.77057	2.2
191.14307	59.7
209.13362	3.3
209.15361	100.0
227.16408	96.2
231.05038	2.4
242.77196	2.1
288.08188	1.9
335.09430	7.4
398.85370	2.5
439.19864	3.5
457.20615	4.8
475.21729	61.5
475.32520	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	475.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92271	0.5
60.79274	0.6
66.48877	0.5
69.03432	0.5
69.07072	2.6
78.02023	0.5
100.82889	0.6
115.74454	0.6
169.12079	0.7
185.04193	6.9
199.11365	0.6
216.82440	0.6
220.20784	0.7
229.12918	0.8
313.16174	3.1
331.16806	3.4
413.21527	5.8
415.18781	3.6
475.21503	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.215
Annotation	Unknow
Peak:m/z	Relative Intensity
63.98590	0.6
69.03425	0.8
69.07066	1.1
70.06612	0.8
89.34116	0.7
108.74792	0.7
115.28405	0.6
124.02242	0.6
148.87473	0.7
183.57707	0.7
185.04277	4.5
224.87123	0.7
273.50934	0.8
313.16226	4.0
331.17160	3.7
390.23489	0.8
413.21417	6.6
415.19049	3.2
475.21539	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.215
Annotation	Unknow
Peak:m/z	Relative Intensity
63.98590	0.6
69.03425	0.8
69.07066	1.1
70.06612	0.8
89.34116	0.7
108.74792	0.7
115.28405	0.6
124.02242	0.6
148.87473	0.7
183.57707	0.7
185.04277	4.5
224.87123	0.7
273.50934	0.8
313.16226	4.0
331.17160	3.7
390.23489	0.8
413.21417	6.6
415.19049	3.2
475.21539	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70514	0.3
50.70738	0.3
55.97166	0.3
56.14724	0.3
56.86243	0.3
69.03423	0.9
69.07062	2.4
81.03424	0.5
82.10520	0.3
85.02913	0.4
86.09672	0.3
88.72884	0.4
92.21458	0.5
97.02931	0.4
111.11710	0.5
119.94457	0.3
123.11780	0.4
123.46855	0.4
150.64801	0.4
151.06197	0.4
169.12071	0.6
185.04158	4.3
209.15463	0.6
229.12794	0.6
241.12878	0.7
244.07310	0.4
259.13565	0.4
313.16135	4.2
329.08557	0.7
331.16898	3.0
342.91983	0.4
404.30966	0.5
409.66873	0.4
413.21506	7.2
415.18997	3.4
443.15405	0.4
469.42007	0.4
475.21515	100.0
478.82062	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	475.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64050	1.3
55.05515	1.4
55.14740	1.3
56.05035	2.6
57.69650	1.3
69.03436	8.2
69.07075	1.8
70.06585	5.9
71.76923	1.4
72.08155	8.9
79.05499	1.8
81.03423	1.6
83.04993	5.5
83.08643	2.7
84.08155	3.3
85.02900	6.7
85.06582	1.4
86.09715	15.4
87.00841	2.2
87.10076	2.0
93.07032	5.5
95.08605	7.0
97.02899	3.3
97.10155	6.1
99.08102	8.8
100.31475	1.3
103.04425	1.6
104.05354	2.8
107.08586	12.1
109.02894	2.3
109.06513	1.7
109.10172	3.3
111.08107	2.3
113.05998	1.9
120.08026	1.5
121.10173	12.6
125.09639	55.3
127.03929	2.4
129.10239	6.1
131.17513	1.6
133.10182	2.5
134.08122	1.9
135.08041	6.8
137.09633	2.4
146.06369	1.5
147.11639	1.6
148.24144	1.5
149.09625	62.3
149.13261	7.0
150.39496	1.3
151.11192	14.6
153.09105	19.3
154.09932	1.6
163.14833	7.0
164.10657	1.8
165.12691	5.2
166.05022	1.3
167.03407	2.0
169.01912	1.5
173.13232	5.8
177.09856	1.9
191.14311	27.7
195.87039	1.6
201.12413	2.4
202.40926	1.5
204.56796	1.3
209.15393	100.0
227.16364	18.1
247.16434	1.7
256.31790	1.5
297.06299	2.5
307.03946	1.4
339.08365	2.2
350.34763	1.5
459.05304	1.3
475.14227	1.9
475.26117	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	475.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.1
67.28547	2.2
69.03435	18.7
69.07061	4.3
71.04976	11.0
73.02908	2.8
79.05473	3.0
81.03417	14.0
81.07066	16.8
81.25133	2.3
83.05010	3.4
83.08609	2.3
85.02906	46.7
85.06548	4.1
86.09707	3.5
87.00835	23.4
93.07036	9.8
95.04964	50.1
95.08604	14.7
97.02888	16.7
97.06536	38.9
97.54473	2.4
99.04436	15.0
99.08122	4.8
103.82521	2.2
105.01885	19.5
105.07037	15.9
107.08588	24.6
109.02881	14.4
109.06525	44.6
109.10157	13.7
111.08076	3.9
115.07539	5.5
119.08586	4.6
121.06449	2.8
121.10134	32.3
123.08054	12.3
123.11722	3.4
127.03920	30.1
131.08582	16.1
131.81387	2.5
133.10130	84.8
135.08040	4.2
135.11693	5.8
139.11232	4.3
145.10147	4.2
147.11702	39.3
149.09660	2.8
149.13283	22.7
153.09093	31.8
159.02879	5.3
163.11237	3.9
163.14835	9.2
165.12781	6.0
171.10202	3.3
173.13235	43.2
175.14774	2.7
191.14314	62.8
197.11807	2.5
209.15367	100.0
227.16412	94.6
457.20493	11.0
473.57529	2.8
475.21469	54.6
475.32437	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	475.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.7
67.05482	0.8
68.92670	0.7
69.07064	0.6
70.02954	9.3
70.06578	0.8
73.10727	0.6
74.02435	0.9
74.06071	1.0
76.05128	0.9
79.05501	1.5
83.08620	11.8
84.08138	1.1
86.09697	1.7
87.05587	14.3
88.03977	3.1
93.07029	1.6
95.08617	1.8
96.05611	1.2
100.02687	0.7
111.08073	5.9
113.05917	0.7
114.06648	0.9
115.05025	1.2
116.08279	1.3
125.31368	0.8
129.10240	1.1
130.06514	6.8
132.08078	6.8
133.06076	9.2
138.09161	2.6
139.07527	5.8
139.22539	0.7
142.06483	0.9
144.08073	0.9
146.06023	9.4
156.10187	2.8
157.08592	3.9
159.09169	100.0
160.07368	0.7
164.10730	7.4
166.38367	0.7
170.05991	8.1
175.09647	3.6
187.08665	5.2
188.07054	33.4
196.07552	0.9
205.09688	4.4
207.11189	1.3
208.09616	3.1
225.12338	1.4
226.10765	4.9
235.10590	0.9
241.56685	0.8
253.11737	5.5
271.12943	7.9
279.14835	10.9
297.15936	36.0
315.16925	12.3
325.15417	7.1
343.16513	9.1
360.25134	1.2
386.20575	0.9
388.01108	0.9
411.20151	3.4
412.18402	6.6
429.21259	18.9
430.19598	1.1
439.19583	1.4
440.18018	1.6
457.20837	18.0
458.19046	11.3
458.24954	1.9
475.21713	25.4
475.27673	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	475.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03970	4.0
55.05523	4.5
57.03445	26.3
57.07090	59.7
58.06613	6.2
61.02940	64.8
65.97794	4.8
67.02622	3.8
67.05504	20.1
69.03432	24.5
69.07063	7.3
70.99619	4.3
71.08647	40.4
73.02927	36.0
75.86179	3.9
80.58656	4.0
81.03433	21.5
81.07068	28.5
83.08606	9.2
85.02916	69.7
85.10180	23.1
87.04445	5.4
91.03965	47.3
92.20941	8.8
95.08610	43.6
97.02901	52.1
99.04507	6.0
101.02380	8.9
101.85421	4.2
103.03921	5.9
109.02855	8.9
109.10147	11.6
115.03967	5.8
119.05871	4.3
123.11794	5.0
127.03888	20.1
142.01813	4.9
153.40384	4.8
213.27339	5.1
225.73357	5.7
227.74055	5.1
236.14903	42.6
237.15244	24.4
239.23730	26.3
254.42883	5.3
313.27441	100.0
389.32336	5.7
398.03033	5.1
457.31580	19.2
475.32083	76.6
475.37924	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	475.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
64.49422	0.8
67.05524	1.5
68.43859	1.0
73.77287	0.8
81.07092	1.4
95.08621	1.3
101.75686	1.0
107.08560	1.2
121.14387	1.1
196.09453	100.0
230.08704	1.0
243.47061	1.1
280.49634	1.0
302.24655	2.0
303.08621	1.2
475.35062	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	475.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	2.7
70.85515	2.5
81.07069	3.5
87.05605	2.4
95.08608	3.0
107.39516	2.4
141.07103	2.3
149.88371	2.3
159.11578	2.5
180.86848	2.5
196.09442	100.0
196.16980	55.9
213.19656	12.9
274.73538	2.7
302.24530	3.6
379.32565	2.5
458.39926	3.6
475.35104	80.2
475.42505	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	475.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99698	0.3
57.77654	0.3
59.84024	0.3
60.01560	0.4
63.06874	0.3
84.18713	0.4
92.50764	0.3
101.13493	0.4
119.09688	0.4
121.26009	0.4
321.89084	0.4
413.31589	0.9
422.31635	0.7
423.30038	2.6
424.28442	0.8
438.20639	0.5
440.32709	9.5
441.31119	29.1
458.33780	57.1
475.36429	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07090	5.8
67.05511	7.5
69.07069	9.3
71.04993	21.8
79.05487	10.2
81.07065	38.5
81.82813	4.3
83.04311	4.1
83.08599	7.9
93.07031	17.4
95.08598	52.2
97.10174	9.4
105.07030	18.1
107.08600	34.9
109.10155	97.2
119.08613	33.1
119.09356	4.8
121.10143	46.4
123.11708	94.2
127.11186	54.3
131.08540	4.6
133.10152	29.8
135.11684	29.0
137.09625	8.0
141.12759	19.7
143.08521	8.1
143.10645	7.1
145.10130	25.4
147.11697	29.1
149.09679	4.6
149.13286	22.9
151.11220	22.7
152.36479	4.5
157.10101	22.4
159.11681	25.2
161.13239	25.5
163.14886	6.7
171.11679	16.1
173.13261	21.3
175.14824	10.1
183.11612	6.0
185.13272	33.2
187.14803	21.1
189.16345	5.0
199.14828	21.4
201.16376	7.4
213.16447	6.3
217.15834	7.3
223.14810	5.2
225.16333	6.9
239.17882	6.2
271.20398	8.7
299.23779	9.2
328.28787	4.3
338.63406	4.0
421.34695	68.2
439.35605	98.4
457.36844	100.0
475.37875	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	475.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	5.8
57.07066	5.3
62.17754	4.1
66.78950	3.8
67.05505	7.5
69.07059	20.0
71.05000	31.3
79.05495	5.4
81.07068	38.2
83.08591	11.6
89.34987	4.6
91.05443	6.4
93.07046	9.6
95.08619	62.0
97.10159	7.0
105.07010	9.2
107.08604	34.3
109.10157	89.0
117.07045	6.9
119.08577	34.5
121.10116	40.5
123.11710	100.0
125.09605	7.2
125.54261	5.1
127.11203	51.2
131.08582	9.9
133.10120	26.0
135.11708	33.3
141.12737	5.9
141.46655	5.0
143.10683	10.5
145.10100	33.8
147.11674	37.1
149.13284	19.9
151.11168	6.9
153.12675	5.0
155.62627	4.7
157.10103	22.4
159.11687	27.4
161.13243	23.0
163.14864	6.0
169.10092	6.5
171.11694	32.8
173.13268	28.7
175.14786	9.9
183.11746	6.9
185.13211	30.1
186.92108	5.6
187.14806	19.8
197.13315	9.0
199.14812	9.3
201.16420	9.0
213.16402	22.3
225.16321	8.4
227.17986	19.9
239.17807	5.6
239.64825	5.4
245.19089	7.8
253.28664	6.0
267.21027	6.1
281.22626	10.2
283.17899	5.2
291.04819	7.1
299.23676	10.4
396.12485	5.3
403.33582	8.3
421.34555	92.5
439.35767	94.8
457.36627	93.8
475.37799	83.8
494.94583	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	475.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18478	6.8
55.05515	6.7
60.16320	8.0
65.65081	7.2
67.05508	31.7
69.07072	7.6
70.19414	7.4
79.05489	10.2
81.07057	100.0
83.04969	9.1
91.05486	32.2
93.07044	66.5
95.08607	61.2
100.80083	9.0
104.27304	7.1
105.07015	63.1
107.08581	63.6
109.10153	63.3
119.08576	45.1
121.10145	59.9
123.11672	9.7
131.08560	14.8
133.10112	54.1
135.11693	35.9
145.10100	39.2
147.11682	49.2
149.13210	10.2
153.49602	8.6
157.10167	10.0
159.11722	39.8
161.13235	13.5
163.90375	8.8
169.10097	9.4
173.13193	33.1
175.14818	19.1
187.14825	16.0
215.18059	11.0
333.12598	8.5
361.13373	8.5
421.34671	16.8
465.52628	8.1
475.37692	11.1
479.84363	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	475.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07090	5.8
67.05511	7.5
69.07069	9.3
71.04993	21.8
79.05487	10.2
81.07065	38.5
81.82813	4.3
83.04311	4.1
83.08599	7.9
93.07031	17.4
95.08598	52.2
97.10174	9.4
105.07030	18.1
107.08600	34.9
109.10155	97.2
119.08613	33.1
119.09356	4.8
121.10143	46.4
123.11708	94.2
127.11186	54.3
131.08540	4.6
133.10152	29.8
135.11684	29.0
137.09625	8.0
141.12759	19.7
143.08521	8.1
143.10645	7.1
145.10130	25.4
147.11697	29.1
149.09679	4.6
149.13286	22.9
151.11220	22.7
152.36479	4.5
157.10101	22.4
159.11681	25.2
161.13239	25.5
163.14886	6.7
171.11679	16.1
173.13261	21.3
175.14824	10.1
183.11612	6.0
185.13272	33.2
187.14803	21.1
189.16345	5.0
199.14828	21.4
201.16376	7.4
213.16447	6.3
217.15834	7.3
223.14810	5.2
225.16333	6.9
239.17882	6.2
271.20398	8.7
299.23779	9.2
328.28787	4.3
338.63406	4.0
421.34695	68.2
439.35605	98.4
457.36844	100.0
475.37875	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	475.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40102	0.2
50.41286	0.2
74.24861	0.2
91.81648	0.3
92.21458	0.5
94.08875	0.2
96.88020	0.2
102.58634	0.3
145.02856	0.6
177.05467	1.6
186.81274	0.3
194.11520	100.0
196.16972	2.7
213.19630	0.4
289.63208	0.3
475.27853	0.5
475.38773	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	476.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14516	0.8
55.01877	1.3
69.03428	7.4
70.06570	1.2
70.63598	1.1
72.08155	1.0
73.02907	1.0
73.42789	0.9
75.87720	1.1
80.80993	1.0
81.03413	5.3
84.50635	1.1
85.02905	11.6
86.09714	9.2
87.00827	4.5
97.02888	8.8
99.04456	2.3
105.01860	2.2
105.07041	24.1
107.05343	1.2
108.04498	2.4
109.02881	6.1
115.03949	1.5
115.05436	2.2
127.03901	11.2
129.01881	1.0
131.04893	1.1
133.04973	2.5
133.06496	44.3
141.11861	1.0
143.06020	1.6
145.04968	2.1
147.04401	5.4
159.02919	2.7
159.78761	1.1
161.05975	100.0
165.05466	1.5
193.08601	71.8
210.82579	1.2
211.09816	1.4
476.27359	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	476.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
61.19900	0.3
86.48444	0.3
93.02969	0.3
304.09610	0.4
305.10419	0.5
318.07626	9.6
320.09119	0.7
321.09897	2.2
332.09201	4.3
333.09955	9.0
336.12286	15.8
342.36041	0.3
379.69034	0.3
448.21204	0.5
458.19482	0.4
476.20520	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	476.2775
Annotation	Ulipristal acetate
Peak:m/z	Relative Intensity
62.80030	0.9
65.06316	0.9
67.05507	6.8
69.07076	1.3
79.05489	1.3
81.07061	6.8
93.07043	2.1
95.08605	5.5
98.06048	5.3
107.08613	1.5
109.10142	2.6
112.30653	1.0
119.08595	1.8
121.10089	2.3
123.11703	0.9
123.87840	1.3
162.43518	1.0
186.06895	1.0
201.00269	1.0
208.16959	1.9
223.77713	1.3
304.26346	100.0
364.39276	1.3
401.16583	1.3
423.05515	1.1
476.36014	6.1
495.82397	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	476.3068
Annotation	Netilmicin
Peak:m/z	Relative Intensity
53.22883	0.8
57.56276	0.7
69.53777	0.8
70.06593	1.6
70.98511	0.7
72.08151	1.6
73.06558	1.3
76.05126	1.5
78.80185	0.8
85.02908	1.3
86.09726	2.0
87.04470	7.8
89.06033	100.0
89.90047	0.8
90.61209	0.8
103.03975	1.4
105.10000	0.8
111.98175	1.0
127.03911	3.9
131.07047	0.9
133.08615	30.9
142.84421	0.9
145.04991	0.9
177.09920	1.1
177.11212	9.0
221.13823	3.6
240.52492	0.9
242.14540	0.9
263.13739	0.9
283.17303	1.1
284.12567	0.9
291.09604	0.9
297.06473	1.0
327.20218	1.1
340.08939	1.0
371.22723	2.0
415.25589	1.6
459.27997	59.6
476.15076	1.8
476.30704	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	477.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16627	0.8
55.05520	1.0
56.05058	6.7
60.05662	0.9
60.99529	0.9
67.05501	2.0
69.07095	0.9
70.06579	2.0
72.04520	1.7
72.08164	1.3
74.02444	1.2
74.06079	5.1
76.05140	2.0
79.59717	0.9
81.07064	4.5
82.06593	0.9
86.09714	1.5
93.07049	4.1
95.08622	1.2
96.05622	26.7
97.10201	1.2
99.07942	0.9
102.05578	1.3
108.05602	4.4
110.07185	6.1
113.09435	0.8
116.08202	7.7
118.05033	1.5
120.06609	2.1
121.10113	1.1
122.07138	1.3
122.49453	0.9
128.08212	1.3
133.10112	1.0
138.12827	2.2
142.09840	1.2
156.91803	1.0
159.11626	1.4
177.09805	1.2
194.15388	1.6
206.16562	4.9
228.51144	1.3
234.16022	22.9
252.17088	9.0
252.36420	1.0
269.17545	1.5
270.18222	5.8
286.20364	1.2
326.20636	10.2
328.22510	4.0
336.19131	2.2
344.21793	29.2
400.24283	1.2
445.26593	29.4
477.29236	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52318	0.7
56.05042	5.9
64.63125	0.8
67.05511	2.0
68.91634	0.6
69.04572	1.5
69.07080	1.3
72.04518	3.6
73.46553	0.6
74.02452	1.2
74.06079	5.2
76.05133	1.2
77.54741	0.7
80.05048	0.9
81.07063	5.3
82.06583	1.0
86.91952	0.8
93.07044	3.6
95.08624	0.9
96.05616	34.1
96.08090	1.0
99.07983	1.0
102.05544	2.0
108.05591	5.0
110.07177	3.2
116.08221	6.2
118.05014	1.7
120.06547	1.7
121.10156	3.4
122.07153	1.6
128.08195	2.0
129.74031	0.8
135.07690	2.9
138.12810	4.8
140.14371	1.0
142.09795	1.8
149.13240	1.5
164.14325	0.9
168.13806	1.5
168.76796	0.8
184.13216	1.3
192.13840	1.2
192.27321	0.8
194.15477	1.4
206.16518	5.0
210.14825	1.5
219.14857	1.3
234.15997	22.7
234.18152	1.1
252.17010	8.2
270.18115	1.5
286.20267	3.3
326.20773	5.4
328.22293	3.2
344.21814	40.3
376.24762	2.9
400.24490	1.7
410.22400	1.1
428.23734	1.4
445.26578	28.8
477.29208	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	0.6
56.05047	5.5
57.73727	0.5
60.04531	0.6
67.05509	3.2
69.04570	1.9
69.07069	2.5
70.06598	0.7
71.05000	2.2
72.04511	3.2
72.08171	0.9
73.19321	0.5
74.02451	2.1
74.06082	6.0
76.05142	1.1
79.05511	2.5
80.05032	0.7
81.07063	4.8
82.06598	0.9
84.04526	0.7
84.08148	0.9
86.09707	0.9
91.05490	1.0
93.07054	4.1
95.08615	2.1
96.05619	25.9
96.06222	0.9
96.08157	1.0
97.06519	0.7
97.10166	0.9
98.07193	0.8
99.08008	1.0
102.05550	2.3
107.08608	1.0
108.05633	3.7
109.06504	0.4
109.10157	0.5
110.07173	4.3
113.09537	1.1
116.08207	7.3
117.07047	0.8
118.05026	2.5
119.08571	0.8
120.06592	2.9
121.10145	3.0
122.07159	2.3
123.11718	0.6
128.08235	3.8
133.10152	0.7
135.07680	2.1
135.11710	0.9
138.12769	4.3
139.11186	0.6
142.09789	3.4
148.11365	0.6
149.09718	0.5
149.13271	2.2
150.10352	0.5
151.11079	0.5
152.11844	2.1
159.11693	1.1
160.07182	0.9
164.14201	0.5
166.12276	0.7
168.13844	2.9
170.13017	0.5
177.09912	0.8
177.12767	0.5
184.14542	1.8
192.13818	0.8
194.15479	2.2
198.15927	0.6
206.16513	5.2
210.14946	1.0
216.59718	0.5
219.14970	1.1
234.16025	19.0
252.17053	5.7
258.17102	0.9
260.18900	0.7
268.19135	0.5
269.17441	2.6
270.18152	3.1
286.20242	3.1
326.20554	4.5
328.22351	3.2
336.19199	1.0
344.21817	36.3
376.24475	1.0
382.23550	0.8
400.24573	2.3
410.23206	0.8
428.23593	1.8
445.26599	24.6
477.29263	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05048	1.5
67.05514	12.0
69.07068	3.3
74.71507	1.6
79.05444	1.8
81.07063	9.1
92.49065	1.7
95.08607	7.1
105.07035	11.0
107.08592	8.3
107.62601	2.0
109.10165	62.1
115.36569	2.0
117.07058	2.3
119.08601	7.1
121.10192	2.1
126.13147	1.6
131.08574	18.6
133.06494	13.8
133.10158	9.2
145.10121	32.9
147.11679	2.2
156.09375	2.0
157.10167	2.5
157.69647	2.1
159.08006	15.3
159.11726	8.8
171.11688	3.5
173.09630	2.9
173.13260	3.7
175.14760	2.9
183.11757	2.1
185.13297	3.3
187.14825	41.5
201.16428	4.3
213.16339	2.4
215.14305	85.1
399.30542	6.9
417.31516	15.2
477.33655	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31975	0.7
55.05516	1.8
57.07079	1.2
60.72599	0.9
62.06938	0.7
67.05515	9.1
69.07063	5.6
79.05500	1.8
81.07050	8.8
83.08620	0.8
91.05493	1.5
93.07042	6.4
95.08603	10.4
98.96677	0.9
105.07018	7.5
107.08596	11.2
109.09439	1.6
109.10161	40.8
119.04914	1.3
119.08602	16.3
121.10119	7.3
123.08016	1.2
131.08569	11.5
133.06499	5.4
133.07446	0.9
133.10118	9.8
135.11650	3.5
139.04514	0.8
139.83168	0.8
143.08583	1.5
145.10124	23.1
147.11679	7.0
149.13261	3.9
157.10118	4.1
159.08093	9.5
159.11664	6.9
161.13283	3.9
171.11705	4.8
173.09612	4.1
173.13231	7.5
174.67554	0.8
175.14844	10.1
183.11726	1.6
185.13290	5.4
187.11206	1.2
187.14810	26.8
187.16342	1.6
189.16440	1.6
193.36241	0.8
197.13379	2.0
199.11546	1.0
199.14917	1.2
201.12671	0.8
201.16362	1.7
209.13283	1.8
211.14786	1.9
213.12796	1.3
213.16368	1.2
215.14313	55.7
225.16316	1.1
227.17961	1.3
229.15910	1.6
237.16321	1.7
251.18076	1.0
253.19601	1.7
269.18933	1.1
277.19644	1.0
291.20990	1.0
360.78357	0.9
399.30573	4.4
417.31650	12.0
459.32132	1.0
477.33633	100.0
503.58594	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	477.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.2
55.21924	0.6
57.07081	0.9
62.36111	0.5
65.50835	0.6
67.05220	0.7
67.05514	10.2
69.07086	5.4
69.07392	0.7
70.07944	0.7
73.05101	0.5
79.05495	1.5
81.07059	10.4
83.04996	0.9
83.08633	1.4
91.05489	2.7
93.07037	9.1
95.08607	12.9
97.10168	0.7
102.48739	0.6
105.07032	6.8
105.47587	0.6
107.08603	14.0
109.06509	0.7
109.10152	34.3
109.10909	1.1
111.49871	0.6
117.07121	0.7
119.08586	16.3
121.10123	6.9
121.72205	0.5
123.08053	1.0
123.11646	0.7
125.09596	1.0
131.08543	8.6
133.06511	5.4
133.10117	10.0
135.08049	1.5
135.11665	5.1
143.08582	1.6
145.10130	18.5
147.08076	0.9
147.11710	8.7
149.09615	1.2
149.13226	4.4
155.08611	1.0
157.10106	4.5
159.08090	4.8
159.11685	8.0
161.09663	0.8
161.13271	3.7
163.11127	0.8
168.09439	0.7
169.10130	3.3
171.11736	4.8
172.08717	0.7
173.09691	3.1
173.13228	7.4
175.11194	1.0
175.14818	12.7
181.10159	0.8
183.11688	2.9
185.13280	4.2
187.11174	1.0
187.14796	17.5
189.16364	0.8
196.12436	1.2
197.13278	1.4
199.14842	3.3
201.16498	0.9
203.17914	0.9
209.13290	1.2
211.14925	4.4
213.12759	0.8
213.16373	1.1
214.00256	0.7
215.14291	32.2
223.14830	0.9
225.12729	1.2
225.16414	3.2
227.17989	1.1
229.15894	1.0
233.61346	0.7
237.16309	1.0
239.18044	2.9
249.16176	0.8
251.17924	1.2
253.19656	1.4
255.17505	2.5
267.17401	1.1
269.18921	1.5
277.19693	0.9
309.22012	0.7
361.25150	0.7
399.30536	3.7
417.31516	12.3
459.32739	1.0
477.33633	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88283	0.7
55.05503	1.3
57.07075	1.2
67.05509	12.3
67.43727	0.7
69.07075	5.9
69.96963	0.8
70.16622	0.8
70.36037	0.8
79.05512	1.7
81.07075	8.2
83.04972	1.3
91.05488	1.9
93.07040	6.5
93.73056	0.8
94.53959	0.7
95.08607	9.7
105.07032	14.0
107.04942	1.2
107.08577	11.2
109.06580	1.1
109.10162	55.6
117.07042	4.0
119.04932	3.4
119.08587	11.0
121.06509	1.0
121.10136	6.8
123.11723	0.8
125.89758	0.8
129.07002	0.8
131.08571	23.6
133.06494	11.6
133.10118	7.1
135.11661	1.8
143.08575	4.3
145.06448	1.2
145.10120	31.5
147.08066	1.5
147.11688	4.7
149.13271	1.7
155.08493	0.9
156.09343	0.9
157.06474	0.9
157.10132	7.2
158.10980	1.0
159.08029	19.8
159.11676	12.7
161.13252	3.9
163.14752	1.0
169.10133	3.0
171.11688	5.4
172.08852	1.2
173.09615	5.5
173.13211	9.3
175.14827	4.7
182.10974	1.1
182.15520	1.0
183.11743	1.3
185.13234	5.8
187.11171	3.0
187.14815	41.1
189.16364	1.4
195.11562	1.2
197.13261	3.9
199.14825	4.3
201.16444	4.3
209.13268	1.2
211.14832	3.7
213.12782	1.1
213.16432	3.5
215.14307	81.5
225.16553	1.7
227.17993	1.3
229.15886	2.8
235.14996	0.9
239.18079	1.1
241.19603	1.0
263.17935	1.2
268.08801	0.8
277.19672	0.9
279.21054	0.9
317.22971	1.0
329.53207	1.1
389.31747	1.4
399.30417	6.2
417.31531	18.3
459.32614	1.9
477.33615	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	9.3
55.05513	15.1
61.94661	9.1
67.05505	25.8
69.07053	15.9
71.04990	13.8
79.05493	23.5
81.07063	73.4
83.08606	9.7
91.05428	14.0
93.07040	71.4
95.08616	100.0
98.21067	10.6
105.07034	52.1
107.08598	76.9
109.10160	72.8
114.06662	14.8
119.08577	52.7
121.10140	53.9
123.11712	16.4
133.10152	45.7
135.11703	71.6
145.10101	24.4
147.11697	42.1
149.13280	44.5
159.11617	36.2
161.13248	23.2
169.93813	10.0
170.11623	13.8
173.13254	14.5
175.14876	20.6
178.70935	10.7
181.76877	10.3
182.15369	25.0
185.13252	12.6
198.14867	25.5
328.23599	11.8
423.36023	19.1
441.36990	19.0
477.28339	13.8
477.40042	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	478.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47824	0.5
63.21701	0.4
68.05033	0.7
68.85933	0.5
70.06594	0.7
84.08179	0.7
85.02903	0.7
86.06065	4.7
86.09667	0.7
90.02019	0.5
96.77198	0.5
97.02904	0.6
103.05466	2.2
107.04969	0.7
120.08104	100.0
129.10225	0.5
131.04942	3.4
147.04427	3.5
149.05972	2.8
157.09666	0.9
166.08626	49.9
178.41864	0.5
245.14980	5.2
365.04138	0.5
478.24246	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	478.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98666	1.1
56.05048	49.1
59.03550	1.3
61.53318	1.5
62.81256	1.5
70.06599	7.9
72.04520	39.8
81.07059	7.5
84.08163	2.3
85.02921	2.5
91.05505	2.2
92.20923	1.8
93.07044	2.0
96.46473	1.5
109.06525	22.7
112.07613	2.6
112.70319	1.5
114.05562	4.0
117.06593	19.4
118.05013	2.1
120.08115	64.0
126.09156	23.8
135.07675	1.7
136.07571	20.3
137.05986	100.0
154.08629	45.3
166.08661	3.6
172.09686	7.5
177.08693	22.1
177.16422	3.5
188.07115	1.9
210.11372	2.6
220.09685	4.0
225.12411	2.4
235.10648	2.2
253.11746	7.8
256.13425	12.5
295.12949	3.8
301.15329	2.5
302.14014	2.0
313.13849	14.8
319.16513	2.7
331.15134	2.8
334.10767	2.7
372.19040	1.9
400.18454	3.5
418.19641	9.7
432.21112	19.1
460.20703	25.4
478.15414	3.3
478.21722	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	478.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58816	0.5
58.34231	0.6
58.52301	0.6
64.48705	0.7
67.18368	0.6
72.85948	0.6
73.40269	0.6
81.07088	1.7
88.33199	0.6
89.56084	0.6
93.07079	0.8
95.04990	0.8
103.00326	0.8
121.06506	1.2
124.17978	0.7
136.06178	22.7
306.11313	4.4
316.09741	4.7
317.10449	13.0
318.11407	1.2
320.09164	15.7
330.11249	8.4
334.10730	12.2
335.11465	18.0
336.12564	1.2
348.12283	17.6
362.14072	3.2
390.16992	1.3
404.18466	5.4
432.17831	0.9
446.19711	8.7
448.17606	11.8
463.19974	0.8
478.22290	100.0
478.30093	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	478.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34690	0.3
66.06953	0.3
77.31610	0.3
79.25762	0.3
90.28853	0.3
134.63672	0.3
148.01292	0.4
320.09207	1.3
334.10703	8.1
348.12225	3.4
349.13080	6.0
434.19629	3.7
448.21545	0.4
450.22833	1.5
462.19135	22.3
463.19830	4.2
478.22256	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.3
69.03415	9.6
69.07065	6.5
73.02927	1.5
81.03408	4.7
81.07056	8.2
83.08621	7.8
85.02909	29.9
87.00824	10.0
91.34682	1.2
93.07037	7.1
95.08614	23.4
97.02885	8.0
97.10165	6.1
99.04427	3.0
99.08094	10.3
105.01872	13.4
107.08595	31.3
109.02856	9.3
109.10154	7.8
111.08096	5.5
121.10150	51.0
125.09632	2.1
127.03918	18.7
129.01880	1.2
135.11716	15.9
137.13243	8.2
145.04976	5.7
149.13271	2.4
155.65717	1.3
159.02867	4.6
177.16382	100.0
195.17424	20.6
213.18504	24.7
231.05008	3.1
249.06020	1.7
379.71768	1.2
385.47324	1.4
389.19705	2.3
425.21835	2.0
478.37827	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	478.2926
Annotation	Aminopotentidine
Peak:m/z	Relative Intensity
55.05514	1.8
57.07067	0.3
59.41545	0.3
60.04524	0.7
62.06099	0.4
67.05505	2.3
67.98438	0.4
69.07069	2.9
76.70523	0.3
79.05491	0.4
81.07062	2.3
83.08636	1.4
86.06076	0.6
86.09744	0.3
95.08618	2.3
97.10164	0.5
98.06057	3.3
98.55180	0.4
107.08617	0.9
109.10140	0.7
112.07618	0.4
126.09127	0.4
175.46902	0.4
194.84840	0.4
196.16960	0.5
208.17050	0.5
222.18498	0.5
224.20117	0.5
272.82568	0.4
306.27899	100.0
324.29037	0.5
408.45914	0.3
478.33566	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	478.2927
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
53.36260	0.4
53.86110	0.3
55.05510	1.9
57.22720	0.3
58.66259	0.3
60.04507	0.4
62.06075	0.4
63.35427	0.4
67.05503	1.9
69.07063	1.9
71.02573	0.4
81.07064	2.1
83.08627	0.8
95.08606	1.9
96.97716	0.4
98.06059	5.2
109.10165	0.6
137.98734	0.3
208.16991	0.6
220.82648	0.5
227.80754	0.4
236.19984	0.4
261.73724	0.4
306.27905	100.0
478.33578	0.6
493.06927	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	478.2926
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
55.05518	3.9
57.07061	1.9
62.06096	34.6
67.05505	25.6
68.82661	2.0
69.07090	17.1
74.45297	1.9
79.05499	4.2
81.07062	31.9
83.08631	4.6
91.05499	3.3
93.07039	9.9
95.08608	30.2
98.98451	8.6
103.12048	2.2
107.08595	5.1
109.10161	13.9
121.10123	4.8
123.11723	3.9
133.10228	3.1
139.01837	2.1
147.11671	3.1
155.01039	4.9
161.13213	2.5
216.06345	3.2
306.27847	14.7
337.27338	100.0
337.31406	4.1
367.58270	2.3
383.49136	2.7
417.23865	9.2
454.20593	2.6
460.28207	31.9
478.29156	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	478.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18838	0.3
57.99679	0.3
75.01164	0.3
97.67109	0.4
105.23789	0.3
189.52675	0.3
196.17009	1.6
197.17291	0.6
329.20163	2.5
335.54126	0.4
434.25900	8.5
448.27377	1.4
449.28186	2.5
462.29446	0.5
478.32153	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03994	0.2
97.10147	0.2
99.37146	0.2
115.94621	0.2
131.38771	0.2
142.66396	0.2
162.12737	0.2
195.68352	0.2
208.06386	0.2
219.50516	0.2
248.83516	0.2
285.13644	0.3
291.64389	0.2
296.74152	0.2
329.20193	2.3
434.25861	8.0
448.27505	1.0
449.28329	2.6
478.32147	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.3
57.03447	0.4
59.24195	0.4
61.02924	1.5
69.03450	3.4
81.03417	0.7
85.02912	8.0
86.94843	0.3
97.02905	2.4
97.83472	0.3
98.87881	0.4
99.04434	0.4
109.02860	1.5
127.03918	0.5
145.04993	0.4
151.03935	0.4
153.01846	0.7
204.72891	0.4
229.04898	0.4
246.05157	0.4
250.77126	0.3
257.04309	0.4
274.04691	0.8
285.03870	3.7
302.04129	9.7
317.06546	100.0
338.05688	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	479.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06094	0.2
57.03719	0.2
59.36764	0.2
69.03434	0.5
72.11297	0.2
79.33062	0.2
81.03428	0.9
83.08609	0.3
85.02911	1.5
86.09705	0.3
97.02876	0.9
120.08145	0.3
127.03889	0.3
145.04932	0.2
153.01805	4.0
165.05492	2.2
169.08676	0.3
193.12383	0.3
276.22238	0.3
302.00815	0.3
302.04218	12.3
317.06570	100.0
327.04874	0.3
349.15799	0.2
479.11926	8.3
479.22498	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	479.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15983	0.6
53.16362	0.6
71.38165	0.8
106.13197	0.7
107.21439	0.8
131.04922	1.8
133.06601	0.8
133.78342	0.7
137.06006	3.6
138.99350	0.7
147.04379	1.5
149.05957	1.1
150.06783	1.1
161.05962	0.8
162.06702	1.2
163.07489	0.8
184.05185	1.1
200.04666	1.8
211.03929	1.6
212.04611	1.3
227.07028	1.3
228.04099	3.0
239.03371	46.6
243.06520	7.8
255.06577	5.5
255.08887	0.7
256.03629	3.0
265.04962	0.9
267.02872	8.9
267.07053	0.7
268.03680	1.3
271.06024	15.7
281.04498	1.4
282.05228	4.0
283.05988	5.5
284.03122	24.2
299.05484	100.0
301.07001	1.4
325.07071	1.5
389.93466	0.8
429.09485	3.2
449.12332	39.6
461.12231	7.3
479.13095	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	479.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90382	0.4
65.68193	0.5
66.58661	0.4
67.05520	0.6
70.10793	0.4
80.70129	0.4
81.07053	0.9
95.08619	1.0
107.08579	0.7
109.10170	2.4
119.08566	0.9
159.11792	0.7
165.85753	0.5
195.08743	0.5
203.05237	0.6
223.14774	0.5
239.11440	0.8
243.14433	0.7
245.07904	2.3
251.11275	9.8
257.09955	0.7
261.07394	2.8
269.12329	12.8
275.11060	9.4
287.13333	5.2
299.12592	3.6
317.13712	4.1
419.33237	2.5
423.12692	2.4
431.01636	0.5
434.43637	0.6
479.18909	100.0
479.24969	12.9
479.35239	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	479.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81934	0.4
67.05502	0.8
69.03429	0.4
69.07070	0.7
71.92338	0.4
81.07059	4.5
82.77236	0.4
85.02914	3.2
85.06519	0.4
89.93412	0.4
93.07048	0.7
95.08604	2.1
97.02892	0.5
99.04478	0.6
102.64552	0.4
103.03941	3.2
105.07043	0.8
107.08584	0.7
109.10157	2.3
119.08556	1.0
121.10167	0.5
127.03922	3.3
133.10136	0.7
135.11661	0.4
137.13303	0.6
145.04959	1.6
145.10164	0.5
147.11725	0.9
159.11691	0.5
163.06015	0.8
205.72449	0.4
243.14920	0.4
245.07819	1.9
257.10007	0.5
261.07468	0.9
275.08072	0.5
275.10983	13.9
306.11746	0.5
317.13657	1.8
419.32724	1.6
423.12790	1.2
461.34634	0.5
479.18872	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	479.212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	3.0
57.03440	5.0
60.41146	0.6
67.05508	10.2
69.07066	8.6
78.80655	0.7
79.05485	3.9
79.82810	0.7
81.07063	44.6
83.04978	5.8
83.08634	7.2
85.02915	2.9
85.06549	3.7
86.09695	0.9
91.05485	13.0
93.07051	4.8
95.01294	1.1
95.08604	8.3
97.02876	0.8
97.06549	6.5
99.08107	3.8
104.45588	0.7
105.07043	19.5
107.08600	13.2
109.06536	4.0
111.08038	0.9
113.06025	1.3
119.08588	16.0
121.10139	18.3
123.08049	3.8
123.11704	30.1
127.07554	3.7
133.10164	3.6
137.13269	1.8
141.01845	3.9
141.09169	1.0
145.10074	0.8
147.11688	88.5
157.10162	3.5
165.12744	37.3
175.11203	5.2
183.13815	3.2
193.12277	3.2
208.89960	1.0
209.91695	0.8
229.14311	7.4
267.15900	47.7
285.16968	100.0
290.08179	1.1
302.08017	0.8
317.06418	1.0
318.07681	1.1
319.08478	6.5
334.10681	14.0
358.82507	0.8
392.55350	0.8
402.21976	1.1
443.18900	3.3
461.20224	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	479.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04777	2.5
56.05042	55.7
57.03446	1.4
58.06609	10.0
61.01151	21.2
63.08010	1.0
69.04127	1.0
70.02961	1.5
70.06582	5.1
73.23367	1.1
74.06083	99.9
84.04510	6.0
84.08135	2.0
86.06030	1.5
86.09225	2.1
86.09708	35.2
88.03992	5.0
95.71329	1.2
97.34655	1.1
101.07151	2.3
104.05333	100.0
106.82925	1.1
108.04491	2.6
110.06041	1.7
114.75855	1.2
125.07111	5.6
126.05512	19.4
127.08636	2.0
129.06625	1.6
130.04912	2.2
130.06859	2.8
130.08652	1.5
132.10194	31.8
138.05515	2.6
144.06564	25.4
144.09959	1.2
145.06134	1.2
153.06573	2.7
155.08180	1.6
156.04814	5.9
158.11781	2.6
169.13396	5.9
171.07668	10.6
174.05838	34.1
175.08949	2.5
181.06107	1.8
187.14447	13.4
189.08705	21.2
197.12871	10.8
199.07285	4.3
200.05426	1.4
201.06905	37.1
202.05348	2.6
215.13908	27.0
217.08142	14.1
219.07994	22.2
233.14958	59.9
243.13376	8.3
246.07567	2.7
247.02689	18.5
247.07468	36.2
284.16025	8.8
303.05463	1.4
320.12405	1.6
330.11063	4.9
330.16510	11.9
348.12192	35.8
348.17590	6.6
371.17197	1.2
415.20267	1.9
443.19644	8.3
461.07013	2.0
461.20676	50.5
479.08035	10.2
479.14618	1.5
479.21753	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	479.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	1.2
55.01873	1.9
55.05522	9.2
57.03434	5.3
57.07080	1.0
67.05515	10.9
69.03423	4.0
69.07078	16.7
71.08276	1.4
71.08633	23.0
74.06079	1.0
75.04459	1.0
79.05487	7.6
81.03433	1.3
81.07058	14.5
83.04949	0.9
83.08626	4.3
84.18801	0.8
91.05468	4.8
93.07041	10.7
95.04955	2.0
95.08591	6.4
97.06516	1.1
97.10180	8.4
99.08083	15.0
105.07034	5.5
107.08609	8.3
109.06553	1.3
109.10161	8.4
111.08054	1.3
111.11723	1.5
113.00014	84.9
116.08212	8.6
119.08581	1.7
121.06468	4.2
121.10112	3.6
123.08071	1.6
123.11720	1.9
125.09630	8.0
131.08556	2.1
133.10106	2.1
135.08061	3.9
135.11739	2.0
136.06186	3.5
137.09679	0.9
139.11127	1.7
148.81641	1.0
149.09645	1.2
149.13208	1.6
151.11159	5.2
159.11696	1.5
160.07138	1.5
163.11159	1.1
165.12813	1.1
167.10742	2.1
169.02618	21.2
173.13336	1.1
177.12755	4.2
187.03706	4.3
227.12820	2.2
247.20418	1.7
275.20032	14.3
293.21097	100.0
321.09824	1.0
349.19211	1.0
349.23431	6.7
367.24780	70.9
429.20297	1.8
435.29462	1.6
443.21887	34.8
461.22894	26.1
479.28061	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	479.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49996	0.3
55.05523	0.9
59.22210	0.4
65.21862	0.4
67.05508	5.4
69.03434	0.5
69.07069	5.0
71.04971	0.4
79.05499	0.9
79.41921	0.4
81.07072	6.0
83.04973	0.7
83.08601	0.6
91.05466	0.6
93.07049	3.9
95.08608	9.0
97.10181	0.5
105.07055	3.3
107.08593	5.2
109.10159	17.7
109.10902	0.6
113.05807	0.4
117.07004	0.6
119.08579	7.2
121.10130	5.6
123.08092	0.4
123.11702	2.5
125.09621	0.9
129.13971	0.3
131.08597	2.2
133.10126	5.1
135.08064	0.4
135.11700	2.9
137.13237	0.7
143.05586	0.4
143.08543	1.6
145.10127	5.3
147.11694	4.7
148.86899	0.4
149.13277	1.7
155.05505	0.5
155.08511	0.5
157.10136	3.5
159.11674	5.3
161.06618	0.5
161.13251	2.5
163.11298	0.6
165.12712	0.4
169.10135	2.5
171.00536	0.6
171.11679	4.0
173.13226	4.4
175.14842	2.5
181.10103	0.6
183.11635	2.2
185.13243	3.8
187.04509	1.4
187.14777	3.6
189.01595	0.6
189.16344	0.7
195.08691	1.6
195.11626	0.9
197.10246	1.7
197.13252	2.5
199.14777	2.2
201.06117	2.2
201.16385	2.1
203.05319	0.9
205.05531	0.7
205.09215	0.5
207.12027	0.8
209.13139	1.0
211.14793	1.8
213.09648	3.6
213.16434	2.1
215.11304	0.8
215.17949	0.7
217.15791	0.6
219.07132	2.6
221.10181	2.3
223.14822	1.9
225.13330	5.2
225.16360	2.2
227.17868	1.9
231.10661	0.5
233.10104	5.5
235.14742	0.7
237.16379	2.2
239.11320	5.0
239.17946	2.9
241.19510	0.8
243.06284	0.9
243.14372	8.4
245.07948	2.8
251.11258	53.7
251.17995	2.1
253.19458	3.4
255.20982	0.5
257.09863	0.6
257.12317	1.4
261.07303	4.5
261.15494	1.0
265.19489	0.9
267.21024	0.7
269.12311	75.2
274.12790	1.5
275.10974	9.7
275.17914	0.4
279.21024	0.7
287.13382	29.4
291.21124	0.8
292.13934	0.8
292.21854	0.7
293.22672	0.8
297.22305	0.5
299.12457	4.5
300.21411	0.4
313.21603	1.0
317.13516	4.8
319.24304	0.6
361.28882	0.8
401.32007	5.7
419.33124	15.3
423.12439	2.4
461.23984	3.0
461.34030	4.1
479.18683	100.0
479.24899	73.5
479.35129	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	479.25
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28926	0.3
55.05513	2.1
59.70306	0.3
60.40120	0.3
69.03431	0.3
72.08156	29.8
73.50018	0.3
74.03724	0.3
74.06054	0.3
85.02892	0.6
86.06072	0.6
86.09692	0.6
92.21210	0.5
95.08590	0.4
97.02914	0.5
103.05429	0.4
114.05529	1.9
120.08101	100.0
122.06026	0.4
130.05016	0.7
136.63509	0.4
162.10406	0.3
163.16805	0.3
201.12383	1.5
219.13094	3.0
219.14973	2.5
226.02937	0.4
245.85413	0.4
247.14369	0.6
261.12299	15.9
274.61011	0.4
317.06476	4.7
332.19708	5.0
360.19159	12.0
366.20209	0.5
419.88086	0.4
461.23923	1.6
479.16333	0.5
502.95734	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	479.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05045	5.4
60.05638	0.9
64.33462	0.7
67.05507	3.5
69.04563	0.6
70.06589	3.4
72.04533	7.1
74.02446	3.2
74.06081	6.1
76.05134	19.9
78.92207	0.7
80.05021	1.3
81.03429	7.7
81.07066	0.9
83.08624	4.8
86.07195	3.3
86.09694	1.2
87.36742	0.7
91.05489	1.3
93.07077	0.7
95.04981	2.7
95.08683	0.8
96.05617	25.1
98.07195	1.1
102.05552	2.9
105.07059	1.0
107.08606	1.2
109.10197	5.4
110.07237	0.8
111.08093	1.1
114.06658	16.4
116.08232	1.1
118.05016	9.3
119.08596	1.0
120.06591	2.8
135.07651	1.8
136.07588	1.0
147.11629	1.3
149.09528	0.9
157.10126	2.9
158.94815	0.8
160.07199	9.6
175.11229	4.1
177.09851	8.8
192.13858	1.6
193.12198	13.6
195.84973	0.7
203.10315	1.4
211.13292	1.1
232.14490	3.8
244.58994	0.8
250.15456	0.8
267.15942	1.7
268.16519	1.1
284.18661	1.0
342.19846	1.0
351.31458	0.8
360.21292	7.4
362.23001	0.8
378.22638	4.1
415.52597	1.0
461.26035	11.5
479.27118	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07787	0.6
52.58269	0.6
53.50792	0.6
54.71115	0.6
56.05037	4.4
56.44562	0.7
57.08356	0.7
60.05653	1.7
64.84903	0.6
67.05502	3.7
70.06594	5.2
72.04509	8.0
72.08170	1.2
74.02448	1.2
74.06071	4.7
76.05132	21.4
78.14882	0.9
79.05491	1.2
80.05032	0.9
81.03431	11.1
81.07059	1.3
83.08620	4.3
84.08147	2.9
85.19302	0.8
86.07204	1.6
86.09707	3.1
88.03987	1.1
91.05495	0.9
91.28063	0.7
93.38581	0.7
95.04964	4.3
95.08607	1.0
96.05610	27.0
96.08131	0.7
98.07156	0.8
102.05540	3.9
105.07059	1.0
109.10164	4.9
110.07150	1.6
111.08059	1.8
114.06644	18.0
116.08212	1.2
118.05012	10.1
119.08620	3.0
120.06596	3.6
120.08089	1.2
129.10226	1.2
133.10173	0.7
135.07669	4.3
136.07581	1.0
149.06284	0.9
157.10031	1.6
159.09201	3.8
160.07133	11.2
160.09525	1.2
165.11438	0.8
173.11728	0.9
175.11205	3.8
177.09840	10.6
190.12477	1.1
192.13850	1.7
193.12227	14.8
204.14923	0.8
211.13495	1.3
220.06416	0.9
232.14499	4.1
235.43471	0.8
244.77206	0.7
267.15930	1.4
292.42380	0.8
312.15939	0.8
313.58215	0.8
341.62271	0.8
360.21454	8.4
378.22440	3.7
420.91730	0.8
461.25934	12.8
479.27139	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	2.7
60.05653	0.9
67.05511	2.5
68.57491	0.5
70.06591	0.8
72.04518	7.1
74.02441	0.9
74.06077	3.1
76.04706	1.0
76.05132	25.2
80.05014	1.2
81.03419	10.1
81.07071	0.7
83.08640	4.8
86.07201	1.0
93.87785	0.5
95.04967	3.1
95.08614	0.6
96.05616	16.9
97.06432	0.7
98.07169	2.5
102.05570	2.0
105.07012	0.8
106.26172	0.5
109.10164	2.5
111.08084	2.2
114.06647	13.3
116.08229	3.3
118.04998	11.0
119.08578	1.1
120.05659	0.6
120.06576	2.8
133.10152	0.9
135.07675	3.3
147.11714	2.7
149.09592	0.6
155.43338	0.5
157.10120	1.2
160.07172	14.0
175.11140	3.6
177.09816	13.3
192.13826	1.1
193.12253	15.2
193.14040	0.8
204.15001	0.6
206.02399	0.5
211.13339	1.2
224.71233	0.5
232.14442	5.0
236.83519	0.5
250.15562	0.7
267.15918	3.5
342.20227	1.0
360.21387	6.1
378.22391	3.9
461.26071	13.3
461.32278	0.7
479.27106	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	6.3
62.82111	1.1
63.70477	1.3
63.86855	1.2
67.05518	14.8
69.03420	1.5
69.07082	16.9
70.46705	1.5
73.06412	1.0
79.05524	4.3
81.07061	21.5
83.04998	2.1
83.08633	2.7
83.36552	1.1
91.05495	2.3
93.07043	13.3
94.33086	1.2
95.08620	37.8
97.06528	1.5
97.10207	2.0
105.07056	11.5
107.08598	24.6
109.06516	1.1
109.10165	59.5
110.38527	1.1
111.08100	1.6
111.11705	1.5
117.06992	2.8
119.08588	24.7
121.10157	19.1
123.11726	10.9
125.09637	1.4
129.85527	1.2
131.08580	9.7
133.10133	19.7
135.08080	5.1
135.11716	10.5
137.13251	2.7
143.08542	6.2
145.10123	22.4
145.11102	1.8
147.11702	18.7
149.13290	7.2
155.08611	2.1
157.10147	14.8
159.11707	15.6
161.09695	1.6
161.13295	12.5
163.11203	1.6
163.14767	2.4
169.10156	7.7
171.11710	13.0
173.13258	18.7
175.14854	7.4
177.16417	1.6
181.10159	1.6
183.11719	9.1
185.13246	12.5
187.14816	13.1
189.16446	1.8
191.83191	1.2
195.11667	5.3
197.13269	7.0
199.14935	10.5
201.12589	1.3
201.16374	9.6
207.11647	1.4
209.13271	7.5
211.14780	9.5
213.16309	8.6
215.17941	2.8
217.15878	2.9
221.13306	2.7
223.14874	2.7
225.16434	12.2
227.17944	5.0
235.14931	2.3
237.16397	8.5
239.17960	6.6
241.19540	2.2
249.16328	1.5
251.18045	6.7
253.19510	13.4
265.19632	6.2
267.21042	5.4
277.19598	2.6
279.21085	2.5
290.20297	1.6
291.21082	2.6
293.22775	2.7
319.24039	1.4
375.16446	1.5
391.33682	2.1
401.31882	20.8
419.33063	54.0
421.31046	1.7
461.33951	10.1
479.35242	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	479.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23920	1.9
50.98746	2.5
55.05496	2.3
58.29859	2.5
66.86589	2.4
67.05510	10.7
68.87527	2.2
69.07066	12.3
75.03757	2.3
79.61347	2.3
81.07064	15.2
87.31808	2.9
93.07038	13.2
95.08615	25.0
98.03429	2.2
105.07066	4.7
107.08585	20.4
109.10159	45.2
119.08546	23.9
119.54699	2.2
121.10136	15.8
123.11716	2.8
125.09599	3.7
131.08586	4.2
133.10147	13.7
135.11708	5.6
143.08530	5.3
145.10162	20.6
147.11661	15.2
149.13216	4.0
157.10147	5.1
159.11668	16.6
161.13260	6.1
169.10161	5.9
171.11668	10.3
173.13264	3.7
175.14870	5.2
183.11818	3.2
185.13242	10.7
187.14851	3.8
197.13237	5.1
199.14755	4.8
201.16275	3.9
211.14813	3.2
223.14922	3.2
225.16437	5.7
227.17921	3.8
237.16341	6.2
239.18089	3.0
244.75681	2.4
251.03578	2.5
251.17992	4.6
253.19424	4.7
263.18152	2.5
265.19699	3.6
279.21057	3.1
319.24124	2.8
345.26035	3.0
352.21445	3.1
401.31949	27.2
419.33066	70.8
461.33890	12.2
479.35168	100.0
492.28049	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	479.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	1.0
55.05511	2.9
57.07103	1.1
67.05505	14.1
69.03432	1.0
69.07078	10.3
71.99303	1.5
79.05499	1.7
81.07057	17.6
83.04968	1.8
83.08636	1.8
91.05473	2.2
93.07045	10.8
95.08604	21.9
105.07024	10.0
107.08594	19.7
109.06489	1.7
109.10146	43.0
117.07018	2.6
119.08581	23.7
121.10133	20.1
123.11710	6.0
131.08571	9.3
133.10133	16.8
135.08115	1.8
135.11703	6.9
137.13205	1.5
143.08569	6.7
145.10126	19.1
147.11679	15.6
149.13271	6.1
157.10139	14.0
159.11694	13.9
161.13292	10.1
163.14810	2.6
169.10152	6.0
171.11719	12.7
173.13232	12.8
175.14679	8.9
181.10117	1.9
183.11678	7.8
185.13196	9.7
187.14787	10.3
189.16441	1.9
195.11679	3.1
197.13286	8.2
199.14859	8.1
201.16400	7.7
208.12521	1.4
209.13321	5.7
211.14821	3.0
213.16405	7.2
215.18002	1.7
217.15932	2.5
223.14832	5.4
225.16431	7.3
227.18010	6.2
229.19511	1.8
231.17523	1.7
237.16412	6.3
238.17055	1.6
239.17961	6.9
241.19595	2.0
249.16237	1.6
251.18010	5.4
253.19431	9.6
265.19559	3.0
279.20990	1.9
281.22543	1.7
291.21152	2.8
293.22723	3.1
317.22495	1.6
319.24313	1.7
333.45959	1.4
361.28778	2.2
391.33707	3.1
401.32007	25.0
419.28128	1.8
419.33054	58.5
461.34329	9.6
479.35239	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00073	3.3
51.18364	2.8
53.20693	2.8
56.58472	2.8
57.00143	3.4
67.05511	8.9
69.07063	22.8
80.33740	3.2
81.07058	17.3
83.04955	4.2
93.07025	4.8
95.04977	4.9
95.08639	38.7
105.06979	4.3
107.08616	13.7
108.61281	3.2
109.10161	61.8
119.08567	21.0
121.10142	14.3
122.91125	3.2
123.11664	14.9
131.08551	4.4
133.10173	14.0
135.15550	3.5
143.08603	4.1
143.68919	3.6
145.10161	20.2
151.11150	8.0
157.10121	6.3
159.11684	7.2
171.11778	6.1
173.13164	4.7
183.11673	5.6
197.13271	6.9
197.63667	3.9
253.19537	6.7
359.16977	3.8
419.33057	7.5
479.35141	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.0
64.87887	0.3
67.05507	4.9
69.03421	0.4
69.07070	4.8
79.05462	0.7
81.07057	7.0
83.08637	0.6
91.05463	0.8
92.20969	0.5
92.21448	0.6
93.07056	4.0
95.08598	9.3
97.10130	0.5
105.07030	3.9
107.08591	8.5
109.06475	0.7
109.10155	16.9
111.03587	0.4
117.07001	0.4
119.07885	0.5
119.08586	7.9
121.10136	5.6
123.11678	3.0
125.09606	1.0
131.08521	2.2
133.10127	5.1
135.11649	2.8
137.13197	0.6
143.08563	1.8
145.10112	4.7
147.11682	5.5
149.09576	0.7
149.13205	1.8
155.05487	0.5
157.10117	4.2
159.11670	5.2
161.13271	4.0
163.11174	0.5
163.14815	0.8
169.10095	2.6
171.00491	0.8
171.11676	4.9
173.06528	0.6
173.13277	3.9
175.14743	0.9
181.10086	0.7
183.11624	2.8
185.13214	4.0
187.04442	0.6
187.14902	4.0
189.16289	0.7
195.08632	1.0
195.11639	1.5
197.10262	1.0
197.13252	1.8
199.14737	2.6
201.06021	1.7
201.16377	2.0
203.05199	0.9
203.17874	0.4
205.05600	1.6
207.12109	0.8
209.13191	1.0
211.14804	2.7
213.09709	4.2
213.16457	2.9
215.17876	0.7
217.15826	0.7
219.07079	2.6
221.10248	3.7
221.13266	0.8
223.14755	2.0
225.13359	5.1
225.16496	3.0
227.17934	2.0
231.10831	0.5
233.10222	4.3
237.16536	3.0
239.11305	5.5
239.17894	2.6
243.06166	1.0
243.10271	0.4
243.14401	10.2
245.07886	4.2
251.11261	57.1
251.17957	2.4
253.19467	3.2
257.09906	0.6
257.12332	2.1
261.07346	5.0
261.15366	1.9
263.18118	0.5
265.19339	0.8
269.12317	77.5
274.12805	2.3
275.10989	9.4
277.19440	0.9
279.21109	0.7
287.13373	30.3
290.20264	0.6
291.20895	0.5
292.13864	2.0
292.21756	0.8
292.33386	0.5
293.22693	0.9
299.12463	4.3
313.21631	0.6
317.13672	3.9
345.25488	0.4
351.02594	0.5
361.28821	0.5
401.31921	5.2
419.27975	0.7
419.33087	14.6
423.12421	1.7
461.23648	0.9
461.34311	3.3
479.18558	100.0
479.24811	67.8
479.35004	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	479.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.5
57.07076	1.5
60.19576	1.5
67.05508	18.1
69.07062	19.9
79.05498	1.9
80.44116	1.2
81.07061	20.5
81.86507	1.3
83.04971	1.8
83.08607	2.0
91.05476	2.6
93.07066	10.2
95.04963	3.2
95.08604	40.4
97.10165	2.9
105.07011	9.8
107.08604	18.1
109.06504	5.4
109.10156	60.1
111.08074	1.7
117.07023	2.5
119.08559	22.3
121.10127	13.3
123.11733	14.6
131.08592	6.8
133.10107	13.6
135.08047	6.0
142.07716	1.3
143.08603	3.2
145.10138	27.9
147.11714	9.7
149.13268	3.1
151.11192	8.9
157.10106	14.4
159.11696	13.2
161.09610	3.0
161.13257	5.8
163.14774	2.8
169.06566	1.3
169.10117	9.6
171.11671	14.3
173.09485	1.8
173.13246	10.3
175.14790	5.7
175.60788	1.8
183.11723	7.1
184.13301	1.9
185.13307	5.5
187.14806	9.9
189.16356	5.1
197.13268	9.0
199.14906	5.8
201.16400	3.4
209.13301	1.8
211.14850	2.2
213.04070	1.4
213.16409	2.9
217.15871	3.5
225.16380	1.8
227.18007	2.8
237.16093	1.4
239.17947	2.4
241.19377	2.1
251.17950	2.7
253.19557	13.6
265.19458	1.8
401.32114	6.5
419.33014	16.6
438.19666	3.3
461.34012	1.9
465.75662	1.5
471.06641	1.6
479.35168	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46656	1.0
55.05515	5.6
56.04655	1.0
57.07079	1.4
58.29386	1.3
63.59678	1.1
67.05508	13.9
69.07073	19.1
79.05492	2.2
81.07055	22.4
83.04981	1.8
83.08628	5.7
91.05471	5.3
93.07029	12.4
95.05016	1.4
95.08610	34.6
95.66917	1.4
96.81932	1.3
97.10181	1.8
105.07037	13.6
107.08604	28.9
108.98306	1.2
109.10150	53.7
117.07016	2.2
117.87032	1.4
119.08579	29.0
121.06518	1.4
121.10132	28.7
123.08095	4.9
123.11716	9.5
129.07043	1.2
131.08572	8.5
133.10126	17.3
135.08089	5.7
135.11714	9.9
135.54529	1.2
137.13263	1.7
143.08560	5.9
145.10123	18.9
147.11642	11.7
148.04572	1.1
149.09669	1.5
149.13281	11.7
157.10107	12.1
159.08026	1.8
159.11679	18.5
161.09618	2.2
161.13237	12.2
163.14815	7.0
167.26897	1.4
169.10164	8.4
171.11674	15.8
173.13222	11.1
175.14804	7.1
181.10149	1.5
183.11687	8.3
185.13223	10.7
187.11110	2.1
187.14850	12.4
189.16418	2.9
195.11745	2.5
197.13226	8.8
199.14851	9.6
201.12999	1.7
201.16408	7.4
209.13274	6.5
210.14264	1.2
211.14822	7.4
213.16406	7.5
215.17975	5.1
217.15906	3.1
221.13161	1.3
223.14764	2.5
225.16388	6.8
227.17986	5.9
235.14835	2.9
237.16214	9.1
238.17012	1.6
239.17957	5.2
241.19498	2.1
249.16214	1.8
251.17990	6.8
253.19606	6.6
263.17883	1.7
265.19583	3.1
267.21085	2.1
277.19785	1.5
279.21002	2.5
281.22678	3.0
291.20993	5.8
293.22635	2.2
295.23801	1.3
309.22205	2.3
321.25793	1.9
337.25082	1.3
345.25928	1.8
363.26547	1.5
391.33594	7.8
395.87860	1.2
401.32001	24.1
419.33090	41.9
461.34164	11.5
479.35211	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.8
67.05505	15.9
67.33809	2.6
69.07066	17.3
70.72093	3.1
71.08600	2.7
81.07058	19.7
83.08633	4.3
89.06027	13.2
93.07023	3.9
95.08590	27.9
97.23719	3.1
105.07035	7.5
107.08629	22.2
109.10160	55.8
118.65782	3.5
119.08579	26.1
121.10139	20.0
123.11674	4.9
131.08551	4.6
133.10126	15.1
135.11679	7.5
143.08611	3.9
145.10106	17.2
147.11678	17.6
149.13248	5.1
157.10114	14.1
159.11662	7.2
161.13274	13.1
171.11690	15.7
173.13237	13.0
175.14812	7.7
185.13298	4.7
187.14873	7.8
189.16356	4.0
195.11737	4.3
197.13336	5.9
199.14804	13.1
201.16457	4.7
209.13158	4.5
213.16464	4.4
237.16458	4.9
239.17963	6.8
253.19418	12.0
275.17700	3.3
315.40216	3.4
401.31888	12.9
419.33023	37.3
461.34457	4.9
479.24097	5.8
479.35077	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	479.352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	2.1
57.07087	1.6
67.05508	12.2
69.07066	12.2
79.05488	3.3
81.07060	16.5
83.08630	2.8
85.43785	1.5
91.05468	2.9
93.07024	13.6
95.08604	29.2
97.06581	1.6
105.07050	14.3
107.08604	27.5
109.10162	31.2
110.13039	1.5
110.24528	1.4
117.07018	2.9
119.08565	28.0
121.10181	17.3
123.11705	2.9
125.09613	2.2
125.83912	1.4
129.07011	2.0
130.66844	1.6
131.08575	9.2
133.10153	18.4
135.08064	8.8
135.11714	8.5
143.08627	5.0
145.10158	26.9
147.11674	21.1
149.13277	3.7
157.10109	17.7
159.11678	23.4
161.09634	3.8
161.13257	10.4
169.10176	3.2
171.11662	14.1
173.13255	21.7
175.11133	2.5
175.14801	10.9
181.10043	2.6
183.11711	10.0
185.13219	14.0
187.14803	26.8
189.16449	8.6
193.09729	1.6
195.11699	1.8
197.13336	3.6
199.14859	13.5
201.16394	14.4
203.17989	3.5
209.13239	3.6
211.14818	3.5
213.16383	13.2
215.18016	3.8
217.15906	13.7
223.14915	2.9
225.16454	6.0
227.17941	6.8
231.17397	2.0
237.16467	3.8
239.18082	6.6
241.19563	6.4
251.17908	2.9
253.19489	3.4
263.17853	1.9
265.19592	2.6
267.21042	2.0
293.22748	2.9
315.69476	1.6
361.28702	3.1
391.33237	2.3
401.32028	17.1
407.01526	1.6
419.33099	40.6
421.31024	2.5
461.34113	8.3
479.16788	2.2
479.35208	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
61.54897	1.5
70.06583	3.5
70.07387	1.7
72.04884	1.6
72.08141	2.8
82.43557	1.6
84.08167	2.2
86.09707	8.2
91.05491	11.5
105.03388	4.0
105.07050	2.5
109.06519	8.4
119.04933	32.7
120.08089	6.8
131.04855	2.0
133.06474	7.2
137.05983	71.9
141.06599	2.1
143.04912	2.9
147.04424	17.2
149.05991	8.8
151.07585	19.7
159.08061	1.7
161.05960	26.4
162.06793	11.1
163.07646	2.5
164.10780	1.9
170.32790	1.6
175.07542	15.1
179.07028	12.8
187.07556	11.0
191.08546	2.4
192.84798	1.8
193.08623	2.6
205.08562	7.1
219.08043	19.7
231.08017	1.8
233.05872	1.9
236.08229	3.1
237.09158	8.2
239.10670	2.9
247.07573	16.0
248.08221	2.2
251.10654	20.0
261.09174	2.6
264.07742	2.7
264.97324	1.6
265.08603	39.1
267.10199	7.2
279.10147	52.8
280.10892	3.2
285.11118	3.1
291.10205	2.4
295.09528	2.2
296.10617	2.0
297.11197	48.9
299.12753	17.2
309.11279	12.1
310.12039	20.3
311.12766	34.9
319.34418	1.9
323.12708	3.4
329.13745	10.8
341.13837	65.7
359.14896	100.0
362.23410	1.8
446.95566	1.7
479.77280	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	480.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
61.54897	1.5
70.06583	3.5
70.07387	1.7
72.04884	1.6
72.08141	2.8
82.43557	1.6
84.08167	2.2
86.09707	8.2
91.05491	11.5
105.03388	4.0
105.07050	2.5
109.06519	8.4
119.04933	32.7
120.08089	6.8
131.04855	2.0
133.06474	7.2
137.05983	71.9
141.06599	2.1
143.04912	2.9
147.04424	17.2
149.05991	8.8
151.07585	19.7
159.08061	1.7
161.05960	26.4
162.06793	11.1
163.07646	2.5
164.10780	1.9
170.32790	1.6
175.07542	15.1
179.07028	12.8
187.07556	11.0
191.08546	2.4
192.84798	1.8
193.08623	2.6
205.08562	7.1
219.08043	19.7
231.08017	1.8
233.05872	1.9
236.08229	3.1
237.09158	8.2
239.10670	2.9
247.07573	16.0
248.08221	2.2
251.10654	20.0
261.09174	2.6
264.07742	2.7
264.97324	1.6
265.08603	39.1
267.10199	7.2
279.10147	52.8
280.10892	3.2
285.11118	3.1
291.10205	2.4
295.09528	2.2
296.10617	2.0
297.11197	48.9
299.12753	17.2
309.11279	12.1
310.12039	20.3
311.12766	34.9
319.34418	1.9
323.12708	3.4
329.13745	10.8
341.13837	65.7
359.14896	100.0
362.23410	1.8
446.95566	1.7
479.77280	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	480.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05047	40.4
60.04522	1.4
72.04521	22.7
83.08646	2.1
83.79659	0.8
93.07037	1.2
100.03992	0.9
103.05475	1.5
110.09700	1.2
111.08089	3.7
114.05539	4.5
117.06618	4.8
118.05022	1.8
118.62135	1.0
120.08107	100.0
128.10657	3.0
131.08168	1.2
135.07660	1.8
138.05545	1.9
138.09151	7.0
139.07553	18.5
154.02209	0.9
156.10199	39.1
157.08636	4.3
166.08630	4.0
174.11252	4.3
175.09666	1.6
176.14098	0.8
177.08698	29.4
225.12367	1.2
227.13913	4.2
240.13962	3.5
255.13361	3.9
258.14905	20.1
273.14438	1.0
275.17545	6.0
276.15906	4.5
279.68814	0.9
297.14417	1.0
302.04202	1.9
303.04459	4.4
303.17032	8.1
304.15616	1.3
315.15482	8.2
317.06607	21.6
318.03268	2.0
318.06924	48.9
321.18222	1.9
374.20779	3.6
402.20270	1.9
405.20108	3.9
416.21695	1.8
420.21255	5.3
434.22873	14.9
462.22284	25.0
480.12003	5.0
480.23288	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	480.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	0.6
55.01879	0.9
55.05497	2.3
55.05738	0.3
57.03444	1.0
57.07076	0.4
60.04539	0.6
61.02930	0.5
67.05495	3.2
69.03432	22.1
69.07057	0.6
70.06583	1.1
71.04980	2.7
72.08161	0.8
73.02919	4.5
77.85599	0.4
79.05505	1.8
81.03413	0.7
81.07060	12.5
84.04523	0.9
84.08128	1.0
85.02917	4.5
86.09697	2.5
91.05453	1.0
93.07043	9.4
95.04987	6.2
95.08604	2.0
97.02868	3.5
97.06536	2.3
105.07024	3.9
107.08592	12.5
109.02865	0.6
109.06524	25.6
109.10165	5.0
112.61251	0.4
112.86002	0.4
115.03925	2.5
120.08125	0.8
121.08412	0.5
123.08070	4.8
123.11697	13.2
126.05519	0.9
127.03886	2.8
127.04800	0.5
129.10176	0.5
133.04968	1.9
133.10132	9.9
138.05508	2.3
143.11798	0.7
145.04971	0.9
151.11182	100.0
168.06546	0.7
269.25409	0.5
318.06763	0.7
365.04263	0.5
426.25220	0.7
480.23999	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	480.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09989	2.3
52.90317	1.8
53.03965	2.2
54.24467	1.9
55.01880	4.6
55.05519	6.1
57.03438	4.4
57.07084	2.6
58.16099	1.9
58.63554	2.3
62.00472	2.2
63.73078	2.0
67.05503	19.9
68.48691	2.3
69.03455	17.0
69.03764	2.2
69.07062	11.9
71.04990	10.0
73.02906	4.7
75.78648	2.5
78.23101	2.5
79.05506	3.7
81.03430	14.0
81.07061	58.0
83.04980	2.8
83.08630	10.8
85.02911	57.9
85.06071	2.2
85.06533	2.8
87.00825	15.8
89.45054	3.1
91.05497	3.4
92.21386	4.1
93.07043	13.1
95.08613	73.9
97.02900	36.0
97.06529	2.8
97.10194	10.3
97.70906	2.5
99.04475	9.4
105.01868	17.6
105.07043	16.0
105.95558	2.7
107.08614	9.5
109.02888	27.0
109.06515	2.6
109.10143	9.8
111.24978	2.4
119.08592	27.1
121.10149	12.3
123.08075	5.8
123.11674	3.4
127.03929	37.2
127.07559	3.6
133.10126	21.7
133.77603	2.6
135.11719	29.8
137.09642	4.7
137.13266	89.2
145.04956	11.3
147.27138	2.5
150.99458	2.8
151.14879	2.6
159.02911	11.5
161.13257	98.5
179.14290	100.0
185.32790	3.3
197.15376	76.6
215.16441	63.3
231.04996	4.8
247.53781	2.5
352.96039	2.8
391.10333	3.7
480.19650	2.8
480.29926	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	480.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08149	1.1
55.05524	1.5
57.07108	1.1
59.69530	1.1
60.08171	12.9
61.34892	1.4
66.02338	1.4
71.07378	1.5
81.07035	1.6
86.09710	34.7
89.37137	1.3
95.08625	1.9
104.10753	82.8
121.10140	1.7
125.00016	17.7
184.07344	100.0
221.64253	1.6
224.71843	1.4
254.60643	1.7
305.95093	1.6
462.29782	5.8
480.30847	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	480.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	13.9
57.03438	2.4
57.07080	3.3
62.06100	30.0
67.05502	10.9
68.18868	2.0
69.07073	23.2
70.52008	1.9
70.66962	1.7
71.08630	2.3
74.65559	1.7
76.34005	2.0
81.07062	20.9
83.08629	17.6
93.07027	3.7
95.08620	20.9
97.10150	11.3
98.98406	6.2
107.08613	3.6
109.10164	9.4
111.11761	1.9
121.10162	8.5
123.11697	2.1
135.11671	2.4
153.05641	2.3
155.01035	4.5
218.31152	2.3
236.60201	2.3
272.43777	2.2
306.03906	2.4
308.29419	19.7
339.28918	100.0
369.77789	2.6
419.25507	4.6
462.29794	27.7
480.30798	41.8
501.99579	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	480.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17096	1.8
55.05516	9.4
55.72725	1.9
57.03440	4.7
57.07070	5.4
60.97566	1.9
62.06100	26.2
66.76839	1.8
67.05512	12.3
69.07072	17.2
71.08633	2.7
72.70830	1.9
78.50965	2.0
79.05511	2.8
81.07063	15.0
83.08636	16.0
83.39516	1.9
92.51212	2.2
93.07047	5.5
94.14239	2.2
95.08617	14.5
97.10172	13.1
98.98510	2.8
107.08615	2.8
109.10177	8.6
111.11738	2.5
111.41386	2.2
121.10133	9.2
135.11716	3.8
155.01047	4.9
168.22646	2.2
205.18474	2.2
265.25378	3.1
308.29446	13.7
333.47134	2.6
339.28946	100.0
369.91989	2.8
419.25555	11.9
439.23535	4.6
462.29739	35.1
480.30624	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	480.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.6
56.05035	6.8
56.42183	0.7
62.39772	0.7
67.05508	3.4
69.07061	1.9
78.05161	0.8
79.05506	1.1
81.07060	3.2
81.61636	0.7
88.93713	0.7
91.05495	0.8
93.07027	0.8
93.64227	0.8
95.08609	13.9
97.10159	8.6
107.08624	1.2
109.10154	6.6
112.11229	0.8
119.08609	1.7
122.09662	1.6
123.08083	4.1
124.11244	1.4
125.09642	1.8
134.09621	0.9
136.11230	3.6
137.09659	3.6
139.12270	2.9
140.10704	78.4
150.09079	0.9
153.13873	4.3
154.12268	100.0
157.13356	41.6
161.13295	0.9
170.11752	0.9
171.15002	0.9
202.32469	0.9
258.18466	5.9
275.21179	8.3
276.19656	6.1
292.23895	4.7
293.22226	52.4
293.25531	1.8
306.20673	3.4
310.24890	9.2
324.21713	4.8
462.33316	9.0
480.34341	43.7
480.41034	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	481.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21667	0.4
50.93874	0.3
51.18197	0.3
53.65390	0.4
70.06590	2.9
72.08144	1.7
84.04526	0.5
84.08150	1.1
86.09717	4.9
91.57676	0.4
93.01856	0.4
102.05551	0.5
120.08107	3.0
127.03949	0.5
129.10280	0.8
136.07582	2.9
169.04800	0.6
175.02045	0.5
178.93044	0.5
188.06871	0.5
217.04842	3.1
226.55052	0.4
232.07037	24.6
233.07870	4.1
265.92453	0.5
271.04224	0.9
301.17261	0.4
311.14636	0.4
338.39288	0.5
386.34976	0.5
395.13211	1.6
437.14243	8.6
468.15820	0.5
481.13147	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17604	0.4
55.57516	0.4
60.05648	1.3
60.75436	0.5
60.91477	0.5
69.03442	0.6
73.43425	0.5
75.60316	0.5
87.07781	0.5
96.81745	0.5
119.44048	0.5
120.08112	0.8
132.04407	0.7
140.08173	0.5
157.65285	0.5
187.08662	0.6
231.07678	4.3
233.13972	4.3
235.33412	0.6
259.11841	14.7
277.12952	100.0
284.11368	4.9
301.14142	2.0
302.12482	48.0
319.11151	0.8
319.12027	0.7
319.15125	49.9
481.20441	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	481.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04533	3.4
71.16338	0.4
73.72294	0.4
81.25536	0.4
81.35943	0.4
86.09705	22.4
87.05596	5.4
90.20105	0.4
97.45963	0.4
103.05477	0.6
104.41460	0.3
120.08099	100.0
128.10716	2.8
134.04439	0.5
173.12846	35.2
200.58426	0.4
201.12326	6.5
281.11304	29.2
303.17047	2.3
307.86285	0.5
324.04218	0.4
348.19040	6.2
481.22372	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	481.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49382	0.4
60.07018	0.3
69.07072	5.6
70.06596	0.9
72.08148	2.2
78.34676	0.4
84.04514	2.8
84.08163	0.9
84.09785	0.4
85.60122	0.4
86.09711	100.0
86.85352	0.5
88.44588	0.4
89.09583	0.4
91.05467	0.5
91.46181	0.4
101.22057	0.4
102.05556	2.5
110.07169	0.7
112.66869	0.5
115.92823	0.4
119.04945	1.0
120.08118	4.5
129.10228	1.6
130.05032	1.0
136.07581	44.3
147.04388	0.6
148.06061	6.7
166.08739	0.7
193.09724	31.8
197.10286	0.5
221.09177	9.0
249.15964	0.7
261.14432	21.3
284.42960	0.5
289.15503	1.7
306.18002	0.6
334.17645	15.8
424.20544	0.7
463.21991	1.0
481.12946	3.3
481.22891	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	481.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66386	0.6
56.05045	19.1
61.52440	0.7
67.05511	0.9
69.07071	1.0
70.06593	4.0
72.04519	12.7
72.08169	1.2
81.07045	1.2
83.08617	5.3
84.04502	0.9
84.08115	1.2
90.42274	0.9
91.05495	4.1
93.07027	1.8
95.08591	1.4
100.04003	3.2
101.05819	0.8
103.05491	1.0
107.04948	0.8
110.09672	3.2
111.08086	6.8
116.43961	0.9
117.06591	10.9
118.05049	6.9
120.08101	100.0
124.07568	1.1
126.79110	0.8
128.10709	4.6
129.57373	0.7
131.04948	1.0
135.07671	4.9
136.07573	15.2
137.06027	3.0
138.09161	2.9
139.07526	12.0
149.05928	0.9
152.07071	5.2
156.10193	32.6
157.08623	2.0
159.11438	1.2
161.05553	4.6
164.07065	26.4
166.08607	4.7
172.09590	0.9
173.32599	0.9
174.11238	6.0
178.08238	4.2
179.07016	1.0
215.10759	1.0
225.12344	0.9
227.13863	4.3
236.61688	0.9
237.12370	3.5
239.60667	0.9
240.14030	1.5
255.13362	5.1
257.14935	1.6
258.14920	19.9
262.32217	1.0
273.14294	1.0
276.15802	4.4
287.13837	4.7
301.87177	0.9
304.15436	2.1
347.15891	1.4
374.20813	3.3
392.21396	1.1
402.20084	1.8
413.17206	1.4
420.21259	37.9
431.18320	2.8
435.22357	1.5
438.16525	1.3
438.22363	23.4
463.21692	6.0
463.27881	2.0
481.22876	8.1
481.29477	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	481.302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.5
55.05511	0.9
56.05031	1.1
67.05503	4.1
69.07070	4.9
72.04517	3.4
74.02437	1.0
74.06092	1.0
76.05111	1.0
79.05502	1.9
80.05033	0.8
81.07066	3.0
83.08604	1.7
86.43036	0.7
91.05480	1.1
93.07064	1.7
95.08611	2.9
97.06516	3.0
105.07058	1.2
107.08607	3.7
109.06457	1.8
109.10186	3.6
109.73814	0.7
110.07169	14.0
113.00022	3.9
118.04980	1.2
121.06435	0.7
121.10129	1.2
123.07961	1.2
126.06647	0.9
135.08029	1.5
136.05083	5.0
136.08711	1.1
137.09644	1.0
138.06636	6.2
146.07118	1.2
148.08672	1.1
149.09541	1.2
151.11163	0.9
154.06140	3.1
159.11662	0.9
169.02638	1.5
178.13438	5.8
178.73888	0.8
188.11884	4.2
191.11847	4.8
206.12892	28.1
206.16658	1.3
216.14981	1.5
219.14960	1.0
226.18141	2.5
234.16000	5.9
252.15967	0.8
260.13861	0.9
262.15494	1.8
266.18695	1.6
269.17587	1.8
272.17551	1.4
272.20578	0.8
284.19720	4.6
294.18155	3.2
294.24380	1.6
304.20151	5.8
316.20169	1.8
322.23779	0.9
330.21777	3.5
347.23331	8.5
352.25864	0.9
362.24377	4.9
363.15692	1.1
380.25430	1.8
463.29080	4.5
464.27444	1.2
481.30228	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68560	1.9
55.05524	3.2
57.27232	1.8
67.05529	8.6
69.03439	2.5
69.07075	4.0
71.80555	2.4
77.85675	2.5
79.05487	4.6
81.07079	17.4
85.02870	2.8
91.05489	4.4
93.07053	12.9
95.08611	25.5
102.62183	2.3
105.07043	12.4
107.08604	21.2
109.06498	2.8
109.10179	25.1
111.08080	3.3
119.08601	22.9
121.10117	17.6
123.11663	2.5
125.09618	3.7
128.42195	2.3
131.08589	12.9
133.10132	27.8
135.11714	13.8
143.08585	4.5
145.10149	28.6
147.11696	15.1
148.55946	2.7
149.13246	4.7
149.20764	2.3
155.08577	3.8
157.10130	12.7
159.07962	2.8
159.09360	2.5
159.11702	15.3
161.09663	2.6
161.13249	10.1
169.10159	3.0
170.11841	2.9
171.11642	5.6
173.13261	5.9
175.14870	5.0
183.11734	3.8
185.13307	9.6
187.14806	13.6
189.16354	3.3
197.13275	4.8
199.14825	10.8
213.16347	10.2
222.61584	3.1
223.14798	5.3
225.16505	3.2
237.16389	4.7
239.17950	5.1
251.17873	3.7
253.19441	4.7
294.24289	5.0
321.25711	15.6
345.25644	4.6
363.26877	11.0
403.29919	3.7
421.30975	50.0
481.33112	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49094	1.4
54.28543	1.3
67.05491	1.9
69.03437	2.4
69.07059	7.2
79.05508	1.8
79.34928	1.4
81.07053	10.4
83.04961	1.5
85.10927	1.6
92.94128	1.4
93.07061	13.8
95.08599	22.4
97.10153	2.0
105.07039	8.1
107.08598	14.5
108.41666	1.7
109.06528	2.9
109.10166	12.2
111.08092	2.2
113.18781	1.6
117.07037	2.0
118.03425	1.5
119.08555	15.3
121.10141	14.0
125.09628	3.6
128.10907	1.5
131.08611	5.3
133.10072	11.7
135.08061	2.3
135.11710	8.2
145.10117	16.3
147.11682	7.6
157.10071	3.3
159.11697	10.0
161.13261	6.6
163.11171	1.9
167.10649	2.7
169.10080	6.2
170.11765	7.2
171.11670	8.9
173.13261	3.3
181.12225	3.4
183.11670	6.9
185.13249	7.6
187.14850	9.0
197.13251	3.5
199.14845	6.2
201.16364	1.9
209.13252	3.9
211.14825	3.4
213.16364	6.3
221.13199	2.7
223.14880	6.2
225.16278	3.1
227.18047	3.9
237.16263	2.1
239.18040	2.2
249.16200	1.8
251.17975	3.9
252.18550	2.0
253.19525	10.2
263.18011	2.3
265.19504	2.5
267.21021	2.2
281.77359	2.0
294.24286	3.1
309.29852	1.8
319.24231	2.6
321.25650	3.0
345.25723	4.0
363.26807	12.1
403.30014	2.2
421.25684	2.9
421.30975	60.8
481.33087	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
69.38303	0.7
70.71175	0.7
71.18493	0.7
71.18921	0.6
108.06524	0.7
115.14784	0.6
131.31839	0.8
142.42656	0.7
156.62350	0.7
173.91034	0.8
218.96358	1.0
329.24524	3.6
336.66760	1.0
355.67780	0.9
481.36533	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72339	2.9
56.23441	2.8
68.19745	3.7
70.49583	2.9
79.71947	3.1
85.81915	3.7
88.01334	3.6
95.08585	3.4
98.56396	3.3
106.53922	3.5
122.21808	3.8
168.09470	3.8
245.78427	3.8
296.28644	4.1
321.27432	3.6
419.09964	3.9
481.36465	100.0
492.15408	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	481.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82773	0.5
67.55022	0.7
85.55605	0.6
120.06169	0.7
121.56270	0.7
121.73738	0.6
191.10446	3.6
247.70248	0.8
316.24899	0.7
438.71094	0.7
481.36578	100.0
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
52.41852	1.0
56.85372	0.8
61.45219	0.8
64.09466	0.7
89.18984	0.9
191.10403	1.8
205.22725	1.0
327.47653	1.1
387.75327	1.0
481.36606	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	8.3
55.89396	1.5
57.01126	1.7
57.07089	10.0
59.96453	1.9
60.26626	1.6
61.36579	1.8
63.65453	1.7
67.05518	21.6
69.07074	27.3
71.08625	1.9
79.05517	4.6
81.07066	33.6
81.46329	1.9
83.08637	12.8
85.06562	2.8
85.46079	2.0
91.05510	8.3
93.07046	22.4
95.05007	3.9
95.08602	39.1
95.09113	2.3
97.06581	2.3
97.10202	9.3
105.07052	14.5
107.08580	31.6
109.06536	3.4
109.10165	70.1
111.11747	3.3
117.07082	3.0
119.08595	30.8
121.10147	36.4
123.08047	4.3
123.11759	4.7
125.09657	2.3
131.08638	12.2
133.10115	22.1
135.08104	13.6
135.11714	20.9
143.08636	2.9
145.10107	22.4
147.11668	24.1
149.09613	2.4
149.13319	12.1
151.11232	2.8
157.10197	8.5
159.11697	22.0
161.13336	13.0
163.11241	3.8
169.10136	3.9
170.11815	4.7
171.11771	12.0
173.13316	12.6
175.14902	10.2
179.14380	12.7
183.11778	4.1
185.13344	9.6
187.14803	15.8
189.16440	4.4
197.13457	3.7
199.11066	2.2
199.14952	9.6
201.16359	13.8
209.13409	3.6
211.14867	3.0
213.16444	4.0
215.18102	7.6
219.17537	4.2
227.18077	11.6
237.16493	3.3
239.18105	3.9
243.21428	2.0
251.18143	2.7
255.17244	2.5
259.20789	2.4
265.19464	2.6
267.30652	2.4
277.21741	17.6
278.61542	2.2
283.24451	3.1
294.24268	29.2
391.48444	2.2
393.35110	23.8
403.33618	24.2
419.87289	2.2
421.34857	25.9
439.36459	2.9
481.36981	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68722	0.7
51.04945	0.8
55.05516	4.0
55.46857	0.9
56.63773	0.9
58.39680	1.0
60.30434	0.8
66.55364	0.9
67.05177	1.4
67.05510	22.8
68.66924	0.9
69.07064	9.8
79.05507	4.4
81.07066	17.9
83.05002	1.3
83.08622	5.2
91.05496	1.9
93.07044	6.5
95.08617	21.7
105.07032	10.3
107.08596	16.9
109.10158	100.0
114.32239	1.0
117.07027	1.6
119.08589	17.6
121.10149	15.1
123.11695	7.3
131.08578	5.9
133.10109	9.9
135.11674	9.1
143.08560	1.2
144.20992	0.9
145.10112	15.6
147.11688	13.2
149.13235	5.6
151.11096	1.2
157.10127	6.1
159.11684	15.3
161.13274	14.2
163.11182	1.3
163.14781	1.9
171.11642	5.0
173.13197	10.4
175.14824	10.1
177.16405	2.1
183.11656	1.5
185.13271	5.3
187.14799	8.9
189.16431	4.0
199.14809	5.8
201.16359	14.0
203.17975	5.5
211.14731	1.3
213.16415	4.2
215.17960	4.8
217.19534	1.5
219.17433	1.5
225.16411	1.6
227.17891	1.7
229.19547	1.4
239.17982	1.5
255.21098	1.9
356.50632	1.4
365.27625	1.2
393.35062	1.4
403.33542	8.4
421.34543	25.9
423.32611	1.3
463.35666	4.1
481.36722	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	481.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19730	3.0
51.20377	2.2
57.54221	2.8
67.05505	19.3
69.07081	5.7
74.40295	2.6
75.55555	3.1
81.07050	28.8
83.08608	5.4
93.07038	7.2
95.08620	32.2
105.07036	6.4
106.45035	2.9
107.08607	25.0
109.10156	100.0
119.08590	27.4
121.10123	14.1
123.11691	5.8
128.85254	3.3
131.08556	4.5
133.10167	14.8
135.11661	12.9
145.10149	17.8
147.11702	14.1
149.13214	5.4
157.10211	4.2
159.11705	21.0
161.13242	28.2
163.14740	4.8
170.54532	3.0
171.11621	12.6
173.13274	17.8
175.14847	16.8
177.10938	3.1
178.75995	4.6
185.13274	5.4
187.14754	7.0
189.16351	3.1
199.14838	5.6
201.16417	18.9
215.17934	3.6
221.79828	3.3
224.52623	3.4
368.68820	3.4
403.33569	15.0
421.34561	28.7
463.35049	6.2
481.36893	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	481.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95630	1.7
56.73938	2.0
59.27327	2.5
63.19384	2.6
67.05515	21.4
69.07060	5.8
76.43835	2.7
79.05499	2.7
81.07067	18.8
93.07053	4.6
95.08605	19.6
105.07027	5.3
107.08595	13.5
109.10158	100.0
116.05872	2.4
119.08565	20.3
121.10139	14.2
123.11774	4.5
131.08594	4.9
131.85399	2.5
133.10188	3.9
135.11742	6.1
145.10126	16.0
147.11705	17.4
159.11679	16.2
161.13232	16.4
173.13257	15.3
175.14838	9.9
177.16347	3.5
183.11751	3.1
185.13258	9.1
187.14821	10.5
197.13283	3.1
201.16428	15.0
241.19582	4.0
253.19354	3.0
258.18484	3.0
293.81897	2.7
318.92014	2.8
325.82977	2.8
356.26013	2.8
403.33655	5.2
421.34604	22.2
463.35666	5.8
481.36710	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	481.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49693	0.9
55.05536	3.3
57.07083	1.8
58.83213	0.8
67.05513	5.1
69.07066	10.4
71.08601	1.0
79.05494	1.9
81.07054	11.8
83.08633	5.9
92.21056	1.0
93.07041	6.3
95.08607	10.2
96.24292	1.0
97.06551	1.9
97.10178	5.0
105.07023	1.4
107.08591	7.3
109.06544	1.3
109.10171	8.5
111.11728	2.4
119.08578	2.4
121.10146	23.0
123.11697	4.4
126.54517	1.1
131.08562	2.5
133.10164	2.5
135.11685	2.4
138.02759	1.1
138.12781	6.3
139.11160	13.7
147.11678	2.6
149.09605	6.2
156.13864	9.2
159.11736	1.2
161.13257	1.8
166.12350	4.6
169.84296	1.1
184.13319	100.0
185.11607	1.2
202.14380	29.4
245.22551	1.5
263.23590	2.5
280.26349	13.2
403.33575	2.7
421.34491	2.2
481.37057	9.1
481.42999	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	482.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61506	1.8
60.51852	1.8
69.03431	3.3
70.06589	7.7
70.89488	1.7
72.08160	3.3
81.03417	4.8
84.04501	3.6
84.08150	4.3
85.02924	9.6
86.09711	2.9
91.05481	3.6
97.02851	2.3
99.04464	2.4
106.02930	40.1
107.04963	2.7
109.02864	9.9
110.07193	2.2
119.04934	21.0
120.08111	2.7
124.03959	52.7
127.03906	4.2
136.07578	3.6
137.05986	100.0
147.04408	82.8
167.07008	2.9
179.07011	36.6
185.09291	2.1
197.08084	2.5
250.07135	8.9
268.08173	29.1
434.14462	57.1
464.15421	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	482.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62973	0.5
53.03967	0.6
57.03436	3.1
66.25513	0.6
67.62762	0.5
69.03433	0.7
71.04640	0.8
71.04996	12.7
73.02932	4.7
79.14563	0.6
80.05003	0.6
81.46864	0.6
83.04984	6.4
83.60141	0.5
84.04514	6.6
85.02432	1.0
85.02909	15.8
87.34373	0.6
96.04474	5.7
97.02869	2.2
98.06066	3.7
99.04479	0.7
109.02899	0.7
111.04443	2.5
126.05507	24.9
129.05479	3.2
138.05507	100.0
144.06561	12.9
144.07637	0.7
150.03487	0.6
157.25656	0.7
168.05128	0.9
168.06554	23.9
186.07628	14.8
204.08672	41.1
219.16591	0.6
314.12338	2.4
336.12933	5.1
350.14560	4.9
352.15448	0.9
391.79666	0.7
482.18201	5.1
482.28928	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	482.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.0
60.08968	0.8
66.22113	0.7
67.05485	1.0
69.03414	0.8
71.05002	3.5
73.02959	1.0
73.76030	0.8
83.05000	1.6
84.04513	1.4
85.02920	7.4
87.99055	0.8
97.02893	1.2
98.06042	1.0
100.65571	0.9
114.09189	1.4
121.06499	0.9
123.04432	100.0
126.05503	4.3
127.03889	1.0
133.06517	4.2
138.05502	25.9
144.06532	3.4
147.04424	1.3
149.05998	3.9
161.05971	10.8
165.05455	1.1
167.07033	93.5
168.06509	6.9
181.08601	5.6
186.07596	1.1
193.08580	7.7
198.95135	1.1
204.08655	11.8
303.12247	38.8
305.66351	1.2
317.33783	1.0
429.15570	1.0
482.19016	1.3
482.30060	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	482.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68041	0.5
64.04549	0.6
85.02896	1.8
89.24635	0.8
95.04974	1.1
97.02888	1.0
119.90460	0.7
123.04420	100.0
133.06493	6.6
145.05017	0.9
147.04359	1.2
149.05968	3.8
161.05960	9.6
165.05469	1.1
167.07021	91.7
181.08548	5.5
189.05411	1.6
193.08626	8.4
259.34863	0.9
303.12253	38.7
340.51147	0.9
362.03867	0.7
369.13583	1.0
429.15305	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	482.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.9
59.32040	0.7
59.50662	0.9
59.81812	0.8
61.02938	1.3
67.05515	6.3
69.03451	1.1
69.07063	6.6
71.04961	0.9
79.05479	1.1
81.07061	23.7
82.41028	0.9
83.04977	2.3
83.08628	4.5
85.02902	7.8
85.06557	1.1
91.05486	8.2
93.07039	2.0
94.20484	0.9
95.04968	1.1
95.08609	5.5
96.19885	1.0
96.47015	0.8
97.02888	1.5
97.06514	1.5
99.08089	1.7
100.74188	0.9
101.06036	0.9
105.07037	10.3
107.08601	7.5
109.06479	0.8
109.10176	1.1
115.07582	1.1
119.08586	9.1
120.87976	0.8
121.10119	12.5
123.04426	64.2
123.08054	1.5
123.11691	20.3
127.03886	0.9
127.07549	3.7
131.08672	0.9
133.06464	1.6
133.10150	1.6
137.13297	3.9
141.06976	1.7
142.01959	1.0
145.04913	1.1
147.04434	1.1
147.11694	63.5
149.06010	1.4
161.05910	3.8
165.05547	1.0
165.12732	31.2
167.07027	67.6
175.11160	1.5
181.08621	3.5
183.13866	1.6
188.87971	1.0
190.24348	0.9
193.08501	1.5
193.12344	1.4
200.15138	1.0
204.61374	1.1
229.14313	5.2
267.15918	41.9
279.46365	1.2
285.16974	100.0
303.12268	19.6
303.18027	3.6
436.17059	1.0
447.22476	1.3
448.13568	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	482.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20756	0.6
54.63517	0.8
55.05521	0.8
57.03443	1.9
61.02946	1.1
65.41259	0.7
67.05498	5.8
69.07063	4.7
72.35030	0.7
73.02917	0.8
79.05523	1.3
81.06607	1.4
81.07064	24.5
83.04973	0.8
83.08630	4.4
85.02911	1.8
85.06548	1.5
91.05485	5.6
91.66696	0.7
93.07027	4.0
95.08619	5.7
97.06533	3.3
99.08094	1.5
105.07047	11.2
107.08596	5.9
109.06561	1.7
119.08570	11.1
121.10126	10.5
123.04456	9.6
123.08087	0.8
123.11716	20.2
127.03899	1.5
127.07550	2.0
133.10207	0.9
134.40732	0.8
137.13281	1.7
141.06984	4.3
147.11688	64.4
147.23740	0.8
157.10178	1.4
165.11342	1.2
165.12740	32.7
167.07065	9.5
175.11142	1.6
183.13844	1.6
229.14330	3.5
239.26260	0.9
267.15915	47.5
280.35834	0.9
285.16968	100.0
303.12341	3.7
303.17975	4.6
373.18488	1.1
445.79300	1.0
447.22028	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	482.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01906	3.1
55.05505	4.2
57.03435	13.5
61.02924	5.3
69.03435	43.1
69.07056	4.3
70.00441	3.0
70.06593	15.3
71.04996	3.5
72.08143	3.0
73.02920	58.1
75.88416	2.9
79.05517	11.2
81.03423	8.0
81.07061	6.5
84.08125	3.5
85.02429	5.3
85.02910	98.4
86.09706	33.7
87.04422	5.7
87.10051	4.8
91.05466	6.2
93.07053	82.4
95.08624	30.2
95.55884	3.2
97.02897	78.4
97.06519	6.4
99.04480	8.5
105.07061	4.8
107.08606	100.0
109.02879	5.3
109.06507	5.0
109.10194	5.2
110.07153	5.2
111.04477	3.9
115.03916	40.5
119.08582	6.5
120.08125	14.4
121.08440	5.6
127.03918	39.8
130.06583	4.0
133.04985	29.0
135.11711	76.4
137.80005	3.6
145.04970	41.0
145.10107	5.7
153.12773	26.5
163.06015	14.7
173.07990	3.7
200.08910	3.5
206.01808	3.3
213.12427	4.0
236.11072	3.6
238.16028	8.0
241.07082	4.7
259.08072	15.5
263.10251	4.4
267.15970	4.6
277.09103	6.0
285.16965	7.4
295.10278	34.3
308.11060	3.6
315.18015	22.8
318.39822	3.9
354.42639	3.6
481.19339	3.9
485.69879	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	482.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	0.9
60.08173	9.4
71.07364	1.1
71.08605	1.0
75.51967	0.6
85.10213	0.9
86.09707	34.8
95.08590	0.9
104.10744	83.0
115.76199	0.6
124.99994	16.7
159.43283	0.7
163.01515	1.3
184.07332	100.0
213.41393	0.9
239.29045	0.8
258.80850	0.8
265.52496	0.7
299.25900	1.5
316.62244	0.7
330.80066	0.7
464.31235	5.1
482.32382	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	482.324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25750	1.4
54.01974	1.3
55.05504	1.5
56.50022	1.2
57.03437	3.5
57.07087	39.7
59.38470	1.6
59.38769	1.6
61.15075	1.3
62.06095	24.7
67.05499	2.6
69.07072	6.4
70.99728	1.7
71.08270	2.8
71.08633	33.6
81.07043	7.6
83.08630	9.6
85.10197	21.3
89.06036	16.8
89.55618	2.0
95.08607	12.1
97.10174	4.0
98.98457	2.9
99.11768	1.9
99.94727	1.8
109.10163	7.4
111.11766	2.1
115.46119	1.6
123.11806	1.9
133.08582	3.4
155.01039	7.6
175.75133	1.8
216.06218	2.3
310.31082	18.9
321.05978	1.9
341.30521	100.0
366.37677	1.9
421.27084	8.0
464.31393	29.2
465.37921	18.8
474.01501	2.0
482.32294	28.2
482.41125	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	482.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51654	1.2
57.07075	3.0
65.97091	1.3
71.08630	2.7
72.26727	1.5
81.07072	1.7
87.04476	1.8
89.06031	100.0
94.54635	1.6
133.08611	33.2
177.11183	7.9
237.31946	1.5
239.35686	1.6
283.17523	77.3
331.16260	1.5
333.47647	1.4
351.27032	1.5
465.37973	13.1
482.40115	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	483.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80288	0.9
52.06502	0.9
74.46281	1.0
81.07098	1.0
90.90557	1.1
95.08629	1.2
97.17095	0.9
105.07032	0.9
115.60395	1.0
116.08180	1.1
138.05516	4.7
139.05814	1.7
148.59369	1.0
149.02353	26.5
168.06549	1.3
193.04962	100.0
199.42984	1.1
233.04274	1.8
237.07561	25.0
252.79430	1.3
267.17526	1.0
277.06848	7.1
301.22726	1.1
307.22382	1.0
425.08762	1.2
451.29019	1.1
483.12613	89.2
483.31699	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	483.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65546	0.6
59.36561	0.6
70.06581	3.0
72.08157	0.9
76.30340	0.7
81.07081	0.7
84.08147	1.5
86.09710	1.8
120.08081	1.0
128.27136	0.8
131.04910	3.3
136.07492	1.1
227.25711	0.7
234.08623	19.5
235.06021	1.1
235.09473	9.0
240.65167	0.8
296.27542	0.8
366.40921	0.8
397.14673	3.6
439.15741	9.8
483.14746	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39200	0.4
53.03948	0.4
55.82044	0.3
57.03437	0.5
58.96080	0.3
65.03942	0.9
69.03429	2.1
71.65681	0.3
78.17343	0.4
81.03427	4.9
85.02899	3.4
87.00852	1.0
91.05479	100.0
97.02887	1.7
99.04463	2.9
103.03955	0.9
105.07041	2.5
109.02883	5.6
109.88926	0.4
123.04433	2.1
127.03896	7.5
129.06990	0.5
133.06494	1.0
143.08574	0.6
161.06006	0.6
167.06993	3.4
171.08047	0.4
175.07544	0.7
187.06042	0.6
193.08679	0.5
199.07600	1.9
200.90739	0.5
213.03957	0.7
217.08620	1.8
231.05054	0.8
238.82089	0.4
268.63461	0.4
321.09998	0.5
321.13412	1.7
357.08252	0.5
380.28900	0.5
381.11887	1.9
447.12885	0.5
465.13989	0.8
483.15482	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	483.1624
Annotation	HoPhe-Nap-OH
Peak:m/z	Relative Intensity
57.16549	1.1
62.24643	1.4
70.06579	2.6
84.08150	2.1
85.02909	1.5
97.02860	1.3
102.55499	1.4
104.62624	1.0
120.08095	2.0
137.05988	3.0
147.04387	8.2
166.08644	1.7
251.34760	1.2
267.11160	1.7
273.66379	1.3
285.12286	1.5
296.94940	1.6
303.13510	1.6
310.48264	1.3
321.11142	1.6
321.14539	1.4
429.17651	1.6
483.16229	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.186
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03417	1.3
72.53824	0.9
74.60960	0.7
81.03448	0.9
85.02915	7.8
91.05483	11.9
95.04978	0.9
97.02877	1.6
99.04482	1.6
105.07022	1.4
107.04957	5.5
109.02924	1.8
111.04416	1.3
111.08079	0.8
117.96862	0.7
119.30470	0.8
121.06517	6.0
123.04430	65.2
125.05991	4.4
126.74510	0.7
127.03918	5.4
133.06488	17.0
135.08028	1.2
139.07562	4.2
145.10103	0.7
149.05992	13.0
151.07634	1.3
161.05980	27.4
167.07031	100.0
179.07076	4.1
191.06996	3.4
193.08598	21.6
197.08124	1.4
224.16684	0.8
303.12231	9.2
321.13327	58.9
407.67065	0.8
483.17896	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	483.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
61.92727	1.2
67.51272	1.1
72.21523	1.0
74.09361	1.0
81.07069	5.4
83.80196	1.1
91.05482	8.4
93.07053	2.4
103.05488	1.8
107.04950	2.5
109.06525	18.9
119.04922	6.4
120.08102	100.0
120.56882	1.2
133.10159	1.4
136.07579	97.7
137.05977	45.3
138.06256	1.2
141.82870	1.1
147.04385	2.1
154.92873	1.2
165.05431	5.3
166.08662	4.6
182.08128	2.3
228.13803	1.5
231.23959	1.2
244.13338	1.5
256.13348	6.6
272.12747	5.7
274.14368	6.9
290.13879	11.0
302.13950	7.6
318.13403	7.9
437.20663	27.0
465.20145	7.9
465.26413	1.4
483.21460	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	483.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08138	0.5
74.15588	0.4
116.75693	0.4
118.06583	1.7
130.06554	0.9
132.08055	1.8
144.08089	5.0
146.06015	37.0
159.09172	5.3
170.05983	1.9
188.07072	100.0
205.09726	32.1
227.01305	0.5
287.52277	0.5
292.41052	0.5
344.23068	0.6
355.61148	0.5
359.49597	0.6
392.18314	0.7
402.78528	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51217	0.6
53.00316	0.9
55.05533	0.8
57.27058	0.5
67.05493	1.3
69.03416	1.0
71.04981	5.6
79.05464	0.8
81.07050	3.1
83.05013	1.0
83.08619	1.1
84.58122	0.6
85.06529	0.9
91.05466	1.1
93.07038	3.1
95.04966	0.7
95.08604	3.8
99.08112	0.8
101.00551	0.7
101.80358	0.6
102.15587	0.6
105.06960	1.9
107.08572	6.0
109.06560	1.2
109.10136	1.5
111.08064	1.2
119.08578	7.8
119.23235	0.6
121.10124	5.0
122.50219	0.8
123.08074	13.8
125.09632	3.0
127.41066	0.6
128.87183	0.7
129.06955	0.9
133.10136	3.7
135.08054	1.3
135.11713	0.8
137.09607	2.9
139.07533	4.2
143.08522	1.0
145.10104	3.2
147.08044	2.8
147.11687	1.6
149.09605	3.6
151.11183	1.5
157.10139	3.6
159.11694	5.5
161.09647	3.1
161.13271	1.4
163.11192	1.6
165.09093	3.2
169.10170	1.0
171.11639	4.6
173.09630	1.1
175.11168	4.0
175.14787	0.7
177.12711	3.1
179.10670	13.8
185.13284	1.0
187.11169	1.1
195.11655	1.3
197.13258	1.5
199.11200	1.1
199.14835	1.0
201.12704	1.2
211.14749	1.3
213.12823	1.0
217.12216	3.3
225.16183	0.8
229.12250	0.7
229.15881	4.1
247.16963	1.2
259.05545	0.7
260.19534	0.7
277.21521	2.9
285.18478	0.9
294.24301	1.3
295.20343	0.7
379.26569	1.4
393.24188	7.8
447.28723	3.4
465.29977	100.0
483.31039	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	483.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03755	1.5
61.63015	1.7
66.16036	1.5
67.05505	4.2
69.07053	2.6
79.05512	3.4
79.49385	1.7
81.07073	20.7
86.09694	2.0
87.90730	1.8
91.05479	3.0
93.07053	15.8
95.08615	37.5
105.07053	17.5
107.08596	25.8
109.06509	3.4
109.10177	17.4
111.08083	9.2
117.06984	1.9
119.08572	26.7
121.06522	3.1
121.10149	27.4
123.11723	11.8
127.04007	1.9
131.08588	7.8
133.10138	23.8
135.08093	7.7
135.11703	9.6
143.08609	2.5
145.10127	21.1
147.04417	2.8
147.11720	22.1
149.09561	3.2
149.13274	12.1
151.07520	2.3
151.11119	2.0
157.10178	8.6
159.08022	2.2
159.11679	18.5
161.06017	11.0
161.09647	2.8
161.13232	16.4
163.14836	3.6
171.08070	1.9
171.11720	9.8
173.09615	8.7
173.13208	21.9
175.07532	3.5
175.11215	4.3
175.14838	9.0
177.12762	2.0
177.16415	8.8
183.11734	7.7
185.09628	7.6
185.13286	8.4
187.07579	2.9
187.11201	7.9
187.14836	9.4
189.09093	3.5
189.12784	3.8
189.16411	10.7
194.09624	1.9
197.09502	2.0
197.13307	4.1
199.07498	2.1
199.11192	11.9
199.14867	3.9
201.09148	9.9
201.12811	3.9
201.16451	10.7
203.17781	2.3
205.15903	3.7
209.13335	2.3
211.14749	2.9
213.09180	4.2
213.12825	3.9
215.10602	17.7
215.14243	3.6
217.12204	7.4
225.09137	12.3
225.12695	2.3
227.10666	4.1
229.12297	3.3
231.13664	2.8
232.89632	1.9
233.11673	2.6
241.12263	3.2
243.13911	4.2
261.11246	3.4
261.14810	2.4
281.15378	2.6
283.16827	2.6
295.16971	3.3
381.24463	2.6
389.24551	2.5
401.28717	2.8
407.25952	7.1
417.28098	3.6
425.26883	2.3
432.97269	1.9
435.29083	9.5
437.30652	14.3
447.28952	22.6
453.29974	10.2
465.30011	50.8
483.31088	100.0
483.38007	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	483.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69392	1.2
67.05495	2.4
69.03436	2.3
81.07060	7.4
83.08672	1.6
93.07041	8.3
95.08583	13.6
105.07043	9.9
107.08580	11.2
109.06516	2.2
109.10146	6.4
119.08571	11.3
121.10130	7.9
131.08578	6.0
133.10149	10.2
135.11694	8.1
143.08597	2.6
145.10077	11.4
147.11684	13.1
149.13275	2.5
157.10127	9.4
159.11678	13.6
161.09613	9.3
161.13246	6.5
169.10123	1.6
169.89638	1.3
171.11697	7.6
173.09650	2.1
173.13242	12.9
175.11217	2.5
175.14803	3.1
183.11717	2.3
185.09758	1.3
185.13280	7.2
187.11159	6.0
187.14821	10.1
189.09108	7.9
189.16272	2.1
197.13249	6.2
199.11229	5.3
199.14815	8.3
201.09073	1.5
201.12700	6.8
203.10652	7.1
205.15842	1.7
207.10158	2.4
211.11325	1.6
211.14758	1.6
213.16379	2.0
214.95798	1.5
215.10666	8.4
215.14319	2.8
217.12227	6.8
217.15837	1.9
221.11662	2.9
225.16371	3.0
229.12234	3.3
233.11732	9.5
237.16248	2.1
239.14522	1.7
239.17798	1.8
243.13750	14.6
261.14758	7.3
267.17523	1.6
271.13232	1.5
281.43298	1.5
295.16959	6.7
313.18011	6.5
419.29337	2.2
435.29144	1.7
447.29123	10.1
465.29935	17.4
483.21939	19.2
483.30905	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	483.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.5
56.05038	3.6
62.40233	0.8
65.10797	0.7
67.05513	2.0
71.08627	5.2
72.04501	3.6
74.06086	1.0
81.07041	1.9
83.08635	0.8
91.05531	0.8
93.07018	1.1
94.06578	1.2
95.08593	3.2
96.05599	0.9
96.08190	0.8
99.08083	1.6
100.36842	0.8
107.08586	1.2
109.10142	3.7
110.07172	22.5
111.07981	1.2
116.08193	1.0
119.08578	1.3
122.07125	1.3
123.07955	2.1
124.08701	1.2
133.10150	1.3
135.11723	1.4
136.08727	1.5
149.09569	1.5
154.12256	1.7
163.11079	1.1
180.14989	5.0
182.50760	0.9
193.13371	3.9
206.16519	2.1
207.15001	0.9
208.14449	41.6
208.17847	1.0
209.18439	1.2
218.16486	1.6
219.14862	2.0
224.16483	1.3
226.18024	5.3
234.16028	11.0
266.18649	4.0
284.19724	8.6
294.18466	1.2
299.21173	1.6
304.20227	1.7
304.23773	2.1
314.22235	1.4
314.91913	0.9
317.22324	1.4
332.23260	4.3
349.24890	15.2
364.25912	4.8
364.31140	1.0
382.26953	1.4
385.24377	1.4
465.30640	3.7
483.31726	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	3.7
57.07079	32.6
67.05518	13.7
68.89584	2.2
69.07058	4.2
69.55660	1.8
69.59238	1.9
71.08672	1.7
79.05487	2.6
81.07053	13.0
83.08627	4.3
85.10191	2.1
91.05445	2.2
93.07031	4.7
95.04967	9.5
95.08608	13.1
97.06530	3.2
97.10137	2.7
105.07042	1.9
107.08569	10.3
109.10131	13.6
119.08568	2.4
121.10091	2.5
125.09615	3.4
125.39670	2.2
127.11195	21.1
133.10089	8.7
135.08070	3.6
147.11726	3.7
151.11191	11.6
165.12746	13.4
168.13797	3.7
169.12273	3.8
170.11714	3.7
173.13277	2.4
179.14307	76.8
277.21619	48.4
279.23318	3.2
282.46719	1.9
294.24255	100.0
296.25943	20.1
312.25385	3.5
473.91632	2.6
483.38242	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	483.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
84.41872	2.5
199.39998	3.4
212.23727	5.2
230.24866	10.9
460.43259	3.8
465.44199	22.4
483.38123	100.0
483.44913	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	484.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	5.9
53.38148	1.1
53.66159	1.2
53.74684	1.2
55.01874	1.5
55.19290	1.2
56.50296	1.2
57.03433	5.9
59.04988	1.3
61.02929	1.9
69.03436	14.4
70.80605	1.3
71.05006	2.0
73.02916	13.9
77.63338	1.4
79.05485	10.5
80.76503	1.3
81.03421	16.7
81.07061	77.0
84.91736	1.2
85.02901	42.1
86.50813	1.2
87.00822	8.2
87.04483	1.6
97.02888	32.4
99.04457	18.6
103.03948	7.8
105.01893	10.0
109.02879	48.8
109.05767	3.4
109.06518	100.0
115.03905	6.0
120.21413	1.3
127.03918	57.8
127.07552	1.9
129.01825	3.4
133.04979	9.5
133.06432	1.5
145.04947	17.3
146.74541	1.5
147.02875	3.5
152.06944	1.9
155.10657	35.2
159.02867	11.3
159.08032	1.5
163.06046	5.3
173.07973	1.7
177.08966	1.6
213.03947	7.6
231.04993	13.3
241.10707	2.0
249.06021	2.5
251.12718	3.4
259.08099	5.5
271.11813	2.1
291.07047	2.7
295.10333	11.7
307.08249	2.4
317.16177	1.5
322.10745	19.8
375.09256	6.9
393.10162	17.5
449.16443	2.8
484.15475	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	484.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61913	1.3
53.03950	9.0
55.01867	1.4
57.07058	1.4
57.18393	1.5
59.64594	1.4
68.49630	1.6
69.03436	17.7
69.07059	2.0
70.06590	3.1
71.04988	3.0
73.02918	8.6
79.31739	1.8
81.03423	35.7
84.08140	2.5
85.02910	59.8
86.09724	3.0
87.00836	18.2
87.04442	2.0
89.11255	1.5
92.21033	2.3
93.07028	1.8
93.12865	2.0
95.08596	3.8
97.02898	37.7
99.04465	25.1
103.03928	11.7
105.01890	22.2
107.08593	2.6
109.02883	90.2
110.07146	2.1
114.09186	10.5
123.08014	2.2
123.14628	2.0
127.03916	100.0
129.01836	8.1
129.10197	2.0
145.04980	18.4
147.02902	3.8
155.10803	2.0
159.02898	14.9
163.06026	2.8
166.07213	4.0
167.48050	2.2
168.38564	1.9
208.09647	2.9
209.16542	8.7
213.03918	14.6
226.19127	6.6
231.05045	25.1
248.14471	2.0
249.06052	11.8
273.05957	1.9
287.67709	2.1
291.07153	9.7
297.33093	1.9
322.24857	10.9
375.09222	18.0
393.10272	39.8
435.33472	2.7
449.16290	4.0
453.34201	26.2
484.16766	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	484.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.7
55.01865	0.9
57.03437	2.1
59.04992	0.9
61.02928	1.0
69.03432	8.8
73.02922	11.7
77.23619	0.9
79.05491	11.3
80.77542	0.8
81.03412	6.9
81.07060	66.9
85.02908	30.9
87.00832	3.7
93.07050	1.0
97.02895	24.1
99.04446	6.0
103.03951	4.7
104.06806	0.9
105.01878	4.9
109.02884	17.7
109.06519	100.0
112.16828	0.8
115.03937	8.6
117.45804	0.9
120.50325	0.9
127.03914	27.6
133.04948	10.1
138.74379	0.9
145.04961	12.8
147.02769	1.3
155.10657	36.2
159.02859	2.1
159.15575	0.9
163.05997	7.1
167.10611	1.0
177.09113	1.7
179.85217	0.9
205.08675	1.4
213.03963	3.5
215.22913	1.0
215.27336	1.0
231.05037	7.9
241.10641	4.7
249.06104	1.9
251.12680	6.6
259.08154	6.1
265.09454	1.1
287.14804	4.2
295.10208	11.8
307.08276	8.1
317.15991	2.0
322.10748	36.5
375.09229	2.2
393.10309	5.1
449.16226	1.3
484.15646	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	484.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.8
55.01861	0.7
57.03447	1.6
58.39779	0.7
58.52396	0.6
61.02910	0.9
63.95999	0.7
67.17774	0.7
69.03419	6.4
72.77055	0.6
73.02912	7.5
79.05509	7.3
81.03421	3.4
81.07063	48.3
85.02906	18.0
87.00833	3.1
91.04047	0.6
92.21387	3.1
95.08590	0.8
97.02892	12.7
99.04445	1.8
103.03926	3.2
105.01871	1.4
109.02881	9.0
109.06523	72.2
115.03938	4.2
127.03926	16.3
127.07571	0.8
133.04962	7.1
145.04977	8.4
148.02280	0.9
152.07071	1.0
155.10672	25.3
159.02888	1.9
163.06006	3.7
177.09109	1.0
194.08073	0.9
205.08731	0.8
205.51823	0.9
213.03908	1.2
223.65213	0.8
231.05075	1.0
241.06885	0.9
241.10730	1.2
245.81665	0.8
251.12788	4.8
259.08145	3.5
271.11771	0.9
295.10233	8.7
307.08350	18.9
317.15811	1.0
322.10736	100.0
349.64166	0.8
393.09988	3.2
484.15961	18.3
484.28799	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	485.0692
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39677	1.2
59.95589	1.0
60.34047	1.0
60.73781	1.3
62.56342	1.1
67.31345	1.1
78.78477	1.2
89.97449	1.2
97.98093	1.4
143.01866	1.2
204.88919	1.6
485.06891	100.0
485.12695	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	485.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08876	0.7
91.52191	0.8
98.76413	0.9
101.84148	0.8
129.34615	0.7
139.27600	1.2
184.92860	0.9
185.04071	1.0
235.45152	0.9
322.04498	19.4
323.05261	5.1
371.06842	1.0
372.50980	1.1
485.10535	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94666	1.3
54.39087	1.3
56.96567	11.2
62.41689	1.3
67.05492	1.5
67.33813	1.8
77.70689	1.6
98.97588	50.9
105.07031	7.6
109.10156	1.8
116.98634	30.9
124.99107	14.0
134.99687	11.5
143.00168	67.3
161.01219	62.2
161.21503	1.7
170.99582	1.8
173.01233	3.2
177.65045	1.8
179.02243	3.0
185.01219	16.0
203.02254	8.2
219.03282	2.6
221.04930	2.8
237.04318	11.7
245.05200	1.8
251.05702	2.6
263.05997	5.7
281.06912	2.4
310.04642	1.8
425.12497	2.7
443.13968	8.1
447.13528	1.7
461.14566	2.7
468.16708	1.8
485.14850	100.0
485.21869	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	485.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.1
55.01881	1.0
57.03428	1.7
61.02943	0.9
69.03434	9.1
70.06583	1.0
71.04984	1.1
72.08156	1.1
73.02921	2.1
73.65829	0.4
81.03423	10.3
85.02905	15.9
87.00836	6.6
97.02904	5.7
99.04433	4.4
103.05475	22.7
105.01850	4.1
105.07040	0.6
109.02876	8.9
117.01807	0.9
127.03918	13.7
129.01819	0.6
131.04930	100.0
133.06499	0.7
136.07597	0.6
145.05014	3.8
145.06479	1.7
147.02879	0.5
147.27261	0.5
148.05191	10.5
159.02878	5.8
161.05916	3.5
162.06731	0.6
163.07536	43.2
175.07510	2.2
182.76297	0.5
187.07555	0.7
201.09158	1.1
205.08624	1.0
219.10083	0.8
231.04971	2.5
237.11188	16.1
302.32837	0.5
362.13040	0.5
485.15854	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	485.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95135	1.5
55.01876	2.2
57.03427	1.9
62.06069	1.7
62.45898	1.6
69.03425	11.8
70.06584	12.3
71.04990	4.2
73.59759	1.7
81.03421	37.9
81.44524	1.8
83.04993	4.2
84.04493	2.1
84.08162	2.2
85.02953	2.4
86.09714	8.1
97.02910	3.0
99.04441	21.7
101.07185	1.9
103.03948	3.7
109.02887	15.1
112.70317	1.8
116.07067	4.0
127.03909	7.4
136.07639	2.4
144.21010	1.9
161.07098	29.4
173.07123	3.5
175.08588	3.2
177.05400	2.2
189.06578	62.9
191.08168	51.1
203.08234	3.2
207.07619	57.9
217.09828	2.4
217.28882	2.2
227.08093	3.2
229.09798	4.6
231.07663	6.8
233.09125	2.0
241.09659	7.8
245.09273	2.6
259.10818	9.3
277.11942	17.8
287.10254	18.2
295.12866	17.7
305.11301	57.6
305.14490	3.6
323.12372	100.0
341.13489	12.8
347.12411	7.5
365.13306	8.5
405.16614	3.8
413.13422	2.7
431.14563	11.1
449.15488	34.2
467.16599	91.8
485.17554	2.6
485.32367	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	485.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58758	0.6
52.96414	0.6
53.59664	0.6
69.03425	1.0
70.06590	3.8
84.08128	3.3
85.02917	4.3
86.09703	1.3
88.07458	0.8
94.06571	0.9
97.02853	0.8
108.08136	3.5
110.07137	0.9
115.08686	0.7
120.08105	3.6
122.06026	1.1
124.07612	3.9
125.26435	0.7
129.10185	1.6
129.66475	0.7
130.05057	0.7
132.10165	1.4
136.06508	1.2
136.07585	28.8
142.08621	6.2
146.06038	2.7
147.04413	1.3
154.08658	1.5
164.07068	24.9
173.10759	1.1
189.12398	1.4
201.10286	2.6
213.10258	1.0
213.13959	0.9
224.10710	1.7
226.11008	1.7
241.09584	3.3
241.13348	21.9
259.11658	1.1
259.14432	33.4
269.09909	1.6
269.12842	58.0
287.13889	32.8
305.14954	100.0
320.44684	0.9
390.17377	0.8
426.90152	0.9
467.20178	4.2
485.12024	4.4
485.17105	2.8
485.25381	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	485.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74243	0.5
53.34558	0.4
53.39302	0.4
55.26668	0.5
57.08080	0.4
62.52787	0.5
62.59810	0.4
63.33316	0.5
63.67923	0.4
67.05491	0.5
69.07086	0.6
83.08627	0.8
85.06580	0.5
91.05474	4.2
93.07065	2.0
95.04961	0.9
95.08585	1.1
95.39469	0.5
97.33825	0.5
103.04090	0.5
103.05466	2.4
105.07015	0.6
111.08069	1.1
119.04929	6.3
119.08625	0.6
120.08101	100.0
123.04473	2.2
131.04933	1.0
133.10170	0.7
136.07578	87.2
138.09138	0.8
139.07541	1.1
146.06071	0.6
147.04419	1.0
157.08580	0.9
165.05423	5.8
166.08612	5.0
167.88553	0.6
175.09660	1.3
182.08110	4.4
189.12854	0.7
205.01563	0.5
223.57129	0.6
238.12337	0.6
240.13873	3.4
256.13281	1.3
258.14877	13.4
266.75702	0.6
274.14337	16.9
276.15927	4.9
292.15421	8.7
304.15378	4.5
320.14786	4.8
338.16000	0.7
378.22189	0.7
393.21460	0.7
421.21124	0.8
439.22272	27.2
467.21750	9.9
485.23053	18.7
485.30194	0.9
485.33054	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	485.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
71.26418	0.7
78.92610	0.7
83.08625	1.9
85.46017	0.7
91.05462	3.0
92.21487	0.8
93.07080	0.9
103.05472	1.6
111.08096	1.3
118.64446	0.8
119.04962	5.7
120.08102	100.0
122.39471	0.8
123.04414	1.9
131.04918	0.8
134.05913	0.8
136.07579	89.0
147.04440	0.8
165.05440	7.1
166.08609	4.5
182.08151	2.0
192.40253	0.8
213.45262	0.8
217.92542	0.8
232.29456	0.9
240.13766	3.8
258.14890	14.5
274.14355	16.9
276.16083	5.8
292.15323	6.3
294.95892	0.7
304.15411	3.7
320.14865	3.9
324.80334	0.9
421.21161	1.0
439.22220	25.9
467.21838	9.2
473.26172	0.8
485.22910	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	485.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
62.90514	0.3
70.06586	1.7
72.08154	0.4
75.31198	0.4
84.04492	0.5
84.08131	0.7
86.09719	1.0
95.88227	0.4
100.05062	0.4
101.07129	0.5
102.80448	0.4
118.06575	2.8
125.46925	0.4
127.04023	0.6
129.10234	0.7
132.08084	2.1
144.08069	6.7
146.06007	34.3
159.09154	4.6
170.06023	1.7
188.07062	100.0
189.07407	0.7
205.09723	36.8
207.10362	0.6
257.93213	0.4
458.71558	0.4
503.14047	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	485.2872
Annotation	Stigmatellin Y
Peak:m/z	Relative Intensity
53.00314	1.1
55.05519	3.2
57.03445	6.1
57.07083	31.1
58.88779	0.6
67.05508	4.1
68.44254	0.7
69.07075	5.2
71.08636	24.5
79.05507	0.7
81.07074	8.9
81.41498	0.7
83.08635	7.7
85.10189	15.4
89.06035	2.8
93.07033	0.8
94.74209	0.6
95.08604	14.0
97.10154	4.2
98.98470	19.8
99.04459	4.2
99.64476	0.7
103.07579	1.1
109.10158	9.2
111.11737	1.0
123.11699	2.8
127.53654	0.7
133.10104	1.0
152.79005	0.7
152.80188	0.8
155.01024	14.8
155.02196	0.8
173.02104	2.9
174.84244	0.7
223.13260	1.1
239.23775	1.5
240.15977	7.7
257.24716	0.9
309.91391	0.9
313.27368	100.0
393.23944	1.6
394.87256	0.7
446.49954	0.8
449.26669	15.2
476.36203	0.9
485.39691	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	485.2898
Annotation	Stigmatellin Y
Peak:m/z	Relative Intensity
55.05510	0.5
57.07079	1.1
61.57930	0.2
65.03936	0.3
67.05515	0.3
68.63419	0.3
69.03441	0.3
69.07062	0.3
79.05501	0.6
81.07051	0.7
81.09516	0.3
81.43565	0.2
85.02911	0.5
85.06541	1.2
85.36104	0.3
91.05485	27.5
93.07052	0.3
99.04435	0.3
104.06272	1.1
105.07046	6.8
105.72009	0.3
109.06532	0.5
111.08090	1.3
113.36173	0.3
123.08089	0.4
127.07552	0.6
131.08594	0.4
133.10135	100.0
147.08044	3.0
149.09607	2.9
153.09138	0.5
159.43999	0.3
171.10173	1.4
184.21812	0.3
189.11230	1.2
205.15125	0.3
485.28992	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	485.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.1
56.05038	3.9
57.07703	0.9
61.20205	0.9
69.07093	1.1
70.06593	1.1
72.04517	4.3
74.06094	10.7
74.52309	0.8
79.05523	1.1
80.05038	0.9
81.07069	4.9
85.02925	1.0
93.07054	1.4
94.06578	1.5
95.08616	1.3
96.05614	1.4
102.05572	1.4
105.07052	1.6
109.06456	1.2
109.10184	1.2
110.07164	1.1
111.05565	1.9
112.05141	1.0
118.05023	2.0
119.08552	1.1
120.06606	7.7
121.10132	1.1
124.77319	1.1
126.06652	5.6
133.10162	1.2
135.07727	2.3
137.07118	3.3
138.06664	1.8
148.20398	1.0
154.12292	1.4
162.12762	1.1
164.14313	2.1
172.13284	1.2
188.11870	2.1
192.13852	7.4
206.12956	7.0
208.13319	1.2
210.14914	6.6
222.16002	1.2
224.13908	13.0
226.14368	1.1
235.14410	20.3
238.15437	1.0
250.15468	1.6
251.16449	1.1
252.17078	1.4
253.15501	23.2
268.16574	1.6
270.18204	1.0
286.17651	1.6
302.22028	0.9
333.21701	1.6
351.22586	1.4
387.22351	4.2
406.61774	1.0
485.29703	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28399	1.1
52.86013	1.0
54.59745	1.1
55.05521	1.7
56.05034	2.7
63.41783	1.0
67.05512	2.9
69.07078	1.4
70.06582	5.0
72.04530	1.2
74.06068	3.0
76.05102	2.1
79.05492	2.6
81.07052	10.8
83.04998	1.6
83.08615	1.4
86.09708	1.5
93.07042	6.2
95.08582	11.9
97.06538	1.9
97.10189	1.3
105.07028	8.4
107.08608	15.2
109.06517	2.8
109.10154	7.4
111.05572	1.6
119.08592	9.6
120.06572	5.1
121.10144	12.0
123.08059	2.1
126.06577	1.6
131.08600	1.8
133.10165	11.7
135.08017	1.8
135.11703	5.0
137.09612	1.9
145.10104	8.3
147.11702	11.2
147.12712	1.4
149.09579	1.7
149.13271	6.0
152.25735	1.2
157.10065	1.4
159.11716	6.5
160.07185	2.7
161.09692	1.4
161.13239	9.1
163.11179	1.6
163.14822	2.9
171.11652	5.7
173.09618	2.5
173.13246	11.9
175.11154	2.7
175.14873	9.5
177.09914	1.5
177.12755	1.5
177.16373	1.9
187.14818	15.1
189.16360	5.2
191.14200	1.6
192.13873	1.5
195.11674	1.6
199.14714	1.5
203.14362	1.7
205.15881	5.1
206.12947	2.7
215.14262	9.6
217.16046	2.1
223.13185	1.7
224.13808	4.3
231.13718	2.1
233.15376	14.7
235.14426	7.3
235.16713	1.3
243.17026	1.7
253.15509	7.8
261.14816	2.1
283.20673	1.4
291.19492	1.6
292.99341	1.4
335.28595	1.3
455.31616	5.3
467.31363	8.2
485.33130	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3258
Annotation	Propapyriogenin A2
Peak:m/z	Relative Intensity
55.32104	3.9
67.05508	20.8
69.07081	20.3
77.33778	4.6
79.05511	6.6
81.07056	46.3
84.32496	6.8
91.05482	8.0
93.07052	43.6
95.08615	88.1
105.07042	41.3
107.08609	61.3
109.10168	69.6
111.08082	60.5
116.08015	3.7
119.08553	42.3
121.06520	5.5
121.10143	66.1
123.11691	31.0
131.08551	11.1
133.10130	64.2
135.08109	6.1
135.11676	35.2
143.08569	10.7
145.10141	41.8
146.01067	5.1
147.08116	5.3
147.11642	52.0
149.13268	82.5
155.08536	5.9
157.10126	41.9
159.08026	9.8
159.11696	64.0
161.09598	7.8
161.13269	41.5
163.14853	24.2
164.93169	4.6
169.10158	20.9
170.10895	5.7
171.11714	58.7
173.09576	7.3
173.13274	75.9
175.11217	20.9
175.14836	30.7
177.16412	42.7
183.11754	42.4
185.13272	37.4
187.11203	20.8
187.14830	27.4
189.12758	10.5
189.16420	53.2
195.11725	9.9
197.13306	11.0
199.11159	7.3
199.14799	18.9
201.12775	33.1
201.16377	23.3
203.18013	8.5
205.15898	9.3
209.13239	8.9
213.12770	7.1
213.16454	9.2
215.14333	20.6
215.17961	11.2
217.12128	6.7
219.17422	8.1
221.11681	11.2
225.16309	7.3
229.12160	6.2
235.13313	27.2
243.13768	8.5
245.15390	7.4
261.14642	5.5
273.14862	9.4
393.31915	6.5
409.26926	7.3
427.28342	9.1
431.29541	7.8
437.30484	24.7
449.30618	50.0
455.31549	100.0
467.31561	84.0
485.32550	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	485.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73665	2.5
55.05515	7.2
63.91725	2.7
67.05496	14.2
69.03403	2.9
69.07065	16.1
79.05494	12.4
81.07063	55.8
83.08627	5.1
85.02874	2.7
88.38618	2.8
91.05460	13.8
91.66354	2.8
93.07040	38.2
95.08611	69.0
96.30767	2.7
97.06569	2.9
97.10185	3.1
98.89228	2.7
105.07040	39.8
107.08600	41.4
109.06527	12.5
109.10154	52.1
111.08084	64.2
114.09174	3.1
117.07063	3.2
119.08584	50.0
121.06509	12.7
121.10135	55.5
123.11672	21.4
131.08571	24.3
133.10132	54.2
135.11694	32.3
137.09622	6.1
137.13277	5.0
139.11223	6.0
139.59210	2.9
143.08582	16.7
145.10110	42.7
147.08153	3.4
147.11690	45.5
149.13272	61.4
156.09253	4.1
157.10135	27.2
157.24489	3.0
159.07994	3.6
159.11696	62.9
161.09631	14.6
161.13242	33.3
163.11185	6.1
163.14864	21.1
169.10123	18.4
170.10876	4.1
171.04655	2.7
171.11702	43.4
173.09642	11.5
173.13237	63.3
175.11205	18.4
175.14809	21.6
177.16394	24.1
180.76425	3.0
183.11732	26.2
185.09662	5.0
185.13211	33.1
187.11118	13.2
187.14799	26.6
189.12726	14.9
189.16397	43.2
191.18033	4.5
195.11691	13.1
197.13222	18.1
199.11168	14.6
199.14850	19.6
201.12715	25.6
201.16383	24.8
203.14404	3.9
203.17906	14.5
205.15869	12.9
205.19496	4.0
207.10133	5.3
207.17581	6.2
209.13248	6.4
211.14754	5.2
213.12828	5.3
213.16370	6.4
215.14317	11.5
215.17955	13.3
217.12247	12.6
217.19524	3.7
219.13725	5.7
219.17352	3.7
221.11687	3.8
227.10658	3.4
227.14325	4.7
229.12126	4.6
233.15361	5.8
233.18999	3.7
235.13174	23.9
237.16078	3.1
243.13861	6.3
245.15369	6.1
246.73299	3.0
247.13345	11.7
261.14798	6.4
273.14786	5.4
276.25739	3.6
303.15356	2.9
393.31506	5.3
403.30084	5.2
409.27133	6.4
421.31094	4.8
427.28287	5.8
431.29526	3.3
437.30457	22.4
439.31689	5.3
449.30478	53.5
455.31598	90.4
467.31549	100.0
485.32651	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	485.3258
Annotation	Propapyriogenin A2
Peak:m/z	Relative Intensity
50.49711	2.8
51.08476	3.1
51.75762	2.4
54.60531	2.8
55.05511	6.9
67.05511	22.1
69.07066	13.6
70.01653	3.4
71.04992	3.3
79.05494	6.7
81.07057	44.1
81.63718	3.6
82.64845	3.1
83.08606	4.7
84.87575	3.2
86.09756	3.2
91.05473	13.8
93.07040	36.0
95.08606	84.8
97.10138	3.9
105.07035	50.0
107.08601	54.3
109.06563	4.4
109.10165	62.9
109.34499	3.9
111.08091	74.7
119.08577	46.5
121.10143	62.6
123.11719	20.1
131.08577	20.7
133.10141	56.5
135.11697	26.0
137.13272	4.1
143.08592	18.1
145.10143	45.6
147.08070	4.2
147.11703	54.8
149.13264	77.2
155.08606	3.9
157.10121	49.4
159.08031	6.9
159.11685	55.4
161.09627	7.5
161.13251	46.2
162.82254	3.8
163.11150	5.0
163.14833	20.1
168.27100	4.5
169.10071	7.9
171.11671	42.1
172.20680	3.6
173.09627	19.6
173.13232	78.6
175.11180	22.2
175.14848	25.0
177.12692	3.7
177.16376	34.6
183.11688	27.9
185.09596	5.0
185.13219	35.2
187.11133	6.5
187.14835	37.0
189.12794	18.1
189.16402	51.5
195.11653	12.7
197.13266	23.9
199.11179	14.6
199.14854	21.2
201.12813	30.4
201.16377	24.3
203.14320	8.3
203.17995	19.6
205.12209	5.6
205.15895	6.8
207.17474	6.3
211.14746	5.2
213.16403	6.2
215.14297	21.5
215.17929	16.2
217.12334	8.0
219.13983	5.4
221.11688	7.0
225.12791	3.9
227.17932	4.6
229.12341	6.3
235.13158	27.8
237.16397	4.0
243.13774	16.1
245.15384	7.3
247.13412	5.9
261.14841	13.8
292.19208	3.9
393.31720	5.3
403.29938	4.8
421.31143	4.8
431.29388	4.7
437.30481	26.2
449.30545	54.2
455.31525	96.2
467.31586	100.0
485.20914	5.1
485.32663	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	485.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39991	1.4
54.45074	1.3
55.05513	2.9
55.83531	1.3
57.07095	2.3
59.15793	1.2
63.20897	1.3
67.05519	9.2
69.07079	28.6
79.05501	2.8
79.42900	1.5
81.07056	22.1
82.48710	1.8
83.08633	10.2
86.43362	1.8
91.05458	3.3
93.07078	7.2
94.36573	1.5
95.08623	22.4
97.02941	1.7
97.10195	2.0
105.07076	7.1
107.08580	16.9
109.10162	30.8
111.08025	1.9
117.07027	2.0
118.00002	1.5
119.08586	12.3
121.10179	8.9
122.25441	1.5
123.11725	6.8
125.09679	1.6
131.08646	6.2
133.10170	9.8
135.08200	2.5
135.11716	8.3
143.08556	1.7
145.10167	8.6
145.47452	1.5
147.11711	5.9
149.13350	2.9
151.13031	1.7
155.08493	2.5
157.10155	6.7
159.08119	1.7
159.11707	3.8
160.24944	1.5
161.09654	2.8
161.13266	2.8
163.11153	2.2
169.10089	3.2
171.11748	3.2
173.09648	3.0
173.13342	2.7
175.11264	2.5
175.14900	2.3
183.11766	6.1
185.09663	2.1
185.13318	5.4
187.11191	2.9
187.14897	5.9
192.79552	1.7
197.13239	3.7
199.11259	1.9
201.12668	2.3
209.13300	3.8
211.14888	5.7
213.12741	3.4
215.10767	1.8
225.16389	2.2
227.14229	1.9
229.12314	2.6
237.16479	2.5
239.14345	1.7
239.17952	3.0
251.18045	2.4
267.17603	3.2
269.19153	2.5
295.20682	2.1
321.22040	2.0
374.72913	1.6
393.24265	2.7
403.30029	2.6
405.31592	1.7
411.25412	3.4
421.31125	7.0
423.62503	1.8
431.29413	8.7
449.30609	20.1
467.31485	29.8
485.17456	2.7
485.24054	7.7
485.32648	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36975	3.3
60.27693	3.4
67.05511	9.3
69.03452	5.1
69.07070	7.5
73.81310	3.8
79.05498	16.6
80.34644	4.2
80.44150	4.2
81.07072	60.7
83.08609	4.9
91.05486	15.6
93.07050	44.6
95.08608	89.9
105.07031	52.2
107.08596	63.3
109.10162	34.2
119.08578	80.4
121.06508	4.7
121.10142	57.5
121.97043	4.5
123.11671	17.4
131.08566	22.5
133.10130	56.2
135.11710	31.6
139.11143	5.5
143.08644	15.1
145.10118	67.8
147.11696	52.6
149.13231	16.1
151.11075	4.1
155.08485	4.2
157.10143	38.8
158.10834	4.8
159.11693	77.4
161.06029	4.5
161.09660	29.9
161.13260	73.8
162.24329	3.6
163.14859	9.3
169.10100	8.9
171.11714	36.0
173.09584	25.0
173.13229	73.6
174.59027	4.6
175.11200	15.5
175.14850	27.8
177.16357	5.0
183.11667	21.9
185.13290	21.3
187.11168	27.0
187.14803	60.1
189.09200	17.8
189.12756	7.5
189.16391	39.6
197.13310	30.1
199.11179	10.6
199.14848	25.7
201.12753	37.6
201.16420	34.5
203.10719	30.8
207.10132	6.3
207.17429	19.0
209.13138	7.2
211.14786	8.1
215.10637	52.3
215.14249	42.9
217.12206	18.0
219.17511	5.2
221.11681	9.4
223.14630	5.3
225.16435	6.8
227.17975	7.6
229.12338	7.4
231.13647	5.8
233.11703	49.7
243.13821	100.0
251.17693	5.0
255.13835	4.8
257.15216	6.8
261.14844	92.7
283.16965	5.7
364.30173	5.0
403.70120	4.4
409.27386	50.9
421.31058	5.5
431.29507	17.3
437.30585	19.8
449.30576	91.5
467.31598	92.7
485.20261	10.1
485.32620	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	485.3264
Annotation	Propapyriogenin A2
Peak:m/z	Relative Intensity
55.05506	4.4
56.85205	2.5
63.19233	2.2
65.04292	2.4
66.33176	2.6
66.57166	2.2
67.05527	30.6
69.03415	2.4
69.07079	36.5
79.05482	10.5
81.07059	50.2
82.37579	3.0
83.04951	2.8
83.08622	2.8
91.05459	6.0
92.20934	3.7
93.07037	18.9
95.08603	36.1
97.06566	4.3
99.04531	3.0
99.08096	10.6
105.07037	18.4
107.08598	31.4
109.06530	5.1
109.10158	100.0
111.08090	10.8
113.20903	3.1
117.06945	3.6
119.08559	22.4
121.06518	6.0
121.10147	26.5
123.11679	5.5
125.09629	3.2
129.35155	3.0
131.08571	12.1
133.06451	3.8
133.10117	22.5
135.08066	14.3
135.11668	14.0
137.09619	11.5
137.39572	2.7
143.08557	11.4
145.10156	21.4
147.08069	6.0
147.11678	20.2
149.09593	5.7
149.13242	3.7
155.08582	3.8
157.10120	18.8
159.08076	3.7
159.11700	21.6
161.09613	12.5
161.13185	5.1
163.11154	6.4
163.14767	3.5
169.10158	7.1
171.11719	6.0
173.09627	6.0
173.13235	6.8
175.11168	4.0
177.12714	3.7
181.10078	4.1
183.11693	11.1
185.09613	4.0
185.13211	4.4
187.11171	4.9
187.14769	4.7
189.12756	3.8
195.11678	11.8
197.13193	4.5
199.11093	3.9
199.14847	4.5
201.12846	5.1
202.48920	2.9
203.14265	4.1
207.11630	3.3
209.13258	4.5
211.14885	4.3
213.16319	4.2
223.14900	3.8
227.14401	4.4
237.16255	4.9
249.16438	5.6
251.18112	3.6
255.17407	4.4
261.14777	3.4
269.66888	3.3
281.18802	3.0
293.18951	4.0
311.19965	5.1
311.31448	3.2
315.19662	3.4
367.22327	5.0
385.23654	12.4
393.23935	5.4
395.25693	4.6
411.25424	3.4
413.27969	3.4
419.29291	4.1
421.31210	6.0
431.29367	13.0
437.30103	4.6
439.31833	5.0
449.30362	37.3
467.31604	99.8
482.78839	2.9
485.26413	5.1
485.32666	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	485.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	15.0
57.07084	18.1
61.89392	2.3
67.05504	20.2
69.07071	23.6
71.08628	12.6
79.05472	9.5
81.07056	37.4
83.08624	29.4
85.06577	2.3
85.10200	3.5
85.23224	2.2
85.23792	2.6
91.05480	3.1
93.07049	5.9
95.08601	31.6
97.06528	3.7
97.10165	29.8
99.44413	2.3
100.15987	2.5
105.07043	3.3
107.08587	25.6
109.10168	19.7
111.11721	3.1
117.14422	2.2
118.17532	2.3
119.08539	3.8
121.10148	12.3
123.08049	3.3
123.11707	15.8
124.11215	3.9
125.09632	23.7
125.83379	2.4
133.10121	13.8
135.08093	18.6
137.09605	3.0
137.13208	2.5
141.12721	5.7
142.12283	12.7
147.11702	8.1
152.10744	5.4
153.09099	11.2
161.13275	10.2
163.14841	3.3
168.95763	3.3
170.10330	4.6
170.11752	100.0
186.96802	14.3
188.12828	17.2
189.16478	4.4
204.97833	13.3
211.17838	2.7
245.22635	10.7
263.23703	12.1
280.26346	23.7
282.04294	2.9
298.27405	69.0
299.25839	5.1
317.17914	21.9
335.18729	9.2
467.38531	53.5
471.18344	4.2
485.19604	26.8
485.33038	4.4
485.39404	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	485.395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37516	1.2
55.05275	1.2
55.05520	9.3
57.07082	12.7
60.58024	1.3
60.59898	1.5
63.35800	1.3
67.05509	9.4
69.07076	19.0
70.55205	1.3
71.08636	10.6
79.05503	5.7
81.07063	26.0
83.08630	22.9
85.10197	3.3
87.74132	1.5
91.05486	2.8
93.07047	9.6
95.08610	33.5
97.06530	2.1
97.10172	23.9
99.08084	1.7
100.07631	3.5
105.07034	2.5
107.08601	18.5
109.06505	1.9
109.10175	19.2
111.08029	1.8
114.09167	2.8
119.08581	3.2
121.10151	7.2
123.08012	2.7
123.11710	9.1
124.11215	2.5
125.09625	15.2
133.10143	8.7
135.08069	7.4
135.11667	2.8
137.09711	1.5
137.13266	2.0
141.12756	2.1
142.12276	9.5
147.11699	7.5
149.13277	2.0
152.10692	3.4
153.09094	8.1
155.14264	3.2
161.13272	3.5
163.14828	2.4
165.16310	1.6
170.11761	65.2
172.62061	2.1
188.12781	12.6
221.17682	1.8
245.22620	7.9
263.23715	3.9
280.26254	11.1
298.27286	15.0
334.80414	2.1
442.63483	1.8
467.38437	100.0
485.19702	3.1
485.40555	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	485.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07075	3.4
63.24942	0.5
67.05520	1.0
69.07072	1.3
70.06602	6.9
71.08638	1.4
76.02159	0.6
81.07057	1.4
81.95792	0.5
82.35755	0.5
83.08625	2.5
85.10150	0.7
88.07636	18.4
93.07054	0.9
95.08611	0.9
97.06529	0.7
100.89291	0.6
102.09187	16.4
107.08578	0.8
111.08109	0.8
121.10130	0.8
121.72590	0.5
132.06207	0.6
149.13264	6.3
151.69095	0.6
159.11662	0.7
165.55231	0.6
166.15941	6.8
167.14365	1.3
184.17099	0.6
184.83069	0.6
212.16431	7.0
212.23711	0.8
238.17960	5.1
239.16435	2.7
256.19086	17.2
256.26337	100.0
257.17493	0.7
274.27402	6.0
485.43115	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	486.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	0.6
61.13353	0.5
61.73779	0.4
67.97593	0.5
70.06582	1.1
72.08142	0.9
76.56992	0.6
77.82340	0.4
79.75454	0.5
81.07031	0.5
84.04514	0.5
84.08125	0.6
86.09688	2.5
116.08202	0.6
129.10239	0.9
143.74963	0.5
160.07175	0.6
162.25813	0.7
177.09883	0.8
184.07213	1.0
195.36229	0.5
241.45691	0.5
296.09164	30.8
322.07111	2.7
324.08673	100.0
344.69717	0.6
468.30753	0.7
486.13937	44.6
486.33337	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	486.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06561	0.3
70.45015	0.3
72.08109	0.3
86.09651	0.3
89.07748	0.2
91.54565	0.2
91.61887	0.2
104.74326	0.2
105.40929	0.2
123.63184	0.3
128.41058	0.2
280.09604	1.6
308.09140	8.9
309.09912	5.2
324.12277	100.0
463.04984	0.3
486.17563	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	486.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87185	0.2
53.27076	0.2
58.82775	0.2
62.35895	0.2
64.88779	0.2
70.06555	0.4
84.08111	0.3
85.02856	0.3
86.09634	0.5
92.21164	0.5
97.02834	0.3
116.07023	0.3
127.03945	0.4
134.64587	0.2
147.04353	0.3
148.04872	0.3
168.23892	0.2
280.09625	1.5
308.09177	6.5
309.09897	4.7
324.12286	100.0
371.22870	0.3
441.18689	0.3
454.20041	0.5
486.17636	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	486.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77857	0.2
56.05017	0.4
59.16652	0.2
70.06596	2.3
72.08167	1.9
74.06050	0.3
76.05097	0.3
84.04464	0.3
84.08152	3.2
86.09713	5.5
92.21474	0.3
96.51226	0.2
103.73596	0.2
110.07129	0.4
116.07089	0.3
118.28514	0.2
120.08070	0.2
129.10251	2.8
162.70424	0.2
184.07281	0.4
185.16444	0.8
221.13651	0.3
294.07571	1.4
301.16681	0.2
309.06177	0.4
309.09937	27.1
324.12299	100.0
409.96017	0.2
486.17642	19.8
486.25327	1.1
499.85767	0.2
503.92865	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	486.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.8
57.03446	12.9
58.00520	1.3
60.04525	1.8
61.38319	1.7
62.93606	1.6
67.25251	1.5
69.03432	68.6
70.06602	3.5
71.04990	3.3
73.02930	2.5
77.31728	1.5
81.03429	21.8
83.05006	4.0
83.66628	1.7
85.02906	100.0
86.09726	2.6
87.00839	36.3
87.04476	16.2
88.07634	2.3
90.18735	1.7
92.20963	2.5
96.76795	1.5
97.02892	69.9
99.04469	15.5
105.01867	67.8
109.02876	33.6
111.04434	3.4
113.91192	1.8
115.03936	30.3
116.07062	2.7
127.03912	86.2
129.01852	2.4
129.05537	3.0
133.04973	15.6
139.03923	2.9
145.04944	24.6
149.05841	2.1
150.07614	10.9
159.02878	7.8
173.09145	1.7
189.03809	2.6
213.03918	3.6
223.06194	2.5
231.05026	35.2
241.07120	7.7
249.06047	19.2
255.17424	2.0
259.11172	2.1
279.41953	2.0
301.12616	3.5
309.06018	1.9
319.13943	19.9
322.99930	1.8
327.07187	10.0
333.15097	35.7
345.08185	24.2
363.09146	8.1
379.15622	9.5
422.20355	2.5
450.19330	7.3
468.20358	16.1
486.21472	23.4
486.35022	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	486.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51411	0.5
52.16105	0.5
55.10699	0.4
56.05050	1.1
69.07068	0.9
78.57032	0.6
82.06596	1.1
84.08150	100.0
95.05528	0.7
105.36800	0.6
114.09171	1.3
123.04430	0.8
129.10251	2.6
136.07536	4.5
165.05482	3.1
166.09753	1.3
169.09737	2.5
177.09889	0.7
182.08177	1.5
191.74333	0.7
194.09267	16.6
206.09378	0.8
206.89307	0.7
232.14429	7.4
259.15561	7.7
260.14035	2.5
277.16660	3.0
286.08972	0.6
287.15070	2.5
294.12540	2.6
305.16058	35.5
312.13629	1.1
414.63315	0.7
486.23541	65.1
486.30112	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	486.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27483	0.6
55.05524	1.7
56.05035	1.7
57.07080	14.3
59.01816	0.7
67.05516	8.2
69.07080	4.4
71.08630	1.0
72.04520	1.7
74.06097	1.6
76.05139	4.3
79.05513	3.1
81.07062	9.2
83.08635	2.8
85.06564	2.7
91.05495	1.4
93.07046	5.7
95.08607	12.0
97.10184	1.5
98.06081	0.7
98.09715	0.7
99.08074	1.0
100.07633	1.0
105.07024	1.0
107.08549	5.3
109.10155	11.2
112.07695	0.7
114.09196	1.2
116.08230	5.7
118.05035	1.2
119.08573	0.9
121.10175	6.0
123.11742	1.6
124.11225	3.9
126.09164	0.8
127.11189	15.7
133.10158	1.5
135.08051	1.0
135.11717	4.6
137.09627	1.3
137.13327	0.8
142.15918	1.1
145.10114	0.8
147.11722	1.1
149.09659	1.2
149.13306	3.7
152.10767	1.3
154.12288	2.7
155.14305	1.4
159.11723	0.9
160.07173	2.7
161.13263	1.3
163.14819	1.6
168.13846	3.8
169.15921	4.7
173.13235	1.6
177.09869	1.6
177.12738	0.9
177.16399	1.0
180.53371	0.7
180.89459	0.8
184.14612	0.7
187.14644	2.5
194.16527	23.3
208.18011	1.0
219.21100	0.9
219.48029	0.7
243.21162	1.1
261.22266	3.4
265.20334	1.1
270.06342	0.8
278.24722	10.7
290.25894	1.4
295.27530	1.1
303.24615	1.0
310.27328	18.0
318.25375	13.1
335.28125	4.7
337.29468	1.3
353.29095	16.0
454.33881	35.9
454.40314	1.2
486.36584	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	486.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44754	0.8
55.05524	1.8
57.07079	7.9
64.44341	0.9
67.05513	9.5
69.07058	4.4
69.89969	0.9
71.08644	7.6
71.45525	0.7
72.04523	1.4
73.38912	0.8
74.06076	1.5
79.05495	1.5
81.07062	14.9
83.08624	2.1
86.06095	0.9
91.05469	1.5
93.07069	8.3
95.08624	12.6
96.05596	2.0
97.06532	1.2
97.10184	1.6
107.08586	4.1
109.10154	5.7
110.09642	2.0
116.08228	6.2
118.04996	1.0
119.08559	1.5
121.10165	9.3
123.11693	5.6
131.08591	1.9
133.10155	1.7
135.08122	0.9
135.11697	5.8
138.09166	1.6
140.10715	1.7
141.12759	9.4
145.10179	2.2
149.09593	2.1
149.13266	1.9
159.11745	1.9
163.11183	1.5
173.12927	1.9
177.09779	1.3
177.16356	2.2
183.17560	1.3
208.18132	17.9
219.21068	4.4
233.22739	1.2
243.20990	3.7
251.18651	1.4
261.22070	5.0
278.24796	9.9
290.25922	1.4
295.27411	3.5
310.27417	21.4
318.25485	11.5
335.28043	4.4
337.29697	1.8
353.25427	1.2
353.29120	19.0
454.33871	30.1
474.13452	1.0
486.36761	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	487.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79280	0.7
70.06593	14.0
72.08155	3.5
84.08149	5.2
86.09701	5.5
102.05608	0.8
109.11900	0.8
115.08649	0.9
120.08109	1.8
127.03664	4.0
129.10239	7.7
136.07599	1.4
137.05949	1.8
145.73988	0.8
147.07623	1.2
149.08104	0.9
169.13295	1.5
177.01561	1.1
185.04196	1.8
186.05945	1.3
192.03920	33.2
193.04784	1.9
245.11385	1.6
272.16144	1.2
312.95328	1.0
317.08487	7.3
347.61511	0.9
430.22888	1.5
487.14188	100.0
487.25229	12.0
487.32339	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	487.2128
Annotation	3-Deamino-3-hydroxykanamycin X
Peak:m/z	Relative Intensity
56.96593	1.5
67.97123	1.4
69.07448	1.3
71.72414	1.3
73.81132	1.2
76.14211	1.5
93.40691	1.4
123.69646	1.4
124.51368	1.2
127.11505	1.5
136.93121	5.2
150.94751	2.6
154.94180	7.3
164.00723	1.3
168.95731	31.4
172.95195	13.7
182.09447	1.4
186.96794	93.0
190.96396	2.4
204.97861	47.1
206.21521	1.5
209.98279	1.7
210.96721	10.1
219.31679	1.5
224.98410	12.2
226.99884	3.5
228.97905	14.2
242.99463	17.4
245.00995	1.9
290.14078	1.7
319.19467	26.8
335.18768	1.8
337.20511	49.8
355.21646	2.3
359.64050	1.6
378.59900	1.4
399.15906	1.8
413.17676	2.2
427.19299	2.0
455.18628	10.2
469.20169	6.1
473.19708	32.2
487.21414	100.0
487.40845	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	487.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36130	0.5
50.58226	0.6
53.65489	0.5
59.60189	0.5
67.05519	0.7
69.03439	1.0
69.07087	4.7
69.07394	0.5
75.45913	0.6
76.14634	0.5
78.98735	0.5
79.05493	0.7
81.07054	1.2
83.04982	0.6
85.02898	2.5
87.05602	0.6
88.21093	0.6
93.07059	0.7
95.08591	2.3
97.02896	0.9
100.31673	0.6
107.08561	1.0
109.10166	1.3
111.11727	1.1
114.09178	3.3
119.08619	1.2
121.10134	0.9
123.11710	0.6
127.03927	0.7
133.36324	0.6
185.04242	0.6
224.03532	0.7
267.60089	0.6
277.09097	0.7
307.16434	0.7
307.26099	0.8
325.16196	3.5
325.27371	3.1
442.85919	0.7
443.22440	7.9
486.86923	0.7
487.21478	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54597	0.7
53.55468	0.6
63.61072	0.6
69.03406	0.9
70.06591	2.9
72.08164	1.3
72.82962	0.7
84.04529	0.8
84.08132	1.5
85.02898	0.8
86.09704	7.4
108.70813	0.7
119.04951	1.1
131.32161	0.7
133.02907	7.0
137.05945	1.0
146.05237	0.8
147.04451	0.9
149.06023	1.8
175.03931	0.9
177.05461	1.3
201.03789	3.2
201.05524	1.0
203.05312	1.5
208.31993	0.7
275.07483	1.4
325.10876	3.8
333.07925	42.7
335.09525	30.4
335.13345	1.5
487.21570	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	487.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67043	0.6
56.05030	1.3
57.03443	0.7
59.03728	0.6
69.03435	0.9
69.07059	1.7
70.06586	5.5
72.08163	1.6
84.08144	100.0
85.02919	1.6
85.06553	1.3
86.09699	11.3
97.02901	1.7
101.10795	3.2
106.12209	0.8
109.85120	0.7
112.07616	7.9
119.95648	0.8
120.08109	1.1
123.09145	1.3
124.36723	0.8
129.10263	4.2
129.70494	0.8
130.04962	1.2
130.08604	1.3
143.11858	0.9
147.07663	1.4
151.08705	3.6
169.09717	34.1
171.19781	0.9
177.05490	1.7
178.09773	7.0
179.08197	1.4
186.61278	0.9
193.04961	79.1
194.37825	0.8
196.10806	3.6
197.09210	28.4
200.13976	3.5
260.16034	1.4
261.17148	1.1
262.15512	9.6
289.16623	13.9
307.12317	1.1
307.17557	8.5
308.16000	1.1
323.99295	0.8
325.18683	76.5
326.83823	0.8
341.21674	0.9
354.27942	1.0
355.10214	14.3
427.16455	1.0
451.21832	1.2
487.16708	3.2
487.23636	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	487.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45815	0.8
56.05045	9.6
56.82611	0.7
60.05648	1.9
61.55832	0.8
70.06232	1.6
70.06593	31.8
72.04514	3.8
72.08157	6.8
72.45195	0.7
72.86794	0.8
74.06074	4.1
76.05109	1.0
82.42413	0.9
84.04502	1.7
84.08139	6.4
85.02902	1.5
86.09733	6.6
87.07996	1.9
89.22375	0.8
98.06100	0.7
100.23937	0.8
102.05511	2.9
109.06509	3.4
110.07173	3.4
112.08738	9.3
113.07147	1.8
114.05474	0.9
114.10216	0.8
115.07977	0.7
115.08658	6.6
116.07088	5.2
118.04908	0.9
120.06555	2.9
126.09104	1.5
129.10240	11.6
130.05026	1.1
130.09729	1.4
136.07562	1.9
137.05975	18.8
137.06944	1.4
140.08186	1.4
154.08611	10.2
157.10892	1.7
157.21091	0.8
158.09227	14.3
159.07568	0.9
160.07120	1.1
175.11888	10.3
177.08681	6.0
186.12383	0.9
192.03925	4.7
210.11305	4.0
220.09627	1.0
238.10736	1.3
248.13959	5.1
248.90569	0.8
251.13969	1.7
263.64465	0.9
266.15320	1.0
276.13504	5.4
291.83682	0.8
294.14429	4.5
311.17499	1.3
312.15472	0.9
317.08386	1.1
317.14398	1.3
328.19641	0.9
329.18155	11.2
354.21246	1.1
430.23077	10.2
487.14374	12.9
487.25076	100.0
487.31290	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	487.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	16.1
56.05041	33.3
57.03441	3.5
57.07082	3.0
60.05687	2.8
62.36449	2.8
66.65075	2.7
67.05528	20.9
69.03432	5.0
69.07063	13.0
71.08637	5.5
72.04511	11.6
73.74158	2.4
74.02457	3.8
74.82182	3.1
76.05131	14.1
79.05503	13.2
81.03439	42.9
81.07064	22.6
83.04985	7.2
83.08619	33.6
85.10167	4.1
91.05489	12.3
91.76918	2.9
92.86052	2.7
93.07040	16.0
95.04976	16.4
95.08620	18.0
96.05616	3.1
97.06518	3.9
97.10172	12.4
98.06071	5.9
99.08073	4.1
102.05559	6.6
105.07050	11.5
107.08613	23.1
109.06515	2.8
109.10146	29.6
110.10435	3.3
111.08054	13.9
113.09630	5.2
116.08240	3.9
117.07057	3.5
118.05026	13.4
119.08572	15.8
119.59771	2.4
119.60783	2.6
121.10136	13.8
122.56828	2.6
123.11656	3.5
125.09657	6.6
126.05473	3.2
131.08549	13.0
133.10136	12.7
135.11699	12.3
137.09657	3.7
139.11188	17.6
144.06526	14.4
145.10143	3.9
147.11679	16.1
149.09592	6.2
151.11230	4.0
157.10156	5.7
158.67708	3.4
160.07172	11.9
161.09189	5.2
163.11176	6.7
165.12636	4.2
172.13417	3.3
173.11722	6.2
175.11223	12.1
177.08594	43.8
177.09898	14.3
180.13808	5.7
193.12230	50.3
208.14435	16.4
211.13278	88.3
223.15543	3.1
227.12344	3.1
275.20013	4.4
281.22101	3.4
293.21097	48.8
311.22134	35.3
319.25528	3.0
332.23148	4.7
335.23190	3.4
368.25525	14.7
369.61041	3.1
455.34094	18.1
469.30145	21.2
487.30939	100.0
487.36884	27.9
511.36957	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	487.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	16.1
56.05041	33.3
57.03441	3.5
57.07082	3.0
60.05687	2.8
62.36449	2.8
66.65075	2.7
67.05528	20.9
69.03432	5.0
69.07063	13.0
71.08637	5.5
72.04511	11.6
73.74158	2.4
74.02457	3.8
74.82182	3.1
76.05131	14.1
79.05503	13.2
81.03439	42.9
81.07064	22.6
83.04985	7.2
83.08619	33.6
85.10167	4.1
91.05489	12.3
91.76918	2.9
92.86052	2.7
93.07040	16.0
95.04976	16.4
95.08620	18.0
96.05616	3.1
97.06518	3.9
97.10172	12.4
98.06071	5.9
99.08073	4.1
102.05559	6.6
105.07050	11.5
107.08613	23.1
109.06515	2.8
109.10146	29.6
110.10435	3.3
111.08054	13.9
113.09630	5.2
116.08240	3.9
117.07057	3.5
118.05026	13.4
119.08572	15.8
119.59771	2.4
119.60783	2.6
121.10136	13.8
122.56828	2.6
123.11656	3.5
125.09657	6.6
126.05473	3.2
131.08549	13.0
133.10136	12.7
135.11699	12.3
137.09657	3.7
139.11188	17.6
144.06526	14.4
145.10143	3.9
147.11679	16.1
149.09592	6.2
151.11230	4.0
157.10156	5.7
158.67708	3.4
160.07172	11.9
161.09189	5.2
163.11176	6.7
165.12636	4.2
172.13417	3.3
173.11722	6.2
175.11223	12.1
177.08594	43.8
177.09898	14.3
180.13808	5.7
193.12230	50.3
208.14435	16.4
211.13278	88.3
223.15543	3.1
227.12344	3.1
275.20013	4.4
281.22101	3.4
293.21097	48.8
311.22134	35.3
319.25528	3.0
332.23148	4.7
335.23190	3.4
368.25525	14.7
369.61041	3.1
455.34094	18.1
469.30145	21.2
487.30939	100.0
487.36884	27.9
511.36957	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	487.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	1.5
60.05643	0.6
61.00687	0.6
67.05493	1.0
72.04523	3.8
74.06091	6.0
76.05119	0.9
79.05493	0.9
80.04996	0.7
81.07075	1.2
93.07023	0.8
94.06570	1.2
96.04530	0.8
96.05605	1.1
107.08599	1.4
109.10181	1.1
111.05580	1.0
112.05128	1.2
117.06609	0.7
118.04995	3.4
119.08571	0.7
120.06605	7.6
122.07181	1.1
123.11737	0.8
124.05174	1.0
124.06320	0.8
126.06644	6.3
133.10141	1.3
135.07661	3.8
137.07199	0.9
137.09555	0.6
143.18259	0.6
147.11676	0.7
154.12279	1.2
156.56418	0.6
164.14368	1.4
167.15761	0.7
167.70839	0.6
172.13358	1.1
174.12784	1.0
177.09953	0.8
181.13367	0.7
190.13438	4.5
192.13834	6.5
208.14604	7.4
210.14822	6.0
226.15517	7.9
233.12761	1.0
235.14450	15.4
250.15451	1.6
251.16370	1.3
252.14650	0.8
252.17108	1.2
253.15456	23.8
268.16650	3.5
286.17743	2.8
292.22470	0.7
332.23193	1.0
335.23514	1.6
353.24353	1.3
366.53461	0.7
387.22641	1.6
448.86554	0.8
487.31314	100.0
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	Unknow
Peak:m/z	Relative Intensity
57.07070	5.7
59.47758	6.9
62.42192	6.9
62.42503	7.5
69.03446	14.8
69.07077	13.2
70.06602	11.0
71.04988	28.7
81.07056	41.5
83.04981	10.0
83.08646	9.2
85.02924	37.1
85.06544	9.1
86.09694	36.4
93.07057	14.8
95.08614	60.5
97.10175	8.7
97.73150	7.1
99.67640	7.5
105.07044	13.0
107.08575	45.8
109.02837	7.4
109.10201	58.5
109.10806	7.7
111.08105	16.5
119.08600	100.0
121.10146	46.3
123.11695	14.5
125.09640	13.5
127.03925	16.2
127.11182	41.8
131.08577	10.8
133.10146	8.9
135.11710	32.0
137.06001	7.7
143.10690	10.1
145.04929	8.6
145.10143	32.5
149.13255	12.5
157.10107	15.8
159.11674	16.3
161.13390	7.9
165.12726	9.7
167.36220	7.4
169.10114	14.1
171.11676	14.3
173.13242	7.6
175.14723	7.5
183.11678	27.0
185.13228	10.9
187.11284	9.4
189.32552	7.6
199.14769	8.8
223.14961	10.5
235.14867	9.7
247.14748	10.2
291.36703	7.8
307.26202	12.7
322.79578	6.7
325.27341	8.1
433.30865	35.6
441.33652	11.2
451.31992	66.2
469.33249	85.1
487.24979	34.0
487.34302	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	487.3417
Annotation	Acerinol
Peak:m/z	Relative Intensity
55.05519	7.7
62.96716	1.2
67.05506	10.2
69.03440	3.0
69.07071	5.8
71.04980	2.0
78.95492	1.7
79.05492	7.5
81.07067	24.7
83.04995	20.9
83.08625	2.5
85.02946	1.7
85.06551	2.3
91.05495	3.5
93.07043	20.8
95.04959	3.3
95.08611	32.1
97.06541	2.0
97.10205	1.8
105.07031	13.2
107.04958	2.5
107.08601	30.6
109.06523	6.6
109.10186	17.2
111.08102	8.0
117.07010	2.8
119.04950	5.6
119.08581	20.5
121.06495	8.3
121.10152	12.7
123.08070	2.0
123.11695	1.9
124.37901	1.5
125.09650	2.0
131.08623	6.3
133.10141	14.9
135.04405	1.7
135.08073	2.8
135.11723	6.4
137.13246	2.1
139.11189	2.2
143.08530	10.1
145.06511	3.3
145.10104	20.3
147.08047	8.8
147.11714	9.2
149.06029	5.9
149.09618	1.9
151.11195	3.1
153.12729	19.2
155.08615	1.8
157.06552	1.5
157.10141	12.9
159.08000	2.3
159.11755	9.1
161.09627	2.2
161.13271	3.4
163.11148	3.4
167.08560	1.5
169.10132	5.8
171.06747	1.4
171.08072	2.2
171.11722	7.9
173.13266	7.8
173.15306	1.5
175.07600	2.8
175.14893	2.7
177.12764	2.2
183.11710	6.1
185.13275	14.5
187.11298	1.7
187.14816	17.6
189.12796	3.0
191.14392	2.0
195.11697	2.2
197.13283	6.0
199.14925	2.6
201.12700	2.3
201.16454	1.4
203.14333	3.4
205.15973	2.8
209.13252	1.8
211.14833	2.8
213.12727	11.3
213.16440	1.6
215.14268	2.1
219.17426	1.4
225.16492	3.2
227.14345	1.6
227.17926	2.5
231.13805	30.2
237.16277	2.0
239.18011	2.6
241.15875	1.8
243.17398	2.9
251.17772	1.8
269.18967	2.7
307.26376	5.6
325.27252	1.9
369.24313	2.1
415.29831	3.4
433.30945	16.6
451.32086	54.3
461.55252	2.0
469.33395	17.3
487.34219	100.0
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
57.03450	0.9
57.57450	0.6
61.79539	0.6
65.42907	0.8
67.05510	1.7
69.07068	9.0
72.08172	0.8
79.05501	1.5
81.07067	3.7
83.04967	1.0
83.08624	1.5
88.07647	2.6
91.29717	0.7
93.07033	5.3
95.08610	4.7
97.06528	5.3
99.04462	1.1
100.07618	1.5
104.07110	1.2
107.08595	5.2
108.39487	0.8
109.10154	2.9
111.08062	3.1
111.11737	4.0
114.09175	2.8
121.10172	2.7
125.14209	0.7
135.11691	23.2
145.10197	1.0
152.14334	19.6
153.12743	13.4
163.11243	1.3
170.15356	6.9
180.13829	1.8
181.12308	1.5
196.79642	0.7
198.14882	31.8
198.16727	1.4
199.13336	2.8
210.11072	1.5
224.16435	14.4
225.14822	9.4
242.17494	82.2
242.24774	3.5
333.29337	0.9
439.39771	0.8
487.41086	100.0
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
56.82919	0.7
57.03458	1.1
57.07097	0.8
67.05502	3.6
69.07073	7.3
71.08601	0.8
72.08184	0.8
73.41702	0.8
79.05501	3.0
81.07073	4.7
83.08622	2.8
85.06559	0.8
86.06088	1.2
88.07635	2.9
89.56496	0.7
93.07053	6.0
95.08611	4.0
97.06532	5.5
99.04479	0.8
99.46289	0.7
100.07644	3.1
107.08614	6.0
109.10194	1.4
111.08078	0.9
111.11740	4.0
114.09178	1.6
119.08598	1.2
121.10172	1.1
135.11710	27.3
135.12698	1.3
152.14355	23.6
153.12752	14.2
163.11218	1.8
164.53458	0.7
170.15344	5.3
180.13889	4.8
181.12305	1.3
198.14908	33.8
199.13298	1.7
210.11090	1.7
224.16446	13.9
225.14821	9.4
242.17511	90.3
242.24826	4.4
256.90295	0.9
294.52243	0.8
437.83350	0.7
439.38910	1.0
487.41138	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.8
55.70024	0.8
56.36483	0.8
63.37626	0.8
67.05506	1.5
68.09733	0.7
69.07072	9.8
71.04990	0.9
79.05518	1.1
81.07060	4.2
82.11859	0.9
83.04969	1.0
83.08624	1.5
86.06080	1.0
88.07632	2.0
93.07036	7.3
95.08608	5.3
97.06520	5.0
99.04440	1.1
99.49978	0.9
100.07631	1.9
107.08614	6.3
109.10143	2.2
111.08089	1.5
111.11716	2.2
114.09161	1.9
115.40013	0.9
135.11688	22.5
135.12665	1.1
139.68758	0.8
145.10098	1.0
152.14331	23.3
153.12703	13.2
163.11234	1.8
170.15364	7.2
180.13881	1.9
198.14894	36.4
199.13374	3.3
210.11011	5.7
224.16432	13.7
225.14874	9.0
242.17494	85.5
242.24796	1.9
261.95044	1.0
309.46210	1.1
334.18082	1.0
334.51791	0.9
487.35074	5.8
487.41074	100.0
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
50.88827	0.7
55.05504	0.6
56.95056	0.6
57.03438	0.7
57.07099	1.1
58.38036	0.5
58.86770	0.6
62.06099	0.8
65.12906	0.7
67.05513	1.6
69.07066	8.8
71.04995	1.0
77.38962	0.6
79.05503	3.2
81.07070	3.5
83.05014	0.8
83.08636	1.7
86.06065	1.4
88.07645	1.3
93.07053	4.8
94.70717	0.7
95.08605	4.9
97.06522	6.2
100.07644	1.4
104.07111	1.0
107.08604	4.2
109.10175	3.1
111.08102	3.2
111.11687	1.5
114.09164	1.1
121.10183	1.6
135.11708	25.5
145.10100	1.0
149.13354	0.7
149.37097	0.8
152.14351	20.8
153.12758	14.7
154.69586	0.6
163.11209	2.8
170.15372	6.4
180.13881	3.9
181.12241	1.2
198.14909	32.4
199.13290	1.7
210.10948	1.6
224.16454	11.9
225.14888	9.5
242.17509	80.6
242.24615	1.4
380.05460	0.8
409.79373	0.7
439.38928	0.9
450.91870	0.8
476.21545	0.8
487.41107	100.0
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
52.84951	0.6
54.78345	0.6
57.03437	1.4
57.07077	0.7
60.14881	0.6
67.05507	1.3
69.07066	9.4
71.08628	0.8
79.05505	1.8
81.07067	4.7
83.04970	0.8
83.08633	1.0
85.06516	0.8
86.06088	1.1
88.07655	1.0
93.07050	4.9
95.08598	3.8
97.06530	6.6
100.07638	1.2
107.08585	6.0
109.10159	1.6
111.08095	1.5
111.11736	4.4
114.09203	1.7
121.10168	1.5
135.11705	29.6
145.10172	1.4
152.14345	20.9
152.22156	0.7
153.12732	12.6
163.11215	3.1
170.15398	6.8
180.13866	3.1
181.12172	1.6
198.14899	35.0
199.13217	2.3
210.10997	1.6
224.16434	12.9
225.14836	8.1
242.17503	92.7
242.24843	3.1
439.39432	1.3
487.41101	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98374	1.3
54.29084	1.5
56.05041	2.7
75.72485	1.5
81.07068	12.2
84.04034	3.3
84.04512	67.9
86.09715	6.6
92.21492	1.7
93.07018	3.6
102.05547	50.3
102.06197	2.9
109.06532	22.8
127.07563	2.3
130.05003	42.0
130.06483	15.0
132.08083	8.5
136.07614	2.4
137.05981	52.3
146.06012	17.0
148.06126	6.3
154.08635	8.0
158.08412	2.4
159.07848	3.2
159.09172	100.0
169.07565	1.8
170.05977	3.4
185.07101	3.2
187.08681	2.9
188.07062	50.7
205.09789	8.8
210.11211	3.1
211.08690	2.1
220.09720	2.0
238.10786	8.5
243.10999	2.0
266.10074	1.7
277.13309	7.5
278.11905	1.8
284.11203	8.4
295.14441	26.1
313.15414	17.9
323.13528	2.8
341.14966	16.2
424.18619	6.2
442.14053	3.0
442.19733	47.6
470.19348	34.5
483.42886	2.0
488.20367	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	488.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
60.56647	1.3
61.39602	1.3
61.56104	1.4
61.74601	1.5
63.04700	1.5
67.72677	1.6
70.06597	42.8
72.04481	1.6
72.08163	13.4
84.04515	27.8
84.08146	3.2
85.04024	32.2
86.09710	17.0
90.20038	1.7
102.05549	27.0
110.07151	2.6
116.07096	86.3
118.06536	2.0
127.05064	7.3
129.10242	3.3
130.05040	1.9
130.06529	41.5
132.08092	100.0
137.05971	2.3
143.11844	3.0
158.08504	1.9
159.09187	16.0
169.07594	9.2
170.06058	7.8
171.09184	11.8
172.61267	1.7
173.09230	2.6
181.07503	1.7
181.09700	8.5
184.04286	2.2
185.12898	2.0
187.06999	2.7
187.08669	74.8
196.04422	3.8
198.10243	6.8
199.07126	2.0
199.08725	14.5
209.09186	7.0
216.11330	79.8
226.09769	1.7
227.08232	2.6
227.10249	59.7
244.10829	95.5
244.13341	3.6
245.11317	20.2
256.09308	4.0
279.89139	1.7
306.11469	3.1
335.38184	2.0
373.15030	57.4
399.15979	3.3
470.20349	2.0
479.13043	2.1
488.20493	14.4
504.55719	2.1
507.20630	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	488.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59083	1.3
51.03133	1.1
55.05522	2.3
55.70515	1.3
55.93161	1.3
56.05051	2.8
58.89355	1.4
62.89270	1.4
63.04022	1.3
69.13599	1.5
69.35561	1.5
70.06596	45.9
70.36410	1.3
72.08163	24.4
83.00648	1.4
84.04511	24.6
84.08169	12.8
85.04030	37.4
86.06060	3.1
86.09713	29.8
92.88116	1.4
102.05544	29.6
107.32859	1.4
107.55052	1.6
110.07182	6.9
116.07093	79.0
123.05565	3.4
127.05035	7.4
129.10248	10.7
130.06531	42.9
132.08095	100.0
136.07584	6.4
158.08383	2.4
159.07701	1.8
159.09132	11.7
169.07608	6.3
170.06007	9.6
171.09172	11.5
181.09680	6.4
187.07024	3.5
187.08673	88.7
197.07089	2.0
198.10362	6.6
199.08688	14.9
201.12357	2.9
209.09160	6.5
216.11319	89.5
226.09871	2.9
227.08264	3.0
227.10277	59.8
244.10812	98.8
245.11295	23.0
256.09274	7.5
286.13831	2.7
360.61142	1.7
369.24927	2.1
373.15051	73.8
488.20917	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	489.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68645	0.8
56.05048	61.6
57.83625	0.8
60.04531	1.8
70.04598	1.0
70.06594	5.6
72.04525	53.6
72.08164	5.5
74.06097	1.5
81.07063	5.3
84.04486	1.1
84.08142	2.3
86.09683	5.1
91.87006	1.1
93.07076	1.0
102.05589	1.2
104.21257	1.0
109.06522	13.0
110.07186	1.8
114.05537	6.1
117.06619	18.5
118.05054	2.0
119.04935	1.3
126.09140	12.8
129.10205	1.4
131.08173	2.5
135.07697	2.3
136.07561	11.2
137.05994	100.0
154.08646	69.0
171.11282	17.2
172.09691	11.2
177.08696	40.0
192.10150	1.1
196.09657	1.5
201.12288	1.3
209.12921	2.0
210.11284	7.7
220.09706	4.1
225.12386	4.4
232.44814	1.2
235.10794	4.1
238.10687	4.8
253.11792	20.0
255.13414	2.0
270.14453	7.5
271.12958	2.1
295.12866	1.5
312.15533	17.4
313.13892	14.0
330.16733	8.0
368.18216	1.5
411.18857	8.5
414.18732	4.2
429.19714	8.5
439.30682	1.1
453.19672	2.4
471.14307	2.1
471.20856	36.8
489.21866	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	489.2268
Annotation	Epilumaflavanone A
Peak:m/z	Relative Intensity
52.71093	0.3
59.14244	0.2
69.03455	1.2
70.30168	0.3
79.05491	2.3
81.03428	1.4
83.05010	0.9
85.02893	0.6
93.07050	0.6
93.83902	0.3
95.04951	0.7
102.52518	0.3
103.05468	1.2
105.07034	100.0
119.04940	9.3
121.06551	1.1
143.08563	0.5
200.84041	0.3
229.08643	0.3
249.11214	0.7
293.10065	0.4
330.49878	0.4
369.17007	0.7
383.15039	0.5
489.22629	2.8
489.31671	0.5
500.28897	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	489.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
68.65934	1.4
70.02955	10.0
70.06590	2.0
74.03493	1.3
75.72280	1.2
79.05517	2.0
81.07069	2.2
83.08613	8.7
83.36688	1.4
86.09713	2.4
87.05580	13.6
89.66975	1.5
93.07043	7.5
95.08603	2.6
98.19374	1.4
109.06573	1.6
110.09703	1.6
111.08080	3.7
114.09170	1.8
114.79016	1.4
116.07108	1.6
121.06476	1.7
127.03932	1.8
130.06494	6.2
132.08087	6.3
133.06100	6.1
137.05984	3.6
138.77783	1.3
139.07526	6.1
151.73494	1.3
156.10205	2.9
159.06438	1.6
159.09175	39.4
160.07571	36.2
164.10703	9.2
170.06001	8.6
185.07121	1.5
188.07083	2.6
196.07524	6.0
202.08618	68.4
207.11276	2.1
208.09723	2.0
211.08730	1.6
219.11263	9.3
251.15385	2.2
253.11760	6.4
271.12875	5.7
277.41962	1.6
279.14923	23.5
297.15970	100.0
325.15573	3.4
339.16956	3.6
357.18097	43.0
400.22083	1.9
412.18747	2.1
429.21234	18.7
436.81494	1.7
439.19479	2.1
440.17929	3.0
455.32742	1.7
457.20831	10.8
471.22916	17.4
472.20944	15.7
472.35214	8.6
489.17093	2.0
489.23480	35.9
489.38425	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	489.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06206	1.0
56.05048	10.9
60.05652	2.6
61.73896	1.2
66.44258	1.2
70.06595	25.7
72.04527	2.3
72.08167	10.6
74.06088	2.9
74.59573	1.1
76.05159	1.4
77.95508	1.2
80.17095	1.2
83.49876	1.3
83.94762	1.1
84.04498	2.6
84.08152	7.2
85.12550	1.1
86.09711	11.3
95.06114	1.5
101.07149	1.9
102.05550	1.8
104.55233	1.2
110.07191	2.8
112.08704	11.8
112.22211	1.4
113.07164	2.2
114.05580	1.7
115.08702	6.7
116.07094	4.9
116.89835	1.2
117.78068	1.2
120.06643	1.4
129.10251	6.9
130.04933	2.6
130.09787	1.5
139.07573	5.0
140.08209	2.2
156.10214	11.6
158.09262	12.4
159.07631	1.5
174.11276	2.1
174.16228	1.5
175.11931	14.6
177.08638	10.5
181.09961	1.3
185.16440	1.7
209.78813	1.4
212.12866	2.0
229.12999	1.7
235.47969	1.3
250.15514	17.3
253.15361	3.8
278.14999	8.5
331.19824	10.2
351.92007	1.3
432.24530	14.8
481.90231	1.6
489.26700	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	4.0
55.26898	0.9
56.05042	86.3
64.58566	0.7
67.05496	1.9
69.07059	0.8
71.08620	1.0
72.04516	9.7
74.06059	1.2
79.05480	1.7
81.03419	17.8
81.07040	4.2
83.04978	1.7
83.08632	12.2
84.04499	1.1
84.46239	0.8
91.05476	3.4
93.07015	1.5
95.04962	7.4
95.08585	1.7
97.10159	3.8
98.06030	1.2
99.08079	1.2
102.05539	3.5
105.07015	3.0
107.04964	1.0
107.08564	1.9
109.06493	1.3
109.10130	1.7
111.08073	4.2
117.06586	2.0
118.05009	4.7
119.08553	2.1
120.06544	1.4
121.10111	1.8
125.09615	1.6
129.06982	1.1
131.08463	1.5
133.10080	1.2
135.07620	3.6
140.10698	2.0
147.11674	4.5
149.09679	1.3
157.10106	4.7
165.12660	1.7
175.11174	6.1
177.08658	15.3
177.10004	0.9
177.31015	0.9
179.06577	4.6
193.12225	23.3
194.11742	1.0
211.13280	22.2
213.20018	0.8
268.17548	0.8
293.20972	5.7
433.79559	0.9
471.30392	3.8
489.27847	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00323	3.0
55.05519	5.8
57.03438	13.6
57.07083	64.8
61.28171	2.3
64.98486	2.7
67.05507	21.1
69.03421	2.3
69.07075	17.5
71.01359	23.8
71.05036	2.6
71.08634	63.0
73.02917	20.5
81.07072	28.0
83.08617	24.4
85.02908	58.4
85.10184	41.6
88.16371	2.8
95.01328	6.0
95.08609	56.4
97.02885	15.2
97.10180	14.1
99.00825	2.8
101.02381	6.3
103.03975	6.3
107.08646	3.7
109.10161	23.3
113.02369	21.4
121.10164	2.5
123.11721	11.3
131.03380	12.3
141.01849	28.4
149.04106	3.0
159.02856	4.3
161.13081	3.6
167.96591	2.6
169.05031	3.1
210.11011	100.0
215.05452	11.7
239.23720	28.1
243.15984	3.3
310.97180	3.3
313.27380	54.6
313.31015	3.7
313.32166	2.6
355.28683	8.9
440.19592	3.2
471.29599	13.1
489.30359	81.7
489.36517	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	489.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	12.4
57.07072	5.3
57.09158	1.9
59.05018	2.3
61.02949	2.1
62.08415	2.1
65.79360	1.9
67.05506	18.0
69.03436	5.2
69.07072	43.7
70.06621	2.5
79.05501	13.2
81.03430	2.4
81.07062	100.0
83.08617	19.9
85.02911	27.5
85.06542	29.3
88.61603	2.3
93.07049	34.5
95.08605	80.2
97.02911	5.3
97.06542	3.5
97.10157	5.0
99.08094	26.9
103.14445	2.1
105.07036	5.1
107.08595	47.0
109.10159	48.3
111.08113	2.7
111.11724	8.6
113.09647	3.3
119.08596	11.1
121.10144	54.3
123.11726	26.8
127.03899	5.2
133.10080	3.9
135.11678	18.1
137.13269	19.4
139.11171	10.2
147.11668	5.0
149.13255	37.5
159.11691	3.7
161.13225	5.0
163.14793	17.2
164.51253	2.1
175.14717	2.4
177.16365	28.0
189.16336	3.7
191.17987	3.5
191.98306	2.0
195.17458	21.5
203.17963	3.9
213.18506	72.4
215.98216	2.6
236.81982	3.1
260.70456	2.7
273.25748	4.2
291.26831	41.3
309.27878	21.3
443.12759	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	489.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35418	1.1
53.00319	1.7
54.01152	1.2
55.05519	13.1
57.03439	1.8
57.07076	9.1
59.04995	1.4
67.05509	19.9
69.03421	5.9
69.07071	53.6
71.04991	9.3
74.36846	1.2
79.05498	11.9
81.03419	2.1
81.07060	100.0
82.53237	1.2
83.08618	17.2
85.02911	22.6
85.06538	22.7
91.05459	2.6
93.07047	31.9
95.04976	2.4
95.08606	89.1
97.02898	6.2
97.06524	2.5
97.10159	11.6
99.04516	1.5
99.08096	38.6
99.08730	1.6
105.07019	9.5
107.08592	51.9
109.02869	1.8
109.06568	1.7
109.10156	51.7
111.08083	2.4
111.11716	15.5
113.09669	7.0
119.08577	77.1
119.09438	3.0
121.06558	1.6
121.10143	70.9
121.11016	2.6
123.11697	22.6
125.09612	6.3
127.03919	7.7
127.11169	12.7
131.08519	2.8
133.10133	13.9
135.11691	27.7
137.13268	27.5
139.11186	6.7
143.08560	2.8
145.10149	9.6
147.11656	10.0
148.27367	1.5
149.13243	39.9
151.14803	1.5
157.10143	6.0
159.11699	11.5
160.73305	1.3
161.13170	9.7
163.14854	11.9
167.14233	2.2
169.10141	1.7
170.23077	1.3
171.11646	11.9
173.13257	7.1
175.14792	2.8
177.16377	42.5
183.11708	5.3
185.13214	7.8
189.12720	1.9
189.16403	1.9
191.18005	2.9
195.11609	1.9
195.17464	28.8
197.13234	5.6
201.12701	2.0
201.16458	1.4
209.13322	2.1
209.19099	2.1
211.14853	2.7
213.18475	91.5
215.14328	2.0
221.19011	1.8
223.14926	1.6
225.16223	3.1
230.28531	1.4
273.25903	2.1
291.26785	17.8
297.27847	9.4
309.27875	30.7
327.28830	2.0
375.23712	10.6
376.08420	1.7
377.76700	1.7
391.30057	2.2
417.31360	9.3
435.32516	10.3
453.33517	7.8
471.34564	38.6
489.35992	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	489.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	9.7
56.90695	3.7
57.03466	3.9
57.07074	10.6
61.02934	7.1
67.05500	23.5
69.03430	10.6
69.07080	43.2
71.04967	5.1
79.05487	8.0
81.07066	100.0
83.08625	30.7
85.02911	21.9
85.06562	39.0
86.91158	3.9
88.99262	4.7
89.54800	3.7
93.07040	51.9
95.08607	94.7
96.10789	4.1
97.02885	4.5
97.06522	35.7
97.10172	9.2
99.08094	8.1
105.07022	32.5
107.08606	86.3
109.06525	5.3
109.10138	73.4
111.08090	10.1
111.11711	5.9
119.08567	18.9
121.10161	53.8
123.11707	67.1
125.09655	5.2
127.03937	6.3
133.10138	8.7
135.11697	35.7
137.06015	6.6
137.13271	21.6
147.11690	18.1
149.13272	74.5
154.08188	4.9
160.07475	6.5
163.14809	26.6
177.16356	7.7
189.16331	4.8
191.17976	9.2
202.08571	9.1
273.25824	5.4
291.26733	61.8
297.15942	17.0
306.63797	5.8
309.27927	50.5
327.28851	46.5
472.19907	5.2
489.16016	6.0
489.23044	7.5
489.29047	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	489.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03400	1.8
55.05512	9.0
57.07082	3.9
59.04967	1.7
59.38064	2.1
67.05511	20.8
69.03422	3.5
69.07073	31.7
70.06590	3.0
74.43893	1.9
79.05471	3.1
81.07060	100.0
83.08617	15.1
85.02920	17.0
85.06541	44.5
91.05485	2.5
93.07050	23.5
95.08604	75.7
97.02866	2.1
97.10166	14.8
99.08094	31.7
105.07029	4.3
107.08596	42.1
109.02887	2.3
109.10162	48.7
111.08074	13.9
111.11738	3.7
113.09636	3.3
119.08575	4.7
121.10143	42.5
123.11701	32.6
133.10130	4.0
135.11688	25.6
137.13266	20.0
139.11194	4.4
142.56180	2.2
145.10127	3.3
149.13283	38.6
161.13222	4.0
163.14809	14.7
177.16383	19.5
181.15691	2.6
184.63528	2.5
195.17462	12.1
213.18507	57.2
235.20638	3.0
291.26736	14.1
297.27768	11.1
309.27872	36.7
327.22818	2.9
327.28928	39.7
489.34445	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	489.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.9
57.07071	0.9
67.05508	1.8
69.07066	5.1
71.04997	9.4
72.09187	0.9
77.99998	0.9
79.05517	2.3
81.07057	9.0
82.61214	1.0
83.08613	2.3
91.05447	3.4
93.07056	6.9
95.08607	15.7
97.06515	1.4
97.10136	1.0
99.08068	1.6
105.07027	4.9
107.08604	13.2
109.10153	14.4
117.07059	1.0
119.08579	100.0
121.10159	12.6
123.11702	8.6
123.12512	1.1
125.09634	3.9
127.11194	15.4
131.08554	1.4
133.06451	1.2
133.10129	9.4
135.08076	1.5
135.11731	8.1
137.09654	1.1
139.11182	1.0
143.08621	1.7
143.10699	2.0
145.10139	15.2
147.11699	11.7
149.13199	4.2
157.10155	10.4
159.08022	1.0
159.11682	12.0
161.13243	3.8
163.14777	1.3
169.10112	5.4
171.11676	17.9
173.13165	7.1
183.11656	7.4
185.13261	7.8
185.14706	1.0
187.14856	4.1
189.12682	1.9
195.11678	1.5
197.13327	6.4
199.14828	4.7
201.12811	4.9
201.16425	1.3
209.13217	2.0
211.14795	4.4
213.12683	1.2
213.16396	2.1
215.14342	1.8
215.17917	1.3
223.14784	3.4
225.16380	5.7
227.14136	1.1
227.17973	1.0
235.14821	1.2
237.16315	1.2
253.19540	1.0
257.38812	1.0
265.19559	1.7
284.64050	1.0
291.20926	1.3
331.24316	2.1
391.29984	5.3
399.30673	1.2
417.31470	13.1
435.32590	18.4
453.33688	12.9
471.34705	66.3
489.35739	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	489.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55379	0.6
55.05517	1.6
57.07072	0.8
59.04982	0.6
61.87834	0.6
63.12565	0.5
65.86889	0.5
67.05496	2.8
68.24539	0.7
69.07063	5.5
71.04998	7.6
79.05468	2.6
81.07052	7.2
81.34843	0.6
83.08614	1.6
86.09714	0.9
91.05476	3.5
93.07055	6.7
95.08599	11.9
97.06506	1.3
97.10143	1.2
99.08072	3.2
105.07027	4.9
107.08604	12.9
109.06501	1.2
109.10158	14.2
111.08137	0.9
111.11723	0.9
117.07053	1.1
118.33691	0.7
119.08578	100.0
121.10117	10.0
123.08030	1.2
123.11702	6.7
125.09588	3.4
127.11191	12.8
129.07001	0.7
131.08554	3.5
133.10146	8.5
135.08069	1.2
135.11720	7.8
143.08539	4.2
143.10681	2.7
145.10133	13.6
147.11707	9.4
149.13240	1.7
155.08546	1.0
157.10152	8.1
157.49751	0.7
159.11719	11.5
161.09557	1.0
161.13277	5.0
163.11200	1.6
166.49748	0.7
169.10136	4.6
171.11661	16.6
173.09531	0.9
173.13251	6.8
175.11226	0.9
175.14743	0.7
183.11719	7.9
185.13292	7.0
187.11275	1.5
187.14856	1.6
189.12766	3.6
189.16269	1.3
195.11719	1.2
197.13295	7.1
199.14813	5.1
201.12695	4.5
201.16393	3.1
209.13304	5.1
211.14781	4.0
213.16432	3.3
213.18443	1.6
215.14377	3.2
215.17929	2.8
223.14757	2.9
225.16385	5.6
237.16385	1.2
251.17847	1.1
254.17558	0.7
263.18039	1.0
265.19446	1.2
267.18268	0.7
267.21140	0.9
291.21002	0.7
331.24203	2.8
335.91522	0.8
365.26907	1.1
391.29868	3.0
409.31082	1.1
415.28201	0.8
417.31390	10.1
434.10223	0.8
435.32593	11.4
443.31390	3.1
446.99252	0.7
453.33728	8.3
471.34723	51.4
489.35760	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	489.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65709	1.8
54.41524	1.7
55.05500	3.1
57.03442	2.0
57.07079	2.9
67.05502	9.6
69.07069	16.7
69.95772	2.3
71.04986	13.0
79.05493	3.7
81.07063	38.5
83.08643	4.8
85.02901	5.6
85.06540	8.5
91.05481	2.5
91.83395	2.1
93.07030	20.7
95.08603	34.8
97.02852	2.8
97.10189	3.5
99.08115	9.2
105.07031	10.2
107.08601	26.7
109.10163	32.6
111.11777	2.6
113.09648	2.5
119.08585	100.0
120.37080	2.2
120.56103	2.5
121.10140	27.6
123.08065	3.2
123.11699	17.9
125.09658	4.5
127.03926	3.5
127.11183	18.6
131.08595	3.0
133.10136	14.5
135.11693	15.1
137.13246	5.6
143.08600	3.5
145.10155	15.5
147.11646	10.1
149.13272	20.3
157.10136	5.1
159.11659	15.4
161.13249	3.2
163.14798	4.6
171.11694	17.5
173.13165	3.0
177.16373	8.8
181.10075	2.4
183.11650	3.4
185.13249	5.4
187.14806	4.0
195.17513	4.4
197.13297	8.1
201.12637	3.3
205.16017	2.5
209.13394	3.6
209.41104	2.1
211.14920	2.8
213.18425	17.2
225.16350	2.4
291.26724	18.9
309.27853	8.6
345.90005	2.4
391.29733	5.0
417.31342	13.7
435.32315	10.2
443.31274	2.4
453.33252	11.8
471.34613	49.4
489.35782	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	489.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57521	0.7
52.47015	0.7
60.42723	0.6
62.90379	0.7
64.69018	0.8
67.05534	0.7
92.21173	1.1
95.08606	1.0
122.79695	0.9
145.90506	0.7
157.59853	0.7
165.74600	0.7
182.15399	1.0
210.11009	100.0
242.26111	0.8
247.18134	0.8
277.17160	0.7
302.24405	1.6
359.35016	0.8
489.36600	98.3
491.84317	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	489.3664
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69631	0.8
58.87416	0.7
67.05517	1.2
74.92438	0.6
81.07054	1.1
94.87681	0.7
95.08632	0.9
121.89120	0.7
129.29425	0.8
195.08989	0.8
198.82881	0.8
210.11012	100.0
264.69885	0.8
302.24463	1.2
339.22162	0.8
472.74368	0.9
489.36624	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	490.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42583	0.7
53.03949	4.5
55.01891	6.6
56.92829	1.0
57.03433	1.8
60.10400	0.8
61.02919	4.3
67.46711	0.7
68.99792	0.9
69.03436	17.8
70.06596	5.4
70.48572	0.8
71.04996	2.2
72.08159	4.6
73.02927	7.1
81.03427	19.7
84.08158	2.2
85.02912	51.9
86.09693	6.3
87.00825	21.1
87.04462	0.9
88.03961	1.3
91.03948	1.5
97.02892	24.9
98.06046	1.5
99.04464	13.8
105.01875	16.5
108.04488	5.9
109.02882	24.4
117.01859	1.6
119.04970	7.9
120.90069	0.9
126.05511	3.9
127.03918	40.0
129.01833	3.3
129.10269	1.9
133.06068	1.5
145.04973	15.5
146.59425	0.9
147.02930	3.4
147.04414	11.8
159.02879	18.0
164.09335	0.9
167.95752	1.0
175.03906	46.8
187.10776	1.1
192.04164	4.4
207.06520	100.0
213.03947	4.4
224.03757	4.0
225.07574	52.6
231.05029	10.9
248.07527	6.2
266.08719	4.2
271.09637	1.4
315.64209	1.1
328.11838	1.4
406.23132	0.9
455.11511	4.1
490.19427	1.5
490.26608	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	490.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31838	0.5
53.03948	2.5
55.01878	3.0
55.60853	0.6
61.02934	1.0
68.99781	0.6
69.03431	7.3
70.06583	1.1
70.51663	0.6
72.08162	1.1
73.02927	1.6
81.03420	6.3
85.02910	20.5
86.06056	1.0
86.09708	3.8
87.00840	7.7
87.04472	2.8
91.03972	0.7
91.05487	2.6
97.02898	10.1
99.04456	5.9
104.07130	5.7
105.01862	6.5
107.83318	0.7
108.04479	2.9
109.02895	11.0
116.20955	0.6
119.04942	7.3
124.70501	0.6
126.05527	0.7
127.03912	15.9
129.01898	0.8
129.10255	1.1
145.04971	5.2
147.03226	0.9
147.04396	12.1
157.04024	1.1
159.02908	6.9
175.03903	45.9
192.04155	3.9
193.08571	2.7
207.06528	100.0
221.08069	1.0
225.07567	48.3
231.04890	1.5
249.07576	1.6
266.08798	1.2
267.08652	0.9
271.09763	1.4
315.08469	0.9
328.11810	0.7
490.15347	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	490.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28851	0.6
51.85595	0.7
55.05519	1.1
56.05045	4.1
62.80111	0.8
66.79052	0.9
67.10259	0.9
68.73721	0.8
69.07074	1.6
73.77349	0.8
80.56092	0.9
83.08621	11.2
84.04508	48.0
85.02876	1.1
96.05627	0.9
102.05549	27.9
111.08083	6.3
118.06502	1.2
124.55987	0.9
129.10165	0.9
130.05016	23.7
130.06526	5.5
132.08093	6.1
138.09109	1.6
144.08099	1.5
146.06001	10.9
148.06038	5.6
156.10201	4.7
157.08603	4.4
159.09172	100.0
160.07564	1.2
160.96880	1.0
162.40939	0.9
169.07591	1.4
170.05969	7.4
175.09659	5.9
177.60452	0.9
187.08656	3.5
188.07060	43.2
205.09793	7.4
212.12848	1.3
243.11241	1.0
258.13324	1.9
258.29062	1.0
279.14789	10.1
286.12946	2.9
297.15976	33.5
315.17038	12.8
320.09113	1.7
325.15387	6.2
343.16476	8.6
426.20197	5.3
444.21329	34.7
454.19580	1.2
472.20789	24.9
490.21930	33.6
490.28976	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	490.228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86477	0.3
54.14157	0.3
59.04998	1.8
61.62526	0.3
67.56590	0.3
70.06597	0.7
70.16035	0.3
73.72005	0.3
81.07072	0.3
82.08063	0.3
84.08144	0.5
85.06541	2.4
86.09706	0.5
89.61344	0.3
101.06013	2.5
103.05467	1.7
106.96982	0.3
107.04948	0.4
114.12791	0.3
120.08102	100.0
127.07552	1.9
129.10257	1.3
131.04933	3.9
140.86969	0.3
145.08618	3.0
149.05986	3.2
158.53278	0.3
163.09676	3.8
166.08627	53.6
191.19794	0.3
218.78163	0.3
223.72394	0.3
271.73911	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	490.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.9
67.52886	0.9
69.03439	13.7
76.66898	0.8
79.05490	4.1
81.03442	1.4
85.02914	20.7
87.00829	5.6
89.64452	0.9
91.05464	6.3
93.07030	10.9
95.04956	1.1
95.08611	7.8
97.02884	5.4
97.06528	1.3
99.04436	1.1
105.01870	8.4
105.07033	5.7
107.08596	97.2
109.01733	1.0
109.02878	8.0
109.06517	3.6
119.08607	2.2
121.06520	3.7
121.10146	12.9
123.11673	1.2
124.88030	1.1
127.03937	9.9
127.07567	4.1
127.61715	0.8
131.08565	100.0
137.09593	5.0
145.04971	2.1
145.10162	1.7
147.11670	21.1
149.09612	21.4
156.09354	0.9
159.02898	1.9
171.11702	4.5
189.12740	41.0
207.13820	28.3
213.03943	1.9
231.05045	5.4
244.74539	1.0
249.06050	5.0
291.81412	1.0
393.19171	1.7
405.67047	1.0
419.16986	4.1
437.18063	5.9
455.19128	8.7
490.19345	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	490.228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	12.3
57.03452	0.9
66.71097	0.8
69.03436	2.1
69.07066	1.5
70.06586	5.0
73.06564	8.6
76.98468	0.9
77.63307	0.8
81.03444	1.4
81.07050	1.1
83.04974	1.8
84.04499	1.3
85.02905	13.7
86.09747	1.0
87.00800	1.5
93.07037	1.3
95.08598	1.2
97.02885	5.5
99.04472	1.6
105.01867	5.2
107.08581	2.2
109.02881	4.8
109.06516	2.3
109.10184	1.4
111.08055	1.2
119.08641	1.1
120.08100	1.8
121.10136	4.1
123.08045	9.2
123.11714	4.9
127.03924	8.2
131.08530	1.0
133.10100	1.3
136.07472	1.0
137.09622	6.4
137.84561	1.0
147.11687	6.2
149.02338	100.0
159.02869	1.2
159.09174	5.2
161.06006	4.4
161.13257	3.8
163.11205	1.2
165.12746	34.4
174.10448	1.7
175.07510	13.5
179.14339	1.4
189.12737	5.8
189.16359	3.6
200.12744	1.7
203.07040	20.7
207.13803	20.7
221.08107	6.1
225.14775	1.5
229.15387	2.0
275.12845	4.4
292.81784	1.1
293.13828	51.6
311.14923	1.4
444.21149	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	490.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86667	2.7
53.56424	2.6
53.77940	2.3
62.81489	2.5
65.73125	2.8
69.03447	6.3
70.06594	5.0
70.81394	2.7
72.08138	4.2
76.79501	3.7
77.43716	3.1
81.07053	4.2
83.05054	3.6
85.02915	54.8
86.09692	16.2
87.00837	3.6
93.07031	4.3
95.08603	4.5
97.02874	4.4
97.48533	2.8
105.01832	4.3
105.07053	43.4
107.08623	5.4
109.02862	4.1
109.06512	20.6
109.10170	7.4
116.23238	3.0
119.08583	45.6
120.08128	7.0
121.10161	16.6
123.08081	15.7
123.11708	65.1
127.03884	4.6
129.10263	4.0
131.08571	5.0
133.06415	3.8
137.06003	3.6
140.22174	3.2
145.10118	18.2
147.11694	89.6
148.05191	3.5
151.07640	4.2
152.05669	16.1
159.09183	6.1
174.10355	3.4
189.12743	100.0
207.13786	89.0
225.14848	31.2
324.98151	4.1
440.69525	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	490.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50581	0.9
55.05513	5.5
56.05042	0.9
59.04581	0.8
60.02068	0.9
63.85983	0.8
65.54861	0.9
70.06602	4.6
72.08157	100.0
84.04492	2.4
84.08157	1.3
85.02909	1.2
86.09705	55.3
88.03989	1.6
95.26718	1.0
97.02914	1.4
106.05054	1.1
127.05025	1.3
129.10251	9.0
134.02718	1.7
134.49017	1.0
137.55302	0.9
145.06056	1.2
157.09726	15.4
169.35434	1.1
173.05547	1.8
176.04893	5.5
183.11298	1.9
200.13963	2.4
201.12350	14.7
219.13376	4.2
229.11818	1.8
240.13503	2.2
254.06265	4.7
272.12360	17.0
312.08594	2.1
323.54501	1.0
357.21234	15.9
385.20816	18.9
472.24042	3.7
490.14630	8.3
490.25113	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	490.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65184	1.4
58.34271	1.6
59.05011	100.0
59.05308	3.5
70.06597	3.2
72.97654	1.6
73.06582	2.0
85.57058	1.8
86.09676	6.8
87.04476	8.2
89.06036	82.3
103.07592	73.7
108.76839	1.8
117.09120	2.0
124.03994	2.6
133.08589	24.0
135.42305	2.1
147.10133	17.7
177.11200	11.6
179.17651	2.4
309.47519	2.1
330.27142	1.9
406.33722	2.1
429.27057	2.6
438.21335	2.3
473.29596	68.3
490.26385	4.2
490.32455	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	490.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94869	4.7
56.38512	6.4
67.05518	6.2
69.07094	7.2
79.05508	6.6
79.65530	6.3
80.45822	5.0
81.07069	22.8
82.10877	4.9
91.05479	7.2
93.07040	13.1
95.08639	14.8
105.07040	8.7
107.08609	10.6
109.02923	5.7
109.10175	28.1
119.08570	9.3
121.10197	10.8
123.08105	7.5
127.57432	5.6
131.08530	9.6
137.09538	22.9
145.10147	23.9
146.47104	7.3
147.11707	13.0
149.09634	13.7
159.11700	10.0
163.07616	10.9
171.11760	9.5
173.13261	64.8
187.14764	48.8
193.10083	8.5
205.15826	100.0
215.14325	12.8
233.15332	79.7
251.16302	9.6
304.09750	7.0
311.73697	6.5
321.09976	14.7
336.12201	64.8
419.29480	12.6
437.30472	25.7
455.31628	60.9
490.22403	28.2
490.30865	6.1
490.40768	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	491.19
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34114	0.7
57.03442	0.7
60.15804	0.8
61.00587	0.8
68.78246	0.7
69.03416	0.8
70.06593	7.0
72.08131	3.3
84.08155	1.8
85.02878	1.1
86.09712	2.0
95.04924	0.8
97.02889	1.5
116.98647	0.9
118.87423	0.7
119.03376	2.0
120.01844	0.8
121.10210	1.3
127.03932	4.1
129.10265	1.1
137.05959	1.0
146.80782	0.9
151.03896	2.0
152.04242	1.2
160.82550	0.8
177.00679	0.9
183.14937	0.8
185.15395	1.7
186.12390	0.9
187.14610	0.9
201.00737	0.9
201.07965	1.4
203.09547	1.9
211.06120	1.2
219.01759	3.8
219.09026	1.9
221.10574	1.5
227.09439	0.8
237.02747	7.7
245.10596	5.6
254.80701	0.9
287.11865	0.8
292.21738	0.9
345.12222	1.4
347.13791	16.0
365.14658	9.3
431.15842	12.5
447.19083	4.7
491.18866	100.0
491.24326	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	491.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17077	1.5
55.05522	13.4
56.43245	1.5
57.07080	17.1
67.05517	18.4
69.03435	1.7
69.07069	40.2
71.08619	6.3
73.02929	1.6
79.05508	3.1
81.03423	7.4
81.07060	65.8
83.08624	32.9
85.02914	22.5
85.06547	7.2
93.07041	10.3
95.08613	100.0
97.02911	4.4
97.10159	19.8
99.04438	6.8
99.08096	3.0
100.61636	1.9
107.08579	14.2
109.02885	7.5
109.10152	59.9
111.08052	3.1
111.11729	18.8
115.07587	1.8
119.08625	1.9
121.10145	6.8
123.11702	28.2
125.13272	4.4
127.03891	16.9
133.10149	1.9
135.10765	1.7
135.11642	12.2
137.13272	18.0
140.58914	1.6
149.13266	20.2
151.14809	15.4
163.14790	8.3
165.09018	2.4
165.16374	12.0
169.15799	2.0
177.16353	2.2
179.17892	2.9
189.16423	1.9
191.18135	2.0
214.07430	1.8
225.18501	3.6
249.25662	2.9
275.27344	11.9
281.28558	3.4
293.28387	38.8
311.29453	17.2
329.30463	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	491.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24673	3.0
55.05526	7.7
57.07068	3.5
66.14759	2.9
67.05508	13.9
67.58756	2.9
69.07066	21.1
71.04990	19.8
79.05504	3.7
81.03401	4.0
81.07073	34.7
82.24111	3.0
83.08608	16.6
85.06531	4.1
86.04045	3.1
91.05502	3.9
93.07034	21.1
95.04954	3.7
95.08611	49.8
97.10138	10.7
99.08080	7.2
105.07037	21.6
106.81001	3.3
107.08603	66.3
109.06566	4.3
109.10159	62.2
119.08577	64.1
121.10142	100.0
123.08089	5.9
123.11694	45.6
125.09615	6.9
127.03947	6.2
127.11180	45.6
131.08527	13.8
133.06482	19.9
133.10133	50.0
135.08025	25.8
135.11674	33.3
137.13272	4.8
143.08467	4.2
143.10722	5.4
145.10138	26.8
147.11691	50.1
149.09615	22.8
149.13255	20.6
157.10133	18.0
159.11662	53.6
161.13257	49.3
163.14803	6.1
169.18576	3.5
171.11697	20.8
173.13213	29.3
175.11215	4.3
175.14836	6.0
183.11664	6.3
185.13255	22.2
187.14810	20.5
189.16380	16.5
197.13315	5.5
199.14850	22.5
201.12823	3.7
201.16342	28.4
203.18031	6.0
211.14726	7.2
212.52296	3.3
213.16422	4.2
215.17963	19.2
217.15973	4.1
223.14699	5.0
225.16281	3.4
225.18715	3.4
229.16072	3.2
260.92517	3.4
269.22525	5.0
287.23712	20.7
289.25156	4.1
290.04437	3.1
297.22366	4.4
305.24908	7.9
315.23163	12.7
376.28326	3.6
380.39706	3.9
419.33026	44.5
437.34250	50.0
455.35129	21.1
473.36139	24.4
491.37372	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	492.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46620	0.5
56.08636	0.5
57.03436	2.9
59.05009	0.8
60.04530	0.8
69.03433	18.5
70.06618	4.8
70.06929	0.5
72.08155	1.4
76.05153	0.7
84.04530	0.7
85.02907	11.2
87.04474	15.8
96.05549	0.6
97.02893	16.7
103.05467	11.5
110.07209	0.5
115.03931	13.4
127.03942	0.7
129.10223	0.7
131.04933	100.0
133.04985	10.4
137.06009	0.6
145.04961	0.8
150.07607	4.4
163.07542	39.0
173.12805	0.9
175.07571	0.7
180.08650	0.8
185.12811	0.7
192.10201	2.4
201.12215	0.6
241.07086	0.6
271.87006	0.6
312.12689	1.1
449.70132	0.7
492.22076	0.8
492.26819	1.0
511.06427	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78131	0.4
55.12223	0.4
63.34467	0.4
67.05499	0.6
75.28973	0.5
93.07063	0.6
100.43022	0.5
109.66418	0.5
120.08054	0.8
120.63400	0.5
134.95624	0.5
172.03940	1.0
190.04997	36.8
218.04405	2.5
240.82715	0.6
243.72662	0.5
305.10455	0.7
334.10709	8.7
348.12247	3.0
349.13126	5.9
351.25241	0.8
439.64417	0.6
448.21146	5.5
456.14536	0.9
474.15259	2.3
476.20764	24.5
477.21317	3.2
492.16437	17.4
492.23648	100.0
492.35211	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	492.272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	4.5
61.97684	3.9
62.06103	4.4
67.05503	23.0
69.07061	9.0
70.95460	3.9
71.08641	58.8
77.61023	3.8
79.05491	20.5
81.07056	25.7
83.04945	4.6
83.08617	5.2
91.05477	9.3
93.07037	32.5
95.08625	21.3
97.10145	4.4
98.98487	18.6
99.08096	39.2
105.07075	8.7
107.08608	21.1
119.08582	8.5
133.06462	5.0
133.10149	4.8
135.11694	10.5
139.07678	5.3
142.22563	5.0
146.71637	5.7
151.11191	35.3
161.13240	25.7
163.11140	9.7
179.14316	41.2
190.96634	5.9
193.08565	8.4
194.15353	4.7
241.19359	4.8
251.07588	4.1
277.21576	25.1
279.99045	5.1
320.09116	27.5
336.12354	8.6
351.25278	100.0
431.22031	57.8
449.22974	26.5
474.25989	28.7
488.48495	5.3
492.27499	85.0
492.34235	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	492.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48632	2.4
55.05518	13.5
59.04998	3.7
60.44676	3.0
67.05502	31.1
69.07072	18.7
77.99609	2.9
79.05489	19.5
81.07061	100.0
83.08598	4.4
85.06541	14.7
91.05473	35.1
93.07052	84.1
95.05005	7.6
95.08604	85.3
97.10193	5.4
101.06045	3.7
104.27808	3.1
105.07036	56.3
107.08590	83.9
109.10153	45.1
111.08064	8.0
119.08568	45.4
121.10162	43.9
123.11721	32.1
131.08548	6.9
133.10124	42.7
135.11694	28.1
145.10149	24.4
147.11673	30.9
149.13254	24.3
151.11163	5.4
157.10141	4.8
159.11694	27.1
161.13251	22.1
163.14835	6.8
169.12308	3.8
171.11662	4.8
173.13287	23.7
173.15602	3.3
175.14806	16.1
177.16270	5.1
185.13156	4.3
187.14775	15.1
189.16344	7.8
201.16383	3.8
201.75615	3.4
203.18105	3.7
213.16451	6.0
215.17892	6.3
227.18079	3.9
261.41208	3.5
262.26831	3.3
279.39764	3.4
341.28433	4.7
442.64258	3.5
444.07510	3.1
492.36151	4.3
506.90500	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	493.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42290	0.9
53.03786	0.8
53.03965	14.2
55.01873	5.1
55.05513	5.4
57.03447	1.8
61.02924	4.4
65.97866	1.1
68.99789	1.0
69.03445	20.4
71.04994	5.9
71.48238	1.1
73.02921	6.9
74.76236	1.1
81.03427	47.8
81.07086	1.4
83.04979	1.6
83.08604	1.3
84.08185	1.1
84.60037	1.1
85.02912	57.1
87.00836	25.1
92.21201	2.2
95.04978	1.2
97.02895	42.0
99.04465	26.9
103.03944	14.6
105.01879	22.1
109.02886	97.7
125.16614	1.2
127.03924	100.0
128.17535	1.4
129.01846	11.6
135.08035	2.1
145.04996	18.7
145.27843	1.0
147.02872	2.9
151.07527	2.2
159.02875	17.8
163.06015	4.7
164.75468	1.3
169.04984	1.6
195.07758	1.2
209.11717	1.2
213.03979	13.6
231.05009	27.4
249.06050	6.8
253.07172	1.5
273.05939	2.2
291.07233	9.5
295.11566	1.2
357.07959	4.6
375.09018	6.6
393.10345	8.6
460.21558	1.5
475.18024	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	493.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77697	0.4
55.05518	2.2
64.69392	0.4
69.43099	0.4
70.40383	0.5
71.28818	0.4
72.08159	40.6
82.71333	0.5
120.08105	100.0
124.09281	0.5
133.72600	0.5
158.38560	0.5
162.53993	0.5
164.73431	0.6
166.09450	0.5
171.14899	11.6
174.12790	3.4
199.14426	4.2
219.14917	24.7
247.14430	8.9
250.52202	0.5
253.65126	0.6
254.57138	0.6
267.14932	11.4
273.19675	1.0
295.14465	5.4
301.18976	0.9
346.21274	10.8
394.21295	11.1
448.25784	0.8
462.10165	0.6
465.28854	5.5
493.27930	3.5
509.55444	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77697	0.4
55.05518	2.2
64.69392	0.4
69.43099	0.4
70.40383	0.5
71.28818	0.4
72.08159	40.6
82.71333	0.5
120.08105	100.0
124.09281	0.5
133.72600	0.5
158.38560	0.5
162.53993	0.5
164.73431	0.6
166.09450	0.5
171.14899	11.6
174.12790	3.4
199.14426	4.2
219.14917	24.7
247.14430	8.9
250.52202	0.5
253.65126	0.6
254.57138	0.6
267.14932	11.4
273.19675	1.0
295.14465	5.4
301.18976	0.9
346.21274	10.8
394.21295	11.1
448.25784	0.8
462.10165	0.6
465.28854	5.5
493.27930	3.5
509.55444	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75814	0.3
53.42762	0.4
55.05507	0.4
56.05043	4.6
58.04076	0.5
60.04528	1.6
60.05656	1.6
65.20682	0.3
67.05513	4.4
67.18846	0.4
69.04541	0.6
71.04966	0.6
72.04527	5.4
72.08144	0.8
74.02431	1.9
74.06077	5.8
75.04482	0.6
76.04703	0.8
76.05130	19.7
79.05507	0.7
80.05014	6.3
81.03429	7.0
81.07056	1.7
83.08637	4.6
84.08160	0.6
85.02888	0.5
86.06072	0.5
91.05507	0.8
93.07036	0.5
95.04974	2.6
95.08598	0.7
96.05617	45.8
97.06416	1.7
98.07179	4.4
99.07966	0.9
102.05550	2.3
105.07014	1.5
107.08603	0.6
109.10166	5.9
110.07180	0.6
111.08082	2.1
113.79460	0.4
116.08213	3.3
117.06596	0.5
118.05009	6.1
119.08585	2.8
120.05654	0.8
120.06590	4.5
120.08104	1.0
121.10151	1.6
122.07148	0.7
123.08063	0.5
125.09628	0.9
128.08205	13.9
129.07043	0.9
131.08540	0.8
133.10132	0.6
135.07687	2.3
136.08731	0.6
147.11694	2.9
155.10692	0.5
157.10123	3.2
160.07178	6.0
165.12743	0.6
173.11858	0.5
174.12801	0.7
175.11182	3.0
177.09830	6.7
180.13834	0.5
182.11844	0.5
184.13364	0.4
185.50429	0.5
192.13821	7.7
193.12234	10.5
204.14833	0.8
209.12914	0.5
210.14775	0.5
211.13321	0.8
214.13393	0.8
215.11438	0.4
232.14455	9.4
234.16043	2.2
250.15482	2.0
267.15930	1.5
268.16635	0.6
284.18686	0.9
324.19235	0.5
342.20456	0.8
344.21762	0.7
360.21286	10.4
386.17560	0.4
392.23840	0.8
416.24081	1.4
461.26050	27.0
475.07205	0.5
493.28680	100.0
501.42664	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	493.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	0.8
56.05056	4.1
57.03440	0.9
57.97127	0.5
60.04529	0.9
60.05652	1.0
61.93750	0.5
67.05513	4.5
69.02646	0.5
69.07056	1.0
70.06592	3.6
72.04529	5.2
72.08131	0.9
74.02438	1.2
74.06078	4.8
76.05135	18.0
76.51047	0.5
80.05016	5.0
81.03419	8.4
81.07067	1.0
83.08624	4.1
84.08126	0.9
91.05473	0.8
93.07024	0.7
95.04968	3.0
95.08564	0.6
96.05621	51.8
97.06429	1.1
97.10175	0.6
98.07169	4.5
99.79124	0.6
102.05562	2.4
105.07064	0.9
107.08582	0.8
109.06583	0.6
109.10188	6.0
110.07191	0.9
111.08080	2.5
112.62387	0.5
114.06625	0.7
116.08206	2.7
118.05028	5.7
119.08608	2.3
120.05630	0.9
120.06583	3.3
122.07137	0.9
125.09654	1.0
128.08212	14.1
129.10246	0.9
131.20729	0.6
133.10155	0.8
135.07634	2.3
136.07619	0.9
147.11702	2.5
149.09642	0.6
157.10083	0.7
160.07214	5.9
169.09778	0.8
173.11790	0.7
175.11214	2.9
177.09866	5.8
180.13893	0.6
187.12434	0.6
192.13817	4.1
193.12267	9.1
204.15012	1.2
208.13333	0.8
210.14917	0.8
211.13327	2.6
230.12468	0.6
232.14465	8.2
234.16046	0.9
235.14244	0.8
240.13611	0.6
250.15448	1.3
268.16672	0.9
284.18433	0.7
286.17776	0.8
288.57416	0.5
324.19336	1.0
342.20364	1.0
344.21896	0.8
360.21317	10.4
392.23743	1.9
416.23813	0.7
461.26050	22.9
493.28714	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05631	0.7
56.05037	4.0
56.75294	0.7
60.04531	3.0
60.05647	1.6
65.82507	0.7
65.87196	0.6
67.05505	5.0
67.46592	0.7
69.04577	0.8
70.06593	1.1
72.04504	4.4
74.02435	1.1
74.06074	5.4
76.05127	15.9
79.05508	1.0
80.05009	5.7
81.03424	7.7
81.07045	1.7
83.08611	4.8
86.09727	0.9
91.05485	1.7
93.06998	0.8
95.04979	3.2
96.05618	48.7
97.04011	0.7
97.06413	1.4
97.10184	0.8
98.07175	3.1
102.05546	0.9
105.07033	1.3
108.36359	0.8
109.10175	7.2
110.07145	0.9
111.08082	1.4
116.08247	1.5
118.05003	7.8
119.08572	2.8
120.06592	2.9
121.10177	0.8
122.07146	1.1
123.07976	0.8
125.09626	0.9
128.08200	12.7
129.06985	1.0
130.69179	0.8
133.10104	1.0
135.07788	0.8
142.92570	0.8
149.09695	1.5
152.38405	0.7
157.10155	3.6
160.07147	6.4
175.11220	1.0
177.09814	6.5
192.13843	4.6
193.12245	11.4
214.13574	0.8
217.11797	0.9
229.14397	0.9
232.14401	8.3
234.16045	1.7
250.15468	1.4
262.80856	0.8
268.16739	1.5
279.72845	0.9
342.20447	1.8
360.21222	11.5
365.67151	0.7
374.91687	0.8
392.24023	1.1
461.26074	22.4
493.28647	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07938	0.6
55.05481	0.7
56.05035	3.1
60.05652	1.5
61.91987	0.7
65.27770	0.7
65.47421	0.7
67.05503	4.1
70.06600	0.8
72.04523	6.9
74.06081	5.2
76.05132	23.7
80.05020	5.0
81.03416	11.1
81.07058	1.8
83.06090	0.9
83.08617	5.5
84.05641	0.8
85.43159	1.0
91.05474	1.9
91.80814	0.7
95.04963	3.7
96.05618	38.9
98.07177	1.8
102.05553	1.5
105.07018	1.0
107.08568	1.5
109.10160	4.1
111.08106	3.1
116.08250	1.3
117.06652	0.7
118.04984	6.4
119.08575	3.2
120.06583	3.4
121.10151	0.8
122.07178	0.8
128.08185	12.7
129.06999	0.8
130.06592	0.7
135.07703	3.2
147.11699	3.0
157.10091	0.9
160.07184	11.5
175.11156	4.2
177.09824	9.1
192.13864	4.2
193.12230	14.0
232.14464	6.5
234.15817	0.9
250.15468	1.2
267.15976	1.6
360.21280	8.8
392.23965	3.0
461.26035	22.1
493.28680	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	493.3375
Annotation	Sphingomyelins
Peak:m/z	Relative Intensity
51.60505	0.8
53.00318	1.5
55.03960	1.1
55.05511	6.8
57.03430	5.7
57.07084	69.7
59.19764	0.9
61.02935	1.2
67.05507	19.2
67.13602	1.0
69.03418	2.0
69.07063	13.1
71.04994	1.4
71.08634	65.8
75.04483	1.8
81.03409	4.4
81.07063	31.5
83.08630	24.0
85.02902	6.0
85.10185	43.3
89.06024	2.5
93.07056	1.8
95.08611	46.2
97.02895	2.7
97.10149	12.6
99.11734	1.2
109.02915	1.4
109.10152	25.7
111.11716	2.4
121.10188	1.4
123.11688	9.8
126.99271	1.3
127.03911	7.1
137.13251	2.4
140.83780	1.1
142.85672	1.2
145.04971	2.4
151.14879	1.3
156.71132	1.3
158.40688	1.1
202.98882	1.4
219.92725	1.2
221.22885	1.4
239.23665	36.5
257.24734	5.4
312.26419	1.2
313.27359	100.0
331.28397	25.8
333.40137	1.1
340.91232	1.3
383.27829	7.3
394.13712	1.1
401.28900	19.6
450.13632	1.3
457.32126	1.1
493.32925	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	494.213
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05046	33.7
60.04546	1.1
64.74841	0.9
67.05510	1.3
70.06596	8.5
72.04521	27.9
72.08141	5.2
74.06101	1.8
79.05492	1.2
81.02959	1.1
81.07057	7.5
84.08154	17.8
86.09691	8.2
87.99052	1.0
91.05481	4.9
93.07050	2.2
102.05548	2.1
107.04976	3.9
109.06526	14.2
114.05506	4.5
116.07106	1.2
117.06599	5.2
119.04967	9.8
120.08105	9.3
123.04407	1.7
126.09146	9.8
129.10243	34.3
131.08130	1.2
133.06573	1.2
136.07582	100.0
137.05977	96.6
145.88945	1.0
147.04332	3.2
149.99792	1.0
150.06836	1.0
151.07489	1.5
154.08629	23.3
159.76317	0.9
161.05943	2.4
162.06770	6.1
165.05542	4.3
172.09665	5.4
177.08701	19.9
182.08107	1.8
210.11266	1.8
219.06482	2.2
220.09711	4.2
225.12320	1.6
238.10709	1.8
240.13417	1.7
244.13280	1.5
253.11829	5.7
272.12793	17.8
289.15485	5.9
290.13882	9.7
295.12997	1.2
313.13892	8.7
317.14932	8.3
318.13519	2.2
323.09195	2.1
331.14828	1.3
335.15997	1.9
343.11847	1.4
355.11911	1.7
388.18884	1.7
430.19577	2.2
434.19077	3.5
448.20767	18.8
476.20264	23.6
494.20877	35.5
494.26559	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	494.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15732	2.7
55.05510	5.9
67.05514	8.1
69.03428	7.2
69.07077	7.1
69.75938	3.4
81.03410	14.9
81.07079	12.3
83.08626	35.7
84.08134	3.5
85.02916	27.3
87.00834	8.4
90.46848	4.0
91.05495	16.2
93.07049	8.2
95.04981	6.8
95.08603	4.0
97.02885	23.2
97.06474	3.8
99.04452	21.3
105.01867	5.1
105.07018	19.9
107.08627	11.6
109.02867	14.1
111.08084	17.6
113.05946	4.0
119.08572	6.5
121.02875	100.0
121.10164	4.4
123.04478	3.3
127.03939	25.2
131.08525	5.6
133.10150	42.3
139.03900	21.4
141.05301	4.2
145.05020	6.5
147.11681	23.3
165.12729	13.3
167.07004	3.2
175.11287	5.6
183.13844	3.4
193.12222	28.5
211.11502	4.9
211.13274	37.3
213.03812	3.4
229.14372	35.5
265.07080	12.3
283.08090	17.8
361.91632	3.5
423.16312	8.0
441.17923	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	494.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12541	0.9
53.03959	0.8
55.01876	1.8
55.05507	4.9
57.03447	1.1
67.05495	4.5
69.03425	5.1
69.07065	11.5
71.04989	5.3
73.02905	1.1
78.01782	0.8
80.75954	0.8
81.03431	4.3
81.07069	10.1
83.08622	10.3
85.02434	1.3
85.02908	21.7
85.06543	2.0
87.00833	8.2
93.07053	9.9
95.08610	28.8
97.02876	9.2
97.06534	10.5
99.04456	7.9
105.01882	9.9
105.07023	4.6
107.08587	18.0
109.02872	6.9
109.06509	7.0
109.10159	45.6
111.08067	4.0
111.11718	6.1
115.07575	10.8
119.08560	16.4
120.08122	1.2
121.10136	14.4
123.07970	2.9
123.11704	12.8
125.09613	1.5
127.03926	16.1
127.11233	7.0
133.10130	29.8
135.11694	48.7
137.09639	7.6
139.11150	1.3
145.04974	5.8
147.11702	1.9
149.13245	15.8
151.14845	1.4
153.12718	7.5
159.02908	4.1
165.12764	1.5
165.16338	1.0
175.14824	56.7
177.16394	34.6
185.13298	0.9
193.15884	56.3
211.16925	100.0
231.04967	1.4
249.06108	1.3
352.86649	1.0
391.70587	1.0
423.19965	4.1
441.21405	2.1
459.22235	6.9
473.40353	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	494.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40466	1.2
55.01868	1.3
55.05513	3.0
67.05521	2.2
69.03430	6.5
69.07068	5.3
71.04996	1.9
75.12768	1.2
79.60606	1.2
81.03426	1.5
81.07041	2.9
83.04972	2.5
83.08626	10.2
85.02904	15.7
85.06541	2.6
87.00844	4.5
93.07043	8.0
95.04962	37.9
95.08603	18.3
95.84410	1.2
97.02884	6.7
97.06520	2.3
99.04464	6.0
99.08092	83.8
103.01608	1.2
105.01878	2.1
105.07047	2.3
107.08582	10.1
109.02871	4.8
109.10158	37.6
111.08047	2.5
113.09612	1.9
119.08623	10.6
121.10132	5.0
123.08176	1.5
123.11687	2.3
127.03943	6.5
127.07555	1.8
127.11202	5.9
133.10170	10.2
135.11705	33.4
136.06143	4.9
137.09613	40.0
145.05006	2.1
149.13255	2.6
151.11172	1.6
151.14853	1.6
153.12743	14.1
155.10664	31.2
159.02876	2.2
171.13756	2.8
175.14796	15.8
179.10771	1.6
185.00708	1.4
193.15883	42.3
201.05406	1.4
211.16922	100.0
223.95595	1.4
229.17972	59.3
278.43021	1.5
293.14639	1.2
311.33920	1.4
367.49158	1.5
423.20276	2.0
441.21167	1.6
459.22064	6.3
494.30344	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	494.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45467	0.6
55.05493	0.8
56.05040	4.0
67.05504	3.2
69.07065	1.4
71.53263	0.6
83.80321	0.8
90.04922	0.6
90.41417	0.7
91.05457	1.0
92.17196	0.6
95.08583	1.1
104.36730	0.8
107.08543	1.0
109.10140	7.5
111.11700	0.8
119.08591	0.9
124.11269	0.9
125.09566	0.9
136.11246	3.1
137.09645	4.7
153.13858	5.2
154.12268	100.0
170.11803	0.9
171.14915	19.3
272.20081	4.7
289.22754	8.3
290.21210	6.0
306.20569	1.6
306.25476	3.8
307.23776	45.6
324.21774	3.3
324.26462	6.7
335.12732	0.8
423.16986	0.9
476.34821	5.1
494.35870	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	494.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36410	0.3
55.05516	0.8
55.24937	0.4
56.05051	4.9
67.05505	3.8
69.07069	3.2
70.34228	0.5
74.73134	0.4
79.01968	0.6
79.05502	0.7
81.07051	1.0
83.08623	0.5
91.05483	1.1
92.21550	0.5
93.07035	0.9
93.46971	0.4
95.08613	1.9
97.10159	0.5
102.52198	0.5
107.08562	0.8
109.10152	8.6
111.08094	0.7
111.11718	0.8
119.08585	1.6
121.10132	0.6
124.11240	0.9
125.09650	0.7
135.08058	0.6
136.11230	3.2
137.09618	4.8
145.10109	0.8
149.09674	0.6
149.91725	0.5
153.13892	4.8
154.12271	100.0
161.45177	0.4
164.10725	0.6
168.13873	0.9
170.11749	0.5
171.14926	21.1
172.13278	0.6
173.11815	0.5
185.19839	0.5
207.07103	0.4
256.95593	0.5
260.19891	0.4
272.20081	4.8
278.68951	0.5
289.22784	8.1
290.21136	4.5
305.22141	0.9
306.20569	3.3
306.25360	2.9
307.23801	41.3
308.15048	0.5
324.21475	2.3
324.26428	5.2
341.24332	0.8
410.71521	0.5
458.33615	0.7
476.34848	4.5
477.33371	0.7
494.23123	1.3
494.35803	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	494.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07642	0.5
50.24793	0.5
57.07075	3.2
58.06606	0.7
65.00859	0.6
70.06595	13.5
71.08618	1.1
72.08149	2.6
83.08604	0.6
84.08146	4.6
86.09708	5.0
87.04498	0.8
88.07637	1.1
89.06019	6.6
114.09172	7.6
121.10067	0.6
132.10207	3.8
146.11760	2.3
154.12256	0.7
176.12912	4.7
190.14461	4.7
212.23755	5.3
220.15547	1.5
234.17012	1.3
238.25238	4.6
240.26949	3.0
256.26434	5.2
300.28986	15.8
344.31586	48.5
346.27051	0.8
354.03598	0.7
388.34222	27.6
432.36816	3.0
494.40518	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	3.4
58.06604	1.0
70.06597	15.1
72.08161	1.1
72.82626	0.7
79.77347	0.7
84.04226	0.6
84.08140	4.0
85.10216	0.6
86.09708	4.0
88.07623	0.8
89.06034	8.0
110.50723	0.6
114.09180	7.8
132.10217	1.3
137.15471	0.7
146.11777	3.1
176.12811	4.0
190.14345	4.6
212.23744	5.7
220.15517	2.6
236.80998	0.7
238.25339	6.8
240.26860	2.6
242.76378	0.7
256.26404	3.5
300.28986	15.4
305.28812	0.7
344.31567	47.4
388.34183	30.7
398.64410	0.7
432.36960	2.6
461.34558	0.7
494.40527	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	494.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	1.6
58.06606	0.7
70.06595	13.4
71.08642	0.7
72.08166	3.2
77.87662	0.7
82.54575	0.6
84.08139	5.0
86.09721	5.0
88.07642	1.1
89.06036	7.3
95.08601	0.7
98.43527	0.7
108.08516	0.6
112.21305	0.7
114.09176	5.5
132.10245	3.7
143.48169	0.7
146.11816	1.5
160.78772	0.8
176.12796	5.2
190.14430	3.0
196.09451	0.8
212.23698	4.7
220.15491	2.7
234.17003	1.5
238.25322	5.6
240.26907	3.1
246.34488	0.7
256.26431	3.6
295.55188	0.7
300.28964	18.2
321.25958	1.0
344.31580	49.0
353.26822	0.8
388.34225	28.2
432.36981	3.1
494.25327	2.3
494.40640	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03304	0.6
62.79884	0.6
62.91058	0.6
63.20004	0.6
69.07071	0.6
70.06600	1.2
72.08151	1.3
84.04513	0.7
84.08145	0.8
86.09715	8.9
91.17151	0.7
98.29550	0.7
99.17082	0.7
110.07196	1.2
119.08562	1.1
120.08080	7.1
127.03936	0.8
136.07605	1.0
143.01909	0.8
147.11743	0.8
161.02975	1.1
163.11108	0.9
173.09346	0.8
187.00922	1.0
200.83533	0.7
203.05338	1.0
207.11279	1.1
229.10065	0.7
229.12021	6.6
235.10817	1.0
245.06329	3.7
247.13211	0.9
271.04156	0.9
287.03748	1.7
289.05286	35.2
349.15274	0.8
495.18356	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03131	1.6
54.53157	1.6
56.05046	64.8
56.16209	1.8
58.06627	2.1
59.62073	1.7
60.04527	4.0
60.53346	1.8
70.06596	17.3
72.08131	2.9
74.06081	83.1
82.06561	2.2
84.04515	10.5
84.08154	14.8
86.09703	24.2
101.06529	2.1
101.07150	4.7
102.05585	3.9
110.06084	3.4
120.08102	4.5
126.05516	2.8
127.08674	17.4
129.10255	10.3
130.03249	4.4
130.08667	2.2
132.10228	12.0
136.03946	2.8
136.07555	2.3
140.07097	3.7
143.04478	2.8
145.06099	3.2
153.06544	20.8
155.08206	2.8
169.06303	2.7
169.13348	4.2
171.07686	5.0
175.05360	2.3
181.06068	23.0
187.14417	3.4
189.08733	2.3
191.08591	3.1
197.12909	4.9
199.07123	52.3
199.08839	2.7
215.13988	11.5
217.06476	15.6
217.08321	4.2
233.15070	8.9
236.10329	2.3
238.08270	11.6
243.13583	8.5
245.05811	8.3
256.09186	2.5
263.06955	63.3
263.09528	2.6
282.10767	3.4
300.11975	10.4
346.10440	3.4
364.11728	37.4
386.15836	2.2
431.21375	5.1
459.19394	8.1
477.19995	33.1
494.76901	4.5
495.15399	9.9
495.21356	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	495.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20550	0.6
56.96579	5.5
61.39236	0.6
71.44514	0.7
73.17570	0.7
92.21368	1.5
101.02379	0.7
150.81622	0.7
153.16513	0.7
164.50018	0.7
168.61526	0.8
189.04355	1.3
199.02895	1.1
203.05798	0.8
217.03894	1.2
223.10095	4.7
241.11098	83.6
259.12161	100.0
267.08966	13.5
277.13181	0.9
282.13724	1.4
285.10092	44.4
303.11160	25.9
469.01401	0.7
495.16443	5.3
495.22632	84.7
513.24170	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	495.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36744	0.3
60.04521	0.5
70.06586	0.6
74.21956	0.3
83.06082	0.7
86.09709	2.5
93.04489	0.5
110.07166	100.0
111.05564	0.5
112.03992	0.3
115.80965	0.3
116.07096	2.0
131.48151	0.3
143.25230	0.3
153.63663	0.3
163.09799	1.6
175.32764	0.3
178.13406	1.6
179.09229	5.1
199.92255	0.3
203.09329	0.4
206.12883	0.4
207.08803	1.2
221.10295	4.5
223.15558	4.1
231.08931	0.5
239.11346	5.5
249.09819	18.4
249.92693	0.4
251.15083	0.4
259.11932	2.6
267.10870	15.4
302.12546	0.6
352.19754	2.4
364.37686	0.4
380.19284	25.4
388.45331	0.4
401.09128	0.3
422.35626	0.4
436.88480	0.4
453.20331	1.3
495.11337	0.6
495.25995	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	495.266
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25347	0.6
55.85837	0.6
56.05038	4.3
58.04085	1.2
60.05653	1.2
70.02947	0.7
70.06597	4.3
72.04526	18.2
72.08172	3.9
74.06081	4.6
76.05133	20.1
81.07047	0.8
84.04509	1.8
84.08155	3.4
86.09689	5.7
90.55058	0.7
97.02936	0.7
102.05545	1.4
110.07180	1.4
116.08222	12.5
118.05020	49.9
120.08143	7.0
124.05061	0.8
126.05529	1.0
128.61002	0.7
129.10246	3.2
136.07642	1.5
160.07169	81.4
163.11209	1.5
177.09875	5.8
177.11180	0.7
184.13257	7.1
208.13350	1.1
220.16905	1.2
222.14894	1.3
227.12851	1.2
236.16502	4.9
240.15987	1.5
243.13536	0.8
246.14890	1.7
256.19034	0.9
264.15906	5.4
282.16953	2.7
300.18076	0.9
314.19846	0.9
314.62238	0.9
374.21695	7.0
477.25708	6.4
495.26639	100.0
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
55.01861	4.3
55.05517	16.1
57.03441	18.3
61.02929	18.7
66.56756	3.9
67.05505	34.1
69.03430	20.2
69.07067	20.0
71.04984	7.3
73.02899	8.6
74.96844	3.7
77.09161	3.4
79.05509	28.6
81.03414	7.0
81.07056	43.5
83.04983	5.6
83.08638	5.6
85.02894	32.2
91.03946	9.7
91.05483	27.6
93.07059	37.5
95.08616	37.8
97.02899	18.4
105.07057	41.5
107.04991	5.8
107.08625	36.6
109.02856	4.5
109.06474	4.5
109.10163	32.9
117.07049	8.6
119.08555	37.4
121.06483	4.8
121.10143	33.6
123.07990	4.6
127.03925	4.0
129.07011	15.8
131.08601	29.7
133.06483	5.6
133.10146	31.8
135.11668	17.7
143.08514	14.4
145.10132	34.7
147.11681	30.6
149.05864	4.4
149.09633	6.8
149.13152	5.6
155.08556	6.5
157.10123	25.0
159.11703	24.8
161.13278	7.4
169.10138	8.9
171.11681	20.5
173.09534	6.3
173.13205	28.8
175.11111	8.9
183.11699	9.0
185.09666	6.7
185.13281	9.1
187.14896	7.7
189.12596	4.8
197.13257	8.7
199.14888	6.1
201.12613	4.6
223.14658	7.0
225.04312	5.4
283.20505	5.0
297.21927	5.0
299.06064	4.8
300.06174	18.9
325.21774	5.0
333.24316	16.3
367.22549	8.8
375.25183	4.9
385.24011	6.5
417.26425	6.5
417.31668	6.9
429.26202	5.6
435.32596	8.2
441.26248	25.0
459.27222	21.4
477.28473	33.4
477.34100	5.5
495.29083	100.0
495.34689	14.9
497.06366	4.8
501.58878	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	495.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83790	2.2
55.05513	4.2
56.42237	2.6
57.03439	10.7
61.02928	6.7
61.79721	2.2
61.96862	3.1
67.05499	24.3
69.03408	12.2
69.03763	2.5
69.07062	6.1
71.04990	3.0
71.77783	2.5
73.02919	12.2
79.05488	17.9
81.03412	13.4
81.07063	23.1
83.08600	4.7
85.02919	21.4
91.05475	17.2
92.21544	3.4
93.07045	24.8
95.04960	4.1
95.08590	21.4
97.02895	6.3
97.10162	5.0
105.07028	23.7
107.04959	4.2
107.08602	21.6
107.77924	2.6
109.10167	13.0
112.97694	3.2
117.07020	13.8
119.08571	26.8
121.06454	3.9
121.10123	15.3
124.77278	2.9
125.09637	3.4
129.06995	11.2
131.08580	30.3
133.10107	21.7
135.08067	5.4
135.11707	5.5
141.06883	3.5
143.08563	14.4
145.06477	3.5
145.10138	26.6
147.08130	3.0
147.11717	16.5
149.13258	5.3
157.06494	3.0
157.10138	17.4
159.08031	5.2
159.11725	23.3
161.09566	4.9
161.13206	5.5
163.11301	4.1
169.10034	5.7
171.08141	4.0
171.11713	12.5
173.09601	10.3
173.13261	18.5
175.11182	5.3
181.10100	5.7
183.11687	6.4
185.09583	3.9
185.13271	11.9
187.11157	5.6
187.14807	6.5
197.13205	3.6
199.11201	3.9
199.14839	5.2
201.12726	3.1
209.13210	3.5
223.14725	3.4
238.93358	2.7
259.20657	4.0
301.21530	4.6
325.21735	6.6
333.24445	5.1
349.21680	4.5
367.22751	6.0
375.25345	4.2
385.23865	6.5
417.26154	10.2
417.31302	3.7
429.25912	3.7
441.26315	24.4
459.27322	27.0
477.28290	40.9
493.91385	3.1
495.22818	6.1
495.29144	100.0
495.34879	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	495.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01635	3.1
55.05513	21.0
57.03435	16.8
61.02923	7.4
65.44266	3.2
67.05504	42.0
69.03431	7.9
69.07061	9.1
71.04998	5.6
73.02914	7.9
74.44280	3.8
79.05509	39.2
81.03417	8.0
81.07067	57.0
83.04969	9.5
83.08601	9.7
83.28777	3.7
85.02908	30.9
85.57325	3.9
91.03947	5.6
91.05479	25.3
93.07045	52.0
95.05014	5.8
95.08617	36.3
97.02880	18.6
97.06523	7.0
103.03937	4.5
105.07028	43.4
107.04961	4.1
107.08589	44.9
109.06520	8.4
109.10162	37.2
117.07027	18.9
119.08552	60.2
121.06535	5.3
121.10104	27.5
123.11664	8.6
127.03922	8.7
129.07037	14.7
131.08586	31.6
133.00879	4.0
133.06528	3.9
133.10129	33.3
135.08008	7.5
135.11705	22.5
143.08556	19.6
145.10127	47.2
147.11644	27.0
149.05994	8.8
149.09535	3.7
149.13235	7.1
155.08595	5.7
157.10141	21.6
159.08113	4.8
159.11748	33.4
161.09644	5.1
161.13280	19.8
169.10078	4.8
171.11691	24.7
173.09648	5.0
173.13229	17.5
175.11147	5.0
175.14746	8.7
178.85692	3.7
183.11737	9.1
185.13229	8.7
187.11166	5.3
187.14796	16.8
195.11720	7.1
197.13310	18.2
199.11053	4.2
209.13216	5.9
211.14847	7.2
215.14377	7.6
225.16414	7.7
227.17867	5.4
233.15334	24.4
257.19159	4.1
259.20563	4.4
277.21664	5.9
323.30212	4.3
333.24191	6.5
363.25406	4.9
397.27264	5.5
403.25293	5.8
417.26233	5.8
417.31601	14.8
435.32556	14.8
441.26364	17.0
459.27301	20.1
477.27847	31.4
477.33954	17.5
495.28784	100.0
495.34909	50.3
495.91537	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	495.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	3.9
69.07068	9.4
72.66016	1.9
74.64417	2.1
79.05488	2.9
81.07071	13.7
83.78731	2.2
93.07046	5.2
95.08599	14.9
102.51611	2.2
105.07037	9.3
107.05002	3.1
107.08589	17.7
109.10164	24.7
119.08570	15.2
121.06470	2.9
121.10151	9.6
131.08566	11.0
133.06514	2.7
133.10181	8.0
135.04411	29.6
145.10156	27.6
147.11700	9.7
149.06000	52.0
149.13283	4.6
159.11708	9.5
161.13287	5.5
163.07471	2.3
169.10107	2.5
169.12222	2.1
171.11795	2.7
173.09695	3.8
173.13286	4.0
175.11165	12.0
175.14774	5.0
177.09074	4.2
185.13281	10.1
187.14821	42.0
201.16310	3.2
205.15804	3.0
215.14354	12.0
229.15833	3.5
233.15384	33.4
267.17514	2.6
269.06720	2.8
368.18539	2.3
395.43176	2.3
417.31308	4.4
435.32516	18.8
437.30261	3.8
477.33603	16.8
495.34692	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3464
Annotation	Auricularine
Peak:m/z	Relative Intensity
55.05505	1.2
60.07068	1.1
67.05502	6.7
69.07067	6.8
79.05497	5.4
81.07057	10.9
83.08646	1.3
87.16343	1.0
91.05465	1.7
93.07043	6.7
95.08606	12.3
105.07036	7.9
107.04924	1.5
107.08590	14.1
109.10150	22.3
116.34967	1.2
119.08578	12.9
121.06470	1.9
121.10150	12.2
123.08070	1.5
123.11766	1.8
127.88921	1.2
127.96643	1.2
131.08540	12.4
133.06396	1.2
133.10135	6.8
135.04434	26.9
135.08044	2.0
135.11710	2.4
143.08597	1.7
145.10118	24.3
147.11667	9.1
149.05980	55.1
149.13263	5.1
151.14789	1.2
156.09332	1.2
157.10139	5.3
158.52084	1.6
159.08041	1.4
159.11682	9.9
161.13319	5.0
163.07513	2.9
168.01534	1.6
169.10081	1.6
171.11665	4.7
173.09625	2.3
173.13217	2.7
175.11163	11.4
175.14796	5.7
177.09171	4.6
183.11693	1.6
185.13293	5.1
187.14813	36.1
189.16455	1.6
195.11653	1.4
197.13274	1.9
199.14873	2.4
201.16380	1.4
203.14343	1.3
205.15907	2.0
211.14908	2.5
215.14368	11.7
221.13466	1.4
225.16348	2.0
229.15759	1.9
233.15335	35.6
241.15814	1.8
267.17484	1.6
359.27155	2.6
397.27087	1.8
417.31342	8.8
435.32617	22.4
437.30460	5.8
477.33618	12.7
495.34653	100.0
510.85620	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	495.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	4.0
61.30534	1.6
65.49075	1.6
67.05506	25.3
68.00433	1.5
69.07068	11.1
79.05504	3.6
81.07059	23.2
83.08605	2.1
91.05474	3.4
93.07056	15.8
95.08615	26.5
100.27840	1.9
105.07037	13.7
107.08605	16.1
109.06523	3.0
109.10155	80.5
116.24068	1.7
117.07107	2.0
119.08565	19.4
121.06619	2.0
121.09425	1.8
121.10115	13.7
123.08070	3.6
123.11713	3.8
129.80153	1.8
131.08585	9.1
133.10152	16.2
135.04453	3.5
135.08061	3.6
135.11702	3.2
135.69209	1.6
139.14320	1.8
143.08614	2.5
145.10129	23.7
147.08063	7.7
147.11700	13.3
149.06041	9.9
149.09624	7.2
149.13278	7.7
151.11185	2.6
157.10175	11.0
159.07982	1.9
159.11703	9.6
159.18263	1.7
161.09567	2.4
161.13287	7.4
165.72989	1.6
169.10167	7.1
171.11745	9.6
173.09586	2.2
173.13284	8.1
175.11224	9.7
175.14838	7.6
177.12689	2.0
183.11691	4.0
185.13251	4.1
187.11232	3.1
187.14803	17.5
189.12773	2.7
191.10652	2.3
197.13310	3.1
203.18192	1.7
209.13351	3.5
211.14848	2.4
213.16391	7.5
215.14352	8.2
215.17981	1.9
223.14812	3.0
225.16382	15.7
231.17517	2.1
233.15367	15.4
237.16373	2.5
239.17957	4.4
241.15981	2.1
251.17975	9.1
253.19582	2.8
267.17502	2.4
309.22134	2.8
335.23605	2.6
361.24283	1.9
397.27087	3.0
399.30234	3.7
417.31506	27.5
435.32666	23.4
477.33484	16.5
495.34680	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	3.5
56.17051	2.5
57.07059	2.7
57.31662	2.6
62.78829	2.5
67.05509	22.8
69.07061	24.9
69.58205	2.6
73.47079	3.0
75.19940	2.6
79.05472	12.8
81.07052	27.0
83.08607	4.8
91.05453	10.1
93.07034	20.9
95.08604	42.2
97.10140	3.1
101.98588	2.5
103.86106	2.9
105.07032	20.8
107.08587	27.2
109.06564	4.6
109.10163	71.8
117.07001	3.1
119.08574	29.6
121.06524	3.2
121.10117	23.4
123.08105	3.1
123.11712	7.0
131.08543	17.6
133.10112	23.4
135.08052	4.0
135.11679	19.0
137.09569	9.9
137.13324	3.7
143.08549	11.4
145.10153	24.0
147.11685	22.2
155.08548	4.1
157.10121	15.6
157.17511	2.9
159.11702	20.9
161.13239	13.0
169.10150	14.9
171.11716	14.9
173.09645	3.8
173.13280	15.2
175.14830	26.1
177.69414	2.8
181.10110	5.7
183.11671	12.0
184.13393	3.3
185.13271	12.0
187.14848	19.7
195.11729	11.9
197.13309	11.0
199.14838	6.0
200.23782	5.1
207.11777	4.2
209.13251	7.0
211.14815	5.5
213.16350	5.6
223.14771	3.8
225.16418	4.6
237.16428	3.8
239.17842	4.1
241.19521	5.8
251.17900	4.4
263.18015	4.7
265.19461	4.6
279.21329	3.1
291.21158	3.9
305.22580	6.6
322.27457	3.4
324.71466	4.3
331.24054	3.6
365.24670	16.3
367.25696	3.3
387.30447	5.8
391.26193	14.5
413.26880	5.2
417.31403	16.6
423.30499	3.8
435.32642	41.4
447.32687	4.5
477.33585	20.4
477.39859	4.0
495.28058	6.3
495.34628	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3466
Annotation	Auricularine
Peak:m/z	Relative Intensity
55.05517	3.2
60.07241	2.2
61.47264	2.1
67.05502	12.9
69.07053	6.2
69.60319	3.1
77.66425	2.2
79.05457	2.4
81.07069	24.7
83.08649	2.8
86.18858	2.2
93.07035	3.3
95.08582	19.7
105.07023	14.4
107.08614	18.4
109.10156	45.0
116.64347	2.3
119.08566	24.0
121.10142	11.8
131.08582	11.8
133.10133	13.8
135.04449	4.6
135.11711	10.1
139.71436	2.5
145.10127	22.5
147.11685	14.5
149.05983	16.2
149.13280	4.7
157.10080	8.6
159.11681	11.1
161.13260	5.8
169.10072	3.5
171.11678	8.8
173.13278	5.3
175.11150	15.9
175.14772	10.1
185.13260	5.9
187.14830	29.2
189.12723	4.4
197.13237	2.7
199.14893	4.9
207.34537	2.4
209.13245	3.3
211.14810	6.1
213.16537	2.8
214.53151	3.0
215.14319	11.5
223.14801	2.5
225.16414	5.2
233.15300	27.7
237.16199	3.1
241.15952	4.1
298.09061	2.8
379.26068	3.6
390.51801	2.7
397.27512	5.2
417.31476	14.2
435.32773	19.1
437.30093	4.6
477.33780	22.8
495.23697	3.0
495.34689	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	2.7
67.05524	6.0
69.03441	2.6
69.07089	5.4
70.76747	2.5
75.33068	1.8
79.05477	3.1
81.07060	27.4
83.08639	4.0
93.07065	13.2
95.08595	26.0
99.08104	2.6
103.88842	2.5
105.07066	15.3
107.08606	28.1
109.06520	2.5
109.10155	31.3
111.08099	2.8
119.08572	23.8
120.25526	2.4
121.10153	11.0
123.11721	10.7
128.89259	2.3
131.08580	9.4
133.10126	19.3
135.04440	3.7
135.08072	3.0
135.11739	5.1
145.10158	25.5
147.11665	17.6
149.05997	3.4
149.13286	5.6
157.10210	2.7
159.11736	14.8
161.09679	2.9
161.13277	14.4
164.16272	2.4
167.70041	2.6
169.10159	5.8
171.11691	8.8
173.09642	4.9
173.13293	13.8
175.11185	18.6
175.14850	11.3
183.11639	2.8
185.13245	10.2
187.14789	27.6
197.13304	4.2
199.14862	3.4
203.14127	2.9
211.14960	3.8
213.12685	3.0
215.14369	19.8
225.16483	9.1
227.17838	4.0
233.15366	40.5
239.17816	2.9
245.66087	2.6
267.17249	3.7
274.52475	2.5
335.70453	2.8
359.27661	4.1
397.27219	3.4
417.31561	22.4
435.32614	19.4
437.30478	3.2
477.33673	25.3
495.28241	5.3
495.34778	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	3.0
59.64207	2.0
67.05502	21.4
69.07069	15.7
79.05498	4.8
81.07069	28.8
91.05463	2.9
93.07014	14.6
95.08626	28.5
99.08109	4.6
105.07041	15.6
107.08594	25.3
109.10150	56.3
119.08579	33.5
121.10146	21.2
123.11697	8.6
125.09609	2.4
125.82771	2.0
131.08557	10.8
133.10121	14.9
135.04474	3.7
135.08066	2.7
135.11693	12.5
137.13318	2.4
143.08615	3.2
145.10098	25.5
145.11023	1.9
147.11665	16.1
149.05995	8.2
149.13277	7.6
157.10153	13.2
159.11705	12.8
161.09630	2.5
161.13338	6.7
163.07550	1.9
171.11642	15.2
173.09702	6.6
173.13268	13.0
175.11162	17.9
175.14835	9.6
183.11731	3.4
185.09645	2.3
185.13330	8.2
187.11150	3.4
187.14798	29.0
189.12704	2.9
189.16476	4.3
195.11861	2.0
197.13271	4.2
199.11272	2.0
199.14871	3.4
201.12704	2.4
201.16393	2.2
209.13246	3.5
211.14818	3.3
213.16254	3.2
215.14368	14.3
223.14864	7.8
225.16310	7.1
227.17937	4.3
233.15369	28.1
239.17963	2.8
241.15921	2.1
251.17883	3.7
267.17465	2.9
329.21643	2.3
346.59280	2.1
359.27570	2.7
389.31915	2.4
397.27362	9.4
399.30267	2.5
417.31290	22.1
435.32474	25.8
437.30334	3.9
477.33621	31.1
495.34665	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	8.2
60.87324	1.6
67.05512	25.4
69.03445	1.9
69.07078	17.0
71.08619	2.5
79.05496	7.9
81.07065	34.1
83.08628	3.8
91.05479	3.5
92.20961	1.8
93.07048	21.2
95.08613	30.4
97.10175	1.9
99.08078	4.3
100.11253	4.1
102.89262	1.8
105.07055	14.8
107.08604	27.6
109.10156	61.9
111.08075	2.4
117.06997	1.9
119.08578	38.8
121.06443	2.1
121.10162	19.6
123.08080	3.1
123.11727	10.6
125.09672	2.2
131.08571	16.1
133.10153	27.7
135.04417	3.8
135.08035	3.5
135.11705	10.7
137.09587	2.6
137.13283	2.8
142.18839	1.7
143.08540	3.7
145.10136	32.4
147.08113	2.9
147.11676	18.2
149.05991	11.8
149.13255	7.7
155.08578	2.4
157.10156	11.8
157.35884	1.7
159.11717	13.9
161.09657	2.1
161.13261	7.5
163.07535	2.0
169.10118	9.9
171.11636	13.8
173.09648	7.1
173.13278	12.8
175.11197	12.6
175.14799	8.9
185.13223	10.5
186.56032	1.7
187.14819	28.5
189.12936	1.8
194.47629	1.8
195.11746	3.3
197.13278	8.2
199.14807	4.0
201.16310	2.3
207.11687	2.7
209.13283	3.1
211.11229	2.4
211.14795	3.2
213.16377	2.9
215.14326	12.6
223.14804	8.3
225.12700	2.5
225.16449	9.2
227.18011	3.1
229.15936	1.9
233.15306	20.2
237.16252	1.9
239.17894	2.5
241.15930	8.2
249.16302	3.1
251.17906	2.2
267.17407	9.0
269.19025	8.6
281.19043	2.7
291.21292	3.2
309.21957	2.1
313.21777	2.0
313.92838	2.3
335.23889	2.1
337.25281	2.8
359.27682	1.9
397.27341	8.8
417.31586	23.5
425.41812	2.1
435.32645	21.1
475.20914	2.1
477.33618	32.2
495.34589	100.0
496.68353	1.8
514.97406	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	495.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63385	2.2
55.05493	1.8
57.07062	2.3
67.05501	9.5
69.07069	7.3
73.84822	1.8
79.05526	2.5
79.71203	1.7
81.07056	13.3
83.08631	7.2
86.06107	2.3
88.40179	1.8
93.07022	4.0
95.08599	9.4
96.73364	1.9
97.10163	4.0
100.07635	1.9
101.41616	2.0
102.30984	1.9
105.07056	2.8
107.08588	4.6
109.10149	9.2
110.47424	2.0
114.09179	3.3
125.38662	2.0
135.11703	17.3
152.10815	2.0
152.14316	12.5
153.12772	15.6
168.53728	2.1
170.11801	17.7
170.15317	4.7
180.13922	2.1
188.12740	2.8
198.14899	100.0
216.15919	37.1
280.26291	19.8
517.55017	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	496.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05829	1.5
56.05046	42.8
62.29498	1.4
65.47472	1.3
66.22362	1.6
67.39684	1.6
69.07052	1.9
70.06590	7.8
71.42106	1.6
72.04508	24.2
72.08157	6.7
74.06087	1.6
76.05121	3.2
83.08611	3.7
84.08142	6.6
86.09701	3.9
91.05470	1.8
96.05614	2.5
110.07158	6.4
111.08078	2.3
114.05547	2.1
117.06596	3.6
118.05016	2.4
119.04935	2.7
127.49245	1.5
129.09216	1.5
129.10240	2.2
135.07674	2.1
136.07581	100.0
137.05989	3.6
137.07954	1.9
138.06352	3.0
138.09186	2.7
138.24127	1.8
139.07518	16.2
147.58714	1.6
154.08675	2.1
156.10197	36.6
157.08658	2.9
157.55344	1.5
165.05411	1.9
174.11302	10.4
175.09677	2.0
177.08658	27.8
177.09978	2.1
182.08096	2.4
212.12794	2.0
227.14046	1.8
255.13252	3.0
256.13190	2.3
268.39618	1.9
274.14322	25.8
291.17029	6.3
292.15302	2.5
315.15591	7.3
319.16452	9.1
337.17627	2.5
375.19116	1.9
421.19360	2.6
426.36987	1.9
432.21036	2.8
436.20541	2.6
450.22305	25.0
464.26611	2.2
478.21750	37.7
496.22693	37.9
496.29276	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	496.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94281	0.8
53.03954	1.2
55.01881	1.4
55.05517	2.7
57.07079	7.2
67.05509	7.7
69.03442	11.0
69.07078	5.2
71.04990	5.1
71.08633	15.8
73.02921	1.7
75.65089	1.0
75.70712	1.1
79.05502	11.2
81.03435	10.0
81.07068	14.5
83.04977	4.6
83.08612	6.3
85.02905	35.9
85.10181	47.2
85.10663	2.3
86.09694	8.1
87.00831	10.0
93.07035	12.5
95.08617	11.9
97.02888	10.3
97.06541	2.6
99.04450	5.2
99.08097	25.9
103.03912	1.7
105.01871	9.1
105.07043	2.3
107.08611	7.9
109.02872	14.3
109.10181	1.2
113.06011	1.9
113.09644	100.0
119.08587	5.0
121.10143	5.8
123.11729	7.3
125.06030	2.0
126.24178	1.1
127.03925	19.8
131.10606	1.2
133.10178	1.9
135.08052	2.2
135.11693	19.2
137.13217	1.3
139.07513	2.7
140.20340	1.2
145.04962	4.6
147.11696	19.7
149.13231	13.6
149.68480	1.2
151.11200	14.8
153.12721	1.2
159.00790	1.1
159.02876	5.4
159.11739	1.2
165.12729	7.7
167.08455	1.3
167.14305	17.7
177.12737	7.6
179.93947	1.1
195.13789	20.4
213.03932	2.7
213.13391	1.4
213.14853	35.2
231.05054	4.5
231.15903	43.2
231.18210	1.6
241.14264	2.3
267.15891	7.3
285.16956	23.9
321.16870	1.8
354.27539	1.4
358.08698	1.2
407.16397	2.0
425.18042	25.5
443.19016	18.1
461.20157	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	496.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94281	0.8
53.03954	1.2
55.01881	1.4
55.05517	2.7
57.07079	7.2
67.05509	7.7
69.03442	11.0
69.07078	5.2
71.04990	5.1
71.08633	15.8
73.02921	1.7
75.65089	1.0
75.70712	1.1
79.05502	11.2
81.03435	10.0
81.07068	14.5
83.04977	4.6
83.08612	6.3
85.02905	35.9
85.10181	47.2
85.10663	2.3
86.09694	8.1
87.00831	10.0
93.07035	12.5
95.08617	11.9
97.02888	10.3
97.06541	2.6
99.04450	5.2
99.08097	25.9
103.03912	1.7
105.01871	9.1
105.07043	2.3
107.08611	7.9
109.02872	14.3
109.10181	1.2
113.06011	1.9
113.09644	100.0
119.08587	5.0
121.10143	5.8
123.11729	7.3
125.06030	2.0
126.24178	1.1
127.03925	19.8
131.10606	1.2
133.10178	1.9
135.08052	2.2
135.11693	19.2
137.13217	1.3
139.07513	2.7
140.20340	1.2
145.04962	4.6
147.11696	19.7
149.13231	13.6
149.68480	1.2
151.11200	14.8
153.12721	1.2
159.00790	1.1
159.02876	5.4
159.11739	1.2
165.12729	7.7
167.08455	1.3
167.14305	17.7
177.12737	7.6
179.93947	1.1
195.13789	20.4
213.03932	2.7
213.13391	1.4
213.14853	35.2
231.05054	4.5
231.15903	43.2
231.18210	1.6
241.14264	2.3
267.15891	7.3
285.16956	23.9
321.16870	1.8
354.27539	1.4
358.08698	1.2
407.16397	2.0
425.18042	25.5
443.19016	18.1
461.20157	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	496.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20923	0.8
57.03439	2.2
65.43164	0.7
65.95611	0.7
66.10064	0.7
67.05499	5.6
69.07066	6.0
79.05497	2.0
81.07059	25.4
83.04974	1.7
83.08630	2.1
85.02897	1.8
85.06516	1.7
91.05470	6.7
93.07032	2.0
95.08615	3.8
97.06541	3.6
99.08078	1.5
105.07037	12.2
107.08611	7.4
109.06526	3.7
119.08572	11.6
121.10116	11.8
123.08102	2.1
123.11696	22.4
127.07518	2.0
133.10127	1.1
136.63063	0.9
137.09586	1.1
137.13228	2.9
141.01797	6.8
147.11688	68.0
157.10097	1.7
165.12759	32.0
165.14114	1.0
169.43298	1.0
175.11095	3.8
183.13759	1.5
193.12224	2.0
221.70303	1.0
229.14432	3.6
267.15915	48.2
270.35107	0.9
272.31192	0.8
285.16956	100.0
303.18039	3.4
320.57010	1.0
443.18872	2.0
461.20096	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	496.3396
Annotation	1-Palmitoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
53.10801	0.7
60.08171	4.1
61.45627	0.8
67.05501	1.0
69.07073	0.8
81.07045	1.9
83.08600	1.2
86.09714	15.0
93.07013	1.2
95.08615	1.7
98.98494	1.0
104.10772	1.3
125.00008	9.9
128.34636	1.0
182.96965	0.8
184.07335	100.0
198.14830	1.2
496.34216	11.7
496.40613	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	496.3395
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
54.76726	0.8
57.07083	1.8
58.06612	0.8
60.08171	11.8
71.07381	1.7
71.08643	0.9
86.09707	33.2
88.36652	0.6
95.08624	1.7
95.52653	0.7
96.66313	0.8
98.98469	1.4
104.10746	84.9
124.99991	13.9
169.84990	0.8
184.07335	100.0
258.03085	0.8
313.27310	1.2
317.18311	0.8
344.43454	0.9
405.77036	0.8
458.16672	0.9
478.32761	5.9
496.33987	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	496.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14796	1.2
54.15011	1.3
57.07085	33.9
69.07068	4.1
71.08633	36.6
73.06548	3.5
83.08658	2.4
85.10185	19.9
89.06030	100.0
97.10145	2.3
117.09230	1.7
127.14879	1.8
131.04553	1.7
133.08606	26.3
177.11208	11.0
271.08072	1.8
283.17624	13.8
285.27762	6.6
329.30743	3.3
413.73358	1.9
479.32779	3.4
479.39420	90.0
496.42053	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	497.107
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	0.6
70.06598	3.5
72.08145	1.4
84.04552	0.8
84.08143	3.1
86.09698	4.8
99.82664	0.6
101.77740	0.7
102.05595	0.8
110.07167	30.6
111.06862	1.0
111.07504	9.5
112.07808	0.7
116.07097	0.8
129.10263	1.0
130.03218	0.7
161.06027	1.4
165.07988	0.6
177.03392	0.8
187.10590	0.6
193.08551	0.7
219.01790	1.6
219.04256	0.6
223.10954	0.7
225.09827	0.6
237.02849	1.5
240.11519	0.8
249.09918	1.5
250.10100	3.2
251.10307	2.7
267.11099	2.8
268.11029	0.8
269.11554	1.2
380.19244	1.4
381.19403	1.6
382.19821	7.0
429.10751	1.3
453.11563	4.8
497.10596	100.0
497.16443	4.0
497.26273	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	497.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38654	0.5
88.29876	0.6
111.04132	0.6
129.05135	1.3
143.01878	4.9
147.26778	0.6
154.03571	0.8
155.01924	3.3
161.02995	3.9
167.01915	0.8
171.06154	1.4
172.04529	5.6
173.02921	1.9
173.04134	16.4
185.02937	9.5
190.05653	1.0
191.05096	8.6
196.04630	1.0
197.02742	0.9
197.04256	1.2
198.02512	3.3
200.04568	0.7
203.03984	2.4
208.04543	0.8
215.05142	100.0
216.03564	3.3
220.33356	0.7
226.05522	0.8
227.05179	18.7
229.06821	0.7
233.06180	1.3
239.05173	8.5
245.04967	20.9
251.05144	1.0
257.05389	1.1
259.48349	0.7
263.06128	3.3
269.06482	0.8
275.07318	7.6
299.07257	0.9
299.99924	0.7
317.08331	11.5
329.03513	0.6
335.09396	13.3
365.09448	0.7
377.10452	3.8
407.11682	0.7
497.14697	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	497.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	0.9
62.56678	0.8
63.01262	0.8
67.05518	1.0
70.06589	5.6
72.08155	2.5
72.76230	1.0
78.65421	0.9
81.03448	1.2
81.07062	1.7
83.08606	1.1
84.08177	1.6
85.02930	2.1
86.09718	5.4
91.05484	1.3
93.07030	1.1
95.08578	1.7
98.82446	1.0
99.04482	2.1
110.07165	4.4
118.06514	2.4
119.08540	1.4
120.08111	6.3
121.10157	1.5
127.00120	1.5
127.03932	1.3
130.69333	1.1
133.10149	1.4
136.07599	6.3
146.06020	27.2
147.11673	1.6
149.09535	1.0
155.14310	1.6
157.10144	1.4
159.45177	1.1
165.05511	2.1
167.14291	1.2
175.11223	1.5
182.08173	1.5
193.12224	4.7
214.00850	1.1
217.09792	12.0
227.05322	1.2
249.14575	1.3
271.04303	1.0
285.17001	1.8
289.05435	2.2
411.19824	6.7
453.20914	7.0
497.19885	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	497.2358
Annotation	Glaucarubin
Peak:m/z	Relative Intensity
51.32569	0.4
53.28253	0.4
54.27550	0.5
70.06592	3.8
72.08162	0.7
72.41278	0.5
84.08170	1.0
86.09725	2.3
110.07150	4.1
120.08144	1.2
129.10291	1.0
136.07613	0.7
159.09167	0.6
159.34297	0.5
190.78790	0.5
271.33432	0.6
458.70834	0.5
497.23727	100.0
501.31207	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	11.5
57.03436	10.0
60.05645	2.8
67.05501	12.6
67.13152	1.7
67.45670	1.8
67.88259	1.8
69.07072	9.2
70.06644	1.9
71.04980	3.8
71.08620	11.6
72.60209	1.5
74.06047	1.7
76.05113	2.5
79.05492	9.8
81.03435	26.7
81.07069	12.4
83.04982	2.6
83.08635	20.0
83.15070	1.9
85.02923	9.4
91.05478	7.3
92.63364	1.6
93.07027	12.7
95.04964	18.4
95.08586	3.8
97.10164	4.2
99.08103	9.5
105.07019	4.2
107.04974	2.1
107.08588	10.5
109.06499	3.0
109.10158	9.3
110.05377	1.8
111.04480	2.2
111.08058	2.5
112.99211	3.7
113.00013	100.0
114.09149	1.9
116.08220	8.6
119.08563	9.1
121.10163	7.6
123.07956	2.3
125.09641	11.0
129.07031	2.3
131.08572	3.4
133.10126	4.2
135.11700	3.7
136.08646	3.0
137.09705	2.1
138.05484	1.9
147.11681	7.6
149.09602	4.0
151.11104	3.0
157.10106	7.3
159.11725	2.0
160.07126	2.6
163.11154	3.5
165.12814	3.3
169.02603	50.5
170.38467	1.8
175.11172	9.7
177.12790	2.0
178.43349	1.7
187.03665	10.3
193.12244	25.3
211.13290	9.6
252.16956	3.7
267.15942	12.1
268.12259	3.1
275.20084	10.7
285.16953	18.3
286.13281	33.0
293.21054	28.3
304.14261	13.9
349.23724	8.4
361.14166	31.7
367.24799	22.2
385.25906	19.1
443.21768	18.9
461.22714	10.2
497.29480	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	497.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	11.5
57.03436	10.0
60.05645	2.8
67.05501	12.6
67.13152	1.7
67.45670	1.8
67.88259	1.8
69.07072	9.2
70.06644	1.9
71.04980	3.8
71.08620	11.6
72.60209	1.5
74.06047	1.7
76.05113	2.5
79.05492	9.8
81.03435	26.7
81.07069	12.4
83.04982	2.6
83.08635	20.0
83.15070	1.9
85.02923	9.4
91.05478	7.3
92.63364	1.6
93.07027	12.7
95.04964	18.4
95.08586	3.8
97.10164	4.2
99.08103	9.5
105.07019	4.2
107.04974	2.1
107.08588	10.5
109.06499	3.0
109.10158	9.3
110.05377	1.8
111.04480	2.2
111.08058	2.5
112.99211	3.7
113.00013	100.0
114.09149	1.9
116.08220	8.6
119.08563	9.1
121.10163	7.6
123.07956	2.3
125.09641	11.0
129.07031	2.3
131.08572	3.4
133.10126	4.2
135.11700	3.7
136.08646	3.0
137.09705	2.1
138.05484	1.9
147.11681	7.6
149.09602	4.0
151.11104	3.0
157.10106	7.3
159.11725	2.0
160.07126	2.6
163.11154	3.5
165.12814	3.3
169.02603	50.5
170.38467	1.8
175.11172	9.7
177.12790	2.0
178.43349	1.7
187.03665	10.3
193.12244	25.3
211.13290	9.6
252.16956	3.7
267.15942	12.1
268.12259	3.1
275.20084	10.7
285.16953	18.3
286.13281	33.0
293.21054	28.3
304.14261	13.9
349.23724	8.4
361.14166	31.7
367.24799	22.2
385.25906	19.1
443.21768	18.9
461.22714	10.2
497.29480	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	497.311
Annotation	Polypodine B
Peak:m/z	Relative Intensity
51.21521	7.1
55.05518	10.0
55.20614	6.9
57.03438	13.0
61.02933	42.4
67.05506	63.3
69.03440	18.6
69.07067	18.7
69.65520	7.0
73.02937	17.9
75.16975	7.1
77.24343	8.4
79.05495	32.8
79.96379	7.6
81.07072	81.9
83.08637	16.3
83.62991	8.4
85.02928	36.0
85.06531	7.9
88.37620	8.1
91.03955	16.4
91.05483	14.8
93.07049	54.6
95.08629	84.5
97.02900	19.5
101.74861	8.1
104.96816	8.6
105.07041	33.0
107.08599	48.2
109.10156	78.3
112.55140	8.8
119.08586	30.4
121.10129	19.5
123.11707	10.3
127.03971	12.6
131.08549	20.4
133.10205	30.1
134.70369	7.9
145.10156	17.4
147.11774	17.2
149.13402	11.6
159.11697	14.4
182.15442	15.5
208.96317	7.8
291.43698	9.4
333.94641	9.3
335.25928	43.2
350.58896	9.7
362.62567	9.0
383.31940	10.0
497.30396	100.0
497.37299	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	497.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.2
57.03452	8.9
57.07079	6.8
61.02946	18.6
67.05509	36.1
69.03434	19.5
69.07062	4.9
73.02917	25.0
74.10090	4.5
78.98470	5.1
79.05495	20.4
79.66708	4.9
81.03417	10.4
81.07059	58.5
83.05045	5.0
83.08640	5.5
85.02890	23.2
87.53576	4.7
91.03920	7.0
91.05466	5.6
93.07036	42.7
95.04956	7.5
95.08613	30.9
97.02910	30.1
101.02379	5.0
105.07034	26.8
107.08584	11.1
109.10162	26.1
114.03478	5.2
119.08577	20.0
121.10133	11.8
131.08578	28.2
133.06575	8.2
133.10130	11.1
135.11708	8.0
143.08521	6.1
145.10127	11.2
147.11693	9.2
149.09497	4.8
159.11710	9.8
161.13205	5.4
171.11720	8.5
187.14754	6.8
202.96724	5.2
206.50693	5.4
225.04892	5.5
259.05978	5.2
261.22165	5.8
303.23331	7.1
307.46637	6.3
345.47940	5.2
369.24194	11.0
443.27975	24.3
461.28738	7.9
479.30005	24.7
497.30566	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	497.339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05532	2.2
56.70758	2.1
57.07072	11.4
67.05521	4.8
69.07079	2.7
71.08643	4.2
71.64776	2.3
75.13752	2.4
79.30985	2.1
81.07055	6.1
85.10179	2.3
86.23788	2.1
89.06024	17.1
90.54582	2.9
92.21584	2.2
92.38306	2.3
93.07086	3.1
95.08595	4.6
107.08575	3.2
109.10152	25.2
119.08563	3.5
121.10169	3.1
122.68642	2.7
133.10194	3.0
161.13234	2.7
190.07729	2.8
240.23157	3.6
342.67706	2.7
480.39938	16.1
497.34799	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03373	2.2
55.05518	5.1
67.05510	26.2
69.07065	14.9
79.05495	4.8
81.07058	29.7
91.05486	4.6
92.21217	9.4
93.07053	15.2
95.08608	38.3
100.55199	2.7
105.07018	12.9
107.08576	24.5
109.10157	74.5
117.59068	2.3
119.08560	32.3
121.10146	20.0
123.11755	3.1
129.06984	2.8
129.14105	2.1
131.08553	9.6
131.15611	2.1
133.10141	23.3
135.11681	5.9
143.08557	9.9
145.10126	26.6
147.11658	20.5
149.13260	4.7
155.08620	3.2
157.10152	14.0
159.11636	22.6
161.13248	12.1
169.10117	14.0
171.11662	19.2
173.13269	12.3
181.10109	8.7
183.11708	11.4
183.64008	2.4
185.13268	12.3
187.14861	4.4
195.11664	6.0
199.14806	5.4
201.16394	2.9
209.13152	3.8
211.14828	6.0
223.14809	13.3
225.16399	16.5
227.17955	6.1
235.14716	3.7
235.78757	2.3
236.15485	3.2
237.16350	12.5
239.17870	5.8
241.19501	3.3
251.18115	8.7
253.19571	12.2
262.53027	2.9
263.17960	4.6
265.19489	5.5
267.21100	4.4
277.19678	8.9
291.21155	4.0
292.21967	13.3
339.22870	3.2
387.83093	3.0
401.32156	20.3
419.33054	53.3
437.34082	10.8
440.95938	2.6
461.34097	9.9
479.35159	44.4
497.36203	100.0
512.03851	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	497.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.4
55.24495	1.8
61.88068	1.8
67.05517	24.6
67.41620	1.8
69.07060	11.5
75.89350	2.3
79.05518	7.3
81.07063	30.2
91.05487	2.8
92.21062	8.2
92.21554	2.9
93.07047	15.9
95.08607	35.9
97.06505	2.1
97.10181	2.7
99.08083	5.3
101.35081	2.0
105.07014	15.8
107.07892	3.3
107.08578	27.9
109.06506	2.6
109.09433	4.5
109.10155	98.9
119.08573	23.1
121.10146	19.4
123.11736	5.1
131.08586	4.4
133.10112	22.6
135.08061	2.3
135.11690	10.1
137.09604	4.0
137.82008	2.3
143.08591	3.0
145.10123	22.3
147.11693	24.8
149.13242	9.5
157.10100	14.5
159.11687	16.6
161.13264	10.3
169.10085	5.2
171.11699	11.1
173.13263	12.2
175.14851	9.0
183.11694	3.6
185.13289	10.1
187.14815	19.7
189.16425	4.6
195.11760	2.7
197.13316	4.5
199.14790	14.5
201.16394	10.4
205.11778	2.2
211.14845	3.2
213.16383	4.6
217.15849	9.2
223.14870	4.0
225.16335	4.8
227.17906	4.7
239.17810	2.8
253.19469	3.5
327.03494	2.6
401.31876	9.7
419.32874	24.8
437.34174	22.2
461.33884	2.9
479.35406	23.1
497.36279	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73479	1.0
51.93441	1.0
55.05513	7.6
56.05057	1.2
57.07084	1.9
67.05508	31.4
69.07075	15.3
71.93446	1.3
79.05492	8.4
81.07060	36.9
83.08611	5.6
85.06557	1.6
91.05489	7.0
93.07046	18.3
95.08605	39.0
97.06545	1.5
97.09573	1.1
97.10194	2.9
99.08114	4.6
105.07045	16.3
107.08598	32.6
109.10155	100.0
117.07030	2.2
119.08579	37.7
121.10150	27.6
123.08072	2.7
123.11727	10.2
125.09634	2.5
129.07024	1.2
131.08569	9.9
133.10133	25.8
135.08058	5.5
135.11681	13.8
137.09604	2.7
137.13263	2.2
143.08594	5.8
145.10136	26.5
147.11668	18.5
149.09714	1.3
149.13245	11.2
155.08452	1.8
156.09387	1.9
157.10112	16.8
158.10956	1.4
159.11661	21.1
159.12735	1.3
161.09677	1.4
161.13266	11.5
165.12753	2.3
169.10127	8.9
171.11638	16.7
173.13287	14.9
175.14885	8.4
177.16423	1.7
179.14227	2.0
181.10115	1.7
183.11699	10.8
185.13242	15.5
187.14801	17.3
189.16451	5.9
195.11780	5.2
197.13289	6.0
199.14839	10.8
201.16461	6.2
209.13286	5.2
211.14850	6.7
213.16389	8.8
215.17970	5.5
217.15916	2.9
221.13319	2.7
223.14819	5.8
225.16360	12.3
227.17917	9.6
231.17465	2.9
235.14816	1.6
237.16277	8.8
239.17900	8.1
241.19557	8.5
244.13467	1.4
251.18036	2.3
253.19405	8.8
255.21219	1.7
263.17944	1.6
265.19498	4.7
267.21036	2.2
277.19592	5.4
290.20490	1.6
291.21014	2.6
292.21878	5.5
293.22693	2.1
305.22632	1.3
319.24420	1.8
345.25610	1.7
391.33807	2.0
401.32095	16.9
419.33005	34.1
437.34097	18.6
461.33807	4.6
479.35233	33.6
497.36258	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	497.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56243	1.9
55.05516	12.5
57.07072	2.6
63.46485	1.9
65.11748	2.1
67.05502	25.0
69.03425	2.0
69.07073	20.7
69.19225	1.7
79.05495	5.0
81.07065	45.5
83.08626	9.2
91.05508	3.6
92.20970	2.6
93.07053	17.2
95.08600	49.2
97.06532	3.3
97.10159	3.1
99.08090	8.8
105.07013	22.9
107.08601	33.4
109.06487	3.5
109.10159	81.0
111.36846	2.3
117.07104	2.7
119.08566	44.0
121.03073	2.1
121.10131	31.4
123.11708	8.3
131.08549	17.8
133.10103	25.0
135.08011	3.6
135.11693	13.6
137.09612	4.5
139.11177	3.1
143.08572	9.3
145.10118	30.7
147.11696	26.3
149.13277	5.1
157.10117	16.3
159.11679	19.8
161.13211	19.5
163.14836	3.1
167.08641	2.8
169.10126	13.3
171.11668	23.5
173.13252	17.7
175.14804	10.5
181.10226	2.8
183.11613	15.7
184.16435	2.6
185.13252	16.4
187.14844	19.2
189.16434	4.0
195.11732	9.9
197.13214	13.0
199.14828	14.5
201.16382	5.2
207.11751	3.0
209.13220	13.8
211.14822	5.2
213.16338	10.3
217.15854	3.5
221.13278	3.8
223.14838	9.4
225.16437	16.7
227.17911	10.8
235.14824	2.7
237.16277	17.5
239.17819	9.9
241.19472	11.1
249.16360	3.7
251.17963	10.5
253.19437	15.3
265.19476	11.1
267.21063	4.7
277.19611	9.9
279.21109	5.5
291.20993	2.8
292.21863	14.1
293.22650	4.4
313.21497	3.0
326.74860	2.5
345.25687	2.8
401.32129	25.0
419.27789	3.9
419.33096	56.7
437.34167	19.7
461.33948	9.6
469.74655	2.6
479.35236	43.4
497.36285	100.0
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
51.19333	1.1
53.00315	1.4
55.05518	3.5
55.52568	1.5
55.97245	1.2
59.04408	1.4
67.05517	28.2
69.07072	16.9
70.69992	1.4
73.75105	1.4
79.05487	6.9
81.07061	36.0
81.69273	1.5
83.08611	6.8
87.22501	1.4
91.05466	3.2
93.07047	16.0
95.08611	35.1
97.06520	2.1
97.10139	2.4
97.98946	1.5
99.08081	2.7
101.91647	1.4
105.07043	15.4
107.08591	26.8
107.96835	1.7
109.06550	2.3
109.10152	100.0
111.08072	1.6
117.07011	1.8
119.08577	31.1
121.06520	2.0
121.10146	23.3
123.08054	3.3
123.11680	9.8
129.07014	1.9
129.66382	1.4
131.08562	13.7
133.10143	22.4
135.08031	3.5
135.11713	13.2
137.09578	2.5
143.08530	6.5
145.10133	24.1
147.08163	1.9
147.11700	18.8
149.09648	2.1
149.13237	6.1
153.12761	1.6
155.08600	2.1
156.64970	1.7
157.10100	17.8
159.11719	18.0
161.09560	3.4
161.13293	13.1
163.14789	2.1
165.12715	1.6
169.10129	9.9
171.11688	13.3
173.13229	15.4
175.11118	3.3
175.14822	6.1
183.11696	7.4
185.13287	9.1
187.14818	15.6
189.16347	6.5
195.11671	6.4
197.13182	5.8
199.14754	8.9
201.16405	11.2
209.13260	8.5
211.14735	3.6
213.16402	9.0
217.15921	2.5
221.13091	2.0
222.14128	2.1
223.14731	3.5
225.16339	8.7
227.17972	7.5
231.17345	2.5
237.16364	8.2
239.17909	2.6
241.19568	3.0
243.17432	1.8
249.16371	2.3
251.17810	5.9
253.19539	8.8
259.20584	1.7
265.19495	6.5
267.20972	2.1
277.19595	2.7
279.20981	2.7
281.22464	2.3
291.21252	2.4
292.21939	2.9
293.22742	1.8
297.22128	1.6
401.32129	12.6
419.33017	39.5
437.34262	21.3
461.33984	7.3
479.35193	33.2
497.30573	4.4
497.36313	67.2
497.46942	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	497.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	13.8
71.03029	2.9
78.46819	3.0
79.05475	4.0
79.48117	2.6
81.07063	15.3
84.58182	3.0
86.00806	3.9
91.05515	2.9
93.07049	6.7
95.08590	21.7
95.13399	3.2
95.52440	2.9
99.08047	4.0
103.72232	3.6
105.06995	4.3
107.08583	14.0
109.10172	23.5
119.08562	13.2
119.52948	3.4
121.10165	17.2
123.11726	3.7
125.09698	3.4
131.08536	3.6
133.10104	13.5
135.11696	5.2
145.10112	16.1
147.11693	6.7
149.09694	3.1
157.10118	7.3
159.11697	5.5
161.13281	3.8
171.11667	4.9
173.13306	5.8
175.14789	4.7
177.12607	3.6
187.14812	15.7
199.14713	3.9
201.16362	6.3
217.15895	7.4
231.17485	5.8
233.18904	3.3
253.19569	3.7
328.95349	3.8
419.32916	14.7
437.34116	4.0
479.35046	19.7
497.36050	100.0
497.42657	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	497.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78558	2.3
55.05516	9.8
57.03426	2.7
57.07087	5.0
59.43562	2.4
61.02934	4.0
64.50479	2.4
66.04644	2.4
67.05513	38.1
69.03419	5.9
69.07070	27.1
72.39928	2.3
79.05493	12.8
81.03420	2.8
81.07072	53.5
83.04968	3.7
83.08638	9.6
85.02923	11.1
85.06533	12.7
91.03933	4.0
91.05481	5.9
93.07045	30.5
95.04961	3.5
95.08607	55.0
97.02834	3.8
97.06531	4.8
97.10159	3.9
99.08128	3.0
105.07046	27.9
107.08596	49.0
109.10158	100.0
111.11711	3.3
117.07026	10.6
119.08582	41.7
121.10136	37.4
123.11723	11.7
125.09637	4.1
128.06122	2.5
131.08583	15.2
133.10123	32.0
135.08066	5.5
135.11694	18.2
137.09644	15.8
143.08611	4.7
145.10133	30.3
147.11679	24.6
149.13243	15.0
151.11198	5.6
153.64003	2.9
155.08560	4.3
157.10117	17.3
159.11697	34.5
161.09702	3.0
161.13274	22.6
163.11168	3.8
163.14819	4.6
165.12721	2.9
169.10126	4.4
171.11710	15.1
173.13185	19.7
175.11279	2.5
175.14836	12.3
183.11700	6.2
185.13277	10.6
187.14806	18.3
189.16405	4.1
195.11769	3.9
197.13257	5.9
199.14815	17.4
200.23709	27.3
201.16368	17.3
209.13177	2.9
213.16362	10.0
215.17952	11.3
217.15868	6.0
223.14726	3.5
225.16443	4.9
241.19693	3.7
243.28935	2.7
251.17882	4.1
275.17670	3.5
277.21664	40.2
293.22708	3.3
294.24194	41.9
336.18958	2.7
370.64816	3.2
391.33786	3.9
401.31918	12.8
409.34326	6.0
419.33209	29.2
437.34326	29.6
479.34430	19.3
497.36563	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	497.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	4.3
59.14450	1.8
67.05515	24.9
69.07066	19.1
79.05499	10.2
81.07069	47.4
83.04977	5.4
83.08633	4.7
84.68484	1.9
85.06524	3.2
91.05479	4.7
93.07055	19.0
95.04919	2.5
95.08609	37.9
99.08115	18.0
105.07044	16.2
107.08615	26.6
109.06562	2.7
109.10162	100.0
119.08595	25.0
120.43199	2.3
121.10152	20.3
123.11711	9.3
131.08554	9.0
133.10158	21.6
135.08003	4.4
135.11700	14.7
137.09657	4.0
143.08604	9.4
145.10138	18.1
147.11641	12.0
149.09651	3.6
149.13278	9.1
155.08527	3.2
157.10127	16.5
159.11676	15.4
161.13237	9.9
169.10179	3.8
171.11737	12.6
173.13298	16.2
175.11206	2.6
175.14856	16.9
183.11685	9.1
184.58588	2.5
185.13281	12.9
185.34595	2.3
187.14819	5.5
197.13248	11.0
199.14818	10.9
201.16443	3.4
209.13263	4.7
210.14008	2.9
211.14822	5.3
213.16391	3.4
215.18025	3.2
223.14883	4.6
225.16370	12.3
227.17923	23.9
229.19566	2.5
237.16339	4.2
239.17865	7.9
241.15871	3.6
241.19548	5.2
243.17374	3.3
243.21133	4.3
245.18927	2.6
251.18166	3.1
253.19438	8.0
269.18961	11.3
269.82822	2.2
271.20615	4.3
281.22879	2.4
297.22372	2.5
337.25488	2.6
338.51871	2.5
401.31949	3.7
419.32956	32.5
437.34271	15.4
461.34195	8.8
479.35339	38.0
497.36200	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	497.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47332	2.6
54.30587	3.2
55.05508	5.0
64.67477	2.6
67.05517	25.1
67.14572	2.9
69.07067	23.6
79.05488	7.6
81.07066	70.4
83.04987	7.9
83.08620	5.0
89.56988	2.7
91.05507	4.6
93.07042	19.7
95.08612	53.8
97.10191	3.6
99.08090	27.9
105.07027	15.8
107.08593	33.8
109.06512	4.1
109.10164	100.0
119.08601	40.7
121.10146	29.4
123.08019	3.7
123.11730	18.3
131.08548	13.5
133.10144	33.3
135.08080	6.1
135.11688	21.0
143.08545	7.5
145.10121	21.5
147.11697	16.9
149.09628	5.1
149.13290	4.2
152.47672	3.4
155.08598	4.7
157.10143	18.2
158.22868	3.3
159.11661	19.8
161.09642	3.7
161.13243	7.5
169.10130	4.6
171.11700	18.2
173.09740	4.0
173.13280	14.6
175.14851	18.0
183.11676	5.1
185.13268	15.4
187.14835	13.9
197.13300	4.5
199.11034	3.0
199.14798	14.9
201.16476	4.0
211.14745	4.5
213.16368	5.8
215.17964	4.9
223.14911	3.4
225.16356	14.2
227.17950	30.7
237.16295	4.6
239.18027	7.3
241.19547	6.2
253.19565	3.9
257.19281	4.3
267.21115	3.6
269.19028	11.6
283.20514	4.7
293.19321	3.3
321.25775	3.7
369.75967	3.5
399.79367	3.3
401.32294	5.4
419.33087	49.1
437.34070	38.1
461.34235	5.5
479.35135	52.7
497.36276	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	497.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	4.1
56.31214	2.3
57.07077	2.3
62.30486	1.9
67.05518	22.4
69.03432	4.7
69.07068	17.0
70.29352	2.1
71.04991	3.9
79.05493	5.6
81.07069	59.5
83.04958	2.8
83.08617	2.2
93.07059	21.1
95.08616	46.4
99.08090	18.2
105.07040	27.5
107.08629	36.1
109.06551	3.5
109.10161	100.0
111.11707	3.2
117.07008	3.5
119.08604	43.9
121.06522	2.5
121.10164	31.9
123.11718	10.4
131.08542	18.6
133.10143	35.3
135.08063	15.0
135.11699	15.6
137.09618	3.1
143.08565	11.3
145.10126	36.9
147.08043	4.3
147.11716	25.2
149.09639	4.0
149.13284	9.9
157.10086	19.0
159.11702	21.7
161.09523	8.2
161.13232	23.2
163.14867	4.9
169.10165	4.6
171.11694	16.7
173.09689	3.3
173.13283	26.0
175.11206	4.7
175.14835	18.8
185.13211	18.1
187.14842	33.5
189.16425	16.1
197.13167	3.6
199.14828	20.4
201.16386	23.4
203.18016	4.4
211.14954	3.7
213.16348	14.6
215.18079	4.3
217.15860	20.2
225.16301	5.0
227.17802	3.4
229.15656	3.4
231.17438	10.9
239.17998	3.4
241.19472	3.6
251.17838	2.8
253.19496	3.7
291.20953	3.0
293.22751	2.8
329.28775	3.0
363.26459	2.9
401.31958	12.6
419.33066	44.1
437.34189	21.7
461.34085	11.5
479.35190	51.2
497.36206	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	497.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69794	0.8
54.93699	0.9
55.05517	2.2
57.07053	1.0
67.05510	25.6
67.05852	1.9
69.07076	12.2
69.99101	1.0
71.08646	1.1
79.05500	2.4
81.07065	19.1
83.08657	1.4
91.05479	1.6
93.07051	7.9
95.08617	13.0
99.08067	1.3
99.69846	1.0
105.07040	6.7
107.08585	12.4
109.06469	1.4
109.10153	100.0
113.54155	1.1
119.08541	9.8
121.10144	12.7
123.11697	6.3
131.08566	1.2
133.10129	8.5
135.08028	1.7
135.11719	4.3
143.08595	2.1
145.10141	9.9
147.11703	5.9
149.09579	1.4
149.13248	1.8
157.10101	5.5
159.11629	8.6
161.09554	1.1
161.13280	4.8
163.14857	1.8
169.10138	2.0
171.11694	3.6
173.13234	5.8
175.14841	4.6
183.11707	1.1
185.13246	4.7
187.14842	6.2
189.16325	1.1
195.11659	1.1
197.13240	1.9
199.14813	4.8
201.16319	4.0
211.14821	1.8
212.40005	1.2
213.16312	2.4
217.15831	1.2
225.16400	2.0
227.17972	4.4
237.16264	2.1
239.17813	1.9
241.19525	1.9
251.17929	1.3
253.19443	1.4
255.17354	1.2
265.19812	1.0
267.20993	1.3
269.19046	1.9
309.21936	0.9
401.31949	2.2
419.32959	13.0
437.34302	10.3
461.34006	1.7
479.35330	10.2
497.36224	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	497.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.7
57.00526	1.7
57.07071	2.9
57.36898	1.6
57.64616	1.7
61.17678	1.8
67.05520	27.8
69.07065	12.1
70.50670	1.9
71.03671	1.8
79.05521	2.1
81.07060	38.5
83.08620	2.3
85.58675	1.8
91.56163	1.8
93.07046	13.8
95.02207	2.2
95.04912	1.9
95.08612	20.0
99.08108	3.0
105.07033	11.1
107.08579	25.1
109.06537	2.7
109.10159	100.0
117.06980	2.6
119.08599	24.6
121.09393	1.9
121.10154	19.5
123.11684	2.0
130.26079	2.1
131.08543	4.9
133.10168	16.0
135.08009	3.3
135.11696	2.7
137.09706	2.1
143.08568	5.0
145.10060	18.5
147.11694	12.7
149.13226	3.7
157.10150	13.8
159.11713	12.7
161.13258	4.1
169.10118	4.4
171.11676	10.1
173.13280	9.3
175.14812	3.1
177.12825	2.7
183.11729	3.5
185.13229	4.9
187.14761	19.2
195.11662	2.9
197.13277	2.7
199.14742	8.4
201.16415	3.1
211.14796	4.7
213.16396	3.6
217.15857	7.9
225.16199	4.1
227.18002	4.7
237.16495	3.8
239.18076	3.0
240.23207	3.7
241.19511	2.7
269.19168	3.1
279.21008	2.8
293.22672	2.6
399.29883	2.5
401.32037	4.1
419.33127	19.1
437.34293	17.9
461.33615	3.2
479.35364	21.7
497.36234	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	497.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	12.7
67.05506	24.7
69.07075	21.4
79.05482	2.7
81.07063	48.2
83.04945	4.5
83.08630	6.0
88.26947	2.6
91.05483	10.6
93.07033	22.0
95.08598	47.1
97.06475	3.7
99.08104	10.9
101.83069	2.4
105.07035	28.3
107.08598	41.4
109.06489	4.3
109.10159	88.3
111.08076	2.8
117.06991	3.0
119.08565	53.9
121.10147	26.7
122.26762	2.4
123.08075	3.7
123.11703	4.4
125.09613	3.5
131.08546	14.2
133.10121	38.3
135.08070	5.3
135.11716	20.1
137.09715	2.7
137.13351	3.1
143.08549	13.7
145.10124	40.0
147.08022	4.1
147.11690	23.7
149.13252	16.6
157.10135	21.0
157.89519	2.5
159.11690	28.7
161.09602	11.9
161.13229	24.9
163.14787	4.8
169.10152	10.6
171.11679	20.0
173.13258	29.8
175.11215	6.0
175.14850	17.6
177.12767	3.3
177.16264	3.0
183.11711	10.6
185.13287	15.6
187.14781	29.0
189.16428	13.2
195.11678	3.6
197.06578	3.0
197.13330	5.3
199.14821	21.5
201.12688	3.1
201.16360	21.8
203.18033	5.3
205.15715	2.7
209.13098	4.0
211.14780	11.2
213.16396	16.1
215.17833	3.1
217.15752	19.0
223.14780	4.1
225.16325	11.2
227.17984	9.5
231.17442	6.0
235.16933	4.7
237.16405	5.5
239.17796	3.0
241.19542	3.3
251.17966	5.6
253.19427	12.5
259.20551	3.3
290.20166	3.1
292.21930	3.9
293.22626	4.5
388.90891	3.0
401.32047	22.3
419.33154	52.2
437.34195	21.0
461.33948	5.8
479.35236	55.3
497.36133	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14006	2.7
55.05531	5.6
60.08167	3.2
62.00958	3.1
67.05517	32.9
69.07073	23.8
74.87395	3.8
79.05515	4.6
80.03642	4.6
81.07066	47.4
83.04986	15.7
83.08641	8.8
86.09709	26.0
91.05487	7.0
93.07065	28.8
95.08613	43.0
95.54235	3.8
97.10172	5.6
99.08073	8.7
104.10780	48.9
105.07030	15.2
105.11085	4.8
107.08583	31.4
109.10168	100.0
111.08144	5.2
117.07108	4.2
119.08577	33.6
121.10120	29.2
123.11703	16.8
125.00018	7.2
131.08623	8.9
133.10132	20.6
135.11745	17.6
145.10115	8.1
147.11725	16.9
149.09639	7.0
149.13243	6.8
157.10123	23.2
159.11674	17.1
161.13269	7.7
171.11711	18.0
173.13295	17.3
175.11224	4.2
175.14822	15.2
183.11606	6.0
184.07344	67.5
185.07721	16.5
185.13185	8.9
187.14821	7.1
189.16365	4.8
197.13333	7.2
199.14697	6.5
202.93419	3.9
209.13239	4.7
227.17937	24.6
237.16354	5.8
239.17967	8.2
241.19398	7.3
253.19453	5.4
255.21129	6.7
269.18921	9.5
271.20706	5.0
293.22794	4.8
329.21033	4.2
419.33041	39.0
437.34055	20.2
461.33984	5.4
479.35214	39.3
497.21756	5.0
497.35690	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	497.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32234	1.6
55.05517	10.3
57.07076	8.3
60.08170	2.9
67.05505	25.8
69.03420	1.8
69.07066	21.9
71.08630	2.8
71.50228	2.2
71.53918	1.9
71.59448	2.0
75.08652	2.1
79.05489	12.2
81.07058	33.3
83.08619	10.5
86.09713	21.4
87.10062	4.5
91.05502	5.1
93.07044	29.0
95.08616	41.5
97.10171	2.8
99.16273	2.3
105.07040	12.5
107.08597	32.8
109.06570	3.1
109.10157	62.7
109.73484	2.2
111.08089	3.1
112.45053	1.9
119.08565	26.6
121.10149	29.8
123.11730	8.4
124.99985	9.4
131.08571	10.6
133.10106	18.6
135.11688	11.3
139.11128	2.4
141.98291	2.3
143.08583	9.7
145.10107	18.2
147.11700	14.7
149.13271	8.8
151.11192	2.4
155.08580	3.4
157.10135	15.5
159.10507	2.3
159.11632	17.3
161.13257	13.4
169.10098	13.3
171.11694	17.1
173.13168	7.4
175.14803	4.1
181.10071	4.4
183.11681	11.3
184.07339	91.5
184.13315	4.4
185.07677	21.4
185.13260	12.3
187.14784	3.6
195.11682	2.8
197.13225	16.1
199.14940	4.8
201.16519	2.7
207.11707	3.1
209.13289	9.7
211.14827	5.1
213.16481	2.1
221.13219	3.1
222.14014	2.4
223.14899	9.7
225.16388	13.4
227.17946	4.1
233.22589	2.8
235.14822	5.2
236.15570	2.6
237.16328	14.2
238.17221	2.5
239.17937	10.1
247.14766	2.2
249.16412	4.7
251.17953	11.2
253.19533	18.4
261.22122	2.1
263.17862	2.9
265.19495	7.7
267.21057	8.8
275.17944	3.8
277.19443	10.4
279.21011	3.0
291.21185	4.2
292.21832	14.5
293.22586	4.9
296.25854	18.9
339.23203	2.2
345.25623	2.3
352.24069	3.8
390.34384	2.1
401.31909	16.0
419.33148	46.0
437.34018	10.3
438.18884	3.8
453.33371	2.7
461.34225	4.1
479.35245	32.6
497.36029	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	9.3
55.01873	2.1
56.69586	0.7
56.95517	0.7
57.03441	1.6
57.10937	0.8
69.03431	15.3
71.04988	4.8
71.63731	0.8
73.02915	7.3
77.28952	0.8
81.03423	29.2
83.04972	1.3
83.40088	0.7
85.02909	48.1
87.00831	21.9
91.03937	0.7
97.02891	35.7
99.04456	22.5
103.03941	12.4
105.01871	28.5
109.02881	83.6
127.03914	100.0
129.01854	6.4
145.04956	18.1
147.02873	5.4
159.02892	19.1
162.42297	1.1
163.06041	4.1
169.04903	1.4
187.06021	1.5
213.03926	15.4
231.04973	30.4
249.06068	9.1
253.07060	1.1
255.05080	0.9
273.05991	1.2
291.07059	7.2
319.13965	1.4
357.08133	5.6
361.14731	1.2
375.09183	10.6
393.10254	31.3
445.16666	1.1
463.18063	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	498.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	10.6
55.01874	3.0
55.82498	1.3
57.03428	1.6
66.56788	1.4
67.05504	1.7
69.03439	15.5
69.62107	1.3
70.06590	22.9
71.05003	3.0
72.08156	9.6
73.02929	2.9
79.96836	1.4
81.03426	32.5
85.02906	54.7
86.09704	9.0
87.00822	22.4
87.04453	1.6
91.34503	1.4
95.08549	1.8
95.43506	1.6
97.02899	40.5
99.04461	26.3
101.99383	1.6
103.03948	18.5
105.01873	28.8
109.02882	85.7
120.08092	7.6
127.03907	100.0
129.01849	10.3
129.10243	2.1
140.11591	1.6
143.08440	1.8
145.05000	19.7
147.02846	6.7
155.08110	17.1
157.09726	1.6
159.02866	18.3
163.06044	8.3
183.14996	2.2
187.06009	1.7
211.14328	2.0
213.03992	16.9
230.68414	1.6
231.05022	24.5
249.06065	13.5
273.06012	2.7
280.11383	1.6
291.07153	8.2
307.10092	1.7
357.08151	1.9
375.09167	11.6
393.10239	37.3
400.14514	2.5
463.18091	9.7
498.18643	7.7
498.33002	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	498.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13991	0.4
54.18351	0.4
70.06597	4.3
70.63576	0.4
72.08168	0.9
76.42188	0.4
76.64169	0.4
85.02895	0.9
86.09707	2.6
92.94817	0.4
93.07146	0.4
101.07155	2.8
108.17211	0.5
114.09151	2.0
115.05077	3.7
120.08100	100.0
127.03932	1.9
129.06593	16.3
129.10243	0.9
141.05669	0.5
141.06560	3.9
155.08145	2.6
166.08632	4.7
177.10213	15.9
186.08772	6.0
200.92961	0.4
203.11835	1.1
203.70441	0.5
205.09720	0.6
217.09650	0.5
231.11346	1.8
234.12366	2.7
244.10811	0.8
305.16049	15.4
313.15375	2.6
333.15536	14.1
370.17767	0.7
452.23126	0.9
455.99207	0.5
480.22440	0.6
498.16638	0.7
498.23511	8.0
498.32712	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	498.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08802	0.5
69.03447	0.8
70.06585	2.7
72.08131	0.9
77.95059	0.5
80.51105	0.6
81.07063	1.1
83.06100	3.8
83.08617	1.1
84.05261	0.5
85.02901	1.3
86.09710	2.7
87.29700	0.5
89.26577	0.5
91.05450	0.9
93.04527	1.4
93.07049	1.3
95.06094	4.5
95.08606	0.5
97.02881	1.2
110.07165	100.0
120.08102	1.3
121.08414	0.7
122.04112	0.7
127.03983	0.7
130.06564	0.8
132.08046	0.9
135.11703	1.1
137.13319	0.7
146.06020	1.2
155.08250	0.6
156.07686	33.6
159.09172	20.1
166.05244	0.8
188.07077	3.1
230.12827	4.5
248.13943	10.5
266.14951	5.8
271.06061	2.2
279.14963	0.7
297.15955	6.5
312.15500	0.8
314.12442	0.8
315.16916	0.9
452.22821	1.2
480.22375	1.0
498.23395	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	498.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86313	1.4
53.03935	2.0
54.81339	1.2
55.01884	1.4
57.79092	1.2
59.10612	1.4
59.77291	1.4
61.02948	1.6
61.51607	1.4
67.05507	2.1
69.03434	16.0
70.06589	12.0
71.04999	5.7
72.08136	1.9
73.02919	2.0
81.03421	17.0
81.07056	2.5
84.08146	1.5
85.02905	65.7
86.09685	3.3
87.00817	2.7
95.08589	2.3
97.02891	31.7
99.04449	27.9
103.03944	56.1
105.01856	7.4
109.02878	36.4
109.10120	2.5
112.72456	1.3
120.08103	54.7
125.84288	1.4
127.03910	100.0
127.08636	2.0
129.01830	2.9
129.06583	8.9
129.10262	2.9
141.06583	2.1
145.04951	32.9
147.02859	1.7
155.08165	9.5
159.02895	3.3
163.06010	35.2
166.08710	1.4
177.10229	8.3
186.08739	1.6
213.03932	3.5
231.05008	8.9
249.05983	3.1
271.08231	2.9
281.09259	2.8
289.09094	9.4
305.11996	1.4
305.16022	7.2
307.10229	28.5
333.15555	8.5
359.12231	2.6
372.21432	1.9
375.09097	3.0
390.41016	1.9
393.10202	12.8
454.95285	1.6
463.17819	1.7
480.17300	2.9
498.17960	10.4
498.32709	8.3
518.11511	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	499.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25933	1.2
69.98166	1.0
70.06580	5.0
70.27704	1.2
72.08154	1.3
84.08153	2.6
86.09708	1.5
98.32755	1.2
110.07189	2.0
120.08104	1.5
129.10251	1.8
132.08165	2.2
144.08084	6.3
146.06012	40.6
159.09152	5.1
170.05888	1.3
188.07068	100.0
205.09715	38.3
250.08003	2.6
251.08725	1.4
318.23065	1.2
342.35443	1.2
455.15543	2.0
499.13419	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	499.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93477	2.2
55.01874	2.4
55.05518	17.2
57.03453	20.0
57.07087	5.4
61.02933	40.1
61.13549	2.2
61.51804	2.0
64.03496	2.4
67.05182	4.0
67.05513	67.6
67.55720	2.5
69.03435	27.4
69.07074	30.5
71.04997	4.1
73.02930	25.3
79.05504	17.9
81.03435	18.4
81.07063	68.2
82.59422	2.3
83.04996	3.8
83.08643	24.5
85.02917	47.9
91.03970	19.6
91.05486	18.8
92.21558	2.9
93.07055	20.8
95.05000	3.0
95.08608	60.7
97.02894	34.6
97.06566	2.9
97.10174	13.0
99.04462	10.7
100.87270	2.3
101.02378	2.9
105.07023	11.7
107.08578	18.6
109.02930	5.0
109.10159	31.9
119.08582	14.2
121.10133	15.8
123.11689	14.1
127.03897	13.3
131.08534	4.1
133.10162	13.6
135.11697	13.4
137.13252	4.3
145.04967	4.6
145.10136	4.1
147.11687	11.0
149.13277	3.7
159.11650	3.3
161.13304	3.4
163.14761	4.0
183.06607	3.0
195.50435	2.5
227.66310	2.6
245.22598	10.7
256.26456	4.6
263.23770	18.8
291.65402	2.6
298.00449	2.6
318.35248	2.6
319.71362	3.0
337.27377	51.0
371.26044	5.5
407.27966	2.6
445.29410	3.9
463.30606	3.9
481.31604	12.2
499.32684	100.0
499.40231	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	499.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47094	2.1
55.05511	15.4
57.03440	19.5
57.07085	4.0
61.02933	42.8
67.05516	49.6
69.03419	20.2
69.07078	22.6
70.81185	2.6
71.08620	3.3
73.02930	27.2
79.05499	14.9
81.03441	10.4
81.07066	60.1
81.98933	2.8
83.08612	15.2
85.02914	50.2
87.04462	3.0
91.03981	20.1
91.04504	2.5
91.05473	5.1
93.07037	18.5
95.08606	55.8
96.76018	2.8
97.02892	43.6
97.10193	3.2
99.04452	4.7
101.02399	6.5
103.03961	3.9
105.07052	5.4
107.08573	17.6
109.02895	4.1
109.10170	23.6
111.08102	2.7
115.03988	3.7
119.08515	11.5
121.10123	10.0
123.11681	5.3
127.03918	15.8
133.10182	5.8
135.11662	6.0
137.13277	3.4
138.44766	2.6
147.11665	4.2
169.34485	2.8
245.22681	3.1
263.23697	12.9
337.27344	52.9
379.27359	3.1
463.30676	3.6
481.31412	6.4
499.32339	100.0
499.37851	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	499.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21182	2.3
55.83667	2.5
60.64772	2.7
67.05508	11.6
69.03452	4.8
69.07068	4.4
79.05505	5.0
81.07076	15.9
83.13902	3.0
85.06557	4.1
88.27936	2.8
89.77538	2.8
91.05512	2.9
93.07063	10.6
95.08628	30.6
102.73055	2.8
105.07032	13.8
105.60871	2.9
107.08605	24.6
109.06551	3.8
109.10162	18.6
119.08586	31.4
121.10174	19.3
123.08094	3.4
123.11697	6.5
131.08589	14.5
133.10130	26.9
135.08057	5.9
135.11713	6.6
137.06073	3.8
137.09673	10.3
137.13333	3.3
143.08559	4.4
145.10112	22.1
147.11694	17.8
149.09631	5.3
151.07524	6.4
154.55844	2.7
157.10132	16.2
159.11708	18.0
161.09633	6.1
161.13243	11.0
165.12700	4.0
169.09987	3.7
171.11726	11.4
173.13268	16.3
175.14821	13.3
177.12865	3.2
183.11494	2.9
185.13266	4.5
187.14868	14.6
191.14252	3.3
199.14915	4.3
201.16260	3.7
207.95403	3.5
213.16341	6.5
219.13890	3.9
230.17599	3.3
233.15179	3.1
251.17834	4.1
253.19525	3.3
293.81995	3.0
321.25650	9.9
324.51288	3.0
345.25845	5.9
361.25580	2.9
381.27841	6.7
402.96426	3.0
403.29959	5.8
421.30923	32.2
439.32108	12.0
441.30127	3.9
481.33511	22.6
481.39182	4.1
486.48019	3.3
499.34201	100.0
499.41068	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	499.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84098	12.1
57.68222	10.4
67.05505	20.1
69.07062	11.2
75.28102	11.6
79.05511	14.2
81.07053	22.3
86.33990	14.7
91.05466	13.3
91.82981	12.4
93.07023	18.1
95.08602	68.6
105.07045	26.4
107.08635	46.2
109.10163	71.0
111.08121	19.5
119.08592	63.2
121.10178	32.2
123.11735	17.2
131.08580	23.6
131.93742	12.0
133.10104	52.8
135.11652	25.9
136.18631	12.8
137.09584	20.0
145.10149	25.7
147.11653	55.8
149.13217	16.9
150.94186	13.6
159.11635	57.1
161.13248	22.8
173.13248	27.2
175.14760	12.5
185.13382	15.1
187.14809	71.8
201.12697	16.3
202.23386	15.5
212.85320	16.5
225.16360	16.2
244.98280	13.4
252.52386	15.8
256.26385	29.9
321.25842	17.1
403.30054	17.0
421.31046	100.0
439.32092	22.8
481.32928	89.4
481.39517	23.9
499.34064	84.3
499.40939	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	499.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
65.56882	0.7
91.11941	0.8
92.21492	1.2
99.04459	0.8
159.08197	0.8
191.10483	1.7
194.12843	1.2
219.81622	0.8
254.17395	1.5
331.25970	2.0
499.37543	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89918	0.4
56.50327	0.4
63.51650	0.5
64.89161	0.5
66.27392	0.5
80.41170	0.5
80.60091	0.5
86.34497	0.5
89.40284	0.5
92.21522	0.8
123.71096	0.5
141.13338	0.6
190.14977	0.7
234.03310	0.6
347.25766	0.7
438.54645	0.6
441.33752	0.6
499.37582	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52990	0.7
78.31234	0.9
81.07063	1.0
99.04430	1.4
117.62034	0.8
184.13380	0.9
186.28001	0.8
231.93739	0.8
254.17601	3.8
327.28857	1.1
454.19812	0.9
499.37506	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.223
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	0.4
56.92051	0.2
58.18831	0.3
59.56384	0.3
67.05495	0.4
67.27635	0.3
68.20888	0.3
69.07066	1.8
71.04985	0.5
76.05116	1.3
83.08633	1.4
91.05487	4.5
97.06544	0.6
109.06476	0.4
111.08052	0.7
114.56386	0.3
115.07584	1.9
118.05000	1.3
119.04939	6.7
121.06519	0.4
123.04436	2.7
136.07578	100.0
139.07547	1.2
147.04390	1.4
156.10146	0.4
160.07193	1.4
162.05504	0.5
165.05467	5.2
177.09837	1.6
182.08119	3.9
184.07309	0.3
256.13248	2.9
274.14346	17.1
292.15417	6.3
320.14886	3.9
320.43381	0.3
338.15775	0.3
339.30408	0.4
409.20386	0.4
437.20740	0.5
455.21735	15.7
483.21301	4.6
501.22104	9.6
501.29144	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	501.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05669	7.9
60.67965	0.7
63.37561	0.8
70.06596	73.9
72.08139	5.2
80.42892	0.8
84.08129	5.9
85.02928	1.2
86.09704	17.9
87.28477	0.8
97.07635	1.1
101.07128	1.2
110.07178	1.6
112.08725	5.6
113.07133	1.3
114.10336	1.1
115.08697	3.3
116.04856	0.9
116.07070	10.0
123.73966	0.8
126.05510	1.2
126.09132	11.5
129.10226	3.5
130.09767	3.3
133.06100	1.0
137.05954	1.1
140.07076	3.9
147.04399	3.9
147.07610	1.0
153.43088	0.9
156.11298	4.3
158.09254	8.3
164.07072	1.1
168.06534	8.0
169.13347	1.1
175.11905	43.4
175.13420	1.6
182.08109	1.0
183.14909	22.2
186.07629	38.2
188.13937	2.1
196.06010	7.3
204.14096	0.9
211.14357	5.0
214.07086	35.6
229.15601	1.0
255.14426	1.5
271.17661	3.7
288.20279	1.4
357.72632	0.9
368.23022	2.0
385.21060	1.5
385.25592	24.8
441.04858	1.0
501.26535	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81584	1.4
52.73716	1.5
55.01868	1.6
55.05517	11.4
56.04778	2.6
56.05045	72.1
63.93246	1.7
67.05512	17.5
69.07084	4.3
71.04979	1.8
72.04536	14.1
74.06085	32.2
74.15303	2.0
79.05491	13.0
81.03426	30.9
81.07066	11.5
82.06586	3.4
83.05009	4.3
83.08631	22.5
91.05471	8.4
93.07040	4.7
95.04979	14.9
95.08598	16.7
97.10167	10.5
98.06060	21.3
99.08084	2.8
102.05550	26.4
105.07043	4.7
107.08611	8.1
109.10153	11.9
110.02839	1.7
111.04445	2.7
111.08082	9.3
116.07114	3.5
118.05002	4.4
119.08590	7.3
120.06581	17.8
123.08037	4.5
124.11217	14.6
125.09631	10.9
126.05518	2.0
129.06998	3.2
131.08537	3.1
133.10095	4.3
137.09557	6.7
144.06558	51.4
147.11662	4.1
149.09607	3.6
152.10712	3.2
154.12273	10.9
155.10663	2.9
157.10115	3.3
163.11162	2.4
165.12805	3.2
170.11740	3.9
173.11646	2.1
175.11150	10.8
177.08646	22.6
184.13377	2.0
186.14859	9.4
192.13838	2.7
193.12254	47.5
202.14368	4.8
210.14995	2.2
224.16455	23.6
225.14853	50.6
275.20020	3.0
286.16434	9.1
288.17917	1.9
293.21201	4.8
301.17554	7.8
303.19061	14.8
307.22699	42.6
325.23721	11.8
345.20203	100.0
365.59341	2.0
383.92709	2.0
501.22244	12.9
501.31671	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	501.426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	1.3
57.07085	1.7
60.87106	0.7
67.05506	5.3
69.07069	5.3
71.04982	0.9
79.05507	1.6
81.07078	6.4
83.04980	0.8
83.08626	10.8
86.06090	0.9
88.07652	2.0
92.25279	0.8
93.07037	5.5
95.08607	4.8
97.06554	3.6
97.10199	1.2
100.07617	1.6
107.08611	5.6
109.10172	1.5
111.08105	3.3
114.09149	1.5
119.08606	0.8
121.10128	1.5
122.08155	1.0
128.10756	0.8
128.19629	0.8
135.13565	0.8
149.13258	21.6
153.67616	0.9
159.11717	2.0
166.15921	24.4
167.14305	7.4
181.96617	0.8
184.17009	4.9
194.15508	1.0
212.16447	32.5
212.18443	1.2
213.14955	1.8
238.18030	18.6
239.16360	7.1
242.24763	1.7
256.19083	71.7
306.07397	0.8
453.40558	0.9
501.42636	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49888	0.7
57.07079	1.3
67.05499	3.6
69.07066	5.3
69.69866	0.8
70.06623	0.8
71.04977	0.8
74.06088	0.8
79.05520	0.8
81.07061	7.7
83.08604	9.8
84.08127	0.8
86.06077	1.2
88.07633	2.0
92.55418	0.8
93.07066	6.2
95.08604	3.9
97.06539	4.3
97.10175	1.0
98.94632	1.0
99.08123	1.0
100.07639	1.2
107.08597	5.2
109.10157	1.0
111.08076	1.4
111.73785	0.8
114.09166	3.2
116.47860	0.7
118.08718	1.1
121.10178	4.0
125.13248	0.8
135.11659	0.8
149.13260	20.0
159.11740	0.9
159.81532	0.7
166.15894	25.0
167.14342	6.6
184.16942	4.0
194.15350	1.6
212.16457	28.1
213.14874	0.9
238.18001	18.2
239.16362	6.2
242.24811	3.5
256.19052	77.7
287.67407	0.8
346.54306	0.8
489.49506	0.9
501.42609	100.0
515.47821	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	501.426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91583	0.6
55.05515	1.3
55.42672	0.7
57.07091	1.3
61.81742	0.6
67.05499	4.2
67.23227	0.6
69.07064	5.4
70.06603	1.0
79.05527	0.9
81.07056	7.2
83.08619	8.8
85.06526	0.7
88.07639	1.7
93.07057	4.9
95.08604	3.3
97.06537	3.8
97.10165	1.3
100.07632	1.8
104.07093	1.0
107.08607	4.9
109.10185	1.6
111.08089	4.7
114.09190	3.0
121.10181	3.0
123.11715	1.4
125.09566	0.7
125.13281	1.4
128.10770	1.1
135.11732	1.4
149.13252	21.0
150.68173	0.8
154.38507	0.7
159.11734	1.8
166.15900	24.0
167.14330	8.6
176.14404	1.1
177.12709	1.0
184.16986	4.8
194.15346	1.0
195.13960	0.8
212.16457	29.8
213.14879	3.1
224.12721	0.9
238.18021	22.5
239.16417	6.3
242.24854	3.0
256.19064	84.5
341.62643	0.8
370.03912	0.8
501.42648	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14146	1.1
51.77433	1.2
55.01877	2.4
55.80256	1.1
57.03459	4.5
61.02926	3.4
61.66282	1.1
62.62111	1.5
62.81754	1.5
69.03440	20.2
70.06580	9.1
71.04964	1.8
72.08144	1.9
73.02930	2.7
81.03429	14.5
84.08154	6.3
85.02911	100.0
86.09703	7.6
87.00830	41.1
92.20924	1.6
92.98161	1.5
97.02895	32.4
99.04466	13.8
105.01872	91.3
105.27261	1.4
109.02885	34.4
116.07115	2.6
120.08105	2.1
127.03916	77.7
129.01845	2.5
129.10262	2.9
145.04958	24.4
147.02895	2.7
147.04404	2.6
159.02856	14.9
161.61357	1.4
164.08241	2.0
182.14293	1.4
213.03920	2.5
231.04959	39.9
249.06033	22.4
305.12296	17.5
382.89059	1.6
466.15109	1.6
469.20496	1.7
502.18939	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	502.218
Annotation	Unknow
Peak:m/z	Relative Intensity
61.56344	1.9
70.06631	1.9
81.07068	9.8
84.04511	45.5
85.02916	2.2
89.49637	2.4
91.05463	2.6
109.06523	22.9
114.09223	4.2
116.07065	9.8
119.04927	2.5
127.07618	2.9
130.06519	3.5
132.08051	10.4
137.05991	41.3
144.05431	3.6
144.06566	99.6
146.06004	8.7
159.07841	3.6
159.09164	100.0
159.10420	4.3
162.07582	4.2
170.05919	4.2
185.07034	3.4
187.08615	4.2
188.07065	30.8
248.99495	2.1
277.13303	4.7
280.11758	2.4
295.14432	24.1
295.84445	2.5
298.13190	2.3
313.15369	16.2
323.13992	2.9
341.15082	16.8
357.18152	2.6
438.20151	2.9
442.19907	3.4
456.21201	27.0
470.19125	11.2
478.11670	2.4
484.20801	19.6
490.26877	2.2
502.21722	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	502.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07086	22.8
69.69019	1.5
71.08635	46.4
73.10843	1.4
75.15469	1.3
85.10188	21.7
87.04478	6.4
89.06033	88.8
91.05490	3.4
93.07039	9.2
105.07040	1.7
107.07063	1.7
115.63673	1.3
118.07795	1.3
119.04939	2.6
121.06505	57.6
133.08609	29.7
135.07047	1.3
135.08028	2.8
135.11703	2.2
147.08022	14.0
149.09557	1.8
165.09143	14.0
177.11185	3.2
198.10612	1.5
209.71886	1.5
221.13753	2.5
247.20450	19.9
271.15430	1.9
291.23169	13.0
315.17709	1.7
333.41324	1.5
335.25903	1.9
359.20645	39.5
485.34732	100.0
502.37418	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	502.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53024	2.7
57.07095	28.0
71.08635	47.3
75.87208	3.2
85.10198	25.4
87.04452	4.7
89.06030	98.5
91.12095	2.9
92.21231	13.8
93.07072	6.0
121.06508	59.8
121.60659	3.3
133.08606	26.7
135.08119	4.3
147.08057	15.5
165.09087	17.2
177.11182	4.8
200.05139	3.0
208.84602	3.5
209.11594	3.8
247.20535	20.0
291.23093	11.8
359.20593	45.7
385.37332	3.5
485.34744	100.0
502.37024	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	503.1162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86050	1.0
62.28992	1.1
70.06575	2.7
70.85635	1.1
72.08161	4.5
84.08141	1.7
86.09707	7.3
94.19982	1.2
94.53358	1.2
120.08087	1.3
129.10242	2.6
132.10170	1.5
351.31393	1.4
357.97839	1.4
426.08401	1.3
481.89752	1.9
503.11566	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.5
55.53701	0.6
56.39858	0.6
57.03439	1.7
61.02926	1.3
69.03431	11.4
70.06594	3.3
71.04983	4.8
72.08161	1.8
73.02905	0.8
81.03433	22.1
84.08158	2.7
85.02905	15.3
86.09719	3.4
87.04456	1.6
87.05572	0.7
91.03956	0.6
97.02892	6.2
99.04470	8.8
109.02889	2.5
117.05447	1.0
120.08072	0.9
127.03870	1.2
129.10240	1.2
143.11761	1.6
145.04912	0.7
163.08687	0.9
170.89464	0.7
179.08122	0.8
191.08199	6.8
207.07648	100.0
249.08722	1.7
305.11319	1.8
323.12390	18.9
341.13428	80.4
405.23694	0.9
503.18219	3.6
503.27435	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	503.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07084	0.8
69.03440	3.0
69.07056	0.8
73.02944	0.8
81.07066	1.7
85.02917	6.9
87.00787	0.7
88.85532	0.8
91.05483	1.5
93.07026	1.3
94.66256	0.8
95.08618	4.2
97.02881	3.3
105.07018	2.8
107.08603	1.7
109.06532	3.0
109.10179	7.0
113.07147	0.8
115.05378	0.9
119.04959	0.9
119.08571	2.9
121.06515	1.0
121.10150	4.5
122.03629	1.2
123.08082	0.7
123.11685	1.1
127.03936	1.2
129.06958	1.8
132.05708	0.9
133.06487	4.6
133.10126	1.5
135.11694	1.7
137.05988	100.0
137.09602	6.6
147.04356	1.0
147.08073	1.6
147.11646	1.1
151.11136	1.5
155.10719	1.0
159.08087	1.6
161.05977	14.7
163.14825	1.6
165.16374	6.1
166.80389	0.7
171.07980	0.8
175.07539	28.9
179.07074	0.8
187.07513	9.3
191.08493	3.0
193.15918	10.4
199.07584	8.1
203.08536	3.5
205.10181	0.7
211.16930	6.5
218.07320	1.0
219.08070	9.0
231.08002	6.7
236.08257	1.0
237.18394	0.9
243.14256	0.9
247.07526	5.4
248.08366	1.5
251.10683	18.2
255.19574	20.0
259.07471	5.5
260.08405	1.1
263.10718	4.2
264.07895	0.8
276.07874	1.2
277.08582	1.3
279.10144	9.5
280.10840	1.4
291.10175	9.1
292.11121	2.5
294.24042	0.8
296.10590	1.1
297.48788	0.7
311.12796	30.1
311.53421	0.7
319.08469	3.2
320.09006	0.9
323.12775	19.1
334.10764	4.6
341.13849	1.8
430.82135	0.9
503.24570	1.5
503.30997	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	503.191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34830	0.7
57.03424	1.2
60.36664	0.6
61.02935	1.1
62.49176	0.7
63.54201	0.6
65.31915	0.8
69.03429	5.2
70.65678	0.6
71.84637	0.7
73.02929	0.7
78.51808	0.6
81.03420	3.2
81.07086	0.9
85.02913	15.1
90.09123	0.7
91.05466	1.4
92.21007	1.0
94.04198	1.1
97.02886	4.8
99.04425	0.8
103.05501	0.9
105.07033	3.4
109.02859	1.7
109.06516	1.5
115.05444	1.3
117.06995	0.8
117.82385	0.7
119.08562	2.9
121.77768	0.9
122.03676	2.8
127.03909	2.9
129.06927	0.8
131.04936	4.6
132.05774	0.8
133.06474	3.1
137.05980	100.0
145.04887	0.9
147.08051	6.2
161.05965	12.1
163.07544	6.3
164.52271	0.7
175.07532	43.3
187.07507	6.7
191.08615	1.7
199.07556	13.6
203.08553	3.2
217.08720	0.9
219.08051	6.6
231.08057	8.4
235.11256	0.8
247.07562	4.8
248.08308	1.8
251.10646	15.7
259.07526	7.1
260.08304	1.7
261.09116	1.1
263.10611	7.4
276.07751	3.5
277.08536	3.7
279.10187	9.3
291.10104	13.3
292.10886	3.2
293.08014	1.2
293.11359	0.8
295.13297	1.2
296.10471	1.0
308.10391	1.8
311.09204	0.9
311.12759	25.6
323.12796	29.8
325.14279	1.9
341.14169	1.1
403.39493	0.9
503.20908	3.8
505.66278	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	503.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92568	0.6
53.66484	0.6
63.19709	0.6
69.03434	1.4
70.06610	0.8
72.08168	0.9
80.64933	0.7
81.03416	0.8
84.04514	1.0
84.08101	0.8
85.02910	4.1
86.09713	13.3
91.05483	0.9
97.02888	0.7
102.05552	0.9
105.07039	3.6
109.06544	1.4
115.05479	0.7
119.08627	0.7
122.03632	2.7
127.03924	1.2
132.10150	0.8
133.06503	4.6
137.05980	100.0
147.04366	1.2
147.08044	1.6
148.06027	1.1
149.05977	1.5
159.08038	2.8
161.05948	12.6
171.08064	0.8
175.07541	27.4
182.67679	0.8
187.07550	10.0
191.08585	1.4
199.07530	8.0
203.08652	1.4
215.13939	1.3
219.08038	11.1
220.08844	0.8
231.08092	7.5
236.08380	0.8
247.07550	4.2
248.08389	1.1
251.10654	19.1
259.07535	4.4
260.08386	1.7
261.14502	1.7
263.10696	5.5
276.07709	2.4
279.10138	11.5
280.10986	0.8
291.10062	8.2
292.10843	3.1
296.10266	0.9
308.10312	1.2
311.12793	30.9
323.12775	16.0
341.13748	3.8
356.21591	0.9
503.27362	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	503.191
Annotation	Flavaprin
Peak:m/z	Relative Intensity
50.15894	0.6
54.01812	0.4
61.02904	0.5
69.03426	2.0
73.53617	0.5
79.60289	0.5
81.03420	0.8
81.07030	0.5
85.02920	5.8
85.03349	0.6
91.05455	0.8
97.02916	0.9
97.94967	0.5
105.07050	3.9
109.06517	2.8
110.23637	0.5
115.05496	0.9
117.07004	0.7
119.08577	1.0
122.03636	2.2
129.06981	1.3
131.04938	1.0
133.06483	6.0
137.05983	100.0
138.41574	0.6
145.06473	0.6
147.04422	1.1
147.08041	2.5
149.05980	2.3
155.04889	0.7
156.67926	0.5
159.08087	1.3
160.05173	0.9
161.05975	13.3
172.05185	0.6
173.06133	0.6
175.06018	1.2
175.07532	31.5
179.06989	1.1
187.07526	9.4
191.08615	2.2
199.07516	9.5
203.08566	2.6
219.08040	8.9
231.08046	5.0
236.08266	0.6
247.07544	3.8
248.08258	2.4
251.10672	21.2
255.06548	5.8
259.07532	3.8
260.08304	1.4
263.10645	5.6
264.07690	0.9
276.07651	1.9
276.72546	0.6
277.08563	2.2
279.10107	9.1
281.08087	0.7
291.10202	7.6
292.10916	2.3
293.08069	0.7
295.13171	1.0
296.10522	2.0
308.10547	0.7
311.12766	32.5
323.12723	17.6
341.13818	2.9
361.89981	0.6
367.34244	0.6
393.21753	0.6
434.34329	0.6
458.34552	0.6
459.85516	0.6
485.18051	0.6
501.98444	0.5
503.19000	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	503.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40483	0.9
57.03442	1.2
59.80089	0.6
60.46335	0.8
61.02938	1.1
63.01353	0.8
65.44363	0.7
69.03436	6.8
70.06596	0.9
71.05001	1.2
72.08160	1.0
77.62011	0.8
81.03415	3.7
85.02909	16.5
86.09705	5.4
86.10213	0.9
89.61633	0.8
91.05460	1.5
93.07031	1.6
95.08572	1.0
97.02906	6.9
99.04463	1.0
105.07023	3.2
109.02869	2.2
109.06511	1.7
119.08613	3.5
120.08156	1.3
121.06519	2.1
121.10174	0.9
122.03651	1.6
127.03926	3.7
129.10303	1.0
131.04947	5.2
133.06477	1.3
133.83469	0.9
137.05977	100.0
145.04921	1.8
145.06436	1.3
147.04428	1.0
147.08060	4.3
149.05975	1.3
155.83965	1.0
159.08015	1.3
160.05206	1.1
161.05937	13.6
163.07516	6.4
175.07535	36.0
175.11278	0.8
183.14064	0.9
187.07487	6.8
191.08592	2.2
199.07509	13.9
201.12405	1.1
202.07719	0.9
203.08504	5.4
219.08025	5.1
227.14357	0.9
231.08003	7.0
247.07547	4.0
248.08183	1.7
251.10675	12.5
259.07507	6.9
260.08401	1.2
263.10657	8.5
276.07742	3.5
277.08591	1.7
279.10107	5.9
288.27249	0.8
291.10147	13.8
292.11035	3.5
308.10400	1.7
311.12802	20.8
323.12762	24.2
325.14285	1.3
503.20663	1.8
523.96826	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	503.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87004	0.4
53.80966	0.4
65.03915	0.5
67.05517	0.6
69.03439	2.0
79.05499	3.5
81.03418	3.2
83.04967	3.1
85.02922	0.9
89.00646	0.4
91.05489	3.2
93.07038	1.2
95.04983	2.0
103.05447	1.0
103.97074	0.4
105.07033	100.0
107.08614	1.0
110.22790	0.4
111.04432	2.4
119.04938	11.4
119.08575	80.1
121.06450	0.9
123.08082	0.5
129.05484	0.5
133.06464	10.0
133.10141	2.1
143.08617	0.7
229.08643	0.8
257.17465	0.9
258.17737	1.0
267.97269	0.6
276.16333	0.6
449.31467	0.5
459.39594	0.6
503.24368	6.3
503.31271	0.6
503.33862	0.4
503.41150	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	503.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87943	0.6
67.05533	0.6
69.03433	1.4
79.05496	3.2
81.03417	1.7
83.04999	0.8
85.02892	0.9
91.05467	4.7
95.04968	1.1
103.05467	1.5
103.19610	0.7
105.07036	100.0
111.04443	2.6
119.04940	9.9
119.08579	86.5
121.06535	0.9
133.06491	9.8
257.17569	0.9
293.10153	1.3
383.18665	1.2
503.24231	7.6
503.31284	0.8
503.34366	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	503.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01730	1.0
57.07077	4.3
71.08632	7.1
72.08990	1.5
73.66985	1.1
85.10204	5.6
89.06028	14.6
89.88734	1.0
89.98619	0.9
90.06349	2.0
93.07120	1.3
102.17172	1.1
119.08617	1.0
121.06490	8.0
122.06860	2.5
123.16868	1.1
133.08594	1.9
134.09045	1.3
147.08083	1.6
165.09128	1.2
196.09572	4.2
201.28638	1.0
213.59100	1.2
224.12572	84.0
230.89398	1.2
242.76582	1.1
247.20465	2.0
248.20970	2.4
292.23550	1.6
302.24567	1.6
359.20493	2.2
360.21075	5.7
447.93802	1.2
486.34961	19.3
503.38214	100.0
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
50.88533	0.7
77.74520	0.8
84.94581	1.0
89.68419	0.9
109.10131	1.1
121.06464	1.2
130.21349	0.9
135.08058	1.0
140.86911	0.9
196.09445	26.0
224.12573	64.8
302.24829	1.1
371.59879	1.0
503.38251	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
61.34765	0.3
67.05522	0.4
69.07092	0.4
74.91106	0.4
79.05518	0.3
81.07059	1.3
85.02890	0.4
91.18290	0.3
93.07065	0.4
95.08616	0.5
105.07041	0.5
107.08612	0.6
109.10192	0.6
119.08589	0.8
121.10186	0.4
122.03680	0.6
131.08632	0.3
133.10129	0.5
137.05975	12.4
145.10120	0.5
157.10204	0.4
159.11678	0.4
161.06013	1.6
175.07564	3.6
177.05519	0.5
187.07550	1.4
199.07602	0.7
219.08127	1.6
224.93347	0.4
231.08101	0.5
251.10648	3.0
263.10574	0.5
276.47089	0.4
277.08667	0.4
277.56418	0.4
279.10117	0.7
291.10153	0.8
311.12701	3.5
323.12756	1.5
451.33224	2.8
468.35849	9.5
469.34271	24.4
485.32355	0.4
486.36917	55.2
503.39560	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	2.0
55.50893	0.8
57.07083	1.1
58.70586	1.0
62.06130	1.1
63.01417	0.8
67.05509	5.2
68.08994	0.8
77.65942	0.9
79.05490	5.1
81.07068	2.1
83.08625	4.2
86.06085	1.6
88.07631	5.9
92.69453	0.9
93.07034	2.0
97.10158	11.9
99.04486	4.7
104.07149	1.2
107.08578	10.3
109.10181	2.3
124.11251	5.3
125.09629	11.7
133.10164	4.6
135.08073	6.6
141.51823	1.0
142.12294	7.0
150.91560	1.0
151.11180	1.2
152.10704	2.1
153.09126	4.2
170.11740	22.3
187.04945	1.0
189.00487	1.1
196.13365	2.0
197.11731	14.9
214.14377	80.9
239.29384	1.1
242.24782	13.2
311.44611	1.2
335.14874	1.1
455.38562	4.1
466.86401	1.2
503.16919	1.7
503.40604	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.4
55.18627	0.6
57.07074	0.9
59.78555	0.6
67.05508	4.7
69.03445	0.9
73.02905	0.9
79.05501	3.2
81.07066	1.3
83.08621	6.5
86.06069	2.6
88.07647	3.7
91.05474	0.8
93.07059	2.7
95.08609	0.7
97.10162	12.2
98.08501	0.6
99.04475	5.2
104.80411	0.6
107.08593	12.8
109.10186	3.4
124.11275	5.9
125.09625	17.8
132.17874	0.7
133.10159	3.0
135.08052	9.7
142.12270	10.3
152.10712	5.4
153.09128	7.2
170.11751	26.7
170.13130	1.4
171.10152	1.5
177.07698	0.7
196.13396	1.3
197.11742	15.6
214.14380	97.0
242.24921	4.4
256.26324	0.6
264.44925	0.7
270.14355	0.6
321.24551	0.7
440.35080	0.8
455.38336	1.3
500.98007	0.8
503.34537	4.7
503.40604	100.0
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
54.38519	0.9
55.05517	2.2
56.05025	1.1
57.71887	0.9
57.90473	1.1
59.13770	0.9
67.05523	2.5
69.51749	1.0
79.05474	3.9
81.07109	1.5
83.08611	4.8
86.06083	1.1
88.07557	1.3
93.07042	2.2
97.10172	12.1
99.04453	4.2
107.08592	14.5
109.10175	4.2
124.11233	5.5
125.09631	18.6
135.08076	11.7
142.12256	9.9
152.10739	2.6
153.09140	7.6
170.11751	28.5
192.58690	1.1
196.13257	1.2
197.11746	17.8
210.11040	2.6
214.14383	100.0
242.24991	1.6
244.98094	1.3
284.42191	1.1
290.26468	1.1
413.48840	1.4
413.54764	1.3
503.34195	8.3
503.40604	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	504.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22886	0.3
55.01874	1.0
57.03434	1.6
60.04502	0.4
61.02934	0.5
70.06603	3.2
72.08165	2.9
73.02904	1.9
74.06071	0.5
79.42601	0.4
80.05015	2.5
80.93822	0.4
84.04510	0.9
84.08143	1.8
85.02919	1.9
86.09706	5.7
87.04471	0.6
91.15297	0.4
96.88719	0.4
97.02901	1.7
101.07134	0.5
102.05546	0.9
106.02911	4.8
110.07150	0.9
115.03918	2.3
123.05550	100.0
124.03952	0.9
127.62952	0.4
129.10226	1.8
130.04996	0.7
130.06584	0.5
133.04982	1.5
136.05128	1.0
136.06187	28.5
137.05975	0.8
143.11888	1.4
147.04446	0.7
148.06151	0.5
159.11336	0.8
173.12817	1.6
174.05548	0.5
178.04970	0.5
178.07343	0.7
192.06525	0.7
193.97894	0.4
194.08122	1.6
201.12299	0.9
202.05022	2.0
203.08170	0.5
219.07687	1.7
220.06039	3.2
232.08353	0.9
237.08763	0.8
255.09747	9.2
268.42975	0.4
281.25931	0.4
313.18665	0.4
326.12500	1.8
352.10196	1.5
355.11481	5.8
372.14139	4.7
486.19073	0.7
487.15662	4.7
504.18588	2.3
504.27515	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	504.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26235	0.3
63.43480	0.4
68.80188	0.3
69.03395	0.8
70.06556	2.1
72.08143	0.6
73.02927	0.4
79.67645	0.4
83.02503	0.3
84.08111	0.4
85.02921	2.8
86.09676	2.0
90.55061	0.3
91.03935	0.4
97.02861	1.5
104.05289	1.5
107.04936	0.4
119.99058	0.3
127.03910	0.7
135.04417	7.4
137.05916	2.1
149.05984	7.6
163.03842	1.9
164.07062	0.4
175.06194	0.4
176.07074	0.6
177.05417	0.6
177.07845	0.4
178.08635	3.9
188.07060	29.7
189.07848	19.5
190.08627	7.5
195.08008	0.5
206.08124	12.5
223.07526	0.6
241.08488	0.6
247.07483	2.4
253.08604	1.4
255.06386	0.7
263.07028	1.4
271.09711	0.7
275.07037	4.5
281.08087	0.5
283.09613	1.5
293.08087	4.3
294.11230	0.7
308.09119	0.6
309.10019	0.8
311.09149	3.4
324.09250	0.4
324.12289	13.9
342.13361	100.0
359.00168	0.4
372.07172	0.4
398.98795	0.4
404.47952	0.4
504.18643	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	504.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29280	0.4
60.06141	0.5
66.45889	0.5
69.03402	1.1
71.35495	0.5
79.48106	0.5
85.02879	2.3
85.03389	0.4
87.23070	0.5
127.03899	0.8
135.04407	8.2
137.05913	0.7
149.05988	7.8
153.05461	0.9
163.03894	1.3
165.07651	0.5
176.07066	0.6
177.07828	0.5
178.08617	2.8
188.07074	32.0
189.07828	18.0
190.08687	7.5
206.08122	14.1
209.03149	0.5
241.08571	1.9
247.07498	2.8
253.08679	1.0
263.06940	1.0
275.06964	4.1
281.08102	1.2
283.09549	0.8
293.08099	4.9
309.10040	0.6
311.09137	1.2
324.12292	11.9
342.13358	100.0
398.32578	0.5
458.82104	0.7
489.63712	0.6
504.18652	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	504.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
65.34940	0.4
66.13251	0.4
69.49625	0.4
70.06575	0.7
74.17117	0.4
84.08118	0.8
85.02881	0.4
86.09686	1.8
92.21244	1.7
104.38519	0.4
149.02249	0.4
166.07301	3.8
191.09445	0.7
204.10191	0.5
206.11766	100.0
207.06491	0.5
342.13559	2.6
342.16992	68.1
468.27103	0.5
504.22339	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	504.223
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23259	0.3
60.83003	0.3
61.62162	0.3
63.79551	0.4
69.77193	0.3
70.06581	0.6
72.08141	0.4
84.04486	0.4
86.09693	0.8
86.28726	0.4
89.06006	2.0
112.53073	0.3
120.08103	0.3
122.40480	0.3
129.10197	0.4
165.09134	0.4
181.44353	0.3
191.09311	0.8
204.10188	1.5
206.11763	100.0
218.76602	0.3
232.79117	0.4
342.13959	1.8
342.16992	65.9
504.22305	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	504.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.7
56.05033	3.6
56.66041	1.6
60.74394	1.5
65.36053	1.5
79.05518	1.6
82.96265	1.5
83.08631	8.3
84.04508	64.6
85.02918	2.3
90.24258	1.5
92.21474	2.5
97.02866	1.4
99.39494	1.6
99.75791	1.4
102.05550	32.4
110.09665	2.3
111.08089	2.9
120.14030	1.7
130.05016	30.3
130.06503	3.0
132.08076	4.0
137.05978	3.4
138.09143	2.3
139.07539	2.8
145.02861	3.4
156.10243	7.2
157.08696	2.9
159.09178	41.4
160.07564	50.1
170.06018	12.4
175.09702	3.2
177.05489	8.4
184.07597	1.9
185.07133	2.8
187.08722	2.5
188.07085	3.3
196.07622	4.0
198.96851	3.1
199.97137	2.5
202.08627	100.0
203.18039	2.0
219.11256	14.8
237.09178	1.9
252.14044	1.9
279.14890	20.2
280.13358	2.4
286.13071	3.2
297.15997	98.1
325.15607	7.5
339.16928	6.5
357.18094	36.8
384.11957	2.6
426.20093	8.1
444.21283	29.4
458.22754	13.1
472.20877	23.9
486.22449	16.6
504.23410	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	504.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
65.91467	1.5
72.60706	1.4
73.94724	1.4
80.04994	2.1
95.08603	1.5
150.94690	3.7
154.94151	3.6
163.45103	1.5
168.95715	27.9
172.95204	12.2
186.96796	100.0
190.96338	2.5
204.97836	49.6
209.98415	3.1
210.96768	8.1
224.98355	11.2
226.99843	2.0
228.97876	11.0
242.99387	19.2
245.00807	2.2
294.67133	1.6
313.20728	3.0
331.21475	2.5
407.18863	2.8
445.20132	2.5
449.19879	16.3
463.21326	63.2
481.22458	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	504.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61204	0.6
56.05031	3.0
56.40951	0.5
60.04534	0.7
67.05488	0.6
69.07050	0.7
70.06589	3.6
71.82442	0.6
72.08147	4.5
72.71873	0.7
75.23214	0.6
79.83574	0.5
82.06581	3.2
84.04490	0.9
84.08147	100.0
86.09703	10.3
92.20978	1.0
92.27443	0.6
96.08138	2.7
110.05992	1.1
111.85913	0.7
112.07626	0.9
116.07150	0.9
119.04960	0.9
120.08102	0.9
123.09203	1.6
128.07076	1.0
129.10243	9.4
136.07599	3.8
139.08672	1.5
141.10254	0.9
147.04510	0.7
151.08676	9.3
153.10262	2.6
155.08191	3.7
159.07687	1.0
165.05516	0.7
166.09842	0.8
169.09692	9.0
177.06624	5.3
179.08118	5.7
192.10197	4.4
194.09224	14.6
195.07672	16.1
197.09227	3.0
206.09227	0.9
232.14328	4.6
242.12791	0.8
245.12976	0.8
245.18530	2.5
250.07243	1.0
259.15512	12.8
260.14005	3.6
262.15503	1.4
263.11420	3.0
277.16599	3.5
287.15115	1.1
305.16107	20.0
306.14426	9.8
315.13095	0.7
323.17075	8.3
342.17062	4.6
365.15741	0.7
486.23486	25.3
504.24451	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	504.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26279	0.2
57.55950	0.2
69.07059	0.4
73.06586	0.3
86.06038	0.3
88.07629	1.9
92.52114	0.3
94.04028	0.3
95.02454	1.5
97.10186	0.5
103.23913	0.3
112.05095	100.0
117.03612	0.3
120.80772	0.3
121.10181	0.4
125.09654	0.3
168.95786	1.4
172.95160	0.5
186.96812	4.8
192.86653	0.3
204.97867	1.5
215.12816	2.9
228.98001	0.3
242.24818	3.6
242.99420	0.5
302.19681	0.6
313.20404	0.3
449.19553	0.4
456.36890	1.3
463.21243	3.0
481.22476	0.6
504.23331	0.4
504.30817	1.2
504.38812	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	504.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07082	43.7
66.44467	1.2
69.46606	1.1
71.08593	2.4
79.73202	1.3
80.76486	1.3
89.06035	6.9
105.12537	1.3
121.06509	2.3
224.12570	12.1
225.12859	5.9
242.04251	1.7
263.04660	49.4
303.18860	1.5
319.10910	100.0
337.12006	2.0
360.21054	2.3
361.21225	2.7
375.17184	93.7
382.68225	1.5
389.02023	1.8
431.23480	22.6
487.29645	91.4
487.35587	8.8
504.32892	3.7
504.38605	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	505.134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18718	0.4
50.40912	0.3
51.24311	0.3
56.05033	0.6
66.77874	0.4
69.03418	0.9
70.06599	3.9
72.04481	0.6
72.08155	0.9
76.05127	1.5
78.72626	0.4
81.03413	2.7
81.50126	0.4
84.08166	0.5
85.02914	4.6
86.09698	2.5
87.00826	0.7
92.88357	0.4
96.05593	0.6
97.02904	1.0
99.04449	0.7
105.01875	0.7
109.02879	2.1
110.07217	0.7
116.08188	0.6
118.05006	0.4
127.03948	3.6
127.04762	0.4
129.10201	0.9
133.99345	0.4
137.02344	100.0
145.05022	0.6
147.04442	4.1
159.02753	0.7
159.09171	1.1
163.03833	0.5
177.09891	0.6
181.04938	0.5
208.07333	0.7
213.03984	0.7
231.05019	0.6
239.07034	0.9
257.08078	29.2
357.54691	0.4
505.28113	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	505.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
57.03452	0.5
61.02917	0.8
64.79723	0.3
67.05517	0.5
69.03433	4.2
69.07050	0.4
71.04990	0.9
81.03424	4.4
81.07045	0.7
82.72755	0.4
83.61385	0.4
85.02910	5.1
85.06493	0.5
87.71315	0.4
97.02894	9.6
99.04441	2.1
107.35551	0.5
109.02890	2.4
109.10137	0.6
114.63985	0.4
118.09321	0.4
119.08560	0.7
127.03888	3.1
135.81526	0.4
145.04970	3.5
167.03226	0.4
260.08322	0.4
280.66974	0.4
301.07065	100.0
320.09247	2.5
321.09555	4.2
343.08102	2.4
410.84152	0.5
505.20477	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	505.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
55.01861	0.2
57.03440	0.4
62.79229	0.2
66.95125	0.2
69.03430	5.4
71.05003	0.4
71.08611	0.2
73.02940	0.3
81.02954	0.3
81.03427	7.2
85.02911	3.7
96.86748	0.2
97.02441	0.2
97.02912	2.8
99.04441	1.4
99.71844	0.2
101.15107	0.2
103.03888	0.3
107.04949	0.2
109.02879	5.4
118.82619	0.2
121.02869	0.2
127.03917	4.5
145.04967	0.7
187.05969	3.0
222.30367	0.2
286.04675	0.8
301.07050	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.5
69.03392	0.7
70.06590	1.1
73.02908	0.6
74.00676	6.3
74.99011	0.6
84.04507	1.3
84.08152	0.8
85.02914	8.8
86.09717	5.2
90.05564	1.2
92.01708	3.6
97.02892	1.8
100.03965	0.9
102.05512	0.8
104.01694	3.9
109.02849	1.1
120.08112	11.7
121.08423	5.3
126.05524	16.8
127.04036	1.4
127.05040	17.4
129.10252	0.9
130.05077	0.8
131.04909	0.9
138.05537	1.0
143.01852	0.7
143.45245	0.6
144.06573	23.0
145.05022	1.6
145.06096	10.4
147.04445	3.7
147.07687	0.8
152.01991	4.5
157.06082	4.6
166.08656	4.5
167.08971	1.2
173.03766	0.9
191.04858	100.0
203.04901	9.0
217.01039	1.1
232.12939	0.7
235.02042	1.5
269.06271	14.1
281.06268	7.6
333.42068	0.8
343.09894	15.7
505.15204	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	505.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37140	0.4
62.58559	0.4
70.06569	0.4
70.93304	0.4
85.95940	0.4
86.23431	0.6
118.06551	3.4
126.15717	0.4
132.08110	2.4
144.08095	6.4
146.06013	39.9
152.39865	0.5
159.09169	5.4
170.05981	2.1
185.37141	0.5
188.07068	100.0
205.09717	29.7
289.15140	0.5
399.75482	0.5
414.27325	0.6
511.06418	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	505.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	10.9
54.94677	1.7
55.01899	1.9
57.03450	3.8
57.07087	29.8
67.06673	1.9
69.03436	21.5
71.04993	8.6
71.08634	37.2
81.02950	2.9
81.03426	76.6
81.07056	2.7
83.05003	3.2
85.02904	33.3
85.88575	1.7
87.00821	14.7
89.12702	1.9
92.21535	2.6
95.04946	2.6
97.02895	24.4
99.04463	41.7
103.03958	13.5
105.01848	3.5
109.02888	80.7
109.10189	2.0
111.04428	4.7
119.08549	2.2
121.06503	3.7
127.03921	100.0
129.01857	10.7
145.04953	4.0
147.02884	9.3
153.72176	2.0
167.89017	2.1
169.04964	8.9
175.46503	1.9
187.05998	8.6
213.04037	9.5
231.05020	17.4
273.06094	12.4
301.07147	6.9
356.63385	2.3
357.08127	3.1
375.09509	2.2
403.19586	16.2
408.60062	2.1
469.20810	7.1
505.22708	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	505.229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71461	2.2
56.05041	32.6
57.58001	2.3
58.82224	2.2
61.63863	2.1
62.22312	2.0
67.05487	3.6
69.07080	4.2
70.06591	8.9
72.04521	38.8
72.08157	2.3
79.05508	3.0
84.08125	3.4
86.09705	9.5
90.47153	2.3
96.08109	2.4
97.06472	3.7
107.26574	2.7
109.10163	8.5
111.52558	2.4
114.05502	5.5
117.06597	5.5
120.08128	4.2
124.07550	3.3
125.05995	25.8
130.06523	5.9
132.08073	5.4
137.04942	2.7
137.05942	3.0
142.08636	66.6
143.07037	27.1
146.06023	4.5
159.07872	3.4
159.09161	100.0
160.09659	3.5
170.06093	3.2
177.05548	3.9
177.08710	18.4
185.07065	2.8
188.07047	22.4
237.32993	2.8
241.11877	5.6
265.13324	19.8
266.11731	3.2
283.14523	36.7
301.15033	11.5
328.16519	10.3
329.14908	9.5
346.17447	3.5
416.34998	2.8
432.22287	2.6
459.22412	27.7
469.32996	4.3
487.21909	40.1
505.15723	4.8
505.22711	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	505.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.9
56.05037	6.8
60.04512	0.9
67.05516	3.1
68.05039	4.0
69.04577	1.3
69.07062	0.7
70.06596	3.6
71.04994	0.8
72.04528	1.9
74.02436	0.9
74.06082	6.2
76.05131	4.3
79.05524	0.9
80.05025	4.3
81.03440	1.9
81.04576	3.5
81.07082	1.3
83.06125	1.9
84.04498	0.9
86.09703	1.1
88.05103	1.4
91.05509	1.3
93.07045	1.5
95.04980	12.7
95.08609	1.4
96.05620	24.7
97.06506	0.8
98.07149	0.8
98.45217	0.9
99.18585	0.7
102.02997	0.7
102.05556	4.1
107.08597	1.1
108.04523	0.9
108.05587	6.2
109.06465	1.8
109.10168	3.2
110.07166	9.3
112.05090	19.2
114.06770	0.9
116.08273	0.9
117.59683	0.6
118.05029	1.1
119.08688	0.9
120.06614	4.1
120.08057	0.8
121.06519	3.7
121.10162	1.0
124.05118	0.8
125.09657	0.8
125.70589	0.8
126.06638	12.3
128.08205	4.2
134.07149	1.4
135.07690	1.2
138.06721	0.8
142.06117	1.3
149.09665	0.8
159.11729	0.9
160.07214	0.8
177.09972	0.9
202.27237	0.8
204.13812	0.9
206.11755	8.7
207.12109	5.9
227.11372	1.1
246.16119	1.0
342.17172	1.6
343.17334	8.7
353.78815	0.9
372.21231	9.9
404.23843	1.0
473.26105	20.2
505.22977	6.7
505.28787	100.0
505.66965	1.0
509.00998	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	505.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05044	6.9
59.59478	0.7
59.87118	0.8
67.05162	0.7
67.05492	2.6
68.05036	3.8
68.54638	0.9
70.06607	1.8
71.04987	0.8
72.04524	1.8
74.02443	0.9
74.06088	3.5
76.05127	4.8
79.05511	1.9
80.05019	1.6
81.03436	0.9
81.04565	3.5
81.07070	1.3
83.04908	1.0
83.06117	1.9
84.04518	1.5
86.09709	1.6
89.99344	0.7
91.05493	0.9
93.07041	1.1
93.21378	0.7
94.06538	0.8
95.04964	10.8
95.08637	1.0
96.05614	25.1
102.05565	5.4
107.04976	1.0
107.08486	1.0
108.05630	5.3
109.06435	3.6
109.10174	1.6
110.07190	7.5
112.05083	24.7
112.05782	1.4
112.73141	0.7
116.08231	1.2
118.05051	1.3
120.06616	1.9
120.08163	1.2
121.06483	1.7
121.10168	1.0
123.08052	0.9
126.06645	10.2
128.08237	3.6
134.07166	1.3
136.05116	0.9
138.06741	1.0
142.06160	1.1
143.08644	0.9
155.10696	0.9
160.07181	0.9
166.09795	1.5
173.11714	1.2
184.10881	1.0
185.12875	1.5
197.07681	0.8
204.13757	1.1
229.14433	1.0
297.17050	1.1
298.17584	0.9
372.21365	10.4
404.24023	3.4
473.25958	17.6
505.28738	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	2.9
56.04779	3.1
56.05046	76.1
67.05518	3.3
72.04520	11.7
74.06084	26.3
76.05111	3.2
76.36922	2.2
81.03429	9.7
81.07081	4.4
83.05016	3.6
83.08608	10.2
83.17187	2.0
93.07023	3.4
95.04963	2.8
95.08605	4.2
97.06515	2.5
97.10175	8.6
98.06065	19.2
102.05542	27.8
107.08575	5.4
109.10160	5.6
109.16212	2.1
116.08221	13.4
116.90323	2.2
118.05027	13.0
120.06570	25.4
124.11245	9.4
125.09647	2.3
130.75792	2.3
135.11720	3.0
136.14595	2.2
137.09711	2.7
141.50151	2.5
143.60251	2.1
144.06578	40.2
152.10719	4.9
154.12257	14.8
157.10184	2.7
160.07195	5.5
163.11203	4.8
170.11842	4.4
172.13342	11.0
172.98988	2.5
177.09856	33.2
181.12366	4.1
193.12239	5.4
210.14841	24.2
211.13306	8.3
223.13191	2.7
254.13809	2.9
271.16440	3.5
272.14999	16.8
275.20093	4.2
289.17679	19.6
293.21140	24.1
311.22095	29.3
331.18640	100.0
387.46835	2.4
433.32318	2.4
505.31210	94.8
531.70337	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	505.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74325	1.7
54.74914	1.5
55.05514	3.6
56.05042	68.7
63.06522	2.1
64.64034	1.8
67.05502	3.3
69.07060	2.0
72.04515	10.9
74.06081	26.1
79.05488	8.2
81.03388	2.3
81.07040	2.1
83.08596	2.2
95.04971	2.0
97.10160	5.0
98.06042	17.2
102.05550	27.8
107.04955	2.2
107.08618	3.0
109.10147	7.4
116.07133	5.0
116.08218	4.1
118.05001	8.1
120.06567	19.4
124.11204	11.4
125.09662	2.1
135.11642	2.6
138.05609	2.1
144.06589	43.3
148.53429	2.1
149.09531	1.8
152.10658	4.5
154.12245	16.1
160.07172	3.8
166.81198	1.9
169.15097	1.8
170.11736	4.7
172.13313	9.9
177.09882	20.0
191.10754	2.1
193.12305	3.1
210.14914	24.9
211.13371	4.1
254.13734	2.5
272.14990	16.1
275.20038	2.5
289.17520	27.8
293.21136	15.1
311.22095	20.2
331.18640	100.0
374.03354	2.4
505.31296	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	505.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12897	1.2
55.01873	1.3
55.05518	8.3
56.05040	38.4
56.42396	1.2
60.04533	2.9
63.76166	1.1
67.05508	5.7
68.05016	2.3
69.07069	1.5
70.06596	5.8
72.04530	10.8
72.04841	1.1
74.06093	8.9
79.05491	2.9
79.79366	1.1
81.03423	11.8
81.07039	5.2
83.04988	2.8
83.08610	10.7
85.10217	1.4
88.03976	1.7
91.05462	1.9
91.63732	1.3
93.07031	3.2
95.04969	10.6
95.08633	2.2
96.63044	1.4
97.10165	5.4
98.06055	99.8
102.05538	13.6
105.07033	1.9
107.08620	6.2
109.10141	2.1
111.04454	3.0
111.08064	8.1
114.05540	8.2
116.07109	9.0
118.05016	6.1
119.08592	2.4
120.06594	5.6
121.06622	1.4
121.10160	5.5
123.08086	1.6
125.09615	7.6
125.20605	1.4
131.08517	2.7
133.10152	2.8
135.11700	3.1
139.11131	1.9
142.12265	1.5
144.06566	63.4
144.07660	3.3
145.10120	2.8
147.11685	5.7
149.09654	5.4
153.12753	6.6
157.10121	2.8
159.07629	1.6
159.11636	1.4
160.06041	10.1
161.09244	2.0
163.11209	8.4
165.12764	2.1
173.09413	2.2
175.11186	6.2
177.08693	96.6
180.13855	6.7
181.12234	9.7
189.11276	3.0
191.10715	2.5
193.12210	18.2
198.14856	12.4
203.10257	1.5
211.13300	19.5
219.09756	63.8
223.13252	6.0
243.69540	1.6
247.73276	1.4
251.97586	1.3
252.69461	1.3
275.20081	5.9
293.21103	42.5
301.17700	6.3
311.22171	54.2
319.18643	16.7
487.30008	7.5
505.31198	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	11.1
56.04778	2.7
56.05045	76.6
56.71537	1.6
64.98013	1.9
67.05501	3.4
67.68515	1.9
72.04517	11.9
74.06085	34.3
76.05132	13.5
79.05489	8.5
81.03413	12.7
83.04984	4.2
83.08622	11.8
91.05474	2.9
93.07076	2.2
93.11331	2.0
95.04968	11.4
95.08598	4.5
97.10175	9.1
98.06072	19.3
98.99062	2.6
100.07644	3.5
102.05557	26.3
107.08602	4.5
109.06492	2.2
109.10166	9.8
111.04427	3.4
111.08074	3.6
116.07071	2.8
116.08223	18.6
118.05018	13.6
119.08575	3.1
120.06563	16.6
121.10132	4.6
124.11236	13.2
125.09651	10.0
135.11719	3.3
137.09645	4.4
144.06554	46.5
147.11688	3.1
149.09619	5.2
152.10706	10.5
153.12730	9.2
154.12262	12.2
160.07195	13.4
163.11221	11.3
170.11783	4.9
172.13324	15.9
175.11200	3.4
177.09842	51.9
181.12268	11.1
188.12729	4.4
188.89185	2.4
193.12234	15.2
210.14964	22.6
211.13264	16.5
223.13315	4.3
228.15984	2.5
239.15384	2.4
243.16837	2.3
254.13744	2.1
267.98044	2.5
269.45865	2.2
271.16663	2.6
272.14938	18.7
275.20016	5.0
289.17789	23.8
293.21124	42.8
311.22147	49.9
331.18646	100.0
362.76086	2.8
487.31436	2.6
505.31277	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	505.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60244	0.9
51.39211	0.8
55.05523	1.4
56.05038	5.2
60.05635	1.1
67.05518	1.2
72.04520	6.9
74.02426	1.1
74.06090	12.1
76.05132	22.0
81.03418	1.1
81.07080	1.2
83.08610	1.4
84.05624	1.0
85.95874	1.1
93.07061	1.0
95.04954	1.9
95.08586	2.3
100.07603	1.3
100.31396	1.1
102.05553	1.2
102.06698	1.0
109.06454	1.4
109.10183	4.0
116.08226	20.4
118.05019	14.6
120.06574	5.2
126.05577	1.2
126.06652	4.4
127.07426	2.5
128.07100	2.2
133.10173	1.1
138.05519	4.0
140.08195	2.5
146.08136	5.5
147.11778	1.2
154.12288	11.3
160.07181	21.8
172.13368	12.7
177.09840	20.3
182.12999	1.1
193.12265	1.1
196.14363	1.6
210.16156	1.9
211.13313	1.4
240.17065	5.8
250.15521	2.2
253.15405	1.7
257.08011	2.0
268.16577	9.0
269.17261	8.5
270.18015	1.7
286.17670	8.9
293.21194	1.7
386.26434	5.8
387.22299	8.8
487.31345	20.6
505.32294	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	505.337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35049	1.9
55.05513	11.7
57.07082	5.7
59.28372	1.9
67.05515	18.7
67.83599	2.6
69.03439	2.4
69.07065	43.9
70.06581	2.8
71.04987	4.6
71.08630	5.4
79.05489	9.7
81.07060	100.0
83.04973	2.6
83.08615	17.6
83.33232	2.1
85.02895	20.4
85.06547	24.0
91.05463	3.4
93.07046	41.2
94.10345	2.0
94.58311	2.1
95.04961	3.5
95.08614	87.3
97.02888	3.4
97.06538	4.0
97.10178	12.7
99.08105	24.5
105.07038	25.3
107.08597	44.8
109.10158	53.9
111.08075	3.4
111.11726	9.3
113.09644	3.5
119.08556	21.4
121.10136	48.5
123.11726	27.8
125.09602	5.2
127.03909	2.3
133.10127	17.2
135.11694	45.4
137.09615	2.6
137.13229	9.7
139.11188	14.3
145.10132	12.9
147.11665	23.7
149.13258	24.4
153.12794	3.8
159.11681	12.9
161.13245	14.9
163.14853	9.8
165.12772	4.3
173.13219	3.9
175.14803	5.0
177.16394	24.8
186.46880	2.3
189.16330	4.9
195.17471	14.1
213.18484	30.5
271.24152	10.1
277.25299	5.6
289.25146	29.0
295.26257	20.0
307.26300	53.1
307.29584	4.6
325.27316	44.8
328.17102	2.7
343.28400	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	505.3521
Annotation	weigelic acid
Peak:m/z	Relative Intensity
55.01878	21.5
55.05521	37.3
57.03423	6.3
67.05238	4.2
67.05515	76.0
69.07077	49.8
71.04974	5.4
71.56531	4.2
79.05492	41.5
81.07059	99.3
83.05005	6.3
83.08619	28.2
91.05483	60.2
93.07030	78.5
95.04958	20.2
95.08608	76.0
97.06533	39.1
97.10164	21.7
105.07026	73.2
107.04992	6.9
107.08591	48.4
109.06535	27.9
109.10122	38.3
117.07002	26.7
119.08578	73.5
121.06502	20.0
121.10154	48.8
123.08074	9.3
123.11711	8.4
125.09584	9.6
129.06992	11.2
131.08554	42.9
133.10129	64.7
135.08092	7.2
135.11696	20.6
137.09676	8.4
141.07056	4.6
143.08553	29.1
145.06526	5.0
145.10153	46.8
147.07974	5.0
147.11665	53.6
149.09596	20.7
149.13246	10.8
157.10081	33.5
159.11673	31.8
161.09561	5.4
161.13197	16.7
163.11127	6.6
169.10147	21.1
171.11711	25.0
172.21112	4.7
173.13266	11.3
175.11229	5.2
177.12787	7.2
181.04897	7.6
183.11685	10.2
185.13242	11.5
187.11304	6.2
189.11058	5.2
195.11725	5.7
197.13327	6.4
199.14856	7.1
209.13293	6.4
223.14914	6.4
249.18600	5.7
261.18423	5.0
275.20065	76.4
293.21109	30.7
301.21753	5.4
320.09106	10.5
321.09546	10.3
339.23300	5.5
357.24265	7.5
373.27414	5.3
375.25317	17.1
393.26666	6.0
423.32217	5.0
424.37479	5.9
433.30655	7.4
441.33829	4.9
451.32324	36.0
457.15930	4.9
459.34314	5.2
469.33038	65.5
487.34171	100.0
505.19943	7.5
505.35333	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	505.3523
Annotation	Protobassic acid
Peak:m/z	Relative Intensity
50.58449	1.9
53.96951	1.7
56.19597	1.8
57.07075	2.0
61.95458	1.9
67.05510	28.9
69.03425	4.6
69.07062	9.6
71.04987	2.9
79.05472	4.8
81.07062	16.7
83.04945	2.1
83.08603	4.6
85.02906	3.5
86.09708	4.8
91.05463	2.8
93.07060	10.3
95.04951	3.0
95.08607	21.1
96.05263	2.0
105.06987	2.8
107.08585	16.0
109.02922	2.5
109.10159	100.0
111.08076	2.3
119.08559	13.7
120.08101	2.6
121.10136	13.0
123.11718	3.9
127.03900	4.6
131.08592	3.1
133.10114	9.4
135.11685	9.1
143.08546	3.8
145.10094	5.1
147.08028	2.3
147.11699	2.7
149.09578	2.9
149.13245	4.1
157.10133	3.2
159.11641	10.1
161.13260	2.8
163.11133	3.0
171.11687	4.1
173.13255	11.3
175.14822	4.8
177.05539	2.5
183.11688	2.6
185.13190	2.6
187.14789	3.4
197.13167	3.1
199.14819	11.4
206.83130	2.3
213.16354	3.7
225.16388	3.6
236.80502	2.6
241.15918	4.3
259.16971	3.3
273.18362	3.3
285.72171	2.8
301.07101	40.0
301.17902	2.9
320.09116	3.1
321.09515	5.4
409.31128	3.0
427.32281	8.4
433.30988	3.7
451.32016	8.6
487.33871	4.1
505.19958	2.4
505.35025	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	506.202
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05005	0.9
59.74331	0.8
70.06578	5.8
71.30421	1.0
72.08146	1.6
72.33532	1.0
84.08146	2.5
85.02899	2.2
86.09706	1.9
129.10260	2.2
133.17894	1.2
135.04404	2.4
137.06021	1.7
138.23956	1.1
151.07567	8.7
152.53017	1.1
152.84445	1.2
180.10239	5.6
180.59750	1.2
190.08618	37.6
191.09369	19.1
192.10220	6.2
208.09741	13.0
241.08754	1.3
249.09076	1.7
257.08069	1.2
277.08643	4.0
282.30954	1.1
283.09659	1.2
295.09692	2.5
313.10641	4.2
326.13895	11.4
344.14899	87.1
506.20139	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	506.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19331	0.5
55.05523	1.0
61.55512	0.4
69.03440	4.8
70.06595	3.7
81.03417	1.4
83.05005	0.7
85.02912	8.3
86.09687	1.2
87.00837	1.3
87.04465	0.6
95.04958	0.6
97.02879	2.6
99.04475	1.2
105.01871	5.1
109.02884	2.3
109.06526	0.7
119.07345	0.7
120.08083	0.7
123.08085	1.3
125.06005	1.0
127.03919	5.0
135.04417	5.4
137.06001	4.5
143.06674	0.6
145.04984	1.4
147.04344	0.8
147.08086	2.4
147.71956	0.6
148.83788	0.6
151.07542	8.3
153.05449	0.7
159.11736	1.0
163.03886	1.0
163.11147	2.6
165.09125	3.6
173.09285	0.6
176.80177	0.6
177.05461	2.3
180.10184	5.0
190.08626	36.0
191.09389	16.6
192.10194	6.1
194.11674	0.7
205.12207	4.9
208.09714	12.3
223.13280	7.6
231.05122	1.0
249.06238	0.9
249.09032	2.4
253.08559	1.1
263.07089	2.7
269.12985	0.8
277.08661	4.0
283.09619	0.9
285.11151	1.0
294.11465	0.8
295.09610	3.3
313.10663	2.4
326.13928	8.6
344.14920	77.3
484.28168	0.7
506.20221	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26963	1.2
54.50292	1.1
55.01867	1.6
57.03450	2.1
62.23108	1.2
69.03444	14.5
70.06583	2.7
71.04991	2.4
73.02908	2.4
75.36251	1.3
81.03419	6.3
83.04980	2.8
85.02911	34.4
85.06511	2.1
87.00824	16.1
87.80432	1.4
89.26369	1.4
93.07050	2.4
95.04959	2.5
95.08598	2.2
97.02904	22.2
97.06524	11.3
99.04443	6.7
102.60128	1.5
105.01852	12.0
105.07018	2.4
107.08604	10.0
109.02882	16.9
109.06516	5.9
109.10146	2.6
111.08069	6.1
119.08595	3.0
121.06470	2.4
121.10136	16.6
123.08027	3.1
123.69555	1.4
125.05981	3.1
126.99978	1.2
127.03912	26.8
127.07551	3.4
129.01752	1.3
132.54999	1.4
133.10153	7.4
135.08060	2.9
135.11707	19.2
137.09616	6.7
139.07576	7.2
142.88911	1.5
143.08626	1.6
145.04956	9.7
145.10120	9.1
149.05968	6.3
151.11176	6.7
153.12698	1.8
159.02895	7.2
159.11678	23.8
161.09612	36.2
161.10851	2.7
163.11171	65.5
167.06993	1.6
175.11217	2.8
177.12741	14.2
179.10701	7.4
187.11218	10.1
205.12241	41.5
223.13293	100.0
231.04985	6.5
247.13173	1.9
265.14325	6.6
267.27771	1.4
344.13968	2.8
395.56387	1.6
401.30399	1.5
435.16116	2.4
506.19229	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	506.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01182	0.8
55.33552	0.9
57.31913	0.9
57.37677	1.0
64.04070	0.8
67.05479	1.1
68.90219	0.9
79.08913	0.9
81.07051	6.0
91.05503	1.6
93.07079	1.1
98.49052	1.0
109.06534	14.0
119.04977	1.0
120.08109	89.2
127.07568	1.1
130.06517	5.9
131.05324	1.0
132.08090	7.2
136.07664	1.1
137.05994	34.3
144.08115	1.5
146.06071	7.9
159.09177	100.0
160.07579	1.5
166.08658	2.4
169.07610	2.1
170.05984	4.2
182.71567	0.9
185.07230	1.4
187.08733	3.9
188.07083	21.6
193.10243	1.0
205.09753	2.2
218.68648	0.9
226.41992	1.1
244.11176	1.1
256.13315	9.4
256.91983	1.1
260.10828	1.1
267.14835	1.3
274.14389	6.9
277.13290	7.4
295.14447	15.1
302.13885	4.8
313.15460	11.1
323.13812	4.8
341.15170	7.1
359.16083	1.9
442.21274	1.7
460.22382	44.0
488.21814	18.6
506.22836	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	506.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44889	0.4
51.62471	0.4
69.76845	0.5
70.06591	5.7
74.05727	0.6
74.06068	4.2
78.38733	0.6
91.51569	0.5
100.07599	0.7
109.10925	0.5
114.05594	0.7
115.08692	10.3
116.07100	22.4
120.08108	100.0
130.04994	2.7
142.08635	1.2
143.08138	8.2
153.10127	0.6
170.65237	0.5
171.11264	1.0
173.09233	0.6
176.10696	6.2
181.09694	0.8
186.09119	4.1
191.11806	2.1
199.10739	2.6
201.10234	0.7
203.11839	0.6
217.11787	9.3
219.11304	1.1
221.12834	4.7
227.10234	5.3
231.11246	2.5
245.12901	1.1
249.12340	7.0
290.14996	4.1
302.14990	0.8
305.89087	0.5
320.15875	0.8
345.19165	1.0
346.17566	4.9
363.20337	2.8
364.18497	0.8
373.18689	3.2
391.19754	31.4
488.25000	11.1
506.26370	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	506.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22386	0.4
56.05027	0.5
58.37230	0.4
60.04247	0.6
60.04530	13.4
60.30322	0.5
61.87651	0.5
62.08578	0.4
62.34105	0.4
64.59528	0.4
69.03416	0.6
71.04990	0.8
72.04500	0.4
74.06081	0.6
75.14314	0.4
82.06583	0.9
83.08647	0.6
86.06054	3.2
87.04472	17.9
98.06056	5.3
100.07625	4.2
104.30236	0.5
112.07547	0.6
116.07090	2.8
128.07080	55.0
142.12227	0.5
146.08125	100.0
196.51910	0.5
210.14847	0.8
228.15956	1.0
246.16959	13.4
336.12326	0.8
430.49011	0.5
488.31937	3.6
506.33249	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	506.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19829	0.6
54.81522	0.5
56.05051	0.8
60.04532	15.1
67.05501	0.8
69.03436	1.3
71.04987	0.7
72.04505	0.7
76.05134	0.7
80.34126	0.7
81.07059	0.7
82.06599	1.0
84.04485	1.0
86.06081	3.0
86.09444	0.7
87.04467	20.1
98.06084	5.1
100.07629	4.4
104.07079	0.8
112.07615	1.1
116.07081	2.8
128.07082	58.2
128.22372	0.8
138.94844	0.6
146.08125	100.0
149.06787	0.7
150.03011	0.7
177.08809	0.8
188.79904	0.8
193.12300	0.9
210.14877	1.2
211.09906	0.7
228.15857	0.8
229.14401	0.7
246.16972	11.3
336.12402	2.8
392.22247	0.8
488.32236	1.1
495.89594	0.7
506.33282	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	506.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
60.52888	2.2
67.05505	15.0
67.58749	2.4
69.07063	4.1
81.07059	12.4
83.04978	4.0
85.96436	2.6
93.07037	12.5
95.08616	15.1
101.36731	2.6
105.07024	10.9
107.08627	7.1
109.10160	63.9
119.08569	12.1
121.06577	3.1
121.10139	14.8
123.08018	3.7
131.08583	4.4
133.06505	18.0
133.10132	5.3
135.04416	39.7
135.08090	4.2
145.10121	23.5
147.11668	5.6
149.05980	67.8
149.13213	6.5
154.12320	21.2
159.07976	3.4
159.09204	3.7
159.11630	10.2
161.13272	11.7
165.13274	2.9
173.09702	4.4
177.09158	6.3
182.49596	2.9
187.14798	34.0
205.15891	4.8
215.14297	51.2
233.15340	51.7
395.29422	6.5
417.31601	5.1
435.32599	85.9
453.33578	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3294
Annotation	Iriomoteolide 1a
Peak:m/z	Relative Intensity
51.45850	0.5
53.57603	0.5
53.86003	0.5
55.05534	0.6
56.51702	0.5
57.07078	0.9
59.72456	0.5
63.58689	0.6
67.05510	0.8
68.08371	0.6
79.05519	0.7
81.07068	1.3
83.08621	0.6
89.43533	0.7
95.08617	1.3
97.02895	1.3
109.10194	1.0
111.04227	1.2
113.35030	0.6
127.03716	1.2
145.62627	0.6
155.06821	3.2
171.06329	2.4
192.13927	0.6
243.12115	1.0
259.77240	0.7
381.18829	2.5
421.21933	4.4
444.10324	0.7
507.32925	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	13.4
62.61988	5.5
67.05500	14.1
69.07076	30.3
77.14467	7.2
81.07062	100.0
83.08635	15.8
85.02904	38.8
85.06531	16.1
86.24700	7.0
93.07035	30.8
95.08608	77.2
97.02866	10.4
97.10172	11.3
99.08079	9.2
105.07085	8.5
107.08620	60.8
109.10155	81.0
111.11694	10.2
114.75880	7.4
119.08551	12.1
121.10143	56.7
123.11696	33.8
133.10103	10.2
135.11658	38.2
139.63884	6.9
149.13278	55.0
163.14798	31.7
177.16350	16.6
191.17979	8.5
241.07567	8.4
273.25824	16.6
291.26828	97.5
309.27792	7.7
327.29050	8.9
358.42181	8.0
371.82916	7.9
380.58209	7.6
453.55231	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	507.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34092	5.6
52.25019	5.8
53.96653	5.6
54.28165	5.3
55.05525	11.0
57.07100	6.7
58.55672	5.1
67.05505	8.6
69.03410	6.3
69.07075	50.5
81.07066	97.4
83.08608	27.8
85.02906	12.8
85.06541	41.5
92.21432	7.6
92.65409	6.4
93.07049	28.0
95.08610	100.0
97.10166	9.3
99.08091	36.2
107.08598	32.1
109.10183	56.6
111.11735	9.4
119.08587	6.1
121.10120	46.3
123.11691	33.9
127.03967	9.2
135.11679	35.5
137.13333	23.0
147.11781	8.8
149.13249	34.8
156.86211	6.1
163.14806	14.1
177.16437	32.2
195.17424	27.5
206.71631	6.7
211.46400	6.5
213.18408	75.2
291.26797	33.8
297.28030	8.6
309.27863	48.6
327.28833	12.9
511.00082	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	507.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	14.2
57.07081	21.4
57.52271	2.3
57.77546	2.5
59.05010	3.1
61.96565	2.6
62.34397	2.5
65.66840	2.9
67.05531	20.9
69.07068	46.1
71.08631	6.1
72.33360	2.6
79.05505	5.0
81.06620	4.6
81.07065	93.8
83.08615	14.7
85.02911	4.4
85.06546	24.1
88.02511	3.2
93.07030	23.4
95.08000	4.5
95.08607	76.0
96.96157	3.3
97.10184	5.3
105.07037	15.0
107.08601	27.3
109.10156	54.1
111.08102	3.4
111.11724	7.5
119.08568	12.6
121.10141	49.0
123.11694	100.0
133.10091	6.9
135.11710	23.4
137.13264	29.8
139.11214	3.7
141.12752	25.5
147.11702	18.4
149.13246	17.5
151.14832	4.7
161.13255	21.1
163.14804	6.9
167.14288	12.9
177.16309	5.3
179.14256	4.3
189.16266	5.6
191.17923	21.2
203.17863	3.5
213.18468	49.0
217.19557	5.9
221.18936	3.3
273.25552	21.0
291.26801	51.0
309.27792	41.0
327.29172	10.5
367.49063	3.1
412.91580	3.5
482.14429	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	507.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76717	2.1
54.57461	1.9
55.05521	10.6
57.07060	3.8
67.05515	17.4
69.07073	36.7
72.08160	14.0
72.66386	2.8
75.14562	2.2
79.05495	5.7
81.07064	100.0
83.08630	15.8
85.02912	15.1
85.06553	81.2
86.09708	6.0
92.21342	14.0
93.07064	17.8
95.08611	93.8
97.10166	17.4
99.08094	21.6
102.05494	2.9
105.07071	3.0
107.08593	40.8
109.10154	54.9
111.08076	10.4
111.11732	15.1
119.08618	9.8
121.10152	36.4
123.11718	44.9
125.09647	4.4
133.10112	3.4
135.11703	21.3
137.13252	32.2
139.11200	5.5
147.11656	4.4
149.13260	53.5
151.14854	4.1
154.79596	2.4
163.14795	20.8
167.14388	3.2
175.14906	2.9
177.05351	2.9
177.16370	19.1
191.17856	2.9
195.17453	5.6
196.72864	2.4
213.18463	46.7
215.13928	10.0
218.37567	2.7
258.69244	2.4
273.25745	2.5
279.26920	11.9
280.97290	2.3
291.26877	33.6
296.61310	2.4
297.27942	14.7
309.27847	49.6
327.25330	4.2
327.28934	73.8
345.30060	12.7
394.32104	2.7
440.76913	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	507.3771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64206	0.8
54.29000	0.9
69.07061	1.2
72.64716	0.9
86.09717	2.0
87.58855	1.0
87.63219	1.1
93.18654	1.1
108.94655	1.1
114.27193	1.1
120.08083	8.9
137.37863	1.0
210.11031	42.8
292.83176	1.2
320.25562	21.5
388.39041	1.1
395.63379	1.1
507.37656	100.0
516.85437	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
55.01865	1.2
57.03416	4.7
58.70989	1.0
61.01151	1.1
63.94800	1.0
68.05038	16.5
70.06599	8.8
72.08133	2.7
73.02908	3.6
74.06079	1.6
76.05106	1.8
84.04469	1.5
84.08154	9.7
85.02851	5.2
86.06075	100.0
86.09247	1.3
86.09707	27.6
96.04431	1.8
100.07614	1.3
102.05497	1.1
104.05304	2.1
110.07134	2.4
115.03874	2.7
120.08038	6.1
128.07076	15.3
129.10243	9.7
130.04958	1.5
133.04893	1.4
136.07559	2.1
150.05838	10.7
151.08621	1.7
152.78413	1.1
168.70547	1.1
169.09639	2.3
177.09874	1.8
183.14960	1.3
188.15298	1.1
197.09038	1.3
199.08925	1.3
199.14322	5.3
215.10069	2.0
217.10048	1.9
218.10120	1.7
236.80623	1.3
245.09544	1.4
263.10602	89.0
305.11462	6.1
312.91965	1.1
359.12546	2.1
359.17923	4.6
376.18707	8.3
378.06805	1.2
395.14865	34.8
407.21866	2.5
418.19812	1.9
482.14896	1.5
508.15356	2.4
508.22733	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	508.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26749	2.7
51.34100	2.9
55.05500	3.6
64.14265	3.7
66.00959	2.8
67.05505	3.5
69.03432	36.0
70.06592	19.5
71.05026	3.3
72.08172	8.4
77.34879	3.8
81.03451	13.5
84.08135	22.4
85.02904	42.0
86.09705	24.2
87.00832	13.5
92.21407	4.3
93.07034	6.8
95.04975	4.9
95.08604	18.2
97.02888	21.2
99.04424	5.5
105.01875	39.4
105.07048	16.7
107.08595	14.4
109.02904	13.4
119.08604	5.1
120.08123	24.6
121.10149	37.8
123.08059	50.9
127.03928	36.2
129.10228	15.8
133.10153	4.0
136.07571	7.9
137.13260	4.5
145.02788	3.9
145.04953	8.5
147.07974	3.7
147.11685	6.3
149.05890	4.3
151.07544	43.8
159.02809	3.7
161.13229	23.6
163.11198	32.7
165.12772	26.0
189.12733	20.4
207.13817	100.0
207.15781	4.7
225.14862	14.0
231.04959	8.4
248.55916	3.4
249.06053	6.5
508.18265	5.9
508.31689	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	508.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01887	2.0
55.05519	7.5
56.22795	0.8
57.07073	1.2
61.02929	2.5
67.05502	4.3
69.03062	1.3
69.03436	38.2
69.07072	1.2
73.21229	1.0
79.05508	1.4
81.03431	8.3
81.07068	2.1
83.04966	3.7
85.02915	49.8
85.06540	2.3
87.00834	20.2
91.05473	2.5
93.07066	7.8
95.04974	5.1
95.08614	15.2
97.02901	18.7
97.06514	1.2
99.04447	7.3
105.01875	33.6
105.07039	14.0
105.85307	1.2
107.08614	6.9
109.02878	15.2
109.06532	4.4
109.10148	2.5
111.08091	5.1
119.08601	14.6
120.08169	1.4
121.10154	42.5
123.04477	1.6
123.08069	61.1
123.08949	2.3
125.09631	5.2
127.03928	35.6
129.01891	1.7
133.06509	6.9
133.10149	5.8
135.08046	4.9
135.11714	7.6
137.09622	2.4
137.13283	7.5
145.04961	11.0
145.10109	1.6
147.02869	1.5
147.08058	4.2
147.11707	11.5
149.09639	2.6
151.07550	40.5
151.11183	4.4
157.05170	1.1
159.02885	6.9
161.09634	1.2
161.13284	21.7
161.19388	1.0
163.11179	35.9
163.12573	1.4
165.12738	38.3
165.14044	2.1
171.11639	1.6
174.10411	1.5
179.14339	4.5
184.34998	1.3
189.11182	2.2
189.12747	28.9
207.13803	100.0
211.83675	1.2
225.14920	8.7
231.05064	11.4
249.06053	10.0
273.14932	1.2
354.46371	1.2
419.16986	1.4
437.18091	5.2
440.99518	1.1
455.19183	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	508.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07074	0.6
81.07004	0.4
83.08626	3.9
86.00655	0.3
93.07050	0.5
103.05449	2.3
109.10208	0.4
110.09695	0.5
111.08076	1.4
115.80566	0.4
118.06554	0.4
120.08102	100.0
130.06535	5.3
131.04922	1.3
132.08080	5.4
138.09186	0.7
139.07556	0.8
142.06502	0.8
144.08092	1.5
146.06007	9.3
149.06026	0.4
156.10190	0.7
157.08609	1.5
159.09172	85.6
160.07593	0.9
166.08636	2.3
169.07578	0.6
170.06003	5.7
175.09665	1.7
182.08322	0.5
187.08681	3.3
188.07056	29.5
196.07576	1.8
205.09747	5.0
217.78148	0.4
232.11362	0.4
240.13823	3.1
244.11269	1.7
258.14862	14.7
261.13919	0.7
262.12500	0.4
276.16034	4.0
279.14908	7.3
280.13382	0.5
297.15970	24.2
304.15421	2.4
315.17017	6.7
325.15350	3.6
343.16580	5.4
361.17526	0.7
416.23465	0.7
444.23035	2.9
462.23846	29.3
490.23328	15.4
508.24481	22.6
508.32187	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.267
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04974	3.6
55.01883	3.6
55.05522	7.3
56.95483	3.6
62.06086	7.2
65.98829	3.0
67.05507	18.5
69.03438	3.8
69.07069	7.1
71.08630	18.4
78.79473	3.7
79.05511	5.2
81.07052	23.1
81.61792	3.5
83.08630	4.9
84.81713	3.7
85.06500	3.6
91.05460	5.0
93.07072	7.6
95.04926	3.8
95.08621	5.9
97.10151	6.7
98.98476	22.7
99.08108	8.4
105.07044	4.5
107.08598	15.3
109.10169	8.1
120.91216	3.3
125.09670	5.2
133.10167	12.2
134.54433	4.0
135.11694	6.1
151.11325	4.7
153.09123	4.9
159.11708	4.4
220.79634	3.8
226.81366	4.4
253.14276	4.5
275.20050	21.3
293.21085	100.0
322.10522	8.1
323.11456	4.7
336.12173	34.7
337.12866	7.2
350.13599	4.2
367.24753	71.6
429.20416	48.2
447.21442	37.5
490.25497	20.2
502.17548	4.0
508.27612	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	508.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26738	2.2
53.30288	2.3
55.01878	3.6
55.05510	5.8
57.03440	3.4
59.24054	2.5
67.05495	31.9
68.98426	2.2
69.03434	4.6
69.07069	26.2
71.04977	3.3
79.05492	22.7
81.03395	5.6
81.07056	63.4
83.04993	3.5
83.08614	21.1
85.02915	32.2
85.06567	5.2
91.05479	21.5
93.07026	38.1
95.04956	4.5
95.08610	40.1
96.08931	3.5
97.02884	3.4
97.06520	11.4
97.10145	14.1
99.08084	10.1
103.03976	2.8
105.07027	15.2
107.08587	44.7
109.02853	4.6
109.06474	4.7
109.10154	16.6
111.08097	4.4
116.14442	2.5
117.06982	9.5
117.69456	3.2
119.08571	18.6
121.10129	23.6
123.08006	3.0
123.11694	10.5
125.09625	16.7
127.03912	13.3
131.08553	19.9
133.10117	34.0
135.08099	2.9
135.11684	26.4
145.10109	16.2
147.11681	17.2
149.09593	15.6
149.13246	39.5
151.11166	5.7
159.11665	25.0
163.11110	5.3
167.14218	3.4
171.11552	3.1
173.13213	4.1
177.12730	4.9
183.11665	2.9
189.11285	3.2
195.13766	47.0
213.14818	72.6
213.18300	3.3
220.63206	3.0
235.16896	14.2
239.17931	4.4
249.14754	4.8
257.18964	9.8
275.20029	100.0
292.27042	4.7
293.21060	45.1
298.28214	2.8
310.28433	8.5
311.21802	4.0
323.97495	2.8
339.18045	4.2
357.19162	3.4
477.32993	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	508.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.7
60.08170	9.9
67.05492	0.8
69.07098	1.2
71.07387	1.2
75.97025	0.6
77.44193	0.7
79.05495	0.9
81.07047	1.0
83.08624	1.0
86.09709	33.2
95.08625	1.6
98.98469	0.7
104.10751	86.1
121.10176	3.2
121.25678	0.8
125.00002	15.3
130.43987	0.9
150.35127	0.8
150.56851	0.8
184.07341	100.0
295.70203	0.9
325.27377	1.1
352.18884	0.8
490.32797	6.4
508.33957	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	508.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56578	0.6
56.05043	7.0
63.17858	0.7
67.05497	6.9
68.48550	0.8
69.07072	1.7
74.68874	0.7
79.05491	1.2
81.07069	5.7
83.08604	0.9
85.02914	1.2
91.05491	3.5
93.07073	1.1
95.08584	1.2
97.10178	1.1
107.08598	2.2
109.10160	10.2
112.26394	0.9
119.08629	1.3
123.11707	1.3
123.65104	0.9
124.11194	1.1
125.09661	1.5
133.10159	3.2
134.24678	0.8
136.11243	4.4
137.09666	4.1
150.12831	1.5
151.11182	1.4
153.13872	2.1
154.12270	100.0
167.15437	8.1
168.13838	84.1
170.11790	1.5
171.14992	1.8
185.16498	26.6
185.18048	1.4
186.15009	1.2
203.00085	1.1
286.21704	9.9
303.24319	16.6
304.22690	10.7
305.22302	1.4
306.20770	3.9
320.27051	5.4
321.25345	88.2
324.21826	4.3
338.28061	8.7
341.24542	1.5
386.84070	1.0
391.83759	0.9
472.35681	1.0
473.34207	0.9
490.36572	7.5
501.48196	1.0
508.37503	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	508.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74332	0.5
56.05042	4.7
67.05503	2.9
69.07072	1.2
79.05492	1.0
81.07072	2.9
91.05441	0.8
93.07043	2.6
95.08607	2.8
100.67422	0.7
105.84859	0.7
109.10181	8.3
116.39622	0.7
119.08585	1.3
121.10152	0.8
133.10153	0.7
136.11252	3.0
137.09608	2.8
138.12790	1.3
139.11151	1.3
153.13890	3.9
154.12274	100.0
168.13889	1.5
171.14941	15.7
182.15407	9.9
199.18135	1.4
216.57867	0.7
238.51810	0.7
272.20093	5.0
289.22675	8.8
290.21201	3.8
297.34088	0.7
299.13919	0.7
306.25391	3.7
307.23810	39.7
317.25790	0.9
318.24094	1.0
320.22119	1.0
321.25333	1.3
324.26431	4.4
335.26926	8.3
338.23175	1.1
352.29532	0.8
490.36246	2.8
508.37466	27.7
508.44778	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	509.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	12.5
57.03438	6.8
57.07071	1.9
67.05510	33.1
69.07066	16.4
70.30148	0.7
71.08629	1.1
78.95699	0.8
79.05487	8.3
81.07059	41.0
83.08638	9.7
85.06556	1.4
91.05464	5.0
93.07057	13.3
95.05005	0.9
95.08607	35.9
95.97796	0.9
97.06525	1.8
97.10187	4.7
98.98469	30.8
99.42625	0.9
105.07014	5.5
107.08588	7.9
109.10162	16.1
111.11771	0.8
112.05022	0.9
117.46465	0.8
119.08566	4.9
121.10133	6.5
123.11693	6.1
133.10161	6.5
135.11717	5.0
137.13261	1.5
147.11670	2.0
151.11151	0.8
155.01027	21.4
161.13226	2.2
173.02072	7.8
174.93683	0.9
175.14877	1.3
184.60646	0.9
229.04753	1.5
230.13742	1.0
245.22682	1.3
247.05855	1.2
263.23682	6.1
294.24268	1.7
337.27353	100.0
344.32739	0.9
473.26636	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	509.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.8
57.07074	4.1
64.02802	0.9
67.05508	5.9
68.31313	0.8
69.07069	11.8
71.08636	1.6
74.55782	0.8
79.05491	2.0
81.07061	14.6
83.08624	8.5
85.06538	1.1
86.06067	1.0
91.05494	2.0
93.07049	5.7
95.08610	10.3
97.06521	2.0
97.10170	2.4
100.07608	1.5
105.06963	1.2
107.08598	5.8
109.10139	7.0
111.08064	4.2
113.80593	1.0
114.09161	2.1
121.10140	7.7
123.11700	3.6
133.10110	3.9
135.11658	2.0
139.11192	1.3
149.13261	15.1
156.13902	1.4
159.11710	1.2
166.15883	16.6
167.14291	6.9
169.09741	1.2
177.12746	1.5
178.49710	1.0
184.13345	11.5
184.16949	6.1
202.14366	2.1
212.16452	100.0
217.96370	1.0
230.17499	34.7
245.22682	2.2
263.23724	4.8
280.26331	15.9
308.29495	1.6
509.37219	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	509.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	2.5
57.07082	1.8
67.05499	9.8
69.07066	8.9
71.08627	2.2
79.05510	1.6
81.07063	8.3
83.08623	10.6
86.06068	1.6
90.72018	1.5
91.81712	1.5
92.21023	2.8
93.07048	6.8
95.08608	8.7
97.06517	1.5
97.10182	3.3
100.07649	1.9
107.08601	3.2
109.10159	9.6
119.08592	1.5
121.10119	3.1
133.10121	2.6
135.11694	3.1
139.11192	1.6
149.13266	16.7
150.46837	1.4
159.11665	2.6
166.15900	17.2
167.14293	7.2
184.13359	7.3
184.17001	8.5
193.09209	1.5
194.15294	2.1
212.16454	100.0
230.17496	33.9
245.22702	2.9
280.26309	14.9
460.93326	1.6
509.33020	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	510.218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31212	1.2
53.03962	13.9
54.46258	1.2
55.05525	2.6
57.03437	2.0
61.02928	1.6
69.03432	16.1
69.07072	1.1
69.95403	1.4
71.04990	2.7
73.02927	6.2
77.81795	1.6
81.03430	38.9
85.02913	51.8
86.20815	1.2
87.00834	25.5
90.66312	1.6
92.21180	5.8
97.02897	45.6
99.04458	20.6
103.03933	12.3
104.23455	1.5
105.01875	27.7
109.02888	91.1
109.37923	1.5
114.09194	12.4
127.03923	100.0
129.01840	7.3
145.04968	21.5
147.02910	3.5
149.34222	1.3
159.02881	20.4
163.05992	2.5
187.05936	1.5
213.03931	16.4
228.15955	2.7
231.04991	33.2
249.06042	12.8
253.07091	2.0
291.07114	5.8
295.11743	1.7
357.08148	6.0
375.09079	14.0
393.10303	38.2
475.17844	6.9
509.88470	2.0
510.38431	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	510.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20277	2.4
51.44413	2.1
54.66120	2.4
56.05039	65.5
67.05489	2.8
70.06587	13.0
72.04520	41.7
83.08606	3.8
84.08155	4.2
86.09701	6.4
91.05465	3.5
102.05573	3.5
110.07137	3.9
110.09681	4.5
111.08066	4.4
114.05516	5.7
117.06604	5.3
118.05034	6.2
118.34482	2.7
119.04931	18.7
120.08105	4.1
129.10252	3.6
131.08162	7.1
136.07570	65.6
137.05981	77.9
138.09164	17.6
139.07530	39.9
147.04401	25.6
156.10199	77.8
157.08649	5.5
174.11237	18.4
177.08707	45.3
179.07028	100.0
196.09724	38.9
227.14049	6.6
231.90746	3.6
255.13422	4.4
274.14261	24.2
315.15106	3.1
334.16650	4.3
351.19095	24.2
435.21249	5.7
450.22452	33.4
451.34576	3.6
478.21756	17.1
492.23395	34.6
498.47208	3.7
510.24341	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	510.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24435	0.7
55.05511	1.4
57.03442	5.0
67.05508	7.8
69.03420	1.3
69.07067	7.2
71.04996	1.0
78.76221	0.7
79.05485	1.2
81.07061	29.2
83.04972	1.8
83.08627	4.4
85.02905	6.0
85.06558	1.4
87.04461	1.3
91.05498	8.3
93.07039	2.0
95.08592	6.1
97.02889	3.9
97.06542	3.7
99.00823	1.7
99.04430	1.3
99.08084	2.0
103.03940	1.0
103.30007	0.9
104.29497	1.0
105.07021	14.6
107.08596	8.7
109.06535	1.6
114.09209	1.1
119.08580	12.9
121.10148	12.0
123.08064	1.4
123.11709	23.3
127.07562	4.3
133.10136	2.0
137.13246	1.7
141.09117	1.8
147.11687	75.4
157.10095	1.9
165.12741	33.8
165.14053	1.6
167.83447	1.0
175.11160	4.5
183.13756	1.5
190.70821	0.9
193.12241	3.5
197.18607	1.0
218.21945	0.9
229.14366	3.6
267.12985	1.8
267.15875	46.7
285.16965	100.0
303.18167	1.0
417.10565	0.9
457.20584	12.0
475.21939	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	510.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43264	2.2
55.05519	17.2
56.05037	3.0
57.03442	5.7
57.80088	2.4
62.06094	23.3
67.05518	38.3
69.07067	15.5
71.04977	4.7
71.08650	29.9
75.81284	2.5
79.05504	23.7
80.05013	4.3
81.07065	57.3
82.06602	3.2
83.05005	4.7
83.08620	13.1
84.08130	3.4
91.05477	24.1
93.07042	40.3
95.04955	6.6
95.08604	24.0
97.06544	6.6
97.10165	3.3
98.98486	19.4
99.08077	22.1
105.07035	17.0
106.48267	2.7
107.08605	23.8
109.10172	6.3
111.08085	4.5
119.08582	12.0
121.06458	3.4
121.10131	15.0
123.11742	5.0
126.12769	22.4
128.07904	2.5
131.08583	5.5
133.10147	20.4
135.11710	20.9
138.71126	3.1
145.10088	5.7
147.11684	12.5
149.13280	17.8
151.11169	13.9
155.01010	19.0
157.10114	3.8
158.97176	2.7
159.11664	14.5
161.13287	5.6
163.11192	11.0
165.12666	3.1
171.11641	5.1
173.02023	3.1
177.12720	4.7
179.14293	6.1
195.13745	2.9
220.16916	28.3
238.18021	16.3
241.19478	5.3
259.20544	6.1
269.17569	25.5
277.21588	17.7
312.21832	4.0
320.25879	6.3
333.24219	5.4
349.14276	23.2
351.25378	59.5
353.50299	2.9
366.22092	3.4
369.26355	13.0
374.17294	19.3
375.06180	2.9
392.18341	100.0
411.26816	3.1
413.20950	5.1
431.22067	32.9
449.22757	5.9
456.25058	4.5
474.26312	42.6
492.26978	31.3
510.22015	4.3
510.28867	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	510.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44706	1.6
55.05523	43.9
57.07073	2.4
64.32786	1.9
67.05505	3.9
69.03444	1.9
69.07075	4.6
70.54532	1.7
71.43470	1.6
71.60490	1.9
73.06567	7.6
79.05505	2.2
81.07045	7.7
83.08626	2.2
83.84965	1.9
85.02901	3.0
85.06545	7.5
87.52170	2.2
91.05458	2.5
92.21342	3.8
93.07044	8.7
95.03581	2.2
95.08607	26.3
97.02924	2.5
97.10184	3.4
99.08093	4.4
101.05999	24.5
105.07009	3.0
107.08599	17.3
109.10171	11.4
109.47358	2.2
111.00606	1.9
111.08092	3.7
117.07066	2.4
119.08569	21.2
119.34499	1.9
121.10127	11.5
123.11702	8.2
131.08563	3.8
133.10147	9.8
135.11714	8.5
145.10135	30.9
147.11674	14.5
149.13298	3.7
153.09109	4.0
157.10123	4.6
158.52031	2.2
159.11720	12.5
161.13277	12.6
163.14758	2.3
169.10179	3.4
171.11687	11.7
173.13213	9.9
175.14922	2.3
177.09076	4.8
183.11697	3.8
185.13278	4.9
187.14824	12.5
199.14830	8.4
215.17969	2.8
223.14786	4.1
227.14412	2.5
245.15323	2.0
253.19591	3.7
255.21077	28.2
269.22574	2.7
297.21939	3.4
301.48325	2.1
315.23264	23.9
337.25137	2.5
338.27414	2.1
397.27298	14.9
415.28458	9.2
457.29251	2.4
475.30536	100.0
510.33963	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	510.3536
Annotation	1-heptadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
53.64773	0.6
55.05502	0.8
57.03452	1.0
57.07080	11.3
58.06620	0.7
60.08175	10.5
67.05496	1.8
69.07064	2.9
71.07374	1.7
71.08632	11.0
73.67918	0.6
81.07058	4.2
83.08625	3.6
84.20556	0.8
85.02917	0.8
85.10183	7.5
86.09708	34.2
95.08606	8.9
97.10202	0.9
97.51157	0.8
104.10749	83.2
107.47406	0.8
109.10130	5.3
123.11682	1.0
124.99991	12.1
161.77583	0.7
184.07338	100.0
194.91257	0.7
202.92435	0.8
239.23775	1.9
256.34650	0.9
313.27353	21.1
327.28897	3.0
331.28378	8.9
492.34631	5.1
510.35538	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	510.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	5.7
55.80013	1.0
57.03458	4.3
57.07080	85.0
57.78791	1.0
58.57899	1.2
61.02925	5.1
67.05508	14.5
69.03407	1.6
69.07063	17.6
71.05022	1.2
71.08633	70.4
75.04482	1.9
81.03397	1.6
81.07058	33.1
83.08623	33.2
85.02894	11.9
85.10184	49.7
85.10672	2.7
89.05996	1.7
91.03935	1.6
95.08609	56.0
97.02894	7.4
97.10176	15.9
99.04430	1.8
99.11725	1.4
109.10151	27.5
111.11717	2.6
123.11689	14.4
127.03909	1.8
135.93697	1.5
137.13258	7.5
176.21599	1.3
177.79115	1.3
203.71524	1.3
239.23685	21.6
257.24817	9.0
313.27353	100.0
316.53226	1.5
331.28421	82.3
383.27695	5.3
401.28940	37.3
429.95468	1.4
475.32516	1.5
494.32898	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	511.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85888	0.5
60.05638	0.6
63.59926	0.5
70.06583	3.7
72.08187	0.7
85.02934	0.6
86.06082	0.9
86.07201	3.8
90.01263	2.9
90.05528	0.8
92.98333	1.4
98.06065	2.8
99.51951	0.7
110.00988	2.7
111.63834	0.7
112.05095	43.9
115.08717	1.4
116.02787	1.0
116.03531	0.9
118.03203	2.5
122.16220	0.8
130.03183	5.2
131.06372	1.0
132.04816	1.0
134.00931	2.6
136.07570	0.8
144.02286	5.4
144.06577	1.1
145.06117	0.8
146.06041	0.9
147.05878	15.8
149.07436	24.5
158.99652	1.2
164.02007	1.5
166.06174	0.8
171.06337	0.7
175.99478	3.2
178.01050	3.0
181.03021	1.0
181.04637	32.7
184.07201	1.1
184.09729	1.6
188.07001	1.6
191.04811	8.8
197.78816	0.7
201.09918	1.2
202.10745	1.2
205.04695	7.7
206.18361	0.7
208.09671	0.9
213.12392	3.0
222.07364	1.3
233.07024	15.5
259.11163	1.1
261.12735	3.3
263.06369	0.8
275.06274	1.5
292.08987	5.5
293.09808	5.6
334.12354	1.1
354.65521	0.7
381.14288	0.9
422.15515	1.6
451.17169	0.7
493.18542	1.0
511.20026	100.0
536.87738	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	511.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67034	0.3
69.39084	0.3
73.26247	0.3
74.02450	0.3
81.16016	0.4
84.08167	0.3
86.09692	0.4
92.50337	0.3
95.60346	0.3
96.49532	0.4
112.25423	0.3
112.65650	0.4
118.06520	3.4
127.07514	0.5
130.06456	0.4
132.08076	2.0
136.07576	0.6
144.08093	6.4
146.06009	36.3
159.09174	4.3
160.07579	0.3
168.06534	0.8
170.05974	2.1
188.07062	100.0
205.09714	35.2
450.58167	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	511.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40694	0.5
56.05035	0.7
60.05653	2.5
67.05553	0.6
68.98056	0.5
74.06090	1.5
83.08640	0.8
94.78182	0.6
96.05594	2.5
98.07156	0.6
105.07008	0.8
109.10176	0.9
116.08216	1.0
122.09695	1.0
125.09628	0.9
133.07657	0.8
133.10144	0.6
134.09676	0.8
148.10010	2.4
150.09117	0.7
155.10722	0.8
159.09140	0.7
161.10765	2.6
164.10747	3.6
172.11250	0.6
174.10257	2.7
176.11841	3.0
187.12352	0.8
190.12254	2.9
205.13397	1.2
207.14929	4.6
208.09677	1.1
216.84589	0.6
234.11220	1.3
236.59372	0.6
248.12820	0.8
251.13884	21.4
252.12227	0.6
260.16458	0.7
262.13184	2.1
263.13828	1.2
266.13843	6.1
267.04752	0.7
269.15155	0.6
282.18158	0.7
285.19620	0.6
292.15323	3.4
292.18619	0.6
293.16107	1.0
317.22281	1.3
319.23981	0.6
335.23410	0.7
356.22217	0.9
373.35165	0.7
374.23520	0.7
375.26532	3.6
379.22189	4.2
387.22595	1.4
388.24918	1.2
401.24396	0.8
406.26019	1.0
419.25464	6.0
434.25522	0.8
437.26538	4.0
451.28088	2.8
452.26614	8.5
469.29111	4.9
493.26538	1.1
511.31302	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21785	0.7
58.72668	0.7
66.89485	0.7
67.05521	0.8
69.03437	0.7
70.25182	0.6
70.97701	0.6
95.08613	0.9
109.10125	0.9
116.45106	0.8
166.53580	0.8
363.92572	0.9
431.03094	0.9
441.44366	0.8
511.33975	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	2.2
56.24763	1.8
61.82341	1.9
67.05524	21.6
69.03440	4.6
69.07073	9.5
76.57415	2.1
78.04730	2.0
79.05508	9.3
81.07074	18.2
81.86098	2.1
83.08630	4.1
85.02914	22.0
85.06567	4.2
86.34184	2.0
91.05482	11.1
93.07055	20.9
95.04932	5.3
95.08612	37.7
97.06532	2.9
103.66572	2.3
105.07043	20.1
107.08587	19.3
109.06512	3.7
109.10170	10.2
115.05397	2.4
119.08597	24.6
121.06510	2.7
121.10126	25.7
123.08083	13.2
123.11697	4.0
129.07062	3.2
131.08589	13.1
133.10150	23.2
135.08014	2.9
135.11722	5.2
141.09109	13.8
143.08592	9.7
145.10141	36.0
147.07979	3.2
147.11674	21.3
149.09663	4.3
149.13228	4.9
157.10114	15.0
159.11673	22.5
161.09602	3.2
161.13258	12.5
169.10074	4.6
171.11717	13.8
173.13272	23.5
175.11195	3.4
181.10043	2.8
183.11639	10.9
185.13261	9.5
187.14803	9.0
193.09972	2.9
195.11708	11.5
196.12570	3.2
197.13268	5.4
199.14720	10.9
209.13255	14.7
211.14862	5.2
213.16354	3.5
215.14403	3.4
222.14073	4.1
223.14780	10.7
225.16393	3.1
227.14398	2.8
227.18044	4.7
235.14740	3.1
237.16370	28.4
249.98152	2.5
251.18039	8.5
253.19550	4.3
265.19608	3.9
277.19449	3.4
293.22653	2.8
295.20432	3.5
297.40579	2.4
409.30927	4.6
415.29837	16.2
433.31070	77.6
451.32074	26.3
475.32156	2.8
493.33179	22.1
511.34122	100.0
516.93365	2.5
537.65387	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	512.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	9.1
55.01878	1.8
55.05504	0.7
57.03438	0.8
57.07098	0.6
58.90126	0.6
60.73394	0.6
61.02946	1.0
69.03439	16.6
71.05009	5.9
73.02922	7.5
81.03429	31.8
84.49644	0.8
85.02912	49.9
87.00835	18.4
92.21199	1.4
97.02248	1.2
97.02895	39.8
99.04465	26.8
103.03958	13.8
105.01868	24.2
109.02886	86.0
117.01842	1.0
127.03921	100.0
129.01842	8.0
139.71016	0.9
145.04961	18.0
147.02899	4.9
159.02902	16.3
160.89517	0.8
163.06021	6.2
169.04971	1.9
187.06035	3.1
213.03979	12.6
231.04976	29.9
249.06081	10.5
253.07018	3.0
273.05920	1.0
291.07141	6.3
315.95978	0.8
357.08057	4.6
375.09207	12.0
375.16620	3.0
393.10306	31.8
449.32196	0.9
459.18951	1.3
477.19641	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	512.234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	9.6
55.01880	1.4
65.75450	0.8
69.03429	17.8
71.04996	2.5
73.02923	4.9
81.03428	29.7
85.02905	44.3
87.00825	17.7
91.03884	0.9
97.02900	26.3
97.42227	0.9
99.04473	20.2
103.03942	14.2
105.01212	1.4
105.01872	19.7
109.02883	79.2
123.04452	1.4
127.03918	100.0
129.01834	8.2
140.36826	1.1
145.04965	14.0
147.02878	5.9
159.02872	12.1
160.60681	1.1
163.06027	3.9
169.04953	1.6
172.84038	1.2
174.35658	1.0
177.04070	1.3
213.03975	16.6
231.05003	23.0
249.06050	9.0
291.07077	7.9
304.03537	1.0
327.09726	1.8
357.08069	4.0
375.09302	12.0
387.11923	8.1
393.10312	40.0
477.19751	8.0
512.20776	10.4
512.29950	15.7
520.64807	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	512.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.4
53.42069	0.7
55.01875	0.8
61.52942	0.7
65.05940	0.9
66.65250	0.8
68.78481	0.8
68.99794	1.1
69.03436	13.4
71.04993	4.2
71.73966	0.7
73.02914	5.4
74.35725	0.8
76.16077	0.8
81.03431	25.9
85.02909	51.8
87.00831	11.9
97.02895	25.5
99.04465	20.2
103.03947	18.2
105.01870	13.8
105.07109	1.0
109.02886	60.5
127.03918	100.0
129.01826	6.5
145.04955	15.0
147.02911	3.6
153.05481	2.2
159.02858	9.6
163.06021	4.8
167.07030	4.1
169.04977	1.1
172.87106	0.8
187.06042	1.4
213.03999	11.3
229.06927	1.7
231.05013	17.6
249.06021	6.3
253.07057	1.9
273.06186	1.5
291.07056	8.6
318.07541	1.5
339.07318	3.6
357.08066	4.2
368.87585	1.0
375.09198	21.8
375.16513	1.2
393.10294	24.4
477.19498	4.1
512.11786	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	512.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66092	0.9
65.43353	1.1
67.03281	1.4
70.02958	1.8
83.08642	5.1
88.04007	1.6
91.05496	2.2
94.06564	9.7
103.05511	1.6
111.08049	2.9
120.04469	10.4
120.08105	100.0
127.03893	1.7
136.07587	2.6
138.09180	2.0
139.07581	10.2
146.06013	47.4
149.06013	1.5
154.12285	2.1
156.10178	10.0
163.08728	6.1
166.08632	2.9
174.05508	16.1
174.11229	2.3
183.08379	1.4
183.11710	6.4
192.06529	8.7
193.08319	1.5
209.09122	1.8
240.13734	2.3
258.12384	1.5
258.14877	14.9
268.92245	1.3
276.10150	2.2
276.15939	5.4
302.07465	1.6
311.13907	5.4
321.18091	6.8
329.14920	5.4
448.22272	5.5
457.18503	1.3
466.23691	5.1
494.22781	9.4
512.23785	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	512.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.8
55.05513	1.6
55.52049	1.2
60.22109	1.3
61.02946	1.8
67.05504	1.9
67.49913	1.3
69.03426	9.3
69.07077	5.3
70.06587	8.8
71.04992	3.3
79.05506	11.8
81.03418	2.8
81.07047	10.1
84.08144	3.0
85.02910	44.6
86.09705	3.2
89.25846	1.5
91.03949	1.4
91.05485	5.7
93.07043	75.8
95.04952	2.5
95.08609	17.1
97.02889	14.8
97.06546	1.6
99.04464	5.6
103.03947	16.7
103.82100	1.3
104.71755	1.3
105.07035	3.1
107.08595	100.0
109.02904	7.8
109.10149	5.9
109.66304	1.4
118.06619	2.1
120.08117	1.8
127.03912	25.3
132.10185	2.2
135.11693	84.8
140.07082	3.3
145.04967	21.7
146.06007	5.8
153.12752	30.1
163.06010	12.9
260.19351	1.7
261.78424	1.6
307.10367	9.9
311.10327	2.1
318.64185	1.6
325.11295	5.5
512.16919	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	512.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59280	0.9
55.05498	1.1
56.06434	0.9
57.07084	42.4
69.07066	2.4
69.31184	1.0
70.60712	0.9
71.08635	31.4
71.78684	1.1
73.06552	7.5
73.67341	1.1
83.08640	1.5
85.10188	22.6
87.04441	4.8
89.06033	100.0
92.21358	5.2
97.10168	1.7
109.99998	1.1
110.74677	1.1
117.09117	2.0
133.08595	30.5
155.16690	1.1
156.91891	1.4
157.41487	1.2
177.11217	7.7
213.22130	1.6
216.95863	1.3
221.13763	1.7
222.79216	1.2
257.24777	8.0
283.17487	1.4
301.27426	6.1
327.20108	12.0
418.23865	1.3
451.35800	1.5
461.15659	1.3
495.38898	75.3
511.50067	1.5
512.41431	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	513.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06599	2.1
84.08138	1.9
85.02913	1.8
86.09705	1.5
90.65383	1.3
95.08524	1.3
98.97593	4.8
103.03980	1.3
116.98589	1.5
127.03880	4.5
129.10265	1.4
138.19070	1.2
158.99675	5.0
173.01149	1.5
177.00674	2.2
180.19257	1.3
201.04329	1.2
219.01619	1.4
222.14998	1.1
237.02757	2.8
265.11057	4.4
283.12234	5.7
307.12280	6.0
325.13403	1.4
358.53070	1.3
379.14182	1.7
427.16342	6.7
445.17331	4.9
469.17758	8.8
513.17242	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44965	0.3
54.54246	0.5
64.51904	0.4
70.06587	0.9
84.66044	0.4
94.40804	0.4
131.96259	0.5
157.28793	0.4
169.04758	0.5
191.10449	10.2
212.10344	0.5
227.05267	1.7
228.29622	0.4
243.00319	0.5
245.06323	0.9
247.13185	1.0
259.08035	3.5
265.14124	5.5
276.67352	0.4
289.05258	1.6
291.57175	0.5
293.13611	0.6
301.08945	8.7
336.05685	0.4
345.08032	0.5
409.18298	2.6
425.17850	0.6
427.19348	22.8
451.19308	3.5
465.71725	0.5
469.20502	23.7
485.07846	0.5
513.19434	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46490	1.4
56.64603	1.5
70.06596	100.0
72.08148	10.8
84.08141	3.3
86.09707	42.5
87.05600	1.7
120.08145	2.1
127.00237	1.9
130.19398	1.5
130.64017	1.6
133.06079	1.7
142.08699	1.7
147.04425	3.1
169.13362	79.5
170.04536	3.3
183.06522	3.7
183.11295	3.1
185.16472	2.5
187.07207	7.9
196.75305	2.0
197.12848	38.0
204.09772	6.2
213.05464	2.9
228.13541	2.2
310.21323	7.0
317.18320	6.1
384.83783	1.7
401.21277	1.7
496.27737	1.9
513.30383	64.4
518.57880	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	513.3058
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
51.12029	2.1
53.00322	2.2
55.01868	3.1
55.05514	13.4
57.03427	30.1
57.07081	3.1
61.02922	13.4
61.45086	3.1
63.68866	2.4
67.05512	46.8
69.03435	25.0
69.07072	18.6
71.01347	2.5
71.04976	21.5
73.02926	3.2
77.23940	2.7
79.05499	45.3
81.03409	25.0
81.07061	71.4
83.04964	5.7
83.08630	10.2
84.76974	2.6
85.02898	26.5
85.06532	11.1
89.16534	3.4
89.41976	2.3
91.03938	5.8
91.05471	37.6
93.07043	63.1
95.04959	11.4
95.08612	59.1
97.02885	28.9
97.06503	3.6
97.10162	4.1
99.04430	3.3
99.08111	4.5
99.18996	3.1
101.02378	5.0
105.07034	38.8
107.04940	2.9
107.08595	55.6
109.02885	6.8
109.06468	4.4
109.10172	30.5
111.08080	12.9
113.09550	2.5
117.07004	15.8
119.08586	44.8
119.28950	2.7
121.10133	40.8
123.11674	5.4
127.03909	16.5
129.06999	5.3
131.08572	26.8
133.10138	38.3
135.11685	27.5
143.08565	10.9
145.10118	24.0
147.11688	28.5
149.13263	14.8
156.29135	2.7
157.10023	3.8
159.11667	15.9
161.13243	17.3
163.14841	3.0
171.11705	10.3
173.13275	3.6
175.14812	3.2
185.13225	6.4
187.14806	4.2
191.14264	4.4
241.19502	5.0
259.20633	30.4
275.80606	2.9
277.21576	37.5
305.68546	3.4
333.24362	6.8
351.25305	100.0
421.25708	5.3
435.27066	3.5
477.28354	11.3
495.29266	19.2
513.30505	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	513.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	7.1
61.02941	4.5
67.05518	37.2
69.03446	5.2
69.07084	15.2
71.05011	2.9
73.44227	2.5
76.47013	2.8
79.05485	21.9
81.07060	44.3
83.08189	3.8
83.08643	11.1
85.02921	17.1
85.06574	7.2
91.05507	13.3
92.21464	3.0
93.07047	32.7
95.04976	4.9
95.08614	44.1
101.16760	2.8
105.07046	26.2
107.08603	31.6
109.10170	51.2
115.22607	2.9
117.07029	3.7
117.64981	2.7
119.08562	42.6
121.06466	5.0
121.10138	42.9
122.10458	3.6
123.08076	7.0
123.11650	3.9
125.35090	3.5
129.49977	3.2
131.08595	20.8
133.10127	36.9
135.08109	6.1
135.11700	30.5
137.09634	4.7
139.54811	3.0
143.08606	11.3
145.10164	35.2
147.11652	32.3
149.09628	4.3
149.13237	5.8
157.10190	13.5
159.11749	18.1
161.13318	17.9
163.14763	3.8
169.10229	4.5
169.42635	3.1
171.11708	17.3
172.12061	3.1
173.13271	15.0
175.14885	12.4
183.11745	6.7
185.13313	13.1
187.14868	19.2
199.14880	3.5
203.05394	3.7
211.14941	3.9
213.07274	3.1
225.16597	4.9
227.17758	4.8
228.87083	3.2
237.16331	5.6
241.19545	5.5
243.17526	3.6
247.34558	3.1
251.67752	3.2
255.27299	3.9
259.20694	23.5
283.17441	3.2
351.25281	86.0
375.25131	3.6
383.27539	4.3
417.31610	13.5
433.30713	3.6
435.32071	27.6
453.32983	13.2
463.16699	6.5
477.33612	12.1
495.28369	6.5
495.34592	19.7
513.26868	13.1
513.34485	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	13.2
57.03436	21.3
57.07080	2.5
61.02914	9.2
67.05510	33.5
67.05855	3.0
69.03433	15.6
69.07067	17.4
71.05000	11.5
73.02918	8.3
75.34109	1.7
79.05496	27.9
81.03419	14.1
81.07062	51.9
83.04985	8.2
83.08622	10.7
85.02917	20.3
85.06577	3.6
87.04474	3.8
91.03982	2.0
91.05466	22.3
93.07047	41.7
95.04968	8.4
95.08612	51.8
97.02892	15.3
97.06528	4.5
97.10154	3.3
99.04478	1.9
99.08099	6.8
103.03959	2.9
105.07037	31.8
105.87054	1.8
107.04948	3.1
107.08602	46.5
109.06528	4.3
109.10159	53.5
111.04446	1.9
111.08075	3.7
116.70925	1.8
117.07005	11.1
119.08573	39.1
121.10133	31.6
123.08063	3.6
123.11720	7.2
125.09602	2.8
127.03873	7.5
129.06998	7.3
131.08568	21.5
133.10135	31.5
133.62689	2.1
135.08049	7.4
135.11693	24.6
143.08571	8.2
145.10135	35.0
147.08075	2.5
147.11687	26.0
149.06049	6.8
149.13214	16.2
155.08600	2.7
157.10106	12.6
159.11667	18.8
161.09567	2.9
161.13217	13.0
169.10162	7.4
171.11740	14.6
173.09599	3.3
173.13292	13.9
175.11397	2.0
175.14813	11.5
179.10670	1.9
183.11685	7.5
185.13271	11.8
187.14778	19.1
191.14339	2.2
193.15921	2.5
194.95853	1.7
196.38174	2.0
197.13231	2.2
199.14780	11.3
201.12717	2.3
213.16444	2.3
215.14299	3.9
223.14824	2.7
225.16374	3.6
233.15268	2.5
241.19618	3.5
243.17430	3.8
259.20544	17.6
277.21713	14.5
335.22565	2.4
351.25299	53.9
367.22232	2.0
397.27496	2.5
417.31488	10.2
421.26117	3.4
435.32443	13.6
453.32892	2.8
459.27573	2.2
477.27841	3.8
477.33942	12.6
495.35260	17.9
513.34760	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3057
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
55.05521	5.9
57.03440	2.1
57.07072	1.6
57.41021	1.1
61.02934	11.2
67.05519	15.0
69.03431	4.8
69.07076	6.6
70.19585	1.0
71.08600	1.0
72.91334	1.0
73.02925	4.3
79.05499	18.9
79.21832	1.1
81.03405	5.1
81.07063	23.1
83.08612	2.8
83.34967	1.1
85.02905	11.7
85.06544	4.3
90.05927	1.2
91.03960	5.6
91.05475	17.5
93.07044	28.2
95.04951	2.8
95.08616	15.7
95.78340	1.2
97.02885	7.0
97.06532	1.7
97.10205	1.5
99.08077	2.2
105.07021	20.8
107.08601	26.6
109.10161	11.1
109.65627	1.3
116.61268	1.2
117.07009	7.8
119.08586	26.9
121.10136	20.8
123.08033	1.6
123.11720	1.9
127.03918	1.7
129.06999	2.8
131.08601	16.3
133.10149	26.6
134.65433	1.1
135.08067	1.1
135.11690	20.0
143.08551	7.6
145.10094	13.6
147.08116	1.5
147.11676	28.8
149.13293	10.6
157.10127	8.6
159.11693	16.6
161.13255	25.2
163.14847	2.4
169.10101	1.3
171.11707	9.4
173.09619	1.6
173.13284	10.1
173.14478	1.2
175.14801	10.5
180.86331	1.2
183.11758	1.5
183.62749	1.3
185.13214	10.5
187.11208	1.4
187.14812	4.7
189.12715	1.2
191.80087	1.2
197.13293	1.7
199.14856	5.7
209.13170	1.9
213.12930	1.2
213.16457	1.7
231.17374	1.5
231.21133	2.8
241.19466	12.9
259.20554	37.7
277.21573	2.2
351.25308	100.0
363.25153	2.6
367.22766	1.6
375.25192	1.4
385.23761	1.9
403.24854	1.8
407.81873	1.2
417.26443	1.9
421.25977	4.9
429.26163	1.5
441.26166	7.0
445.13654	1.3
459.27457	6.6
477.28329	10.1
495.29706	13.0
495.36420	2.1
513.30127	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	513.3057
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
50.09285	1.6
51.02011	1.8
52.87462	1.5
52.91899	1.8
55.05512	8.3
57.03436	7.8
61.02931	11.9
65.63590	1.5
65.83857	1.7
67.05515	19.3
69.03432	4.8
69.07078	13.9
73.02911	1.8
79.05502	17.9
81.03423	7.3
81.07063	31.1
83.04989	2.6
83.08607	3.8
85.02892	9.9
85.06552	2.5
91.03944	2.3
91.05480	18.6
92.21020	3.2
93.07036	36.9
95.04993	2.1
95.08607	26.7
97.02879	10.7
97.06558	2.1
105.07043	23.7
107.08584	28.5
109.10164	14.8
117.07013	9.6
119.08606	23.9
121.10129	26.0
123.08021	2.6
123.11699	2.1
127.03890	2.7
129.06967	3.1
131.08560	15.5
133.10144	22.6
135.11668	28.5
137.13231	2.0
141.88460	2.0
143.08548	3.7
145.10139	13.8
147.11708	19.5
149.13275	12.0
157.10135	9.2
159.11713	16.0
161.09621	3.0
161.13257	15.3
163.11259	2.3
163.14796	3.6
171.11690	8.6
173.13292	14.3
175.14841	11.1
185.13298	9.4
187.14760	2.9
199.14865	4.6
203.14394	2.4
231.21304	2.0
241.19472	13.0
259.20517	32.7
277.21652	9.6
333.24194	4.0
351.25269	100.0
441.26337	7.0
477.28189	7.9
495.29761	7.0
513.29889	14.9
530.38452	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	513.3057
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
53.51081	3.4
55.05285	3.2
55.05519	20.0
56.99938	4.1
57.03415	24.3
57.07074	6.0
67.05511	67.9
69.03413	4.3
69.07072	31.8
71.01350	19.2
73.02910	17.9
79.05502	12.9
80.19292	3.8
81.07062	79.8
83.08625	18.6
85.02906	38.5
85.06559	5.2
91.05473	15.1
93.07045	21.5
95.01305	3.7
95.08611	80.2
97.02891	7.0
97.06577	3.3
97.10166	14.4
99.00826	4.4
101.02395	5.1
101.31517	3.4
103.03934	7.6
105.06995	5.6
105.64785	3.3
107.08595	13.9
109.10141	35.4
113.02370	23.2
119.08570	16.7
121.10161	23.6
123.11691	13.9
129.69244	4.0
131.03365	4.6
133.10124	18.3
135.11705	6.3
137.13303	4.2
141.01816	15.4
147.11736	14.7
149.13271	4.2
152.34129	3.5
161.13187	4.7
163.14839	3.9
165.16330	4.8
175.14819	4.2
245.22691	15.2
263.23685	23.6
293.41257	4.4
337.27438	26.9
345.56897	4.3
495.29227	5.8
513.30591	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3058
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
55.05516	7.3
61.02927	10.8
64.50697	1.7
67.05505	17.7
69.03437	7.8
69.07075	12.7
71.04996	2.7
73.02903	2.6
79.05501	17.0
81.03390	2.4
81.07068	28.9
83.04972	2.1
83.08608	6.8
85.02908	10.3
85.06592	2.8
91.03956	3.7
91.05482	19.6
93.07047	34.8
95.04984	3.0
95.08618	22.2
97.02908	10.1
97.10163	3.2
105.07048	30.3
106.25665	1.8
107.04938	3.2
107.08587	28.5
109.10156	14.7
111.08110	1.7
117.07017	9.2
119.08578	33.3
121.10155	19.3
123.11731	3.5
129.07034	3.1
130.42946	1.8
131.08595	16.0
133.10130	34.9
135.08047	3.0
135.11699	21.0
143.08575	7.2
145.10135	21.1
147.11687	32.9
149.13275	9.0
151.07584	1.7
151.11198	2.5
157.10112	10.5
157.91272	2.2
159.11710	19.2
161.13268	25.5
163.14882	1.8
169.10104	2.8
171.11687	15.4
173.13289	13.1
175.14806	12.4
181.08694	1.8
185.13297	12.2
199.14792	7.2
204.07587	2.2
231.20923	2.5
241.19476	16.1
259.20547	41.0
351.25284	100.0
367.22443	2.8
375.25208	3.0
385.24026	2.7
429.26337	3.2
441.26242	8.8
459.27173	4.0
477.28461	8.9
495.29288	19.0
513.14539	3.3
513.34229	55.6
520.55383	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	513.3057
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
55.05513	7.7
57.03461	1.7
59.92374	1.4
61.02928	9.1
67.05505	20.6
69.03429	2.3
69.07066	8.3
70.26925	1.6
71.04969	2.4
73.02916	3.6
79.05495	27.3
81.03432	2.6
81.07069	22.7
83.08604	6.6
85.02903	13.4
85.45523	1.8
86.08547	1.6
91.04001	4.5
91.05464	20.5
93.07041	36.3
95.04958	7.3
95.08617	25.5
97.02891	3.9
99.04443	1.6
99.08104	1.6
99.14158	1.5
99.63604	1.5
105.07034	27.9
107.04919	1.8
107.08604	30.6
108.75589	1.8
109.10144	14.7
115.05538	1.8
117.06993	7.4
119.08584	34.6
121.10132	24.5
121.63186	1.7
123.08031	1.8
127.03898	1.6
129.06987	6.5
131.08546	14.7
133.10124	28.3
135.08028	2.3
135.11717	24.9
137.09706	1.8
143.08536	7.9
145.10101	21.2
147.08060	2.1
147.11702	29.3
149.09595	2.7
149.13229	13.1
157.10109	9.3
159.11679	22.6
161.13263	23.5
163.14821	3.0
170.39514	1.8
171.11713	12.7
173.13263	13.3
175.14828	8.9
177.12723	2.1
180.39897	2.0
183.11621	2.7
185.13275	9.3
187.14760	2.7
199.14857	2.8
207.11752	2.0
209.13272	1.9
213.16345	2.5
221.47997	2.0
232.62128	1.7
241.19495	13.1
259.20532	46.2
266.15445	1.5
274.53336	1.4
351.20938	3.7
351.25281	100.0
354.76724	1.8
363.25256	2.4
375.25073	2.5
421.25647	2.2
429.26468	1.9
435.32462	2.4
441.26071	8.0
459.27060	6.6
477.28314	7.8
488.61322	2.0
495.29385	11.3
513.34509	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	513.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	2.1
57.07081	0.7
61.02942	0.8
62.07449	0.4
62.84072	0.5
64.77945	0.4
65.03944	0.5
67.05508	6.8
69.03439	3.0
69.07078	3.0
71.05006	2.5
73.02912	0.9
79.05498	5.5
81.03439	1.0
81.07058	10.9
83.04977	1.1
83.08633	1.2
85.02912	4.2
85.06554	0.9
88.37206	0.6
91.05503	4.3
92.21293	0.6
93.07047	10.9
95.08600	8.5
95.09106	0.5
97.02901	2.6
97.06551	0.7
97.10106	0.6
99.04478	0.9
99.08130	0.7
105.07044	5.0
107.08596	7.7
109.02893	0.6
109.06530	0.8
109.10157	7.8
111.08137	0.5
117.07034	0.9
119.08612	5.8
121.06496	0.6
121.10152	7.5
121.10939	0.7
123.08130	0.8
123.11725	1.1
125.09671	0.8
127.03976	0.7
129.07097	0.9
131.08580	3.8
133.10141	5.7
135.08095	0.7
135.11711	4.5
143.08513	0.8
145.10141	5.0
147.11707	4.5
149.09685	0.6
149.13286	3.2
157.10213	2.2
159.11647	3.9
161.13342	2.9
169.10178	1.0
171.11742	2.2
173.11934	0.7
173.13309	2.2
175.14844	1.1
185.13370	0.9
186.85703	0.6
187.14912	3.1
189.12733	0.7
191.14359	0.6
199.14830	0.6
201.16487	0.6
203.05319	3.7
230.41179	0.5
241.19603	2.1
259.20758	3.5
277.21780	3.1
305.17010	0.6
333.24329	1.0
351.25299	11.8
417.31525	1.2
421.26154	0.7
435.33127	0.8
453.33450	0.8
459.27829	0.6
477.28299	0.6
495.28979	1.0
495.35025	0.9
513.34180	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05525	0.3
79.05524	0.5
81.07077	0.4
87.92804	0.3
91.05512	0.4
93.07067	0.4
95.08595	0.3
105.07019	0.3
107.08650	0.4
109.10085	0.3
119.08583	0.6
121.10145	0.3
125.98357	0.3
146.06850	0.3
351.25415	0.5
513.34015	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62900	1.3
55.05506	8.5
57.07106	1.7
67.05511	38.0
69.07073	20.4
69.75272	2.0
71.36024	1.5
79.05475	9.3
79.76941	1.6
81.07063	34.6
81.56897	1.7
83.08627	3.3
91.05446	7.1
93.07039	26.3
95.04944	2.1
95.08610	42.0
97.06542	3.5
97.10168	2.7
99.08076	2.5
105.07031	22.5
107.08599	48.0
109.06507	3.2
109.10156	100.0
109.10912	3.6
111.08144	2.3
119.08578	40.9
121.10145	38.6
123.08087	3.0
123.11697	14.3
125.09647	2.7
131.08568	12.3
133.10139	28.5
135.08055	8.9
135.11678	12.8
137.09619	3.0
137.13240	2.1
143.08575	8.1
145.10123	27.6
147.11671	22.7
149.05994	4.2
149.09589	4.5
149.13255	10.9
157.10106	23.0
159.11705	27.2
161.13257	10.9
169.10074	17.8
171.11703	23.8
173.09650	2.1
173.13268	14.7
175.11139	2.8
175.14807	10.3
183.11725	11.3
185.13231	17.6
187.11035	2.2
187.14883	14.9
189.16328	3.8
193.15871	2.3
195.11716	4.6
197.13222	8.9
199.11273	2.7
199.14818	11.6
201.12744	2.9
201.16391	3.6
207.11765	2.4
209.13228	7.9
211.14835	12.6
213.16307	13.7
215.17976	4.4
221.13350	2.5
223.14728	8.8
223.16872	2.4
225.16440	15.1
227.17963	8.7
229.19508	2.6
233.15262	2.3
237.16414	4.4
239.17889	9.0
240.21176	2.1
241.15825	2.2
241.19508	11.9
243.17421	7.2
249.16438	2.7
251.18008	8.2
253.19432	3.7
263.17953	3.0
265.19455	3.3
267.20871	2.4
269.18774	2.4
269.22803	3.1
276.18893	2.0
279.21078	3.0
280.21786	2.7
281.22556	7.9
290.24503	2.2
291.21085	3.1
339.22662	1.9
353.24551	2.4
373.28387	2.5
389.32101	17.6
399.30295	7.3
401.51956	2.2
407.32959	11.8
417.31512	25.7
435.32635	24.5
451.32327	2.3
453.33575	2.5
477.33649	15.7
495.27615	2.1
495.34518	52.1
513.28253	4.8
513.35675	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	513.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28032	0.8
55.05519	1.3
57.07078	1.2
62.32984	1.0
67.05509	32.4
69.03426	1.5
69.07072	6.6
76.84444	0.9
79.05488	1.9
81.07046	14.6
83.08601	2.2
87.53822	1.1
87.75668	1.0
91.05490	1.3
93.07052	6.4
95.04954	1.4
95.08614	12.3
99.92128	1.1
105.07030	5.0
106.32640	1.0
107.08588	11.1
109.06377	1.0
109.10156	100.0
119.08610	13.4
121.06499	1.8
121.10114	14.1
123.02902	0.9
123.08067	2.1
123.11665	4.4
131.08574	2.4
133.10141	6.9
135.08060	2.4
135.11682	2.4
145.10141	9.6
147.08070	2.0
147.11691	5.9
149.09503	1.7
149.13249	1.4
157.10164	2.0
159.07944	1.7
159.11620	3.8
159.78015	1.1
161.13330	2.0
169.10124	1.9
171.11691	7.6
173.13239	5.5
175.11176	1.8
183.11705	2.3
185.13225	4.2
187.14857	2.6
189.12776	1.9
199.14728	1.8
201.12595	1.4
217.15846	1.3
225.16458	1.4
227.17953	1.5
229.15790	1.5
241.19505	5.5
243.17560	1.6
251.18002	2.0
269.18945	4.8
301.51251	1.1
309.21927	1.5
313.97626	1.0
379.26199	1.2
387.25253	5.9
417.31390	5.0
435.32562	7.7
438.51379	1.3
495.34604	10.8
513.28668	2.1
513.35706	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	513.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	11.6
67.05505	31.3
69.03438	5.5
69.07067	10.8
79.05486	32.0
81.07062	41.9
83.08617	6.5
91.05463	10.8
93.07050	45.0
95.04990	7.4
95.08607	66.8
105.07062	43.4
107.08612	67.3
109.10163	29.3
119.08562	54.7
121.10162	34.8
123.08089	8.2
131.08572	19.8
133.10123	37.0
135.11659	9.5
137.09612	9.0
143.08525	10.3
145.10126	46.1
147.11696	27.4
149.09604	5.7
149.13281	6.9
155.08540	8.6
157.10109	27.1
159.11671	40.8
161.13261	19.3
169.10170	9.8
171.11702	30.7
173.13284	21.7
175.14812	4.8
177.25568	5.8
181.10123	7.3
183.11646	23.4
185.13260	29.3
187.14822	22.8
193.10222	5.3
195.11667	22.0
197.13277	22.8
199.14859	7.4
201.16383	5.3
203.05341	7.3
209.13280	19.5
211.14769	8.8
221.13214	7.2
223.14830	6.8
225.16266	20.1
227.17908	6.8
235.14807	21.4
236.67842	5.6
237.16280	41.5
239.17935	16.8
241.19525	7.7
251.17935	10.0
253.19475	28.4
261.16354	4.5
263.17776	8.3
265.19510	5.8
281.22424	5.5
351.25385	9.3
417.31534	40.9
421.97540	5.5
435.32477	100.0
453.33603	10.5
477.33835	23.7
495.34778	56.8
513.35205	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	513.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	4.8
62.58329	2.7
67.05524	25.7
67.05823	3.1
69.07069	25.2
79.05505	12.5
81.07059	47.1
83.05037	3.1
83.08640	2.8
87.32915	3.1
91.05502	5.9
93.07039	26.1
94.45159	2.7
95.08612	63.3
99.08073	4.4
105.07024	25.7
107.04918	3.5
107.08604	43.2
109.06541	3.3
109.10159	100.0
117.06967	3.2
119.08589	59.8
121.10122	31.7
123.08062	12.9
123.11682	12.8
125.09550	2.6
131.08585	29.8
133.06564	2.9
133.10130	27.8
135.04431	14.0
135.08049	17.8
135.11711	16.6
137.09647	5.2
143.08568	15.8
145.10104	72.0
147.08122	3.6
147.11673	29.9
149.05988	30.4
149.09621	5.8
149.13246	5.7
157.10136	26.5
159.08147	3.5
159.11684	30.3
161.09558	5.1
161.13261	12.4
163.11165	3.3
169.10086	30.2
171.11671	22.8
173.09631	5.6
173.13263	20.6
175.11124	4.7
175.14809	11.4
183.11668	23.8
185.13242	18.7
187.11183	4.8
187.14812	51.1
189.12633	3.8
189.16452	3.2
191.14311	11.5
193.15933	3.0
195.11745	3.8
197.13330	11.3
199.11224	4.0
199.14812	21.4
205.15935	3.9
210.13974	3.0
211.14751	6.1
213.16373	10.7
215.14299	14.6
215.17989	3.1
223.14642	5.1
225.16304	23.6
233.15349	21.4
237.16536	3.3
239.17995	4.9
241.15825	3.4
241.19566	6.7
243.17479	32.2
251.17995	10.9
253.19585	4.2
265.15994	3.0
267.17538	4.3
269.18967	5.0
271.68332	2.5
291.21097	5.8
295.20700	5.2
304.52902	3.0
373.28909	5.0
391.30035	14.8
399.30710	4.2
417.31543	19.7
435.32510	50.7
439.28412	4.1
451.31949	14.5
453.33557	24.3
477.33575	25.0
495.34689	75.5
513.35754	51.4
517.34460	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	513.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40546	2.6
53.58861	2.4
55.05519	11.6
62.55215	2.7
63.20279	2.5
67.05507	37.1
69.03461	2.9
69.07083	25.9
69.07383	2.8
79.05492	14.5
81.07061	84.8
81.07539	2.9
83.08615	5.5
85.02935	3.0
85.06596	2.7
91.05462	6.4
93.07043	33.5
95.08607	60.5
98.79897	3.0
99.08100	23.7
105.07035	27.9
107.08606	52.8
109.06515	6.0
109.10164	100.0
111.08111	5.1
117.07006	3.3
119.08573	59.0
121.10148	36.8
123.08038	16.8
123.11714	11.7
129.07001	2.6
131.08556	17.6
133.10123	38.1
135.04416	10.8
135.08073	15.6
135.11678	18.6
143.08572	6.3
145.10132	57.9
147.11716	23.7
149.05957	18.1
149.09630	6.9
149.13268	5.8
151.11238	3.4
155.08588	7.1
157.10081	24.3
159.08047	3.6
159.11696	26.2
161.09613	4.2
161.13229	15.6
168.86565	2.8
169.10126	19.8
171.11684	23.9
173.09622	5.8
173.13277	16.8
173.37915	3.0
175.14813	19.2
183.11719	16.1
185.13268	16.8
187.14818	40.0
191.14340	6.0
195.11676	4.4
196.12306	2.9
197.13193	4.1
199.11185	4.2
199.14807	19.8
201.12781	4.0
201.16510	3.8
208.43736	2.8
209.13307	6.1
211.14752	6.0
213.12723	5.5
213.16397	5.6
215.14275	23.1
215.17975	4.5
223.14693	5.9
225.16434	19.0
227.18069	4.3
233.13115	3.1
233.15332	17.4
237.16411	4.7
239.17924	5.9
241.15929	5.9
241.19690	3.3
243.17461	16.3
251.17892	11.2
255.17278	4.1
263.51834	2.9
267.17529	4.9
269.19000	4.0
291.21252	4.9
351.25290	16.3
391.29886	5.6
397.27292	14.8
417.31567	32.6
428.40268	3.3
435.32700	44.2
451.32034	5.7
453.33554	12.5
477.33661	45.1
495.34711	76.9
513.29034	2.8
513.36218	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	513.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40646	2.1
55.05509	11.5
55.64085	2.3
57.07090	4.1
67.05513	34.2
69.07072	24.0
79.05491	5.2
81.07059	42.3
83.04997	3.1
83.08630	6.2
84.38087	2.4
91.05477	6.9
93.07036	29.1
95.08620	45.9
97.06503	3.5
97.10170	6.2
99.08079	4.2
99.49985	2.9
105.07043	19.7
107.08596	47.7
109.06550	4.9
109.10162	100.0
111.08051	4.8
111.11747	2.9
114.22755	3.1
117.07018	4.0
119.08582	37.9
121.06550	3.6
121.10126	40.8
123.08092	4.5
123.11699	12.8
125.09692	2.9
131.08562	14.2
133.10129	32.0
133.24174	2.9
135.08075	4.1
135.11687	20.6
137.09665	2.8
139.11180	4.1
139.69850	2.8
143.08534	4.8
145.10135	27.0
147.11659	24.6
147.67462	3.0
149.09596	4.3
149.13271	14.9
151.11133	3.4
151.14832	4.5
157.10126	20.2
159.11713	26.8
161.09653	3.4
161.13214	13.5
163.11269	3.0
169.10127	17.8
169.23666	2.7
171.11700	20.8
173.13242	16.2
175.14841	13.7
183.11676	12.4
185.13246	15.9
187.14833	14.5
195.11571	4.3
197.13248	14.3
199.14922	11.0
201.16280	4.7
209.13219	5.0
211.14809	5.8
213.16420	14.9
215.17908	4.1
221.13358	3.3
223.14783	5.9
225.16370	19.6
227.17848	4.9
237.16331	4.9
239.17976	13.7
241.19533	16.3
243.17380	5.4
251.18004	4.9
255.17354	3.2
265.19666	3.8
351.25354	5.5
355.86478	4.1
389.32050	22.0
399.30338	4.1
407.33154	20.6
417.31625	20.0
435.32672	32.5
453.33728	4.3
477.33292	22.4
495.34702	54.1
513.28918	3.4
513.35803	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	513.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62900	1.3
55.05506	8.5
57.07106	1.7
67.05511	38.0
69.07073	20.4
69.75272	2.0
71.36024	1.5
79.05475	9.3
79.76941	1.6
81.07063	34.6
81.56897	1.7
83.08627	3.3
91.05446	7.1
93.07039	26.3
95.04944	2.1
95.08610	42.0
97.06542	3.5
97.10168	2.7
99.08076	2.5
105.07031	22.5
107.08599	48.0
109.06507	3.2
109.10156	100.0
109.10912	3.6
111.08144	2.3
119.08578	40.9
121.10145	38.6
123.08087	3.0
123.11697	14.3
125.09647	2.7
131.08568	12.3
133.10139	28.5
135.08055	8.9
135.11678	12.8
137.09619	3.0
137.13240	2.1
143.08575	8.1
145.10123	27.6
147.11671	22.7
149.05994	4.2
149.09589	4.5
149.13255	10.9
157.10106	23.0
159.11705	27.2
161.13257	10.9
169.10074	17.8
171.11703	23.8
173.09650	2.1
173.13268	14.7
175.11139	2.8
175.14807	10.3
183.11725	11.3
185.13231	17.6
187.11035	2.2
187.14883	14.9
189.16328	3.8
193.15871	2.3
195.11716	4.6
197.13222	8.9
199.11273	2.7
199.14818	11.6
201.12744	2.9
201.16391	3.6
207.11765	2.4
209.13228	7.9
211.14835	12.6
213.16307	13.7
215.17976	4.4
221.13350	2.5
223.14728	8.8
223.16872	2.4
225.16440	15.1
227.17963	8.7
229.19508	2.6
233.15262	2.3
237.16414	4.4
239.17889	9.0
240.21176	2.1
241.15825	2.2
241.19508	11.9
243.17421	7.2
249.16438	2.7
251.18008	8.2
253.19432	3.7
263.17953	3.0
265.19455	3.3
267.20871	2.4
269.18774	2.4
269.22803	3.1
276.18893	2.0
279.21078	3.0
280.21786	2.7
281.22556	7.9
290.24503	2.2
291.21085	3.1
339.22662	1.9
353.24551	2.4
373.28387	2.5
389.32101	17.6
399.30295	7.3
401.51956	2.2
407.32959	11.8
417.31512	25.7
435.32635	24.5
451.32327	2.3
453.33575	2.5
477.33649	15.7
495.27615	2.1
495.34518	52.1
513.28253	4.8
513.35675	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	513.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11970	4.7
50.18114	3.9
52.26728	5.1
53.45971	4.6
55.01873	4.6
55.05500	8.6
57.79868	4.9
60.82655	4.6
67.05505	28.0
69.07076	51.4
81.07062	79.4
83.08598	8.0
86.35411	4.8
93.07036	35.8
95.08618	66.1
97.06482	5.8
97.10190	8.1
99.08089	33.2
104.40948	5.1
105.07056	29.9
107.08590	49.4
109.10149	100.0
111.08071	7.8
119.08569	38.2
121.10153	30.6
123.11737	9.8
131.08521	9.5
133.10115	14.1
135.11702	27.2
137.09612	7.0
143.08597	9.0
145.10135	28.5
147.11671	21.3
149.13257	9.5
155.96397	6.0
157.10179	11.1
159.11736	11.8
161.13246	9.0
166.10248	5.7
171.11638	23.7
173.09552	6.9
173.13220	9.1
175.14825	10.1
176.60422	5.8
179.90773	5.5
183.11719	10.1
185.17587	5.8
187.14819	13.9
193.64330	5.5
195.11687	9.1
197.13315	12.0
209.13303	12.4
211.11234	8.0
211.14742	7.9
217.78769	5.9
223.14752	6.0
225.16495	8.7
229.15887	8.5
231.17450	9.8
281.19073	6.4
289.51569	5.8
305.22757	5.7
305.92303	6.2
307.24277	7.6
377.72501	7.1
395.02945	6.0
400.81793	7.2
405.31366	11.0
417.31534	25.3
435.32532	48.1
453.33591	26.0
465.33694	7.0
471.34799	6.7
477.34134	7.1
495.34796	77.3
513.35614	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	513.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	9.3
57.07076	7.6
65.33476	1.6
67.05517	14.1
69.07062	25.8
69.43095	1.6
71.05013	2.0
71.08624	3.1
73.18573	1.6
79.05479	2.3
81.07069	25.0
83.08631	20.5
85.10169	2.4
91.05471	3.9
93.07043	10.8
95.08605	22.9
97.06529	9.7
97.10165	11.9
100.07607	2.0
105.07037	2.6
107.08607	12.4
109.10146	15.7
111.08111	3.1
111.11700	3.6
113.09608	2.7
114.09184	7.6
119.08576	2.9
121.10175	2.9
123.11659	8.3
128.10669	2.0
133.10120	8.1
135.11707	24.1
147.11719	6.5
149.13245	2.3
152.14360	16.5
153.12758	12.0
161.13268	4.3
170.15402	7.4
180.13950	2.6
181.12363	1.7
187.21527	1.9
198.14883	76.9
216.15921	13.8
224.57729	1.8
245.22563	3.1
263.23706	3.2
280.26395	12.1
298.27402	10.1
495.41568	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77304	3.2
57.07077	8.2
58.16940	3.6
65.35439	3.3
67.05506	23.8
69.07063	34.5
71.08626	19.3
79.05508	4.2
81.07059	46.7
83.08636	41.2
85.10166	3.9
90.16206	3.9
93.07037	17.9
95.08604	38.1
97.10184	20.4
105.14794	4.4
107.08624	13.6
109.10143	32.6
111.08039	5.6
121.10185	5.3
123.11773	8.2
125.09647	6.4
133.10172	7.4
135.11685	35.4
147.11681	6.5
152.14323	21.6
152.15552	3.7
153.12718	8.0
155.14334	4.0
170.11737	21.6
170.15341	7.8
198.14873	100.0
214.80014	4.7
216.15979	24.2
280.26364	17.3
298.27460	31.3
419.93637	5.0
495.41461	87.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
62.01844	0.9
66.89153	0.9
67.99199	0.9
69.07115	1.0
70.06597	7.5
72.08164	1.3
80.82008	1.0
84.08144	1.8
86.09695	5.4
94.06554	1.3
97.02987	0.9
108.04498	5.0
110.07101	1.3
112.07591	1.2
116.07124	1.4
122.06052	11.8
129.10269	1.7
131.10327	1.1
137.05984	1.7
140.07066	71.7
141.14090	1.0
146.06009	32.3
158.06079	1.3
158.50903	1.1
168.06557	22.9
172.03964	4.7
173.04730	12.8
174.05499	49.2
176.07104	1.7
191.05769	12.6
192.06615	2.0
197.57976	1.2
204.06575	19.0
206.08134	11.9
219.27332	1.1
245.13370	1.3
267.11185	4.2
281.09229	13.7
285.12320	9.3
295.10797	8.0
297.12253	5.6
299.10300	25.4
300.11069	2.0
313.11774	26.0
323.10260	12.7
324.11014	10.4
331.12863	1.8
341.11313	43.9
356.13617	6.2
373.13916	12.7
391.28140	1.1
440.18018	1.7
464.18094	1.7
482.19217	100.0
496.20709	18.2
514.22211	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	514.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
62.01844	0.9
66.89153	0.9
67.99199	0.9
69.07115	1.0
70.06597	7.5
72.08164	1.3
80.82008	1.0
84.08144	1.8
86.09695	5.4
94.06554	1.3
97.02987	0.9
108.04498	5.0
110.07101	1.3
112.07591	1.2
116.07124	1.4
122.06052	11.8
129.10269	1.7
131.10327	1.1
137.05984	1.7
140.07066	71.7
141.14090	1.0
146.06009	32.3
158.06079	1.3
158.50903	1.1
168.06557	22.9
172.03964	4.7
173.04730	12.8
174.05499	49.2
176.07104	1.7
191.05769	12.6
192.06615	2.0
197.57976	1.2
204.06575	19.0
206.08134	11.9
219.27332	1.1
245.13370	1.3
267.11185	4.2
281.09229	13.7
285.12320	9.3
295.10797	8.0
297.12253	5.6
299.10300	25.4
300.11069	2.0
313.11774	26.0
323.10260	12.7
324.11014	10.4
331.12863	1.8
341.11313	43.9
356.13617	6.2
373.13916	12.7
391.28140	1.1
440.18018	1.7
464.18094	1.7
482.19217	100.0
496.20709	18.2
514.22211	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	514.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	1.7
56.86872	0.6
69.07060	1.0
70.06595	34.4
72.07749	1.7
72.08157	46.5
84.04503	6.0
84.08161	1.7
86.09708	94.8
102.05558	3.6
107.15598	0.7
116.07091	100.0
127.08624	0.9
129.10254	0.9
136.07587	1.0
141.06625	3.0
155.08076	0.7
159.07677	0.9
169.06039	6.6
173.09207	41.1
185.16484	44.6
187.07127	1.9
213.15976	18.3
215.13881	1.8
230.98409	0.8
243.13394	1.4
284.12424	12.7
300.15421	1.1
302.13437	26.0
342.20209	14.5
382.61316	0.8
399.22464	10.6
415.21872	1.4
431.22412	0.9
514.28760	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	514.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.9
56.05040	1.5
57.28557	1.0
57.39091	0.9
59.27161	0.9
62.93584	0.9
66.64960	0.9
69.07054	1.1
87.67808	1.1
95.08636	9.3
97.10180	8.2
114.09166	9.8
118.08669	1.7
118.44129	1.1
125.09664	2.1
139.12299	5.4
140.10716	100.0
152.10580	1.2
154.12236	11.7
157.13368	76.7
158.11772	2.5
168.13809	2.0
170.11713	2.3
171.14912	5.9
188.38715	1.4
273.19644	1.2
277.62366	1.2
283.26501	1.1
290.58795	1.3
291.20761	2.1
292.19107	2.0
309.21756	8.9
312.40683	1.3
327.22797	72.3
341.24313	4.6
345.00757	1.2
415.38898	1.4
429.70212	1.2
461.70120	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	514.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.9
56.05040	1.5
57.28557	1.0
57.39091	0.9
59.27161	0.9
62.93584	0.9
66.64960	0.9
69.07054	1.1
87.67808	1.1
95.08636	9.3
97.10180	8.2
114.09166	9.8
118.08669	1.7
118.44129	1.1
125.09664	2.1
139.12299	5.4
140.10716	100.0
152.10580	1.2
154.12236	11.7
157.13368	76.7
158.11772	2.5
168.13809	2.0
170.11713	2.3
171.14912	5.9
188.38715	1.4
273.19644	1.2
277.62366	1.2
283.26501	1.1
290.58795	1.3
291.20761	2.1
292.19107	2.0
309.21756	8.9
312.40683	1.3
327.22797	72.3
341.24313	4.6
345.00757	1.2
415.38898	1.4
429.70212	1.2
461.70120	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	515.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.6
69.03418	4.6
69.07074	2.3
71.04976	0.6
79.05491	1.1
79.89931	0.6
81.03412	0.8
81.07052	3.7
85.02905	8.3
91.05430	0.7
93.07041	0.7
94.22799	0.6
95.08606	1.0
97.02869	3.0
99.04461	2.8
103.03947	10.9
105.07034	1.3
107.04928	2.6
107.08583	13.8
109.02872	1.1
109.06525	4.8
109.10161	2.5
119.08544	1.4
120.08086	0.7
121.10159	6.8
122.07319	0.7
123.08093	0.7
127.03919	9.6
131.08545	1.2
133.10129	100.0
135.08052	11.4
135.11717	0.7
137.09621	77.4
140.61388	0.7
145.04985	4.5
145.05949	0.6
147.11705	1.5
149.13254	10.3
150.29539	0.6
163.06024	1.5
163.14850	3.1
164.79510	0.7
173.13251	8.5
191.14305	53.9
209.15356	10.9
256.88028	0.6
272.31207	0.6
289.09052	1.3
307.10312	0.8
321.09393	0.8
532.26440	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	515.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14305	1.7
51.74101	1.9
53.03954	2.0
56.09871	1.9
56.60298	1.9
65.55579	1.9
65.75333	2.5
67.05495	2.3
69.03423	8.8
70.49924	1.9
71.26786	1.9
74.05996	2.1
81.03423	3.5
81.07063	4.4
85.02908	18.3
87.00802	2.5
91.05477	3.7
92.21368	3.0
93.07061	1.9
95.03391	2.1
95.04971	2.6
97.02892	10.6
97.82288	2.2
99.04477	5.6
100.40910	2.2
103.03949	10.1
105.07056	11.1
107.04914	2.9
107.08585	24.7
109.02885	11.0
109.06534	9.0
109.10178	8.6
121.10130	14.1
127.03951	19.9
133.10135	100.0
135.08069	15.6
135.11665	2.5
137.09621	73.5
145.02853	15.6
145.04918	2.8
145.10196	9.4
149.13228	16.8
151.11142	2.7
163.11086	3.7
163.14815	2.3
165.12698	2.5
173.13245	9.1
177.05449	28.7
191.14310	57.1
209.15308	25.4
273.43634	2.3
292.77963	2.5
304.32770	2.4
335.23608	3.0
483.19348	3.2
515.15363	3.1
515.28723	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	515.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05651	2.2
61.91581	0.5
68.82194	0.5
70.06594	26.1
72.08163	2.2
79.05484	0.6
81.07066	3.0
83.08595	0.6
85.07697	0.7
86.09731	0.7
95.06097	2.3
97.07662	1.1
101.73335	0.5
109.06526	5.7
112.08727	12.6
113.07157	2.7
115.08685	8.2
116.07101	5.7
130.06517	2.5
130.09744	1.1
131.07663	0.6
132.08124	0.6
136.07599	0.7
137.05984	20.6
138.06683	0.6
140.08191	0.9
141.06606	0.9
144.08067	0.6
146.06050	2.3
146.70140	0.6
154.08644	7.5
158.09241	11.2
159.07852	0.8
159.09174	22.3
159.10423	1.1
164.08188	0.6
170.05867	0.8
175.11916	9.0
184.07167	2.1
188.07071	16.3
205.09694	1.0
210.08751	0.8
222.53912	0.5
224.12933	0.6
233.12991	0.6
248.13965	4.4
251.13910	2.5
265.76205	0.6
266.14749	0.6
267.14902	0.6
272.40363	0.7
272.48788	0.6
276.13470	4.5
277.13339	1.1
294.14514	2.3
295.14474	3.2
313.15604	3.3
329.18213	11.0
334.11380	0.6
379.14337	0.5
515.26135	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00627	0.4
53.60144	0.4
60.05648	2.2
70.06595	28.6
71.04987	0.6
72.08150	3.7
81.07061	4.5
82.73180	0.4
84.04514	0.5
86.09716	3.4
93.07040	0.5
95.06083	3.0
97.07603	0.6
105.17150	0.4
109.06524	5.8
110.84812	0.5
112.08723	16.6
113.07133	3.7
114.10284	3.5
115.08691	6.8
116.07099	7.5
119.04970	0.6
126.09148	7.3
129.10277	0.6
130.06526	2.6
130.09746	2.3
132.08078	0.7
136.07576	1.8
137.05978	15.0
138.06615	1.9
140.08199	5.0
141.06592	0.5
144.08086	2.5
146.06024	2.4
149.05992	0.7
151.03969	0.8
151.08710	0.9
154.08630	3.9
157.10817	0.5
158.09247	12.6
159.07845	1.0
159.09158	19.9
159.10416	0.8
172.09711	0.5
175.11894	10.1
177.05501	1.9
184.07236	2.2
185.07182	0.5
187.08664	0.6
188.07054	14.0
205.09808	2.4
219.36270	0.5
220.14473	2.9
223.14418	0.9
224.12848	1.9
230.12781	0.5
248.13918	10.4
251.13919	2.6
266.14865	1.1
276.13431	3.6
277.13229	0.7
294.14545	2.3
295.14377	5.1
311.17050	0.7
312.15826	1.1
313.15466	2.7
329.18167	15.5
353.15549	0.7
515.26117	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3189
Annotation	Gln Val Leu Arg
Peak:m/z	Relative Intensity
55.28605	0.4
58.24978	0.3
67.05511	0.6
81.07064	0.9
83.08637	1.0
95.08611	0.8
97.10166	0.8
109.10125	0.6
121.10154	0.6
126.91314	0.4
142.09853	0.4
163.14806	1.1
180.17464	3.6
181.15921	0.6
222.13039	0.4
226.17961	3.3
252.19485	3.2
253.17938	0.7
253.37863	0.5
268.26755	0.5
270.20560	9.2
298.63144	0.5
395.14749	0.5
515.31891	100.0
515.43451	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	515.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31195	1.6
55.01883	2.2
55.05523	11.1
57.03448	8.3
57.07088	4.5
59.59742	1.6
61.02962	2.6
65.21143	1.8
67.05511	78.4
69.03425	2.6
69.07077	15.7
71.04999	3.3
77.73501	1.8
79.05499	39.1
81.07058	100.0
83.05000	2.2
83.08644	15.5
85.02935	2.8
85.06548	2.4
91.05468	17.3
93.07045	71.2
95.04951	2.9
95.08612	87.7
97.06548	2.8
97.10185	4.9
99.08078	2.2
105.07030	19.9
107.08605	49.6
109.06523	2.2
109.10155	45.1
109.10793	2.2
109.13200	2.0
117.07047	10.3
119.08565	21.3
121.10136	47.9
123.08062	2.0
123.11705	24.2
131.08559	26.7
133.10143	18.0
135.11684	40.4
137.13287	9.7
137.79228	1.9
145.10109	19.7
147.11726	13.3
149.13260	30.8
159.11678	16.9
161.13254	14.2
162.76138	2.0
163.14851	11.0
173.13283	17.1
175.14896	2.5
177.16400	2.9
179.66478	2.0
187.14870	8.7
191.14304	2.1
193.10260	2.2
201.16504	3.1
202.70221	2.1
205.16118	2.6
215.18103	2.4
233.22670	2.0
243.21092	26.5
244.74673	1.9
261.22098	77.3
316.19574	2.1
335.25775	27.9
353.26825	46.5
433.61584	2.1
461.29794	2.6
497.31100	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	515.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	12.6
55.05749	1.6
57.03429	7.8
57.07069	3.4
67.05509	79.9
69.03425	8.0
69.07063	14.9
71.04992	3.7
71.08653	2.3
73.02888	1.9
73.64576	1.7
79.05493	47.4
81.03458	2.0
81.07060	100.0
83.08602	11.3
83.32792	1.9
85.02924	2.7
85.06557	2.5
88.07629	2.9
91.05482	18.6
92.21017	2.6
93.07043	75.0
95.08603	67.8
97.02915	2.8
97.06517	2.1
97.10147	2.6
97.92764	2.0
99.08089	2.4
105.07032	21.0
107.08588	55.6
109.10155	42.8
111.08085	2.3
117.06994	13.4
118.03726	2.2
119.08571	25.9
121.10140	56.6
123.11703	19.6
125.13317	2.2
131.08568	25.3
133.10121	20.9
135.11687	45.0
137.13231	3.8
145.10121	26.3
147.11664	15.4
149.13232	29.8
151.14784	3.1
159.11673	21.3
161.13202	15.1
163.11143	4.0
163.14787	20.1
163.15985	2.1
173.13242	22.1
175.14862	2.8
177.16397	4.2
179.14250	3.9
187.14862	11.0
195.87900	2.3
201.16389	2.9
220.04202	1.6
233.22510	2.6
242.24808	10.4
243.21019	35.0
261.22119	87.7
279.23264	2.7
290.26822	9.4
293.41385	2.0
335.25809	14.6
349.68277	1.8
353.26871	43.9
369.24164	2.9
419.27731	2.1
461.28409	3.5
479.29926	3.5
497.31036	12.2
498.41235	2.2
501.78183	1.9
515.40723	19.8
517.02039	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	515.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05953	2.2
55.05513	12.8
57.07076	4.3
57.33224	2.5
60.87201	2.1
67.05511	74.7
69.07069	22.5
79.05498	48.0
81.07060	91.6
83.08630	5.0
85.02875	3.9
85.06541	2.9
91.05475	20.8
93.07045	69.1
95.04965	4.7
95.08601	82.1
97.06536	6.2
97.10184	5.9
102.04709	3.4
105.07055	22.8
107.08596	57.2
109.10165	51.5
117.07020	11.9
119.08559	28.0
121.10136	60.6
123.08044	3.3
123.11697	16.6
131.08585	27.8
133.10117	30.3
135.11707	40.3
137.13251	6.0
142.61627	2.9
145.09079	3.0
145.10114	24.5
147.11771	21.3
149.09621	2.9
149.13251	27.5
150.48083	2.5
159.11624	23.2
161.13298	13.3
163.11121	2.8
163.14818	13.7
172.72411	2.7
173.13252	23.6
175.14798	3.0
177.12691	2.9
177.16379	5.9
187.14830	5.9
201.16374	3.9
243.21126	30.7
256.26407	3.2
261.22116	100.0
335.25781	13.8
353.26895	45.2
377.26752	2.9
447.63721	3.3
497.31073	12.0
515.37238	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	515.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80468	0.7
55.05523	7.0
56.05048	1.1
56.88908	0.9
60.05663	0.8
67.05511	9.3
68.41275	0.7
69.03417	1.8
69.07064	1.2
71.04998	10.7
71.08626	0.9
74.06062	1.3
77.22899	0.7
79.05512	1.6
80.95481	0.7
81.07070	4.6
83.06133	1.0
83.08620	6.9
85.06541	1.0
91.05483	4.5
93.07043	5.2
95.04981	3.3
95.08616	10.1
97.33566	0.8
99.08107	1.0
101.77601	0.8
102.05556	0.9
102.69492	0.9
104.23647	0.8
105.07011	1.5
107.02102	1.0
107.08625	1.6
109.06537	1.5
109.10147	16.9
110.07168	2.0
116.08164	2.7
119.08572	10.2
121.10126	1.0
123.08028	0.9
125.09626	1.8
137.09619	20.4
139.11197	1.0
149.09700	0.8
159.11743	1.2
163.11270	0.9
166.12263	4.5
166.13474	1.7
169.12212	1.2
175.77623	0.8
180.14983	1.7
196.14557	1.0
214.01486	0.9
236.13954	1.1
252.17136	1.9
266.18558	1.7
268.16763	1.7
294.18347	1.4
382.27069	6.0
483.31860	12.8
515.34399	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3728
Annotation	Bonianic acid B
Peak:m/z	Relative Intensity
50.03277	4.2
54.39593	4.2
55.05496	7.0
55.45190	4.9
59.37353	5.3
60.43640	4.5
67.05512	38.4
69.03415	6.1
69.07071	23.2
79.05509	12.4
81.07063	36.8
83.08630	7.4
93.07034	13.1
95.08601	60.9
97.06586	5.0
105.07030	32.6
107.08596	58.3
109.10143	100.0
119.08592	52.5
120.17004	5.6
121.10136	49.6
123.08034	7.4
123.11669	20.6
131.08560	25.3
133.10130	37.1
135.08049	8.0
135.11682	20.4
143.08578	10.2
145.10098	47.4
147.11696	29.2
149.13258	9.8
157.10100	28.3
159.11641	39.6
161.13252	25.5
169.10097	11.3
171.11678	26.6
173.13271	21.0
175.14819	11.2
183.11656	7.6
185.13208	11.9
187.14743	40.0
195.11613	9.2
199.14883	21.5
201.16428	10.7
209.13281	8.8
211.14830	6.7
223.14740	7.3
225.16336	8.7
237.16309	11.7
241.19606	8.2
249.16380	6.7
251.17978	9.4
253.19418	13.4
401.31992	35.8
419.33096	75.0
437.34103	27.1
455.35104	12.1
461.33508	6.5
479.35214	54.9
497.36343	46.3
515.37195	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	516.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83984	0.8
55.05525	1.2
61.02944	1.0
61.82672	0.9
69.03435	1.7
70.06585	5.7
70.58411	0.7
72.08150	1.6
73.02930	0.9
83.08629	7.2
83.22716	0.7
84.04506	1.5
85.02925	4.3
86.09698	4.1
87.04453	0.9
97.02901	3.2
101.09687	1.4
102.05573	1.0
108.08117	28.1
108.16406	0.8
116.07111	1.5
122.06046	2.0
123.06820	1.1
124.07578	3.3
127.03940	1.9
129.10271	1.7
130.06531	22.1
132.08119	0.9
134.06044	1.5
136.07596	11.8
144.08122	1.0
146.06073	1.3
147.04411	3.0
149.07091	1.0
150.04291	1.0
150.05498	31.7
152.07066	38.0
154.08591	1.0
157.07661	1.7
158.08389	0.8
159.09174	9.3
161.07101	3.6
163.08656	30.7
166.07329	1.0
169.07581	2.1
175.08655	1.2
181.09793	5.3
184.09602	0.8
188.07143	1.2
201.12326	1.7
205.08917	1.7
207.07639	12.2
219.07736	1.2
219.75777	0.9
220.21141	0.9
221.10735	3.9
222.11520	2.1
225.08626	8.5
229.85240	1.0
247.12383	3.2
249.10199	18.9
251.11797	2.8
263.11780	17.3
265.09702	1.1
265.13260	1.0
267.11273	2.0
272.33426	0.8
275.11761	36.4
279.11185	1.2
280.12180	1.3
281.12836	16.6
292.14462	12.0
293.12854	9.2
310.15631	3.1
314.12289	4.9
343.15036	4.0
354.14545	1.8
366.91489	0.8
384.17038	3.6
387.13943	6.3
429.16699	1.6
441.16394	2.7
442.17194	1.0
443.18149	13.6
455.18246	3.3
472.20786	21.8
516.19794	100.0
516.31879	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	516.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	0.2
69.07066	2.3
74.06082	2.0
83.08643	0.2
86.09705	100.0
116.07091	0.7
117.64256	0.2
126.05523	3.6
144.06589	0.9
157.13353	6.5
185.12851	3.2
189.12352	1.9
195.11345	0.8
195.89622	0.2
211.14461	1.4
229.15431	0.2
239.13881	19.7
242.41580	0.2
257.14905	5.6
260.16052	1.5
283.26624	0.2
300.19067	0.4
328.18634	26.6
373.24869	0.2
441.27066	8.8
482.61014	0.2
531.29047	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	516.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.3
57.03434	1.8
57.07071	10.9
67.05514	3.8
69.03428	2.3
69.07066	3.8
79.05495	2.6
81.07054	9.2
83.08617	3.8
84.63158	1.8
85.02902	3.9
85.06547	16.2
91.05469	19.5
95.08572	2.2
99.08073	2.8
101.48315	2.1
104.10748	7.7
105.07048	3.3
109.06542	4.4
111.08093	7.2
125.09605	2.9
127.07561	11.1
133.10130	100.0
147.08070	2.2
149.09624	35.3
153.09134	8.2
171.10165	11.1
189.11243	11.4
337.20010	12.3
351.18121	2.4
387.53387	2.0
406.21475	1.9
485.28815	26.1
516.31708	2.7
516.38800	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	517.1337
Annotation	Formononetin 7-O-glucoside-6''-O-malonate
Peak:m/z	Relative Intensity
50.75951	0.1
55.21686	0.1
69.93105	0.1
70.20507	0.1
72.11808	0.1
80.90424	0.1
107.04930	0.3
107.57565	0.1
113.98038	0.1
118.04145	0.4
154.02596	0.1
197.06004	0.1
213.09114	1.4
226.06207	0.2
237.05536	0.8
253.04962	0.5
254.05714	2.2
269.08072	100.0
348.50208	0.1
397.91226	0.1
446.93625	0.1
517.13428	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	517.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21759	0.1
52.55669	0.1
56.05040	0.3
69.20910	0.2
71.73417	0.2
72.04512	0.2
74.06068	0.2
76.05110	0.4
77.84415	0.2
81.07059	0.3
93.07076	0.2
95.08537	0.2
106.85237	0.2
107.04922	0.2
107.08539	0.2
116.08226	2.0
118.04200	0.3
118.04942	0.5
131.83800	0.2
132.83760	0.2
144.24959	0.2
160.07127	0.8
177.09824	0.4
189.16342	0.2
204.92671	0.2
213.09077	1.4
237.05420	0.9
254.05598	1.9
269.08063	100.0
345.21329	0.3
416.13626	0.2
499.34384	0.3
517.13324	5.6
517.32251	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	517.1338
Annotation	Formononetin 7-O-glucoside-6''-O-malonate
Peak:m/z	Relative Intensity
55.30920	0.2
56.91468	0.2
57.10778	0.2
58.32410	0.2
81.07066	0.2
86.09692	0.3
109.10150	0.2
113.09687	0.2
118.04141	0.3
135.11671	0.3
145.45352	0.3
211.16925	0.3
213.09102	1.5
237.05455	0.5
241.08536	0.4
253.04807	0.5
254.05771	1.8
269.08075	100.0
297.02063	0.2
332.99850	0.2
517.13287	6.3
531.24640	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	517.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74221	0.1
59.61793	0.1
65.18189	0.1
92.84002	0.1
107.04957	0.2
112.28790	0.1
118.04176	0.3
143.83444	0.1
146.87767	0.1
154.02658	0.2
211.57791	0.1
213.09094	1.8
226.06197	0.2
237.05417	1.0
241.08542	0.2
253.04901	0.2
254.05733	2.5
269.08069	100.0
368.55002	0.2
503.42657	0.2
517.13177	1.1
517.31470	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	517.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30392	0.4
72.16445	0.6
72.97752	0.5
73.54140	0.6
79.05495	0.8
81.07063	0.9
92.42627	0.6
93.61184	0.7
94.04184	1.3
103.08672	1.1
105.07045	6.2
109.06538	3.9
115.05444	2.6
117.03394	0.9
122.03623	3.5
133.06509	4.8
137.05984	100.0
145.02846	10.2
145.06419	0.6
146.03622	1.2
149.05971	1.0
161.05968	34.5
165.47153	0.6
171.08003	1.2
175.07582	1.3
177.05472	12.5
184.05159	1.2
186.67419	0.5
187.07487	2.3
199.07545	21.7
199.09360	0.7
202.07780	3.1
203.08543	10.5
219.07983	1.2
220.08810	3.3
231.08034	24.9
232.08846	7.4
233.09451	0.7
235.11214	1.1
245.09579	1.0
248.08356	9.7
249.09132	0.9
256.19147	1.2
258.06812	1.2
259.07529	20.0
260.08258	16.2
261.09085	0.8
262.09842	1.3
263.10672	13.7
273.09082	1.0
275.07013	0.9
276.07785	12.1
277.08759	4.0
280.10855	0.9
291.10156	55.4
292.11011	4.9
293.07980	1.3
295.13150	1.1
308.10428	2.0
323.12772	42.2
336.10666	0.7
422.46506	0.6
517.38831	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	517.2291
Annotation	hesperadin
Peak:m/z	Relative Intensity
56.05045	41.3
58.40150	1.2
60.83272	1.3
72.04220	1.6
72.04525	27.9
81.07056	9.8
84.08109	1.5
93.07049	2.0
108.94953	1.4
109.06518	17.3
112.07611	1.6
114.05560	3.3
117.06644	6.3
126.09146	11.1
130.06525	13.3
131.08159	2.4
132.08090	7.8
136.07584	11.3
137.05983	77.2
137.07034	2.7
144.08075	1.9
145.32637	1.5
146.05988	7.6
154.08629	27.9
159.07834	3.4
159.09171	100.0
165.12518	1.7
169.07643	2.3
170.06038	6.1
172.09663	2.6
177.08672	25.2
185.07126	9.2
187.08670	3.4
188.07083	24.6
205.09761	3.3
210.11397	2.2
220.09698	3.7
253.11702	2.3
256.11615	1.7
277.13443	7.3
278.11502	1.9
295.14548	33.3
312.17010	3.7
313.15479	12.2
340.16489	7.1
341.14993	11.0
358.17651	3.4
396.19049	2.0
442.19473	3.2
453.21008	6.9
457.20911	6.1
464.74884	1.9
471.22473	29.9
499.21722	37.9
517.15704	2.8
517.22797	51.6
517.29694	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	517.229
Annotation	hesperadin
Peak:m/z	Relative Intensity
56.05046	42.7
60.04523	1.6
62.90461	1.2
63.75301	1.2
70.06590	3.1
72.04521	33.4
77.69595	1.3
81.07079	6.3
84.08157	1.6
86.02432	2.0
86.09698	1.6
88.21516	1.5
91.05511	1.9
93.07034	2.1
95.94370	1.5
97.68813	1.4
102.05522	1.7
109.06524	20.5
112.07635	1.9
114.05566	2.9
117.06637	13.8
119.04932	1.8
126.09142	16.7
127.07538	1.6
130.06540	14.5
132.08081	7.8
136.07582	17.7
137.05983	100.0
146.06035	8.4
154.08629	37.8
159.07852	2.7
159.09171	80.1
160.07661	1.9
170.05988	5.7
172.09698	8.3
177.08676	23.9
185.07205	5.9
187.08701	3.2
188.07045	31.9
205.09796	2.2
210.11259	2.6
220.09659	8.5
225.12392	1.9
238.10681	2.1
253.11789	6.2
271.12970	1.8
277.13339	7.9
284.09946	1.5
295.14481	24.3
312.17096	3.5
313.15070	7.2
323.13885	6.1
336.65256	2.2
340.16412	3.0
341.15100	6.2
358.17667	5.4
411.20273	1.7
439.19696	2.6
442.19510	2.2
453.21335	3.4
457.20953	7.8
471.22330	30.2
481.20920	2.6
499.21848	35.2
517.22949	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	517.2294
Annotation	hesperadin
Peak:m/z	Relative Intensity
54.63903	0.7
56.04778	1.5
56.05043	45.3
57.66626	0.9
60.04517	0.9
67.05501	1.6
72.04519	36.2
76.05101	1.3
79.05520	1.0
81.07050	8.4
86.09684	1.1
91.05447	1.3
93.07039	3.2
95.04960	1.0
102.05563	1.6
109.06516	18.4
112.07557	1.2
114.05516	6.2
117.06601	11.5
118.05029	2.0
119.04943	1.3
120.22530	0.8
122.91063	0.9
126.09153	4.0
127.07545	1.3
130.06516	14.3
131.08176	1.3
132.08096	4.6
135.07649	1.8
136.07561	4.9
137.05977	100.0
143.04497	1.2
144.08128	1.3
146.06038	7.0
154.08621	44.8
159.09163	93.1
160.07425	1.1
166.09723	1.1
170.04556	0.9
170.06003	1.9
172.09660	8.7
173.01118	0.8
177.08667	19.7
177.10014	1.2
184.07576	0.9
185.07089	3.2
187.08644	5.6
188.07059	27.1
196.09659	3.2
205.09758	4.0
210.11200	5.0
211.08687	1.0
225.68204	0.9
234.55424	1.0
235.10713	1.3
238.10655	3.6
249.13812	1.1
250.12082	1.2
253.11685	12.1
267.14819	1.8
271.12952	1.0
277.13403	7.8
278.11664	1.1
294.39722	0.9
295.14578	19.3
312.17038	8.0
313.14172	14.1
323.13962	3.6
331.15015	1.2
340.16550	14.8
341.15015	5.9
358.17554	3.5
396.18967	1.3
411.20285	3.3
439.19656	2.0
442.19577	3.9
453.21262	4.6
457.20520	6.1
471.22348	30.3
481.20142	1.4
499.21780	39.5
517.22784	62.7
517.29199	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	517.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06126	2.9
66.76588	0.3
69.03425	0.4
71.53989	0.4
71.67583	0.3
79.05499	0.8
81.03416	0.5
83.04992	0.7
91.05482	4.2
93.07076	0.4
95.04940	0.4
103.05472	0.9
105.06325	0.7
105.07040	22.8
107.08585	0.6
110.91501	0.3
111.04409	0.7
111.95830	0.4
117.07033	0.8
119.04932	4.4
119.08584	100.0
120.37926	0.3
121.06516	0.6
133.06493	9.0
133.07507	0.4
157.10115	0.5
193.55927	0.3
279.12149	0.4
299.57593	0.4
397.16519	0.6
511.87521	0.4
517.25952	5.8
517.38208	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	517.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69761	0.9
52.94885	0.9
54.85600	1.1
55.05521	2.0
57.07084	2.2
67.05507	5.1
69.03413	2.3
69.07066	7.5
71.04996	1.9
78.71111	1.1
81.03430	1.4
81.07050	9.0
83.04987	8.8
83.08636	4.8
84.34401	1.4
85.02901	14.0
85.06544	2.1
92.83314	1.4
93.07015	3.2
95.08611	20.0
95.12897	1.2
97.02882	5.3
99.04455	7.4
103.03957	18.5
105.07056	1.4
107.08596	14.2
109.02887	1.7
109.06537	4.9
109.10159	80.4
109.10913	2.6
111.08074	1.9
119.08585	22.6
121.10135	9.5
123.08054	11.1
123.11711	7.3
127.03922	20.0
133.10143	14.6
135.11696	80.0
137.09599	17.1
139.11168	2.0
145.04961	5.0
149.13271	5.4
151.11169	8.1
151.14816	14.9
153.12778	2.2
163.06029	1.8
165.16411	1.8
175.14833	29.0
193.15869	36.6
211.16927	100.0
307.10175	1.8
389.22693	1.3
453.49689	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	517.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90392	0.9
56.05043	1.4
60.05655	16.1
67.05489	1.0
68.08692	1.1
70.06592	22.7
72.04501	1.7
72.08144	2.1
73.16150	1.1
74.06075	2.6
76.05113	13.0
81.07074	1.5
83.08632	2.1
86.09698	2.1
95.06096	2.8
96.05614	1.7
102.05532	1.6
109.06519	1.8
112.08745	8.9
113.07105	1.4
114.10320	1.6
115.08655	2.8
116.07028	1.8
118.04972	4.5
124.08730	5.5
125.09541	2.5
127.47194	1.3
130.06520	2.7
132.08051	2.4
134.07198	1.5
137.06001	5.7
139.07500	1.4
140.08179	1.8
142.06180	1.2
146.06041	2.0
156.10129	2.5
158.09279	9.7
159.09172	35.4
160.07211	6.7
175.11879	8.1
177.09816	8.1
188.07034	22.3
205.09737	1.4
210.11072	1.7
238.10786	4.7
242.57205	1.3
250.15459	13.4
253.15497	1.4
278.15039	5.7
295.14334	2.4
297.15967	4.3
331.19739	7.1
344.17590	2.5
427.20944	1.7
472.78674	1.3
499.27582	6.3
517.28595	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.6
55.05522	21.4
57.03435	4.4
57.07075	10.7
67.05185	3.7
67.05517	75.1
69.03433	3.6
69.07063	31.0
71.04980	2.4
71.08637	4.4
79.05494	20.5
81.07066	100.0
83.08634	20.5
85.06530	4.9
91.05479	14.6
93.07057	25.7
95.08613	98.2
97.02958	3.2
97.06529	5.0
97.10178	17.0
99.08080	3.8
105.07052	10.3
106.50729	2.7
107.08602	20.3
109.10175	55.8
111.08097	2.7
119.08566	15.3
121.10146	35.2
123.11702	28.7
125.03166	2.8
133.10147	22.6
135.11697	21.1
137.13281	10.4
147.11699	16.2
149.09685	2.6
149.13264	16.3
151.14816	6.3
161.13281	19.5
163.14833	16.4
165.16489	9.4
175.14813	10.5
177.16467	3.8
179.18076	4.2
189.16364	2.6
202.05176	3.1
204.77905	2.6
238.10565	14.5
245.22656	62.9
263.23718	79.3
337.27347	38.7
499.32678	12.5
517.39990	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	517.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	9.9
57.03424	4.2
57.07073	10.9
62.16467	2.1
64.17000	2.6
67.05181	5.0
67.05512	69.3
69.03422	3.3
69.07076	22.1
71.04977	2.3
71.08628	9.9
79.05488	17.4
81.03427	2.5
81.07066	100.0
83.04979	3.2
83.08640	23.7
83.09082	2.8
84.53716	2.6
85.10191	5.4
91.05473	15.3
91.96821	2.7
93.07034	28.7
95.08609	83.2
97.06534	4.7
97.10191	19.4
99.08078	3.8
105.07045	5.7
107.08617	20.0
109.10152	47.6
111.08058	3.3
114.22270	2.6
119.08640	21.8
121.06362	2.8
121.10128	26.3
123.11692	27.0
131.08620	2.8
133.10118	19.4
135.11739	17.9
137.13251	10.3
145.10161	2.9
147.11688	15.2
149.13264	10.6
151.11255	4.9
151.14766	3.2
161.13292	22.0
163.14806	11.7
165.16357	3.9
175.14851	14.2
179.17938	3.1
187.62616	2.6
189.16440	3.2
245.22627	54.6
263.23691	76.4
337.27310	29.6
355.28464	5.1
454.75583	3.4
490.17755	4.1
499.32629	6.0
517.36578	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	517.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62515	0.8
52.33626	0.8
54.43919	1.0
55.05512	6.9
57.03452	2.2
57.56063	0.9
60.73667	0.8
63.36597	0.9
65.79852	0.8
67.05510	10.3
69.07078	10.4
79.05492	10.1
81.07069	22.4
83.08630	5.2
86.17332	0.9
90.21407	1.0
91.05482	5.3
93.07031	13.6
95.08602	21.3
97.06531	1.7
97.10171	4.0
105.07046	10.0
107.08598	11.5
109.10169	10.8
117.07069	3.2
119.08608	10.6
121.10110	10.3
123.11677	1.4
131.08569	8.9
133.10115	10.7
135.11699	7.6
143.08562	1.6
145.10118	10.0
147.11716	8.5
149.13275	5.5
157.10118	4.0
159.11691	12.4
161.13226	7.6
171.11671	2.4
173.13260	6.5
175.14774	2.3
183.11711	1.8
185.13275	1.9
187.14793	2.5
189.16360	1.1
197.13300	2.0
199.14818	1.2
213.16646	1.6
239.17972	1.3
338.60623	1.0
361.55643	1.1
407.33170	1.7
425.34219	6.1
443.35187	1.6
499.37842	6.5
517.38867	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33490	0.7
68.21275	0.7
79.05527	0.8
81.07073	1.6
83.08605	0.8
92.28368	0.8
93.07084	1.1
95.08586	2.9
109.10175	1.7
113.00011	9.1
119.08578	1.0
121.10144	0.7
128.11108	0.7
133.10110	0.8
135.11713	0.8
138.22701	0.7
146.06721	0.8
150.97910	0.7
208.39188	0.8
210.11006	14.8
238.14128	68.6
272.98892	0.8
302.24646	0.9
308.71451	0.7
331.29816	1.1
359.80554	0.8
386.52502	0.8
405.33823	1.7
453.64099	0.8
466.97098	0.8
499.31723	1.2
517.39777	100.0
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
52.06374	1.0
55.54022	1.0
62.66538	1.1
63.48792	1.1
86.28216	1.6
90.91278	1.2
92.21555	1.3
190.91556	1.5
236.13757	8.6
238.14142	74.6
281.82416	1.5
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
50.00869	0.9
50.69124	0.9
62.90352	1.0
69.07077	1.6
69.84048	1.0
69.93317	1.1
71.08627	1.3
87.88477	1.0
89.06037	1.7
91.19127	1.1
98.99039	1.0
100.73656	1.1
133.77007	1.2
138.48360	1.0
210.10963	13.6
238.14116	69.9
294.83054	1.3
361.97791	1.3
385.91415	1.3
500.36572	2.5
517.39801	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96124	0.6
52.36642	0.6
54.39706	0.6
63.24575	0.6
69.16431	0.7
81.07048	0.9
87.47138	0.7
109.10161	1.4
157.07635	1.4
159.09195	1.0
175.08719	1.0
279.83426	0.8
465.34891	1.4
482.37347	8.0
483.35846	21.9
490.63617	0.9
500.38461	50.8
517.41119	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42101	0.3
69.07043	0.6
70.06551	1.9
72.04465	0.4
72.08132	0.7
76.05097	0.7
84.08086	0.4
86.09660	2.3
95.53689	0.3
95.82030	0.3
96.08091	2.1
97.06518	0.3
106.09787	0.3
114.09159	15.7
120.08078	0.7
131.11780	0.6
132.10159	0.4
160.07062	0.4
170.73909	0.4
177.09773	0.5
178.01064	0.4
209.16525	2.7
220.49773	0.4
226.19135	0.5
227.17497	2.0
228.15875	1.9
279.08981	4.1
294.11224	2.6
307.08383	33.7
320.09186	7.1
321.09879	0.5
322.10730	100.0
322.24966	1.3
334.10742	3.5
339.27484	0.5
340.25925	0.5
488.11142	0.4
518.18103	61.2
518.29608	3.6
518.39526	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	518.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	8.3
53.53799	1.6
69.03437	15.8
72.05481	1.7
73.02921	3.7
81.03424	29.9
83.04972	2.4
85.02901	46.6
87.00819	22.4
87.78968	2.0
91.05482	92.1
97.02889	41.8
99.04443	26.5
103.03947	10.9
105.01876	27.7
107.44775	2.0
109.02882	88.7
127.03913	100.0
129.01825	7.5
131.16045	1.9
137.05963	2.2
145.04959	15.4
147.02885	3.9
159.02922	17.6
208.82895	2.2
213.03937	15.1
217.08543	3.1
231.05023	27.8
249.06006	17.3
253.06982	3.4
291.07092	10.4
321.10031	2.4
373.68042	2.2
375.09158	12.8
393.10306	27.5
448.93350	2.0
483.14600	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	518.202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99390	0.8
56.05036	1.4
60.04543	0.9
61.90976	0.9
62.91496	0.9
63.95765	0.9
70.06590	5.6
72.08160	4.9
74.06115	1.3
74.39529	1.0
84.08138	4.3
86.09724	9.2
102.05618	0.9
109.29205	0.9
114.18243	0.9
120.08103	6.1
129.10266	6.0
130.45529	0.9
135.04422	1.3
144.06606	1.1
145.51451	1.0
149.05969	9.4
151.07565	2.0
167.07037	7.7
177.05443	1.2
178.08734	1.9
182.44174	1.1
188.07065	44.6
189.07858	13.6
189.14896	1.1
190.08694	4.9
203.08360	1.2
206.08107	10.5
218.75714	1.1
229.47382	1.2
247.07425	7.0
255.10199	1.4
256.89047	1.1
270.18195	2.3
275.06912	9.1
295.09735	1.6
307.09698	4.3
308.12851	1.5
309.11212	1.0
317.39706	1.2
320.09146	9.5
325.10733	1.5
338.13889	20.9
356.14917	77.8
374.62512	1.1
500.27203	1.9
518.20300	100.0
518.28644	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	518.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90619	1.3
54.48127	1.3
56.05047	20.5
56.27641	1.3
70.06594	6.7
72.04520	24.7
72.08154	3.8
74.06075	3.4
76.05121	3.8
81.07043	12.0
84.04494	2.4
84.08110	1.7
85.02918	3.3
86.09720	14.3
91.05489	7.5
93.07031	1.7
97.54070	1.4
99.04480	2.1
102.05589	1.9
109.02908	3.7
109.06519	23.4
114.09171	2.2
115.23608	1.7
117.06606	27.3
118.05005	7.4
120.08110	2.2
120.58325	1.7
126.09146	2.9
127.03933	7.9
127.07540	2.2
130.06531	40.6
132.08080	6.0
135.07695	8.7
136.07602	6.9
137.05992	100.0
145.85828	1.5
146.06013	8.5
151.03877	2.0
154.08658	17.0
157.07645	3.1
159.09184	99.6
160.07140	2.0
160.90506	1.7
161.05496	2.7
170.06044	6.3
177.09807	3.0
178.08316	2.3
185.07121	1.5
187.08624	5.6
188.07065	38.3
205.09749	2.9
225.12413	2.3
253.11795	13.4
255.13287	2.3
260.10773	1.8
277.13336	9.4
295.14490	18.0
313.15463	9.5
314.17847	1.5
322.10703	3.6
323.13788	2.5
341.14969	7.4
358.17831	2.8
411.20172	6.2
424.13129	1.6
429.21216	1.7
439.19608	6.9
457.20792	58.5
472.21902	3.0
475.21890	29.1
500.21384	14.9
518.22107	12.8
518.28925	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	518.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04805	1.9
56.05048	27.9
67.05494	1.2
70.06629	1.6
72.04525	27.2
72.08173	2.8
74.06080	2.4
76.05128	1.4
78.16527	1.6
81.07082	13.7
84.04510	2.0
84.08148	3.3
85.63560	1.4
86.09698	3.0
89.06039	2.1
89.07148	2.7
91.05482	2.8
93.07055	1.8
103.22047	1.4
106.81921	1.4
108.08127	1.4
109.06523	28.5
110.07195	1.4
115.50722	1.3
117.06623	37.3
118.05025	6.6
119.04974	2.7
124.07616	1.3
126.09156	20.7
127.07561	2.0
129.28848	1.3
130.05646	2.5
130.06538	49.4
132.08101	8.1
135.07683	7.1
136.07591	7.8
137.05984	95.7
142.06560	1.6
146.06006	8.1
149.20360	1.5
152.36093	1.3
154.08632	25.6
157.07620	5.0
159.09178	100.0
161.05557	2.3
169.07626	1.6
170.05980	1.8
172.09776	1.7
178.08257	5.8
185.07109	6.5
187.08614	4.9
188.07098	42.9
205.09706	6.6
210.11266	1.8
225.12369	5.9
236.10765	1.7
253.11871	6.3
255.13467	2.3
277.13333	6.5
294.33203	1.4
295.14432	25.7
313.15479	13.6
323.13785	2.6
336.12454	1.8
341.14871	9.2
411.20279	8.5
429.21194	2.6
439.19736	5.1
457.20776	72.1
472.21750	5.3
475.21902	45.4
500.21338	11.1
518.22620	29.8
518.29333	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	518.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12898	0.3
54.99162	0.3
57.93444	0.3
58.06587	0.4
60.59050	0.3
65.56232	0.3
98.67716	0.4
101.36457	0.4
112.77138	0.4
151.07458	0.4
192.10196	0.5
204.10246	0.9
206.11766	100.0
356.18570	59.9
518.23822	59.3
532.32050	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	518.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12898	0.3
54.99162	0.3
57.93444	0.3
58.06587	0.4
60.59050	0.3
65.56232	0.3
98.67716	0.4
101.36457	0.4
112.77138	0.4
151.07458	0.4
192.10196	0.5
204.10246	0.9
206.11766	100.0
356.18570	59.9
518.23822	59.3
532.32050	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	518.242
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47400	0.2
57.72765	0.2
61.73973	0.2
66.53002	0.2
67.21547	0.2
69.03449	0.3
85.02877	1.7
91.05461	1.1
92.21018	0.5
92.21518	0.5
93.29482	0.2
100.76292	0.2
103.03957	0.3
109.02827	0.5
120.98161	0.2
122.02692	0.5
127.03888	1.8
133.10089	0.3
145.04953	0.3
217.15880	100.0
235.16928	78.7
280.67581	0.3
284.07983	1.3
327.53226	0.3
356.18762	1.1
375.09308	0.5
393.59512	0.3
397.22229	9.9
408.59103	0.3
420.18576	0.3
518.24213	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	518.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	4.0
57.73512	0.7
59.97976	0.7
60.08170	1.9
60.10104	0.9
69.07084	1.0
71.07378	3.7
71.08628	3.8
83.08613	1.4
83.51498	0.8
85.10200	2.2
86.09703	23.8
95.08624	2.1
96.25285	1.0
104.10746	100.0
104.35071	0.8
135.00162	0.9
136.50690	0.9
146.98181	25.8
227.56252	0.8
313.27396	16.1
320.46817	1.2
333.45151	1.0
459.24796	25.0
518.32184	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	518.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38339	0.4
52.48665	0.4
58.56653	0.4
60.08167	4.7
62.83518	0.4
67.05492	0.5
71.07394	1.0
73.34327	0.5
75.97932	0.5
79.26323	0.4
81.07047	0.6
86.06047	0.5
86.09705	24.3
87.04464	2.5
93.85059	0.5
98.98369	0.5
104.07083	2.2
104.10736	2.7
118.50390	0.5
125.00008	13.3
135.08105	0.5
168.39061	0.6
184.07339	100.0
222.03383	0.6
309.17010	0.6
341.86636	0.7
455.10709	0.6
500.31345	1.2
518.32257	16.9
518.39972	0.8
518.42737	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	518.324
Annotation	1-18:3-lysoPC
Peak:m/z	Relative Intensity
52.26792	0.6
56.05053	0.6
58.06609	0.7
60.08169	12.1
67.05502	1.3
71.07362	2.6
78.75681	0.5
81.07066	1.1
86.09704	35.6
93.07030	1.5
95.08604	1.2
98.98420	0.7
104.10742	85.7
125.00008	19.3
130.89146	0.6
145.10107	0.6
150.88478	0.6
163.01532	0.7
166.68741	0.6
184.07332	100.0
240.21075	0.7
447.92722	0.7
500.31293	6.2
518.32355	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	519.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.1
56.05045	1.0
60.05628	0.2
69.03420	0.2
70.06570	0.3
74.06033	0.3
75.63026	0.1
76.05096	0.2
81.03392	0.2
84.08123	0.3
85.02859	0.3
86.09676	0.4
91.05438	0.1
95.08582	0.2
97.02866	0.1
105.01783	0.2
109.02798	0.2
115.07503	0.1
118.05003	0.1
120.08061	0.2
127.03841	0.2
130.06494	0.2
130.08618	0.1
137.05942	0.3
144.06538	0.2
149.02357	0.3
153.01765	0.7
154.67345	0.1
159.07999	0.1
159.09171	1.0
159.32382	0.1
160.07213	0.3
160.09502	0.4
167.41187	0.1
177.08495	0.2
177.12491	0.1
196.12752	0.1
215.06972	0.9
243.06494	1.0
246.64214	0.1
253.04977	0.5
270.18048	0.3
271.06003	100.0
288.27155	0.1
306.18076	0.1
326.47290	0.2
344.21777	0.2
433.11368	0.8
473.22580	0.2
519.11395	7.0
519.23804	0.8
519.30920	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	519.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	0.4
60.41103	0.2
62.98380	0.2
69.03440	0.4
69.07027	0.3
70.06578	0.4
73.62905	0.3
85.02862	0.3
95.08620	0.3
96.08119	0.5
97.04763	0.3
103.03963	0.4
106.43904	0.3
109.02850	0.5
114.09171	5.3
114.64770	0.3
117.94566	0.3
121.10119	0.4
127.03904	1.3
132.06578	0.3
137.06026	1.1
147.04401	0.4
153.01779	0.3
157.07603	0.4
159.09158	1.6
177.16530	0.4
209.16470	1.2
228.15857	1.1
245.89212	0.3
271.06006	100.0
341.71005	0.3
501.23602	0.4
518.89093	2.4
519.11292	20.9
519.23840	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.6
55.34511	1.0
56.05043	39.4
58.40102	1.0
62.26569	1.0
64.44596	1.0
66.50065	1.3
69.07063	2.1
70.06591	1.5
72.04523	23.0
81.07073	1.2
83.08617	5.4
86.09704	2.1
86.45390	1.0
92.20982	1.3
93.07076	1.9
95.53043	1.3
107.08601	1.2
110.09683	1.7
111.08099	6.1
114.05597	1.9
114.09190	6.7
117.06630	5.8
121.10145	1.2
128.10738	2.9
130.06525	10.6
131.08151	2.1
132.08092	5.9
137.06003	4.5
138.09189	6.6
139.07539	18.9
145.10110	1.3
146.06010	2.9
156.10204	39.3
157.08623	5.1
159.07860	3.3
159.09167	84.4
170.06059	5.8
174.09898	1.3
174.11108	8.4
177.08716	25.3
187.08797	3.0
188.07063	21.6
205.09793	5.1
212.12892	2.0
217.15872	66.1
218.16211	100.0
227.13927	2.3
235.16917	55.6
236.17256	71.1
236.19588	2.6
248.50771	1.3
255.13388	5.5
271.06265	2.6
279.15021	6.2
297.16064	33.1
307.10580	1.3
314.18655	8.2
315.16397	6.6
325.15591	2.4
342.18268	6.0
343.16681	5.6
360.19446	1.8
398.22644	10.0
413.21875	2.2
444.21140	1.6
455.22971	2.8
459.22437	6.1
473.23911	26.0
501.23505	31.9
519.15063	7.5
519.24591	75.4
519.31403	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	519.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	3.0
56.05043	36.7
57.05840	1.5
60.04507	2.2
67.05511	4.2
69.07082	1.7
70.06588	9.2
72.04514	10.0
74.06096	3.9
78.98341	1.6
79.05486	3.7
81.03422	12.5
81.07066	7.7
83.08617	12.2
88.03988	2.4
91.05462	2.0
93.07044	3.4
95.04996	8.0
95.08598	10.2
97.10182	3.7
98.06057	100.0
102.05539	13.0
106.34415	1.8
107.08589	4.4
109.10139	8.3
111.04428	3.2
111.08099	2.8
114.05527	3.3
116.07128	4.5
118.05016	8.3
120.06575	4.6
123.08051	13.2
125.09645	3.4
126.05585	2.4
133.10211	2.4
135.11630	2.3
136.37558	2.2
144.06557	62.3
147.88005	1.9
151.07558	9.9
151.11185	2.4
155.10699	3.8
160.05980	7.7
161.09227	3.4
163.11156	2.8
173.09340	2.7
177.08693	70.7
180.13824	2.9
191.91486	2.0
193.12265	14.6
198.14896	12.6
219.09750	71.1
223.13298	3.0
223.19560	1.8
225.14771	3.2
243.30055	1.9
275.20108	3.4
290.65811	2.1
293.20990	3.5
301.17542	2.2
307.22672	62.3
319.18555	17.9
320.67236	2.0
325.23697	27.4
501.31689	2.9
509.57474	2.6
519.20776	8.1
519.32825	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	519.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34348	1.9
55.10201	2.7
56.05038	11.4
57.36895	2.4
66.01888	2.4
70.06607	2.4
72.04500	3.8
73.18828	2.6
74.06087	19.0
76.05122	11.2
87.05589	6.0
93.07050	2.8
109.10152	13.4
112.83803	2.8
116.18117	2.4
118.05003	3.5
119.08614	2.5
120.06601	6.1
126.06648	13.3
127.07431	5.3
133.06117	6.5
137.09590	3.3
140.08214	6.6
154.12270	36.3
160.07179	11.9
168.11305	3.6
172.13356	46.4
177.05162	2.5
177.09784	19.1
197.15100	3.0
210.16039	12.3
240.17068	15.7
250.15492	5.0
253.15427	4.8
256.16748	4.4
268.16595	22.0
269.17395	15.2
270.18216	3.0
271.08722	10.3
286.17642	25.2
386.26447	17.7
387.22382	32.6
487.31320	77.1
519.34045	100.0
536.73718	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	519.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68281	0.6
56.05051	7.0
57.79329	0.6
59.04860	0.7
60.05641	2.9
62.72565	0.7
62.76770	0.7
67.04273	0.7
67.05505	1.5
69.07050	0.9
71.08633	0.8
72.04512	8.1
74.02461	1.3
74.06083	8.7
76.05128	25.0
79.05497	1.8
81.03432	1.6
81.07070	4.4
83.04982	1.3
83.08613	1.9
86.07182	1.0
91.05441	1.3
93.07051	1.3
95.04955	3.1
95.08634	3.1
97.59195	0.7
99.04459	0.7
99.07983	1.1
102.05540	1.8
105.07069	1.1
107.08588	1.5
109.06480	1.8
109.10169	4.1
110.07223	0.7
111.08128	0.9
116.08245	1.5
118.05027	14.3
119.08585	1.5
120.06584	3.6
121.10095	1.2
123.08082	1.3
125.09675	1.2
126.06627	8.4
127.07429	3.4
128.51732	0.7
133.10188	1.3
135.07718	1.3
136.25418	0.9
137.09673	1.2
140.08192	6.9
141.09041	0.9
147.11749	1.3
151.11218	1.4
154.09744	1.0
154.12296	11.6
154.13440	1.1
160.07166	23.0
162.91699	0.7
163.11177	0.9
165.09042	0.8
168.11368	3.4
175.11232	1.1
177.09860	21.4
180.12325	0.9
182.12935	0.8
186.14914	17.3
186.16460	1.1
192.13641	0.8
193.12239	3.2
196.14444	1.0
210.16052	7.0
215.52448	0.8
226.15454	1.6
235.14427	0.8
235.42789	0.8
240.15903	0.9
250.15509	4.6
254.18660	5.0
266.18768	1.2
267.16995	1.8
282.18121	10.4
283.18854	7.2
284.19748	3.8
293.20901	0.8
300.19232	11.7
307.22681	3.3
321.09793	0.8
336.12274	1.0
345.91330	0.7
400.28262	1.6
401.24002	11.3
501.32831	24.5
519.23401	4.1
519.33911	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.7
55.01883	2.0
55.05521	6.7
56.05036	3.4
57.32249	1.7
58.04131	2.0
58.59971	1.4
66.22936	1.4
67.05497	9.0
69.07066	2.5
71.04984	2.1
71.08653	2.8
72.04518	3.0
74.06081	3.8
76.05135	16.1
79.05499	6.7
81.03429	14.3
81.07081	13.9
83.04948	3.3
83.08617	14.5
85.02914	2.2
87.37746	1.6
91.05496	2.0
93.07053	8.1
95.04963	18.4
95.08597	18.4
97.06515	3.0
97.10152	7.7
98.06037	2.9
99.08085	1.6
102.05525	3.2
102.25005	1.5
105.07026	3.2
107.08591	9.2
109.06505	1.9
109.10146	8.3
111.04433	3.1
111.08085	8.0
116.08207	26.2
118.05016	12.2
119.08591	3.4
119.37228	1.6
120.06529	2.1
121.10130	8.9
123.08056	23.6
125.09635	12.8
127.87683	1.8
131.08545	2.3
133.10114	3.4
135.11697	4.0
139.11189	8.4
144.06567	2.5
145.10080	3.6
147.11714	7.1
149.09593	7.4
151.07527	12.3
151.11166	8.2
153.12733	9.1
153.25960	1.8
155.10667	12.7
155.17822	1.7
157.10120	3.2
158.08125	2.5
160.07170	18.8
163.11203	14.1
165.12750	3.9
173.11731	2.4
173.13246	1.9
175.11197	7.1
177.09828	65.5
177.11356	2.9
177.12718	3.2
181.12245	8.8
182.15494	2.5
191.10477	3.3
193.12222	18.2
201.11174	2.3
203.12968	1.6
225.14743	3.9
275.20013	10.8
279.03751	2.4
293.21158	17.9
307.22656	100.0
311.22232	6.6
320.09506	2.0
320.78790	1.7
321.09464	6.7
325.23737	46.2
332.59378	2.0
455.14935	1.7
458.82181	1.9
498.73044	2.8
501.32330	2.4
507.73459	2.0
519.22137	6.3
519.33405	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	520.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57479	0.1
56.42999	0.2
60.59580	0.2
60.93346	0.2
63.02343	0.2
69.03412	0.2
75.65182	0.2
81.03413	0.5
85.02885	0.3
86.09707	0.2
89.03906	0.8
91.05480	0.3
92.21282	0.4
93.07043	0.2
99.80926	0.2
107.93316	0.2
109.02857	0.3
109.10169	0.2
114.06097	0.2
117.03391	4.0
119.08566	0.2
127.03902	0.4
129.23734	0.2
145.02850	36.4
147.04422	1.1
149.06004	2.1
177.05466	100.0
178.05858	0.2
195.06548	1.2
234.93079	0.2
321.09738	0.7
336.12424	0.2
339.10782	1.9
451.87485	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	520.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91187	1.1
52.65479	1.0
55.01869	1.7
57.03445	1.8
69.03435	10.6
70.06593	10.5
72.08176	2.0
73.02900	1.4
75.04482	1.4
81.03426	8.3
84.04510	1.8
85.02908	22.7
86.09705	5.8
87.00834	6.3
97.02882	10.2
98.06071	1.8
99.04456	1.9
100.07631	2.4
103.05461	10.3
105.01884	7.3
109.02887	11.1
114.92506	1.5
116.07058	1.7
119.04877	2.3
127.03926	14.7
128.07079	8.4
129.01817	1.6
129.10287	1.7
131.04927	100.0
133.06474	2.0
135.94759	1.4
137.05994	3.4
145.04985	1.9
147.04442	3.0
148.05183	30.4
151.07581	2.7
159.02844	9.0
161.06007	8.6
162.06801	1.9
163.07538	54.5
166.06259	3.3
181.08514	5.8
187.83746	1.6
201.09044	2.0
213.12325	2.5
231.04997	5.0
237.11192	60.4
255.12340	6.4
272.85062	1.5
279.12473	1.4
297.05637	1.2
310.17639	2.2
313.53473	1.4
350.52200	1.4
420.03687	1.5
485.16415	20.1
520.18848	2.8
520.30957	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	520.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
60.52365	0.8
70.06596	4.8
72.08177	2.2
84.08147	2.0
85.02969	1.3
86.09708	1.7
96.68809	1.0
97.02898	1.2
120.08147	1.1
129.10228	1.9
136.07657	1.0
137.06075	2.1
138.71115	0.9
139.50624	0.8
149.05968	3.5
151.07544	13.9
161.06064	1.2
167.07028	2.3
177.05399	3.1
180.10242	5.5
190.08624	52.9
190.59998	0.9
191.07028	1.7
191.07671	1.4
191.09418	16.0
192.10155	3.3
195.08136	1.1
204.06812	1.1
208.09660	11.1
213.12033	1.2
223.07445	1.3
242.72578	0.9
249.09134	3.9
277.08643	9.7
295.09738	1.5
308.12967	1.2
325.13199	1.4
340.15442	14.3
357.24146	1.0
358.12125	2.3
358.16479	65.0
376.40485	1.1
491.36340	1.3
520.21838	100.0
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
52.46872	0.6
58.06612	28.0
58.06883	1.2
63.37477	0.6
69.03461	3.7
70.06617	4.1
84.08167	0.8
85.02909	7.5
85.40897	0.7
86.09716	1.1
88.33266	0.7
92.20735	0.7
97.02882	0.9
101.07147	1.2
116.07090	0.7
116.69009	0.8
120.08113	1.1
127.03967	1.5
129.10258	1.4
137.05984	1.6
145.04985	1.0
147.04413	5.3
150.41216	0.7
168.09657	0.8
178.03159	7.4
184.24277	0.7
190.08722	0.8
235.07584	3.8
237.09091	3.5
237.11385	0.8
238.06238	1.3
239.07321	1.0
249.05502	1.8
251.07025	1.1
253.08592	10.4
263.07092	1.7
266.05814	3.0
266.86020	0.8
267.10129	1.2
279.06543	2.8
281.08078	69.9
282.08905	0.8
283.06158	0.9
283.09735	1.4
295.09619	12.0
298.08350	26.7
298.11514	1.0
311.09088	3.8
312.09857	0.9
313.10782	10.4
340.09253	1.3
452.30637	0.9
520.21820	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	520.218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46872	0.6
58.06612	28.0
58.06883	1.2
63.37477	0.6
69.03461	3.7
70.06617	4.1
84.08167	0.8
85.02909	7.5
85.40897	0.7
86.09716	1.1
88.33266	0.7
92.20735	0.7
97.02882	0.9
101.07147	1.2
116.07090	0.7
116.69009	0.8
120.08113	1.1
127.03967	1.5
129.10258	1.4
137.05984	1.6
145.04985	1.0
147.04413	5.3
150.41216	0.7
168.09657	0.8
178.03159	7.4
184.24277	0.7
190.08722	0.8
235.07584	3.8
237.09091	3.5
237.11385	0.8
238.06238	1.3
239.07321	1.0
249.05502	1.8
251.07025	1.1
253.08592	10.4
263.07092	1.7
266.05814	3.0
266.86020	0.8
267.10129	1.2
279.06543	2.8
281.08078	69.9
282.08905	0.8
283.06158	0.9
283.09735	1.4
295.09619	12.0
298.08350	26.7
298.11514	1.0
311.09088	3.8
312.09857	0.9
313.10782	10.4
340.09253	1.3
452.30637	0.9
520.21820	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	520.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33741	0.8
53.51258	0.9
56.05047	17.4
62.26508	0.8
69.07082	1.4
71.32096	0.9
72.04523	16.1
74.06092	1.0
77.85092	0.9
83.08623	7.3
90.16288	0.9
100.03963	5.2
110.09700	2.0
111.08080	8.5
117.06631	16.1
118.05031	7.4
118.06464	1.1
128.10701	2.3
130.06526	40.7
132.08081	7.0
135.07629	8.9
138.09167	8.2
139.07541	19.1
142.89633	1.0
146.06003	9.4
156.10208	49.4
157.07556	1.4
157.08638	2.4
159.09174	100.0
161.05585	3.5
162.03285	1.0
168.10210	0.9
170.06003	7.9
174.11293	4.4
175.09685	1.3
178.08231	5.0
187.08690	4.7
188.07088	42.6
193.13382	1.8
196.07693	1.2
205.09763	4.2
207.11278	2.0
212.12906	1.2
225.12335	1.9
227.13901	5.4
240.12267	1.2
255.13419	5.1
273.14420	2.3
279.14853	8.3
297.16000	35.0
315.17041	12.6
316.15033	1.9
325.15552	5.2
341.15445	1.1
343.16553	8.5
413.21667	6.5
431.22980	2.1
441.21283	7.7
459.22360	62.9
474.23401	6.5
477.23477	42.6
502.22736	10.6
520.23914	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	520.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30947	1.1
67.05485	0.9
78.38704	0.9
81.07065	6.9
91.05470	1.1
93.07026	1.7
95.04977	1.7
99.35023	1.0
99.76435	0.9
103.05542	1.1
109.06516	17.2
120.08094	100.0
127.65518	0.9
130.06487	4.1
132.08070	5.2
137.05971	36.3
146.06055	1.1
159.09157	18.4
160.07568	23.5
166.08597	1.5
169.07594	1.2
170.06035	4.9
181.35536	1.0
185.07085	4.5
188.07082	2.0
202.08615	44.6
206.33188	1.0
219.11311	5.8
243.62444	1.1
250.12329	1.4
256.13248	9.6
260.11047	1.1
263.52042	1.2
267.15042	1.9
274.14447	6.1
277.13403	9.6
278.11679	1.7
295.14398	20.9
302.13861	1.9
315.56049	1.0
323.13748	3.9
337.15536	1.5
355.16415	16.1
442.21359	2.2
460.22278	19.8
474.23941	15.6
488.21658	10.7
502.22937	6.4
520.24463	28.4
520.32172	2.4
547.35596	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	520.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00272	0.7
60.68469	0.7
68.68420	0.7
70.77274	0.7
73.13629	0.7
78.60188	0.8
79.05486	1.7
81.07058	10.6
83.08629	1.2
85.02912	0.8
91.05478	4.4
93.07038	4.2
95.04948	1.3
97.02892	0.9
103.05442	1.6
108.08137	0.8
109.06519	21.4
111.08104	1.4
118.06567	1.2
118.17223	0.9
119.04949	1.7
120.08107	52.2
121.06480	6.9
127.07554	1.0
130.06520	7.7
131.04904	3.7
132.08092	9.5
136.06140	1.5
137.05980	34.7
138.10242	0.8
142.06551	1.2
143.69057	0.8
144.08078	1.1
146.05992	10.9
154.12152	1.0
157.07666	0.9
159.09169	100.0
160.07570	4.1
163.07504	1.7
165.19305	0.8
169.07640	1.4
170.06081	5.8
171.14832	0.9
180.10176	17.0
185.07101	5.4
187.08658	5.5
188.07060	16.2
202.08679	3.0
205.09689	1.1
211.08585	1.1
222.12900	1.0
232.11189	1.4
236.10814	1.1
238.12312	1.0
244.11160	1.5
249.13879	1.7
250.12244	1.6
256.13367	5.9
260.10556	1.6
263.11774	1.0
267.14893	3.6
277.13266	7.7
295.14407	16.8
313.15524	11.1
316.15427	9.6
323.13940	4.6
334.10312	0.9
341.14963	4.9
355.16290	1.3
370.62241	0.9
410.93173	0.9
442.21249	1.2
460.22327	13.7
474.23804	21.1
488.21683	6.6
502.23395	13.4
520.24438	31.8
520.31201	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	520.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	2.6
61.02911	2.5
62.05594	1.9
67.05495	3.7
69.03426	14.2
69.07082	3.9
75.63927	2.1
81.03417	3.4
81.07049	14.4
83.08585	3.4
85.02903	56.0
88.98887	2.2
95.08601	12.2
97.02917	21.6
97.10166	4.2
99.04452	23.6
103.03951	88.8
107.08617	3.4
109.02861	11.4
109.10163	17.7
119.08552	2.9
121.74115	2.1
123.11678	15.4
125.83788	2.2
127.03928	100.0
145.04962	40.3
160.49547	2.1
163.06030	34.5
176.72336	2.5
179.17931	3.9
194.29547	2.7
237.16367	3.6
267.02368	2.6
271.08270	2.9
289.09201	5.5
298.42471	2.3
307.10208	17.0
336.12146	9.5
517.90509	2.7
520.40118	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	520.333
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66871	1.0
69.59439	1.1
70.06621	1.1
72.08171	11.0
84.04486	1.6
86.09702	1.3
87.04462	8.1
89.06039	100.0
89.68892	0.8
104.11480	1.2
107.07069	1.1
114.60340	1.0
120.08090	1.0
126.15195	1.0
133.08618	33.1
135.10069	1.0
144.06581	3.9
157.07664	1.2
175.08549	1.1
177.11232	11.7
188.07115	4.2
189.08644	2.0
203.08206	5.1
205.09673	1.1
217.08199	1.7
221.13838	1.5
316.15009	2.0
415.25284	1.4
459.27673	1.6
502.98544	1.0
503.30673	55.7
520.26001	1.3
520.33484	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	520.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12368	0.3
60.08173	4.6
64.60519	0.3
67.05520	0.3
71.07375	0.5
71.59997	0.3
73.02941	0.3
74.80525	0.3
81.07072	0.4
86.09707	21.6
96.08018	0.3
98.98485	0.4
102.02031	0.3
104.10718	2.2
125.00007	11.4
156.10199	0.6
184.07338	100.0
202.80397	0.3
216.29088	0.3
311.27731	0.3
338.13855	0.6
502.32745	0.7
520.33832	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	520.3397
Annotation	2-linoleoyllysophosphatidylcholine
Peak:m/z	Relative Intensity
57.03464	0.4
58.06623	0.6
60.08172	12.2
64.53086	0.4
67.05505	2.2
71.07378	3.4
74.44129	0.5
74.44549	0.5
79.05524	0.8
81.07068	2.2
86.09708	39.1
88.02162	0.5
93.07057	0.8
95.08614	2.2
104.10746	83.4
115.75583	0.5
124.99998	18.6
163.01645	0.7
169.50807	0.5
184.07341	100.0
202.53528	0.5
206.57578	0.6
289.19901	0.5
337.27206	0.8
502.32886	6.0
520.34021	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	520.348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79035	1.2
55.05505	1.9
66.73685	1.3
67.05499	7.5
69.03423	6.9
69.07068	7.9
71.05045	1.3
79.05483	5.6
81.03426	17.6
81.07062	39.6
83.04969	2.4
83.08617	7.9
85.02905	6.1
91.05495	10.0
93.07038	3.5
95.08610	9.0
97.02876	7.5
97.06551	2.0
99.04468	3.5
99.08090	3.4
105.07030	24.3
107.08602	11.0
109.02874	20.1
109.06521	2.8
109.10147	1.5
119.08590	14.0
121.10126	21.5
123.08096	3.4
123.11710	36.5
127.03908	19.5
127.07549	7.0
133.10146	1.5
137.13277	2.2
145.04924	1.7
147.11685	100.0
149.09624	1.6
157.10130	1.9
161.43918	1.5
165.12746	44.1
165.14081	2.8
165.81544	1.3
175.11198	2.6
183.13892	3.0
188.07838	1.7
193.12244	6.8
211.13271	6.1
229.14343	46.5
273.14813	1.9
279.31113	1.5
319.15421	6.0
337.16397	36.0
355.17554	27.8
373.18570	17.4
520.38098	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	520.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07084	44.4
67.05506	14.5
69.03435	29.2
69.07064	5.0
71.08627	37.7
72.64845	2.8
75.25256	2.9
79.59927	2.6
81.03427	32.4
81.07045	25.5
81.07449	2.8
83.08624	18.0
85.02911	30.6
85.10191	28.5
89.05987	2.7
95.08609	40.3
97.02881	29.5
97.10172	7.0
99.04450	3.5
109.02859	30.3
109.10150	22.6
121.61998	3.1
123.11699	5.5
127.03932	41.6
127.62115	2.9
136.05852	2.8
137.13232	4.5
145.04988	12.6
145.98628	3.6
160.57996	3.2
175.84509	3.3
194.08455	3.4
213.86255	3.1
215.58322	3.3
239.23657	15.1
285.52118	3.3
302.80869	3.0
344.38205	3.2
383.27832	33.4
401.23853	4.4
401.29007	100.0
530.12787	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	521.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72714	1.6
54.16198	2.0
55.05528	18.2
56.45537	1.6
56.57872	1.6
57.07075	10.8
67.05507	11.4
69.07069	28.1
71.08620	3.3
79.05505	4.1
81.07071	33.2
83.08633	21.9
85.06516	2.0
87.52308	2.4
91.05476	5.1
93.07053	4.1
95.08601	3.8
97.10175	12.7
97.59666	2.1
105.07038	12.2
107.08598	3.9
111.11745	2.5
119.08583	10.9
121.10150	10.8
123.11713	16.1
147.11650	23.5
165.12727	4.2
247.27824	2.4
267.15903	19.0
340.62387	2.0
493.15036	2.8
521.38416	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09610	4.6
63.05767	4.1
64.64481	4.6
69.65576	4.9
77.52640	5.8
83.25443	4.6
91.05494	5.9
109.06543	21.6
116.07096	5.6
119.46508	5.6
130.06453	5.6
136.07565	100.0
137.05962	46.3
159.09172	88.5
159.39655	5.2
162.07695	6.4
165.05402	6.5
182.91777	5.7
188.07056	33.6
236.75081	5.8
277.13333	6.4
277.63962	5.4
289.75311	5.5
295.14404	9.6
313.15421	5.7
336.55905	5.3
341.15063	9.5
369.01239	5.9
476.21454	40.0
504.21033	10.6
522.22455	12.2
522.32697	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	522.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07041	0.8
51.64840	0.7
52.20338	0.8
52.75485	0.8
59.91205	0.9
79.05507	1.2
81.07056	8.2
83.08571	1.1
91.05475	4.2
93.07052	1.1
107.04897	1.5
109.06524	20.0
119.04913	7.3
123.04436	1.1
127.07530	1.3
130.06525	3.9
132.08061	7.9
136.07579	100.0
137.05977	41.9
137.07054	1.3
142.86139	1.0
144.08136	1.5
146.05997	10.0
154.89581	1.0
159.09172	79.1
165.05450	4.9
169.07648	1.1
170.06001	2.0
182.08136	1.5
185.07120	4.7
187.08681	1.7
188.07079	25.4
205.09637	2.3
238.61063	1.0
249.14328	1.3
260.10617	1.7
263.49872	1.1
272.12750	8.3
277.13290	7.6
290.13815	9.8
295.14450	13.9
313.15494	11.5
317.92975	1.1
318.13351	5.5
323.13855	4.0
341.14938	7.0
359.16049	1.5
458.20792	1.9
476.21857	45.6
504.21329	19.3
522.22369	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	522.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60973	0.2
53.85993	0.2
55.05513	0.2
63.09752	0.2
67.05505	0.3
81.07060	0.3
85.02908	0.4
97.02901	0.4
109.02798	0.3
109.10158	0.3
113.94922	0.3
117.24628	0.3
126.95359	0.2
127.03850	0.4
137.06042	0.3
150.07748	100.0
159.09161	1.2
162.84459	0.2
287.89182	0.3
508.47571	0.3
522.25586	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	522.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
65.17793	0.9
67.17638	0.9
68.36506	0.9
98.87505	1.1
103.05469	1.9
106.68818	0.9
115.96153	0.9
120.08102	100.0
122.92775	0.9
130.06537	1.5
132.08090	2.3
139.07599	1.4
144.04472	1.2
145.62219	1.1
146.06010	1.6
159.09167	23.3
160.07565	32.8
170.06033	5.1
182.08347	1.4
188.07135	2.3
196.07608	1.8
202.08638	49.1
219.11287	6.5
240.13870	1.1
249.87218	1.0
258.14835	14.9
276.15964	1.6
279.14938	13.4
280.13394	2.4
295.64713	1.0
297.15970	60.5
304.15543	1.5
325.15485	5.1
339.16989	1.8
357.18054	22.7
416.23489	1.2
444.22858	3.8
462.23892	24.0
476.25571	17.6
490.23383	13.6
504.24661	4.8
522.26019	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	522.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24900	0.6
58.39975	0.5
67.05529	0.9
69.07060	0.6
73.18533	0.7
83.08622	3.9
83.56651	0.6
88.26366	0.6
93.07037	1.3
95.08620	0.9
95.55132	0.6
103.05479	8.1
109.10131	0.8
110.09673	3.3
111.08101	3.0
118.06549	1.0
120.08102	68.4
121.06498	50.0
130.06541	5.5
131.04922	21.2
132.08087	7.6
135.08057	4.6
138.09120	5.0
139.07590	2.5
142.06476	1.1
144.08104	1.5
145.72549	0.7
146.05998	9.6
156.10188	7.3
157.06520	1.3
157.08600	0.8
159.09171	100.0
160.07529	3.3
163.07530	15.9
169.07672	1.2
170.05975	7.7
175.09578	1.0
180.10187	29.1
187.08685	4.1
188.07060	30.9
196.07637	1.1
202.08620	3.4
205.09734	3.1
238.85683	0.7
240.13788	2.9
244.11232	1.6
258.14941	6.5
261.13858	1.2
279.14944	11.3
280.13101	0.8
297.15976	32.6
315.16995	9.1
318.16965	12.2
325.15457	3.4
343.16541	5.5
444.22647	4.0
454.70880	0.7
462.23907	17.4
476.25482	26.1
490.23306	12.2
504.24887	15.9
522.26019	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	522.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.5
56.02573	0.5
56.58912	0.5
56.88011	0.4
57.07078	0.6
60.08172	13.0
60.51153	0.5
67.05506	0.8
69.07072	1.0
71.07372	0.9
71.08656	0.6
71.39729	0.5
79.54817	0.5
80.72382	0.7
81.07062	0.5
83.08621	0.8
86.09708	38.4
91.39062	0.5
96.65458	0.5
97.10182	0.8
104.10748	80.7
112.31056	0.5
114.67484	0.5
115.24037	0.5
124.99999	15.7
131.91315	0.6
163.01590	0.9
184.07339	100.0
250.46223	0.6
282.89145	0.7
288.04034	0.6
296.08621	0.6
303.45294	0.6
431.68561	0.6
504.34381	5.6
522.35529	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	522.3553
Annotation	LysoPC(18:1(11Z))
Peak:m/z	Relative Intensity
60.08171	12.1
67.05503	1.2
69.07068	0.8
71.07366	1.0
74.85049	0.5
79.12070	0.6
81.07057	0.8
83.08614	0.8
83.34337	0.5
86.09708	35.6
104.10744	88.5
109.10188	0.6
114.67229	0.6
125.00000	16.5
129.95070	0.5
142.93726	0.5
163.01547	1.0
184.07333	100.0
255.40459	0.6
339.29071	0.9
423.52939	0.6
504.34506	6.4
522.35522	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	523.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89931	6.3
56.26636	6.3
75.67464	7.3
84.08198	7.5
109.39872	8.6
112.08051	7.5
141.14998	8.3
165.26836	9.2
206.23715	7.8
242.57091	9.9
302.35934	8.2
351.95050	8.4
479.14871	9.5
517.52618	8.6
523.14093	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14616	0.8
70.02954	4.6
70.06573	2.3
72.08157	11.9
82.90557	0.9
84.04504	1.7
85.02899	1.3
86.09724	10.2
87.05595	19.4
87.10030	1.9
96.04488	5.3
97.04018	5.3
101.68391	0.9
110.06036	1.6
113.10603	1.0
117.99998	0.9
118.14766	0.8
122.06012	2.3
130.04997	8.1
136.03975	2.1
136.07576	20.0
137.07938	8.2
138.05548	1.2
139.05045	7.0
140.07069	6.0
142.15622	0.9
143.04535	8.9
144.01956	0.9
147.04427	2.0
147.07643	12.2
148.08029	1.5
152.07076	4.0
154.04996	38.4
154.08603	3.7
155.04471	1.0
157.06100	1.2
178.04953	14.1
179.08133	8.4
185.05557	5.8
190.04977	9.7
190.08685	2.0
194.11801	1.7
205.06085	23.1
206.04448	12.8
207.11238	5.8
210.15530	1.1
213.06612	1.2
217.06085	1.8
222.11220	10.8
223.07187	1.2
230.32179	1.1
231.07639	5.2
243.06085	1.6
246.14493	7.8
247.07156	3.4
247.14653	3.2
249.15959	4.0
250.16295	4.9
257.05600	1.3
270.07169	8.7
274.08279	2.0
275.10233	1.2
276.09756	2.1
277.15421	2.1
278.15646	1.7
285.07114	1.1
291.09787	1.3
292.09409	1.9
298.63846	1.0
302.07608	1.0
303.06055	15.7
320.08762	100.0
338.09760	4.6
352.07278	1.9
352.11429	56.2
377.22705	2.0
398.00558	1.1
435.56482	1.0
459.14896	7.9
477.15552	1.8
491.17764	35.6
523.19995	12.6
523.29333	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	523.204
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02956	5.9
70.06599	1.4
84.08173	1.0
87.05598	19.9
87.06092	1.7
96.04488	4.8
97.02920	1.3
97.04028	6.2
100.40053	0.9
100.64442	0.8
106.72562	0.9
110.06048	1.0
122.06033	1.4
128.48843	0.9
136.03931	1.8
136.07602	1.2
137.05954	1.8
138.05547	1.4
139.05043	7.4
140.03444	0.9
140.07028	1.6
143.04510	8.5
152.07092	2.1
154.03723	1.5
154.05000	45.1
154.08609	7.4
157.06050	1.9
178.04947	14.1
179.08148	9.4
185.05603	6.9
190.05013	10.1
190.08609	4.0
195.30777	0.9
205.06104	23.4
206.04506	19.2
207.11317	6.6
210.22697	1.2
213.06509	1.0
217.06027	1.9
223.07137	4.6
229.35023	1.0
231.04025	1.3
231.07675	8.8
247.07100	4.4
247.10733	1.7
248.10451	1.5
257.05502	1.1
274.08218	1.4
275.06769	1.4
275.10269	4.6
284.09174	1.1
289.04416	0.9
292.09470	1.3
293.11148	1.6
303.06131	15.9
320.08771	100.0
327.09845	1.5
329.10840	1.0
338.09720	3.4
352.11371	59.6
359.12231	1.3
427.29736	1.1
459.15060	13.9
474.15143	4.6
477.16147	3.8
491.17767	46.6
523.20093	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	523.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.7
55.01878	1.7
57.07076	0.9
61.02929	0.9
62.05593	0.6
63.91900	0.6
68.99797	1.0
69.03432	16.1
71.04996	2.9
71.08636	1.8
73.02912	1.0
74.82234	0.7
81.03426	19.9
83.08619	0.7
85.02908	60.8
87.00819	7.9
92.21123	1.2
97.02321	1.4
97.02891	20.0
99.04455	28.6
101.34237	0.9
103.03949	24.5
105.01867	6.3
109.02885	46.2
127.03916	100.0
129.01836	6.5
137.05910	0.9
145.04971	14.0
147.02873	1.0
151.03831	0.8
159.03020	2.8
163.06013	3.7
169.04948	1.6
172.75011	0.7
187.05988	3.8
213.03905	6.5
229.07001	1.0
231.04968	11.1
239.23605	1.0
249.06050	1.7
253.07085	1.6
273.06036	3.8
291.07135	10.4
337.06955	0.9
339.07025	1.1
357.08051	4.0
375.09229	22.6
393.10211	3.1
442.22870	0.9
490.37207	0.9
523.12262	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	523.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86256	0.5
53.03957	10.2
55.01878	3.4
55.05517	0.8
57.03440	1.1
57.07075	2.9
59.60941	0.6
61.02914	3.7
61.03191	0.6
64.87291	0.5
68.99792	2.4
69.03429	19.1
69.07047	0.6
71.04982	5.0
71.08630	3.7
73.02915	6.2
74.37920	0.6
81.03419	40.8
83.04990	0.8
83.08620	0.8
85.02905	51.6
87.00824	22.9
91.03974	0.9
97.02888	35.9
97.10130	0.6
99.04453	28.5
103.03949	16.4
104.43081	0.7
105.01865	20.2
106.81612	0.7
109.02877	81.8
117.64094	0.7
120.68052	0.6
127.03912	100.0
129.01839	11.3
134.56747	0.6
145.03847	0.7
145.04962	14.4
147.02859	5.4
147.84929	0.6
153.01834	0.9
155.31508	0.6
159.02872	13.8
163.06041	4.4
169.04913	3.1
177.03973	0.8
187.06029	1.5
192.58286	0.7
194.68010	0.6
213.03937	14.9
231.04996	22.3
249.06039	6.1
273.06131	4.3
291.07053	13.9
307.10046	0.8
349.22321	0.7
357.08026	3.7
375.09171	8.3
391.04779	0.7
393.10229	10.2
403.19565	3.3
487.21420	0.9
505.22525	3.0
523.34351	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	523.3605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88095	1.6
57.33105	1.6
60.79149	1.6
64.25891	1.7
71.08646	2.5
75.96721	1.8
111.31516	1.9
138.25090	1.9
158.73549	2.3
159.94136	1.9
207.45302	1.8
222.77837	1.9
313.27390	2.7
523.36096	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	7.0
57.03441	1.3
57.07087	23.2
61.85707	0.8
67.05515	17.4
69.07085	10.3
71.08628	18.0
79.05485	5.7
80.20364	0.9
81.07066	46.2
83.05003	1.8
83.08627	14.4
85.06571	3.3
85.10189	10.3
91.05472	8.2
93.07030	4.6
95.04980	1.6
95.08617	21.5
97.06529	2.3
97.10188	2.0
99.08083	1.4
102.37362	1.0
105.07041	17.2
107.08595	5.5
109.06509	2.1
109.10148	7.4
119.08576	13.9
121.10162	11.0
123.08079	1.5
123.11714	17.0
128.38457	1.0
147.11690	33.2
165.12756	8.6
239.23717	1.2
267.15860	11.9
458.92242	1.0
460.11615	1.2
523.39954	100.0
537.85565	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	523.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00315	0.5
53.08099	0.3
55.05520	7.4
57.03425	0.5
57.07084	24.4
57.34466	0.4
67.05511	18.6
69.07072	10.4
71.04994	1.1
71.08633	20.2
74.04940	0.4
75.88461	0.5
79.05496	4.6
81.07063	49.0
83.05002	3.2
83.08630	10.6
83.24917	0.4
85.06555	3.1
85.10181	11.0
88.20914	0.4
91.05479	8.9
93.07043	5.1
95.04976	0.7
95.08611	23.0
97.06544	2.1
97.10170	3.9
99.08128	1.0
101.05988	0.6
105.07034	15.2
107.08618	4.3
109.06532	2.2
109.10159	7.3
109.45592	0.4
110.18774	0.5
111.08080	0.7
119.08580	13.8
121.10136	12.2
123.08051	3.1
123.11713	17.7
123.12592	0.9
133.10199	0.5
137.13214	1.6
147.11691	30.3
165.12703	7.5
180.47148	0.5
183.13855	0.5
198.14980	2.3
229.14383	1.1
230.21365	0.5
239.23795	1.7
267.15872	16.0
267.18567	0.7
401.59839	0.5
523.39948	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71674	0.9
61.47367	1.0
65.07072	0.9
83.08617	5.7
91.05464	2.5
111.08067	4.5
119.04920	8.1
123.04425	1.8
130.06529	5.5
132.08090	7.3
136.07579	100.0
139.07521	2.2
146.06007	9.8
159.09174	80.9
160.07549	1.9
165.05501	5.5
166.56653	1.0
170.05983	6.3
187.08653	2.6
188.07068	31.9
205.09732	4.6
237.36182	1.2
256.13287	2.5
260.10611	1.8
269.90417	1.2
274.14362	19.4
279.14877	8.9
292.15463	4.6
297.15970	26.0
315.17007	10.8
320.14859	2.4
343.16470	4.7
360.49463	1.2
460.21954	2.7
478.23392	42.6
506.22894	18.6
524.23877	27.6
524.31110	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	524.239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87781	0.9
64.23553	1.3
68.11134	1.0
74.29922	1.0
79.05473	1.1
81.07020	1.3
81.15429	1.1
83.08611	1.7
85.02890	1.1
93.07046	2.4
95.08580	1.6
97.02961	1.0
103.05492	2.2
103.84319	1.1
107.04971	1.5
107.08614	1.1
120.08105	95.6
130.06508	13.8
135.08075	1.1
148.07649	1.3
157.07603	47.1
158.05991	14.5
159.09221	8.9
166.08681	1.6
175.08617	15.7
185.07069	7.0
186.05499	10.1
203.08151	100.0
204.08466	1.7
221.09212	4.8
232.47125	1.1
240.13928	1.6
258.14890	13.1
276.15994	6.0
277.13358	1.9
294.13449	1.2
297.15851	1.6
304.15607	1.6
323.13385	1.3
341.14899	1.5
359.16086	2.6
444.21857	1.3
460.22162	1.6
462.23688	8.9
478.23288	2.0
488.21738	4.7
506.16068	2.1
506.22852	36.5
524.24091	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	524.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82692	0.7
55.28324	0.6
69.14872	0.7
76.35739	0.8
77.67325	0.7
78.07883	0.8
83.08627	1.4
94.06545	0.9
103.05502	1.5
109.07802	0.7
111.08085	1.5
120.08105	100.0
130.06516	18.9
132.04388	2.8
132.08195	0.9
136.07587	4.9
137.05978	1.7
139.07561	1.2
147.66394	0.9
157.07605	83.5
158.06006	29.3
159.09207	7.2
166.08614	1.1
175.08662	70.2
176.07103	1.3
185.07118	0.9
188.07059	3.7
203.08182	16.1
204.01375	1.0
204.06526	1.2
221.09190	14.9
235.86682	0.8
240.13870	3.3
258.14899	17.0
276.15897	1.8
295.14444	3.9
297.15942	1.1
304.15140	1.0
309.38113	0.8
313.15417	3.0
331.16632	1.2
332.76666	0.9
359.15948	9.2
432.22726	1.0
460.21896	3.6
478.23422	27.7
506.22894	27.1
524.23901	28.9
549.21033	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	524.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25558	0.5
53.79853	0.7
59.21577	0.7
60.56970	0.6
63.61123	0.6
65.34338	0.6
69.07064	0.7
72.36672	0.7
75.53399	0.8
79.64654	0.6
83.08618	4.0
91.75311	0.7
93.07065	1.1
94.06522	0.8
97.00592	0.7
103.05464	3.1
111.08097	1.2
120.08109	100.0
130.06525	15.7
131.04890	0.8
132.04468	3.0
132.08043	1.3
139.07536	1.4
143.86400	0.7
146.06013	0.9
157.07616	48.9
158.06033	20.6
159.09171	10.3
166.08614	1.0
173.50832	0.9
175.08653	29.3
185.07144	6.1
186.05560	7.1
203.08156	54.0
204.06619	0.9
205.09799	0.8
221.09259	7.0
237.62177	0.8
240.13821	3.3
252.12247	0.9
258.14911	15.0
276.15903	3.7
277.13455	1.3
279.14807	1.1
297.15881	3.8
304.15390	3.0
313.15411	0.9
341.14807	1.1
359.15848	4.7
460.22113	4.9
462.23914	9.2
478.23404	9.0
488.21838	1.7
506.22876	27.4
524.23987	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	524.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.7
57.32278	0.7
69.07065	0.8
81.43165	0.8
83.08625	6.1
89.78655	0.7
91.05483	5.2
92.47562	0.7
111.08109	3.0
119.04921	7.1
123.04388	1.6
130.06535	6.0
132.08105	7.9
132.38789	0.7
136.07585	100.0
137.07875	0.8
139.07533	1.6
142.06552	1.2
144.08087	1.2
146.06010	9.4
157.08620	1.1
159.09177	83.1
160.07619	1.0
165.05499	4.6
170.06010	7.9
187.08690	4.8
188.07074	33.0
196.07492	1.0
205.09724	3.8
256.13312	1.7
260.10675	1.3
274.14395	19.5
279.14822	8.0
292.15430	3.2
297.15979	26.7
309.50317	0.8
310.33035	0.8
315.17032	7.9
320.15079	1.1
325.15506	3.3
343.16455	4.5
460.22284	1.4
478.23340	28.7
506.22705	13.6
524.23944	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	524.343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	2.0
57.03445	4.1
57.06826	3.4
57.07085	55.1
57.93398	1.4
65.56556	1.6
67.05508	13.0
69.07069	15.6
71.08637	52.4
75.04474	2.9
81.07068	23.9
83.08627	20.3
84.11853	1.4
85.02865	1.9
85.10184	33.9
95.08612	47.1
97.10169	11.2
99.08105	1.5
102.47807	1.6
109.10155	22.0
112.98178	1.7
113.02393	2.0
123.11703	13.4
125.13297	2.3
137.13322	2.4
141.01857	15.6
239.23744	16.7
286.93936	2.0
313.27347	100.0
331.28424	92.7
384.43533	1.9
471.29251	2.1
489.30399	3.6
547.01953	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	524.3712
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
57.07082	1.7
60.08168	11.6
69.07063	1.0
71.07376	1.3
71.08636	1.9
76.40865	1.0
81.07066	1.8
83.08638	1.6
86.09170	1.3
86.09703	37.7
87.82216	0.9
95.08624	1.8
104.10744	91.7
107.08617	1.4
109.10211	1.6
118.37418	1.1
121.10137	1.1
124.99993	16.2
156.41931	1.1
162.28442	1.0
167.67516	1.2
184.07335	100.0
188.82076	1.2
313.67218	1.1
346.37167	1.2
354.37003	1.2
481.42728	1.4
506.35760	2.4
524.37097	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	524.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62552	0.3
57.07074	0.5
60.08171	3.9
60.36757	0.3
65.61508	0.4
67.05498	0.4
71.07354	0.5
78.30595	0.4
81.07074	0.5
86.09707	22.1
86.40468	0.4
94.02057	0.3
95.08607	0.6
98.98444	0.5
104.10739	2.0
109.10153	0.5
117.68581	0.4
123.15437	0.3
125.00008	9.4
133.64227	0.3
138.68631	0.4
184.07336	100.0
506.35730	2.1
524.37177	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	524.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	8.6
57.03451	9.6
57.07089	1.4
59.05007	1.6
63.80139	1.1
65.03948	1.4
65.59511	1.2
67.05512	85.8
69.07063	5.4
71.04971	2.3
75.14931	1.1
79.05502	15.9
81.07063	32.6
83.08637	9.7
85.06544	2.4
91.05457	10.8
93.07052	25.8
95.08610	29.9
97.06543	2.1
97.10134	1.5
104.77552	1.2
105.07046	5.8
107.08608	13.8
109.10159	100.0
111.08107	2.8
119.08581	9.2
121.10129	11.2
123.11728	2.1
131.08588	2.9
133.10156	5.1
135.11702	9.7
137.09624	1.8
145.10124	2.5
147.11662	2.2
149.13246	2.3
155.10675	8.1
159.11673	2.2
161.13261	4.9
161.28052	1.3
173.11784	14.3
173.13205	2.0
175.14836	1.4
195.67792	1.2
227.12801	1.4
229.14348	51.2
261.22156	10.5
335.21796	1.8
335.25778	41.2
347.87247	1.3
416.55417	1.2
439.05182	1.3
489.35776	66.8
507.36801	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	525.363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34524	3.7
55.05519	8.7
57.07085	7.5
59.01096	3.8
60.29296	3.8
67.05500	21.2
69.03442	5.5
69.07068	26.7
73.02943	4.5
79.05495	8.9
81.07064	100.0
83.08628	24.5
85.02925	18.4
85.06531	33.6
87.04467	4.0
93.07044	31.9
95.08614	84.9
97.10156	10.1
99.08094	22.1
105.07027	10.7
107.08575	42.9
109.10168	57.7
111.11726	7.9
113.09667	5.4
119.08580	5.2
120.08089	4.7
121.10139	29.9
123.11707	46.3
125.09621	5.3
133.10173	6.5
133.89211	4.7
135.11729	32.9
137.13281	29.1
139.11201	5.0
147.11719	8.3
149.13251	30.3
153.12695	4.5
163.14807	17.0
177.05508	8.5
213.18474	7.6
247.72552	5.3
271.01016	5.2
291.26923	23.1
297.28015	10.6
309.27966	48.2
327.28824	38.0
345.30075	43.7
367.83905	6.0
439.91739	5.1
542.60657	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	525.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76031	3.9
54.71988	3.8
55.05520	7.3
58.48069	3.2
67.05508	16.9
68.72025	4.3
69.03409	4.7
69.07072	37.0
79.05476	4.5
81.07060	100.0
81.77210	3.9
83.08604	19.4
85.02890	20.1
85.06535	55.2
87.36761	4.0
91.16882	3.9
93.07037	24.3
95.08609	93.8
97.10171	6.6
99.08085	35.4
107.08596	38.9
109.10155	56.5
111.08071	7.1
111.11722	10.0
113.09682	4.5
114.36810	4.0
119.08570	4.3
121.10100	29.6
123.11702	38.5
127.03902	4.6
133.10217	4.2
135.11699	24.0
137.13269	27.2
149.13280	44.8
163.14793	18.7
176.46338	4.4
177.16408	30.9
195.17293	4.7
213.18449	72.0
290.87976	4.3
291.26843	16.2
297.27899	20.0
309.27814	62.8
327.28897	81.7
329.05264	5.3
337.01743	4.4
391.54269	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	525.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28633	2.5
55.05520	6.7
57.07087	4.8
61.02891	2.6
67.05515	17.6
69.03419	3.1
69.07065	32.8
71.04990	3.9
71.08604	3.1
79.05511	4.7
80.41092	2.6
81.07058	63.3
83.08624	28.8
85.02892	12.6
85.06544	20.4
85.49339	2.8
86.09729	2.7
93.07055	38.2
95.08613	100.0
97.02910	3.0
97.06509	25.7
97.10168	12.4
99.08125	4.1
105.07030	15.2
107.08602	51.5
109.02828	2.5
109.10168	40.5
111.08089	26.5
111.11763	6.6
119.08574	10.5
121.10138	34.4
123.11703	42.5
125.09598	3.7
127.03952	4.3
128.77548	2.9
133.10139	3.9
135.11655	19.7
137.13242	19.4
147.11697	13.8
149.13245	56.2
161.13187	3.1
163.14787	10.5
165.16295	3.6
167.14304	12.1
175.99525	2.6
191.17894	3.2
195.17407	3.3
239.23663	6.3
278.95898	3.2
279.26871	13.5
291.26813	48.8
297.27954	5.6
309.27863	70.4
327.28915	53.0
345.29999	12.0
453.31955	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	525.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57106	0.9
51.27717	1.0
51.66021	1.2
53.67529	1.0
54.42865	1.0
55.05518	2.1
57.07064	2.1
57.40951	1.2
67.05500	8.2
69.03445	1.4
69.07069	13.2
76.62808	1.4
79.05482	2.4
79.25753	1.1
81.07062	100.0
83.08614	2.3
85.02902	8.3
85.06534	7.6
93.07062	12.2
95.08606	39.2
97.02904	1.9
97.06503	1.7
97.10162	2.6
99.08105	2.3
102.97189	1.2
105.06989	2.1
107.08609	9.9
109.10152	13.0
111.08081	11.4
111.11710	9.4
121.10158	9.3
123.11705	7.0
127.03934	1.2
127.11204	1.8
133.10178	1.5
134.19467	1.3
135.11697	5.2
137.13254	49.4
147.11711	2.1
149.13272	14.9
155.14284	18.1
161.13264	1.4
163.14835	5.4
173.15356	25.9
177.16463	1.3
201.27185	1.4
271.25821	1.2
291.26813	8.3
309.27908	9.2
317.19830	1.4
327.28909	9.0
335.20636	2.0
345.29745	9.0
380.35388	1.5
415.61960	1.3
435.82294	1.3
525.19568	1.9
525.30054	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	526.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37493	0.5
54.32486	0.4
65.62743	0.4
67.61618	0.4
70.06589	3.4
72.08138	0.8
74.63110	0.5
84.08131	1.1
86.09695	2.6
92.21210	0.8
93.01522	0.5
99.04449	0.5
120.08086	0.9
120.68398	0.6
123.11675	0.6
129.10228	2.7
173.12851	0.9
206.48401	0.5
211.14494	0.6
281.09277	2.0
294.07596	2.2
299.40063	0.5
308.06094	1.0
308.09149	30.2
320.09103	12.2
322.07089	58.5
323.07889	20.8
323.10791	0.6
325.08084	0.9
336.04520	1.2
336.08661	37.6
337.09430	100.0
338.10223	94.3
385.10168	2.9
526.14178	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	526.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06590	2.0
70.08442	0.5
84.08151	0.8
85.02899	0.6
86.09700	0.8
97.02979	0.5
100.60817	0.4
119.50969	0.4
122.06033	0.7
140.07051	2.6
149.09656	0.5
204.06575	3.3
206.07948	0.6
251.11649	0.7
265.09683	3.2
266.10449	0.8
267.11234	2.3
279.11304	3.1
293.09174	4.9
294.07526	0.8
295.10864	2.1
297.12515	1.9
307.10818	1.9
308.09116	14.3
308.12329	0.7
309.12463	0.7
311.10126	0.7
312.10818	0.9
313.11929	1.1
320.09152	6.6
322.07077	27.6
322.10867	1.1
323.07846	27.3
325.11734	5.6
326.12445	0.7
335.10193	3.5
336.08624	15.7
336.12491	0.8
337.05234	0.9
337.09424	43.0
338.10211	100.0
345.14398	2.0
353.11389	4.7
357.14261	0.7
385.13846	0.9
466.19583	1.1
494.19232	7.7
508.21167	0.9
526.14575	9.1
526.21619	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	526.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00789	0.5
61.97670	0.6
63.07499	0.6
63.15527	0.5
68.42857	0.6
69.07079	1.3
70.06607	0.7
81.07053	2.5
84.08141	0.7
91.22971	0.7
92.21368	0.6
94.06573	2.5
95.08615	1.2
99.08112	0.6
103.29417	0.6
107.88734	0.7
109.10205	0.8
110.09704	0.7
122.06004	6.7
124.07590	4.5
135.11650	1.1
136.07639	0.9
138.05479	0.7
138.09175	0.9
140.07085	17.1
146.06007	3.7
148.07611	1.3
152.07042	1.0
163.11078	0.8
166.08614	3.2
167.34807	0.5
172.03958	5.7
174.05484	6.1
185.24402	0.7
190.04962	8.8
192.10342	0.7
204.06572	13.6
206.08089	1.5
225.10139	0.9
234.98943	1.2
237.10222	0.9
244.09834	0.7
251.11787	12.8
252.08931	0.7
253.09624	2.2
255.11322	1.3
261.12305	1.3
263.11639	0.8
265.09695	15.7
266.10483	1.3
267.11230	10.7
278.06564	3.5
279.08102	1.0
279.11246	27.5
280.12112	3.2
281.09186	0.7
281.12845	2.3
283.10599	4.5
284.11597	0.9
285.12314	2.8
287.13788	0.7
291.11298	0.8
293.09186	26.2
294.10019	3.2
295.10788	24.0
297.12369	13.6
307.10767	12.2
309.12369	7.7
311.10236	4.1
312.11063	4.6
313.08350	1.0
313.11816	18.0
323.05511	0.7
324.11111	2.6
325.11810	57.4
326.12534	1.3
327.13455	1.4
335.10254	30.2
336.11404	0.7
337.12152	0.7
345.14322	2.3
353.11316	59.4
354.11975	2.7
355.13083	1.1
357.14462	1.1
369.14453	0.7
371.12317	1.4
385.13971	15.7
450.20078	1.3
466.20035	1.0
476.17972	1.0
494.19205	100.0
508.20285	0.9
512.20221	2.8
522.24780	0.7
526.22119	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	526.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.7
61.45889	0.5
61.85987	0.5
67.60491	0.5
69.03432	3.1
69.07064	1.1
70.06568	0.6
72.02869	0.6
81.03412	1.0
85.02914	9.9
87.00323	1.3
87.00836	26.9
87.04472	2.6
90.82571	0.6
91.05524	0.7
97.02898	100.0
99.04441	0.6
105.01875	16.7
109.02864	1.0
113.38580	0.6
115.03942	3.7
127.03925	3.6
145.04909	1.4
201.03955	32.5
209.31627	0.6
217.41869	0.6
219.04979	15.7
231.05092	0.8
236.07642	2.6
237.14191	0.6
254.68398	0.7
271.50952	0.6
311.14716	0.7
345.08127	6.7
363.09219	7.7
526.21838	1.1
552.05792	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	526.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	5.0
55.43830	2.1
57.03437	5.5
61.02937	3.2
67.10535	2.3
68.17533	2.2
69.03437	55.1
69.07056	4.7
70.08154	2.6
71.04984	3.1
73.02950	4.5
81.03415	24.2
83.05000	5.1
83.08572	3.2
85.02905	96.5
87.00834	38.0
87.04451	10.4
93.07039	3.6
95.08611	6.2
97.02893	100.0
99.04453	14.3
105.01870	74.8
108.72466	2.3
109.02877	29.6
109.42673	2.3
111.04420	5.1
115.03928	21.5
117.01837	2.7
127.03912	83.3
129.01884	3.0
133.04985	5.6
136.71252	2.6
145.04953	26.8
148.79889	2.8
150.07655	3.1
157.03319	2.5
159.02887	16.3
164.10732	2.7
177.05521	2.7
192.10217	5.2
201.03915	3.2
213.03903	11.2
223.06068	3.7
231.05014	11.9
249.06012	21.3
261.06018	2.9
287.92377	3.0
301.09143	3.2
311.10156	12.3
327.07047	12.4
345.08160	29.7
353.11252	6.1
363.09113	13.7
371.12204	16.3
385.13794	3.4
526.21820	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	526.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	7.4
55.05462	1.1
56.04683	1.1
60.58081	1.1
61.02946	1.3
65.93092	1.1
69.03432	16.7
70.35634	1.2
71.04977	2.3
73.02919	5.4
77.75768	1.1
81.03422	35.0
85.02914	48.6
87.00829	18.7
89.35717	1.1
97.02898	33.4
99.04462	22.8
103.03950	12.2
105.01866	22.9
109.02885	77.1
117.01865	1.5
127.03918	100.0
129.01839	7.9
145.04993	13.1
146.40300	1.3
147.02907	5.0
157.30003	1.4
159.02899	14.1
163.06026	6.1
166.75719	1.3
169.04980	1.9
176.22580	1.2
197.13225	1.8
213.03961	16.2
231.05016	23.1
249.06029	7.0
253.06956	2.1
273.06171	3.1
291.07114	9.2
357.08163	2.7
375.09341	11.6
389.17697	1.4
393.05685	2.3
393.10336	42.2
491.21140	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	526.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	10.6
55.01875	2.9
55.05525	0.6
57.03442	2.3
57.07070	0.6
61.02933	1.2
68.99806	0.9
69.03433	17.7
69.07107	0.6
71.04990	4.3
73.02923	4.3
81.03429	32.7
83.04971	0.6
83.35819	0.6
85.02910	52.0
87.00831	18.2
91.03975	0.8
97.02896	38.0
99.04458	27.5
103.03947	12.3
105.01872	27.8
109.02884	89.5
127.03918	100.0
127.57352	0.6
129.01833	7.6
137.42635	0.5
143.90056	0.6
145.04974	16.8
147.02875	5.5
153.01758	0.7
158.04381	0.5
159.02882	17.4
161.89900	0.6
163.05969	4.8
167.78218	0.6
169.04956	1.0
170.92606	0.6
187.06020	1.3
187.28085	0.5
197.13208	0.6
213.03961	16.8
231.04993	27.7
243.17430	0.6
249.06055	9.6
253.07135	1.2
271.08395	0.7
273.06100	2.9
291.07086	7.4
357.08127	4.8
375.09225	11.8
389.17966	1.2
393.10260	34.5
408.19235	0.8
452.18063	0.7
473.20355	1.1
491.21240	10.1
526.21667	3.1
539.72614	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	526.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09388	2.3
55.05515	4.6
57.03432	11.8
67.05505	4.0
69.03440	58.5
69.07082	6.1
72.08194	2.6
73.02929	3.5
79.05474	3.9
81.03433	27.6
83.04964	3.2
85.02910	100.0
87.00843	40.4
87.04490	29.0
92.21493	3.7
97.02896	75.5
99.04459	16.0
105.01871	62.6
109.02904	26.6
111.04418	5.5
115.03935	32.0
119.56607	3.0
122.28177	2.6
127.03927	65.8
133.04976	13.0
139.03912	4.4
145.04967	27.5
150.07631	12.5
152.98495	2.9
159.02879	14.7
161.37456	2.9
176.22935	3.1
177.05432	3.7
188.57291	2.7
189.03993	3.0
193.12309	11.1
201.03790	3.0
213.04080	4.8
231.05019	27.2
232.55914	3.6
238.66472	3.4
241.07025	3.5
249.06044	40.6
293.21194	5.0
327.07071	6.6
345.08051	30.1
347.12195	5.9
359.51804	3.2
363.09073	5.2
490.76385	3.7
526.27551	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	526.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64442	0.7
53.03957	10.2
55.01870	3.9
55.33231	0.6
57.03436	1.8
57.25877	0.7
58.06593	0.7
59.54328	0.8
61.02926	1.6
64.96434	0.8
66.23351	0.7
68.15868	0.7
68.99773	1.3
69.03427	15.3
69.07030	0.7
71.04990	4.3
73.02915	7.5
81.03420	37.7
85.02905	50.4
87.00819	22.8
97.02892	43.5
97.03484	1.2
99.04452	29.2
103.03931	14.7
105.01868	27.9
109.02878	90.9
109.10163	0.8
117.01760	1.0
127.03909	100.0
129.01826	9.9
139.24974	0.8
145.04961	18.4
147.02864	6.0
159.02884	20.6
163.06003	6.0
169.04930	1.8
179.63542	0.7
182.74344	0.8
187.06032	1.6
195.02539	0.8
213.03922	18.0
231.04991	31.3
234.92091	0.8
249.06079	9.1
253.07115	1.5
273.06033	2.0
283.00806	0.9
291.07120	6.6
302.58789	0.8
357.08081	5.7
364.28293	1.0
375.09158	11.3
389.18143	1.0
393.10202	31.8
473.19315	1.1
491.21060	8.1
492.09222	1.0
494.19202	1.1
526.21503	6.8
526.30920	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	526.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	5.0
55.43830	2.1
57.03437	5.5
61.02937	3.2
67.10535	2.3
68.17533	2.2
69.03437	55.1
69.07056	4.7
70.08154	2.6
71.04984	3.1
73.02950	4.5
81.03415	24.2
83.05000	5.1
83.08572	3.2
85.02905	96.5
87.00834	38.0
87.04451	10.4
93.07039	3.6
95.08611	6.2
97.02893	100.0
99.04453	14.3
105.01870	74.8
108.72466	2.3
109.02877	29.6
109.42673	2.3
111.04420	5.1
115.03928	21.5
117.01837	2.7
127.03912	83.3
129.01884	3.0
133.04985	5.6
136.71252	2.6
145.04953	26.8
148.79889	2.8
150.07655	3.1
157.03319	2.5
159.02887	16.3
164.10732	2.7
177.05521	2.7
192.10217	5.2
201.03915	3.2
213.03903	11.2
223.06068	3.7
231.05014	11.9
249.06012	21.3
261.06018	2.9
287.92377	3.0
301.09143	3.2
311.10156	12.3
327.07047	12.4
345.08160	29.7
353.11252	6.1
363.09113	13.7
371.12204	16.3
385.13794	3.4
526.21820	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	526.277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	4.3
57.03442	4.0
57.46483	0.9
62.06092	9.2
67.05500	6.0
68.68561	0.9
69.03430	2.1
69.07068	3.9
70.37947	1.1
71.08639	9.3
73.34209	0.9
79.05482	4.0
81.03419	19.8
81.07075	7.6
83.04964	4.2
83.08624	16.1
85.02897	8.7
85.06533	1.0
91.05468	4.4
93.07034	8.3
95.04953	10.9
95.08595	1.4
97.06548	1.2
97.10165	6.6
97.31080	1.0
98.98456	18.1
99.08080	8.3
105.07015	4.4
107.04977	1.6
107.08581	6.6
109.06520	1.4
109.10146	5.4
111.04429	1.7
111.08089	6.5
119.08581	5.0
121.10141	5.1
123.08091	1.7
123.11746	1.5
125.09651	9.0
131.08585	2.3
133.10100	4.4
135.11765	1.9
142.93726	1.2
145.10162	1.9
147.11722	6.0
149.09618	4.8
153.09138	4.6
155.01022	11.9
157.10126	6.0
159.11633	1.3
163.11191	6.3
165.12744	2.1
169.10062	1.0
171.10121	1.2
173.02129	5.8
175.11189	7.9
177.12711	1.4
184.63211	1.1
189.11208	1.4
193.12222	37.5
195.13734	1.7
211.06128	1.0
211.13301	13.6
223.13350	1.6
226.20921	1.2
236.16458	4.2
243.19658	1.7
247.20474	1.4
254.17439	2.0
267.15912	10.8
275.20117	9.5
285.16895	7.5
293.21091	39.7
293.24121	2.0
302.43292	1.2
347.12512	26.0
349.23682	1.2
365.13586	3.6
367.24719	9.5
385.25760	15.7
390.16599	1.3
408.17877	8.3
426.18768	5.3
429.20380	16.4
447.21182	14.6
459.35867	1.1
465.22485	1.4
483.23749	1.8
490.25690	2.2
508.26776	18.5
526.27698	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24088	0.5
70.95788	0.6
71.82145	0.6
73.54567	0.5
81.07095	0.9
83.05014	0.7
91.05471	1.2
93.07054	1.3
97.02903	4.2
100.27964	0.6
110.85294	0.6
110.95363	0.6
119.04949	3.2
131.08566	0.8
135.11702	0.7
146.28140	0.7
147.04410	30.2
156.95181	0.6
159.08090	0.7
171.93861	0.7
221.83029	0.7
250.38281	0.8
261.07559	1.2
347.25638	3.8
365.26480	0.9
478.69226	0.8
497.30859	1.2
527.31940	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44786	0.4
55.63733	0.5
57.74552	0.4
97.02869	0.8
108.21214	0.6
133.41284	0.5
202.08812	0.5
253.59302	0.5
276.06277	0.5
278.11948	0.5
290.08124	11.9
302.08121	3.3
304.05988	12.1
318.07596	15.8
319.08383	58.0
334.10718	100.0
528.16498	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	528.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73726	0.5
52.65346	0.4
98.31188	0.5
139.32765	0.6
154.12267	2.5
171.14848	2.0
256.83987	0.5
290.08084	11.3
302.08127	3.2
304.05994	9.7
318.07568	12.3
319.05173	0.9
319.08371	53.7
334.10703	100.0
384.37796	0.6
524.75220	0.6
528.16522	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	528.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03975	1.7
53.93393	1.3
55.01865	2.3
55.48471	1.6
57.03449	3.6
60.86882	1.3
61.02933	1.7
62.35153	1.4
69.03429	30.2
71.04985	3.6
73.02921	3.4
81.03431	19.8
83.05011	1.8
85.02904	100.0
87.00822	33.6
91.03903	2.1
97.02892	81.1
98.15815	1.5
99.04457	15.6
103.03949	7.0
105.01870	47.4
109.02873	39.5
111.04460	2.0
115.03922	8.3
117.01797	1.5
120.79638	1.5
123.96324	1.5
125.02300	2.2
127.02988	3.4
127.03912	90.6
129.01834	2.4
130.88280	1.6
137.33351	1.5
145.04958	23.1
147.02823	2.6
159.02872	16.7
169.04990	2.3
187.05994	2.6
189.03961	7.2
213.03917	18.7
223.06082	2.6
231.04982	22.2
241.07080	2.7
249.06055	14.0
273.06049	10.9
308.81409	2.0
327.07074	12.9
345.07834	8.5
363.09149	6.4
381.10257	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	528.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90725	1.1
53.03951	1.3
55.01865	1.6
57.03438	9.9
61.02927	2.5
62.19485	1.2
65.07698	1.4
69.03436	69.8
71.04975	1.9
73.02927	6.0
75.04500	1.5
76.75956	1.4
81.03426	20.9
83.04993	6.2
85.02907	100.0
86.85394	1.3
87.00835	48.6
87.04478	21.1
97.02893	99.0
99.04474	14.3
105.01339	1.8
105.01866	70.3
109.02881	28.2
111.04430	7.9
115.03915	28.8
127.03912	73.0
128.88989	1.3
129.01823	3.4
129.05479	2.9
133.04951	16.0
135.95944	1.4
139.03879	2.4
145.04965	18.7
150.07658	9.1
154.12189	2.0
159.02884	9.6
168.98276	1.8
177.05469	2.4
182.15387	2.4
201.03967	11.9
213.03908	3.1
215.05486	2.9
219.04942	7.2
231.04959	29.0
241.07066	6.7
249.06030	14.8
253.29333	1.5
294.30118	1.6
319.08301	3.1
327.07132	5.9
334.10709	6.4
341.24432	2.8
343.17801	1.7
345.08148	26.7
361.18509	9.2
363.09183	10.0
381.09979	2.1
420.87134	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	528.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.5
57.03457	0.5
69.03445	3.1
70.01497	0.4
81.03426	0.4
81.06483	0.4
81.07027	0.4
85.02905	9.1
87.00835	27.3
87.04464	3.3
97.02899	100.0
105.01876	17.6
109.02888	0.7
111.11705	0.5
115.03925	3.7
118.08685	0.4
125.10741	1.7
126.09157	11.2
127.03921	1.8
128.80896	0.4
133.04958	0.4
143.11835	4.6
145.05000	1.6
154.12292	2.3
171.14925	0.7
201.03946	34.0
219.05013	15.0
225.17877	0.4
236.07660	0.6
244.49933	0.4
278.05777	0.6
309.58606	0.5
313.21255	3.3
319.08698	0.5
323.23056	0.4
341.24374	2.9
345.08154	7.8
363.09213	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	528.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	3.2
55.01872	4.6
57.03443	4.7
61.14623	1.8
69.03433	29.0
69.07066	4.3
71.04977	2.0
73.02903	12.1
75.36488	1.8
81.03423	24.4
85.02908	100.0
87.00830	34.6
87.04440	3.7
89.06047	2.4
91.03944	2.3
92.21345	2.2
97.02894	77.0
99.04451	16.7
105.01874	54.2
107.60325	2.4
109.02880	39.3
111.11702	9.2
113.03961	2.3
115.03923	10.1
127.03918	89.5
129.12764	11.6
145.04958	30.0
159.02913	21.6
170.80791	2.3
171.11716	2.5
181.04942	3.8
189.03972	4.2
199.14825	4.4
213.03946	2.8
213.52084	2.7
223.05957	11.6
227.17853	3.7
231.04958	25.9
241.06963	4.6
249.06075	14.2
273.06036	10.3
327.07260	3.7
345.08163	11.2
363.09113	24.6
368.46271	2.6
528.17731	3.5
528.32971	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	528.293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	5.5
57.03452	6.3
57.07074	3.7
62.06096	18.7
67.05504	20.5
70.50809	3.5
71.08628	22.2
79.05499	4.9
81.07062	30.1
83.08644	4.0
84.53182	3.5
92.21643	3.4
93.07040	18.2
95.08617	9.3
96.02385	3.6
96.08177	5.6
98.98495	5.0
99.08098	14.0
105.07001	5.6
107.08598	18.4
108.28062	4.0
110.31142	3.3
111.08054	6.5
114.09176	29.3
117.68974	3.5
118.18310	4.0
121.10128	7.5
133.10114	5.3
135.11700	8.0
149.13252	19.3
155.01050	7.2
178.95949	3.3
179.14365	4.9
195.13757	4.6
209.16397	6.3
220.16945	5.6
238.18069	7.9
269.17422	28.6
277.21680	7.1
320.25815	5.3
334.10703	5.7
347.22992	4.3
349.14023	9.4
351.25378	27.3
374.17270	17.4
392.18350	100.0
410.19357	25.0
431.21634	28.8
439.34924	4.9
449.23004	7.0
474.26083	28.0
492.27197	48.2
510.28009	24.0
528.73285	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	528.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45537	1.5
53.03949	2.5
55.05512	7.7
57.03431	9.5
57.07076	13.3
57.50997	1.6
59.05009	2.6
61.02934	3.4
64.03217	1.7
68.73777	1.5
68.91110	1.6
69.03442	14.7
69.07075	53.5
69.38297	1.8
71.04991	3.5
71.08628	12.9
73.02920	26.2
73.06558	10.6
77.16845	1.8
81.03414	10.5
81.74364	1.6
85.02904	44.7
85.10187	3.7
87.00811	4.1
89.06028	28.1
97.02898	32.0
98.03256	1.6
99.04453	7.2
103.03970	2.7
105.01875	7.8
109.02870	11.8
111.11722	100.0
115.03922	9.5
119.04951	2.8
124.82034	1.7
127.03923	27.3
129.12756	86.0
133.04948	8.1
145.04980	12.1
147.04456	7.1
148.04762	3.8
199.16959	20.4
206.07521	1.9
209.84544	1.9
213.03798	1.8
213.93217	2.0
217.17989	61.5
217.19983	3.4
231.05072	3.1
249.05864	2.1
356.71393	2.0
395.10721	3.6
523.99481	1.9
528.30609	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	528.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85773	0.6
56.05040	1.7
56.23076	0.7
58.09542	0.7
58.21227	0.8
58.21774	0.7
64.28336	0.7
67.04758	0.7
67.05521	1.5
71.65446	0.7
85.02895	1.0
87.00841	2.8
97.02907	11.5
97.10185	1.1
97.25020	0.7
109.10168	6.4
125.09631	1.9
131.08508	0.7
135.08165	0.9
137.09651	1.1
138.40590	0.8
145.69707	0.9
153.13927	3.5
154.12271	100.0
160.03348	0.8
168.13805	10.6
170.11769	3.2
171.14932	48.5
173.11766	1.1
185.16495	3.5
201.03967	4.7
217.68391	0.8
263.65543	0.8
305.22290	4.7
306.20615	4.1
323.23279	6.6
341.24359	54.2
355.25827	1.2
363.09167	1.1
510.42441	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	529.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46997	1.3
60.69716	1.4
69.44460	1.2
70.06590	8.4
72.08158	6.6
74.25481	1.3
84.08143	7.9
84.12267	1.4
86.09710	14.9
94.46311	1.5
116.07090	1.5
120.08117	2.0
129.10269	3.5
148.71802	1.6
219.01859	3.8
237.02875	3.8
271.07596	1.6
275.04367	1.8
293.05478	3.8
317.05450	6.3
335.06546	9.5
425.39127	1.8
472.76297	1.9
485.17307	2.9
512.51599	1.8
529.16864	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07076	6.9
70.06593	5.0
72.08164	13.8
80.37552	0.9
84.08141	3.7
85.73407	0.8
86.09709	100.0
90.05541	4.4
91.05485	1.8
103.05497	3.5
105.07036	1.2
113.10777	23.8
118.06512	1.4
120.08107	84.7
125.10773	1.6
129.10252	3.8
141.10222	28.4
146.05994	5.5
148.07585	9.4
153.10231	1.0
160.43771	0.8
178.08708	1.4
186.12796	3.2
188.14342	13.2
208.09697	1.4
214.12315	6.4
225.77568	0.8
232.15790	1.3
233.16440	7.7
235.10757	5.3
242.11780	3.3
259.14395	6.6
265.15506	1.4
270.11603	0.9
282.11380	1.3
342.92825	1.0
348.19165	62.7
440.21692	3.4
529.26501	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	529.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	4.2
67.05515	43.0
69.07066	6.0
79.05493	22.7
81.07063	56.1
83.08630	4.2
85.02959	5.5
91.05482	15.6
93.07054	43.7
95.08610	58.8
97.10242	4.1
98.23705	3.2
105.07046	17.9
107.08601	32.1
107.13463	3.3
109.10152	34.6
117.06997	13.2
119.08596	16.5
121.10143	35.8
123.11729	19.5
131.08562	16.8
133.10159	14.9
135.11723	42.0
137.13359	3.8
141.01883	14.2
145.10135	7.1
147.11714	7.3
149.13280	22.2
159.11664	7.4
161.09715	3.8
161.13271	6.1
161.85156	4.9
163.14767	5.7
164.90128	3.5
173.13274	13.3
175.14941	4.2
177.16348	3.5
187.14810	5.6
243.20952	14.4
261.22174	51.8
274.95419	4.0
293.88687	3.8
296.50165	3.6
303.23001	3.8
353.26813	100.0
373.23764	4.4
384.30231	3.6
408.28778	3.6
413.33286	3.3
446.65323	4.1
511.29074	7.9
529.29858	4.2
529.41663	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	529.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	4.4
57.03440	4.7
57.07091	2.7
57.51155	1.9
58.19249	1.7
67.05181	3.1
67.05509	55.5
69.07066	15.9
69.32396	1.9
71.01369	2.5
71.04989	1.9
71.08646	2.4
79.05499	17.1
81.03430	2.7
81.07065	66.6
83.08628	5.5
85.02901	11.1
85.11044	2.0
91.05494	11.6
92.43272	1.9
93.07038	33.8
95.01302	3.1
95.08613	49.2
97.10181	4.4
102.75027	2.2
105.07013	12.3
107.08599	28.1
109.06556	3.3
109.10175	33.1
113.02408	2.4
117.07022	4.9
119.08595	17.3
121.10140	36.4
123.11712	21.5
131.08607	15.9
133.10139	12.5
135.11699	28.6
137.13271	4.0
141.01848	12.7
145.10153	18.5
147.11670	11.8
149.13231	17.4
157.10243	2.2
159.11681	11.2
160.48729	2.2
161.13225	10.1
163.14819	11.1
173.13217	15.3
186.68881	2.4
187.14838	10.4
211.06679	2.0
242.74390	2.3
243.21103	14.9
248.14084	2.3
261.22110	56.6
279.23135	2.5
288.66092	2.4
323.34177	2.8
335.25812	16.4
343.49899	2.6
353.26852	100.0
407.08582	2.3
419.24164	3.2
475.26953	3.7
511.28943	12.7
529.29822	5.0
553.70673	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	529.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
55.05513	1.2
56.05027	3.3
57.03436	0.8
60.59265	0.6
60.74702	0.6
67.05518	5.2
69.03406	0.9
69.07070	3.6
71.04985	2.9
72.04508	0.9
73.06557	1.5
73.37728	0.7
74.06079	1.4
76.05127	0.7
79.05502	6.7
80.05020	0.9
81.03429	2.9
81.07053	5.4
83.04922	1.1
83.08607	0.7
91.05495	3.6
92.21493	0.9
93.07049	5.0
95.04967	4.3
95.08611	3.4
97.06556	7.0
102.05547	1.2
105.07038	3.9
107.04971	3.2
107.08607	1.8
109.06535	2.9
109.10170	3.3
110.07198	1.0
111.08070	1.5
116.08203	2.9
117.07048	1.2
119.08555	1.8
120.06582	0.9
121.06510	4.1
121.10187	1.3
122.07120	1.0
123.07990	1.7
124.08722	3.1
125.09628	1.6
129.07037	1.1
131.08519	0.9
133.10109	2.9
135.08080	3.6
136.05083	1.1
136.07616	0.9
137.09604	2.8
139.07547	3.1
140.08173	0.9
145.10114	1.7
147.08034	1.0
147.11655	1.3
149.09663	1.5
157.10165	3.2
159.08061	1.1
159.11591	0.9
171.11760	1.3
173.09628	1.0
175.11217	2.8
175.17249	0.7
177.09924	1.3
189.12755	1.1
204.11378	1.1
217.12224	0.9
220.13373	4.2
222.12508	1.2
236.13925	1.1
252.16116	4.7
262.15533	1.2
267.15948	1.5
294.18237	2.7
319.54132	1.0
321.20691	0.8
322.21378	1.3
338.13495	0.8
353.23038	0.8
396.24826	6.3
497.29678	14.3
529.32336	100.0
557.86969	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	529.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64401	0.4
64.77940	0.4
74.88909	0.4
75.73462	0.4
81.07082	0.4
85.02888	0.6
87.00833	0.9
97.02898	2.8
98.03215	0.5
107.08602	0.6
109.10145	0.6
114.09199	0.9
115.03915	2.3
116.04321	0.4
130.74840	0.5
131.18063	0.4
133.10176	0.5
137.09644	0.5
139.97330	0.4
152.75404	0.4
155.00546	0.4
177.05534	0.6
201.03984	0.9
202.04320	0.5
203.05370	0.8
219.04976	2.1
220.05446	0.7
223.16861	0.6
320.08618	0.5
334.10974	0.5
335.10873	0.6
485.17319	0.6
513.16675	0.6
529.33508	100.0
533.86658	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	529.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19324	3.5
54.21525	3.9
56.93636	3.4
60.37917	3.3
67.05488	6.3
69.07063	3.3
79.05498	5.3
81.07046	17.2
83.04318	3.4
83.04975	6.6
91.05476	5.1
93.07034	32.3
95.05003	4.0
95.08593	32.4
97.10215	4.0
105.07018	17.3
107.08585	31.8
109.10147	10.0
111.08075	6.4
119.04974	6.7
119.08563	34.4
121.10155	6.3
131.08546	16.4
133.10129	16.8
135.08057	5.9
143.08537	8.9
145.10095	28.3
147.08099	7.0
147.11673	5.4
157.10139	16.6
159.11717	18.6
161.09692	6.4
169.10042	6.9
171.11653	10.0
173.13200	15.3
185.13292	7.0
187.14803	43.1
195.11699	4.4
197.13313	4.6
213.12698	9.7
219.17720	3.9
225.16420	5.8
231.13841	41.2
269.18875	4.9
306.80536	4.6
335.15778	4.2
413.38345	5.0
415.30209	5.7
433.31125	28.0
493.33194	55.6
529.35352	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	529.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.8
55.05518	8.1
58.57579	1.5
62.52370	1.7
67.05508	11.0
69.03448	4.3
69.07072	4.3
70.06617	1.7
79.05512	16.6
80.42072	1.6
81.03406	2.6
81.07066	22.6
83.04985	17.0
83.08605	3.5
91.05488	13.3
93.07057	38.1
95.04970	12.3
95.08605	34.2
97.10190	3.0
105.07051	22.2
107.04942	2.8
107.08607	46.8
109.06525	4.2
109.10162	18.5
111.04470	1.8
111.08092	8.5
112.34547	1.8
117.07043	2.5
119.04967	12.5
119.08588	38.8
121.06516	8.9
121.10135	18.0
123.08079	2.4
123.11716	4.1
128.06290	1.9
129.07004	3.6
131.08601	22.0
133.10109	22.4
135.04428	2.1
135.08041	3.8
135.11716	9.5
143.08577	13.4
145.06538	9.1
145.10135	35.7
147.08032	13.7
147.11726	15.7
149.06065	4.3
149.09616	3.4
149.13280	2.8
155.08572	4.3
157.10175	12.5
159.08107	2.6
159.11729	12.4
160.11415	1.7
161.09673	6.5
161.13225	2.9
169.10138	9.9
171.08170	3.2
171.11691	13.5
173.09613	2.6
173.13243	12.6
175.07561	2.3
175.11205	3.2
175.14896	7.0
181.10138	2.4
183.11781	7.5
185.13217	18.5
187.14813	35.1
189.12779	2.5
195.11829	6.2
197.13326	3.7
199.14827	3.9
201.16377	7.2
203.14465	9.8
209.13249	2.5
211.14833	6.9
213.12759	17.2
215.18109	2.0
223.14900	7.0
225.16362	16.1
227.18163	2.6
231.13779	31.6
237.16447	3.5
239.18040	7.7
241.15933	2.3
251.18036	2.8
269.19055	8.7
415.30005	16.9
433.31061	20.0
451.32111	2.6
463.32556	2.0
475.26212	1.8
475.32324	11.8
493.33191	64.6
511.34344	10.1
529.35223	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06611	15.5
59.90051	1.6
70.06600	10.5
70.32652	1.4
74.06068	2.2
84.08158	2.5
85.02904	2.6
86.09695	2.8
97.02927	2.4
97.06590	1.6
99.62681	1.8
100.75370	1.5
108.04489	8.4
108.08121	2.2
111.08065	4.1
122.06017	2.5
124.03984	12.1
127.03884	2.3
136.07623	7.1
138.05496	4.1
140.03452	3.1
140.07079	10.1
145.02846	2.1
145.04938	1.6
146.06006	7.6
147.06288	1.6
148.03964	2.5
150.05492	2.8
152.10771	3.0
154.04999	2.2
158.16805	1.8
161.66588	1.8
162.09143	22.3
168.06509	18.6
170.08121	1.6
176.03433	4.2
177.05464	11.5
180.10188	42.6
190.08615	10.8
191.09840	1.8
192.06566	2.6
205.77740	1.8
208.09688	100.0
255.07455	2.0
263.10312	3.2
267.11371	3.7
273.08942	6.1
283.10568	2.2
285.12259	6.6
287.10410	2.4
291.09674	17.3
293.09256	8.0
294.09995	2.9
295.10754	10.5
297.08167	2.3
302.10950	2.3
311.10406	7.3
312.11392	4.0
313.11902	11.8
314.06503	2.6
315.09708	16.5
323.12283	8.9
330.09610	2.8
331.12692	1.9
343.09247	3.5
347.12314	3.7
350.07532	1.7
357.15741	3.6
361.13852	2.5
375.11493	2.2
480.17352	6.0
498.18729	94.9
512.20520	6.0
530.21338	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	531.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14514	1.3
57.07085	2.3
67.05520	12.3
69.03426	5.3
69.07066	1.6
71.04997	2.1
81.03416	2.4
81.07064	1.5
83.05000	2.5
85.02907	24.3
85.06541	16.8
93.07055	2.3
95.08611	100.0
97.02887	13.0
99.04438	12.8
103.03954	27.1
105.07034	2.6
107.08578	8.7
109.02876	3.1
109.06551	2.5
109.10169	2.1
113.06005	11.6
119.08574	17.3
121.10137	6.0
123.08058	50.7
123.11697	1.8
123.80555	1.4
123.82232	1.2
127.03912	44.2
131.08519	1.5
135.11694	23.0
137.09615	3.2
145.04967	12.8
147.11703	7.8
149.09637	38.6
151.07594	1.7
151.14825	6.2
161.13258	15.1
163.05954	13.0
163.11162	8.4
165.09126	1.5
165.12724	9.0
171.11722	2.0
174.10324	2.7
179.14305	2.5
181.23714	1.3
187.06104	1.7
189.12773	17.0
207.13802	87.2
225.14882	3.4
271.08044	2.1
289.09082	2.0
307.10196	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	531.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83220	2.0
55.78628	2.1
56.05044	40.2
70.06586	15.6
72.04517	26.2
79.66687	2.0
80.58967	2.0
81.07064	14.0
84.77176	2.4
86.25994	2.3
93.07023	3.2
109.06525	30.9
112.07619	16.9
117.06596	9.8
122.33060	3.0
126.09161	12.9
130.06541	9.9
132.08067	3.4
136.07605	18.3
137.05991	100.0
154.08623	40.5
157.07574	2.9
159.09154	31.1
160.07565	49.3
170.06009	5.9
172.09727	4.4
177.08673	25.0
185.07088	21.1
188.07103	4.4
193.05144	2.7
202.08641	97.8
210.11307	2.5
219.11339	10.1
220.09592	4.0
225.12263	3.7
245.09215	3.4
253.11658	3.3
253.15648	2.5
277.13284	15.2
295.14426	41.8
313.14063	5.2
337.15579	3.9
344.08023	3.0
355.16464	34.1
372.19095	25.2
386.74741	2.8
456.21146	3.3
471.22321	34.0
499.21741	22.9
513.23468	28.6
531.24298	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	531.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85730	1.8
56.05046	45.6
65.58250	1.6
68.51110	1.5
72.04166	1.8
72.04529	33.7
79.05488	2.2
81.07066	10.3
91.05452	1.8
92.20980	2.1
95.04960	7.1
109.06517	23.3
117.06617	11.4
118.04990	2.5
126.09168	3.0
130.06543	10.6
131.08212	1.7
132.08083	2.8
136.07584	6.8
137.05984	100.0
154.08640	37.8
159.09158	34.4
160.07574	30.0
170.05988	2.2
172.09677	2.9
177.08669	14.5
185.07176	4.2
188.07088	2.3
193.05006	2.5
199.16006	1.9
202.08607	74.7
211.08803	2.3
219.11249	11.7
238.10663	2.2
250.12437	1.6
253.11830	11.1
267.14798	3.1
277.13327	16.3
278.11679	3.6
295.14484	28.7
312.16888	3.5
313.13852	10.1
323.13828	7.2
337.15250	4.1
343.47388	1.9
355.16531	28.5
372.19177	19.7
388.72510	2.0
414.20334	6.3
428.46649	2.4
439.19308	1.9
453.20990	2.8
471.22415	32.5
499.21951	19.9
513.23566	31.3
531.24500	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	531.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85730	1.8
56.05046	45.6
65.58250	1.6
68.51110	1.5
72.04166	1.8
72.04529	33.7
79.05488	2.2
81.07066	10.3
91.05452	1.8
92.20980	2.1
95.04960	7.1
109.06517	23.3
117.06617	11.4
118.04990	2.5
126.09168	3.0
130.06543	10.6
131.08212	1.7
132.08083	2.8
136.07584	6.8
137.05984	100.0
154.08640	37.8
159.09158	34.4
160.07574	30.0
170.05988	2.2
172.09677	2.9
177.08669	14.5
185.07176	4.2
188.07088	2.3
193.05006	2.5
199.16006	1.9
202.08607	74.7
211.08803	2.3
219.11249	11.7
238.10663	2.2
250.12437	1.6
253.11830	11.1
267.14798	3.1
277.13327	16.3
278.11679	3.6
295.14484	28.7
312.16888	3.5
313.13852	10.1
323.13828	7.2
337.15250	4.1
343.47388	1.9
355.16531	28.5
372.19177	19.7
388.72510	2.0
414.20334	6.3
428.46649	2.4
439.19308	1.9
453.20990	2.8
471.22415	32.5
499.21951	19.9
513.23566	31.3
531.24500	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	531.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.3
55.47500	0.1
69.03414	0.7
79.05486	0.4
81.03405	0.9
83.04973	1.2
85.02914	0.3
90.78894	0.2
91.05475	4.0
93.07030	0.2
95.04961	0.2
101.65450	0.2
103.05458	0.4
104.06266	0.3
105.07047	0.4
107.08588	1.1
111.04432	0.9
117.06995	1.2
119.08575	100.0
129.05389	0.2
133.06487	11.1
135.08043	1.0
145.10165	0.2
157.10117	0.3
174.96593	0.2
199.11307	0.2
202.54530	0.2
220.12396	0.2
235.14839	1.2
237.16364	0.2
237.21173	0.1
243.10165	0.3
250.04837	0.2
261.11234	0.3
263.12830	0.7
263.29889	0.1
269.57010	0.2
307.11752	0.8
339.93396	0.2
363.28311	0.2
397.20053	1.0
401.16431	0.2
411.17926	1.1
515.94293	0.2
531.27393	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	531.3023
Annotation	rhizobactin 1021
Peak:m/z	Relative Intensity
51.86825	1.2
55.05514	1.3
56.05034	3.3
57.03444	2.1
60.05637	3.3
61.02921	1.9
66.46511	1.2
67.05498	6.7
68.13256	1.3
69.07060	5.3
70.06587	2.6
71.05000	2.0
72.04503	3.0
74.06087	2.6
76.05139	12.9
76.22624	1.4
79.05517	4.5
81.03387	1.5
81.07045	7.6
83.08614	5.2
84.05618	1.6
91.05463	1.6
93.07021	2.0
95.08638	2.2
96.05606	10.3
97.06509	2.7
97.10156	6.1
98.07214	9.7
102.05539	3.5
105.07013	1.9
107.08604	3.4
109.06473	3.2
109.10133	2.9
110.07153	6.0
112.05070	5.6
114.06640	3.0
116.08206	6.0
118.04991	6.9
120.06590	2.6
122.07144	5.8
123.08025	2.2
124.05042	5.6
124.08737	3.2
125.09622	3.2
126.06625	2.0
128.52390	1.3
133.10081	2.1
134.07129	7.9
135.07913	2.7
135.11722	1.6
136.08652	2.5
138.06650	2.6
140.08112	1.5
142.06093	8.0
146.07173	1.5
147.11603	1.7
149.23485	1.3
150.09164	1.8
152.08167	2.7
160.07158	14.0
164.08180	2.4
164.11877	2.0
177.09862	10.0
182.11670	5.3
189.60623	1.5
192.11308	6.8
193.12097	1.4
210.12360	6.5
220.10786	3.3
228.13535	1.8
264.17035	2.1
271.05807	2.4
277.21722	2.8
292.16617	10.8
320.09183	2.6
321.09732	2.5
351.25284	1.9
376.22150	1.8
378.24149	1.7
394.23471	2.2
401.00598	1.5
412.24268	9.1
495.28177	2.6
513.28992	9.5
531.17682	5.6
531.30127	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3163
Annotation	Kukoamine B
Peak:m/z	Relative Intensity
55.05510	8.1
57.03434	18.6
67.05504	26.0
69.07072	5.7
71.04990	8.1
79.05487	25.5
79.06188	3.9
81.07048	35.5
81.84474	4.0
83.08607	5.3
91.05457	19.4
93.07050	39.4
95.04939	5.4
95.08627	44.4
97.02885	28.1
97.06557	6.9
99.08085	5.2
105.07006	19.0
107.04977	5.4
107.08581	42.4
109.10155	11.4
119.08602	34.6
121.10143	30.3
131.08580	18.7
133.10136	29.1
135.11722	21.6
147.08119	5.2
147.11716	16.6
159.11699	19.9
163.47943	5.0
171.11595	5.7
185.13254	6.3
187.14899	6.7
232.85333	5.4
233.79852	4.9
259.20523	8.8
277.21567	19.5
351.25229	100.0
435.13702	5.7
495.29565	8.3
513.30505	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	531.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69404	0.8
53.21095	0.7
56.05039	2.2
57.07068	1.8
57.48715	0.8
58.06613	2.2
67.05524	1.2
69.07082	1.0
73.02929	6.6
74.06092	7.5
79.05470	1.1
81.07053	1.3
86.06090	5.2
88.07638	17.7
91.05471	1.1
93.07078	1.5
100.07626	1.8
104.07099	6.9
107.08594	1.5
122.08176	9.7
125.09631	1.8
133.10143	3.5
147.11610	0.9
161.09625	1.9
182.08247	0.9
189.09120	1.1
210.22166	1.3
225.11298	3.8
228.23145	1.7
241.14355	3.8
242.24760	32.3
269.13745	1.1
275.55173	1.1
290.26901	11.2
329.20587	7.3
352.97635	1.3
483.37946	17.8
531.40057	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20527	0.4
55.05511	0.6
68.67022	0.4
69.07069	0.7
81.07056	0.5
84.53271	0.4
93.04568	0.5
95.04385	0.5
95.08633	0.5
101.47971	0.4
126.01862	0.5
152.96356	0.4
224.12572	9.4
252.15700	77.3
298.66479	0.5
302.24582	1.0
313.75061	0.5
390.33478	0.5
458.19778	0.5
519.35071	0.5
531.41351	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
64.03186	0.6
67.05514	0.8
73.69183	0.6
83.08641	0.8
95.08610	1.4
224.12570	11.9
246.86339	0.8
252.15678	67.1
258.51965	0.8
341.12723	0.8
423.45981	0.9
531.41388	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	10.4
55.01876	3.2
55.05524	1.0
57.03447	1.1
57.25904	0.7
57.42101	0.6
58.19630	0.6
61.02930	1.0
67.02463	0.6
69.03435	16.3
70.06564	0.7
71.04996	5.8
71.39676	0.6
73.02904	5.5
81.02945	1.3
81.03424	31.6
84.08169	1.0
85.02908	49.6
87.00823	22.5
97.02895	39.8
97.03363	0.9
99.04456	22.9
103.03948	12.2
103.04565	1.1
105.01865	27.5
105.07049	7.6
109.02880	94.6
125.76848	0.7
127.03911	100.0
129.01833	7.5
133.10135	1.5
145.04961	16.3
147.02934	3.5
159.02882	22.6
163.05969	7.5
169.04959	2.8
189.80142	0.7
195.02811	0.7
213.03928	19.6
231.04984	33.0
231.07248	1.4
249.06000	13.0
253.06998	1.4
254.55122	0.8
291.07117	6.0
304.94348	0.8
331.95975	1.0
335.11148	1.0
357.08087	5.0
375.09219	15.6
393.10300	37.6
497.16559	7.9
506.13940	0.9
516.82257	0.9
532.17950	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	532.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	10.4
55.01876	3.2
55.05524	1.0
57.03447	1.1
57.25904	0.7
57.42101	0.6
58.19630	0.6
61.02930	1.0
67.02463	0.6
69.03435	16.3
70.06564	0.7
71.04996	5.8
71.39676	0.6
73.02904	5.5
81.02945	1.3
81.03424	31.6
84.08169	1.0
85.02908	49.6
87.00823	22.5
97.02895	39.8
97.03363	0.9
99.04456	22.9
103.03948	12.2
103.04565	1.1
105.01865	27.5
105.07049	7.6
109.02880	94.6
125.76848	0.7
127.03911	100.0
129.01833	7.5
133.10135	1.5
145.04961	16.3
147.02934	3.5
159.02882	22.6
163.05969	7.5
169.04959	2.8
189.80142	0.7
195.02811	0.7
213.03928	19.6
231.04984	33.0
231.07248	1.4
249.06000	13.0
253.06998	1.4
254.55122	0.8
291.07117	6.0
304.94348	0.8
331.95975	1.0
335.11148	1.0
357.08087	5.0
375.09219	15.6
393.10300	37.6
497.16559	7.9
506.13940	0.9
516.82257	0.9
532.17950	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	532.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69640	1.9
56.05044	22.8
62.35851	2.0
65.64348	2.2
70.06612	2.7
71.51391	2.1
72.04514	24.5
73.17097	2.0
78.77718	2.2
81.07053	11.4
84.08102	2.3
84.47224	2.3
93.07084	2.5
95.04956	4.5
109.06503	26.8
117.06631	22.0
124.38553	2.6
126.09145	5.3
127.03916	2.8
130.06509	31.8
130.19536	2.7
132.08054	4.7
133.10118	4.5
136.07605	9.2
137.05980	100.0
137.09616	5.2
145.02855	9.3
146.03200	4.0
154.08644	19.0
159.09161	45.4
160.07558	22.2
160.09492	4.2
170.05984	3.5
177.05426	20.6
178.05807	13.5
185.07129	4.3
187.08673	2.8
193.04997	27.9
194.05276	16.1
202.08606	89.6
202.10336	4.5
219.11296	14.1
250.12157	3.8
253.11879	10.6
267.14932	5.1
271.12936	2.8
277.13431	20.1
278.11774	3.1
295.14371	38.3
323.14023	3.0
347.72040	3.0
355.16464	29.9
439.19614	12.5
457.20981	5.6
471.22498	66.7
489.23532	41.3
500.21188	5.3
514.22552	4.6
532.24152	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	532.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	11.2
57.03445	4.8
58.83445	2.2
61.02938	4.0
61.11004	2.5
63.90252	2.2
64.46118	2.3
67.05509	70.9
69.07069	17.7
74.90952	2.4
75.21038	2.5
79.05503	32.6
81.07062	100.0
83.08612	5.6
83.98692	2.6
85.02907	4.7
85.06561	4.9
91.03932	3.0
91.05496	18.5
93.07050	54.1
95.08606	81.9
96.45818	2.6
97.06529	3.8
105.07029	13.0
107.08592	56.4
107.84579	2.5
109.10155	54.0
117.07007	12.7
119.08564	22.6
121.10135	61.7
123.11711	24.1
131.08588	22.9
133.10143	18.9
135.11693	45.1
137.09564	2.9
137.13255	4.6
145.10121	17.5
147.11711	19.8
149.13258	33.4
159.11742	17.4
161.13271	19.4
163.14780	21.8
173.13295	21.0
175.14839	3.1
177.16409	4.6
179.14383	3.5
187.14810	6.6
201.16466	2.9
227.70352	3.1
243.21089	33.2
261.22141	97.2
307.01529	2.8
335.25815	34.9
353.26889	93.0
353.31226	3.6
497.30908	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	532.348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	5.7
57.03439	3.1
61.02943	4.0
67.05503	53.7
69.07058	6.2
72.34097	2.4
79.05497	33.0
81.07063	73.2
82.56004	2.5
83.08609	5.2
91.05465	15.5
93.07037	57.0
95.08612	68.9
105.07030	18.6
107.08604	39.1
109.10159	39.5
117.07024	4.0
119.08575	14.2
121.10136	50.3
123.11687	21.1
131.08574	19.1
133.10083	21.7
135.11661	47.1
145.10135	22.3
147.11703	20.5
149.13261	30.2
157.49828	3.4
159.11676	20.8
161.13239	14.9
163.14822	16.6
173.13271	22.9
177.16344	4.3
187.14862	12.4
201.16356	3.6
232.17433	3.7
243.20987	34.4
261.22141	99.5
335.25803	20.2
353.26862	100.0
412.59384	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	532.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	11.7
57.07087	2.4
67.05508	30.7
69.07084	20.6
73.53127	2.2
79.05493	10.5
81.07059	45.9
83.08642	4.8
83.23658	2.2
91.05458	5.8
93.07053	26.0
95.08605	53.7
96.71016	2.4
97.06467	3.2
104.15629	2.7
105.07043	21.8
107.08594	43.5
109.10164	70.7
117.07006	3.0
119.08583	35.7
121.10137	32.4
123.11691	13.9
125.09635	3.1
129.47272	2.8
131.08580	6.2
133.10149	25.3
135.11673	19.6
137.13220	3.7
143.08498	4.5
145.10136	40.0
147.11700	29.9
149.13298	15.3
155.08514	3.8
157.10146	20.1
159.11693	28.2
161.13255	13.4
163.14807	2.9
169.10085	11.6
171.11726	19.7
173.13257	20.9
174.41527	3.0
175.14873	10.1
176.69261	2.7
177.43883	2.5
183.11719	10.1
185.13298	14.5
187.14795	4.4
195.11700	6.4
197.13243	14.8
199.14859	12.4
209.13293	13.1
211.14793	13.6
213.16286	5.5
222.13947	3.1
223.14810	16.2
225.16388	11.8
227.17950	10.9
235.14735	5.8
237.16414	13.9
239.17889	14.8
243.21175	4.1
249.16399	6.3
251.17911	15.4
253.19499	11.7
261.22046	12.3
263.17908	10.9
264.07806	3.0
265.19601	4.7
267.21106	4.4
277.19418	5.7
291.21060	13.3
292.21783	10.9
305.22766	3.7
317.22458	3.1
345.25888	3.7
353.26736	17.5
401.32175	35.8
419.33075	100.0
437.33926	16.6
461.34055	6.3
479.35181	42.5
497.36075	37.8
532.43604	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	533.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40967	0.3
59.95209	0.3
65.44659	0.3
69.03429	2.0
70.72991	0.3
73.02926	0.4
79.17321	0.3
81.03403	2.1
85.02888	2.7
87.00809	1.3
95.86887	0.3
97.02888	0.8
98.89589	0.3
99.04462	0.7
103.03960	0.5
109.02873	0.7
124.36247	0.3
127.03912	3.0
137.37573	0.3
139.55145	0.3
142.12708	0.3
159.02902	0.3
199.01442	0.4
270.05411	0.6
285.07562	100.0
336.26205	0.4
346.19476	0.4
451.71048	0.4
533.12726	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	533.1288
Annotation	Malonylglycitin
Peak:m/z	Relative Intensity
52.13724	0.2
58.08161	0.2
61.94485	0.2
69.54519	0.2
70.06593	0.5
70.47632	0.2
72.08158	0.4
73.16497	0.2
84.08147	0.3
85.02885	0.2
86.09686	0.4
90.30647	0.2
92.20988	0.2
92.21480	0.3
120.08070	0.9
129.10196	0.4
133.10110	0.8
134.22134	0.2
137.02333	0.9
145.46263	0.3
191.14236	0.2
225.05453	2.4
229.08591	0.4
242.05962	0.3
244.19159	0.2
253.04965	3.4
270.05212	8.8
285.07568	100.0
289.56152	0.2
320.22076	0.2
469.34094	0.2
533.12769	6.7
533.19928	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	533.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23762	0.3
62.05586	0.3
62.55744	0.3
68.71664	0.3
87.71941	0.2
92.15025	0.3
128.60706	0.2
137.02327	1.9
144.09331	0.3
167.07069	0.7
169.23862	0.3
210.12267	0.3
225.05432	2.7
229.08640	0.3
253.04930	2.9
257.08176	0.3
270.05215	11.0
285.07559	100.0
304.87274	0.3
351.32080	0.3
358.54370	0.3
533.13123	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	533.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91732	0.2
53.03957	0.1
53.66885	0.2
59.76271	0.1
69.03429	0.5
81.03411	0.2
82.69052	0.2
83.35980	0.2
85.02912	1.3
92.21460	0.2
96.10996	0.2
97.02890	0.3
99.04430	0.2
109.02859	0.3
109.04993	0.2
115.33701	0.2
118.57962	0.2
127.03899	0.4
137.02342	0.9
142.46066	0.2
159.02972	0.2
167.07072	0.2
183.04475	0.2
225.05431	2.0
253.04932	2.6
270.05197	8.8
285.07559	100.0
286.39767	0.2
309.07538	0.3
484.04007	0.2
533.12756	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	533.1291
Annotation	Malonylglycitin
Peak:m/z	Relative Intensity
57.97493	0.1
59.93450	0.1
66.36095	0.1
69.03413	0.2
78.22069	0.1
81.03392	0.3
85.02868	0.2
97.02842	0.2
109.02832	0.2
125.05952	0.2
127.03915	0.2
130.06453	0.2
143.07086	0.2
144.27565	0.2
146.05994	0.2
159.09178	4.8
167.03433	0.4
170.06042	0.6
187.05945	0.2
187.08672	0.2
188.07117	1.2
225.62529	0.2
237.13866	0.2
242.05814	0.2
265.13309	1.1
270.05185	1.1
283.14508	1.3
285.07578	100.0
301.15585	0.9
329.14957	0.3
385.62387	0.2
457.41650	0.2
487.23407	0.8
489.13995	1.0
515.22913	0.3
533.12909	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	533.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
76.53777	0.2
78.46272	0.2
80.97695	0.2
83.99867	0.2
89.40530	0.2
97.02871	0.3
242.05713	0.3
270.05148	1.1
285.07571	100.0
533.12909	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	533.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42791	1.7
56.04811	2.5
56.05048	42.1
67.28035	1.7
69.03440	3.1
70.06606	2.5
72.04519	26.6
72.08133	2.3
81.07063	3.6
85.02917	2.9
85.38522	1.7
93.07031	3.5
95.08611	3.5
107.08585	4.8
109.06523	24.0
114.05499	2.6
117.06605	11.6
119.04948	2.6
125.09620	19.3
126.09161	14.6
127.03914	7.4
129.66931	2.1
130.06541	13.5
136.07565	11.3
137.05983	92.0
149.09641	24.6
149.13260	3.1
151.11177	2.7
153.09135	8.7
154.08632	51.6
154.09804	3.3
157.07603	70.1
158.06020	24.8
159.09169	9.4
163.05992	2.5
163.14790	2.7
167.07051	10.0
172.09645	3.8
175.08711	33.8
177.08728	16.2
185.07150	4.7
186.05496	8.6
191.14320	11.5
203.08159	100.0
209.15379	33.9
221.09225	7.5
222.23524	2.3
225.12383	2.0
227.16422	8.7
238.10623	2.2
244.87408	2.0
253.11795	12.2
285.07617	4.5
293.12683	4.3
295.14377	2.1
311.13834	2.1
313.13846	17.9
315.31848	2.7
339.13400	3.8
356.16068	3.9
420.34518	2.4
448.00925	2.2
448.46512	2.2
458.19449	2.1
471.22308	9.9
487.21851	3.5
497.20279	9.7
515.14490	3.2
515.21356	64.7
533.22211	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	533.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77665	0.4
51.82157	0.4
52.49606	0.4
58.45653	0.3
59.17704	0.4
61.24205	0.4
61.44389	0.4
61.50971	0.4
67.40618	0.4
69.07074	3.3
69.61116	0.4
79.05466	0.5
79.34402	0.4
82.62500	0.5
92.21648	0.4
97.06541	1.9
100.27674	0.4
116.64919	0.4
118.06480	0.6
125.05964	3.1
130.06534	6.0
132.08080	6.8
138.66718	0.4
142.06505	0.9
143.07027	5.5
144.08098	1.8
146.06017	5.9
157.07602	0.5
159.09175	100.0
160.07568	2.1
169.07619	2.5
169.70705	0.4
170.06000	9.7
182.08336	0.7
183.68906	0.5
185.07137	4.2
187.08688	4.9
188.07082	19.5
200.09193	0.5
203.18092	0.5
205.09776	1.9
219.23550	0.5
222.12610	0.6
237.13873	4.0
238.12244	1.8
265.13333	19.0
266.11777	1.1
271.12363	0.7
283.14435	25.9
285.07553	0.9
301.15479	15.2
311.13968	5.8
329.14990	12.7
347.15475	0.5
350.08145	0.5
370.17542	3.0
469.22339	0.8
487.23398	17.5
515.22906	11.1
523.49939	0.6
533.23956	12.0
548.86829	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09327	1.4
55.05508	3.6
57.03446	2.7
67.05489	1.9
69.03436	9.6
69.07066	4.3
70.06595	10.4
71.04987	3.5
72.08187	1.9
77.84917	2.0
79.05502	2.6
81.03409	2.3
81.07064	11.0
83.05013	3.7
83.08604	2.7
84.08169	1.9
85.02908	26.6
85.06560	4.5
85.41285	1.6
86.09726	7.4
93.07042	11.6
95.08604	19.8
97.02898	11.0
97.06526	3.3
99.04470	13.8
99.08104	22.0
103.03941	36.0
105.07041	3.9
107.04952	4.1
107.08598	42.7
109.02850	2.4
109.06535	4.5
109.10164	10.5
111.08044	2.3
111.14320	2.0
121.06504	12.3
121.10162	29.2
123.08070	11.2
123.11710	3.8
125.05963	2.8
125.09632	3.9
127.03925	39.1
129.10294	2.4
131.08582	10.2
131.67114	2.1
133.10161	16.7
135.08075	13.1
135.11717	2.3
137.05995	3.0
137.09637	7.7
139.11217	2.8
145.02791	3.2
145.04970	14.9
147.11729	4.1
149.09625	63.5
149.13240	19.2
151.11203	23.4
153.09087	9.8
163.05992	8.7
163.14830	22.3
173.13240	22.7
177.05415	7.4
191.14305	53.8
209.15363	100.0
227.16365	2.6
270.05276	9.1
285.07547	85.2
307.10178	4.6
436.95001	2.1
464.55063	2.1
465.50064	2.2
490.15189	2.8
533.13416	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	533.259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48198	0.9
55.05531	1.8
55.63460	1.0
56.05041	13.9
61.01041	1.0
67.05506	1.2
69.03442	8.3
69.07079	1.1
70.06583	1.5
71.04987	1.4
71.75075	1.0
72.04520	11.3
81.03427	1.1
81.07062	2.4
83.04978	6.0
83.08633	2.6
85.02898	9.9
85.93575	1.1
91.05480	1.5
93.07029	2.6
95.04978	1.4
95.08609	7.8
97.02872	4.9
97.04641	1.3
97.10159	11.3
99.04456	6.9
99.08089	7.5
103.03951	12.0
107.08606	15.2
109.02867	1.3
109.06525	8.6
109.10160	5.3
111.08075	2.2
113.05997	2.4
117.06645	2.5
121.10136	7.0
125.05979	2.3
125.09633	58.6
126.09167	4.5
127.03941	17.0
130.06512	6.8
133.10147	4.9
135.08052	2.5
135.11667	1.1
136.07588	4.6
137.05977	30.4
137.09641	6.1
142.12570	1.2
145.04980	2.8
146.18242	1.2
147.11678	1.7
149.09622	53.7
149.13261	5.4
149.97220	1.2
151.11180	13.0
153.09099	17.3
154.08633	17.2
157.07603	25.2
158.06041	10.6
159.09210	2.2
163.05923	1.3
163.14824	8.7
165.12691	2.1
167.07053	7.7
172.09677	2.1
173.13231	3.9
175.07378	1.6
175.08725	10.0
177.08681	5.7
185.07037	2.5
187.07494	1.7
191.14326	23.4
203.08148	32.0
209.15367	100.0
225.12225	1.5
227.16411	20.2
228.78647	1.4
237.08118	1.2
255.14259	1.1
293.12665	1.2
296.15912	1.3
313.13904	5.6
353.13626	2.7
356.16037	2.7
421.29593	1.4
458.18665	1.5
471.22321	2.5
497.20496	2.0
515.21295	23.2
533.22168	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	533.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13993	1.0
51.45871	1.2
53.72715	0.9
55.05515	2.3
60.14484	1.0
67.05505	1.3
69.03433	5.4
69.07073	1.8
70.06577	1.4
81.03395	2.0
83.04996	3.0
83.08607	1.1
85.02904	12.6
87.41212	1.2
93.07048	2.1
95.08596	5.3
96.24198	1.3
96.51796	1.3
97.02879	5.3
97.06554	1.3
97.10175	7.2
99.04444	7.2
99.08082	9.3
103.03938	19.3
105.07056	1.5
107.04946	5.3
107.08596	12.1
109.02889	2.4
109.06538	1.8
109.10145	4.7
113.05981	1.9
121.06512	1.4
121.10146	8.0
123.08042	1.5
123.11657	1.5
125.05984	2.5
125.09626	49.0
127.03919	21.3
133.10129	2.8
135.08028	5.0
135.11716	1.5
137.05956	1.3
137.09550	1.8
145.04921	5.2
149.09619	60.3
149.13268	9.3
151.11182	15.4
153.09079	18.9
161.05925	1.5
163.05975	2.1
163.14824	6.0
165.12613	1.5
167.07011	16.4
173.13254	6.0
177.05423	1.4
187.07536	2.1
191.14317	23.8
209.15363	100.0
215.02547	1.3
225.05368	1.7
227.16394	17.5
253.04799	1.5
270.05121	6.2
285.07547	57.8
321.11407	1.3
326.23456	1.3
341.13898	5.8
353.13925	2.8
368.05173	1.4
515.24866	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	533.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05044	46.7
56.87726	1.3
57.00329	1.4
60.04531	1.5
69.33450	1.4
72.04512	27.8
73.73548	1.6
83.08628	3.7
95.08624	1.6
107.04970	1.4
109.02950	1.5
110.09660	1.8
111.08065	2.6
114.05538	6.0
117.06599	1.6
128.10707	3.7
130.06517	3.4
131.08170	1.8
132.08073	3.3
138.09140	9.3
139.07529	26.2
146.06029	1.7
156.10199	51.5
156.11467	1.8
157.08621	3.4
159.09158	24.3
160.07578	32.0
167.06996	1.8
170.06102	3.6
174.11272	11.2
175.09651	2.8
177.08708	22.8
188.07146	2.3
196.07668	2.4
202.08618	75.7
212.12767	2.6
219.11290	9.0
225.12341	2.2
227.13976	2.8
249.82680	1.6
252.13844	2.1
255.13399	1.7
279.14862	13.9
280.13205	2.1
280.79544	1.8
285.07599	35.5
297.15985	100.0
314.18594	3.5
315.15604	6.2
316.56805	1.4
339.16983	6.0
357.18066	31.9
374.20767	14.0
412.22113	1.9
414.00607	1.9
455.22916	2.5
458.23007	3.6
473.24094	30.5
501.23267	17.4
515.25140	29.7
533.18170	2.1
533.26019	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	533.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25097	1.3
56.05043	44.5
72.04521	27.5
83.08628	2.8
85.02922	2.2
89.46849	1.2
92.20875	2.8
93.07066	1.8
94.23991	1.4
100.38714	1.5
105.32375	1.5
106.29381	1.6
110.09713	2.7
111.08073	6.6
112.31693	1.4
114.89334	1.6
117.06611	6.4
118.05042	2.0
128.10718	2.8
130.06532	5.8
134.95781	1.4
135.07617	3.0
138.09161	6.5
139.07544	25.8
149.99553	1.6
156.10187	56.1
157.08638	2.8
159.09160	33.1
160.07559	40.8
170.05959	8.7
174.11243	8.9
175.09723	1.8
177.08693	24.9
188.07050	5.5
196.07593	5.3
202.08620	70.7
219.11276	9.6
227.13892	1.6
255.13184	4.7
269.46741	1.6
279.14932	22.3
280.13211	2.3
285.07513	22.0
291.10101	1.8
297.15991	100.0
314.18671	3.5
315.15561	8.0
325.15540	5.6
339.17123	6.0
347.84137	1.7
348.01682	1.6
351.05228	1.5
357.18097	29.5
374.20886	19.4
455.22852	2.7
458.22644	5.8
473.24051	28.8
483.22443	6.1
501.23300	17.4
515.24951	21.9
533.25824	52.7
547.66412	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	534.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99802	0.6
56.05053	0.7
70.06607	3.2
80.54520	0.7
82.30589	0.7
86.09727	1.0
89.06039	1.0
136.06201	1.4
173.12988	0.9
173.95139	0.8
174.63026	0.7
203.47360	0.7
210.42790	0.8
222.00551	0.8
294.11255	22.0
306.11353	5.0
307.08673	0.9
308.09253	12.4
308.12656	2.1
320.09183	1.0
321.09576	1.0
322.10745	33.2
323.11514	45.1
336.12326	11.0
337.13095	3.5
338.13849	56.4
350.13947	9.2
490.18262	1.3
504.16611	1.6
518.18176	3.3
519.19269	1.8
534.21301	100.0
534.29443	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	534.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99802	0.6
56.05053	0.7
70.06607	3.2
80.54520	0.7
82.30589	0.7
86.09727	1.0
89.06039	1.0
136.06201	1.4
173.12988	0.9
173.95139	0.8
174.63026	0.7
203.47360	0.7
210.42790	0.8
222.00551	0.8
294.11255	22.0
306.11353	5.0
307.08673	0.9
308.09253	12.4
308.12656	2.1
320.09183	1.0
321.09576	1.0
322.10745	33.2
323.11514	45.1
336.12326	11.0
337.13095	3.5
338.13849	56.4
350.13947	9.2
490.18262	1.3
504.16611	1.6
518.18176	3.3
519.19269	1.8
534.21301	100.0
534.29443	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	534.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99802	0.6
56.05053	0.7
70.06607	3.2
80.54520	0.7
82.30589	0.7
86.09727	1.0
89.06039	1.0
136.06201	1.4
173.12988	0.9
173.95139	0.8
174.63026	0.7
203.47360	0.7
210.42790	0.8
222.00551	0.8
294.11255	22.0
306.11353	5.0
307.08673	0.9
308.09253	12.4
308.12656	2.1
320.09183	1.0
321.09576	1.0
322.10745	33.2
323.11514	45.1
336.12326	11.0
337.13095	3.5
338.13849	56.4
350.13947	9.2
490.18262	1.3
504.16611	1.6
518.18176	3.3
519.19269	1.8
534.21301	100.0
534.29443	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	534.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05048	20.2
65.45866	1.1
69.07063	1.7
72.04517	16.8
74.06099	1.9
83.08624	6.9
86.09712	1.8
93.07051	1.5
100.03999	3.0
110.09658	3.0
111.08083	8.0
114.09158	8.2
117.06603	11.2
118.05003	7.6
128.10699	5.6
130.06523	37.1
132.08061	3.4
135.07669	6.8
138.09135	6.1
139.07506	19.7
146.06044	1.4
150.70316	1.3
156.10187	47.4
157.07568	2.4
157.08690	1.9
159.09155	26.5
160.07568	33.5
161.05603	2.1
169.28835	1.3
170.05977	7.8
172.09622	1.7
174.11235	6.9
178.08252	3.2
188.07056	2.5
196.07507	2.9
202.08626	96.5
207.11333	2.0
219.11214	10.9
225.12184	2.4
227.13934	5.5
240.12204	1.7
255.13527	2.7
279.14874	12.9
297.15967	100.0
325.15570	1.7
339.17047	2.7
357.18024	35.5
406.52515	1.4
413.21973	2.7
441.21063	13.5
459.22278	5.5
473.23941	63.3
473.30740	2.0
474.23337	2.5
491.25000	46.7
502.22574	2.7
534.25421	17.9
534.73700	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	534.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72800	0.4
55.05503	0.5
56.05031	0.9
58.06596	0.6
60.08170	12.5
67.05507	0.6
67.50372	0.5
71.07358	2.7
71.08614	0.6
81.07068	0.7
81.99245	0.5
86.09705	41.9
91.05461	0.6
93.07034	0.7
95.08584	0.6
98.68922	0.6
98.98470	0.7
99.08116	0.5
104.10742	89.8
105.58487	0.5
107.08591	0.6
113.88428	0.5
117.89819	0.5
121.10115	0.6
125.00004	15.2
137.28230	0.5
179.14371	0.9
184.07332	100.0
245.90488	0.5
258.11014	0.7
333.95648	0.5
363.38226	0.5
498.00122	0.6
516.30902	3.5
534.31866	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	534.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64572	0.5
60.08171	10.7
67.05530	0.6
67.45501	0.5
69.07056	0.6
71.07374	1.4
71.08633	1.3
77.25549	0.5
79.05489	0.5
79.54301	0.5
81.95181	0.5
86.09711	42.5
88.45661	0.5
88.51869	0.5
93.07029	0.7
95.08630	0.7
98.98481	0.6
99.08131	1.2
104.10750	90.5
109.10063	0.5
116.17027	0.6
119.08584	0.6
125.00002	16.7
150.33330	0.6
151.11276	0.6
184.07346	100.0
196.49648	0.6
219.13712	0.6
242.90372	0.6
516.30438	1.0
534.31824	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	534.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14600	1.7
55.05531	3.1
55.75031	1.7
57.03439	4.4
57.07078	2.0
57.92856	1.6
61.02925	4.0
67.05501	13.0
69.03445	17.5
69.07073	14.6
73.02922	32.6
79.05492	8.9
81.03406	2.6
81.06612	3.9
81.07065	83.6
83.08617	3.6
85.02438	2.5
85.02915	49.8
87.04491	4.1
91.03936	2.7
93.07048	38.5
95.04964	2.0
95.08609	43.7
97.02898	35.6
97.10180	3.1
107.08593	31.7
109.02862	3.5
109.10164	40.0
115.03930	21.7
121.10145	100.0
123.11688	19.5
127.03908	18.2
133.04994	19.0
135.11668	15.3
137.13263	3.0
145.04977	18.5
147.77431	2.1
149.13243	39.2
163.05966	6.9
186.21054	2.0
191.06261	2.0
205.19492	28.8
217.07195	3.0
222.22246	7.5
223.05962	3.3
241.07089	3.2
253.85252	2.1
259.08249	13.7
295.10175	23.3
404.54761	2.1
431.65875	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	534.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	11.9
57.03436	2.8
57.07077	10.6
61.02894	2.9
67.05513	50.7
68.87297	2.1
69.07062	20.7
70.36360	1.9
71.08643	5.0
79.05487	10.1
81.07064	94.9
83.08592	24.2
85.02921	5.3
85.06532	3.0
91.05470	10.5
91.93582	2.7
93.07032	21.4
95.08604	74.7
97.06533	3.1
97.10157	16.1
99.08109	3.0
105.07030	9.3
107.08601	17.9
109.10155	47.7
111.08098	3.5
111.11699	4.2
119.08571	11.5
121.10134	20.5
123.11715	30.4
133.10075	16.9
135.11694	18.8
137.13268	4.6
141.06346	2.5
141.12700	3.3
147.11697	15.3
149.13245	14.7
151.14850	3.8
151.19743	2.4
161.13255	17.1
163.14818	12.7
165.16408	3.8
175.14789	14.6
179.17979	4.1
181.16129	2.3
203.17964	2.9
209.20367	2.4
245.22659	57.4
263.23697	100.0
265.25177	3.0
281.24792	4.9
337.27322	48.1
355.28445	30.6
470.13455	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	534.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	6.2
56.47071	2.6
57.03435	4.0
57.07088	5.3
57.47340	3.0
60.58500	2.7
67.05508	71.9
69.07066	26.2
71.08625	7.3
79.05499	13.1
81.07068	100.0
81.07549	4.7
83.08617	25.0
85.02915	5.2
85.10172	4.6
91.05481	13.0
93.07050	22.3
95.08614	95.6
97.06512	4.4
97.10165	23.2
105.07050	8.2
107.08612	21.0
109.10155	55.0
119.08582	23.1
121.10142	21.8
123.11734	27.6
133.10156	19.5
135.11676	21.6
137.13254	13.3
144.77739	3.9
147.11694	15.7
149.13252	16.9
151.14806	7.1
161.13249	19.5
163.14836	19.2
175.14804	17.7
179.17932	3.7
189.16354	4.0
245.22716	52.3
263.23682	95.6
337.27374	75.8
355.28326	36.9
390.11191	3.7
499.32471	6.5
554.76233	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	534.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05542	2.7
59.82894	2.3
59.85926	2.0
63.18169	2.6
67.05522	25.8
69.07076	12.8
72.56684	2.4
72.66130	2.4
75.38660	2.5
79.05499	4.8
79.17047	3.0
81.07060	38.6
83.08616	6.1
93.07038	21.9
95.05020	2.9
95.08610	41.0
100.53531	2.7
102.75011	2.7
105.07047	22.7
107.08604	28.9
109.10161	100.0
119.08580	39.5
121.10132	23.4
123.11708	17.1
125.09614	3.7
131.08606	4.0
133.10141	23.8
135.11707	20.0
137.13271	4.1
143.08630	3.8
145.10104	41.3
147.11678	31.1
149.13269	15.2
157.10117	12.8
159.11705	31.8
161.13278	24.3
161.14429	4.1
163.14793	5.3
169.10068	3.7
171.11630	6.2
173.13211	29.9
175.14803	15.7
183.11681	6.5
184.54826	3.6
185.13275	11.5
187.14767	21.0
189.16411	7.0
199.14833	6.4
201.16359	30.4
203.17969	5.9
211.14847	3.3
213.16443	6.2
215.18062	10.8
225.16463	4.5
251.17813	4.6
253.19518	4.2
255.21051	4.5
267.21078	5.3
295.24255	3.3
403.33313	35.8
421.34671	67.5
439.35486	13.6
463.35657	19.1
481.36899	33.5
534.39606	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	535.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
53.79465	0.2
55.01876	1.5
55.05518	0.2
56.29459	0.2
56.29795	0.2
57.03437	0.4
61.02924	0.5
68.99768	0.3
69.03436	5.3
70.06604	0.5
71.04964	0.3
73.02916	1.4
76.37999	0.2
81.03426	6.3
81.07044	0.6
83.84958	0.2
85.02436	0.4
85.02912	9.5
87.00831	3.7
91.03954	0.3
91.05457	0.3
93.57837	0.2
97.02904	4.2
99.04445	2.3
105.01868	2.2
109.02882	6.6
109.06517	1.4
114.09186	0.4
117.01849	0.4
121.02864	0.4
127.03922	7.0
129.01868	0.6
130.06483	1.1
132.08105	0.3
137.05981	2.9
143.35312	0.2
145.02859	0.6
145.04967	1.6
146.06062	0.4
159.02866	3.9
159.09167	9.3
160.86963	0.3
170.06006	0.3
177.05489	1.3
185.07158	0.4
187.08640	0.3
187.40742	0.3
188.07056	4.0
205.09630	0.2
219.61305	0.3
222.09074	0.3
231.04961	0.3
233.10812	1.0
234.09137	0.5
249.10223	1.2
250.08583	1.0
251.11847	0.3
267.11179	0.3
272.15970	0.3
277.13400	0.4
287.05490	100.0
295.10971	0.6
295.14447	1.4
301.07144	1.7
313.11838	0.3
313.15421	1.1
323.13803	0.3
329.06607	0.3
341.14664	0.6
359.15921	0.4
421.17630	0.6
449.16949	1.3
467.18292	2.4
485.19064	1.3
503.20151	1.4
535.10822	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	535.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.7
55.01884	1.3
57.03442	0.6
61.02927	0.5
64.77598	0.3
68.99802	0.6
69.03439	5.1
69.94836	0.3
71.05000	0.3
73.02917	1.4
81.03429	6.1
85.02431	0.5
85.02913	9.3
87.00838	3.5
91.03934	0.5
97.02923	3.0
99.04449	2.5
105.01867	2.3
109.02883	6.0
117.01860	0.5
127.03926	6.7
129.01822	0.6
145.04951	1.6
159.02907	3.4
175.09470	0.3
231.04929	0.5
287.05515	100.0
409.38254	0.4
535.10907	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	535.1077
Annotation	Luteolin 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
52.92986	0.2
53.03946	1.3
55.01881	1.3
57.03432	0.9
61.02918	0.5
63.09970	0.2
63.87374	0.2
66.22848	0.2
66.67271	0.2
68.99792	0.7
69.03436	5.6
70.06579	0.9
71.05007	0.4
73.02933	1.3
77.69601	0.2
81.03426	6.0
84.08170	0.2
84.50407	0.2
85.02907	8.3
87.00835	4.4
91.03926	0.3
97.02879	3.2
99.04472	2.0
99.12114	0.2
105.01887	1.7
109.02883	5.5
115.03922	0.2
117.01826	0.8
127.03917	6.2
129.01837	1.0
145.04951	1.5
145.76155	0.2
153.01828	0.4
159.02887	3.5
168.01584	0.2
202.58740	0.2
231.05009	1.1
287.05484	100.0
332.95801	0.2
382.45425	0.2
483.31741	0.2
535.10284	0.4
549.73187	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	535.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	1.6
60.32677	1.2
65.31979	0.9
66.25626	1.4
67.63876	0.8
70.06586	10.5
72.04510	10.0
72.08146	2.7
74.06073	2.0
76.05130	55.6
84.04497	2.0
84.08151	10.1
86.09704	1.8
91.05475	10.5
102.05543	5.1
105.03408	2.6
107.05025	1.3
109.06527	2.8
110.07153	7.1
111.26381	1.2
118.05016	21.6
119.04932	20.8
120.06557	2.5
120.08113	1.7
129.10205	8.9
131.04904	1.6
131.09291	1.8
136.07616	2.2
137.05983	18.9
147.04388	9.3
149.05989	1.5
151.07581	11.4
159.08754	1.9
160.07173	37.0
161.05949	2.7
162.06715	2.0
164.28789	1.3
164.99998	2.5
174.19864	1.1
175.07515	4.4
177.09821	100.0
179.07036	5.3
187.07523	1.7
205.08574	1.9
223.00528	1.4
269.00900	2.2
309.11255	1.5
359.14771	1.7
379.11478	1.4
459.60901	1.5
473.04538	1.5
480.82864	1.4
535.24841	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	535.24
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05046	46.6
58.99324	1.5
59.31217	1.2
69.07052	2.4
70.06593	2.4
72.04517	29.1
83.08640	7.1
84.08134	2.0
85.02908	1.7
86.09691	2.6
93.07011	1.5
95.08599	1.3
100.03918	1.7
101.11433	1.5
110.09675	2.9
111.08089	6.2
114.05538	2.9
117.06618	8.3
118.05004	2.0
128.10698	7.9
130.06538	16.7
132.04424	1.7
135.07678	1.4
138.09123	8.1
139.07530	31.8
156.10197	52.1
157.07579	72.3
157.08510	5.9
158.06017	27.8
159.09149	9.8
174.11249	6.1
175.08623	30.0
177.08662	21.9
185.07115	9.2
186.05473	14.1
203.08150	100.0
208.09750	1.6
212.12846	2.2
221.09201	9.5
225.12328	2.0
227.13907	2.0
255.13297	3.4
279.14716	2.0
287.05463	1.5
297.15952	2.4
313.15454	2.0
315.15402	8.4
323.06647	1.8
323.14032	3.2
358.17581	8.0
457.20975	2.6
473.24054	12.1
475.21347	2.6
499.21838	10.7
517.22913	55.9
535.24103	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	536.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12321	0.1
60.49706	0.2
64.71971	0.2
69.03417	0.2
70.06588	0.4
72.08141	0.8
79.89055	0.2
84.08120	0.3
85.02891	0.2
86.09694	0.2
91.05463	1.3
97.02885	0.8
110.07145	0.4
119.04939	5.8
119.05743	0.3
120.08034	0.3
127.03931	0.2
136.07629	0.3
147.04410	100.0
148.45461	0.2
165.05467	0.3
175.06036	0.2
177.05424	1.6
188.18475	0.2
193.07106	0.3
195.06413	0.2
235.10780	0.3
309.09756	1.7
339.10760	7.1
470.51990	0.2
536.27570	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	536.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97675	0.3
58.56478	0.3
71.32182	0.3
102.57639	0.3
242.35330	0.3
257.57361	0.4
318.07635	6.5
320.09088	1.2
321.09940	0.5
332.09213	2.7
333.09927	6.5
404.18463	0.7
416.18716	0.4
432.18317	0.4
462.19025	11.9
508.23358	0.6
536.22797	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	536.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.2
55.01885	3.5
55.53385	2.0
67.05513	36.4
68.15538	2.1
69.03440	13.5
70.47669	2.1
71.04987	4.0
73.02923	3.4
81.03432	32.8
81.07048	2.8
85.02908	40.7
87.00838	15.7
97.02910	40.3
99.04485	21.4
103.03945	13.1
104.73866	2.5
105.01871	26.8
106.91611	2.3
109.02891	77.3
109.10171	21.0
109.51049	2.4
127.03920	100.0
137.05943	23.8
145.04973	16.0
159.02896	21.0
163.05998	5.4
182.63597	2.6
204.99260	2.4
213.03868	17.3
231.05011	23.1
249.06079	14.0
271.09528	4.2
291.07120	12.2
298.97861	3.0
336.12384	3.9
355.17316	2.6
357.08127	5.1
375.09213	12.1
393.10315	40.4
495.88425	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	536.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	4.0
62.06124	4.1
69.03414	7.0
69.07060	36.3
70.06591	8.3
71.01286	2.9
72.08181	4.6
72.96043	3.3
79.05483	5.2
81.03432	4.2
82.98568	3.9
83.04973	22.3
85.02902	8.6
86.09715	5.5
91.05482	8.1
93.07056	17.5
97.06535	84.0
99.04450	34.1
105.07026	25.9
105.76618	3.6
106.33884	3.8
107.08601	8.9
109.06526	7.7
111.42726	3.6
119.04890	4.2
119.08618	5.9
121.06514	24.9
125.05984	83.1
127.03899	4.5
131.08563	5.5
133.06477	5.2
133.10123	5.1
137.05971	7.8
143.07042	38.0
143.08376	5.0
144.26425	4.0
145.06490	5.6
145.10129	100.0
151.07558	7.6
159.07968	16.5
159.11710	32.0
163.07639	4.7
163.11168	43.1
164.55910	4.0
169.10094	6.6
171.11627	4.0
173.09633	90.4
175.07541	3.8
177.12709	8.5
187.11179	79.1
189.16359	4.8
191.10638	19.3
197.09642	7.7
205.12247	55.6
215.10635	63.7
233.11702	63.3
251.12704	40.1
269.13922	15.6
269.59305	4.0
307.15494	5.6
325.16507	27.1
343.17398	53.6
523.18378	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	536.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67125	0.8
55.05511	1.1
55.48754	0.8
56.05049	18.0
56.06639	0.9
56.76265	0.9
63.68063	0.8
68.61368	1.0
69.07063	1.0
70.06600	11.5
72.04519	14.5
72.08167	1.8
74.06083	1.2
83.08636	7.8
84.08146	1.6
86.09712	2.4
91.05484	1.9
93.07040	2.3
97.07321	1.0
100.03989	2.0
101.29295	0.9
110.07181	1.5
110.09688	2.1
111.08087	8.7
117.06606	16.0
118.05025	5.2
120.08123	3.8
123.79106	1.0
127.03957	1.1
128.10715	6.4
130.06554	15.6
132.04451	1.5
135.07674	4.3
137.05945	1.4
138.09189	5.1
139.07565	18.6
146.06003	1.1
156.10204	46.8
157.07608	66.3
158.05986	18.7
158.07979	1.1
159.08022	1.2
159.09155	8.7
161.05586	1.4
172.27519	0.9
174.11243	9.2
175.08644	27.5
175.09863	1.4
177.05446	1.4
178.08202	1.3
185.07100	6.1
186.05504	11.8
191.08260	1.0
203.08160	100.0
207.11290	1.7
208.09715	1.4
221.09193	8.5
221.12337	1.0
225.12238	4.4
227.13918	5.4
237.12408	1.2
255.13399	8.6
273.14404	2.2
277.13458	1.2
279.14941	1.6
295.14526	1.6
297.15915	5.3
305.80273	1.1
313.15668	1.6
316.14990	4.6
359.15894	2.2
381.26059	1.1
413.21817	1.7
429.21021	1.6
431.22879	1.3
457.20551	10.6
474.23083	1.4
475.21918	24.1
493.22910	8.8
500.21912	1.3
501.19662	1.7
518.22528	37.7
536.23511	9.4
564.54767	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	536.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93325	1.4
60.92693	1.7
69.14666	1.8
81.07070	9.0
83.08648	2.1
89.13825	1.7
91.05466	6.1
92.20967	2.6
93.07027	2.9
95.05001	3.1
107.04990	1.6
109.06508	26.5
119.04936	8.8
120.08104	3.4
130.06572	8.7
132.08112	4.0
136.07588	100.0
137.05986	64.3
157.07666	11.9
159.09177	44.6
160.07579	28.7
162.05501	2.5
170.06046	3.2
175.08714	2.5
179.07022	8.6
182.08281	2.1
185.07097	7.4
188.07066	11.8
196.09787	2.1
202.08632	45.3
203.08131	16.4
219.11298	2.7
250.12305	2.1
260.10672	4.2
267.15009	2.3
272.12869	10.9
277.13391	7.0
278.11716	2.2
290.13763	3.6
295.14429	22.2
313.15445	2.4
323.13779	2.0
332.15045	3.9
337.15375	2.3
341.14856	1.9
355.16516	18.4
458.20303	3.8
476.21957	25.6
490.23438	27.8
504.21335	16.6
518.22943	13.9
536.23901	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	536.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	0.4
56.12816	0.4
59.58130	0.3
69.03442	0.9
69.07096	0.4
70.81162	0.4
74.06066	3.6
81.03425	0.9
83.04978	0.6
85.02920	2.8
86.09709	100.0
87.00826	0.8
87.05602	2.2
93.07026	0.8
95.04951	0.6
97.02886	0.6
97.06543	2.3
103.05479	1.4
105.01877	0.5
105.07065	0.8
105.73936	0.4
107.08595	0.7
109.02885	1.0
109.10167	0.5
116.07093	0.6
119.08534	0.6
120.08102	83.8
121.06528	0.8
125.05947	1.7
126.05521	6.3
127.03918	1.7
127.91532	0.4
131.60008	0.4
133.06084	11.5
143.06993	0.7
145.10081	2.5
153.02097	0.4
159.02930	0.6
159.11690	0.9
163.11160	2.7
173.09641	2.4
175.14818	0.8
187.11217	2.4
189.16319	0.6
195.11264	0.8
205.12234	0.8
211.14388	2.7
215.10664	0.9
217.09558	0.5
231.04843	0.5
233.11662	2.3
233.16479	3.1
239.13885	14.4
251.12697	1.7
257.14890	10.8
261.15958	2.9
263.10202	2.2
280.12924	15.1
287.05511	8.9
288.02731	0.7
288.05838	15.0
325.16263	1.0
376.22525	3.6
390.67908	0.4
393.21350	3.3
404.21799	10.2
435.57361	0.4
500.23962	0.5
518.26080	0.5
536.30121	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	536.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04788	1.8
64.45099	1.8
71.85916	1.6
74.14855	1.7
79.05460	1.6
82.47385	1.9
83.08620	3.3
93.07028	3.2
103.05460	12.8
110.09672	4.5
110.25450	1.9
111.08089	2.5
119.17360	1.9
120.08101	75.2
121.06496	64.9
131.04932	28.6
132.08075	7.3
135.08040	2.6
138.09142	4.0
139.07558	2.0
139.32504	1.6
146.06050	3.0
156.10220	9.9
159.09163	35.2
160.07565	47.0
163.07582	20.6
170.06015	8.3
180.10175	33.1
196.07620	2.9
202.08618	75.8
219.11281	9.1
219.75119	2.1
258.14886	10.6
278.75107	2.3
279.14865	26.0
280.13544	1.9
297.15961	100.0
299.06241	2.6
318.16974	11.8
339.17096	3.9
357.18048	31.8
476.25375	59.2
486.16357	7.4
486.22852	2.4
504.24796	37.9
518.26129	2.9
536.20172	6.3
536.27472	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	536.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55200	0.6
60.08170	9.8
67.05473	0.7
69.03423	0.8
69.07082	0.8
71.07368	1.3
71.50981	0.7
76.23679	0.7
81.07053	2.7
83.08611	0.7
84.34954	0.7
85.02911	4.1
86.09713	32.8
88.53262	0.8
93.07040	0.8
93.88727	0.7
94.17709	0.7
95.08614	1.5
97.02856	1.1
104.10748	75.9
105.01899	0.9
109.10191	1.1
121.10149	0.8
124.46265	0.9
125.00005	15.0
127.03941	1.1
137.13242	1.1
153.29066	0.8
184.07338	100.0
277.18457	0.8
500.31256	4.5
513.12708	0.8
518.32416	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	536.3793
Annotation	CHEBI:68080
Peak:m/z	Relative Intensity
50.28854	2.6
54.09274	2.6
54.26548	2.9
55.05518	12.6
55.67551	2.6
57.03442	4.7
57.07079	23.2
60.68199	2.9
61.96674	2.9
65.36839	2.9
67.05512	33.4
69.07069	48.7
71.08631	12.8
75.04510	3.2
79.05487	13.7
81.07062	49.2
83.08270	2.9
83.08632	45.5
85.02888	6.3
85.10168	5.5
93.07032	24.6
95.08613	65.7
97.10173	41.1
107.08595	21.0
109.10172	37.9
111.08102	3.6
111.11742	7.2
121.10159	58.1
123.11729	13.7
125.09668	3.3
135.11700	49.3
143.95418	3.1
149.13232	21.6
151.14714	4.8
163.14812	6.5
165.39313	3.3
170.96184	2.9
175.25983	4.0
204.00360	3.5
247.24158	37.0
265.25299	73.8
283.26285	14.1
339.28931	82.2
357.30051	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.8
56.05046	6.3
57.15403	0.4
67.05238	0.4
67.05513	5.8
69.03407	0.5
69.07074	3.4
70.06585	0.7
73.25458	0.4
79.05478	1.9
81.07072	4.2
82.06578	0.4
83.04946	0.7
83.08610	0.9
84.08134	0.7
91.05468	2.2
93.07037	2.3
95.08621	3.0
97.06568	0.5
97.10168	1.6
98.09696	0.7
105.07018	0.4
107.08597	2.7
109.06559	0.5
109.10156	8.6
110.09692	0.6
110.74111	0.3
111.08090	0.6
111.11700	0.5
119.08562	2.9
121.10134	0.5
123.11727	0.5
124.11194	2.9
125.09615	2.2
126.12779	0.7
131.08525	0.6
133.10121	0.6
135.08075	0.7
135.11710	1.8
136.11223	4.5
137.06004	0.5
137.09633	4.5
145.10133	0.6
149.13196	0.9
151.11084	0.4
152.10736	0.5
153.13884	3.6
154.12268	100.0
159.11650	0.9
161.13269	1.8
168.13831	12.9
170.11758	2.0
171.14885	3.6
178.15904	1.8
179.14287	0.6
182.15347	3.3
185.16536	3.7
189.11082	0.5
195.18581	5.4
196.16968	71.9
198.14944	0.4
213.19606	14.4
286.21567	1.5
303.24438	3.9
304.22754	2.8
304.26114	0.6
305.22272	1.0
306.20694	3.6
314.24823	4.3
315.23346	0.7
321.25369	14.0
321.28922	0.5
324.21582	3.4
331.27396	14.1
332.25797	8.6
335.26944	2.1
338.27969	1.8
341.24368	6.7
348.30084	4.2
349.28491	67.4
352.24936	0.5
366.31049	5.1
391.25906	0.8
501.36914	1.7
518.39386	5.0
519.37897	3.1
536.40643	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	536.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12300	0.2
55.05512	0.5
56.05045	4.9
61.21789	0.3
67.05508	2.7
67.30704	0.3
69.07072	2.8
70.06573	0.3
71.87408	0.3
79.05479	0.5
81.07066	2.2
83.08598	0.5
85.06497	0.3
86.07864	0.3
91.05468	2.0
92.20952	0.6
93.07043	2.5
95.08604	2.1
97.10153	0.3
107.08576	0.5
108.08150	0.4
109.09449	0.4
109.10164	8.3
110.09738	0.3
111.08091	0.5
111.11716	1.2
119.08582	3.0
120.08094	1.5
121.10109	0.5
126.12781	0.3
133.10161	0.3
135.08051	0.4
136.11229	3.5
137.05965	0.7
137.09631	4.9
138.12830	0.5
149.13246	1.9
153.13876	5.9
154.12273	100.0
157.07637	2.0
158.06059	0.5
159.11734	0.3
164.10728	1.1
166.15891	1.7
171.14929	19.2
172.13358	0.6
175.08644	0.5
180.10226	0.4
186.37427	0.3
196.16995	0.5
203.08214	1.6
210.18454	0.7
212.16432	1.1
227.21220	0.3
239.30954	0.3
271.21750	0.4
272.20120	4.4
273.18497	0.4
289.22748	11.6
290.21124	5.2
306.25458	2.9
307.23801	49.4
324.26434	6.7
330.24155	0.4
347.26956	0.6
348.25311	3.3
363.22614	0.4
363.29990	1.1
366.26471	2.8
383.29089	0.4
500.38626	0.4
501.36438	0.5
518.23077	0.6
518.39569	4.9
519.38055	1.1
536.40625	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	536.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	0.8
55.50963	0.7
55.73763	0.6
56.05056	6.5
67.05509	3.9
68.92809	0.8
69.07073	1.5
81.07068	3.8
83.08639	0.9
91.05466	0.9
93.07058	1.1
95.08607	4.9
103.42984	0.8
105.94375	0.8
107.08612	1.5
109.10146	7.5
119.08553	1.8
121.10175	0.9
122.50349	0.9
123.17943	0.9
134.24858	0.8
135.08076	1.1
135.11797	0.9
136.11223	3.5
137.09634	3.8
138.38177	0.8
149.13280	1.7
153.13893	4.6
154.12274	100.0
161.13184	1.0
166.15941	1.2
171.14914	14.2
195.18547	1.0
196.16983	28.5
206.32411	0.8
213.19633	4.8
220.77821	0.9
272.20187	3.5
289.22675	6.2
290.21262	5.7
293.61880	0.8
306.20630	1.1
307.23788	30.8
314.24911	1.2
319.68454	0.8
324.26410	5.7
331.27649	5.8
332.25885	1.5
339.25772	0.9
341.24283	1.1
348.25244	3.3
348.29849	1.1
349.28479	26.2
366.26404	1.6
366.31110	1.7
389.53180	0.8
438.28366	0.9
518.39264	4.0
536.40698	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	537.3031
Annotation	Arg Ala Tyr Lys
Peak:m/z	Relative Intensity
80.86092	0.7
136.10750	0.9
155.47392	0.8
200.54276	0.8
292.49399	1.1
537.30353	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25785	0.7
67.05505	0.9
69.03403	0.9
69.17679	0.7
73.86833	0.7
79.05492	0.9
81.07064	7.9
83.08655	0.9
86.09698	0.9
91.05482	6.0
93.07027	3.9
95.04981	0.9
95.62093	0.7
107.31908	0.8
107.33489	0.7
109.06523	16.8
109.28886	0.7
114.09156	3.5
119.04929	5.8
120.08176	0.8
127.07600	0.9
130.06531	20.4
132.04453	3.7
132.08072	0.9
136.07584	100.0
137.05980	40.5
137.07034	1.2
146.06029	0.8
147.04407	1.0
157.07614	59.8
158.06023	23.9
159.09169	11.1
163.07558	0.9
165.05508	3.4
166.08687	1.4
175.08705	28.1
182.08128	1.0
185.07108	7.6
186.05501	4.4
187.07330	1.0
188.07005	1.0
203.08151	61.4
204.06598	1.5
209.16458	1.1
221.09213	5.1
244.07503	1.0
272.12869	10.2
275.11581	1.1
277.13309	1.2
282.61520	0.9
290.13815	8.4
293.12833	3.9
295.14377	4.3
311.13632	1.4
318.13388	3.3
324.08792	0.9
329.14978	1.4
339.13492	1.8
357.14236	3.5
359.72302	1.0
375.15811	0.9
474.19861	1.9
474.40042	1.1
476.21579	5.8
492.21310	9.4
502.19720	2.9
507.90237	0.9
520.20801	32.5
537.86774	6.4
538.21826	9.3
538.36401	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	538.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	4.6
70.06590	2.4
80.85118	1.0
81.53175	1.0
85.02908	12.7
86.09719	1.7
91.05466	1.7
97.02882	2.2
102.05814	1.1
103.05467	5.1
105.07037	1.7
107.04930	1.2
109.02900	2.2
119.08575	2.2
120.08131	1.3
127.03895	1.9
131.04942	15.8
132.05696	1.9
133.03368	1.1
133.06473	5.0
137.05977	100.0
137.71893	1.1
147.08047	8.9
149.06021	2.8
150.33601	1.2
159.07950	1.3
161.05971	12.4
163.07539	26.6
175.07544	89.0
187.07573	7.0
193.08594	8.5
199.07620	7.8
201.09163	2.1
209.27986	1.4
219.08086	5.4
231.07957	2.6
247.07639	4.4
248.08208	1.7
251.10693	12.7
259.07639	2.5
260.08340	2.1
263.10596	4.9
276.07706	2.0
279.10196	9.9
288.05783	1.1
291.10184	9.8
292.10892	1.6
296.10748	1.4
311.12799	23.3
323.12708	20.9
325.14291	8.2
341.13782	7.6
365.40576	1.2
503.19040	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	538.2291
Annotation	6-O-methyl-N-deacetylisoipecoside
Peak:m/z	Relative Intensity
51.70010	0.5
54.48463	0.5
60.10384	0.6
63.15073	0.8
69.03442	0.8
70.06592	4.2
72.08140	1.3
72.64247	0.7
74.99860	0.7
84.08150	2.7
85.02898	1.3
86.09711	4.7
91.05476	1.6
97.02870	1.4
99.04483	0.8
105.07053	1.7
109.06555	1.5
110.07156	1.5
120.08109	1.7
121.06513	0.9
127.60156	0.7
129.07072	0.8
129.10254	0.9
130.06558	1.2
133.06499	4.4
136.07582	9.8
137.05980	100.0
145.06493	1.3
147.08061	1.2
149.05997	8.3
154.55669	0.8
157.07629	4.4
159.08006	1.3
161.05969	18.0
162.06752	3.0
163.07449	1.1
173.06042	1.0
175.07526	26.3
179.07019	1.2
187.07558	8.6
191.08702	1.5
193.08656	6.0
199.07597	3.6
203.08188	6.4
205.08505	1.7
219.08107	5.4
231.07959	1.2
247.07559	4.5
248.08212	0.9
251.10655	14.7
259.07761	1.4
263.10544	1.5
264.07739	1.3
272.12680	0.9
279.10193	9.7
280.11078	1.0
291.10132	4.5
309.11151	1.3
311.12778	25.5
323.12738	11.4
329.13916	5.3
341.13931	12.6
359.14795	3.9
436.75714	0.8
503.18927	4.1
520.21057	3.0
538.24146	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	538.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46789	0.5
57.16726	0.5
59.11876	0.7
61.02949	0.5
69.03442	0.7
70.06598	4.3
70.81417	0.6
71.04997	0.9
72.08170	0.9
75.30203	0.6
81.03442	1.5
85.02907	8.8
86.09721	5.0
87.04520	0.9
93.33234	0.6
97.02909	2.9
99.08115	1.0
105.01926	0.6
109.02855	0.9
109.06531	1.2
113.05347	0.6
115.05494	1.2
125.06005	1.1
127.03925	1.0
127.11194	0.8
129.06996	1.2
131.04959	3.7
133.10172	1.3
137.05984	83.2
143.04938	11.7
145.05005	1.2
145.06490	1.1
151.03918	0.6
153.05527	3.7
157.06497	4.4
159.08066	0.8
160.05212	7.8
161.06013	3.0
163.07571	3.1
174.06714	0.7
175.07544	100.0
180.08684	2.7
187.07547	33.2
189.09099	9.4
199.07529	0.9
205.08601	15.6
208.14658	0.8
213.12402	3.9
217.08691	3.5
219.08095	1.3
224.16487	1.0
231.08115	0.9
235.07268	1.2
235.09639	31.2
237.18564	1.3
239.07109	0.7
247.07607	1.2
251.10667	1.3
255.59988	0.7
259.07709	0.7
263.10742	3.7
270.08835	2.4
271.09726	1.3
276.07867	1.0
279.10229	3.5
286.27606	0.7
291.10049	5.5
296.10483	0.8
308.10620	0.8
311.12814	4.7
323.12842	5.5
341.13803	13.8
344.20645	1.2
452.54660	0.7
538.33136	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	538.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	6.0
55.01873	1.8
55.05519	3.3
57.03432	2.0
57.39754	1.4
59.40694	1.4
60.52820	1.5
61.02925	2.9
69.03436	18.2
69.07084	12.0
71.05002	3.1
72.06361	1.6
73.02917	6.1
81.03418	28.6
81.07093	1.5
85.02914	54.0
87.00819	20.4
94.32404	1.5
97.02895	43.1
99.04465	22.6
103.03957	11.1
105.01865	24.5
109.02879	91.4
120.08096	29.5
127.03909	100.0
129.01857	8.6
130.06526	3.7
139.07574	2.0
141.28989	1.8
145.04945	16.0
147.02913	2.2
157.07597	12.5
158.05974	6.8
158.24971	1.5
159.02879	20.2
163.05989	3.7
175.08696	6.1
185.07141	2.2
187.06062	2.0
193.85297	1.5
213.04016	15.7
217.09775	20.2
231.04990	30.0
249.06065	9.6
258.14896	6.7
267.06927	2.4
291.07022	9.1
341.15619	1.8
357.08154	2.9
363.79568	1.6
373.48053	1.5
375.09195	21.6
376.72684	1.7
393.10327	33.5
502.22986	2.6
503.21539	3.1
520.24225	9.0
538.25391	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	538.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29083	1.9
65.99657	2.2
69.03439	5.7
69.07063	3.7
70.72261	2.3
71.36431	2.1
81.03436	3.9
81.07057	2.9
83.08620	5.8
85.02908	14.5
86.09701	2.7
87.00836	2.7
91.05508	2.4
93.07059	3.8
95.08583	4.2
97.02895	14.8
99.04449	2.9
103.05463	16.6
106.51994	2.3
109.02895	9.7
109.10168	3.2
109.75514	2.4
110.09687	10.0
111.08137	3.0
114.09167	3.4
120.08107	100.0
121.06509	81.4
121.29147	2.1
127.03944	20.3
130.06529	30.2
131.04921	32.9
135.08026	9.9
137.05965	2.6
138.09166	2.4
139.07481	3.7
145.04915	3.4
156.10179	12.9
157.07608	95.7
158.06038	39.1
159.09192	22.2
163.07516	26.8
175.08641	47.3
180.10175	45.9
185.07103	12.2
186.05475	17.3
203.08159	92.6
209.13237	8.4
221.09259	5.5
240.13727	3.2
258.15051	3.0
277.13266	2.7
279.14865	5.0
295.14301	3.7
297.16019	9.9
318.17032	26.3
341.15009	4.4
341.45987	2.1
349.79468	2.9
359.16101	2.3
460.22342	8.8
476.25284	21.2
478.23474	12.4
492.24808	4.2
520.24371	53.0
538.25385	23.5
538.33252	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	538.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11190	0.8
55.05512	0.9
57.33401	0.7
59.40895	0.7
67.05490	0.8
69.07082	1.2
83.08629	5.2
85.02900	1.2
91.05479	1.8
92.20896	1.9
93.07024	1.6
95.08652	1.0
100.03906	0.8
103.16330	0.9
105.87678	0.9
109.06512	0.9
110.09685	4.6
111.08071	4.3
119.04944	13.8
120.08121	2.1
121.06524	3.5
130.06523	7.6
132.08098	8.9
136.07588	44.4
137.05986	58.0
138.06245	0.9
138.09140	3.5
139.07549	1.9
144.08075	1.1
146.05992	11.9
147.04408	14.2
151.07565	1.0
152.10580	1.0
156.10207	5.8
157.07581	3.5
159.09178	100.0
160.07571	1.8
169.07591	1.3
170.05997	9.7
173.06047	1.2
179.07036	51.8
180.10184	1.0
187.08655	4.8
188.07063	31.5
196.07816	1.9
196.09674	22.0
203.08209	5.8
205.09775	3.4
256.13327	1.7
274.14319	10.1
277.13318	1.1
279.14877	11.4
297.15982	34.1
315.17041	6.5
323.13885	1.0
325.15417	4.8
334.16550	8.7
343.16519	6.3
408.55197	1.0
460.22272	3.8
478.23474	15.7
492.24921	26.6
506.22821	10.1
520.24536	16.7
538.17993	1.2
538.25537	32.7
538.41064	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	538.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92214	0.5
58.53711	0.5
63.57811	0.7
66.38305	0.7
68.43967	0.6
70.48390	0.6
70.86597	0.6
81.03419	1.2
81.07060	1.1
83.08635	3.1
91.05479	4.6
93.07005	1.0
95.04971	1.0
95.08599	0.7
110.09698	0.7
111.08060	1.1
114.09114	0.7
119.04956	7.5
123.04458	1.2
130.06534	3.2
132.08083	5.6
136.06223	18.7
136.07596	100.0
139.07541	2.7
144.04497	1.1
146.06012	1.3
147.04425	1.2
156.10246	1.2
159.09172	31.2
160.07571	37.0
160.08894	1.2
165.05516	3.9
169.07573	0.7
170.05978	6.9
175.11069	0.8
181.26476	0.8
182.08171	1.5
185.07118	0.9
187.08640	1.1
188.07124	4.0
196.07620	4.5
202.08629	57.4
204.98108	0.7
209.58357	0.7
211.29436	0.7
219.11259	8.8
219.12810	0.6
223.93434	0.6
248.10715	0.8
251.15411	1.6
252.13739	1.3
256.13367	3.5
260.10727	3.2
262.12283	0.9
274.14365	16.8
279.14944	19.2
280.13391	2.9
292.15332	5.9
297.15964	76.5
303.18530	0.7
320.15088	1.0
325.15396	5.1
339.17059	1.7
357.18057	22.5
375.19156	1.2
460.22287	5.0
478.23404	26.2
492.24838	20.7
506.22806	15.6
520.24377	8.6
538.25391	32.2
538.32867	6.4
562.49463	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	538.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	8.5
57.03458	5.3
57.07073	4.3
58.23717	3.1
61.11455	3.0
61.16090	3.4
62.42807	3.2
64.80505	3.5
66.99333	3.6
67.05508	9.4
69.03427	15.6
69.07077	5.6
70.06583	18.3
72.08172	28.4
73.02930	37.2
81.07066	18.0
83.04984	7.2
83.08649	6.7
84.08141	6.4
85.02908	36.6
85.06523	5.1
86.09679	6.7
93.07050	6.1
95.04977	20.1
95.08615	5.9
97.02886	27.6
97.06548	6.7
99.04440	6.2
107.08604	19.5
109.02872	6.4
109.06544	24.3
109.10155	42.6
115.03953	7.9
119.08581	9.6
120.08089	28.9
121.10163	26.1
123.08051	4.9
123.11670	8.0
125.09666	8.2
127.03947	5.9
129.10246	35.0
131.08530	5.6
133.10144	56.1
135.08080	4.9
135.11717	4.5
137.05983	6.3
145.04967	9.4
145.10172	6.5
147.11726	15.3
148.05981	12.7
149.13231	9.5
151.11206	5.8
153.09096	9.7
163.14650	5.8
167.14294	19.0
173.13222	34.9
175.14836	31.0
177.05498	7.7
191.14288	26.6
193.15800	5.1
207.11322	46.2
209.15395	100.0
227.16399	30.2
235.10663	8.4
292.12860	6.8
338.50513	4.8
343.83405	4.8
391.19656	9.1
506.18927	5.6
538.27478	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	538.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99642	4.1
57.07088	51.6
58.41275	4.3
59.52122	4.1
62.63057	4.0
67.05523	10.8
69.07063	8.0
69.65190	4.9
71.08640	55.8
81.03388	5.2
81.07059	26.4
83.08617	9.3
85.02910	12.3
85.10187	29.6
95.08593	41.4
97.02920	7.9
97.10169	10.0
109.10148	35.2
123.11672	9.2
127.03931	8.6
129.35283	4.9
145.04941	6.5
158.68929	5.3
166.74832	5.1
186.65950	5.8
193.58011	5.3
267.26636	5.6
333.93848	5.0
341.30692	8.2
411.30954	19.3
429.32153	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
63.78691	0.5
67.05508	4.7
68.96626	0.5
69.03428	0.5
75.07337	0.5
80.57222	0.6
81.03415	0.5
84.18448	0.7
85.02917	1.5
90.59360	0.7
93.07030	0.7
95.08603	14.6
101.42048	0.6
109.02895	2.5
120.08088	1.1
121.10180	0.7
124.07635	1.0
127.03928	2.9
136.11288	0.9
138.09190	1.0
152.10693	12.6
160.07625	0.6
164.07043	1.5
164.10701	33.3
166.08733	0.7
174.09158	1.5
178.08603	1.2
188.10770	0.8
190.08623	1.5
192.10193	34.1
202.08580	0.7
204.10211	3.6
214.08649	1.5
216.06734	0.9
216.10281	1.0
228.06514	1.2
230.08084	3.5
232.09756	2.6
242.08244	1.3
244.09679	6.2
246.11333	0.7
248.09219	4.1
250.08531	0.9
258.07547	6.6
268.09656	0.7
270.07657	3.2
272.09180	0.8
274.07300	1.2
276.08661	11.9
280.06171	0.9
282.07751	2.8
288.08652	17.3
290.10272	1.1
296.09317	2.8
298.07315	1.1
298.10693	1.3
300.08527	1.0
310.07169	1.3
314.10306	3.0
316.08182	31.4
318.09784	2.4
321.94656	0.8
324.08768	4.0
326.10541	1.0
328.08386	0.8
342.09833	5.7
348.10870	14.1
352.08139	6.7
356.11209	1.3
370.09235	7.7
374.12271	1.2
489.16721	2.3
507.17566	18.7
521.19159	1.1
539.20233	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	539.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.0
55.01867	1.1
57.03424	1.1
61.02919	1.9
69.03436	14.4
69.07071	15.6
71.04991	5.0
73.02916	5.7
81.03421	34.1
85.02908	49.9
86.09693	2.2
87.00835	14.7
94.58210	1.2
97.02894	31.0
99.04446	22.3
103.03923	9.5
105.01872	11.1
109.02882	70.3
109.06281	1.1
111.11739	2.7
127.03916	100.0
129.01859	10.5
129.12773	3.1
137.05998	1.5
141.05539	1.3
145.04947	18.4
147.02905	5.2
147.13826	1.9
159.02934	13.8
163.06006	2.6
163.29881	1.2
169.04977	1.7
175.07581	1.7
176.07803	1.7
176.72144	1.4
177.04042	1.3
187.06049	2.0
213.03922	11.5
213.12343	1.6
231.04988	27.4
249.06065	4.9
273.05948	2.2
291.07111	13.4
303.20901	1.4
357.08054	2.7
365.73770	1.5
375.09244	12.0
393.10287	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	539.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
69.38995	0.5
70.87677	0.5
99.13499	0.6
115.10915	0.5
120.56269	0.6
136.53290	0.6
148.45531	0.5
177.18541	0.5
203.05270	1.2
229.00528	2.1
306.25525	0.5
539.31958	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38148	0.5
68.69544	0.6
81.07068	0.7
95.08617	0.9
121.10146	0.7
146.22404	0.6
154.13762	0.7
185.04233	0.8
272.94235	0.8
305.24683	1.4
322.27338	1.2
521.44061	0.9
539.31995	100.0
552.86560	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	539.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.8
55.01869	11.7
55.05514	4.4
57.03428	2.9
57.68720	2.0
66.64297	1.8
67.05514	4.9
69.03426	46.8
69.07068	14.2
70.55766	1.8
71.04980	4.6
73.02908	9.2
75.04085	2.0
79.05476	9.6
81.03429	40.2
81.07054	36.4
85.02908	100.0
85.06522	3.7
87.00842	35.7
91.03914	2.9
91.05507	2.4
93.07040	18.5
95.08150	1.9
95.08619	25.4
97.02883	32.9
97.10161	3.0
99.04454	19.3
105.01865	26.4
105.07047	5.1
107.08611	30.8
109.02874	40.8
109.10136	20.6
114.09177	2.3
117.01888	3.5
119.08572	9.1
121.10154	17.9
123.11694	13.7
127.03915	79.4
129.01837	11.7
131.08536	3.5
133.10129	10.2
135.11694	16.8
137.02420	3.5
137.13280	3.5
138.39224	2.0
145.04955	19.7
145.10106	3.8
147.00937	1.9
147.02934	3.2
147.11694	10.5
149.13286	23.2
159.02888	27.1
159.11725	9.1
161.13228	8.8
163.14853	16.9
175.14796	3.1
177.16386	3.5
187.14648	2.0
189.03859	3.3
189.16447	2.4
231.04982	12.8
273.25729	3.4
276.41965	2.1
289.25189	10.1
291.26773	37.0
429.09509	3.1
432.99860	2.2
435.32471	3.3
485.28506	2.6
521.31091	11.4
539.32214	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	539.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95171	1.9
55.05524	4.9
57.03444	4.3
57.07076	5.4
58.44422	1.8
62.25898	2.0
67.05510	23.7
69.03451	4.3
69.07082	17.1
70.06590	9.5
71.05013	3.6
79.05490	5.7
81.03407	2.1
81.07060	48.7
83.04990	3.6
83.08614	5.4
84.08143	2.6
85.02907	11.7
85.06553	100.0
86.09717	3.6
91.05490	5.3
93.07049	35.5
93.93870	2.4
95.05001	3.1
95.08611	47.5
97.02912	2.6
97.06553	4.5
99.08109	3.4
105.07030	15.2
107.08604	26.4
109.06530	4.3
109.10148	35.4
111.08070	10.3
117.05489	12.7
119.08555	20.0
121.10140	30.5
123.08096	2.8
123.11713	14.8
125.09625	11.1
131.08519	2.6
133.10143	22.6
135.11700	30.3
137.09625	5.7
139.11110	4.4
144.65152	2.7
145.10130	4.3
147.11691	22.5
149.13266	11.4
153.12689	2.4
155.10597	3.7
157.12225	3.7
159.11665	19.0
161.13240	10.3
163.14856	10.3
165.12779	3.0
169.12239	9.4
173.13275	2.9
175.14836	10.7
177.16399	2.5
187.14799	4.6
189.16391	11.0
211.13478	2.5
211.16913	10.3
213.16325	4.2
229.17953	3.8
231.05298	2.5
234.80481	2.5
243.11220	2.7
269.22617	3.5
287.23666	9.1
293.08563	4.4
293.24908	3.2
305.24780	22.5
323.25781	22.6
341.26898	32.1
345.19305	3.0
359.27905	66.6
384.04031	2.8
504.83224	2.4
521.33386	3.9
539.19116	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	539.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07065	1.0
86.91679	0.7
93.07032	1.5
95.08577	0.7
98.04481	0.6
107.08568	1.1
109.10164	2.6
133.10220	0.8
159.11638	0.8
163.80743	0.8
253.87563	0.7
317.17984	1.6
479.35110	4.2
491.70087	0.8
539.37073	100.0
540.64423	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	539.373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	10.1
57.07091	8.3
67.02521	4.1
67.05523	34.0
69.07077	49.8
79.05491	10.0
81.07078	44.3
83.08614	10.6
91.05492	6.7
91.61945	4.5
93.07067	38.0
95.08614	76.8
97.10171	5.7
105.07047	19.7
107.08609	67.4
109.10163	74.1
111.04451	7.2
117.07011	5.0
119.08564	60.1
121.10180	62.6
123.11678	16.9
131.08574	22.6
133.10130	40.1
135.11722	19.9
143.08537	20.9
145.10149	50.4
147.11714	34.5
149.13202	7.9
150.90169	4.2
155.08513	4.8
157.10141	27.1
159.11642	36.2
161.13196	18.0
169.10123	10.9
171.11649	39.8
173.13286	19.1
175.14885	9.4
181.10170	9.8
183.11751	19.2
185.13287	20.2
187.14787	9.8
193.10211	6.4
194.10980	6.0
195.11642	32.1
197.13252	21.7
199.14856	21.5
201.16414	5.3
206.40788	4.8
207.11665	17.7
209.13225	27.3
211.14880	20.3
212.45074	4.9
213.16385	19.7
221.13380	5.2
222.14218	5.5
223.14781	8.1
225.16321	15.9
227.17984	17.6
233.13344	5.6
235.14838	10.7
237.16414	52.8
239.17839	8.3
251.18042	18.8
253.19508	8.8
255.17589	6.5
263.17905	6.7
265.19464	7.7
275.17792	5.9
277.19528	8.4
289.19870	5.2
291.21075	9.3
292.21945	8.1
293.22690	8.3
297.18765	5.9
339.23123	5.8
345.25888	6.0
391.33646	8.7
401.32010	48.2
419.33057	32.6
461.34192	100.0
479.35208	63.1
493.19354	5.3
521.36102	27.6
539.29266	14.5
539.37122	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	540.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25808	0.5
59.12200	0.6
65.96039	0.5
69.03426	2.6
70.06602	2.5
71.76339	0.5
72.08134	0.6
73.48753	0.5
80.05476	0.5
84.04533	0.5
84.08152	1.1
85.02917	1.0
86.09673	0.7
97.02895	100.0
106.02917	8.8
109.02873	6.6
115.79475	0.6
120.08074	0.7
124.03951	6.8
132.50804	0.6
141.05463	0.8
185.05524	0.8
191.70091	0.6
220.06079	13.0
221.73238	0.6
231.41261	0.6
238.07092	3.5
254.06477	0.7
275.08960	0.8
336.12405	0.7
400.12372	20.1
473.07590	0.7
540.17578	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	540.2339
Annotation	Lys-Met-Met-Met
Peak:m/z	Relative Intensity
51.00090	0.8
55.05503	0.8
57.21756	0.8
60.05645	1.2
70.06590	1.2
80.34692	0.8
83.08624	4.7
86.09683	4.2
91.05486	4.6
93.07058	1.1
93.77722	0.8
101.58326	1.0
111.08086	1.7
118.60775	0.9
119.04919	9.3
120.08083	1.9
123.04459	2.1
130.06535	17.6
132.04457	4.0
132.08095	2.0
136.07581	100.0
136.11592	1.0
139.07545	1.9
156.10249	1.2
157.07607	55.3
157.08887	2.1
158.06020	25.0
159.09152	11.6
165.05394	3.5
175.08641	29.9
185.07120	6.2
186.05531	9.6
192.10063	1.0
194.45110	0.9
203.08150	62.1
204.06635	1.4
221.09230	9.8
256.13409	3.8
274.14380	18.3
277.13354	1.2
279.14972	1.4
292.15402	5.4
297.15875	6.5
320.14984	4.0
341.14807	1.1
359.15866	5.4
444.36871	0.9
476.21719	5.4
478.23273	12.2
494.23010	9.8
504.21109	5.0
522.22394	30.3
540.23120	13.2
540.31000	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	540.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98543	0.6
54.44369	0.6
70.06587	2.8
75.13876	0.6
82.86864	0.7
83.08605	3.7
84.08134	0.8
86.09713	1.0
91.05466	4.4
93.07071	1.5
97.02936	0.8
98.56960	0.7
107.04921	0.8
111.08080	1.8
119.04950	6.4
128.13675	0.7
129.10303	1.0
130.06523	14.6
132.04454	1.7
132.08081	3.8
134.38586	0.7
136.07578	86.4
137.05977	7.2
139.07570	1.1
147.04402	2.8
151.07614	1.6
157.07602	58.8
158.05984	14.8
159.09195	9.7
165.05482	5.0
175.08646	19.9
182.08072	1.1
185.07103	6.7
186.05481	8.0
189.09105	3.1
192.63081	0.9
203.08148	100.0
204.06590	1.0
208.09763	0.9
219.10132	9.9
221.09242	4.1
226.98073	0.7
256.13388	1.7
259.47427	0.9
274.14337	13.2
277.13300	1.5
279.14899	1.2
292.15363	4.4
295.14474	1.2
297.15909	1.8
311.15057	1.2
320.14780	1.7
323.13791	0.8
331.15424	3.1
341.14856	1.6
359.15753	1.5
424.13858	0.8
476.21658	3.3
478.23184	7.8
494.22665	4.1
504.21204	1.7
522.22351	39.6
540.23450	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	540.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06599	1.5
83.08638	3.3
91.05479	4.4
95.08585	1.1
102.05613	0.8
109.06470	0.8
109.10249	0.8
111.08099	3.3
118.51886	0.7
119.04952	7.3
123.04443	1.4
130.06522	18.5
131.06093	0.7
132.04443	1.9
132.08051	1.3
136.07585	100.0
137.05998	3.3
137.96103	0.7
139.07603	1.1
146.05959	0.8
156.10187	1.8
157.07608	60.5
158.06012	23.2
158.07982	1.0
159.09178	10.9
165.05467	3.9
175.08650	32.9
182.08267	0.8
185.07129	7.4
186.05489	11.1
203.08156	59.0
204.06583	1.0
204.08528	1.2
221.09238	8.6
256.13287	3.9
274.14398	15.6
277.13376	1.7
279.14871	1.5
292.15384	6.1
295.14380	3.6
297.15857	6.0
313.15540	0.8
320.14862	4.5
341.14810	1.6
359.16025	4.7
432.22415	0.8
448.22263	0.9
476.21625	4.7
478.23441	12.4
494.22797	14.7
504.21240	4.3
513.32892	0.9
522.22412	34.9
540.23401	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	540.244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99479	0.2
60.37388	0.3
69.03414	0.3
70.06590	0.5
85.02905	4.1
97.02874	0.7
127.03886	0.4
129.06982	1.8
130.29816	0.3
131.08572	3.1
137.05998	2.9
138.06239	0.3
141.06987	1.4
145.06361	0.4
151.07613	0.5
157.06500	4.0
158.07251	1.2
159.08041	5.9
161.28519	0.3
163.07451	0.4
169.06464	2.5
174.06744	5.7
175.07509	2.9
185.25041	0.3
186.06740	1.5
189.09103	29.2
191.10648	3.0
201.09108	9.8
207.10190	0.5
214.95267	0.3
217.41591	0.3
219.10158	100.0
234.04604	0.3
237.11218	1.6
264.90649	0.3
331.15549	0.4
334.03198	0.3
349.59070	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	540.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44677	0.8
53.03959	5.8
55.01865	1.3
55.74022	0.8
57.03426	1.3
59.83995	0.8
64.66000	0.9
69.03439	14.8
73.02929	1.8
81.03430	18.8
85.02910	50.9
85.90015	0.9
87.00844	11.7
95.08587	1.4
97.02898	21.7
99.04456	19.7
103.03954	18.1
105.01875	9.6
109.02883	55.6
127.03914	100.0
129.01868	6.7
145.04965	14.4
147.02939	2.2
155.26277	1.3
159.02913	6.0
163.06003	1.4
169.04915	2.3
187.06000	2.2
213.03961	11.4
229.07329	1.6
231.04965	15.3
249.05997	2.2
291.07251	8.3
326.91125	1.1
344.79736	1.1
357.08322	2.5
375.09283	26.0
375.14014	1.4
393.05658	1.8
393.10275	30.2
496.77548	1.0
505.23111	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	540.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	7.0
55.01872	2.7
60.10979	1.4
61.02924	1.9
63.65658	1.4
69.03434	15.8
69.77825	1.3
71.04964	1.9
73.02895	3.0
81.03423	37.6
85.02908	51.8
87.00826	21.6
97.02890	33.7
99.04457	27.3
103.03942	11.3
105.01861	28.3
109.02875	92.4
127.03905	100.0
129.01843	8.4
144.18492	1.4
145.04971	16.8
147.02872	5.6
159.02904	19.2
163.06020	3.1
175.70044	1.4
176.87608	1.5
195.96179	1.4
213.03943	13.8
231.04993	32.4
231.63432	1.3
249.06122	12.5
253.07126	2.1
273.06088	1.9
291.07034	6.2
357.08243	7.1
371.04977	1.5
375.09238	17.3
393.10193	37.6
399.53442	1.4
505.22751	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	540.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	8.4
55.01874	4.1
55.05536	1.0
57.87706	0.9
61.02932	1.5
67.21185	0.9
68.99797	1.2
69.03434	16.5
69.07058	1.2
71.04984	5.6
73.02917	5.5
81.03426	39.1
82.77610	0.9
85.02909	50.5
87.00831	19.7
95.08614	1.1
97.02901	34.1
99.04457	25.7
103.03950	13.0
103.96992	0.9
105.01869	26.8
109.02883	85.1
111.11720	1.8
127.03918	100.0
129.01823	9.4
129.12750	1.8
145.04971	15.9
147.02881	5.1
159.02884	19.9
163.06003	5.1
169.04950	1.8
173.61282	0.9
187.05998	2.0
213.03941	17.3
231.04973	25.5
239.35179	1.0
249.06082	8.8
253.07132	4.3
273.05957	1.0
291.07114	5.7
339.62021	1.0
357.08127	5.8
375.09195	12.0
393.10229	34.6
487.21027	1.3
505.22565	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	540.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17441	0.9
53.00308	1.2
53.03946	1.3
55.05510	5.9
57.07078	16.1
58.41198	0.9
59.04993	2.3
69.03424	5.3
69.07070	63.9
71.04979	5.7
71.08633	12.3
73.06558	9.9
81.03432	2.6
81.45712	1.0
83.08617	1.6
85.02427	1.6
85.02906	26.2
85.10173	7.4
89.06030	39.1
92.21485	1.7
97.02876	10.8
99.04454	10.3
103.03946	36.1
107.42735	1.1
109.02889	5.1
111.11717	100.0
114.18342	1.0
119.62529	1.1
121.13805	1.2
127.03914	39.9
129.12752	85.4
145.04974	16.3
161.21512	1.1
163.05988	10.1
199.16953	18.9
217.17999	37.8
289.09061	1.5
307.10129	8.3
402.20602	1.2
510.11572	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	540.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	5.7
55.71175	2.0
57.07081	14.0
67.33484	1.9
69.03436	9.4
69.07074	61.4
71.04990	8.9
71.08640	10.8
73.06554	11.0
81.03432	8.9
83.08627	2.5
85.02908	31.5
85.10219	2.5
87.00854	2.2
89.06030	43.4
97.02888	16.3
99.04445	13.2
103.03948	42.4
109.02853	4.3
111.11720	100.0
118.90103	2.2
119.40835	2.2
127.03919	45.7
129.11812	3.6
129.12756	85.1
129.13681	4.7
145.04936	11.9
163.06000	16.9
168.01166	2.5
199.16876	18.2
217.17976	32.6
228.99870	2.3
258.70477	3.0
261.75806	2.5
293.00815	2.8
307.10178	10.2
564.97168	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	541.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
61.87830	0.5
74.06094	2.4
87.09798	0.6
107.93645	0.6
112.02509	1.0
124.02438	0.7
129.96199	0.6
130.03490	2.7
134.06624	0.9
139.81285	0.6
142.03514	4.8
143.01935	2.5
155.01909	0.7
158.03023	0.9
160.04558	24.0
161.02946	1.6
167.01906	0.7
173.02962	0.9
176.63664	0.7
178.05621	9.8
181.04546	1.1
185.02927	7.0
197.03052	1.1
199.05626	5.8
199.07028	2.5
202.00558	0.6
211.05551	1.5
211.62672	0.6
215.04028	1.3
217.06586	100.0
227.04010	1.2
229.06743	0.7
235.07762	4.1
241.06725	5.1
245.05043	15.9
253.06760	1.2
259.07687	23.8
263.06204	2.7
271.07608	4.6
289.09479	0.9
301.08838	1.2
305.39844	0.7
319.09924	7.9
343.09805	1.3
361.10965	9.1
379.12048	17.5
407.10715	0.9
421.13177	3.1
523.16357	3.8
541.17328	25.9
565.58295	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	541.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93361	0.6
60.05656	1.0
70.06597	3.9
72.08169	0.8
74.02415	0.6
76.02240	1.0
84.05634	1.0
86.09727	0.8
101.01730	15.5
112.05094	34.4
113.04224	0.7
116.02798	0.8
118.04398	3.1
122.06030	13.4
123.06787	1.0
124.07587	5.6
127.08762	0.7
136.07605	5.4
138.05547	3.5
138.09142	21.4
140.06956	0.8
144.02280	1.2
146.03842	23.0
150.05577	0.8
156.04800	3.8
164.07048	23.5
166.05095	1.3
170.05579	3.9
177.03300	7.8
182.08119	15.3
187.08273	1.3
192.00084	0.6
197.07568	1.0
203.04935	3.5
204.04367	12.4
219.05467	18.6
221.07011	11.0
243.11287	5.6
257.12839	6.4
258.11340	1.7
268.91797	0.8
276.12418	0.7
285.12271	12.1
286.10837	2.8
303.13412	6.0
304.11810	7.1
391.04633	0.7
523.19482	1.3
525.03998	0.8
541.20789	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83358	2.3
51.83289	2.3
55.05519	3.3
57.07094	11.8
61.91168	2.2
67.05515	13.2
69.03446	5.5
69.07092	14.7
70.06606	14.5
72.08144	5.2
74.06075	3.1
78.69535	2.4
79.05511	4.8
81.07062	53.8
83.08643	5.0
84.08143	3.5
85.02924	9.9
85.06548	100.0
86.09710	6.5
91.32128	2.5
93.07032	24.0
95.08608	32.6
97.06552	3.7
99.04513	3.0
99.08121	10.6
102.05572	3.5
105.07061	4.1
105.11634	2.2
107.08612	24.6
109.10162	42.9
111.08084	10.3
111.11748	3.4
111.76483	2.2
112.08749	2.5
113.09667	13.7
115.03364	2.7
119.08577	10.7
121.10136	24.1
123.11715	32.2
125.09647	4.7
129.10262	5.4
133.10175	13.4
135.11687	27.8
137.09554	2.6
137.13318	12.9
139.11211	6.1
147.11708	12.8
149.13223	25.1
153.12766	4.7
155.10666	2.6
157.12256	10.9
159.11719	4.2
161.13252	5.7
163.14825	13.9
173.13354	4.2
175.14882	11.6
177.16449	5.3
189.09090	4.1
189.16365	3.0
190.09390	3.4
191.17889	5.0
193.15862	2.7
208.09845	3.5
211.16908	6.1
219.10248	15.4
220.10562	10.7
229.18115	11.9
262.17575	3.2
289.25439	3.5
295.26370	10.7
298.72391	2.8
307.26373	13.0
313.27484	6.2
325.27277	37.3
325.30786	3.5
343.28397	83.9
361.29544	4.5
505.33704	17.9
523.34491	3.5
531.13745	3.0
541.19977	5.0
541.26306	82.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.213
Annotation	Unknow
Peak:m/z	Relative Intensity
60.18252	1.2
84.16745	1.4
91.05483	2.0
93.07037	2.8
94.06591	1.9
111.08115	5.6
122.06064	3.1
136.07594	3.4
138.05560	1.7
138.09161	2.5
140.03406	1.7
140.07101	2.6
146.88271	1.4
152.10747	2.9
154.04909	1.6
154.08633	1.7
162.09138	31.2
163.07591	2.1
166.08687	3.2
180.10207	44.3
190.08638	11.6
208.09677	68.0
215.08174	1.8
215.37624	1.5
257.09091	1.7
267.11441	1.7
269.09433	1.7
275.10321	3.4
281.09219	7.2
283.10800	2.5
285.08820	5.8
293.09158	2.3
299.10413	2.3
303.09772	8.7
309.08984	2.5
311.10199	12.7
313.11914	1.8
319.15967	1.8
325.11862	7.4
327.09949	11.0
329.11505	2.4
335.12399	11.0
337.08386	2.6
346.15594	2.1
352.33487	1.6
355.09589	2.0
371.12186	2.8
386.14874	1.8
415.90222	1.8
492.17780	2.3
510.18784	18.7
524.20526	3.1
536.53101	1.6
542.21320	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	542.281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79181	0.4
53.76453	0.4
56.68785	0.4
57.02565	0.5
57.03443	0.7
58.33644	0.4
59.05026	0.4
61.71480	0.4
63.29541	0.4
69.03434	3.1
73.02929	1.2
81.03414	0.6
81.07084	0.5
85.02914	11.4
87.00835	25.5
87.01373	0.9
87.04465	2.8
93.07074	0.5
97.02900	100.0
105.01878	18.4
109.02890	0.9
109.22284	0.5
111.89954	0.5
115.03930	2.8
127.03941	4.4
133.04977	1.0
134.91603	0.5
138.38622	0.5
140.53543	0.5
145.04994	1.0
183.02942	0.6
201.03951	33.1
210.18593	1.0
219.05029	13.6
231.05020	2.3
236.07674	0.9
249.06105	0.7
345.08188	7.4
363.09161	7.2
459.05164	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	542.281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30073	1.1
53.03967	1.6
55.01861	3.4
57.03445	2.2
59.05035	1.5
61.02943	3.1
69.03439	25.5
71.04984	3.1
72.97555	1.3
73.02912	8.5
75.04451	2.2
77.17322	1.2
77.70485	1.2
81.03426	24.0
83.04980	7.4
85.02905	100.0
87.00826	39.1
91.11700	1.1
92.21325	2.6
95.26746	1.5
97.02892	51.6
99.04464	15.9
99.77219	1.4
101.02398	1.4
101.99868	1.4
103.03979	1.4
105.01205	2.4
105.01865	67.3
109.02872	37.3
111.04447	12.3
127.03920	86.2
129.01810	6.4
130.61949	1.4
145.04980	27.6
145.53001	1.5
146.24059	1.7
147.02895	2.4
159.02901	18.1
169.04814	1.7
181.50461	1.6
189.03986	2.4
213.03947	6.3
219.31552	1.5
231.05011	24.0
237.07494	14.4
249.05974	15.3
252.98405	1.5
262.05414	1.6
273.06046	7.0
334.10822	2.1
341.08591	3.1
348.91129	1.6
359.09729	12.8
377.10684	11.6
395.11612	3.1
409.59799	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	542.281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79181	0.4
53.76453	0.4
56.68785	0.4
57.02565	0.5
57.03443	0.7
58.33644	0.4
59.05026	0.4
61.71480	0.4
63.29541	0.4
69.03434	3.1
73.02929	1.2
81.03414	0.6
81.07084	0.5
85.02914	11.4
87.00835	25.5
87.01373	0.9
87.04465	2.8
93.07074	0.5
97.02900	100.0
105.01878	18.4
109.02890	0.9
109.22284	0.5
111.89954	0.5
115.03930	2.8
127.03941	4.4
133.04977	1.0
134.91603	0.5
138.38622	0.5
140.53543	0.5
145.04994	1.0
183.02942	0.6
201.03951	33.1
210.18593	1.0
219.05029	13.6
231.05020	2.3
236.07674	0.9
249.06105	0.7
345.08188	7.4
363.09161	7.2
459.05164	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	542.281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44406	0.3
53.83786	0.3
57.03434	0.6
57.81264	0.4
68.99796	0.4
69.03428	3.6
73.02954	0.5
79.32683	0.4
81.03414	2.1
81.07066	0.7
83.00284	0.4
85.02903	12.2
85.04740	0.4
87.00830	26.9
87.04454	3.0
93.07098	0.4
97.02892	100.0
97.10148	0.5
99.04424	0.9
105.01869	18.0
109.02877	2.2
109.10149	0.6
110.47928	0.4
111.04489	0.4
115.03951	3.1
127.03939	3.6
133.05006	0.6
145.05005	0.9
154.12302	0.6
169.29135	0.4
196.16930	0.8
201.03926	30.5
219.04980	15.4
231.04991	0.9
236.07654	2.4
290.08139	1.0
304.05945	0.8
318.07663	2.1
319.08347	7.0
319.53671	0.4
334.10742	10.3
345.08136	5.9
363.09106	7.5
542.18115	3.4
542.26263	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	542.38
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32536	1.0
53.23196	0.9
53.43411	0.9
56.05040	2.8
60.73217	0.9
63.87780	1.1
69.07086	1.5
77.44976	1.0
92.20987	1.4
97.10159	1.2
109.10154	6.8
109.68759	1.1
111.08078	1.9
125.09646	1.9
125.32148	1.2
137.09581	2.6
153.13885	2.5
154.12273	100.0
168.13919	3.8
170.11809	4.6
171.14919	52.8
181.17029	2.8
182.15405	62.3
185.16473	1.9
199.18060	15.2
205.26331	1.1
212.19923	1.2
319.23846	1.8
323.23212	5.3
333.25061	1.3
337.24911	6.0
341.24377	34.0
355.25937	47.9
369.27573	14.0
387.98373	1.3
459.93185	1.3
547.45947	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	542.38
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32536	1.0
53.23196	0.9
53.43411	0.9
56.05040	2.8
60.73217	0.9
63.87780	1.1
69.07086	1.5
77.44976	1.0
92.20987	1.4
97.10159	1.2
109.10154	6.8
109.68759	1.1
111.08078	1.9
125.09646	1.9
125.32148	1.2
137.09581	2.6
153.13885	2.5
154.12273	100.0
168.13919	3.8
170.11809	4.6
171.14919	52.8
181.17029	2.8
182.15405	62.3
185.16473	1.9
199.18060	15.2
205.26331	1.1
212.19923	1.2
319.23846	1.8
323.23212	5.3
333.25061	1.3
337.24911	6.0
341.24377	34.0
355.25937	47.9
369.27573	14.0
387.98373	1.3
459.93185	1.3
547.45947	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	542.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23270	3.1
54.45220	3.0
55.01854	4.1
55.05526	30.2
55.26984	3.1
57.03450	7.2
57.07068	5.3
67.05508	54.8
69.07067	19.5
79.05482	23.5
81.07057	55.2
83.08615	38.9
91.05476	7.2
93.07051	8.9
95.08605	42.5
97.10178	98.4
100.18377	3.4
107.08614	28.4
109.10150	19.8
118.12192	3.7
119.08567	6.0
121.10141	9.2
123.11717	6.1
125.09626	97.5
133.51471	4.3
135.08069	5.8
171.10168	6.2
189.11208	54.6
193.34747	4.0
213.89252	3.8
214.90024	4.4
227.12773	79.0
245.13776	84.5
263.23691	4.8
279.10617	3.8
317.67126	3.8
337.27377	100.0
376.99454	4.5
402.36783	3.8
507.36823	62.8
542.41437	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	543.132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65271	0.5
52.46158	0.6
58.11605	0.7
71.91274	0.6
79.81751	0.6
89.80339	0.6
97.20259	0.8
112.15063	0.7
140.73196	0.7
162.04256	1.7
189.42479	0.7
217.06624	1.1
218.06847	1.4
219.06255	7.7
261.07693	1.7
363.10971	1.0
380.48340	0.9
381.07666	1.5
543.13098	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71489	2.4
50.81922	2.8
55.05527	23.9
57.07078	17.0
69.03429	5.6
69.07076	81.7
70.06559	3.5
71.08633	13.4
75.23216	2.9
83.08624	47.9
83.74581	2.8
84.08186	3.3
85.02917	49.7
85.10172	18.4
85.59231	3.0
86.09685	3.1
92.21043	8.6
97.02880	13.2
97.10178	100.0
99.04444	2.9
109.02896	5.3
110.28527	3.0
111.11723	73.3
125.13277	5.2
127.03922	21.8
145.04939	14.3
177.05440	4.3
185.19037	92.2
203.20094	59.8
418.96964	3.2
470.18112	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	545.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09788	0.5
58.27458	0.6
66.03809	0.5
69.03431	1.2
73.29935	0.6
77.70166	0.5
81.03424	1.2
81.07070	0.6
93.26684	0.6
95.08599	0.9
109.06523	0.8
130.06487	0.7
132.08073	1.5
134.77931	0.7
137.06046	1.2
137.83234	0.6
140.76044	0.6
141.30028	0.6
145.25842	0.5
159.09166	13.4
170.06154	0.8
173.97133	0.7
180.33319	0.6
185.04222	4.8
188.07074	3.9
214.29234	0.7
233.08423	0.6
277.13379	0.8
295.14365	1.2
313.15549	0.7
341.14993	1.0
374.56680	0.7
375.18472	0.6
439.22964	1.1
441.21027	1.1
499.23315	2.9
501.23087	9.9
527.22620	1.4
545.22089	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	545.2393
Annotation	10-Deacetylbaccatin III
Peak:m/z	Relative Intensity
67.05510	0.7
81.07052	3.1
93.07043	1.3
95.04951	1.0
106.19881	0.5
109.06521	9.2
112.07608	0.7
118.06520	2.1
119.04851	0.6
127.07565	1.0
130.06519	7.1
132.08083	9.7
137.05984	19.2
137.87624	0.6
142.06586	0.7
144.08066	2.5
146.06010	10.5
154.08630	0.9
157.07549	0.6
159.09177	100.0
160.07524	0.8
168.15050	0.5
169.07571	3.1
170.05981	5.6
182.08432	0.7
183.09215	0.9
185.07118	6.4
187.08662	5.6
188.07071	29.2
205.09737	3.3
209.07085	0.6
211.08667	3.1
217.08514	0.5
236.10658	0.8
249.14142	0.7
250.12294	1.0
260.10648	2.6
267.15015	1.0
271.12161	0.6
277.13339	9.7
278.11734	1.1
283.12344	2.3
295.14407	20.2
313.15427	14.3
323.13873	5.0
341.14954	7.7
382.17734	2.8
405.66943	0.6
481.22278	1.3
499.23401	24.1
509.21634	0.6
527.22900	14.0
545.16077	0.8
545.23956	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	545.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80487	0.2
53.18769	0.3
56.83129	0.2
56.96322	0.2
63.15909	0.2
78.43629	0.3
79.51044	0.3
81.07061	0.4
83.04391	0.3
83.08622	1.4
85.02928	0.4
86.09708	0.5
90.18169	0.4
95.08572	0.4
130.06517	6.4
132.08070	2.1
142.06535	0.5
144.08012	0.4
146.06004	1.7
156.10252	0.3
157.07600	36.7
158.06032	0.7
158.08002	0.5
159.09175	32.5
165.96495	0.4
170.06024	2.0
175.09676	0.4
185.07089	1.5
186.05492	1.4
187.08658	1.6
188.07056	2.7
203.08150	100.0
204.08466	1.3
269.10593	0.3
279.14804	2.4
297.15933	7.5
315.17007	3.4
325.15485	1.6
341.14761	0.4
343.16425	2.2
499.23065	0.5
501.24802	0.3
517.24646	0.4
545.23737	22.7
545.32605	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	545.2395
Annotation	10-Deacetylbaccatin III
Peak:m/z	Relative Intensity
66.71500	0.7
78.94895	0.7
81.07053	5.2
83.79102	0.7
86.47731	0.8
93.07040	0.8
95.04984	1.9
95.25140	0.7
109.06529	7.0
118.06516	1.2
130.06529	8.4
132.08064	11.5
137.05971	13.2
142.06519	1.0
144.08044	1.4
146.06027	9.8
150.58762	0.8
159.09183	100.0
160.07561	1.0
169.07674	1.3
170.06032	6.3
171.38248	0.7
185.07097	4.7
187.08656	4.2
188.07092	22.9
205.09731	3.8
211.08739	1.0
222.09189	1.0
241.09924	1.0
249.13779	1.1
250.12091	1.1
260.10764	1.2
267.14774	1.0
271.12253	1.1
277.13348	9.9
278.11795	1.8
283.12204	1.1
293.61984	1.0
295.14426	17.7
313.15475	9.6
323.13876	4.9
341.14822	7.4
382.17502	4.2
499.23468	28.1
527.22888	20.2
545.23883	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	545.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05041	0.2
60.04547	0.5
69.07076	4.7
70.06600	0.8
72.08160	0.8
75.05604	1.1
83.43717	0.2
84.08168	1.0
86.09712	100.0
87.05609	1.4
92.00087	0.2
102.05558	0.4
112.03970	5.1
120.08128	0.3
129.10245	0.5
130.05035	0.4
133.06088	7.9
139.05064	0.8
141.06653	0.4
143.11804	8.9
146.97417	0.3
161.62917	0.2
169.06064	6.3
174.96899	0.5
187.07178	0.5
188.98518	0.3
198.96986	0.3
199.18082	0.3
200.98567	0.7
207.98744	0.2
216.98088	0.3
217.74707	0.2
224.13991	0.4
224.98483	1.3
229.11879	1.0
234.23146	0.3
234.99078	1.4
236.14047	0.3
246.14481	10.9
254.14958	4.0
272.16046	5.1
291.01639	2.6
300.15552	18.8
321.07965	0.5
333.02762	1.2
385.24490	1.1
413.23947	15.8
416.25253	0.3
441.12048	1.0
459.13113	1.2
509.27283	0.2
510.72543	0.3
527.28235	0.4
545.28290	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	545.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69877	0.9
56.05044	2.0
58.06596	2.5
64.96841	1.1
67.56768	1.0
69.07075	1.1
70.06588	18.9
72.08162	2.5
74.06076	23.5
84.04502	6.0
84.08148	6.5
86.09703	43.4
87.05611	1.4
88.05941	1.0
101.07147	23.3
113.07119	1.8
114.05528	2.3
115.05050	4.7
116.07091	51.4
120.08088	1.1
124.11240	1.1
126.09071	1.1
129.10233	7.1
130.08650	10.2
131.08194	1.0
136.07602	1.1
141.06607	1.4
142.08801	1.3
142.12297	12.3
143.11769	7.2
149.77580	1.1
153.10313	1.6
157.09644	1.6
159.07620	8.7
162.07550	1.3
167.08202	2.2
169.13380	4.5
170.09238	8.7
171.11295	5.0
181.09775	1.3
185.09238	4.7
187.14406	100.0
197.12862	1.8
198.08778	2.7
199.10759	13.1
199.14474	1.8
201.12376	1.3
210.12384	1.8
213.38995	1.2
215.13853	9.4
216.09816	13.1
217.11911	4.8
228.13582	1.2
243.17148	4.3
254.11131	1.2
256.12930	9.4
266.08932	1.2
281.12369	4.7
299.13550	1.9
313.15027	9.8
331.16248	1.6
394.21048	3.7
402.23236	5.2
410.35269	1.2
412.21881	22.9
430.22955	41.8
527.28259	25.2
545.28961	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	545.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60825	0.3
56.53757	0.4
69.03444	0.4
69.07067	0.5
77.49171	0.4
85.02900	0.7
92.21146	0.5
97.02882	0.7
107.08585	0.6
118.70200	0.4
125.94386	0.4
143.74901	0.4
145.02831	6.0
150.81200	0.4
157.07645	2.4
159.09183	3.5
177.05463	12.5
203.08147	8.1
242.49620	0.4
295.90134	0.4
383.27579	0.6
453.88928	0.5
515.32074	1.8
545.32953	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	546.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06595	2.2
70.24277	0.3
72.08139	0.3
72.43091	0.2
73.78143	0.3
84.08112	0.5
86.09694	2.5
110.07086	0.3
116.06946	0.3
137.69579	0.3
140.07024	0.6
176.01089	0.3
176.82422	0.3
201.10043	0.4
203.08345	0.3
204.06596	0.5
211.08688	0.4
227.08067	2.9
237.06593	0.4
241.09645	1.7
242.10487	1.7
243.11252	5.6
251.08038	0.6
253.09650	1.1
255.07568	3.6
267.07593	0.3
267.11169	1.1
268.09781	0.3
269.09183	5.0
270.09952	3.1
271.10773	1.4
273.08701	1.4
279.07748	0.4
281.09262	1.2
283.07132	4.0
283.10675	1.9
284.11444	0.4
285.09213	0.9
285.12305	24.9
286.09903	0.4
287.10229	1.5
293.09219	1.1
295.07132	0.4
295.10431	0.5
296.08896	1.4
297.08740	4.0
298.09509	3.2
299.10114	0.6
301.08252	1.6
301.11725	0.6
311.10202	9.7
312.10886	1.4
313.11880	4.9
314.08942	2.3
315.09711	9.7
316.10495	0.4
324.07336	0.6
325.08188	1.3
327.09842	1.1
329.11304	13.0
331.12656	0.3
339.09760	5.7
340.08157	1.3
342.08466	1.9
343.09290	0.4
357.10797	100.0
358.11584	2.6
371.12323	0.3
375.11987	0.6
389.13416	98.4
390.14117	1.7
482.18091	0.4
528.19739	0.5
546.19812	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	546.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29859	0.2
55.75521	0.3
57.07082	1.9
62.51003	0.2
69.03407	0.6
70.29597	0.3
81.03407	0.3
82.91042	0.2
85.02911	4.2
86.08756	0.3
94.19545	0.3
97.02908	1.9
99.04457	2.4
103.03949	5.5
109.02866	0.5
121.02870	0.6
121.03757	0.3
127.03922	5.5
138.05537	0.3
145.04944	1.8
149.02342	100.0
163.06012	0.7
167.03302	0.9
197.30925	0.3
205.08595	1.8
223.09650	19.9
223.45531	0.3
307.10492	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	546.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83151	1.2
51.02389	1.4
53.03954	1.6
55.05511	10.0
57.03442	9.0
57.07100	5.3
67.05511	69.2
69.07070	15.9
71.05007	1.6
73.91485	1.3
79.05074	2.2
79.05501	41.0
81.07062	100.0
83.08617	10.9
84.79343	1.4
85.02908	6.8
85.06540	2.5
91.05481	16.9
93.07044	51.5
95.01332	2.3
95.04953	1.8
95.08611	90.5
97.06519	3.0
97.10158	7.4
99.08077	2.8
105.07017	16.5
107.08599	55.3
109.10162	53.8
111.08089	1.8
113.02354	1.9
117.07019	9.3
119.08595	18.8
120.92245	1.3
121.10144	55.2
123.11717	28.4
125.09680	1.8
127.11249	1.5
131.08585	23.4
133.10144	22.4
135.11691	47.2
137.13232	7.5
141.01840	12.0
145.10144	16.7
147.11682	19.7
149.13251	25.7
153.44066	1.6
159.11656	20.2
161.13222	15.2
163.14848	22.2
165.12749	2.2
173.13266	19.2
175.14877	6.7
177.16406	2.7
187.14745	13.1
191.14275	1.7
201.16350	2.7
243.21074	28.6
261.19360	3.3
261.22137	90.6
279.23209	2.4
335.25748	37.7
353.26846	90.9
511.29010	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	546.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34953	2.0
54.54231	2.0
55.05515	11.9
57.03446	3.4
67.05509	60.4
69.07076	15.4
71.66525	2.2
76.91439	2.5
79.05501	33.7
80.95905	2.4
80.96858	2.3
81.07063	80.5
83.08622	4.3
85.02905	4.1
87.11673	2.5
91.05465	14.2
93.07047	54.7
95.01296	4.2
95.08610	69.0
97.06527	3.3
97.10162	2.8
102.05428	2.7
105.07063	20.2
107.08597	45.4
109.10158	37.3
110.90053	2.4
113.02389	2.9
117.07016	11.7
118.69818	3.3
119.08598	18.3
121.10143	55.2
123.11701	19.3
131.08580	30.2
133.10112	16.7
135.11699	38.1
137.13225	4.7
141.01833	16.8
142.47855	2.5
145.10153	17.2
147.11708	21.6
149.13245	30.6
149.71490	2.5
150.19623	2.3
151.14894	2.8
159.11685	23.0
161.13211	14.9
163.14757	21.2
165.12791	3.2
165.49617	2.5
168.61429	2.2
173.13240	24.8
175.14796	4.6
177.16342	3.2
187.14859	11.1
201.16374	4.7
221.07327	2.5
243.21089	43.9
253.94955	2.5
261.22134	96.4
269.48376	2.4
335.25760	17.6
353.26852	100.0
389.53741	2.9
408.24344	3.1
470.73465	2.5
511.28772	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	546.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
60.60353	4.6
67.05509	27.7
68.07861	4.7
77.99030	4.9
79.05518	13.0
81.07053	41.6
83.08618	9.1
91.05483	8.2
93.07047	26.1
95.08612	35.9
102.50651	5.3
107.08603	33.1
108.06633	4.9
109.10140	11.3
111.87180	5.4
119.08530	10.3
119.61337	6.4
121.10135	23.4
123.11708	5.8
131.08583	6.2
133.10132	7.5
135.11697	11.5
149.13292	8.8
159.11690	8.2
161.13278	8.0
173.13249	9.3
184.24159	6.7
243.21014	14.2
261.22128	92.4
314.09991	7.1
335.25623	10.0
337.43317	6.3
353.26874	88.6
361.00842	6.3
401.15280	10.9
402.15024	41.4
416.17007	27.9
430.18988	10.0
431.19168	57.6
443.06412	6.6
531.21259	8.1
546.23236	100.0
546.35938	50.6
566.04181	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	546.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95668	1.3
56.65272	1.3
57.07082	23.0
57.41067	1.1
57.67135	1.3
58.08979	1.4
71.08635	45.9
73.06537	1.6
75.08534	1.5
85.10184	23.6
87.04453	6.5
89.06032	100.0
91.05476	1.7
92.21156	6.0
92.21669	1.7
93.07034	6.8
95.47763	1.4
106.47097	1.4
107.04969	1.5
107.08562	2.1
119.08550	2.1
121.06512	41.2
131.48021	1.5
133.08611	24.9
135.08051	6.9
135.11673	1.9
147.08035	10.8
149.09673	5.6
163.11172	2.6
165.09116	13.0
172.08119	1.8
177.11200	6.8
177.12688	2.4
185.47810	1.6
209.11525	1.5
221.13831	2.7
247.20564	20.8
291.23212	9.7
335.25720	6.9
359.20816	1.6
403.23431	17.3
469.65924	2.1
485.34589	2.2
529.37415	93.5
546.39966	54.6
557.22888	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	547.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.8
56.43764	0.6
57.03414	0.6
60.05664	0.7
61.02916	0.8
64.94530	0.6
68.98295	0.6
69.03417	2.9
69.59225	0.7
70.06597	1.5
72.08161	2.5
73.02905	1.2
74.00678	2.5
83.08604	0.7
85.02903	8.0
86.07179	2.8
86.09706	3.0
90.01259	6.8
90.05561	1.1
91.03951	0.6
97.02887	3.4
98.03539	1.1
100.15973	0.7
102.05542	0.9
109.02859	0.9
112.05095	14.9
114.06590	0.7
120.08092	4.5
124.05077	1.0
126.05497	6.1
127.03944	1.2
129.67654	0.7
134.48746	0.7
136.67027	0.6
142.43179	0.6
144.02263	34.2
144.06557	12.6
147.04446	1.0
152.02000	0.9
152.04593	1.0
166.08676	4.7
168.07777	1.3
170.05600	6.8
175.99460	14.2
176.27243	0.6
183.08861	0.7
184.07117	3.1
191.04857	9.6
195.02599	1.1
196.07198	1.1
200.67760	0.9
203.04852	3.1
216.04396	6.9
222.03630	28.0
223.10870	3.0
233.07019	21.2
234.03625	2.5
235.02026	1.4
247.06158	0.6
294.05731	0.8
296.07269	2.4
385.12143	2.8
458.12415	1.0
547.17322	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
69.08858	0.3
74.02423	0.3
77.17120	0.3
92.21493	0.5
115.05432	0.4
118.06541	3.2
130.00908	0.5
130.06534	0.6
132.08076	2.4
143.07320	0.4
144.08080	6.0
146.06012	44.2
159.09161	5.8
160.07562	0.5
170.05988	2.3
173.54486	0.4
188.07068	100.0
200.53485	0.4
200.90559	0.4
205.09721	35.0
286.91287	0.4
299.75049	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	547.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19691	0.4
52.75532	0.3
52.85641	0.3
60.04536	0.4
70.06583	1.7
72.08133	2.4
76.05116	0.4
84.08139	0.7
86.09698	2.4
101.25797	0.4
103.49496	0.4
110.07140	2.2
118.06536	2.6
127.08679	0.6
129.10204	0.6
130.06538	0.6
130.68045	0.4
132.08080	1.8
135.40042	0.4
140.95621	0.4
144.08096	6.3
146.06004	34.4
159.09181	4.1
159.11247	1.9
169.09663	0.5
170.05957	1.5
177.09898	0.8
186.12422	0.5
188.07057	100.0
197.62088	0.4
201.39226	0.4
205.09718	37.1
214.11920	0.9
235.03394	0.4
382.20993	0.7
547.27417	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	547.255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76749	0.7
52.69328	0.7
61.74640	0.9
69.07093	1.0
72.36984	0.8
76.98441	0.8
79.05489	1.6
92.20912	1.0
96.08118	1.2
97.06538	1.3
114.52075	0.9
125.05987	4.5
130.06529	7.1
132.08109	9.5
137.19817	1.0
142.06543	3.6
143.07053	6.2
146.06064	6.6
157.07582	1.3
159.09172	100.0
160.07568	35.6
169.07590	1.0
170.06006	15.7
182.08385	2.1
185.07114	11.6
187.08667	3.4
188.07060	16.4
202.08612	40.5
219.11259	3.4
222.09129	1.5
222.12767	1.4
237.13853	8.2
238.12244	1.8
238.35597	1.0
265.13358	40.6
266.11728	3.7
283.14410	59.7
301.15500	13.2
311.13876	7.6
320.08972	1.0
325.15430	4.5
329.15009	9.0
341.48257	1.1
343.16516	41.1
370.17413	1.9
384.19128	2.1
441.22644	1.3
469.22446	1.9
487.23428	15.8
501.24802	16.6
511.28546	1.0
515.22864	12.8
529.24353	11.2
547.25385	24.6
547.33228	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	547.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	0.5
69.07066	0.6
75.33611	0.5
83.08620	3.4
84.36273	0.5
92.21524	0.9
111.08070	0.9
115.05448	0.6
130.06549	6.5
132.08080	8.4
142.06555	1.2
142.10141	0.5
143.62738	0.5
144.08084	1.1
145.70500	0.6
146.05997	10.2
157.08582	2.6
159.09164	100.0
160.07593	0.6
160.09433	0.7
164.73695	0.5
168.29695	0.6
169.07596	0.9
170.06033	6.2
171.09105	0.6
175.09715	0.6
177.05490	2.1
185.06995	0.8
187.08647	4.7
188.07054	35.1
196.07594	1.0
205.09651	3.7
250.17694	0.5
251.15471	0.7
275.94183	0.5
279.14929	9.0
283.12177	0.9
297.15945	30.9
315.17010	8.2
325.15347	4.2
343.16516	5.7
384.19110	3.8
400.18686	0.6
455.24200	0.5
501.24933	20.7
529.24457	13.6
547.25458	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	547.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	8.2
57.03427	1.2
63.21083	1.5
67.05511	31.9
69.07070	13.9
79.05496	13.4
81.06612	3.1
81.07064	60.4
83.05013	1.8
83.08633	8.9
83.62161	1.2
86.88332	1.7
91.05467	12.8
93.07037	11.9
95.08608	29.8
97.06517	1.8
97.10191	1.8
105.07040	14.0
107.08621	8.6
109.06509	2.4
109.10178	8.5
111.08003	1.4
116.77026	1.5
119.08573	14.3
121.10135	14.8
123.11699	14.9
127.07558	1.6
133.10168	2.2
135.11720	1.8
147.11685	28.7
151.15012	1.8
165.12738	7.1
206.96730	1.7
229.14415	2.2
267.15948	16.3
375.85281	1.8
547.39954	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	9.7
57.03442	1.3
57.07096	1.3
61.88533	1.0
65.03989	0.9
65.86192	0.9
67.05511	36.2
69.07077	14.0
79.05499	13.5
81.07058	62.7
83.05006	2.3
83.08620	12.2
85.06554	1.9
91.05486	10.9
93.07040	12.6
95.04994	1.8
95.08613	33.9
95.09195	1.6
97.06546	1.7
97.10186	5.3
99.08081	1.4
105.07049	15.1
106.44073	1.0
107.07967	1.5
107.08583	11.4
109.06532	2.1
109.10162	10.5
111.08120	1.3
111.11743	1.2
119.08591	12.4
121.10107	12.1
123.08119	1.7
123.11702	17.6
123.69180	1.1
131.08607	1.0
133.10150	5.1
135.11771	4.6
137.13295	2.6
141.79179	1.0
145.10149	1.5
147.11674	31.7
147.12712	1.5
149.13286	1.6
161.13335	1.3
165.12733	8.2
175.48920	1.1
187.90950	1.2
263.23767	1.5
267.15900	21.8
285.17081	1.3
315.65646	1.0
493.97159	1.3
520.01288	1.4
528.11731	1.3
529.38934	1.4
547.40118	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	547.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51493	1.1
55.05520	8.9
57.07071	1.6
57.56370	1.2
62.05107	1.3
67.05518	40.7
68.94102	1.3
69.07067	15.5
71.04997	1.7
74.12756	1.4
79.05499	17.2
81.07064	60.4
83.04973	2.0
83.08633	7.2
85.06572	2.0
85.82527	1.5
86.10276	1.2
91.05451	11.9
92.21567	1.8
93.07040	18.1
95.08607	35.2
97.06537	1.9
97.10174	2.8
99.08144	2.1
105.07034	21.4
107.08604	11.4
109.06496	1.6
109.10143	10.2
111.08113	1.5
117.05527	1.6
119.08570	18.1
121.10132	13.0
123.08084	2.8
123.11713	17.0
133.10156	5.8
135.11713	2.5
145.10184	2.1
147.11691	27.0
157.07631	1.6
165.12770	6.3
229.14369	1.5
267.15909	23.1
285.17340	1.5
377.85788	1.4
444.75656	2.2
547.39978	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	10.7
67.05511	51.7
67.76114	2.1
69.07070	14.2
79.05508	17.5
81.07071	72.1
83.04979	3.2
83.08611	10.5
83.51981	2.2
85.06539	2.4
86.26230	2.2
91.05463	12.1
92.20956	2.3
93.07050	15.2
93.62643	2.2
95.08614	35.7
97.10188	3.6
99.26350	2.1
105.07044	20.7
107.08606	13.3
109.10149	14.0
111.09224	1.8
119.08588	13.6
121.10158	15.1
123.11706	20.5
133.10172	2.5
135.11678	2.0
147.11681	34.6
165.12724	4.3
245.22978	2.3
263.23816	2.4
267.15903	24.7
349.56091	2.5
511.27209	2.4
529.38995	2.3
547.39899	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08418	0.2
51.37037	0.2
58.09688	0.3
62.00178	0.2
63.89014	0.3
79.53320	0.3
90.97334	0.3
96.03018	0.3
103.25514	0.3
125.07008	0.3
133.82428	0.3
146.06001	0.4
159.09155	3.0
160.09492	1.9
188.07013	0.6
189.07379	0.3
291.81491	0.3
292.09610	2.1
297.16092	0.4
298.16245	1.1
320.09164	100.0
354.48889	0.3
502.25165	1.2
530.24738	0.4
548.22742	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	548.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08418	0.2
51.37037	0.2
58.09688	0.3
62.00178	0.2
63.89014	0.3
79.53320	0.3
90.97334	0.3
96.03018	0.3
103.25514	0.3
125.07008	0.3
133.82428	0.3
146.06001	0.4
159.09155	3.0
160.09492	1.9
188.07013	0.6
189.07379	0.3
291.81491	0.3
292.09610	2.1
297.16092	0.4
298.16245	1.1
320.09164	100.0
354.48889	0.3
502.25165	1.2
530.24738	0.4
548.22742	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	548.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.6
55.05519	12.3
57.03442	3.3
57.07076	13.3
58.93997	2.1
67.05241	2.4
67.05518	42.8
69.07069	22.0
69.61681	2.3
71.08624	8.9
72.01303	2.0
79.05493	12.5
81.07066	80.7
83.08628	23.8
85.02898	2.4
85.10230	2.2
91.05489	5.3
93.07063	16.3
95.08607	83.0
97.06515	4.8
97.10175	18.8
105.07033	14.0
107.08591	15.1
109.10162	41.2
111.08125	2.9
119.08572	10.4
121.10117	26.9
123.06005	2.6
123.11697	27.3
125.09672	3.7
133.10141	14.8
135.11668	17.5
137.13257	10.3
141.01822	13.4
147.11708	15.4
149.13260	16.9
151.14798	4.8
157.46101	2.5
161.13269	16.4
163.14806	12.4
165.16382	4.2
175.14838	13.6
177.16393	4.4
179.17981	2.7
185.06110	2.5
189.16400	2.4
227.01724	14.4
234.71281	2.5
236.03915	2.7
245.22653	55.6
250.61197	2.7
263.23669	100.0
265.25140	4.1
269.02676	2.4
276.19711	2.6
281.24747	4.0
337.27341	38.5
355.28491	25.0
409.21701	2.9
507.25299	5.3
513.30542	3.3
548.41425	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	548.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	12.6
57.03440	4.0
57.07076	13.9
66.46452	1.9
67.05514	54.8
69.07070	29.0
71.08625	4.6
79.05492	13.2
81.07063	97.6
83.08611	24.3
85.02908	4.8
86.13917	1.9
89.78484	1.8
91.05482	10.0
93.07059	22.8
95.01309	2.3
95.05030	2.2
95.08611	89.8
97.06528	9.2
97.10162	20.8
99.08118	3.2
105.07030	11.1
107.08595	21.2
109.10157	61.0
111.11708	4.9
117.17365	2.2
119.08577	17.4
121.10155	28.7
123.11713	30.0
129.05472	2.1
133.10121	25.3
135.11679	15.5
137.13261	13.7
137.29173	2.1
141.01840	9.1
147.11676	18.4
149.13251	13.8
151.14813	8.6
155.14275	2.5
161.13228	17.6
163.14792	13.6
165.16405	3.9
175.14827	9.9
179.17874	3.9
189.16377	3.1
219.49533	2.4
245.22610	49.8
263.23697	100.0
273.50433	2.6
281.24719	3.2
337.27338	63.2
355.28351	33.5
513.30597	18.5
548.40704	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	548.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85205	1.0
55.05512	5.8
57.03446	18.3
57.07066	1.1
61.02915	2.0
66.61036	1.3
67.05510	24.1
69.07069	7.8
71.04985	2.7
79.05498	26.4
81.03429	1.2
81.07062	42.7
83.04961	1.6
83.08614	8.4
85.02932	4.9
85.06567	2.8
91.05486	18.8
93.07044	44.2
95.05014	1.4
95.08614	36.7
97.02892	3.2
97.06521	2.5
97.10156	2.8
99.08092	2.7
105.07016	25.4
107.08594	35.8
109.06527	1.5
109.10152	17.9
111.08054	2.8
112.97583	1.3
117.07013	10.4
119.08569	25.7
121.10146	32.8
123.08096	1.8
123.11689	3.1
125.44766	1.4
127.03856	1.6
129.07043	2.7
131.08548	15.2
133.10106	26.4
135.11687	25.5
137.09659	2.1
143.08521	2.4
145.10133	17.9
147.11710	18.6
149.13255	14.4
157.10138	3.3
159.11673	14.8
161.13188	11.9
163.14836	2.9
167.41829	1.2
171.11703	5.6
173.13240	6.3
175.14841	5.3
177.12747	1.7
182.15390	1.7
185.13231	5.9
187.14850	7.9
196.16991	5.9
199.14932	2.2
201.16370	2.9
205.15834	5.6
219.17366	2.0
241.19467	7.6
259.20544	25.9
269.17468	2.8
271.90314	1.4
277.21597	12.8
277.46432	1.4
311.21835	1.6
333.24173	5.6
351.25296	100.0
369.26294	2.7
477.28125	1.7
495.29630	2.1
513.30389	11.4
548.44043	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	548.343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27040	2.1
50.75328	1.8
50.91519	1.8
51.70854	1.7
51.77991	1.6
55.05514	9.5
57.03450	3.8
61.02945	3.3
67.05518	42.0
69.03446	2.7
69.07078	12.9
73.34145	1.9
77.24066	1.9
79.05505	22.6
79.49361	2.1
81.03435	3.8
81.07065	37.2
83.04966	3.1
83.08625	12.6
85.02898	5.3
91.05464	15.5
93.07050	35.1
95.08625	30.0
97.02906	4.9
97.06540	3.7
97.10174	11.8
101.81487	2.2
102.55930	2.1
104.30738	2.2
105.07035	20.8
105.74384	2.2
107.08599	33.2
109.10152	36.5
117.07056	4.0
119.08577	19.1
121.10152	18.1
123.11709	4.4
125.09631	9.4
127.03886	3.3
131.08585	10.1
133.10162	21.5
135.11694	22.0
143.08586	3.4
145.10132	9.0
147.11682	32.1
149.13280	5.2
155.73419	2.5
157.10089	3.4
159.11665	5.2
161.13271	13.0
171.11607	2.6
173.11810	3.4
173.13188	3.2
175.14816	4.3
179.14313	3.4
185.13223	2.5
189.11221	3.0
227.12866	3.4
229.14339	14.8
241.19400	3.4
259.20593	14.7
277.21606	20.2
336.12387	3.3
351.25327	100.0
369.26404	10.7
513.30835	2.9
547.58130	2.9
548.18713	21.6
548.37793	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	548.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	8.5
57.03450	14.1
61.02912	2.5
62.62907	1.3
67.05515	23.1
69.03407	1.5
69.07056	8.1
71.04995	2.1
79.05489	25.9
81.03452	1.8
81.07056	42.5
83.02747	1.3
83.08622	7.9
85.02895	2.1
85.06559	1.5
85.60042	1.3
90.08845	1.4
91.05479	21.8
92.21544	1.7
93.07045	40.5
95.08607	28.6
97.02886	2.5
97.06536	3.7
97.10189	1.7
99.08081	7.0
105.07035	22.7
107.08594	34.1
109.06547	1.6
109.10179	16.9
111.08060	3.3
117.07010	8.6
119.08577	33.2
121.10147	35.2
123.11735	1.9
125.09645	2.9
129.07071	3.0
131.07089	1.9
131.08588	17.7
133.10121	29.5
135.08061	1.8
135.11679	21.0
139.11166	2.2
143.08562	6.6
145.10115	18.2
147.11681	16.9
149.13246	13.4
151.11185	2.7
157.10165	3.7
159.11700	15.7
161.13222	13.5
163.11147	1.9
163.14752	2.2
171.11684	6.2
173.13275	3.5
175.14864	6.1
177.12816	2.0
179.14326	3.6
185.13263	7.3
187.14758	12.7
199.14804	3.0
201.16425	2.9
205.15823	2.0
241.19511	8.8
259.20493	23.5
277.21613	29.1
322.10712	2.7
333.24326	2.2
336.12167	5.6
351.25278	100.0
369.26184	6.1
372.08533	2.2
373.09479	2.3
374.10468	6.7
386.10223	7.7
403.24921	1.9
421.25656	9.1
439.26715	1.9
456.17960	11.1
484.17465	3.0
502.18613	17.2
513.30237	3.2
520.18909	2.0
530.18646	11.7
533.48151	1.6
548.18463	1.9
548.26068	3.3
548.34851	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	548.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	11.9
69.07073	3.2
81.07066	13.2
83.04944	2.3
83.08607	2.8
91.05473	2.3
93.07030	4.4
95.08609	18.3
97.66254	2.0
104.86934	1.7
105.07053	14.8
107.08612	21.5
109.06482	2.1
109.09435	3.7
109.10155	73.6
119.08575	18.6
121.06496	1.8
121.10123	10.9
123.08067	2.1
123.11733	2.2
129.07062	2.2
131.08559	16.0
133.06502	13.9
133.10123	12.7
135.04417	27.5
135.08070	8.0
135.11690	3.6
145.10118	26.4
147.11726	7.1
149.05977	62.7
149.13329	2.4
151.07564	3.3
157.10069	9.2
159.08037	9.2
159.11658	17.4
161.13367	3.8
169.10153	4.4
171.11639	9.0
173.09570	4.2
173.13287	10.8
175.11154	12.1
175.14824	8.1
177.09077	2.9
183.11742	3.1
185.13246	8.4
187.14807	70.9
189.16322	3.8
195.09029	2.1
197.13330	4.1
199.14825	3.8
201.16368	7.4
205.15875	3.2
211.14844	2.5
213.16461	3.8
215.14308	66.5
229.15941	2.9
233.15337	40.3
377.28317	4.6
399.30322	3.3
408.51404	2.0
417.31345	23.0
435.32483	24.9
437.30542	7.6
453.33743	2.5
477.33627	77.2
484.87164	2.6
495.34686	100.0
496.67407	2.1
513.35608	12.2
548.38983	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	548.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84797	2.8
59.96004	2.5
64.62386	2.4
67.05505	13.1
69.07084	3.8
72.33282	2.5
73.02889	2.9
79.05494	4.2
81.07050	16.4
83.08645	3.4
85.02901	17.3
88.98672	3.0
91.05441	3.8
92.20943	6.0
93.07043	4.9
95.08622	29.4
97.02876	3.6
105.07027	14.3
107.08578	12.6
107.21491	2.8
109.10158	50.1
112.12897	2.8
117.06968	3.5
119.08582	19.9
121.10168	12.5
123.08039	3.9
123.11687	4.3
123.40826	3.4
131.08583	15.4
133.06480	14.3
133.10112	15.0
135.04411	16.7
135.08043	11.4
135.11656	5.4
145.10124	40.8
147.11684	11.7
149.05960	47.8
149.09569	4.0
149.13269	5.7
154.38020	3.3
157.10167	3.7
158.37473	2.9
159.08101	5.7
159.11652	12.8
161.13252	7.3
163.07561	3.3
169.10101	3.8
171.11674	6.3
173.09615	11.9
173.13145	4.5
175.14838	3.2
177.16374	4.3
185.13324	3.9
187.14816	52.4
197.13205	4.2
198.83990	3.7
199.14790	3.7
201.16400	3.1
205.15843	14.9
211.14775	5.8
215.14302	68.1
233.15292	37.4
253.80354	3.0
301.07025	4.7
344.62286	2.7
352.15240	3.6
353.24664	5.3
364.96426	3.4
395.29492	3.4
417.31589	11.3
435.32590	100.0
440.97177	3.2
453.33575	74.1
471.80389	3.2
495.34854	21.1
548.25732	3.7
548.38116	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	549.124
Annotation	Peonidin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
56.96441	0.2
69.03429	0.3
70.06610	0.3
81.03407	0.3
83.87164	0.2
84.04378	0.2
85.02907	0.8
86.09699	0.3
99.04438	0.3
113.75559	0.2
127.03955	0.3
145.02858	0.3
153.01781	1.1
153.05534	0.3
163.19995	0.2
175.33070	0.2
177.05473	1.8
241.04959	2.9
245.08238	0.3
269.04431	8.0
286.04688	8.8
301.07065	100.0
326.33960	0.3
432.91278	0.2
463.12314	0.4
549.12396	9.3
549.20770	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	549.1239
Annotation	Peonidin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
55.01834	0.1
56.18838	0.1
57.03423	0.1
58.57034	0.1
67.23747	0.1
67.39719	0.1
69.03442	1.4
71.81135	0.1
78.34098	0.1
81.03432	1.1
82.70792	0.1
85.02906	2.0
87.00790	0.6
97.02824	0.7
98.74609	0.1
99.04399	0.3
105.01836	0.3
109.02907	1.4
112.70164	0.1
121.02866	0.2
127.03920	1.7
137.06053	0.1
143.48174	0.1
145.04921	0.6
149.96393	0.2
153.01863	0.2
158.07758	0.1
159.02847	0.5
177.05380	0.2
179.03410	0.2
193.71170	0.1
231.05016	0.2
241.04996	0.6
243.44176	0.2
245.08215	0.2
258.05264	0.2
269.04401	0.8
286.04703	5.2
301.07068	100.0
343.08154	0.6
355.73254	0.1
386.39426	0.2
423.18201	0.1
463.12372	0.9
483.48254	0.2
549.12439	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	549.1237
Annotation	Peonidin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03948	1.1
55.01873	0.8
57.03439	0.8
61.02921	0.3
65.97398	0.2
66.92372	0.1
67.36015	0.2
69.03439	3.5
71.04986	0.2
72.55328	0.1
73.02908	0.9
81.03424	4.7
84.24091	0.2
85.02909	6.1
86.01750	0.2
87.00822	3.3
91.03941	0.3
97.02890	2.2
99.04446	1.7
105.01885	1.5
108.38902	0.2
109.02877	3.8
117.01852	0.9
121.02866	0.3
127.03906	4.3
129.01811	0.3
145.04936	1.0
159.02884	2.5
167.65742	0.2
231.04932	0.2
248.88026	0.2
282.98340	0.2
286.04703	0.9
291.06189	0.2
298.46426	0.2
301.07050	100.0
413.57123	0.2
549.12390	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	549.1234
Annotation	Peonidin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03947	0.5
54.80711	0.2
55.01876	0.5
57.03442	0.2
57.60626	0.2
61.02937	0.3
68.84712	0.3
69.03431	3.0
71.04970	0.3
73.02900	1.0
75.76351	0.2
76.47764	0.3
81.03425	4.7
85.02905	5.6
87.00845	2.4
97.02905	2.4
99.04453	1.3
105.01880	1.7
109.02889	3.5
111.80741	0.3
117.01848	0.5
117.45564	0.3
127.03899	5.1
145.04941	0.5
157.07477	0.3
159.02905	2.4
159.09232	0.3
179.03470	0.3
231.05034	0.4
286.04684	0.6
301.07059	100.0
310.83447	0.3
549.12244	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1239
Annotation	Peonidin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
50.76975	0.2
53.03955	0.8
55.01878	0.9
56.96268	0.2
57.03444	0.3
61.84021	0.2
65.36549	0.2
68.99772	0.3
69.03432	3.7
71.04983	0.4
73.02907	1.0
73.77699	0.2
81.03422	4.4
85.02902	6.2
87.00824	2.9
93.45245	0.2
97.02884	2.5
99.04453	1.8
105.01863	1.6
109.02884	4.6
117.01858	0.3
127.03913	5.2
129.01846	0.7
145.04977	1.3
159.02908	2.6
176.09868	0.2
227.70639	0.2
231.04959	1.0
286.04736	0.9
300.06299	0.3
301.07050	100.0
317.63342	0.2
331.78625	0.2
379.57834	0.2
448.48718	0.2
452.57483	0.2
483.99747	0.2
549.12274	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	549.1234
Annotation	Peonidin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03952	0.5
55.01862	0.3
57.03439	0.2
59.48659	0.2
61.02921	1.0
64.78602	0.2
69.03439	3.8
71.04981	0.3
81.03420	2.6
85.02908	5.6
87.00829	2.0
97.02894	6.9
99.04462	2.0
102.59303	0.2
105.01879	0.6
109.02880	2.3
119.81644	0.3
121.02878	0.4
127.03902	2.4
129.13800	0.2
145.04933	2.2
145.61827	0.3
149.49507	0.2
167.03413	0.3
227.63780	0.3
260.93707	0.3
286.04630	1.1
301.07053	100.0
541.04779	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	549.1238
Annotation	Peonidin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
51.22688	0.2
53.03947	0.5
53.06152	0.2
55.01877	0.9
57.03438	0.3
61.02931	0.4
68.99776	0.2
69.03432	3.1
71.04986	0.4
73.02908	1.0
76.22262	0.2
81.03423	4.1
85.02915	5.6
87.00833	2.4
97.02908	2.8
99.04451	1.5
105.01859	1.4
109.02887	3.9
111.19804	0.2
117.01748	0.2
127.03926	3.8
129.01883	0.4
129.21626	0.2
145.04955	1.5
147.02933	0.2
147.28514	0.2
149.96712	0.2
159.02904	2.1
167.08858	0.3
192.09810	0.2
193.73276	0.2
207.93874	0.2
231.04945	0.4
265.60321	0.2
286.04785	0.3
301.07056	100.0
549.12744	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	549.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63569	0.2
55.01870	0.2
65.37454	0.2
66.09518	0.2
69.03437	0.5
70.06584	0.4
72.08148	0.2
73.02891	0.3
76.77163	0.2
79.33749	0.2
81.03413	1.0
85.02916	2.2
86.09713	0.3
87.00829	0.9
97.02905	0.7
99.04433	0.4
105.01873	0.3
109.02881	1.1
122.14954	0.2
125.55768	0.2
127.03920	1.1
131.35458	0.2
137.05974	0.3
150.54584	0.2
158.35585	0.2
159.02892	0.4
167.06931	0.3
177.05490	0.4
193.48216	0.2
217.09760	0.2
258.05191	0.4
261.56213	0.2
286.04724	9.7
301.07065	100.0
390.73141	0.2
549.12067	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	549.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.1
57.03429	0.2
60.57876	0.1
61.02938	0.1
69.03426	0.3
70.06606	0.1
71.05000	0.1
81.03409	0.6
85.02892	0.8
86.27089	0.1
87.00823	0.4
97.02866	0.2
99.04463	0.1
105.01878	0.2
109.02896	0.4
127.03916	0.4
137.02336	3.9
137.05885	0.1
139.03879	0.1
139.50734	0.1
147.04449	0.1
149.02356	0.1
149.04848	0.1
159.02837	0.2
163.03891	0.1
165.05379	0.1
189.05380	0.1
191.03381	0.5
192.04135	0.1
193.04945	0.1
197.05946	1.2
199.04071	0.1
211.07559	0.2
213.05450	2.1
215.03290	0.1
225.05493	0.7
227.07007	0.4
231.06599	0.2
239.07011	0.1
240.04016	0.1
241.04939	8.9
245.08058	1.1
255.06505	1.8
257.07947	0.1
268.03632	0.2
269.04440	14.5
273.07712	0.6
283.06009	1.7
286.04697	2.8
301.07056	100.0
328.09872	0.1
398.82382	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	549.1602
Annotation	Puerarin xyloside
Peak:m/z	Relative Intensity
53.03950	0.2
55.01862	0.3
60.20684	0.2
60.55569	0.2
63.69454	0.2
67.40557	0.2
68.77070	0.2
69.03429	1.1
73.02892	0.3
74.28262	0.2
79.05476	0.3
81.03425	1.2
85.02914	3.5
87.00835	1.4
97.02888	1.3
99.04466	0.8
103.03942	0.2
105.01859	0.8
105.03330	0.2
106.04185	0.5
109.02889	1.3
116.99396	0.2
123.04430	14.4
124.05206	0.3
127.03925	1.7
129.01813	0.3
134.03630	1.3
135.04453	0.4
145.04970	0.4
147.04424	5.2
152.04695	4.0
159.02879	0.9
163.03891	2.8
165.05493	0.5
167.07036	100.0
179.07092	1.0
185.05916	0.2
189.05510	0.2
191.07031	5.5
192.07831	0.8
201.09047	0.2
207.06535	1.2
226.06221	0.3
241.08551	2.0
269.08063	1.8
270.08905	1.1
271.06024	0.3
273.11142	1.8
286.08304	1.2
299.09000	0.8
301.07074	15.7
301.10712	33.8
325.10849	1.5
335.07443	0.3
343.11655	1.4
367.11905	1.5
371.09641	0.8
391.11731	0.5
407.80234	0.2
409.12512	0.3
430.47290	0.2
513.13763	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	549.1602
Annotation	Puerarin xyloside
Peak:m/z	Relative Intensity
53.03950	0.2
55.01862	0.3
60.20684	0.2
60.55569	0.2
63.69454	0.2
67.40557	0.2
68.77070	0.2
69.03429	1.1
73.02892	0.3
74.28262	0.2
79.05476	0.3
81.03425	1.2
85.02914	3.5
87.00835	1.4
97.02888	1.3
99.04466	0.8
103.03942	0.2
105.01859	0.8
105.03330	0.2
106.04185	0.5
109.02889	1.3
116.99396	0.2
123.04430	14.4
124.05206	0.3
127.03925	1.7
129.01813	0.3
134.03630	1.3
135.04453	0.4
145.04970	0.4
147.04424	5.2
152.04695	4.0
159.02879	0.9
163.03891	2.8
165.05493	0.5
167.07036	100.0
179.07092	1.0
185.05916	0.2
189.05510	0.2
191.07031	5.5
192.07831	0.8
201.09047	0.2
207.06535	1.2
226.06221	0.3
241.08551	2.0
269.08063	1.8
270.08905	1.1
271.06024	0.3
273.11142	1.8
286.08304	1.2
299.09000	0.8
301.07074	15.7
301.10712	33.8
325.10849	1.5
335.07443	0.3
343.11655	1.4
367.11905	1.5
371.09641	0.8
391.11731	0.5
407.80234	0.2
409.12512	0.3
430.47290	0.2
513.13763	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	550.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93534	0.8
62.61991	0.5
70.06601	1.0
72.93784	3.5
84.87620	0.6
85.02905	1.1
85.43392	0.5
86.09720	1.4
88.35715	0.6
90.94814	0.6
91.05476	5.2
103.05485	2.5
112.28085	0.6
120.08103	76.3
126.05546	0.9
131.04942	0.8
141.08971	0.7
149.00511	4.3
149.06055	0.9
152.96500	0.8
164.99982	4.1
165.17693	0.6
166.08636	22.0
166.97870	1.4
176.01576	74.6
176.12596	0.6
178.03093	0.8
178.97887	1.0
179.62587	0.7
180.99463	4.2
183.97949	0.6
189.99503	2.9
190.97868	3.9
190.99582	0.5
192.01083	15.1
193.98889	0.8
194.02519	1.3
206.99800	0.6
208.00533	1.4
208.98926	0.6
220.00566	9.5
222.02119	15.9
230.83153	0.8
232.02922	3.9
238.01604	45.3
248.02399	1.0
294.02808	0.7
321.06790	7.6
323.08475	1.5
339.07828	9.3
349.06204	1.5
367.07376	7.1
370.27878	0.7
385.08441	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
61.47777	0.6
69.03430	0.8
75.11332	0.6
81.03441	4.6
85.02895	3.1
85.91130	0.6
86.09718	1.1
96.92717	0.6
97.02893	1.0
99.04420	1.2
109.02860	1.5
114.66393	0.6
117.03381	2.5
120.08054	0.9
127.03908	1.1
129.10220	0.9
145.02846	27.7
149.05975	0.9
173.54718	0.6
177.05466	100.0
195.06537	1.0
217.07913	0.6
283.52316	0.7
301.07034	7.0
302.07388	10.7
321.09543	2.5
339.10638	8.9
440.09299	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	550.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03088	0.3
57.76343	0.2
69.03423	1.5
70.06584	2.7
72.08125	0.3
73.43879	0.3
74.27905	0.2
81.03429	2.2
81.07069	0.5
84.08138	2.5
85.02901	2.1
86.09704	3.3
87.00790	0.3
89.03909	1.4
90.05538	1.3
92.21584	0.5
97.02874	1.2
99.04441	0.5
103.03922	0.5
104.65784	0.3
107.08626	0.3
109.02882	1.3
109.06510	0.4
110.87926	0.3
116.45490	0.3
117.03367	5.4
120.08095	0.4
121.10165	0.5
123.11678	0.4
126.34952	0.3
127.03899	1.6
129.10246	0.5
135.04376	0.4
135.08058	0.3
137.05995	0.5
143.11777	0.3
145.02846	44.9
147.11603	0.3
149.05977	2.0
155.08110	1.1
159.09219	0.5
159.70578	0.3
163.11230	0.4
177.05460	100.0
186.05527	0.4
195.06511	0.6
217.17322	0.3
236.16510	1.6
273.96918	0.3
282.16904	0.6
301.07056	10.8
302.07394	22.2
339.10712	1.8
344.07941	0.4
356.20663	3.7
374.30643	0.3
387.80872	0.3
398.11603	0.3
466.62744	0.3
522.45923	0.3
549.81903	1.8
550.12628	1.9
550.31653	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	550.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87761	0.2
69.03429	0.5
70.06604	2.1
72.08113	0.3
72.66724	0.3
73.88406	0.3
77.37026	0.2
81.03409	1.2
83.55275	0.3
84.04523	0.3
84.08180	1.0
85.02912	3.4
85.60423	0.3
86.09698	0.6
97.02882	1.3
105.34988	0.3
109.02868	0.6
117.03361	1.9
127.03978	0.4
129.10204	0.6
137.96112	0.3
145.02846	25.6
147.04402	1.5
149.04677	0.3
149.05914	0.7
177.05464	100.0
195.06526	1.6
321.09528	1.5
339.10727	2.8
371.13284	1.2
506.23193	0.4
548.18182	0.4
550.19952	0.5
550.29742	1.0
568.56250	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	550.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.2
55.05509	10.6
57.07076	2.0
61.02932	1.3
61.07110	1.1
67.05496	7.0
69.03429	8.8
69.07059	2.9
70.06599	2.9
71.05001	2.6
73.02911	2.2
79.05494	2.4
81.03410	7.1
81.07065	14.9
82.57547	1.4
83.04977	12.4
83.08607	11.2
84.08160	1.7
85.02908	69.1
85.06528	6.6
86.09708	5.2
87.04455	6.6
91.05508	2.2
93.07028	8.0
95.04964	14.9
95.08587	11.4
97.02895	22.7
97.06528	6.8
99.04446	28.9
103.03945	100.0
105.07034	11.6
107.08585	24.8
109.02883	17.2
109.06521	17.2
109.10156	36.5
111.08072	2.2
113.06030	1.5
115.03937	1.6
119.08582	19.3
121.10124	20.7
123.08073	3.1
123.11710	10.5
125.09630	6.3
127.03909	98.6
129.10248	1.5
131.08542	8.2
133.10123	50.6
135.08058	7.7
137.13275	1.8
145.04950	44.9
145.10172	6.6
147.11658	12.2
149.09549	1.7
149.13251	19.4
151.11189	19.1
151.14790	1.4
153.09050	13.3
158.10899	2.3
163.06000	48.8
163.14822	2.8
165.12721	10.6
167.14316	14.7
173.13239	27.6
175.14815	44.6
176.17027	1.4
177.05447	2.5
181.15836	1.8
187.06010	1.9
191.14310	20.2
193.15843	6.9
201.74500	1.4
205.07173	2.9
209.15359	83.1
227.16386	9.6
271.08148	3.4
289.09064	5.3
301.06815	2.7
302.07413	6.4
307.10208	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	550.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00639	1.7
55.05513	9.2
56.61388	1.9
57.03440	2.9
57.07072	2.7
59.05960	1.5
61.02940	1.7
67.05504	3.4
69.03429	13.7
69.07065	2.0
70.06599	4.5
71.04960	2.7
76.57275	2.1
79.05507	2.8
81.03425	9.8
81.07045	17.4
83.04980	14.8
83.08612	17.6
85.02909	48.9
85.06548	3.5
86.01066	1.8
86.09706	3.8
87.04449	4.1
91.05461	4.7
93.07045	11.3
95.04977	17.5
95.05527	2.3
95.08598	10.9
96.37877	2.1
97.02892	22.0
97.06528	10.0
99.04443	22.8
99.08082	2.4
99.57286	1.8
103.03954	54.1
105.07053	15.8
107.08581	22.3
109.02888	10.9
109.06541	21.1
109.10158	40.6
111.08083	3.4
115.07577	2.3
119.08580	24.8
120.08154	1.9
121.10130	21.8
123.11706	11.2
125.09595	4.6
127.02997	3.4
127.03917	80.1
131.08592	11.8
133.10127	53.8
135.08073	4.8
135.11731	3.0
145.04990	26.5
145.10133	4.2
147.11699	15.7
149.09648	2.2
149.13264	18.4
151.11192	19.3
153.09058	7.8
158.10907	8.8
163.05995	33.7
163.14783	3.1
165.12767	2.7
167.14273	26.8
173.13258	65.6
175.14816	82.3
191.14293	29.0
193.15924	11.2
209.15372	100.0
211.13420	2.4
227.16405	11.5
276.06281	2.0
289.09134	3.4
307.10309	15.2
392.38614	2.3
444.51840	2.2
550.18872	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	550.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	0.7
55.01875	0.6
57.03448	1.0
60.75901	0.6
61.02928	3.0
61.30309	0.7
69.03443	9.1
71.04990	2.7
72.05650	0.7
73.02911	1.1
81.03412	5.7
81.07077	0.9
84.18431	0.6
85.02909	63.3
85.30019	0.7
86.27362	0.7
87.04470	0.6
91.03963	1.3
97.02898	23.0
97.06522	9.2
98.87994	0.7
99.04451	22.2
103.03950	88.5
107.08569	0.9
109.02869	9.7
109.10170	1.2
114.09142	0.7
121.10134	1.2
127.03917	100.0
145.04964	50.2
147.11725	0.7
149.13277	2.9
163.06009	50.5
187.05884	0.9
191.14365	0.8
209.15437	1.2
227.16417	4.4
261.91013	0.8
271.08075	7.7
289.09189	8.9
307.10226	45.2
470.37390	0.8
550.30127	0.9
550.41992	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	550.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22730	0.4
60.08179	4.6
74.32744	0.5
86.09711	25.0
95.04975	0.6
101.06629	0.6
104.10737	6.3
110.12624	0.5
115.29643	0.6
122.40629	0.5
125.00021	10.5
138.05476	0.9
184.07338	100.0
207.13617	0.5
208.05806	4.6
320.08966	1.0
338.13437	0.9
452.26144	11.2
532.30145	0.7
550.31335	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	550.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58218	1.7
60.08164	10.9
61.99949	1.7
86.09718	29.4
104.10754	77.7
107.61157	2.1
125.00012	13.5
184.07344	100.0
292.01276	2.2
320.09363	2.9
545.56781	2.4
550.31317	53.8
550.38342	4.7
561.66296	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	550.41
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	5.4
57.07080	3.4
67.05515	26.8
69.07062	25.3
79.05498	9.0
81.07066	47.0
83.08618	5.0
91.05482	5.3
92.21136	8.6
93.07063	27.1
93.20544	3.4
95.08616	52.5
97.10152	6.2
103.88614	3.8
104.89233	4.5
105.07061	29.6
107.08611	48.3
109.10162	100.0
119.08595	51.9
121.10121	43.4
123.11723	19.7
131.08569	16.9
133.10132	36.4
135.08060	9.3
135.11711	15.1
143.08574	9.7
145.10139	50.8
147.11685	32.5
149.13293	7.3
157.10110	28.5
159.11674	32.8
161.13275	18.6
163.14929	7.3
166.88972	3.5
169.10155	6.4
171.11691	22.1
173.13232	17.9
175.14804	26.5
177.16336	6.5
183.11607	5.1
185.13237	19.9
187.14850	26.5
189.16359	18.2
195.11639	13.9
197.13283	7.1
199.14809	20.8
201.16304	16.4
203.17975	5.2
209.13254	4.2
211.14796	7.5
213.16406	7.2
217.15829	7.4
223.14830	7.1
225.16306	6.6
227.17984	15.2
235.17004	7.0
237.16298	7.0
251.17917	5.6
267.20831	4.0
309.22644	4.3
390.11047	4.2
401.32016	35.4
419.33090	91.7
437.34402	37.4
461.34070	15.6
479.35123	73.9
497.30130	5.7
497.36246	71.7
552.39362	4.7
553.44568	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	550.41
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84886	1.2
52.21436	1.1
55.05516	2.5
55.95744	1.1
57.07069	1.8
57.47968	1.1
61.00927	1.2
67.05498	10.1
67.97437	1.1
69.03413	1.5
69.07080	12.1
79.05521	4.5
80.08101	1.2
81.07060	36.1
83.08637	3.0
90.69699	1.3
91.05424	2.0
93.07021	12.8
95.08604	31.2
97.06528	2.5
97.10194	4.3
98.11961	1.3
99.08111	10.4
99.08656	1.3
105.07029	20.4
107.08597	33.3
109.06576	1.6
109.09440	2.1
109.10164	43.8
111.11684	1.5
111.96696	1.3
117.07033	3.0
118.73655	1.3
119.08581	28.6
121.10146	22.7
123.08067	1.7
123.11687	9.0
125.09690	2.2
129.07025	2.2
131.08565	13.7
133.10126	27.8
135.08058	23.3
135.11685	8.4
137.09572	2.6
143.08546	7.9
145.10143	27.4
147.08011	2.0
147.11691	24.5
149.09621	6.0
149.13240	9.7
157.10124	18.8
159.11667	27.6
161.09621	12.8
161.13235	10.9
163.11130	5.2
163.14804	3.2
169.10118	2.6
171.11671	14.5
173.13255	20.0
175.11194	5.6
175.14786	15.4
177.12727	4.8
177.16418	2.7
183.11671	8.3
185.13226	19.5
187.14807	42.3
187.16533	1.8
189.16391	19.8
197.13277	5.1
199.14801	20.8
201.16428	19.1
203.17946	7.4
209.13350	2.4
211.14830	6.7
213.16328	13.3
215.17975	5.3
217.15852	23.0
223.14906	1.9
225.16267	1.5
227.17923	6.4
229.15843	2.2
231.17355	12.5
235.16936	5.7
237.16223	2.9
239.17970	2.7
241.19475	6.8
253.19560	2.3
265.19547	3.1
279.21353	1.5
291.21118	1.8
293.22626	4.8
297.15677	1.5
301.07138	2.2
302.07394	6.1
319.24469	2.1
361.29025	3.2
379.29977	2.1
395.29297	1.8
397.27313	2.0
401.32034	11.8
419.33075	41.9
437.34097	31.3
461.34082	6.6
479.35172	100.0
497.29404	2.5
497.36249	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	550.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	1.0
56.05047	7.4
57.02885	0.7
60.09037	0.8
67.05511	6.2
69.07081	4.5
71.75015	0.7
79.05547	1.0
81.07090	5.1
83.08660	1.0
84.08130	0.9
85.02935	1.4
91.05508	3.5
93.07071	1.7
95.08633	5.4
97.10219	1.0
105.07050	0.8
107.08652	1.4
109.10173	7.9
111.11771	1.4
119.08628	3.2
121.10191	1.9
125.09650	1.2
133.10153	1.2
136.11288	3.5
137.09677	4.6
149.09647	0.8
149.13232	1.1
153.13945	3.2
154.12273	100.0
159.11809	0.8
166.16048	3.2
167.15515	4.9
168.13837	40.6
171.15027	4.5
182.15437	1.2
183.11674	0.9
185.16496	13.8
197.88684	0.9
209.20224	1.4
210.18521	36.2
227.21158	6.3
286.21835	3.4
287.20459	1.1
301.07126	7.6
302.07385	11.1
303.24323	12.9
304.22751	5.7
306.20560	1.2
320.09235	9.3
320.27121	1.9
321.25363	52.0
328.26602	2.8
338.28165	7.1
341.24536	4.5
345.28998	10.5
346.27737	3.9
348.25760	1.6
349.20956	1.1
362.31744	1.4
363.30042	31.6
366.26425	3.4
380.33075	3.2
405.27756	0.9
532.41229	5.4
533.39679	1.5
550.24713	1.7
550.42426	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	550.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	1.0
56.05047	7.4
57.02885	0.7
60.09037	0.8
67.05511	6.2
69.07081	4.5
71.75015	0.7
79.05547	1.0
81.07090	5.1
83.08660	1.0
84.08130	0.9
85.02935	1.4
91.05508	3.5
93.07071	1.7
95.08633	5.4
97.10219	1.0
105.07050	0.8
107.08652	1.4
109.10173	7.9
111.11771	1.4
119.08628	3.2
121.10191	1.9
125.09650	1.2
133.10153	1.2
136.11288	3.5
137.09677	4.6
149.09647	0.8
149.13232	1.1
153.13945	3.2
154.12273	100.0
159.11809	0.8
166.16048	3.2
167.15515	4.9
168.13837	40.6
171.15027	4.5
182.15437	1.2
183.11674	0.9
185.16496	13.8
197.88684	0.9
209.20224	1.4
210.18521	36.2
227.21158	6.3
286.21835	3.4
287.20459	1.1
301.07126	7.6
302.07385	11.1
303.24323	12.9
304.22751	5.7
306.20560	1.2
320.09235	9.3
320.27121	1.9
321.25363	52.0
328.26602	2.8
338.28165	7.1
341.24536	4.5
345.28998	10.5
346.27737	3.9
348.25760	1.6
349.20956	1.1
362.31744	1.4
363.30042	31.6
366.26425	3.4
380.33075	3.2
405.27756	0.9
532.41229	5.4
533.39679	1.5
550.24713	1.7
550.42426	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	551.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	20.0
57.03436	10.6
57.07075	15.2
58.98094	7.2
67.05504	46.3
69.03443	7.9
69.07072	13.7
71.08656	10.3
71.10710	6.1
71.21859	8.3
76.36245	7.2
78.85390	8.4
79.05502	50.9
81.03407	16.4
81.07044	67.8
83.04980	8.6
83.08640	9.3
84.75582	7.4
85.02908	37.8
91.05478	63.2
93.07040	100.0
95.05018	10.0
95.08592	51.8
97.10176	9.1
99.04470	8.0
105.07040	78.7
107.08587	79.5
109.02824	8.5
109.10144	18.7
115.15334	8.2
117.07015	35.6
119.08585	59.8
121.10142	49.2
129.07002	17.4
131.08563	62.5
133.10144	84.0
135.11690	40.6
143.08556	18.8
145.10158	86.7
146.65491	7.8
147.11703	45.4
149.13245	15.9
155.08623	13.7
157.10133	31.0
159.11705	43.5
161.13194	9.8
169.10139	9.2
171.11690	45.2
173.13281	33.5
183.11691	13.5
185.13220	44.7
187.14772	13.2
197.13268	12.4
209.13181	11.0
259.20535	43.5
301.21646	39.5
367.22522	50.0
385.23795	81.9
403.24750	99.3
421.25766	95.3
509.19827	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	552.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93657	0.9
62.30238	1.0
64.52301	0.9
70.06600	4.8
72.08143	1.0
77.36906	1.1
84.08160	1.8
85.02902	7.7
86.09717	2.0
88.03978	1.0
92.20973	1.2
97.02924	1.9
120.08146	1.4
129.10268	1.2
131.04529	2.3
131.45032	1.1
137.05998	16.2
139.03827	1.0
143.04913	1.7
144.45172	1.0
148.14513	1.0
149.05940	1.1
175.03909	1.6
175.07542	5.7
186.03131	1.5
187.03937	1.4
201.05493	20.5
203.07048	1.8
205.06483	1.7
206.11790	5.8
227.07123	1.6
233.05959	8.6
237.09094	9.8
247.07571	4.4
250.06248	4.1
264.07922	3.7
265.08588	36.1
266.09308	3.8
275.06796	1.0
278.05707	4.7
279.10150	4.8
282.08978	1.8
292.07352	8.8
293.04861	1.3
293.08109	43.9
297.11273	15.3
307.09641	49.2
310.08368	6.2
325.10721	70.2
343.11774	100.0
355.11874	1.1
551.79828	1.1
552.21820	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	552.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	0.2
79.95737	0.2
82.79185	0.2
84.54578	0.2
86.09721	0.9
100.97381	0.2
110.37449	0.3
112.90099	0.3
125.00031	0.3
166.99532	0.3
184.07346	3.1
199.09178	0.2
272.24442	0.2
320.09351	0.5
322.10593	1.4
334.10699	6.6
335.11365	0.4
336.12180	2.8
337.13031	0.4
348.12271	2.7
349.13104	5.1
353.72632	0.3
420.22183	0.3
434.19809	1.5
446.19461	0.5
448.21744	0.4
460.21539	0.3
462.19342	2.2
462.25394	0.4
464.20981	0.5
478.22241	11.6
508.23349	2.6
524.26624	0.4
534.24725	0.4
536.22803	13.0
537.23700	1.2
552.25946	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	552.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05394	0.4
55.05512	1.1
57.07091	0.5
60.29113	0.4
61.02927	7.1
61.75429	0.4
67.05486	0.6
69.03433	1.8
69.07069	4.9
70.06585	2.4
71.05012	0.5
72.08154	0.7
73.02905	3.3
81.03406	0.6
81.07045	2.3
83.08627	0.5
84.08128	1.9
84.60961	0.5
85.02431	0.8
85.02908	15.3
85.79288	0.4
90.05525	0.6
91.03960	9.2
91.05478	0.6
93.07019	1.8
93.47482	0.4
95.08611	4.1
97.02906	5.5
105.07043	5.5
107.08578	3.4
108.22927	0.5
109.02875	0.8
109.10155	4.0
114.09147	0.9
115.03946	0.5
119.08572	28.1
120.08186	0.6
121.10145	2.0
122.64832	0.5
123.11732	0.8
125.09652	0.6
127.03925	5.1
127.04919	0.5
129.10202	1.0
130.04933	0.7
133.10127	26.6
135.04396	0.6
135.11691	4.9
137.09595	2.1
144.06599	0.7
145.04996	5.0
145.10144	0.6
147.11702	3.4
151.14847	0.7
163.06036	5.0
175.14816	100.0
191.04820	3.8
193.06509	0.5
193.15895	5.6
213.14856	0.8
227.75031	0.6
289.09637	0.5
305.37485	0.5
325.11246	0.5
405.20425	0.9
423.21487	0.7
492.29297	0.6
552.31677	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	552.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92692	0.3
55.05506	0.7
60.85758	0.3
61.02911	0.3
61.86811	0.3
67.05520	0.3
69.07076	4.0
70.06599	0.3
79.29675	0.3
81.07046	0.7
84.08133	0.6
85.02901	1.6
86.09697	0.4
91.05488	0.4
93.07030	0.6
93.85606	0.3
95.08591	3.8
105.07055	3.6
107.08601	0.8
107.28841	0.3
109.10156	4.8
119.08577	21.4
121.10129	1.7
121.59181	0.3
129.10306	0.4
133.06143	0.3
133.10132	20.8
133.95700	0.4
135.11696	1.9
137.09628	2.6
147.11688	3.4
149.13272	0.4
151.14935	1.0
173.13246	0.6
175.14822	100.0
177.16385	0.4
185.11223	0.3
188.29839	0.4
188.82106	0.4
193.15872	13.3
270.30862	0.4
310.26370	0.4
430.40262	0.4
431.51627	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	552.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71250	1.6
55.01886	2.6
55.05523	4.2
57.03445	2.3
58.08998	1.7
59.73665	1.9
62.47817	1.5
67.05515	18.0
67.65444	2.0
69.03433	10.9
69.07072	3.1
71.05015	2.0
71.91276	1.8
73.02933	2.2
76.53480	1.6
79.05492	3.5
80.07880	1.7
81.03424	11.4
81.07066	35.4
83.08619	2.5
83.71529	1.8
85.02914	31.6
87.00831	9.9
90.01854	1.7
93.07066	3.2
95.08617	42.1
97.02893	10.0
97.10171	16.6
99.04457	4.0
99.17719	1.8
99.51557	1.8
105.01870	9.7
107.08605	7.3
109.02888	11.2
109.10150	39.9
111.08041	2.8
119.08611	2.8
121.10138	10.5
123.11720	16.9
125.09651	16.2
127.03915	21.9
132.77226	1.9
133.10159	9.5
133.89325	2.0
135.11691	10.0
137.09639	4.6
137.13301	8.9
145.05003	3.7
145.10080	2.7
149.13257	4.1
151.11174	3.0
159.02919	8.1
159.09167	2.2
159.11751	2.5
163.11470	1.9
173.11757	2.7
173.13289	2.8
177.12643	2.6
185.04156	2.4
189.35841	2.2
195.13733	2.3
205.19353	2.3
215.17993	15.8
233.18976	19.5
248.30736	1.9
251.20073	44.0
269.21115	60.2
282.12549	2.3
287.22171	100.0
302.07431	4.3
304.07852	2.3
311.97614	2.0
338.13742	2.4
375.03922	1.9
383.11627	2.0
548.35187	2.7
552.16779	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	552.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09399	0.4
55.05489	0.5
58.06598	0.9
60.08175	11.4
63.06112	0.4
64.33973	0.4
67.05491	1.1
71.07353	2.5
71.53221	0.4
76.87300	0.4
79.05493	0.6
79.24220	0.4
81.07054	2.0
86.09710	37.0
91.05428	0.4
98.98455	0.6
103.78275	0.5
103.79000	0.5
104.10751	82.3
107.08588	0.5
120.69604	0.5
123.09167	0.6
125.00006	15.9
153.01225	0.4
163.01663	0.5
165.34041	0.4
176.08342	0.5
182.01854	0.5
184.07341	100.0
215.73509	0.6
249.24156	0.4
272.64200	0.5
434.23288	0.5
452.24191	7.2
509.43668	0.4
516.30963	0.6
531.55719	0.5
534.31964	5.5
552.33002	47.9
561.64099	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	552.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06611	0.3
60.08167	5.2
60.27505	0.2
64.47240	0.2
67.05495	0.4
69.33879	0.2
71.07375	1.3
86.09710	22.4
98.08247	0.3
98.98491	0.5
104.10073	0.4
104.10748	10.6
105.93278	0.3
110.83414	0.2
120.08098	0.6
121.10120	0.3
125.00001	10.9
136.06174	0.3
136.34529	0.3
143.94403	0.2
184.07341	100.0
202.04329	0.3
212.72539	0.2
239.46526	0.3
268.47498	0.3
271.40958	0.3
274.39166	0.3
292.09644	0.3
321.09573	0.3
322.10471	0.5
334.10648	0.9
336.12180	1.2
452.23877	2.2
508.23019	0.5
534.32019	2.2
536.22205	0.4
552.25488	5.3
552.32892	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	553.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05521	1.0
69.07081	0.7
74.14792	0.5
79.05523	0.6
85.15607	0.4
85.70499	0.4
89.20205	0.6
92.21459	0.5
95.08615	0.8
103.13097	0.5
109.88280	0.5
111.56711	0.6
203.33620	0.5
209.52266	0.5
379.19119	2.2
393.20581	6.5
407.22418	5.8
408.22974	1.1
409.16849	1.9
423.18216	4.0
424.19031	1.0
434.20886	2.8
435.21609	0.8
437.19699	16.3
451.21622	4.4
452.22040	2.5
463.24854	12.6
465.18442	3.6
479.20999	0.7
480.25519	0.9
481.19379	0.9
481.26028	13.5
489.22800	4.1
491.24661	0.8
496.21017	2.9
507.23950	5.2
510.22925	0.9
517.22437	2.9
524.24799	0.6
525.24976	43.7
535.23511	2.3
553.24457	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86229	0.2
100.87165	0.3
112.35636	0.3
143.41675	0.3
154.66087	0.3
250.02637	0.3
272.38806	0.3
393.20554	2.9
406.21622	0.5
407.22391	3.2
420.23123	0.7
421.23868	5.0
422.24820	0.4
437.19736	8.8
438.20532	0.7
448.22485	1.7
449.26712	0.6
451.21313	13.6
462.24063	0.4
465.23117	1.7
466.23395	1.9
477.26602	7.7
479.24304	0.7
480.25186	1.9
493.26474	0.5
494.26599	0.5
503.24481	5.7
508.28342	1.3
509.28973	8.5
524.24249	4.4
535.27063	7.8
538.25494	1.3
553.28113	100.0
576.83191	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	553.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16547	0.3
55.50666	0.4
62.15800	0.3
69.07077	0.4
81.07050	0.5
93.07056	0.5
95.08609	0.5
98.05746	0.4
105.07043	0.6
106.65376	0.3
107.08612	0.7
109.10149	1.8
125.28027	0.3
134.83315	0.4
143.08475	0.3
143.58879	0.3
145.10127	0.5
150.03546	0.3
159.11784	0.3
203.05260	0.8
223.77350	0.4
259.07947	2.2
319.74374	0.4
352.69116	0.4
391.24667	1.7
411.25241	0.4
419.22632	0.4
437.10617	0.4
552.86316	0.8
553.29785	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	553.298
Annotation	Unknow
Peak:m/z	Relative Intensity
60.23252	0.5
65.71040	0.6
73.84029	0.6
75.56694	0.6
84.92630	0.7
85.10200	0.7
92.20972	0.6
97.17392	0.6
113.31249	0.6
114.33551	0.7
128.94348	0.7
152.77812	0.8
185.04218	0.8
273.86957	0.7
391.24393	0.9
415.73618	0.7
501.13992	0.7
535.28375	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	553.2982
Annotation	Antioside
Peak:m/z	Relative Intensity
67.64027	0.8
71.20742	0.9
74.65096	1.0
75.47862	1.0
89.56023	0.9
126.41647	1.0
147.24747	1.0
283.05280	1.0
553.29791	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	553.2984
Annotation	Antioside
Peak:m/z	Relative Intensity
57.30516	0.2
90.28786	0.3
100.57256	0.3
105.83952	0.3
107.45952	0.3
130.83653	0.3
263.45413	0.3
391.24585	2.0
513.89581	0.3
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	553.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60198	0.3
56.75832	0.5
63.69751	0.3
66.72469	0.4
100.39044	0.4
245.81010	0.5
309.48199	0.4
493.33014	3.1
539.47949	0.4
553.35016	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	553.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42586	1.9
55.05516	5.2
55.21741	2.0
62.10239	2.3
67.05511	20.3
67.24060	2.0
69.07067	11.1
78.35093	2.2
79.05496	12.2
81.07066	18.5
83.08607	5.5
91.05472	11.5
91.31545	2.4
93.07040	16.1
95.08589	20.4
97.10162	3.6
105.07018	13.3
107.08603	10.1
109.06507	2.6
109.10158	12.9
117.07009	3.0
119.08577	15.5
121.10149	6.1
123.11713	3.4
131.08565	10.6
133.10176	5.6
135.11714	3.5
143.08556	9.9
145.10127	9.7
147.11702	10.8
147.59514	2.9
149.13203	4.2
152.98560	2.7
155.08492	2.9
157.10127	10.8
159.11671	5.6
161.13228	2.7
163.11136	2.5
169.10129	4.6
171.11693	5.7
173.13264	11.6
183.11731	5.3
185.13275	10.6
197.13271	4.6
199.14761	5.6
211.14861	3.4
242.96158	3.0
248.55600	2.4
369.27823	3.4
507.23917	2.7
512.62482	2.7
517.40387	3.3
535.41217	9.0
553.42621	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	553.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	8.6
64.48655	1.5
67.05509	13.2
69.07059	9.4
79.05502	6.1
81.07059	20.4
83.08625	6.9
85.46011	1.3
91.05464	3.1
93.07034	10.3
95.05005	1.3
95.08607	20.7
97.06557	1.4
97.10194	2.1
105.07037	9.7
107.08595	11.2
109.10165	8.1
117.07035	7.1
119.08594	13.8
121.10168	9.1
123.08057	1.6
123.11729	2.4
129.07037	7.6
131.08607	9.7
133.10109	9.0
135.11728	5.1
141.06960	1.7
143.08551	10.5
145.10141	12.2
147.11716	7.0
149.13307	2.6
157.10095	10.3
159.11722	9.9
161.13266	2.8
169.10139	7.3
171.11630	9.8
173.13237	9.7
183.11716	6.8
185.13309	7.7
187.14931	5.3
189.79237	1.5
195.11566	1.5
197.13274	5.7
199.14870	6.0
201.16359	2.1
211.14917	1.9
213.16339	2.1
227.18031	2.7
241.19704	1.4
247.31964	1.6
277.21564	2.0
313.21313	2.0
339.82614	1.3
341.25012	1.4
355.26187	2.0
402.13727	1.7
517.40405	2.9
535.41772	7.9
539.81403	1.7
553.34393	3.7
553.42560	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	2.8
60.35377	1.9
63.03959	2.1
68.84351	2.5
69.87954	2.1
71.47801	2.4
81.95171	2.4
83.08623	4.8
91.05470	2.9
92.20901	4.5
116.67419	2.5
119.04931	16.1
120.08100	13.9
121.06477	3.1
130.06519	22.4
132.04482	5.4
136.07576	100.0
137.06000	60.7
138.88498	2.6
139.07529	4.6
147.04416	15.8
156.10156	11.4
157.07585	79.0
158.06020	38.4
159.09128	13.3
166.50545	2.6
175.08656	37.6
179.07019	57.0
185.07077	12.7
186.05492	16.7
196.09717	18.2
203.08173	55.4
217.09738	42.0
221.09251	4.1
226.43776	2.6
274.14359	13.9
277.13394	4.3
279.15118	2.5
334.16473	11.7
373.17584	3.6
476.21851	10.0
492.24875	13.6
494.22626	5.3
508.24249	4.4
518.22583	10.2
522.21997	5.2
536.23846	50.0
552.58832	3.2
554.24896	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	554.281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	11.5
55.01880	2.9
55.05501	1.1
57.03437	1.8
57.13200	0.6
61.02939	1.1
66.88322	0.8
68.99767	1.0
69.03439	17.2
71.04984	4.4
71.08591	0.8
73.02921	6.8
81.03426	34.4
83.04981	1.4
85.02908	53.6
87.00826	20.4
87.04456	0.9
91.03999	0.9
97.02892	38.0
99.04462	23.2
99.96301	0.8
103.03947	13.2
105.01873	24.9
108.93777	0.8
109.02885	86.6
111.04430	1.2
127.03918	100.0
129.01833	7.9
139.77211	0.7
145.04961	17.0
147.02957	5.9
147.76498	0.8
154.12219	0.8
154.18007	0.8
159.02869	19.1
163.06003	4.3
169.04976	1.2
187.06023	1.5
213.03947	19.8
231.04974	28.1
249.05984	12.5
273.06061	1.7
291.07092	8.2
327.13486	3.5
357.08224	3.8
375.09201	12.5
393.10291	34.2
417.21317	1.3
420.52609	0.9
434.20795	3.3
447.98752	0.8
490.19522	3.4
519.24402	8.9
522.22125	8.6
554.41760	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	554.281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	4.5
55.01887	1.6
58.11228	1.1
60.31701	1.2
69.03424	13.4
71.04995	1.6
71.08636	2.1
73.02915	2.2
73.07067	1.0
76.47837	1.0
81.03435	20.6
83.08649	1.3
85.02911	54.3
87.00838	11.9
97.02903	23.9
99.04462	23.0
103.03961	17.2
105.01879	13.1
109.02889	65.7
111.11661	1.3
127.03919	100.0
129.01828	6.3
134.08353	1.2
135.74313	1.0
145.04961	19.4
147.02911	2.0
147.11703	1.3
159.02892	10.0
163.06029	5.3
169.04965	1.3
187.06012	2.1
213.03918	11.6
220.91708	1.2
229.07159	1.7
231.04987	17.3
247.87735	1.1
249.06039	5.1
251.56619	1.2
291.07062	9.7
357.08206	2.6
375.09213	25.2
393.05148	1.6
393.10251	25.8
519.24152	1.8
542.06470	1.5
554.38574	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	554.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44051	1.2
53.03955	7.8
55.01871	2.0
55.05498	1.3
57.03438	2.0
60.36258	1.0
61.02917	1.9
68.99788	1.5
69.03432	19.7
69.07079	1.5
71.04972	1.8
73.02908	5.9
74.27341	1.1
81.03420	32.6
85.02907	54.1
87.00834	15.7
87.29663	1.3
97.02271	1.6
97.02888	35.8
97.10168	1.8
99.04455	24.6
103.03358	1.6
103.03946	14.4
105.01861	22.0
109.02881	83.8
127.03912	100.0
129.01842	11.2
145.04953	16.9
147.02879	5.3
149.35922	1.2
159.02872	12.6
163.05998	7.5
169.04944	2.3
180.78029	1.1
187.06033	2.8
213.03877	14.7
217.41833	1.2
231.05000	26.7
249.05870	9.2
253.06943	1.9
255.62254	1.3
273.05859	1.9
291.07059	7.1
301.14111	1.2
307.10242	1.7
357.08096	4.7
375.09073	10.5
393.10245	39.3
519.24384	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	554.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37252	0.5
53.03953	10.4
55.01874	2.9
55.05501	0.8
57.03448	1.4
61.02934	2.8
69.03432	17.1
71.04977	3.6
71.08627	0.8
73.02911	6.8
75.25839	0.7
81.03423	32.7
82.20548	0.6
83.04970	0.7
85.02905	49.1
87.00824	22.7
91.03929	1.1
95.45715	0.6
97.02889	40.2
99.04456	25.4
101.02405	0.7
103.03940	13.2
105.01152	0.7
105.01868	24.9
109.02878	86.2
115.03886	0.9
117.01835	0.7
119.03396	0.7
127.03910	100.0
129.01842	9.0
139.37547	0.6
145.04944	17.9
147.02881	5.0
151.03871	0.8
159.02879	17.0
163.06023	5.7
169.04918	2.6
187.06064	1.6
195.02852	0.9
213.03928	16.0
231.04979	27.5
249.06010	10.1
253.07060	2.8
273.05997	1.0
283.20422	0.7
291.07114	8.0
357.07956	5.2
375.09268	12.0
393.10275	29.5
417.21225	2.6
501.23349	0.8
519.24402	7.3
542.69092	0.7
554.30127	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	554.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35844	1.2
53.03952	5.7
57.03434	5.5
68.99789	2.6
69.03436	22.1
71.04980	2.5
73.02910	6.5
79.17617	1.6
81.03422	50.1
85.02910	27.8
87.00830	2.5
97.02898	39.8
99.04464	24.8
101.02377	64.0
103.03940	9.6
109.02882	81.1
119.03418	94.1
127.03916	100.0
129.01854	3.4
131.03377	7.4
133.56462	1.6
145.04930	11.4
161.04459	8.8
173.03041	2.2
173.04463	31.2
187.06071	2.2
211.59740	1.3
213.16487	1.7
227.05461	18.8
232.14429	1.7
245.06548	45.5
263.07611	5.8
305.08734	6.9
347.32333	1.8
371.09576	6.1
389.10767	12.9
407.11774	34.1
417.21136	3.2
449.48489	1.6
454.45001	2.0
512.93372	1.5
519.24390	13.3
554.19922	1.5
554.37543	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	554.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13467	0.6
53.03773	0.6
53.03963	10.1
55.01879	1.5
56.62315	0.6
56.97728	0.7
57.03437	1.5
61.02942	1.3
69.03432	18.2
71.04993	3.1
73.02935	5.5
81.03427	33.2
83.04974	0.9
85.02911	51.5
85.33133	0.6
87.00829	16.7
88.37679	0.6
92.20913	0.8
97.02895	38.9
99.04465	22.5
103.03939	9.3
105.01337	0.7
105.01875	27.0
109.02885	85.2
111.04510	0.9
115.03893	0.7
127.03922	100.0
129.01860	8.3
145.04967	16.2
147.02884	4.8
154.34711	0.7
159.02890	17.9
163.06004	4.5
169.04959	2.8
171.39479	0.8
187.06009	3.2
213.03961	14.7
214.30539	0.7
231.05005	27.5
232.47179	0.7
249.06056	10.0
253.07045	1.7
273.06058	1.6
291.07074	7.6
357.08221	3.7
375.09204	13.4
393.10300	37.2
417.21167	1.6
519.24139	8.8
554.30029	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	554.281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	11.5
55.01880	2.9
55.05501	1.1
57.03437	1.8
57.13200	0.6
61.02939	1.1
66.88322	0.8
68.99767	1.0
69.03439	17.2
71.04984	4.4
71.08591	0.8
73.02921	6.8
81.03426	34.4
83.04981	1.4
85.02908	53.6
87.00826	20.4
87.04456	0.9
91.03999	0.9
97.02892	38.0
99.04462	23.2
99.96301	0.8
103.03947	13.2
105.01873	24.9
108.93777	0.8
109.02885	86.6
111.04430	1.2
127.03918	100.0
129.01833	7.9
139.77211	0.7
145.04961	17.0
147.02957	5.9
147.76498	0.8
154.12219	0.8
154.18007	0.8
159.02869	19.1
163.06003	4.3
169.04976	1.2
187.06023	1.5
213.03947	19.8
231.04974	28.1
249.05984	12.5
273.06061	1.7
291.07092	8.2
327.13486	3.5
357.08224	3.8
375.09201	12.5
393.10291	34.2
417.21317	1.3
420.52609	0.9
434.20795	3.3
447.98752	0.8
490.19522	3.4
519.24402	8.9
522.22125	8.6
554.41760	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	554.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.8
55.05529	17.2
56.02376	1.8
57.03466	2.6
57.07076	11.2
58.31698	2.3
59.40811	1.8
61.02952	3.1
63.77472	1.8
66.95157	2.6
67.05506	12.2
69.03432	20.7
69.07072	45.2
70.76617	2.1
71.04990	3.0
72.27441	2.1
76.88197	2.1
81.03425	16.1
81.07068	37.2
83.08636	34.5
85.02915	53.6
87.00838	21.9
91.05473	4.9
92.21629	2.4
93.07063	9.4
95.08607	30.4
97.02912	18.0
97.06527	5.2
97.10168	40.1
99.04454	10.7
102.71047	2.2
105.01895	18.7
105.07011	3.2
107.08606	9.5
109.02894	28.6
109.10173	22.7
111.11758	20.5
119.08602	9.2
121.10147	23.7
123.08150	3.6
123.11697	11.9
125.09606	9.5
127.03928	47.9
131.12585	2.2
133.10112	20.5
135.11702	30.7
137.09601	4.0
137.13293	4.0
139.11203	11.4
142.57451	2.6
144.63477	2.5
145.05006	5.2
147.11609	16.8
151.11206	9.4
151.14873	4.6
153.12779	3.4
154.12306	3.0
156.91554	2.4
159.02893	5.1
161.13266	16.4
165.12755	9.7
169.12218	2.8
175.14798	9.0
177.16386	2.6
179.14294	5.3
180.32237	2.4
193.19562	3.4
213.03995	3.3
217.19518	39.7
231.05019	10.9
235.20528	30.9
253.19144	3.9
253.21643	70.3
271.22681	100.0
289.23770	41.8
355.89078	2.4
465.25040	3.0
483.25772	11.1
501.26801	11.4
568.74707	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	554.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87663	2.3
51.19794	2.5
54.68740	2.5
55.01879	2.7
55.05525	7.7
57.07076	5.8
67.05508	15.5
69.03432	16.9
69.07072	35.0
70.06596	3.4
71.05028	2.9
72.25060	3.1
75.77921	2.7
81.03413	13.2
81.07062	33.6
83.08613	26.3
85.02908	48.7
85.06516	3.1
87.00830	16.9
92.21124	5.1
93.07028	6.6
95.08606	24.1
97.02895	21.7
97.06559	3.7
97.10180	34.6
99.04460	7.2
105.01845	23.9
105.07069	7.4
107.08586	13.0
107.24750	3.0
109.02856	19.0
109.10171	19.3
111.11722	16.5
119.08589	12.3
121.10144	25.5
123.11697	7.0
123.54561	2.7
127.03942	39.5
127.41353	2.7
133.10175	11.0
135.11684	25.3
137.09612	5.2
137.13281	6.4
139.11235	4.2
145.05008	4.9
147.11670	15.6
151.11195	5.3
151.14754	4.0
153.12729	6.3
159.02943	4.1
161.13243	18.5
165.12836	9.8
175.14761	11.0
193.19540	3.5
202.49677	2.9
217.19501	30.3
231.04927	6.6
235.20514	27.4
252.65784	3.7
253.21599	64.5
268.98550	3.1
271.22653	100.0
285.23340	3.1
289.23718	40.3
303.07785	5.9
304.08176	3.5
382.08167	3.6
389.13477	4.1
501.27151	4.8
554.22614	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	554.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.5
55.05513	1.6
57.03421	0.5
57.07082	0.5
61.02935	0.9
66.27980	0.5
67.05494	0.5
69.03421	1.9
69.07072	5.2
70.06573	0.4
71.04987	2.3
79.05510	0.9
81.03404	0.7
81.07063	8.4
83.08622	5.1
85.02909	19.9
85.06539	2.1
87.04433	0.5
90.06214	0.4
91.03976	0.5
93.07054	5.4
95.08607	21.8
97.02897	6.2
97.10168	3.9
99.04423	0.5
99.08099	12.5
105.07056	0.5
107.08598	23.1
109.02872	2.4
109.10161	5.0
111.08073	6.5
113.09651	1.7
121.10137	45.8
123.11691	1.0
125.09601	3.9
127.03921	3.7
135.11668	10.5
137.13277	6.2
139.11234	1.0
142.87761	0.4
145.04976	4.6
149.13252	4.7
162.05455	0.5
163.06001	3.2
177.16379	100.0
195.17427	17.6
203.11281	0.5
213.18486	51.4
220.92976	0.4
239.01311	0.5
271.97977	0.5
325.11115	3.7
375.23694	8.6
450.63010	0.5
579.59180	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	554.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05534	2.3
60.75431	2.3
67.05487	2.9
69.03439	3.1
69.07079	9.9
69.59467	2.0
70.06596	82.7
70.06992	3.1
72.08153	2.5
73.02911	2.3
77.93615	1.9
79.05508	2.2
81.07053	23.2
83.08620	3.5
85.02906	32.9
85.06556	3.6
85.42096	2.0
86.09698	25.2
87.04466	2.4
93.07041	3.6
95.04981	1.8
95.08609	26.7
97.02901	10.5
99.08100	10.9
107.08601	27.9
109.10184	13.4
116.07092	17.5
119.08594	4.1
121.10136	46.6
123.11715	9.4
125.09620	39.8
127.03922	10.8
133.10127	2.6
135.11725	18.1
137.13261	25.0
138.09138	2.1
145.04956	7.7
149.13249	7.8
163.06044	4.0
168.10182	15.1
169.13350	25.8
173.13242	2.5
175.14803	6.6
177.16383	100.0
179.17946	7.9
180.10165	4.4
192.06548	19.8
195.17467	38.4
197.12837	9.7
208.09686	7.9
213.12321	42.2
213.18480	57.7
215.13858	14.3
243.13338	3.7
312.19217	8.8
315.09894	2.3
325.11371	9.5
347.12390	4.6
351.09799	3.5
375.23837	15.0
421.24713	3.6
439.25537	7.8
522.18457	2.6
554.21594	59.8
554.31104	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	554.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05528	26.0
55.71955	2.3
57.03440	15.4
57.07089	4.0
57.20564	2.7
59.26805	2.2
67.05511	38.8
68.93916	2.4
69.07075	42.2
71.04991	2.6
71.08624	2.6
73.72829	2.4
74.47427	2.5
76.39566	3.3
76.66547	3.0
79.05491	27.9
81.07065	64.0
82.85821	2.4
83.08630	49.7
84.96393	2.4
85.06545	3.2
91.05479	5.4
93.07043	48.0
95.08621	39.8
97.06519	19.3
97.10174	13.3
98.00876	2.5
105.07063	4.3
107.08584	41.5
109.10172	25.0
111.08088	10.6
119.08594	12.1
121.10148	28.5
123.11727	6.3
123.98826	2.4
125.13312	3.2
131.08566	5.2
133.10138	13.2
135.11702	18.2
145.10170	3.6
149.13249	36.3
159.11736	6.1
161.13286	4.7
167.14308	11.3
173.13171	4.5
237.40294	2.6
259.19016	71.7
261.22137	14.4
335.25784	35.3
353.26880	4.3
370.52737	3.1
445.36688	10.3
519.40356	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43217	0.6
56.41074	0.7
67.91807	0.6
69.07058	0.6
81.07075	1.5
85.02959	0.9
86.09732	0.8
91.05501	1.2
93.07052	1.3
95.08611	1.2
100.32442	0.7
111.08109	1.6
114.09177	9.0
115.09521	1.4
118.03066	0.7
134.09692	0.9
135.08076	0.7
136.07587	7.7
137.06013	1.3
148.07619	0.7
150.09258	1.4
152.10733	1.7
153.64749	0.7
162.09137	18.9
163.07538	0.8
168.10187	10.2
180.10193	20.6
188.07167	1.1
190.08720	4.2
194.08154	1.0
202.08781	1.1
206.08180	3.3
208.09702	32.5
218.08368	0.8
220.09789	2.7
226.08885	1.0
228.06689	1.2
230.08189	5.5
244.09673	7.3
246.07719	1.6
248.09264	2.9
254.08185	1.4
256.06326	1.1
257.07111	0.8
258.07556	5.3
270.07706	1.7
272.09305	1.2
275.08014	0.9
276.08603	9.8
282.07813	3.8
286.11005	0.9
288.08688	15.3
290.10181	1.0
296.09329	1.5
298.07321	1.3
298.10931	1.2
310.07065	1.3
314.10342	2.7
316.08176	32.8
316.11823	1.4
318.09775	1.7
324.08813	1.6
328.08450	0.8
342.09659	5.6
348.10757	13.8
352.08136	7.8
370.09235	6.6
413.24017	1.2
416.13702	2.9
505.16580	1.2
523.17023	17.3
537.19165	1.5
555.20032	100.0
555.42932	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	555.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83195	0.5
54.48790	0.5
69.07104	0.7
70.06594	1.5
71.81762	0.6
80.18983	0.6
81.03435	0.7
81.07057	0.8
85.02895	0.9
86.09739	0.9
89.06009	0.8
91.05471	1.3
93.07047	3.8
95.04961	0.9
95.08605	0.9
99.04457	0.6
107.08600	0.7
109.01814	0.6
109.02867	0.9
109.10156	1.2
111.08100	3.6
114.09214	0.7
121.06526	0.6
121.10126	0.8
123.11767	0.7
127.03933	0.7
129.10178	0.6
133.08635	0.6
134.09653	2.9
135.08057	2.8
136.07608	7.3
150.09177	1.4
152.10699	2.4
162.09138	27.9
163.07530	2.4
166.08583	0.8
168.10159	6.0
176.07092	1.2
180.10181	32.3
188.07013	0.7
190.08600	5.4
195.17566	0.6
202.08577	0.9
206.08101	1.0
208.09691	43.7
214.05000	0.6
217.01147	0.6
218.08319	0.9
220.09636	2.5
228.06578	2.4
230.08113	3.5
244.09740	5.4
246.07654	1.1
248.09274	2.5
256.06091	2.3
258.07578	4.3
260.09207	0.8
261.06549	0.7
270.07611	2.5
272.09213	1.2
272.30933	0.6
274.07178	1.1
276.08640	8.4
280.05954	0.8
282.07556	2.5
288.08664	24.1
296.09097	0.9
298.07092	1.4
306.00659	0.6
310.07080	0.7
314.10284	1.3
316.08136	41.1
318.09744	1.0
340.08279	0.7
342.09735	3.0
348.10770	19.2
352.08096	5.4
354.11722	1.1
370.09155	4.7
394.08420	0.7
415.12302	0.7
416.13510	0.7
447.45267	0.7
477.16605	1.0
505.15939	1.1
523.16998	11.3
537.18604	1.1
555.19739	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	555.2931
Annotation	Acrovestone
Peak:m/z	Relative Intensity
50.75680	0.6
50.78183	0.8
51.79791	0.7
55.05505	1.6
57.03439	5.5
57.07083	31.6
64.62589	0.7
67.05508	6.6
69.07074	8.4
71.08636	25.8
75.36243	0.8
81.03426	7.1
81.07052	14.0
83.08620	10.6
85.02911	1.6
85.10181	16.7
94.13644	0.9
95.08612	20.7
97.10188	4.6
98.98465	65.6
98.99110	2.2
99.04449	1.0
109.02889	4.9
109.10162	10.6
116.99510	1.5
117.39587	0.9
123.11727	2.2
128.10635	0.9
139.26935	0.9
145.42926	0.9
155.01044	100.0
168.77576	1.0
173.02177	1.1
239.23706	4.0
253.56059	1.0
297.38666	0.9
313.27377	66.1
317.06171	8.2
393.24173	15.1
401.28882	6.9
405.49829	1.1
537.28137	12.7
555.29279	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	555.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53665	0.7
63.83605	0.7
63.86613	0.7
65.50045	0.7
68.85735	0.8
76.64050	0.9
82.09177	0.8
90.04654	0.9
326.48413	0.9
399.68781	1.2
402.88962	1.0
495.34378	6.2
555.36603	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	556.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81369	1.1
56.70607	1.2
69.03420	6.5
69.07072	2.5
70.06587	2.9
71.05001	1.9
73.85764	1.3
81.03419	6.5
81.07025	1.3
85.02428	2.0
85.02910	36.5
86.08750	1.2
87.00831	2.3
87.04430	1.3
95.08611	1.3
95.87782	1.4
97.02889	15.1
99.04462	13.3
103.03942	32.0
105.01878	2.0
109.02899	20.7
110.01962	1.2
127.03926	53.4
129.10269	1.9
132.56084	1.4
136.07541	1.5
145.04984	18.0
151.00032	1.2
159.02968	2.3
162.09235	1.7
163.05983	15.8
179.18134	1.4
180.10291	5.8
194.08170	1.4
208.09712	8.1
213.03908	2.3
231.04936	2.9
257.09369	1.6
265.09729	2.2
267.11365	7.2
271.07819	1.7
278.88168	1.4
279.07672	13.3
280.08505	3.1
281.09183	3.1
285.08420	1.8
289.09000	4.8
293.09244	10.0
294.10013	6.0
295.07895	1.8
295.10855	21.7
307.07147	2.6
307.10269	16.8
308.09271	10.9
309.08713	2.2
311.10184	7.6
317.08124	1.9
317.11368	6.3
321.08749	8.0
323.10159	9.4
325.08188	6.0
325.11835	4.9
339.09784	17.0
342.12204	5.6
349.08112	5.9
353.11270	6.4
367.09271	23.8
368.10052	7.2
375.09210	1.8
393.10168	7.7
399.11859	100.0
400.12634	7.7
524.20374	11.8
556.20276	22.9
560.86487	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	556.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33298	1.0
52.57718	1.2
62.75121	1.1
64.73483	1.4
70.06594	2.0
81.03414	1.7
85.02907	8.3
97.02926	1.8
103.04012	1.6
109.02885	10.6
111.08081	1.6
120.08095	1.8
124.07626	1.5
127.03899	14.4
136.07558	3.1
140.07082	2.2
162.09135	15.9
166.44643	1.4
168.10251	6.2
171.17175	1.5
180.10219	17.6
190.08643	2.2
192.10095	1.7
199.60440	1.4
208.09683	50.3
213.10385	2.3
229.09827	1.7
231.04880	2.0
239.08170	1.8
243.07774	1.5
243.11208	2.0
249.10464	1.9
250.10817	3.4
257.09271	7.4
258.10004	3.1
265.09735	2.7
267.11230	2.1
271.10889	2.5
273.12463	1.5
276.08527	4.6
279.07755	6.4
280.08398	2.2
285.08633	13.0
287.10159	2.2
289.11884	11.2
293.09326	8.0
295.10870	10.4
299.10324	7.1
302.08978	2.0
308.09296	11.5
309.08890	2.6
311.10370	7.2
316.10419	13.3
317.11313	67.8
321.08792	2.6
323.10147	3.2
325.03925	1.8
325.08160	2.7
325.11871	5.2
327.09943	1.9
339.09784	8.7
342.12186	6.4
343.12790	5.8
351.09811	2.4
355.12891	2.7
367.09311	9.8
375.09048	2.2
383.12381	2.3
393.10303	2.9
399.11826	38.8
438.86017	1.3
524.20325	60.8
542.21277	5.1
556.22913	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93831	0.7
53.67746	0.6
60.94808	0.8
69.03471	1.0
70.06593	4.2
72.08894	0.7
82.82808	0.8
85.02909	1.9
86.09688	1.4
92.06955	0.8
97.02880	1.5
109.06538	1.1
122.03640	1.3
125.05995	1.7
127.03870	1.0
128.06187	1.2
129.07010	12.5
131.04927	14.4
137.05986	100.0
143.04921	3.4
145.06451	1.1
147.07990	0.8
151.03926	1.5
151.07571	1.0
153.05486	10.3
157.06485	22.1
157.07738	0.9
160.05177	1.5
161.05956	3.7
161.09633	1.0
163.07558	10.8
167.24800	1.0
171.08037	1.1
174.06723	3.5
175.07545	37.8
187.07547	45.2
189.09100	35.9
199.07605	3.2
205.08621	4.4
207.10112	1.7
217.08643	8.1
231.08072	4.2
235.09590	3.2
239.06924	1.3
243.10312	1.0
247.07544	4.4
251.10648	3.1
259.07498	1.1
261.09311	1.0
263.10699	6.7
270.08936	1.9
271.09625	2.1
279.10229	9.9
283.09705	1.7
291.10168	12.2
296.10419	2.1
308.10455	1.4
311.12775	16.9
312.20187	0.8
318.73663	0.9
323.12808	14.4
329.13800	7.2
329.98727	0.9
341.13852	43.8
359.14935	8.4
382.77460	0.8
390.10126	0.9
556.24371	1.8
567.13696	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	556.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09584	0.6
65.83537	0.7
70.06605	0.6
70.63031	0.7
75.59678	0.7
82.02652	0.8
83.89059	0.7
83.90601	0.9
85.02908	4.8
86.29081	0.7
89.06177	0.8
91.36993	0.6
97.02890	1.2
103.05453	1.1
109.06535	1.1
117.07056	0.8
122.03672	1.2
125.06013	3.6
127.03924	1.0
129.07011	9.5
131.04916	16.5
137.05981	100.0
143.04901	4.0
147.04385	1.1
149.05989	1.2
151.03966	1.1
151.07713	0.9
153.05486	6.1
157.06480	20.4
158.05040	0.9
160.05196	3.2
161.06012	3.1
163.07545	8.6
172.05319	0.9
174.06764	5.7
175.07544	37.8
185.05988	1.0
187.07530	37.0
189.09099	32.3
199.07492	1.4
205.08556	5.8
207.10112	1.1
217.08580	11.2
219.08080	1.0
219.10150	1.0
231.08084	3.0
235.09584	3.0
239.07014	3.2
247.07611	3.1
248.08289	1.3
251.10640	2.8
259.07559	1.6
263.10690	5.4
265.08521	1.0
270.08954	5.3
271.09677	3.0
276.07947	1.0
279.10175	7.5
283.09564	3.8
291.10126	11.9
296.10449	4.2
308.10559	1.6
311.12750	17.7
323.12753	15.5
329.13885	6.4
341.13840	40.9
359.14899	3.2
503.18887	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	556.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.9
70.06595	5.2
74.06100	1.2
84.08154	2.0
85.02898	4.2
86.09717	4.3
91.05461	1.9
92.20870	1.1
97.02872	1.1
103.05472	2.0
105.07063	2.2
107.04951	1.3
109.06566	1.3
111.04461	1.2
114.07135	1.0
116.19942	1.1
119.04933	11.9
119.08516	1.2
120.08105	1.5
122.03675	1.2
125.06024	1.8
129.06985	8.3
129.10254	1.1
131.04930	28.8
133.06480	5.4
136.07568	2.3
137.05984	100.0
143.04959	1.9
147.04442	9.4
149.06007	1.9
150.48795	1.0
151.07542	6.6
153.05457	7.4
157.06490	18.6
160.05176	1.3
161.05949	19.7
163.07509	19.4
174.06781	2.1
175.07536	33.4
177.09071	1.2
179.07045	5.8
187.07538	33.9
189.09109	31.2
189.10826	1.1
205.08580	5.6
207.10139	2.4
215.76877	1.0
217.08606	9.5
219.10152	2.0
231.08012	2.1
247.07541	4.6
248.08394	1.4
251.10695	1.5
259.07538	1.2
263.10620	5.7
270.08829	3.9
271.09738	1.8
279.10162	7.5
283.09610	2.1
291.10123	12.3
296.10486	1.3
311.12817	17.2
323.12784	15.6
329.13757	8.4
341.09665	1.7
341.13821	41.0
359.14868	8.3
456.73810	1.1
496.83307	1.2
556.23785	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	556.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22825	0.4
56.05045	3.5
65.05534	0.4
67.05506	1.1
69.07071	1.9
81.07047	0.5
83.08620	0.9
93.07010	0.7
95.08584	1.1
96.72200	0.5
97.10180	1.0
107.08576	0.6
109.10168	7.0
111.11716	1.0
119.08595	1.0
124.11208	0.9
124.15759	0.4
125.09623	1.9
135.08078	0.6
135.11636	0.5
137.09596	2.8
148.61778	0.4
153.12773	0.7
153.13853	4.9
154.12268	100.0
155.10680	0.6
161.59528	0.5
168.13852	0.8
170.11769	3.1
171.14925	49.1
171.59579	0.5
172.13326	2.1
182.15321	0.7
195.18559	2.4
196.16972	31.2
198.14877	2.3
213.19653	5.2
217.14485	0.5
305.22070	1.7
306.20688	1.8
323.23206	2.0
333.25253	3.7
334.23883	1.7
341.24335	26.9
351.26489	4.2
369.27484	33.7
383.29071	8.2
533.79657	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	556.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22825	0.4
56.05045	3.5
65.05534	0.4
67.05506	1.1
69.07071	1.9
81.07047	0.5
83.08620	0.9
93.07010	0.7
95.08584	1.1
96.72200	0.5
97.10180	1.0
107.08576	0.6
109.10168	7.0
111.11716	1.0
119.08595	1.0
124.11208	0.9
124.15759	0.4
125.09623	1.9
135.08078	0.6
135.11636	0.5
137.09596	2.8
148.61778	0.4
153.12773	0.7
153.13853	4.9
154.12268	100.0
155.10680	0.6
161.59528	0.5
168.13852	0.8
170.11769	3.1
171.14925	49.1
171.59579	0.5
172.13326	2.1
182.15321	0.7
195.18559	2.4
196.16972	31.2
198.14877	2.3
213.19653	5.2
217.14485	0.5
305.22070	1.7
306.20688	1.8
323.23206	2.0
333.25253	3.7
334.23883	1.7
341.24335	26.9
351.26489	4.2
369.27484	33.7
383.29071	8.2
533.79657	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	556.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83236	0.8
55.05525	1.4
56.05043	1.9
56.09772	0.8
57.45028	0.7
58.92648	0.8
60.24495	0.7
62.87952	0.7
69.07067	0.9
73.06608	0.9
81.07071	1.5
85.02897	1.1
95.08612	11.7
97.10197	6.8
99.97715	0.8
109.10185	1.7
122.09760	1.3
123.08099	2.0
133.59959	0.9
139.12274	6.6
140.10712	100.0
141.09175	0.9
149.13257	1.0
153.13905	1.0
154.12277	30.4
157.13361	70.2
158.11743	1.5
170.11778	1.4
171.14940	12.9
193.40623	0.9
210.18529	12.8
212.16533	0.9
287.45187	1.0
292.62860	1.0
309.21695	2.2
327.22763	43.2
333.25214	1.0
334.23712	2.2
351.26599	1.9
369.27493	34.9
383.29025	7.9
397.30536	2.2
412.23627	1.0
485.78973	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	556.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98016	1.1
55.05521	11.3
57.03439	5.3
57.07085	4.7
60.39687	0.9
67.05515	8.3
69.07081	21.9
71.08630	2.2
71.87006	1.1
79.05500	5.0
81.07065	36.9
83.04984	4.8
83.08634	21.3
85.06541	1.8
91.05471	7.5
92.06991	1.1
93.07055	6.2
95.04928	1.4
95.08614	12.6
97.06525	2.8
97.10171	12.5
99.08081	2.4
103.13242	1.3
105.07043	18.0
107.08614	8.9
109.06508	1.8
111.11720	2.7
116.08250	1.1
119.08604	15.4
121.10116	12.7
123.08034	2.5
123.11713	18.6
127.07572	1.2
136.50955	1.3
137.13289	1.3
141.10225	1.2
147.10580	2.5
147.11691	52.5
165.12737	13.2
229.14464	1.5
259.43533	1.3
267.15909	35.3
285.16907	18.2
305.74319	1.3
311.25851	15.3
348.33926	1.5
399.17236	1.3
521.38391	100.0
556.39966	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	556.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44429	1.4
54.05239	1.2
57.07081	38.9
58.86568	1.3
65.27776	1.3
66.36445	1.3
69.07079	2.2
71.08633	27.0
73.06562	6.1
78.74274	1.3
85.10188	20.5
85.56335	1.3
87.04478	3.4
89.06032	100.0
97.10150	1.9
97.48444	1.3
99.11732	1.5
117.09115	2.8
125.22562	1.3
133.08614	25.0
139.69962	1.5
148.62573	1.7
149.61278	1.5
177.11256	9.4
230.51062	1.6
257.24695	5.2
301.27390	6.8
371.22729	7.6
373.91779	1.4
450.38852	1.6
539.41486	50.5
556.44220	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	556.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48842	2.2
55.05525	26.3
55.37321	2.2
56.52290	2.1
57.03444	12.8
57.07074	11.7
67.05180	3.2
67.05515	49.2
67.46737	2.6
69.07069	55.2
71.04995	5.3
71.08625	4.3
79.05492	17.9
81.07066	68.2
83.08618	55.6
85.06538	2.7
85.10143	3.7
89.03454	2.3
91.05486	6.1
93.07040	31.8
95.08599	53.8
97.06544	16.9
97.10181	21.2
99.08148	3.8
105.07083	3.4
107.08591	26.0
109.10149	26.4
111.08070	10.3
119.08555	5.0
119.18877	2.9
121.10158	20.6
123.11703	21.1
125.09637	4.6
133.10136	4.1
135.11681	5.4
137.13316	2.7
146.26070	3.4
147.11674	5.2
148.87303	2.7
149.13240	37.6
151.14850	2.9
161.13243	5.2
167.14352	9.4
175.14725	3.4
196.59047	2.5
200.02740	2.7
230.11978	2.4
244.59811	2.4
245.22603	4.9
259.16367	4.6
259.19019	100.0
263.23596	18.4
283.26389	22.5
300.28958	15.3
306.27731	2.8
337.27390	61.7
365.24255	2.7
381.09683	3.1
482.46494	2.8
521.41968	97.8
524.46539	3.3
556.52991	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	557.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
72.24989	1.5
82.99861	1.9
119.01885	4.0
126.65864	1.4
141.03918	1.8
143.01875	23.1
145.03406	10.1
155.01836	13.0
159.04987	4.0
161.02936	20.8
167.01859	7.3
169.03476	29.7
171.04935	7.3
173.02917	17.4
177.05986	1.6
181.03435	6.5
185.02940	35.5
187.04494	52.4
188.46284	2.0
189.02438	14.0
189.05995	1.9
197.02916	9.4
199.04442	11.3
203.03978	14.4
211.04507	16.0
213.02472	12.5
213.05971	2.7
215.03908	12.4
217.05424	1.9
221.05023	2.7
223.04497	2.0
227.03880	11.8
231.03482	28.2
233.01340	1.7
233.04453	3.5
245.05026	59.2
257.01205	7.5
263.06000	9.9
271.06558	6.9
275.02472	38.4
275.05573	6.0
287.02277	7.8
293.03528	10.1
305.03494	3.9
305.06906	1.7
335.04379	3.6
359.04483	6.6
377.05582	21.7
381.07861	2.4
395.06616	37.2
516.66418	1.8
539.10602	8.6
557.11749	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	557.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98975	0.2
63.15982	0.3
65.03949	0.3
67.05515	0.3
68.99797	0.2
69.03423	1.6
79.97324	0.2
81.03414	1.0
83.04980	1.3
83.55201	0.2
85.02917	1.3
87.00820	1.0
89.03902	1.9
93.03397	1.1
93.87385	0.2
97.02898	17.1
103.03917	0.3
105.01860	0.3
109.02892	1.0
111.04441	1.0
117.03376	6.2
123.50533	0.2
125.05995	0.4
127.03909	1.0
129.01863	0.3
129.05469	0.4
134.03566	0.3
134.62331	0.3
135.04497	0.4
145.02852	46.4
149.02321	0.6
149.05966	2.4
157.06465	0.4
163.03993	0.3
167.03395	4.7
169.06526	0.4
177.05467	100.0
185.05939	0.3
186.05499	0.3
189.05467	0.3
189.09094	2.0
199.05998	0.3
199.07620	1.1
207.06557	0.2
217.08627	1.7
224.65651	0.3
227.06990	1.1
241.06912	0.2
245.08023	1.7
291.08640	4.9
293.06036	0.2
309.09650	1.7
470.62897	0.3
520.46204	0.3
531.64618	0.3
557.14941	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	557.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49004	0.3
62.61662	0.3
63.75253	0.3
70.06578	0.6
75.84485	0.3
76.13374	0.4
111.36124	0.4
118.06522	2.5
132.08075	2.5
134.34244	0.4
144.08089	7.7
146.06012	35.6
159.09161	5.0
170.05997	2.0
188.07063	100.0
205.09727	35.3
271.10858	0.7
335.12479	0.7
445.72794	0.5
513.05524	0.5
557.12695	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	557.4566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	9.0
57.07082	3.2
59.78374	1.9
59.86981	1.6
60.64510	2.1
62.66381	1.9
67.05518	22.5
69.07066	10.3
79.05486	2.8
81.07079	26.2
83.08616	10.9
91.05497	4.8
93.07047	8.5
95.08606	17.8
97.10201	7.7
105.07038	12.9
107.08598	4.5
107.44674	2.0
109.10154	13.8
117.07037	4.4
119.08569	19.8
121.10128	10.0
123.11638	3.1
124.54848	2.3
131.08575	8.8
133.10143	9.6
133.28108	2.1
135.11705	3.9
137.13338	2.4
145.10176	8.1
147.11732	2.6
159.11679	4.6
161.13240	9.8
173.13231	3.3
175.14833	4.4
185.13412	2.5
215.17902	2.8
234.40755	2.4
245.22557	2.7
340.42542	2.5
521.43549	4.7
539.44293	4.4
557.45789	100.0
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
54.65994	0.3
61.22279	0.4
67.85425	0.4
72.11584	0.3
86.24150	0.3
90.91917	0.4
97.56918	0.3
142.43625	0.3
290.08090	10.8
302.08148	3.8
304.06006	11.0
318.07593	16.0
319.08389	57.3
334.10730	100.0
351.70700	0.4
558.17621	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	558.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03417	0.4
69.07006	0.5
85.02884	0.9
97.71023	0.4
98.70558	0.5
111.31322	0.5
127.03871	0.8
136.62125	0.5
172.27080	0.5
213.07730	0.5
290.08118	12.4
302.08197	4.2
304.06046	11.0
318.07565	16.6
319.02859	0.7
319.08380	59.3
334.10709	100.0
374.71515	0.6
558.17548	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	558.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00204	0.3
50.02237	0.2
50.44724	0.2
55.05481	0.5
57.07056	0.8
58.64593	0.3
69.03384	1.9
69.07070	3.5
71.08592	0.5
81.03381	0.4
81.18577	0.3
83.08630	2.3
85.02906	6.8
87.00832	0.6
92.20877	0.6
92.21458	0.8
97.02898	2.4
97.10166	3.1
99.04415	0.6
105.01833	1.2
109.02856	0.6
111.11671	2.1
113.34888	0.3
120.67639	0.3
120.79746	0.3
125.13212	0.7
127.03922	5.7
127.32863	0.4
130.79782	0.3
133.61160	0.3
135.59573	0.5
145.02806	0.5
145.04936	2.7
157.75832	0.4
177.05385	1.5
199.20541	2.8
217.21664	1.8
231.04845	0.5
249.06047	2.4
276.06509	0.6
284.78522	0.4
290.08121	10.8
302.08212	3.8
302.11288	0.3
304.06030	11.6
318.07608	17.5
319.08383	57.1
334.10724	100.0
549.27313	0.3
558.17596	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	558.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00204	0.3
50.02237	0.2
50.44724	0.2
55.05481	0.5
57.07056	0.8
58.64593	0.3
69.03384	1.9
69.07070	3.5
71.08592	0.5
81.03381	0.4
81.18577	0.3
83.08630	2.3
85.02906	6.8
87.00832	0.6
92.20877	0.6
92.21458	0.8
97.02898	2.4
97.10166	3.1
99.04415	0.6
105.01833	1.2
109.02856	0.6
111.11671	2.1
113.34888	0.3
120.67639	0.3
120.79746	0.3
125.13212	0.7
127.03922	5.7
127.32863	0.4
130.79782	0.3
133.61160	0.3
135.59573	0.5
145.02806	0.5
145.04936	2.7
157.75832	0.4
177.05385	1.5
199.20541	2.8
217.21664	1.8
231.04845	0.5
249.06047	2.4
276.06509	0.6
284.78522	0.4
290.08121	10.8
302.08212	3.8
302.11288	0.3
304.06030	11.6
318.07608	17.5
319.08383	57.1
334.10724	100.0
549.27313	0.3
558.17596	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	558.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58083	2.1
52.89339	1.7
59.44565	2.3
67.05513	2.5
69.07055	3.3
72.96279	2.1
77.84724	2.2
85.02914	2.2
86.09702	2.5
89.57543	2.1
92.21000	2.7
94.06570	2.7
96.31934	2.8
114.85887	2.1
122.06010	25.5
140.07074	93.6
146.06039	3.1
152.07076	2.5
159.21071	2.3
172.03940	3.2
173.04753	11.5
174.05507	44.8
180.06584	3.3
191.05803	4.6
192.06561	4.0
198.07626	2.7
204.06569	39.3
206.08110	9.3
212.09192	5.2
214.10695	2.7
220.11636	2.5
227.54906	2.4
253.09608	2.8
265.09781	3.7
281.09225	15.1
281.12576	3.0
285.12363	10.2
293.09283	11.2
294.10004	13.9
309.12451	22.6
311.10217	20.4
313.11819	34.4
325.11862	9.2
326.12515	9.4
327.13437	4.4
331.12622	3.5
335.10233	21.5
338.09177	3.1
339.09824	28.1
345.14468	4.2
353.11252	46.3
354.12430	3.9
371.12381	66.2
385.13907	30.0
386.14514	8.9
494.19257	84.8
512.19995	10.4
526.21936	100.0
558.19122	3.2
558.22504	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	558.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77392	1.8
50.92453	1.9
57.79952	2.1
61.02938	2.5
61.03353	1.8
69.03430	15.0
70.06603	4.2
72.08141	2.5
74.80538	2.0
79.05487	2.3
81.03416	8.1
85.02914	28.2
86.09696	4.1
91.05488	2.7
97.02898	10.2
99.04449	3.1
103.05481	3.5
104.10963	2.1
105.07035	5.1
107.04974	22.4
109.02887	4.4
119.04939	5.1
119.22401	2.2
121.06542	3.9
127.03912	10.6
128.07112	3.6
129.10249	2.5
131.04953	11.4
133.02834	14.3
133.06532	23.2
134.61722	2.2
135.08058	3.1
137.05988	100.0
145.05046	3.2
147.04443	17.7
149.05997	31.2
151.07561	47.0
157.06458	3.7
161.01140	2.0
161.05978	84.8
161.09593	20.4
162.06738	4.0
163.07542	94.2
165.05490	9.2
165.09091	10.1
167.07027	4.4
173.82037	2.7
175.07536	14.4
177.05469	10.2
179.07072	21.3
181.08638	13.6
189.09125	81.3
191.07031	4.9
203.07054	3.8
207.10158	64.1
215.07004	3.7
225.11066	3.1
227.10649	4.6
249.11105	3.0
255.10143	10.7
281.12134	2.9
285.11249	8.3
287.12717	9.0
291.12250	16.7
297.11105	3.2
309.13358	3.7
311.11371	4.1
313.14468	4.7
331.15390	59.2
337.08856	2.9
343.15298	18.8
360.17355	2.8
457.18579	2.9
558.20392	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	558.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18650	0.8
50.23618	1.0
50.66875	0.9
52.58502	0.9
55.01895	1.1
55.05518	7.4
57.03442	1.9
57.07086	27.2
61.02930	6.3
63.54203	0.9
67.05504	1.9
69.03436	14.0
69.07074	50.7
70.06599	1.4
71.04963	2.3
71.08630	8.9
71.36278	1.3
73.02919	2.1
81.03426	6.0
81.07052	7.0
83.08629	34.1
85.02909	100.0
85.06535	1.6
85.10191	9.7
86.09696	6.8
87.04423	1.2
91.03936	1.8
91.05495	1.3
95.04955	2.0
95.08599	6.2
97.02329	1.6
97.02897	24.6
97.10167	24.5
99.04466	2.7
99.11742	1.1
103.03949	1.3
105.07040	1.4
107.08603	1.8
109.02879	12.7
109.10178	2.6
109.97042	1.0
111.11719	26.4
113.09738	1.2
113.10570	1.1
121.10133	4.3
123.11698	4.5
125.13250	17.9
127.03921	26.3
139.14841	1.5
140.07072	7.2
145.04971	35.3
149.13184	1.5
151.03885	1.2
163.06012	12.4
177.05412	1.9
191.18037	1.2
199.20583	61.1
212.47594	1.2
217.19701	1.1
223.30925	1.4
230.34099	1.2
265.21466	1.3
270.07547	1.3
289.21622	1.6
300.12323	1.4
307.22693	5.9
311.10440	1.8
314.06604	1.7
325.11304	18.4
325.23740	5.5
343.24707	5.2
361.21805	1.9
361.25830	21.3
526.22046	2.4
558.20325	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	559.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25220	1.6
56.47743	1.9
57.03440	2.9
61.02940	3.8
65.55910	1.8
69.03424	16.0
73.02907	2.3
81.03419	13.0
85.02908	39.2
87.00842	16.7
96.04136	2.2
97.02889	18.8
99.04471	10.1
105.01862	8.9
107.04954	1.9
109.02872	15.8
115.03902	3.0
127.03922	23.8
129.01811	4.2
131.04939	2.0
133.06532	3.8
137.05977	61.6
141.07059	2.8
145.04927	3.5
147.07990	2.0
149.05937	3.0
151.03885	9.3
151.07524	7.8
155.04852	3.3
159.02838	10.8
159.08125	2.6
161.05974	18.6
162.41876	2.7
163.07570	2.5
169.06476	10.3
175.07524	22.7
187.07552	18.7
189.05426	4.2
189.09073	2.7
191.06996	3.2
191.08525	4.2
197.05888	2.3
199.07506	9.4
201.09166	4.7
219.08022	22.1
229.08659	15.3
231.05019	3.6
233.09688	3.1
236.08363	2.8
243.08076	7.2
247.07530	10.6
249.09012	3.1
251.10664	46.5
260.08337	2.7
261.09140	8.4
263.10666	2.3
264.07794	8.3
271.07474	8.5
272.08405	2.9
275.10541	4.3
276.07886	3.8
277.08484	4.2
279.10114	52.7
280.11209	2.3
281.11829	4.5
288.07755	4.4
289.08588	8.2
291.10132	11.0
293.11685	9.3
294.08676	2.7
296.10419	10.7
297.11066	3.0
303.10223	22.0
304.11072	3.0
307.09570	2.3
308.10556	2.2
309.11337	4.7
311.09131	3.4
311.12769	100.0
317.11716	2.6
320.10434	4.1
321.11127	10.2
323.12860	29.1
329.30603	2.0
333.11075	8.2
335.12729	22.8
343.09760	2.7
347.12704	3.2
353.13901	23.5
359.12625	3.2
377.13730	9.3
401.13754	16.0
419.14816	6.9
437.15845	3.0
458.41043	2.1
497.18283	2.7
505.14713	3.9
523.16028	13.1
541.17084	19.9
559.18170	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	559.2548
Annotation	Ananolignan J
Peak:m/z	Relative Intensity
55.76684	1.0
63.56693	1.0
67.05488	1.2
81.07065	5.9
91.05427	1.1
93.07008	1.6
109.06517	17.2
111.08133	1.1
119.04944	1.3
123.89803	1.4
130.06528	11.4
132.08092	9.7
137.05986	32.8
142.06544	1.2
144.08076	1.3
145.87112	1.2
146.06006	9.9
149.40489	1.4
154.08611	6.6
159.09163	100.0
160.07553	35.5
169.07573	1.7
170.06004	9.4
182.08276	1.5
183.09155	2.1
185.07104	18.8
187.08632	4.3
188.07063	19.5
202.08617	53.1
209.07129	1.7
211.08646	1.5
219.11288	4.9
245.09332	1.9
249.13783	1.4
250.12085	1.2
260.10690	2.5
267.14816	1.7
271.12436	1.7
277.13379	17.4
278.11719	2.8
283.12231	5.9
295.14413	33.1
313.15536	9.2
320.08951	1.6
323.13733	2.6
337.15427	2.1
341.14948	4.9
345.21945	1.2
355.16476	22.0
382.17526	1.6
396.19385	2.1
481.22247	1.2
499.23447	19.3
513.25128	17.4
527.23065	12.3
541.24713	13.4
559.25562	40.3
559.34009	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	559.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55518	1.0
52.39697	1.1
55.09576	1.0
58.78041	1.4
67.05515	1.7
77.25423	1.3
79.05504	2.5
81.07066	19.7
85.59361	1.2
87.32406	1.3
95.04972	13.0
109.06516	24.6
119.04942	2.1
129.41151	1.3
129.99965	1.4
130.06519	21.2
131.37262	1.5
132.08084	14.3
136.07530	2.8
137.05972	35.3
142.06644	2.2
144.04454	2.3
144.08099	3.0
146.05992	14.5
147.48322	1.4
154.08615	2.6
159.09172	100.0
160.07562	55.0
169.07597	1.6
170.06009	16.2
178.08769	1.4
183.09201	2.7
184.07597	1.8
185.07121	24.4
187.08641	4.8
188.07043	27.1
196.07607	1.9
202.08638	97.9
209.07103	5.5
211.08621	5.4
219.11328	11.4
236.10828	2.5
245.09171	2.2
249.13773	7.7
250.12242	8.1
253.13269	1.8
260.10641	6.8
263.11667	1.4
267.14957	12.8
271.12363	1.6
277.13339	38.7
278.11697	7.0
279.15121	1.9
283.12265	2.7
295.14417	62.0
310.82153	1.6
313.15445	6.1
323.14023	11.5
337.15479	8.6
340.06393	1.5
341.14801	1.9
343.14005	1.6
355.16544	46.2
396.19223	1.9
481.22290	2.8
499.23422	27.6
513.24988	34.7
527.22949	30.8
541.24524	18.9
559.25500	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	559.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	1.1
60.05644	0.7
70.06596	33.0
72.08152	3.4
74.06078	6.7
76.05116	0.9
82.06570	0.8
84.04513	3.5
84.08154	14.4
86.09724	6.7
86.10173	0.8
90.15529	0.7
95.06103	0.7
101.07155	0.8
108.02169	0.7
110.07200	1.7
112.08733	12.7
113.07085	2.1
115.08701	4.0
116.08242	0.7
129.10245	6.0
136.07593	1.4
141.10237	1.2
155.08261	0.9
158.09351	1.1
159.09193	2.8
169.09694	0.8
171.11337	1.0
185.07088	8.7
188.07053	2.7
195.12440	1.4
211.08734	11.4
211.11932	9.3
213.13535	3.8
223.11855	0.9
231.07634	19.0
239.08139	37.3
241.12975	1.0
248.10193	1.7
251.11432	0.8
259.14075	1.4
271.07141	5.8
274.11865	3.7
284.10370	3.8
302.11447	4.3
314.11166	1.0
375.16745	1.0
517.23041	0.9
525.64124	0.8
542.23969	1.4
559.26263	100.0
559.34033	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	559.345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16251	0.6
55.05524	1.3
56.05034	1.0
57.34149	0.6
60.04530	0.7
60.42403	0.6
61.02929	1.1
69.07060	3.5
70.06593	5.4
72.08161	30.7
74.06069	8.7
76.66747	0.6
84.04507	3.1
84.08145	3.6
85.02913	1.0
86.09710	100.0
87.05592	1.6
87.09972	0.8
97.94859	0.7
102.05571	0.8
126.12199	0.7
129.10226	9.1
130.05025	0.8
133.06097	22.5
136.07587	1.1
142.12279	4.3
143.11789	0.9
148.06068	1.2
157.09726	3.8
167.07031	8.4
168.07362	4.0
185.16496	38.5
187.14430	7.7
197.13043	1.2
199.07184	2.9
210.08588	0.9
213.15965	23.0
215.13942	8.5
216.09763	1.2
217.08224	7.8
227.06599	0.8
232.10002	0.8
234.10843	22.1
249.68532	0.9
256.16376	0.8
304.14792	0.7
313.18799	1.2
326.24423	6.0
347.19232	11.4
399.29807	1.0
403.21921	1.4
412.25449	3.5
427.29074	9.7
541.32898	2.3
559.34833	29.2
565.97614	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	559.5194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49869	5.5
55.05514	32.4
57.07078	11.6
62.85575	6.6
67.05508	53.1
68.85659	6.4
69.07063	73.7
72.73122	7.2
81.07066	100.0
83.08617	66.2
90.03036	7.0
91.05463	7.9
93.07040	34.9
95.08601	90.9
97.10149	33.8
100.07639	8.8
105.07044	10.0
107.08564	12.4
109.10172	54.8
111.08076	11.0
114.09183	15.7
119.08582	16.2
121.10118	9.1
123.11727	26.9
128.10767	6.6
133.10165	25.8
146.73280	7.6
147.11682	8.5
149.13228	15.9
161.13211	13.4
212.17430	7.3
245.22720	28.7
263.23682	59.9
280.26334	92.2
302.25357	8.1
389.04355	7.4
426.83389	7.3
448.49442	7.7
559.36591	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	559.5196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04217	2.5
55.05523	38.1
55.31986	2.2
57.07080	16.0
67.05512	51.7
69.07075	57.2
71.08633	12.4
79.05484	6.0
81.07067	78.0
83.08633	56.2
86.06064	5.9
91.05473	6.5
93.07033	16.0
95.08607	76.9
97.06534	12.7
97.10173	28.6
100.07636	12.5
105.07047	6.8
107.08587	22.7
109.10162	52.9
111.08076	6.3
111.11726	3.5
114.09144	11.5
119.08576	12.7
121.10125	16.9
123.11682	25.5
125.09628	4.5
128.10725	3.8
128.29385	2.7
133.10117	15.3
135.11681	11.9
137.09683	3.3
137.13266	12.0
142.12321	4.8
147.11676	13.6
149.13229	6.8
151.14810	4.2
161.13220	6.0
163.14804	4.2
165.16385	4.3
170.15440	4.4
175.14806	6.1
184.16933	3.9
196.16878	4.0
218.62305	3.3
221.50703	3.0
245.22633	26.3
252.12218	4.1
263.23682	72.8
280.26340	100.0
360.62018	3.3
379.26367	3.0
412.66483	3.0
448.22617	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	559.5193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45814	2.0
52.56245	2.0
53.00305	2.8
55.05522	37.0
55.92177	2.2
57.07078	18.0
57.21612	2.0
61.39886	2.3
67.05515	46.0
69.07075	73.1
71.08635	6.0
71.60432	2.5
79.05511	9.7
81.07062	94.9
83.08624	58.9
85.06508	2.4
86.06075	9.2
91.05482	3.9
91.94536	2.3
93.07048	25.0
95.08605	84.2
96.57858	2.6
96.96600	2.7
97.06547	17.7
97.10177	43.2
98.09692	2.3
99.08079	2.8
100.07645	13.1
105.07047	12.3
105.57150	2.3
107.08600	25.5
109.06534	3.0
109.10155	54.3
111.08103	9.8
111.11719	5.4
114.09218	9.6
119.08585	9.8
121.10153	28.1
123.11708	24.7
125.09692	10.4
128.10741	4.8
133.10118	21.8
135.11665	17.3
137.09631	4.2
137.13277	5.1
139.11234	3.2
147.11722	15.3
149.13306	11.1
151.14816	5.2
153.12767	4.1
156.13750	3.1
161.13316	12.8
163.14861	13.8
175.14833	5.8
179.18018	3.4
245.22588	21.8
252.12115	15.2
263.23654	68.4
280.26331	100.0
335.42053	2.6
396.58029	2.9
559.46747	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	559.5194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	17.7
55.74691	2.9
56.90503	2.6
57.07081	13.6
61.35250	3.3
63.80993	2.9
67.05515	38.1
69.07083	34.3
71.08613	6.1
73.08649	2.9
79.05489	16.2
81.07066	55.1
83.08619	33.9
84.08163	3.8
91.05483	7.1
93.07047	20.5
95.04923	3.4
95.08609	66.6
95.89311	3.5
97.06532	7.8
97.10161	13.1
100.07616	6.5
100.88906	3.3
105.07027	14.0
107.08609	19.2
109.10159	36.5
111.08077	3.8
111.11747	4.6
111.83885	2.8
114.09177	5.7
119.08572	23.2
120.88589	3.1
121.10147	18.1
123.08162	4.0
123.11703	18.6
125.09609	4.5
133.10153	21.3
135.11667	6.0
137.13231	6.6
147.11661	7.3
149.13249	6.1
161.13295	13.0
163.14841	3.4
165.16527	3.7
175.14885	5.6
179.17876	4.4
245.22591	16.9
263.23642	34.0
280.26343	100.0
283.64084	3.3
283.85730	3.6
313.70901	3.6
354.96506	3.4
396.13327	3.4
559.36090	18.6
559.52020	19.1
586.05933	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	560.202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.6
57.03414	0.9
61.02910	0.8
67.02554	0.5
69.03430	3.2
70.06581	1.0
72.08147	0.9
73.02905	1.0
81.03396	0.6
85.02909	6.4
86.09692	1.7
87.04443	2.1
91.03946	0.5
97.02860	3.0
99.04397	0.7
109.02883	0.8
110.38063	0.6
116.92582	0.4
127.03902	2.4
130.68686	0.5
133.04912	0.5
145.04906	0.7
157.09741	0.5
165.02306	0.8
168.10252	1.0
171.11301	0.5
181.03844	0.4
182.04948	100.0
182.63814	0.4
194.04904	3.3
204.89563	0.5
205.05383	2.3
219.06963	0.8
224.05922	1.9
231.06982	9.8
239.32658	0.4
248.09621	43.1
266.10693	70.5
398.14963	3.9
428.15967	24.2
443.29395	0.6
560.20227	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	561.2338
Annotation	Labriformidin
Peak:m/z	Relative Intensity
60.67709	1.2
67.05490	1.4
81.07057	12.5
95.04954	2.7
103.08255	1.4
109.06519	16.7
112.39725	1.3
130.06531	32.8
132.04478	3.2
132.08086	8.8
136.07590	1.8
137.05983	28.1
137.19890	1.2
146.06017	10.7
157.07608	92.5
158.05997	34.8
158.07199	1.8
159.09174	100.0
160.07535	1.9
169.07619	1.4
170.05995	6.5
175.08658	43.0
183.09151	2.2
185.07082	17.2
186.05466	5.9
187.08603	5.5
188.07072	21.4
196.07556	1.4
203.08142	73.9
211.08629	2.2
221.09193	8.2
242.62242	1.4
249.13673	2.4
250.12262	1.9
250.15994	1.6
266.11792	1.6
275.11923	1.9
277.13312	13.6
293.12888	2.6
295.14462	22.0
313.15570	11.3
323.13773	3.0
329.14786	1.5
337.12585	3.1
339.13455	5.6
341.15094	10.1
357.14240	7.6
481.22247	1.4
497.21454	7.1
499.23587	12.8
515.22876	20.1
525.21271	8.1
543.22473	67.9
561.23474	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	561.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89743	1.0
63.19603	1.2
81.07055	6.3
81.20051	1.4
99.38285	1.3
109.06527	8.2
127.07530	2.2
130.06531	20.8
132.04399	1.8
132.08104	7.3
137.05963	14.0
146.05975	2.2
157.07591	61.5
158.06012	16.6
159.09166	54.8
170.05956	1.8
175.08643	17.1
185.07024	11.0
186.05537	2.8
188.07066	15.8
203.08154	100.0
221.09120	1.8
277.13547	5.5
295.14285	11.8
313.15424	8.3
332.05591	1.5
332.56583	1.5
336.12741	1.6
339.13412	2.3
341.14844	2.5
357.59238	1.5
499.23288	7.1
515.23096	1.9
525.21222	2.9
543.22327	45.6
561.23346	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	561.2705
Annotation	CHEBI:70607
Peak:m/z	Relative Intensity
52.46502	0.9
64.89658	1.2
71.33636	1.0
76.13194	1.0
80.18243	1.0
81.07066	1.3
83.08627	2.4
84.67957	1.1
111.08047	2.4
112.43861	1.3
129.59273	1.5
130.06505	8.1
132.08054	10.8
134.45668	1.1
139.07530	1.6
142.06540	2.4
144.08029	1.3
146.05991	7.7
159.09169	96.8
160.07562	35.9
169.07527	2.0
170.05978	15.5
175.09576	2.8
185.07132	2.0
187.08664	2.2
188.07062	23.4
196.07668	4.7
202.08612	53.5
205.09642	1.5
219.11298	4.3
237.90764	1.3
251.15393	1.6
279.14883	22.2
280.13077	1.7
283.12305	2.1
297.15970	100.0
315.16980	8.6
325.15469	5.6
339.16953	2.8
343.16672	1.8
357.18066	22.0
384.19238	1.3
398.20706	2.8
483.24017	2.6
501.24808	19.2
515.26495	22.8
529.24292	12.8
543.26007	11.8
561.27191	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	561.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
84.72540	2.2
115.72776	2.3
117.64154	2.8
150.46129	2.3
164.60873	2.1
219.60689	2.6
273.34897	2.9
281.23706	2.2
561.37488	100.0
561.45795	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	561.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	5.6
57.03432	13.4
58.02890	3.3
67.05504	35.8
69.07055	6.3
79.05491	33.2
81.07063	75.3
83.04930	3.4
83.08617	7.1
91.05477	41.8
93.07040	52.3
95.04962	4.5
95.08614	42.8
97.06515	4.3
103.94884	3.3
105.07030	64.4
107.08590	33.5
109.10156	4.4
117.07028	5.7
119.08585	70.5
121.10143	51.7
123.08105	3.6
123.11706	37.2
129.06979	7.1
131.08551	16.8
133.10124	39.0
135.11673	25.0
143.08569	7.5
145.10127	14.9
147.11684	100.0
149.13219	14.4
154.33473	3.4
157.10088	3.7
159.11667	16.3
161.13235	24.1
165.12753	16.4
171.11650	14.3
173.13232	6.1
175.14833	7.2
185.13263	12.9
224.23955	4.4
241.19505	15.5
259.20554	77.9
267.15833	22.9
269.16504	3.2
277.21646	5.8
285.16995	53.9
333.24274	51.4
351.25226	5.7
464.94922	3.1
543.36688	35.8
561.37445	48.2
575.82538	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	561.4877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	9.1
57.07078	6.1
67.05514	17.4
69.07081	11.4
71.08667	2.0
79.05520	2.5
79.46600	1.3
81.07066	27.7
83.08614	9.0
93.07053	7.3
95.08608	23.0
97.06522	1.7
97.10190	4.8
99.46090	1.2
103.85341	1.6
105.07048	2.5
107.08615	7.2
109.06576	1.5
109.10178	9.9
116.51802	1.2
119.08606	5.7
121.10154	7.8
123.07977	1.5
123.11727	2.1
131.08606	2.9
133.10207	4.9
135.11717	7.6
149.09706	1.4
149.13297	2.8
159.11745	1.4
193.19576	1.9
195.66737	1.5
239.85893	1.6
259.17087	1.4
307.26624	1.9
415.37103	1.5
427.59784	1.6
543.48468	2.2
561.48859	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	0.6
55.01873	1.2
55.05518	8.1
57.03431	1.6
61.41842	0.7
67.05518	13.9
69.03432	4.2
69.07066	12.7
79.05502	9.8
81.03422	4.4
81.07066	11.0
83.04976	1.6
83.08609	8.3
85.02924	2.0
87.22814	0.7
91.05486	6.3
93.07053	9.4
95.04979	4.1
95.08611	4.9
97.02898	7.4
97.06571	1.2
97.10168	11.7
105.07063	6.0
106.43734	1.0
107.04975	2.0
107.08622	9.6
109.06523	1.2
109.10152	6.1
117.07027	2.0
119.08549	6.9
121.06522	1.2
121.10164	4.0
123.08067	3.7
125.09614	10.9
129.06978	1.1
131.08598	6.2
133.10147	4.5
135.08075	2.0
137.09622	1.5
144.30699	0.8
144.40703	0.8
145.10117	5.4
147.08022	4.5
147.11670	1.5
149.09581	1.2
149.13248	1.1
157.10144	1.7
159.11639	1.3
161.09599	1.9
165.09152	1.1
175.11150	1.5
177.12669	1.2
179.10724	1.0
183.54085	0.8
189.11273	1.3
193.12201	3.6
211.13377	1.1
223.13312	18.7
227.12814	1.5
227.17938	0.8
234.80185	0.9
245.13943	1.4
245.18892	1.1
249.14853	1.3
273.18460	7.6
285.17014	9.1
291.19543	100.0
320.09259	3.8
321.09943	4.1
336.12317	27.7
347.22235	1.0
365.23227	96.1
383.24258	1.1
411.18893	0.9
453.08441	0.9
453.24881	1.0
527.28510	1.2
562.27838	7.7
562.35535	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	562.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	5.5
57.03432	28.8
63.32517	5.8
67.05499	36.3
67.88454	6.2
69.07063	12.2
74.34964	5.1
79.05492	29.0
81.07067	51.0
83.04974	5.8
83.08606	6.5
91.05486	30.5
93.07033	40.8
95.08593	32.3
96.12036	5.4
105.07017	28.5
107.08599	28.6
109.10154	32.4
119.08569	25.7
121.06506	6.6
121.10148	37.0
123.11747	8.8
131.08577	10.5
133.10150	60.9
135.11688	27.3
141.01816	5.9
145.04909	5.8
145.10178	8.1
147.11662	11.5
149.13268	10.3
151.11238	8.4
159.11766	13.0
161.13266	6.7
164.92139	6.0
173.13213	6.0
186.48564	5.1
187.14839	7.2
205.16013	5.8
253.14394	30.4
259.20459	13.7
277.21469	7.0
296.06091	6.5
320.09225	85.2
351.25375	100.0
365.23260	31.9
546.29108	5.9
562.23883	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	563.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22722	0.7
57.71752	0.7
64.61262	0.7
64.93246	0.7
69.03432	1.0
81.03449	1.1
85.02913	1.4
87.00838	0.9
91.21014	0.8
92.21487	1.1
92.74030	0.7
109.02918	1.1
111.08090	0.9
114.02764	0.7
117.60118	0.7
130.06532	4.0
132.08075	1.0
157.07605	10.2
158.06007	3.0
159.08025	0.9
159.09183	14.0
170.05978	0.8
175.08591	1.4
185.07170	0.8
186.05414	0.7
186.84656	0.9
188.07112	1.1
203.08139	21.1
221.09218	1.1
267.31241	0.8
279.15115	0.9
293.72363	0.9
297.15976	4.9
300.06357	8.4
315.08597	100.0
501.24860	1.1
545.23639	10.4
563.14081	0.9
563.23907	1.4
563.37140	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	563.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86077	0.1
57.26912	0.1
63.72416	0.2
64.95972	0.1
67.12106	0.1
74.17464	0.2
74.75987	0.2
74.91648	0.2
95.64387	0.2
127.03959	0.3
128.49637	0.2
145.49815	0.2
147.11739	0.2
157.07568	0.3
159.09172	0.8
203.08115	0.4
272.06726	0.8
300.06281	17.5
300.45169	0.2
315.08618	100.0
404.72244	0.2
563.13916	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	563.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46093	0.2
51.83461	0.2
53.33412	0.2
57.03419	0.3
61.02920	0.3
69.03427	3.0
81.03428	2.0
83.08598	0.3
85.02909	3.8
87.00788	0.4
87.04404	0.3
97.02865	1.1
99.04404	0.6
102.63425	0.3
103.03924	0.4
103.06407	0.4
109.02837	1.7
109.46893	0.3
111.74253	0.3
127.03964	2.5
130.06491	1.3
146.06036	0.3
157.07616	3.6
158.05959	1.4
159.09158	6.6
175.08649	1.9
185.07172	0.4
188.07027	1.7
193.30330	0.3
203.08144	4.1
272.06790	0.5
279.14761	0.5
297.15918	1.9
300.06268	12.3
301.07059	2.0
313.07074	0.3
314.08023	0.5
315.08618	100.0
357.09778	2.0
477.13937	8.8
517.24109	0.4
519.14990	3.4
527.22632	0.4
545.12805	1.8
545.23792	2.6
563.13977	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	563.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
55.01861	0.3
56.63796	0.2
57.03435	1.3
69.03440	2.8
71.04990	0.5
73.02916	0.3
73.67027	0.2
81.03421	5.0
81.28658	0.2
85.02914	3.7
97.02322	0.4
97.02897	4.8
99.04436	1.6
101.02387	8.0
102.26878	0.3
109.02885	6.2
117.35955	0.3
119.03411	7.4
127.03912	3.9
131.03409	2.8
134.69966	0.3
145.04988	1.2
173.04453	4.2
301.07056	100.0
429.87857	0.3
563.14331	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	563.2485
Annotation	Eriocarpin
Peak:m/z	Relative Intensity
52.70091	0.2
52.75422	0.2
52.89977	0.2
56.24194	0.2
57.05003	0.2
67.05495	0.2
67.60653	0.2
69.03426	1.0
74.59858	0.2
81.03438	2.0
85.02893	1.0
85.06561	0.4
85.79818	0.2
89.03921	0.9
89.86457	0.2
95.08621	2.1
97.02895	0.9
99.04426	0.2
106.94250	0.2
109.02885	1.4
117.03378	3.2
119.08582	0.3
121.10113	0.3
123.08054	0.5
123.46022	0.2
127.03883	0.4
127.56614	0.2
145.02847	33.1
147.11690	0.4
149.05952	1.7
149.09639	1.0
177.05464	100.0
189.12733	0.5
190.10692	0.2
195.06490	1.4
207.13763	2.1
237.06770	0.2
283.34604	0.2
301.07166	1.9
321.09625	2.1
339.10742	9.0
365.17569	0.5
545.24347	0.3
563.30383	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	563.2513
Annotation	Eriocarpin
Peak:m/z	Relative Intensity
78.06077	1.1
83.08615	5.7
87.78082	1.2
102.93584	1.1
111.08107	2.7
112.75412	1.2
127.03973	1.9
130.06548	24.1
132.08061	10.1
134.48012	1.2
145.02837	13.1
146.06026	7.6
157.07605	63.6
157.08865	2.3
158.05989	17.4
158.07968	1.2
159.09171	100.0
170.06010	6.8
175.08633	23.6
177.05472	39.4
185.07115	8.1
186.05458	10.9
187.08684	2.0
188.07056	19.9
203.08150	62.2
221.09163	6.8
277.13486	1.8
279.14969	9.7
285.59424	1.3
295.14459	1.8
297.15958	28.7
313.15359	2.6
315.16977	7.2
325.15427	1.9
339.10770	1.8
341.14963	2.0
343.16653	2.8
359.16022	3.0
499.23395	5.5
501.25153	11.4
517.24445	12.9
527.22754	6.0
545.16107	1.7
545.23920	36.1
563.25037	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	563.2497
Annotation	Eriocarpin
Peak:m/z	Relative Intensity
65.26825	1.0
81.84415	1.0
83.08629	6.6
111.08091	2.0
111.93232	1.2
112.68620	1.2
115.05444	1.1
130.06509	22.5
132.04457	2.2
132.08092	7.3
137.06000	1.6
139.07608	1.7
146.06033	9.9
156.10387	1.4
157.07599	59.2
158.05995	20.4
159.09171	100.0
170.06017	6.8
175.08618	33.1
175.09869	1.8
185.07108	8.0
186.05493	11.5
187.08644	4.6
188.07080	24.6
203.08154	68.7
205.09755	2.2
221.09229	8.4
230.02647	1.5
277.13342	2.4
279.14862	11.0
280.13196	1.6
295.14291	1.3
297.15945	37.2
302.31668	1.5
313.15277	2.4
315.17007	11.4
325.15311	1.9
343.16425	4.7
359.16052	2.7
422.35757	1.3
487.28677	1.4
499.23389	9.9
501.25110	13.7
517.24426	16.1
527.22992	6.5
545.23871	51.1
563.24817	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	563.25
Annotation	Eriocarpin
Peak:m/z	Relative Intensity
50.10670	1.1
57.27109	1.0
83.08623	2.0
95.08568	1.3
130.06558	13.8
131.06944	1.3
132.08072	6.2
146.06027	5.3
157.07597	58.7
158.06020	15.8
158.07936	1.7
159.09169	73.7
170.05988	2.9
175.08580	12.9
185.07082	6.1
186.05521	6.4
187.08717	2.3
188.07082	12.6
203.08153	100.0
204.08446	1.7
279.14709	4.4
295.14291	2.3
297.15961	27.0
315.16821	5.9
325.15262	1.8
343.16519	3.1
466.41891	1.4
499.23334	1.4
501.24881	12.4
517.23999	6.7
527.22986	2.8
545.15887	2.3
545.23846	51.8
563.24573	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	563.2502
Annotation	Eriocarpin
Peak:m/z	Relative Intensity
54.74338	0.9
62.16095	1.1
68.67860	1.1
81.07047	1.4
83.08631	1.8
92.20950	1.3
92.48749	1.0
109.06507	2.1
114.09203	1.4
130.06528	22.7
132.04468	4.9
132.08089	5.6
132.38496	1.1
137.05991	5.5
142.06479	2.0
144.08067	1.3
146.06012	10.2
157.07614	64.0
157.08885	2.3
158.06001	20.5
158.07933	1.3
159.09178	100.0
160.09558	1.7
162.13895	1.0
169.07550	1.3
170.05997	7.3
175.08629	41.7
176.08990	1.1
185.07158	4.2
186.05505	2.3
187.08775	1.8
188.07063	24.9
203.08141	28.8
205.09711	1.4
221.09186	10.8
258.07092	1.2
279.14981	9.3
295.14548	7.5
297.15976	26.3
301.07248	1.1
307.64508	1.2
313.15341	2.6
315.16895	5.6
341.14886	1.9
343.16327	2.2
359.15921	6.8
402.86911	1.5
499.23114	5.5
501.24728	2.6
517.24463	25.5
527.22906	2.5
545.23895	40.1
563.09198	1.3
563.24701	20.0
563.33923	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	563.25
Annotation	Eriocarpin
Peak:m/z	Relative Intensity
50.10670	1.1
57.27109	1.0
83.08623	2.0
95.08568	1.3
130.06558	13.8
131.06944	1.3
132.08072	6.2
146.06027	5.3
157.07597	58.7
158.06020	15.8
158.07936	1.7
159.09169	73.7
170.05988	2.9
175.08580	12.9
185.07082	6.1
186.05521	6.4
187.08717	2.3
188.07082	12.6
203.08153	100.0
204.08446	1.7
279.14709	4.4
295.14291	2.3
297.15961	27.0
315.16821	5.9
325.15262	1.8
343.16519	3.1
466.41891	1.4
499.23334	1.4
501.24881	12.4
517.23999	6.7
527.22986	2.8
545.15887	2.3
545.23846	51.8
563.24573	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	563.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	12.6
57.03448	8.9
57.07076	2.4
58.78779	1.1
67.05511	45.7
69.07076	16.0
71.04983	1.7
79.05501	22.7
81.07063	100.0
83.04984	3.1
83.08636	11.2
85.06549	3.0
86.80107	1.2
91.05479	27.5
93.07039	28.6
95.05022	1.9
95.08609	44.8
97.06531	7.7
97.10224	1.4
98.24197	1.1
99.08091	5.1
101.05979	1.2
105.07038	37.7
107.08598	27.6
109.06507	6.1
109.10162	20.9
119.08588	36.3
119.29442	1.5
121.10148	39.5
123.08061	1.8
123.11711	32.1
127.07573	1.9
131.08574	7.9
133.10136	12.2
135.11707	14.7
137.09628	1.8
137.13258	7.0
145.10098	9.2
147.11688	63.1
149.13268	8.7
157.10130	2.3
159.11673	6.0
161.13252	2.1
163.14890	2.0
165.12770	17.3
168.88277	1.3
173.13274	2.8
183.13826	1.4
229.14281	2.0
238.14104	5.3
243.21121	6.2
259.94888	1.4
261.22131	22.1
265.44742	1.3
267.15933	33.9
279.23029	2.3
285.16965	43.0
317.24756	2.9
335.25842	38.7
353.27023	2.1
362.26740	1.3
453.33987	1.7
467.01791	1.4
527.37109	8.5
545.30518	2.0
545.38367	44.3
563.22113	2.2
563.37897	18.7
563.45551	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	563.394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	11.0
57.03437	10.9
57.07085	1.2
57.99929	1.0
64.75969	1.0
67.05507	50.8
69.07069	15.9
71.04984	2.7
79.05497	27.8
81.07060	100.0
83.04964	4.9
83.08621	12.2
85.06573	4.0
91.05477	20.8
93.07037	42.4
95.04989	1.8
95.08603	51.9
97.06551	5.3
97.10149	1.6
99.08087	1.9
105.07024	34.2
107.08599	29.3
109.06518	4.6
109.10161	26.3
109.72798	1.1
111.08092	1.7
117.07007	4.6
119.08581	31.1
121.10141	38.3
123.08067	2.4
123.11697	34.9
126.15980	1.1
131.08585	6.8
133.10130	13.7
135.11688	16.1
137.13271	6.0
145.10124	8.5
147.11681	63.2
149.09628	1.7
149.13254	8.6
159.11679	5.2
161.13242	7.8
163.14836	2.3
165.12744	17.5
173.13242	6.4
175.11214	1.6
175.14755	1.9
187.14827	5.3
229.14371	2.6
243.21069	6.4
261.22116	25.4
267.15912	34.9
279.23230	7.3
285.16946	45.5
317.24734	6.1
335.21747	2.4
335.25790	68.4
353.26901	2.6
527.37024	7.1
545.30499	1.9
545.38336	50.7
563.39313	22.5
585.04279	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	563.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05528	13.3
57.03445	14.9
57.07082	2.2
60.63493	1.5
61.17072	1.6
67.05139	2.5
67.05511	68.9
67.17115	1.7
69.07066	22.7
71.05009	3.9
75.51590	1.7
77.96748	1.7
79.05504	35.8
80.40306	1.8
81.07066	100.0
81.07552	3.3
83.04982	4.0
83.08618	13.7
85.06546	2.6
91.05467	29.5
93.07047	44.1
95.08607	54.7
97.06541	10.9
97.10179	3.5
99.08115	4.4
105.04459	1.8
105.07031	37.2
107.08597	35.2
109.06509	3.2
109.10181	23.2
109.45937	1.8
111.08138	2.5
117.07008	2.2
119.08598	34.3
121.10137	50.4
123.08030	3.5
123.11697	38.6
127.07489	2.6
131.08566	11.3
132.97531	2.1
133.10146	11.1
135.11732	19.5
137.13295	2.8
145.10139	10.9
147.11682	72.1
149.09660	2.2
149.13274	9.4
157.10158	2.6
159.11681	9.6
161.13327	2.2
163.14816	7.8
165.12727	22.9
171.54018	1.9
173.13255	9.0
183.13875	2.4
187.14841	2.4
210.79509	2.0
229.14352	8.9
243.21066	7.1
253.78374	2.1
261.22086	35.0
267.15909	46.4
279.23105	6.9
285.16968	46.2
317.24866	3.9
328.17419	2.1
335.25797	92.6
353.26956	3.7
414.53702	2.1
479.79050	2.1
527.36859	9.4
545.38446	71.9
563.39532	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	563.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	10.6
57.03444	8.7
57.07088	2.0
63.68351	0.8
67.05513	53.7
69.03484	0.9
69.07071	16.5
71.04994	2.6
75.78020	1.0
79.05498	24.2
81.07064	100.0
83.04994	2.6
83.08631	13.0
85.06547	4.4
91.05486	22.1
93.07047	33.8
95.04963	2.7
95.08610	50.1
96.08579	1.1
97.06528	6.4
97.10178	1.7
99.08096	3.9
105.07041	32.8
107.08599	33.6
109.06527	6.3
109.10169	18.8
111.08089	2.1
113.06025	1.0
117.07024	2.7
119.08578	29.2
121.10143	42.8
123.08046	5.6
123.11708	37.0
131.08560	9.8
133.10159	12.9
135.11700	15.9
137.13274	4.7
145.10069	7.8
147.11693	72.6
149.13272	10.4
151.14796	1.3
156.93834	1.1
157.10149	1.6
159.11720	6.4
161.13234	5.1
163.14799	4.6
165.12747	22.5
173.13219	7.5
175.11145	2.0
175.14854	1.7
187.14804	1.8
193.12265	1.3
215.38138	1.0
229.14284	2.4
243.21014	7.0
250.77312	1.1
261.22137	26.5
267.15918	38.3
279.23129	5.7
284.82635	1.4
285.16962	49.9
317.24811	3.9
319.50684	1.3
335.25809	55.0
353.26892	5.0
471.34143	1.5
527.37415	10.0
545.30524	1.9
545.38409	53.5
561.86292	1.2
563.39508	26.4
570.87677	1.2
583.66821	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	563.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	14.0
57.03440	7.8
57.63241	1.3
58.55421	1.0
67.05183	2.6
67.05514	50.4
69.07069	15.8
71.05005	2.5
76.81434	1.2
79.05495	27.6
81.07066	100.0
83.04987	5.1
83.08624	11.9
85.06556	2.5
91.05478	28.0
93.07050	34.2
95.04969	2.3
95.08009	2.2
95.08613	46.7
97.06539	8.6
99.08078	2.7
105.07041	40.1
107.08602	30.7
109.06519	7.2
109.10143	13.4
111.08056	2.1
117.07019	2.5
119.08582	36.2
121.10149	43.6
123.08062	2.4
123.10832	1.9
123.11718	36.3
127.07606	2.4
131.08594	10.1
133.10115	12.7
135.11714	14.5
137.13260	2.6
145.10139	7.0
147.11691	69.9
147.12878	2.4
149.13266	12.4
154.63347	1.3
157.10120	2.9
159.11658	2.8
161.13239	5.5
162.29370	1.4
163.14763	1.9
165.12737	21.9
173.13260	6.4
187.14813	2.2
193.88351	1.3
197.12793	1.5
229.14435	2.7
243.21144	5.8
261.22159	24.1
267.15912	40.6
279.23160	6.7
285.17001	41.5
317.24716	7.5
335.25787	42.0
353.26764	2.8
381.61136	1.5
471.34674	2.1
527.37274	7.6
545.38416	77.2
563.39648	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	563.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	15.8
57.03436	10.4
57.07087	2.2
64.75961	1.4
67.05181	2.7
67.05513	55.2
69.07077	18.4
70.43917	1.4
79.05492	28.9
81.07063	100.0
83.05016	5.1
83.08626	9.3
85.06530	3.3
87.61263	1.5
91.05486	22.6
93.07046	43.7
95.04987	1.9
95.08613	51.5
97.06519	6.2
97.10159	3.2
97.86174	1.5
99.08108	1.7
101.17715	1.4
105.07039	30.4
107.08593	31.1
109.06534	2.6
109.10168	20.9
111.08047	1.6
113.55418	1.4
117.07020	3.4
118.36353	1.4
119.08578	27.3
121.10152	39.5
123.08082	3.8
123.11711	38.4
129.07047	2.2
131.08583	9.1
133.10138	12.9
135.11691	14.5
137.09608	1.7
137.13205	1.8
145.10109	6.6
147.10585	2.9
147.11694	68.4
149.13272	9.4
157.10185	2.7
159.11615	5.8
161.13222	7.5
163.14799	3.9
165.12759	16.4
173.13257	3.4
175.11128	2.2
175.14774	2.1
187.14810	2.3
243.21121	6.8
261.22183	21.9
267.15884	32.8
279.23206	3.4
285.16940	37.2
317.24792	2.1
335.25812	73.1
353.26761	2.6
471.34607	2.5
527.37543	5.7
545.38324	54.7
563.39185	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	563.4335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71894	0.2
58.48911	0.1
61.97963	0.2
62.94961	0.1
103.26877	0.2
121.10183	0.3
137.90610	0.2
151.20613	0.2
159.27066	0.2
203.14301	1.1
206.63727	0.2
219.17432	100.0
264.23212	27.5
287.37274	0.2
299.32227	0.2
336.12292	0.7
434.63742	0.2
563.43445	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	563.4338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97895	0.3
57.17202	0.2
73.69342	0.3
102.81425	0.3
103.10774	0.3
159.56639	0.3
166.75496	0.3
203.14395	0.5
219.17436	100.0
224.92555	0.3
264.23224	23.8
314.59216	0.4
410.92004	0.3
563.43176	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	0.6
53.25888	0.5
55.05518	6.8
57.03442	0.6
57.07086	12.5
58.68849	0.5
58.91275	0.5
67.05519	5.6
69.03415	0.6
69.07071	22.0
71.08641	8.4
72.08141	1.0
78.00008	0.5
79.05497	2.3
81.07071	10.5
83.04990	1.2
83.08626	19.7
85.06530	1.2
85.10186	4.0
86.06070	2.7
93.07046	5.0
95.08617	11.8
95.72312	0.5
97.06550	5.6
97.10168	17.6
100.07600	6.7
103.89628	0.6
107.08595	5.4
109.10152	6.7
111.08093	6.8
111.11732	7.2
114.09180	6.1
121.10155	7.1
123.11720	3.0
125.09642	3.3
125.13259	1.1
128.10721	3.9
128.27751	0.6
135.11681	7.4
137.13185	0.9
139.11171	2.7
142.12312	1.4
149.13249	5.2
153.12747	0.9
163.14861	3.4
170.15501	0.5
191.17955	0.8
232.57414	0.7
240.26921	0.6
247.24274	6.3
265.25253	8.2
282.27911	100.0
373.48047	0.6
382.17142	0.7
563.54852	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	563.5507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53996	0.7
54.10707	0.7
55.01866	0.9
55.05519	8.1
57.07083	14.3
67.05511	5.6
69.03420	0.8
69.07070	28.0
71.05028	0.9
71.08633	7.8
71.47105	0.8
72.08170	1.2
79.05524	2.8
81.07057	10.5
83.04990	1.6
83.08134	1.0
83.08627	28.1
85.06532	0.8
85.10187	4.9
86.06078	3.6
93.07069	5.8
95.08598	13.2
97.06543	5.9
97.10168	22.5
100.07629	9.4
107.08601	7.3
109.10158	7.2
111.08067	6.1
111.11726	9.0
114.09167	8.8
121.10135	11.5
123.11706	3.3
125.09641	3.6
125.13292	1.3
128.10718	2.9
135.11693	11.1
139.11194	3.8
149.13257	6.6
156.13840	1.2
163.14745	1.4
177.16437	3.0
191.17979	0.9
206.17813	0.8
247.24287	6.6
265.25272	6.4
282.27914	100.0
482.35364	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	564.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	0.6
69.03385	0.4
69.07046	0.8
81.03384	0.8
81.07064	6.4
83.08632	0.4
85.02850	2.7
91.05450	0.6
92.21207	0.6
93.07010	0.8
95.08544	2.5
97.02873	0.9
97.58096	0.4
99.04411	0.5
103.03900	1.5
105.06994	0.7
107.08549	1.7
109.02834	1.7
109.06468	0.4
109.10118	0.9
117.06947	0.5
119.00350	0.4
119.08546	0.6
127.03943	3.8
133.10075	0.6
137.13217	0.5
145.04965	0.8
147.11591	0.4
158.07588	0.5
159.11700	0.5
182.85968	0.5
275.19797	0.4
292.09686	8.0
304.09732	0.9
306.07611	2.2
320.09167	7.8
321.09970	31.3
336.12296	100.0
349.23737	2.6
367.25378	0.6
393.10159	0.8
564.25964	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	564.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44365	0.3
53.62078	0.3
55.05498	0.3
57.03427	0.3
60.70416	0.4
61.84018	0.3
67.05486	1.2
69.07063	0.5
74.42164	0.3
79.05447	0.3
81.03414	0.4
81.07016	1.6
83.04913	0.4
83.08600	0.4
85.02883	0.7
91.05428	0.5
92.21368	1.5
93.07009	1.7
95.08586	1.1
96.78157	0.3
97.02850	0.4
105.07012	0.5
107.08548	1.9
109.02904	0.4
109.10121	0.5
119.08530	0.5
121.06498	0.3
121.10117	0.7
123.11546	0.3
127.03893	1.0
131.08478	0.5
133.10098	0.7
135.11635	0.6
145.10063	0.6
147.11717	0.4
149.13272	0.5
159.11615	0.5
174.13686	0.3
176.06975	0.4
186.61096	0.4
211.14882	0.3
251.48732	0.3
255.15955	0.6
269.17444	1.4
275.20053	0.4
292.09625	8.3
297.29861	0.3
304.09595	1.4
306.07550	3.1
320.09189	9.1
321.09946	30.4
336.12289	100.0
349.23624	1.2
372.78635	0.4
402.32367	0.7
546.36523	0.4
564.25928	53.5
564.36804	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	564.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	0.6
69.03385	0.4
69.07046	0.8
81.03384	0.8
81.07064	6.4
83.08632	0.4
85.02850	2.7
91.05450	0.6
92.21207	0.6
93.07010	0.8
95.08544	2.5
97.02873	0.9
97.58096	0.4
99.04411	0.5
103.03900	1.5
105.06994	0.7
107.08549	1.7
109.02834	1.7
109.06468	0.4
109.10118	0.9
117.06947	0.5
119.00350	0.4
119.08546	0.6
127.03943	3.8
133.10075	0.6
137.13217	0.5
145.04965	0.8
147.11591	0.4
158.07588	0.5
159.11700	0.5
182.85968	0.5
275.19797	0.4
292.09686	8.0
304.09732	0.9
306.07611	2.2
320.09167	7.8
321.09970	31.3
336.12296	100.0
349.23737	2.6
367.25378	0.6
393.10159	0.8
564.25964	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	564.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	3.3
53.56464	0.6
55.01879	1.2
57.03447	2.5
57.84417	0.6
59.77842	0.6
61.02940	1.1
62.09165	0.6
65.61655	0.6
66.46622	0.6
67.05511	3.6
69.03432	6.8
69.07068	3.2
71.04993	1.0
73.02925	2.6
74.30151	0.6
79.05513	7.0
81.03436	9.6
81.07068	100.0
83.05003	0.8
83.08627	0.6
85.02915	20.1
87.00838	6.5
89.26039	0.7
91.03960	0.7
91.05495	3.7
92.20899	0.7
93.07051	3.5
93.75650	0.7
95.08614	16.3
97.02900	13.7
99.04453	9.1
103.03956	5.9
104.97321	0.6
105.01876	8.9
105.07040	3.3
107.08591	1.6
109.02895	35.6
109.10152	3.1
111.08125	0.9
117.07014	1.4
119.08599	3.7
121.10139	1.6
125.09625	0.9
127.03925	38.8
127.64005	0.6
129.01869	2.5
131.08591	2.9
133.10138	3.2
135.11732	0.8
137.13266	17.1
145.04945	8.2
145.10115	3.7
147.02885	1.4
149.09709	1.0
157.10045	0.8
159.02937	8.8
159.11679	2.8
163.06036	1.6
173.13168	0.7
185.13361	2.5
200.84348	0.7
213.03943	9.0
219.17574	0.8
229.14317	1.6
231.05003	12.8
239.17957	1.1
249.06012	4.8
253.07028	0.9
255.15732	0.8
257.19043	2.6
275.20016	3.7
291.07126	1.3
336.12231	8.5
349.23743	12.3
357.08249	2.8
367.24695	3.1
375.09259	6.4
393.10272	20.4
403.47873	0.7
424.87024	0.8
493.27454	0.8
564.26111	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	564.2647
Annotation	Taurolithocholate sulfate
Peak:m/z	Relative Intensity
53.03959	3.4
54.03660	1.1
54.14264	1.1
55.01870	2.4
55.05515	2.0
57.03431	2.2
57.07064	1.6
67.05508	15.9
69.03429	9.7
69.07063	6.2
71.04981	6.0
73.02897	5.8
77.48606	1.5
79.05497	13.5
81.03420	21.1
81.07060	100.0
83.08627	2.7
85.02901	30.6
87.00822	11.1
91.05465	7.0
93.07040	11.2
95.08609	25.2
97.02898	23.2
97.06512	1.5
97.10128	2.4
99.04449	14.6
103.03948	13.0
105.01864	14.8
105.07014	2.5
107.08595	8.6
109.02880	50.8
109.10168	10.4
111.04433	2.0
117.06996	3.2
119.08583	9.6
121.10164	7.2
123.95461	1.5
127.02988	2.9
127.03909	61.1
129.01823	2.0
131.08569	6.2
133.10146	3.2
135.11707	6.6
137.13295	14.0
145.04976	14.2
147.02916	2.3
147.11703	1.9
149.13277	1.9
159.02870	10.7
159.11682	2.3
161.09442	1.4
163.05992	5.0
185.13362	1.8
187.06009	2.1
208.72867	1.3
213.03909	10.5
222.51151	1.4
229.14331	8.1
231.04961	16.0
249.06134	7.6
250.63530	1.3
269.17496	6.3
275.19998	6.6
309.20471	6.9
336.12335	1.6
349.23627	9.3
349.27325	1.8
357.08038	4.7
367.24789	1.8
375.09213	7.6
393.10162	25.5
564.26489	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	564.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	3.3
53.56464	0.6
55.01879	1.2
57.03447	2.5
57.84417	0.6
59.77842	0.6
61.02940	1.1
62.09165	0.6
65.61655	0.6
66.46622	0.6
67.05511	3.6
69.03432	6.8
69.07068	3.2
71.04993	1.0
73.02925	2.6
74.30151	0.6
79.05513	7.0
81.03436	9.6
81.07068	100.0
83.05003	0.8
83.08627	0.6
85.02915	20.1
87.00838	6.5
89.26039	0.7
91.03960	0.7
91.05495	3.7
92.20899	0.7
93.07051	3.5
93.75650	0.7
95.08614	16.3
97.02900	13.7
99.04453	9.1
103.03956	5.9
104.97321	0.6
105.01876	8.9
105.07040	3.3
107.08591	1.6
109.02895	35.6
109.10152	3.1
111.08125	0.9
117.07014	1.4
119.08599	3.7
121.10139	1.6
125.09625	0.9
127.03925	38.8
127.64005	0.6
129.01869	2.5
131.08591	2.9
133.10138	3.2
135.11732	0.8
137.13266	17.1
145.04945	8.2
145.10115	3.7
147.02885	1.4
149.09709	1.0
157.10045	0.8
159.02937	8.8
159.11679	2.8
163.06036	1.6
173.13168	0.7
185.13361	2.5
200.84348	0.7
213.03943	9.0
219.17574	0.8
229.14317	1.6
231.05003	12.8
239.17957	1.1
249.06012	4.8
253.07028	0.9
255.15732	0.8
257.19043	2.6
275.20016	3.7
291.07126	1.3
336.12231	8.5
349.23743	12.3
357.08249	2.8
367.24695	3.1
375.09259	6.4
393.10272	20.4
403.47873	0.7
424.87024	0.8
493.27454	0.8
564.26111	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	564.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58232	0.6
55.01875	1.1
55.05515	2.5
55.63865	0.6
57.03434	2.4
61.02925	0.9
67.05515	5.8
69.03427	1.1
69.07061	5.0
71.08630	9.8
79.05491	3.9
81.03420	3.3
81.07072	6.5
83.04976	0.6
83.08618	2.6
85.02898	1.5
91.05477	3.3
93.07047	3.2
95.04966	1.4
95.08589	3.9
97.02882	0.7
97.06496	0.6
97.10172	3.9
99.08096	6.6
102.24621	0.6
105.07023	3.5
107.08595	5.4
109.10185	1.4
111.08064	1.0
119.08605	3.0
121.10125	3.3
125.09624	4.4
127.03907	2.5
129.06950	0.9
131.08522	2.7
133.10124	3.3
135.08064	0.6
135.11685	1.1
145.10143	0.9
147.11673	2.9
151.11191	1.0
157.10168	0.9
157.79556	0.6
167.10649	1.4
171.11661	0.5
193.12241	3.1
227.12766	0.9
229.14320	0.6
230.11284	0.8
252.40633	0.8
259.20563	1.0
260.16669	0.6
267.15836	0.6
275.20120	4.3
285.16986	7.4
293.21078	100.0
309.20685	0.9
336.12518	0.8
351.25507	0.9
367.24774	46.1
437.25241	1.0
569.90479	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	564.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86325	2.2
55.01862	3.1
55.05519	9.8
57.03434	14.0
58.23334	2.1
58.61708	2.1
61.02927	6.1
64.66729	2.3
67.05170	3.8
67.05507	53.6
69.03419	5.7
69.07065	19.0
69.37751	2.3
71.05008	2.6
73.02906	2.6
78.91871	2.2
79.05503	34.4
81.03413	12.7
81.07059	65.0
81.57129	2.6
83.04977	6.1
83.08608	16.1
85.02915	10.3
87.12955	2.2
91.05461	18.8
92.20921	3.9
93.07037	48.7
95.08615	26.5
97.02924	3.1
97.06512	26.9
97.10172	9.9
99.08105	5.3
103.03949	4.3
105.07054	17.9
107.08588	33.4
109.06506	3.2
109.10146	21.2
111.08091	11.4
117.07022	16.1
119.08572	25.3
121.10147	25.3
122.55479	2.9
123.11729	2.5
123.22365	2.4
125.09657	4.7
127.03909	9.9
129.07010	2.4
131.08545	16.7
133.10112	30.7
135.11694	39.2
137.09599	3.6
145.10158	20.1
147.11714	14.3
149.09621	15.3
149.13226	25.1
159.11703	34.3
161.13232	9.5
163.11165	9.5
171.11650	2.7
173.13264	3.9
177.12729	16.1
179.14330	6.2
181.12311	3.2
183.11827	3.6
195.13893	3.8
229.14249	4.5
255.15883	34.4
257.19034	6.1
269.17450	100.0
275.20096	21.9
316.70752	2.6
320.09268	4.9
321.09952	17.4
336.12335	50.7
349.23706	64.4
367.24902	18.7
474.32874	2.7
564.26062	20.4
564.37231	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	564.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	3.3
56.91605	1.1
57.03446	12.9
61.02932	1.7
62.43495	1.1
67.05514	13.8
69.03448	2.0
69.07063	6.8
71.04996	1.7
73.02927	2.1
75.64446	1.4
79.05508	16.1
81.03404	2.1
81.07063	31.5
83.04987	2.4
83.08620	6.0
85.02921	12.0
85.06544	1.9
91.03934	2.2
91.05496	18.5
92.20915	1.7
93.07049	21.6
93.37177	1.4
95.04982	3.2
95.08606	22.9
95.72843	1.2
97.02898	6.7
97.10226	1.6
99.04443	2.0
99.08120	1.6
103.03938	1.6
105.07021	25.0
107.08601	24.0
109.02852	8.2
109.10150	6.1
111.08102	3.1
117.07025	12.9
119.08578	31.6
121.06468	1.9
121.10168	9.6
123.08058	1.8
125.09639	2.2
127.03921	8.1
129.07021	9.3
131.07057	2.6
131.08575	20.0
133.10120	18.5
135.11699	6.4
137.09595	1.8
137.13229	3.1
141.06984	1.6
143.08508	9.9
145.04910	1.5
145.10132	34.2
147.08076	1.8
147.11696	21.1
149.09612	9.5
155.08504	2.7
157.10139	12.1
158.57814	1.4
159.11694	37.5
161.09602	2.8
161.13222	10.1
163.11177	3.0
169.10091	5.3
171.11664	6.2
173.13255	14.0
175.14845	5.2
177.12766	1.5
183.11678	6.1
185.13264	29.3
187.14893	1.7
191.14246	1.6
197.13217	6.4
201.16402	2.9
203.14374	12.8
209.13458	1.6
217.16118	1.3
219.17424	5.1
229.19467	2.4
239.17940	13.9
257.18964	27.4
275.20056	27.2
287.56393	1.8
309.20572	2.4
320.09210	2.3
331.22672	3.2
336.08624	2.6
336.12320	48.3
343.15656	1.6
349.23724	100.0
367.24652	5.3
375.09283	1.6
380.90851	1.4
393.10217	1.6
397.11334	1.4
493.27472	2.1
497.69989	1.4
511.28516	5.8
564.26141	15.0
575.69635	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	565.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78478	0.3
55.44274	0.4
57.03432	0.4
61.02922	0.5
69.03426	4.2
71.05006	0.6
73.02905	0.7
81.03412	4.3
85.02906	7.5
87.00834	4.1
87.77225	0.4
91.03944	0.5
96.54746	0.3
97.02889	2.8
99.04456	1.4
105.01856	1.5
109.02892	4.2
117.01894	0.5
127.03902	5.2
139.03882	0.4
141.01817	0.5
145.04941	1.3
153.01826	1.6
159.02861	3.0
165.05498	0.4
239.81526	0.4
274.04736	0.7
285.03973	0.9
302.04208	8.5
317.06537	100.0
565.11688	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	566.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	1.5
56.05073	0.9
56.87076	0.7
58.51852	0.8
60.08164	9.4
63.07673	0.7
67.05501	0.9
71.07395	1.8
81.03444	0.8
81.07053	1.0
86.09705	36.5
87.21590	0.7
91.11733	1.0
103.50990	0.8
104.10742	80.2
114.09158	8.1
125.00014	17.7
137.05988	1.0
146.54567	0.9
157.07629	3.6
158.08012	1.3
175.08693	1.0
184.07329	100.0
194.35275	0.9
209.16591	1.4
222.04919	0.8
228.16040	1.0
345.80823	0.9
517.95941	0.9
548.30261	1.9
566.30872	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	566.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.9
55.01888	2.4
55.05511	8.0
56.88692	1.9
57.03436	11.9
58.70749	1.8
61.02930	3.3
61.58570	2.0
67.05508	50.2
67.10013	2.0
68.48099	2.0
69.03427	3.9
69.07073	11.9
70.44872	2.0
71.04988	4.5
71.08632	23.3
71.55183	2.0
72.38416	2.1
75.41686	1.9
79.05504	22.3
81.03429	11.8
81.07068	51.2
82.00709	2.0
83.05004	5.1
83.08613	16.5
85.02921	10.3
91.03925	2.4
91.05478	15.9
93.07040	46.8
95.08624	21.4
97.02889	3.8
97.06549	11.6
97.10162	8.2
99.08087	27.4
103.03928	2.4
105.07034	9.6
107.08601	26.8
109.10136	20.9
111.08085	4.2
117.07016	9.8
119.08578	9.9
121.06532	3.1
121.10132	15.5
121.49934	2.3
123.11739	3.6
125.09634	11.2
127.03921	4.6
131.08559	10.1
133.10144	14.8
135.08078	3.3
135.11661	9.0
137.09677	2.3
139.11234	2.7
141.02002	2.1
145.10132	5.3
147.11688	2.7
149.13271	29.5
151.11186	19.8
157.10255	2.6
159.11688	22.2
161.13307	10.3
163.11208	3.7
171.11728	3.6
173.11734	13.0
175.66519	2.3
177.09224	2.2
177.12709	17.7
179.14349	12.6
185.13341	3.4
195.13904	7.8
227.12889	4.0
229.14346	19.7
251.16374	8.3
259.20520	4.5
269.17468	100.0
277.21573	17.7
339.17822	2.8
351.25290	62.5
360.46323	2.2
365.73859	2.4
369.26282	10.0
389.18069	3.1
513.29932	3.6
540.82520	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	566.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31562	2.2
55.05518	5.5
57.03439	13.8
67.05511	40.5
69.03422	4.9
69.07055	11.4
71.08624	20.3
73.03397	2.8
79.05489	15.1
81.03422	4.4
81.07063	52.7
83.04993	5.1
83.08614	17.7
85.02917	15.3
90.47314	2.5
91.05467	11.3
93.07051	36.2
95.04955	5.0
95.08625	19.2
97.02868	2.8
97.06544	12.2
99.08105	14.5
105.07055	6.0
107.08593	22.6
109.02924	2.5
109.06522	2.8
109.10148	5.9
111.08060	5.0
114.09225	3.3
117.07011	4.1
119.08585	6.1
121.10147	21.3
130.19577	2.6
131.08513	3.6
133.10127	11.7
135.11671	11.2
147.11678	5.9
149.13263	20.8
151.11198	11.4
159.11702	19.2
161.13255	11.1
163.11150	3.9
173.11867	9.3
177.12755	13.3
179.14330	4.1
184.07413	3.9
185.13329	2.8
195.13879	5.2
237.78157	2.7
238.75223	2.8
245.13704	3.1
269.17484	100.0
277.21506	9.2
320.09067	3.6
321.09943	6.2
336.12280	54.8
351.25256	51.7
369.26462	6.5
413.21661	3.8
513.30676	3.2
548.26593	4.5
566.26886	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	566.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	4.7
55.93601	1.5
56.84036	1.8
57.03437	11.0
64.03048	1.7
65.18835	1.6
67.05507	36.8
69.03416	8.4
69.07063	12.3
70.05396	1.7
71.05003	2.3
71.08647	16.3
72.31996	1.7
79.05509	17.9
81.03439	4.9
81.07063	43.8
82.16167	1.9
83.04984	4.9
83.08625	11.1
85.02902	7.7
85.06553	2.4
85.36951	1.7
91.05480	13.2
92.20872	2.0
93.07042	39.1
95.08591	21.2
97.06557	8.0
97.10159	3.8
99.08106	16.5
105.07046	8.4
107.08606	21.0
109.06477	2.5
109.10159	13.3
111.08099	3.6
117.07010	4.4
119.08572	4.3
121.06525	1.9
121.10128	15.5
123.11701	3.0
124.04185	1.7
125.09605	4.0
131.08580	3.2
133.10123	13.4
135.11693	12.9
135.63077	2.0
145.10112	3.8
147.11691	3.7
149.13251	26.0
150.46388	2.4
151.11182	11.3
159.11650	19.5
161.13269	7.8
163.11230	2.6
173.11723	3.3
174.86928	1.8
175.14832	2.9
177.12700	16.9
179.14304	8.5
215.50075	2.0
229.14241	7.9
248.84303	2.3
251.16396	2.1
269.17444	100.0
277.21613	9.0
336.12521	2.3
339.18063	2.8
351.25269	41.5
369.26218	4.6
445.12439	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	566.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
65.01954	0.5
85.02940	0.7
86.71271	0.6
88.06001	0.5
95.72661	0.5
96.08173	1.0
103.03935	0.9
114.09155	3.6
127.03911	2.0
163.06010	0.8
180.09993	3.0
193.13159	2.3
194.11548	10.1
208.13124	2.4
209.16565	0.7
210.11142	0.6
228.15974	0.6
232.83424	0.6
235.15549	0.6
236.16202	0.9
279.47394	0.6
284.90921	0.6
311.85449	0.7
347.23074	12.9
349.20828	0.9
363.22516	35.6
364.25366	1.0
379.25677	100.0
391.10321	2.1
395.25156	27.7
404.11267	0.8
548.19055	2.2
555.24902	0.7
566.20062	3.5
566.37567	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	566.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85771	0.4
54.12833	0.4
58.01987	0.4
58.56821	0.4
69.07077	2.3
79.05483	0.8
79.60378	0.5
82.08810	0.5
88.33337	0.4
96.08138	14.4
97.06517	0.7
102.68694	0.4
104.62529	0.5
113.10746	7.9
114.09162	60.5
115.07578	1.0
126.81362	0.6
132.10201	2.2
153.84114	0.5
208.18169	2.7
209.16487	36.4
210.14864	1.9
226.19121	13.1
227.17525	5.9
228.15935	18.8
264.48355	0.6
310.62668	0.6
320.06335	0.5
321.26523	2.4
322.24902	19.9
339.27557	7.1
340.26114	2.4
341.24500	5.1
434.35135	2.1
435.33252	8.6
452.36111	2.2
453.34323	3.2
512.45862	0.6
548.41583	7.2
566.42780	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	566.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07073	5.4
70.06591	3.1
75.79897	0.5
79.05491	2.1
84.08160	0.9
86.09727	0.7
96.08132	25.6
100.28381	0.6
113.10770	12.1
113.11505	0.9
114.09170	85.6
121.73859	0.5
129.10249	0.6
132.10236	2.7
155.68922	0.5
185.63118	0.5
197.86353	0.6
208.18132	1.1
209.16496	42.8
210.14902	0.8
222.91064	0.5
226.19144	13.2
227.17496	8.0
228.15950	24.5
245.18576	2.9
321.26590	1.2
322.24826	14.9
339.27661	3.2
340.26050	2.0
341.24289	4.0
358.27090	0.6
435.33328	4.0
452.35883	0.9
453.34335	4.7
548.41479	4.6
566.42810	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27784	0.5
75.17341	0.5
76.66525	0.5
102.51907	0.5
137.13379	0.6
145.49097	0.7
164.57051	0.6
180.09758	0.6
181.07352	9.8
182.05746	2.8
194.07922	3.9
195.06282	19.0
210.05208	1.4
227.07861	5.7
242.42865	0.6
306.58514	0.6
314.69946	0.7
335.13358	0.7
381.14194	35.8
468.99570	0.6
567.22003	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	11.9
61.33173	2.0
62.29865	2.2
69.03426	13.4
73.02964	4.3
81.03430	27.3
85.02916	41.7
87.00834	14.7
93.75943	2.8
97.02888	28.7
99.04447	22.9
103.03947	10.9
103.69272	2.4
105.01878	27.6
109.02894	71.7
116.25829	2.6
117.33437	2.5
121.58691	2.7
127.03928	100.0
129.01866	4.8
145.04987	18.6
159.02901	15.8
213.03984	13.4
230.08160	3.1
231.04982	25.4
248.47736	2.8
249.06114	11.5
278.62988	3.4
357.08148	3.7
375.09152	6.7
393.10202	24.7
533.26086	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	568.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65639	0.8
53.03955	6.0
53.25606	0.9
54.78674	1.0
55.01876	1.4
57.03436	1.1
57.07093	1.4
61.02937	1.1
61.86773	0.8
69.03440	16.1
69.07086	2.2
69.66745	1.0
71.04996	1.2
73.02911	2.1
81.03423	22.3
81.59483	1.0
83.08624	1.0
85.02911	51.7
87.00843	14.5
89.03570	1.3
92.21494	1.2
97.02895	26.6
99.04460	23.4
103.03947	14.7
105.01887	14.6
109.02889	62.1
111.11665	1.2
114.69357	1.2
119.03448	1.1
127.03917	100.0
129.01863	7.3
145.04964	18.2
147.02882	2.3
159.02916	10.6
163.06064	4.6
213.03979	16.6
231.05013	16.7
249.06044	7.2
253.06976	1.8
273.06067	2.3
291.07254	7.8
307.10471	1.2
312.78320	1.0
345.66931	1.0
357.08194	2.6
375.09213	21.6
393.02744	1.1
393.10236	34.4
533.25714	1.8
568.39520	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	568.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60320	0.9
53.03952	10.6
55.01878	2.6
61.02909	1.5
69.03432	16.6
69.83526	1.2
73.02917	5.9
81.03418	38.2
85.02906	48.6
87.00830	21.4
97.02891	37.3
99.04449	18.9
103.03951	12.7
105.01875	23.8
109.02881	85.2
127.03910	100.0
129.01860	9.4
145.04970	16.3
147.02907	6.9
159.02911	16.4
163.05978	5.5
187.05942	1.8
213.03940	18.5
216.31386	1.2
231.05035	26.4
249.06075	9.7
253.06895	1.6
273.06079	1.5
291.07010	9.3
315.99689	1.4
325.63654	1.1
357.08160	2.9
375.09103	14.1
393.10269	42.6
396.77179	1.3
533.25336	1.5
547.80774	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	568.296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.5
59.67268	1.2
61.26847	1.2
67.05527	1.3
67.91497	1.4
69.03423	9.9
69.07069	5.5
70.06591	3.1
79.05515	1.5
81.07047	6.4
83.08627	1.9
84.08138	2.1
85.02896	3.3
86.09721	3.6
93.07043	2.2
93.08270	1.7
95.04967	6.8
95.08585	3.7
97.02881	3.5
97.06557	1.6
97.73807	1.5
98.06091	1.5
105.07035	14.9
107.08587	11.3
109.06535	3.5
109.10142	2.6
110.07183	2.5
119.08579	42.3
121.10166	6.5
125.09651	6.7
129.10240	3.3
130.23479	1.7
131.08527	11.2
133.10141	38.4
135.11646	2.7
136.07654	2.4
141.01094	1.6
145.10152	2.6
147.11720	13.0
153.09070	5.8
158.10878	2.0
165.12790	2.1
173.13246	25.8
175.13293	3.7
175.14818	100.0
191.14317	23.1
209.15369	23.3
215.28554	1.5
227.16536	13.7
371.20483	3.3
568.18573	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	568.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	2.7
55.80346	1.0
57.07095	1.3
61.02925	1.6
67.05513	2.7
69.03432	6.5
69.07059	6.1
70.06584	4.7
71.04992	1.5
72.08170	1.7
79.05506	1.6
80.44002	1.1
81.03411	2.6
81.07066	11.3
83.04989	12.7
83.08618	7.4
84.08157	2.8
85.02914	19.0
85.06536	5.3
86.09698	4.7
87.04491	1.9
88.05551	1.1
91.05482	4.8
93.07046	8.2
95.04965	28.3
95.08613	10.6
97.02913	7.0
97.06525	6.4
99.04472	8.8
99.08071	1.1
101.20790	1.1
105.07024	14.3
107.08595	19.4
109.02881	2.7
109.06528	22.0
109.10163	25.4
111.08095	2.4
115.07566	1.9
119.08582	23.8
120.08093	1.3
121.10145	16.6
123.08070	5.7
123.11700	6.7
125.09603	5.7
127.03915	5.2
129.10266	2.3
131.08557	11.2
133.10132	65.0
135.08057	10.7
135.11719	15.1
136.07585	4.7
137.09665	1.6
139.11203	5.2
145.04971	5.9
145.10121	6.7
147.11699	16.3
149.13260	17.5
151.11143	5.6
153.09111	17.6
158.10904	2.5
163.11290	1.4
163.14835	2.1
165.12799	1.8
167.14291	6.0
173.13254	43.7
175.14816	100.0
187.07227	1.3
191.14302	38.2
193.15909	5.3
209.15363	50.9
227.16415	32.8
248.07921	1.5
412.13992	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	568.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08161	8.5
60.19437	0.8
61.71858	0.7
62.35365	0.8
63.40049	0.7
65.79619	0.8
68.43510	0.9
69.07054	1.0
70.06593	1.2
71.07371	1.9
79.05473	1.1
81.07071	4.1
85.02893	1.9
86.09711	36.0
95.08614	0.9
97.02877	1.3
104.10745	82.9
105.14233	0.9
105.42976	0.9
107.08601	1.0
109.02879	1.3
109.10162	1.9
114.09158	1.4
119.08561	0.9
125.00005	14.1
127.04015	0.9
145.13896	0.8
149.13330	1.4
180.53767	1.0
180.60251	0.9
184.07339	100.0
292.27811	0.9
393.10089	1.0
452.23706	7.5
532.29932	6.7
550.31445	11.8
568.23798	1.8
568.32526	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	568.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06607	7.9
59.07395	10.0
59.50340	0.4
60.07918	0.4
60.08173	7.9
71.07365	2.2
82.94339	0.5
83.08606	0.5
86.09708	24.7
90.07025	0.4
96.44035	0.4
97.06506	0.5
104.10751	79.3
119.47400	0.5
125.00005	10.9
129.05457	0.7
170.11874	0.5
174.05531	0.6
184.07344	100.0
210.08862	0.7
222.08948	5.5
224.10484	0.6
226.08322	2.1
238.08360	3.3
256.09457	10.3
281.63016	0.6
299.11322	3.1
312.12149	4.9
412.20889	6.0
459.64389	0.5
480.23395	0.7
533.31000	1.2
534.32080	3.4
550.31213	2.7
568.23364	1.3
568.32379	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	568.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06603	0.7
60.07867	0.4
60.08171	11.6
64.27106	0.4
69.90561	0.4
71.07364	2.8
71.08614	0.4
81.03418	1.6
81.07053	0.5
83.08616	0.8
85.02882	0.6
86.09707	36.2
91.05463	0.6
95.04982	0.5
98.98479	0.5
99.08084	0.5
104.10747	91.8
120.67786	0.5
121.29813	0.5
123.04423	4.2
124.99998	13.7
143.15027	0.4
144.41595	0.5
163.01595	0.5
167.07021	4.4
184.07335	100.0
193.12285	0.8
269.98746	0.5
293.21085	1.0
418.57776	0.5
468.23795	0.5
550.31384	2.7
567.91553	0.5
568.32471	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	568.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79872	2.8
56.48039	3.3
56.92409	3.3
57.03405	4.2
60.04490	3.4
62.79984	3.5
69.03410	9.7
69.07068	6.7
70.06590	27.1
71.05000	9.1
72.08160	4.4
73.02917	20.8
73.79247	4.0
79.05505	4.2
81.07053	63.8
83.08604	5.4
84.04484	4.0
84.08135	7.0
85.02904	62.9
86.09711	8.8
91.13028	3.3
93.07030	21.5
95.06114	4.9
95.08602	24.4
97.02885	37.1
105.07018	31.9
107.08595	45.4
109.02911	6.4
109.10154	41.9
112.08755	8.8
115.03950	8.0
115.08662	9.2
119.08587	77.7
120.08084	87.7
121.10146	7.8
123.11713	9.4
127.03879	29.8
127.11176	17.8
127.29079	3.8
129.10356	4.3
133.04964	17.0
133.10120	33.7
135.11685	94.7
139.08612	5.2
143.10709	18.0
143.37556	4.0
145.04970	21.8
147.11650	28.8
149.13231	6.0
153.12674	4.8
157.09787	8.0
163.06001	6.1
166.08665	5.2
177.10190	5.0
199.11902	14.7
203.17929	46.6
211.86134	4.3
221.19006	83.7
223.10797	7.7
239.19987	8.0
241.07045	6.7
247.47418	3.9
259.08102	19.6
280.09531	3.9
295.10126	32.1
454.05511	4.2
476.53064	4.3
568.20801	6.5
568.28778	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24494	1.2
52.11657	1.5
55.05523	3.0
55.91180	1.1
57.07088	2.6
58.03877	1.5
60.82475	1.2
61.08257	1.4
65.38789	1.4
67.05507	6.9
69.07070	10.8
79.05506	6.6
80.06261	2.1
81.07061	18.2
83.08635	2.9
84.66958	1.6
91.05479	13.0
93.07049	25.7
94.74650	1.4
95.04969	21.8
95.08611	15.1
105.07031	33.8
106.07819	2.1
107.08598	28.9
109.06528	2.7
109.10143	13.7
117.07006	7.1
119.08577	56.5
120.09373	6.4
121.10158	17.3
123.08102	8.1
125.09634	2.2
129.06984	6.8
129.31746	1.8
130.07721	2.0
131.08578	26.3
132.09375	8.2
133.10129	32.2
134.10902	2.2
135.08086	2.1
135.11671	15.4
137.09612	3.5
143.08542	22.5
144.09360	6.0
145.10127	57.5
146.10904	2.0
147.11679	14.1
155.08578	7.4
156.09344	6.8
157.10118	31.4
158.10938	2.5
159.11676	25.3
169.10107	12.1
170.10930	6.2
171.11673	21.6
173.13264	17.1
175.14804	11.4
179.08580	3.2
181.10161	3.4
182.10982	3.6
183.11734	18.7
185.13213	14.4
186.14030	2.6
187.14819	8.2
189.12694	1.7
191.14339	3.7
193.10231	2.9
195.11729	10.8
196.12524	6.6
197.13214	16.8
198.14073	2.8
198.33452	1.5
199.14885	7.9
201.16437	3.5
207.11775	2.3
208.12573	2.4
209.13316	15.7
210.14087	2.8
211.14868	10.1
213.16405	2.3
221.13326	7.7
223.14908	6.9
224.15584	2.7
225.16443	3.3
235.14864	2.4
237.16414	3.6
239.17972	1.8
249.16374	2.9
265.19440	1.7
283.20605	2.1
297.22153	1.8
338.25989	30.7
430.32306	7.7
476.36554	31.1
568.42737	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00996	2.0
57.07080	33.3
58.07489	2.3
60.31872	1.9
69.07044	3.0
71.08624	39.6
73.06561	3.8
74.64417	2.6
79.51868	2.1
83.08601	3.2
85.10172	17.4
87.85134	2.4
89.06028	100.0
89.98709	2.3
97.10166	4.4
133.08588	25.9
161.63306	2.5
177.11197	11.5
181.60594	2.2
226.62543	2.4
313.30954	5.5
327.20087	10.6
357.33548	4.8
551.45209	57.3
568.48138	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	569.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.5
55.01876	2.3
69.03432	3.2
70.06589	0.6
73.02952	0.7
74.39832	0.5
74.82662	0.4
75.85248	0.4
78.44239	0.4
79.05487	0.6
81.03418	5.2
85.02908	7.3
85.61903	0.4
87.00835	2.9
90.53823	0.5
95.04930	0.8
97.02905	3.0
99.04459	2.9
105.01896	2.3
107.04942	3.7
109.02899	4.7
111.04417	2.1
116.50306	0.6
118.29871	0.5
121.06498	3.4
123.04430	41.8
125.05986	3.5
127.03925	7.3
133.06505	8.2
139.07524	3.5
145.04979	1.3
149.05984	11.1
159.02859	1.1
160.50517	0.5
161.05974	14.6
162.06883	0.5
167.07033	100.0
168.94852	0.5
179.07014	2.9
191.07028	2.7
193.08601	11.7
197.08110	0.8
268.66379	0.5
285.31430	0.5
300.82861	0.5
303.12268	15.1
305.15982	0.5
320.09158	3.0
321.13330	36.5
475.69864	0.7
520.64514	0.6
551.17621	8.9
569.18658	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	569.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
65.90182	1.4
67.05534	1.7
72.00848	1.5
78.45512	1.7
79.05482	2.1
81.07066	8.4
93.07043	2.2
95.08588	2.4
105.07050	1.9
119.08601	3.7
157.11870	1.6
192.65150	1.5
370.29102	1.7
422.21579	1.7
449.19739	9.8
459.47382	1.8
465.15506	8.6
477.19241	51.8
478.20038	3.3
491.20654	2.1
494.19290	11.6
509.21976	8.4
520.20825	6.4
537.21429	18.4
553.27289	2.0
553.52142	1.7
561.07098	1.9
569.23993	100.0
569.41974	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	569.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07084	0.8
71.02322	0.6
81.07059	0.7
84.97539	0.7
90.82568	0.7
95.08614	1.2
106.77081	0.6
114.00035	0.6
127.03971	0.8
159.55699	0.6
175.14821	0.7
185.04205	0.9
242.24722	1.0
290.27051	1.0
331.09845	1.1
407.23959	2.9
457.20178	5.6
471.21960	3.6
509.31195	1.3
569.29285	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2932
Annotation	neriifolin
Peak:m/z	Relative Intensity
69.07084	0.8
71.02322	0.6
81.07059	0.7
84.97539	0.7
90.82568	0.7
95.08614	1.2
106.77081	0.6
114.00035	0.6
127.03971	0.8
159.55699	0.6
175.14821	0.7
185.04205	0.9
242.24722	1.0
290.27051	1.0
331.09845	1.1
407.23959	2.9
457.20178	5.6
471.21960	3.6
509.31195	1.3
569.29285	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2934
Annotation	neriifolin
Peak:m/z	Relative Intensity
51.76623	0.3
63.95263	0.4
71.21463	0.4
71.65856	0.4
80.05202	0.5
185.04207	0.8
197.16112	0.5
259.07971	1.0
308.88147	0.5
321.16937	1.9
403.22427	0.5
407.24127	2.7
481.24149	2.0
483.22052	13.3
569.29376	100.0
585.74866	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	570.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.14008	0.4
69.03411	0.5
70.06596	2.5
72.08136	0.8
77.75810	0.5
81.03423	1.8
86.09731	0.7
89.03918	0.6
89.66806	0.4
91.05473	1.1
106.54108	0.5
117.03360	3.0
119.04937	5.9
123.56116	0.5
127.03870	0.7
133.02866	3.1
137.05972	26.5
145.02847	29.1
147.04417	17.9
147.05594	0.6
149.06007	3.6
150.06741	1.2
151.07516	1.2
161.05899	0.8
162.06723	0.8
165.05522	0.8
175.03915	3.8
177.05466	100.0
179.07069	6.7
185.02605	0.8
189.75034	0.5
195.06514	1.0
197.08121	1.9
201.05489	11.0
207.06398	0.8
228.64090	0.5
237.15761	0.5
305.08182	0.9
307.09790	0.7
325.10663	3.6
337.10776	1.2
339.10861	2.7
355.11853	5.2
443.13602	1.1
451.13910	0.7
469.14749	0.8
487.15988	0.9
517.16949	1.0
570.29608	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29581	0.6
56.07119	0.5
58.06590	0.6
60.08173	10.0
71.07380	1.4
71.08624	0.7
81.07050	0.8
83.08608	0.6
86.09705	30.9
93.07037	0.9
94.31077	0.6
94.97511	0.6
98.98469	0.7
104.10741	81.3
119.82001	0.6
124.99989	13.5
149.65938	0.7
150.43517	0.6
157.37128	0.8
181.02769	0.8
184.07332	100.0
246.85933	0.7
248.17589	0.7
249.07660	0.7
258.11011	0.9
312.35303	0.7
373.41739	0.8
452.24051	7.1
492.09555	0.8
534.32043	5.0
552.32971	13.1
570.33978	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	570.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29581	0.6
56.07119	0.5
58.06590	0.6
60.08173	10.0
71.07380	1.4
71.08624	0.7
81.07050	0.8
83.08608	0.6
86.09705	30.9
93.07037	0.9
94.31077	0.6
94.97511	0.6
98.98469	0.7
104.10741	81.3
119.82001	0.6
124.99989	13.5
149.65938	0.7
150.43517	0.6
157.37128	0.8
181.02769	0.8
184.07332	100.0
246.85933	0.7
248.17589	0.7
249.07660	0.7
258.11011	0.9
312.35303	0.7
373.41739	0.8
452.24051	7.1
492.09555	0.8
534.32043	5.0
552.32971	13.1
570.33978	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	570.4113
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32290	0.2
55.05523	0.3
56.05040	3.2
59.08914	0.2
67.05502	1.7
67.25520	0.2
67.41391	0.2
68.00962	0.2
69.07072	1.5
70.06577	0.3
75.64926	0.3
81.07049	0.4
83.08605	0.5
91.05515	0.4
93.07054	1.5
95.08606	1.6
97.10185	1.4
107.08586	0.5
109.10155	6.2
111.08059	0.5
111.11705	1.3
119.08569	1.2
124.11221	1.3
125.09650	1.6
136.11206	1.1
137.09595	3.1
149.13261	1.2
153.13864	4.7
154.12267	100.0
166.15945	0.5
167.14302	0.4
168.13805	0.4
170.11768	2.4
171.14919	47.7
172.13271	1.9
173.11716	1.0
189.11249	0.5
196.16957	1.1
209.20163	0.6
210.18526	13.5
212.16457	2.5
227.21156	1.5
305.22168	1.5
306.20673	1.2
323.23297	2.9
341.24338	28.2
347.26898	2.6
348.25385	1.7
365.27872	3.8
366.26312	0.3
383.29031	32.4
384.16397	0.3
384.84827	0.4
397.30728	3.0
540.18958	0.3
570.22998	0.9
570.30713	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	570.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56720	0.8
55.05496	0.9
55.40699	0.8
56.05040	2.0
67.05504	2.2
69.07061	2.0
79.05499	1.1
81.07027	1.3
84.08117	0.8
93.07037	1.9
95.08607	1.8
107.08610	1.1
109.10173	7.5
125.09602	1.6
135.11760	1.4
137.09607	1.8
153.13878	4.7
154.12270	100.0
161.13293	1.3
166.93227	0.8
168.13812	27.8
170.11780	1.8
171.14912	47.5
172.13286	1.1
182.15404	9.3
184.13237	1.2
185.16483	9.6
195.18497	2.2
196.16965	73.6
198.14911	2.1
199.18098	2.3
213.19606	12.8
214.18002	1.1
319.23837	1.6
320.22061	1.4
333.25513	1.3
337.24899	1.3
351.26370	4.9
355.25894	37.0
365.27887	1.9
369.27493	30.7
383.29034	32.0
397.30493	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	570.5092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05528	9.8
56.05046	2.8
57.07084	7.5
60.04533	89.1
60.04845	3.0
67.05514	16.9
69.07067	14.9
70.06599	2.6
71.08635	3.2
72.04518	3.5
74.06083	3.1
79.05496	9.2
81.03435	2.0
81.07063	18.9
83.08632	10.9
85.10188	1.9
86.06070	5.5
90.05545	2.6
91.05473	9.5
93.07042	9.5
94.06554	2.4
95.08606	20.1
96.08130	1.9
97.10184	9.5
98.06070	1.7
105.07050	7.0
107.08602	8.3
109.10185	8.5
111.08114	1.7
119.08567	9.8
121.10159	5.8
123.11692	2.4
124.59177	1.4
133.10121	6.1
135.11713	3.4
137.09567	1.4
147.11716	2.4
161.13229	1.8
172.04224	1.5
176.99539	1.4
179.02043	1.3
245.22768	2.1
250.25322	3.0
262.25293	33.4
263.23871	3.0
270.64178	1.4
272.25845	3.0
280.26294	21.5
298.27289	9.5
298.84598	1.4
311.42661	1.6
314.26840	1.5
349.36813	1.5
390.89023	1.6
520.99255	1.9
534.48792	16.2
552.49872	100.0
570.42505	3.0
570.50989	75.3
572.62585	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	570.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45713	1.1
55.05517	9.0
56.05037	6.9
57.07084	9.6
60.04533	86.0
61.51759	1.1
62.22375	1.1
67.05508	16.9
69.07075	15.6
71.08628	5.3
72.04519	2.7
74.06091	2.8
79.05505	8.6
81.03406	2.3
81.07048	19.2
82.06597	1.8
83.08652	10.8
85.10210	2.3
86.06061	2.4
90.05569	5.5
91.05479	11.5
93.07052	8.2
94.06564	5.7
95.08605	21.4
96.08121	1.7
97.06548	1.5
97.10194	10.6
98.06057	1.8
105.07044	7.9
107.08598	7.1
108.08079	2.5
109.06567	1.9
109.10172	10.8
111.08132	1.3
111.11758	2.1
119.08595	8.7
121.10152	7.8
123.08123	1.7
133.10164	7.3
135.11668	5.1
225.71254	1.4
242.24641	1.4
245.22505	1.5
250.25301	3.3
254.24539	1.4
257.99130	1.6
262.25296	35.5
280.26297	20.2
298.27399	8.4
319.55264	1.3
348.07822	1.4
516.47931	2.5
534.48669	15.9
552.49872	100.0
570.50946	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	571.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82198	1.3
53.23574	1.4
55.43094	1.5
61.15868	1.7
62.52728	1.7
69.03437	2.3
70.06599	9.7
70.24785	1.6
72.08151	2.7
76.15841	1.6
81.07062	7.7
84.00207	1.7
84.08145	2.4
85.02909	4.0
86.09734	2.8
96.33255	1.8
96.83521	2.3
98.58884	1.7
112.03970	9.2
117.42015	1.7
118.86837	1.8
119.04942	2.1
122.06007	17.6
124.07578	29.2
129.10251	3.1
140.07068	100.0
147.04373	3.4
154.05005	28.7
154.08615	3.8
178.05043	16.6
198.55470	2.0
199.07626	1.9
206.04524	20.5
238.07076	22.1
289.54507	1.7
291.09634	1.9
302.12369	9.1
331.49295	1.9
345.10895	4.3
377.13715	2.3
449.39307	2.0
539.18549	9.0
571.23529	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	571.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58217	0.3
69.07048	0.3
70.91271	0.4
73.34496	0.4
92.21007	0.7
93.06993	0.4
108.91528	0.4
159.11829	0.4
228.56810	0.4
255.24277	0.4
344.68903	0.4
350.09409	0.4
400.15414	1.9
411.22107	0.6
428.18503	0.6
429.19357	1.7
436.22369	1.5
437.23456	1.7
441.19266	0.8
442.16278	4.0
455.20865	0.9
456.17767	2.3
462.20123	0.6
463.21140	2.0
465.19174	0.7
467.50705	0.5
479.20651	2.4
480.21561	23.8
481.15396	0.8
481.22311	22.8
483.20563	0.8
491.24258	5.1
493.22205	0.5
499.20081	0.8
509.25452	5.1
517.22766	3.2
524.20532	0.9
525.21503	0.8
527.26239	2.0
535.23462	3.4
538.21954	0.8
539.18964	2.4
542.21082	0.6
553.24420	16.1
571.25745	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	573.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04949	1.1
53.58673	1.5
58.54657	1.4
63.08807	1.5
79.05495	2.6
81.07078	10.9
91.05499	1.9
92.21002	1.9
93.07024	2.3
109.06513	21.2
114.98267	1.4
130.06505	9.1
132.08095	7.1
137.05986	33.7
142.06570	1.9
146.05995	2.3
152.35001	1.6
154.08673	3.8
159.09172	40.9
160.07567	69.6
170.05995	10.9
185.07124	22.8
188.07013	1.9
202.08627	100.0
211.08624	2.3
217.09718	1.7
219.11276	8.4
232.11302	1.7
245.09279	2.2
249.13901	3.3
250.12268	2.8
253.13223	1.9
260.10675	2.9
267.14856	3.1
271.12219	2.0
277.13370	28.0
278.11688	6.0
283.12198	2.6
295.14438	45.9
320.09192	10.0
321.09521	3.4
323.13879	3.5
337.15424	3.1
347.37097	1.7
355.16513	34.0
466.90500	1.9
495.23981	1.8
513.24945	41.2
541.24426	26.9
555.25397	2.4
573.26855	49.0
578.41669	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	573.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
65.69083	0.8
66.49973	0.9
67.05511	0.9
73.70438	0.8
73.94811	0.8
78.81970	0.8
81.07060	9.3
83.08610	0.8
91.05489	1.5
92.40640	0.8
93.07034	1.4
95.04975	3.8
105.89128	0.9
109.06526	19.7
123.91263	0.9
130.06540	10.4
132.08072	9.0
137.06003	39.2
142.06494	1.8
144.04518	1.1
146.06139	1.7
154.08684	5.1
159.08102	0.9
159.09186	34.9
160.07582	57.5
160.08896	1.9
165.95338	1.0
170.06032	12.6
182.08427	1.5
183.09212	2.3
185.07121	20.4
187.08667	1.3
188.07130	1.9
196.07597	1.1
202.08640	100.0
208.11101	1.3
209.07144	1.3
211.08641	5.1
219.11374	8.2
222.12807	1.1
236.10855	1.8
245.09288	2.1
249.13895	1.7
250.12238	1.5
259.12378	1.5
260.10797	4.1
267.14932	4.5
277.13376	21.1
278.11758	2.3
283.12140	3.1
295.14429	44.4
320.09369	1.2
323.14008	5.1
337.15445	8.0
355.16528	33.3
389.60678	1.0
396.19278	5.8
481.22214	1.8
513.24945	38.9
524.19812	1.0
541.24591	24.7
573.27124	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	573.3035
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
55.05513	2.0
57.03444	6.3
57.07080	30.0
58.77877	0.7
64.67384	0.7
67.05503	5.0
69.07058	5.3
71.05024	0.8
71.08273	1.4
71.08632	24.5
74.29842	0.7
74.55492	0.7
81.03413	1.9
81.07057	11.9
83.08618	7.8
85.10184	15.4
93.07039	0.9
95.08614	14.0
97.10143	4.3
98.98468	23.4
102.86963	0.8
108.11217	0.7
108.13764	0.7
109.02857	3.9
109.10168	8.0
123.11749	1.6
127.03899	0.9
149.13260	1.2
155.01041	25.0
175.02458	0.8
239.23691	1.1
261.03729	1.1
274.27356	1.0
313.27353	100.0
317.06357	1.9
335.07394	1.7
381.37875	0.9
393.23776	5.3
401.28806	3.3
415.08490	0.9
537.28290	10.0
555.29059	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	573.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37309	0.8
55.05520	1.4
56.05045	1.9
65.47493	0.8
66.21676	0.8
66.93890	0.8
67.05511	13.2
68.24259	0.8
69.07079	3.6
71.05000	17.1
72.04539	1.0
73.06604	1.0
74.06094	1.5
76.05128	1.1
79.05479	1.5
81.03440	1.7
81.07083	4.7
83.08595	1.4
86.09683	0.8
86.19821	0.9
91.05505	4.1
93.07066	4.5
95.04914	1.2
95.08605	4.8
105.07059	3.9
107.04944	2.0
109.06516	1.6
109.10146	24.5
110.07190	1.9
114.09206	3.3
116.08200	1.3
119.08565	6.8
120.06631	1.0
121.06448	1.4
121.10139	1.6
131.08594	1.8
133.10156	1.5
135.11745	1.2
137.09665	5.2
147.11734	1.9
157.10104	1.5
163.11108	1.3
173.11827	3.8
175.11095	1.2
177.09784	1.1
203.20584	1.0
220.14526	4.9
229.14375	1.6
237.99457	1.0
245.19135	1.1
250.15613	3.6
273.18381	1.2
312.19189	1.8
336.19226	1.3
362.76663	1.0
440.27615	5.2
541.32251	11.6
573.35022	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23346	1.1
53.00325	1.5
55.05513	9.2
57.03444	5.6
57.07083	56.7
67.05502	19.3
67.16842	1.2
69.03430	1.3
69.07077	11.1
71.08631	60.5
75.67173	1.3
77.43741	1.2
77.69257	1.4
79.76313	1.3
81.07067	27.4
83.08628	24.8
85.10186	34.6
89.06010	1.5
91.05488	1.6
95.08607	45.2
97.10184	16.1
107.08607	2.5
108.54437	1.3
109.02901	2.3
109.10161	26.1
111.11717	3.6
111.70688	1.9
123.11696	12.3
125.09671	1.7
127.03903	3.5
137.13225	2.3
227.12852	1.8
239.23669	18.4
257.24805	7.4
313.27347	100.0
331.28406	89.8
389.95413	1.6
465.25021	1.8
521.34198	1.7
539.28650	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	575.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
68.38847	0.9
69.62863	0.7
74.38644	0.7
75.34101	0.7
81.07058	5.9
81.78721	0.7
83.04874	0.7
95.04968	1.8
108.36231	0.7
109.06516	10.1
109.26074	0.7
119.04951	1.0
130.06531	21.3
130.69850	0.8
132.04510	1.1
132.08080	3.3
136.07588	1.2
137.05975	17.4
142.06438	0.7
143.07254	0.8
154.08632	0.9
157.07605	63.9
158.06020	16.8
159.09160	19.8
160.07561	19.8
170.05991	1.6
175.08678	14.4
185.07068	11.5
186.05495	4.9
188.07115	3.0
202.08629	30.0
203.08151	100.0
209.07149	1.2
211.08720	0.8
211.24767	0.7
217.09734	9.6
219.11301	2.8
245.09308	1.0
249.13763	1.6
259.27719	0.8
275.11920	1.3
277.13370	5.9
278.11856	1.7
293.12894	1.2
295.14407	12.7
303.11407	1.0
315.89325	1.0
323.13824	1.4
339.13242	2.8
355.16446	14.4
357.14423	1.2
513.24841	6.5
515.22931	1.7
529.23999	1.6
539.22681	2.8
543.22131	1.7
557.23920	46.3
575.25201	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	575.25
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69908	1.1
59.05941	1.1
66.37266	1.3
68.06443	1.1
69.04434	1.5
69.07067	1.4
72.00714	1.3
78.74558	1.1
81.07085	1.7
85.02963	1.4
97.02892	1.7
140.07077	2.0
157.07625	2.1
157.91708	1.5
161.32578	1.3
189.05774	1.4
203.50899	1.4
253.09644	12.5
254.10419	13.5
261.51062	1.3
266.10623	7.1
267.11377	7.4
268.12103	10.9
281.09293	2.3
294.10056	8.5
295.10767	100.0
296.11548	78.5
296.14838	2.5
311.10330	5.1
312.11038	29.8
313.11826	76.6
359.82739	1.2
392.16153	5.6
394.17725	5.0
434.17023	2.1
436.18570	18.1
452.18155	17.5
454.20004	2.6
455.78818	1.4
557.24109	10.0
563.00372	1.4
575.25043	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	575.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79985	0.5
53.32682	0.4
54.10508	0.5
55.05515	4.3
56.05045	2.4
56.51209	0.4
57.03441	0.8
67.05511	15.2
68.94572	0.5
69.07076	0.7
71.05000	16.6
71.08620	1.2
72.04537	0.6
74.02431	0.5
74.06076	1.3
76.05114	1.1
79.05527	2.0
81.03431	0.9
81.07067	4.5
83.04874	0.9
83.08630	6.9
84.05614	0.6
86.85933	0.5
91.05473	4.4
93.07043	4.5
94.06605	0.6
95.04978	3.5
95.08607	4.6
96.05641	0.7
97.06548	2.5
100.05100	0.6
102.05566	0.9
103.03934	0.7
105.07026	1.3
107.08601	1.3
109.06509	1.1
109.10159	22.5
110.07174	1.0
111.08096	1.1
116.08213	0.8
119.08584	6.4
121.06546	0.7
121.10139	2.4
123.07978	0.8
125.05996	0.6
125.09696	0.9
126.06645	0.6
133.10159	1.0
136.08687	0.6
137.09607	6.2
147.11784	0.6
149.09628	0.8
151.11188	0.9
155.10696	2.2
157.10109	1.0
157.46217	0.5
158.12869	0.6
166.12296	2.3
166.13504	1.2
171.95007	0.6
173.11790	2.6
177.09851	0.7
177.12721	1.0
180.14981	2.2
182.12971	0.7
213.57623	0.5
220.14490	2.9
229.14427	2.6
232.14577	1.2
234.16035	1.0
236.13983	1.2
250.15494	0.8
275.20181	2.8
304.61804	0.7
312.19168	3.1
326.20639	0.8
328.18677	0.6
332.23318	0.6
336.19138	0.8
367.24915	0.9
442.29214	4.8
543.33887	13.1
575.36560	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	575.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.3
56.05036	4.0
56.30309	0.5
59.50314	0.6
67.05504	1.3
69.07053	0.8
70.11436	0.6
71.08623	1.4
74.02458	0.8
74.06068	1.4
79.05486	1.1
79.11327	0.6
81.07064	2.5
83.08607	1.2
84.04505	1.5
91.05470	1.0
95.08606	1.1
96.05620	3.5
97.06453	0.9
99.08112	0.6
102.05490	0.6
107.08588	1.1
109.10169	2.7
110.07172	6.1
111.04482	0.6
111.05613	0.9
116.08215	2.9
116.35006	0.8
124.11222	1.0
125.09641	1.5
125.55725	0.6
126.06618	1.4
138.10239	0.7
140.08203	0.8
152.08203	0.7
152.11867	0.8
154.12276	6.3
163.11198	0.7
164.03517	0.6
166.13530	2.1
180.15007	4.0
190.13484	0.9
194.16545	2.7
208.14458	12.5
220.13321	15.1
222.15996	5.4
223.13368	2.8
234.16083	1.4
236.17514	1.0
238.14392	0.8
250.19276	1.0
262.15494	4.0
264.20663	3.0
266.05927	0.7
278.22330	0.7
292.23853	3.8
294.17209	2.0
312.18106	3.3
326.20667	1.4
332.23364	0.7
336.18900	0.7
340.22275	0.8
342.20087	5.0
352.25812	0.7
354.20261	3.4
354.23990	0.9
360.21225	1.3
368.25681	1.4
374.97815	0.6
382.27039	1.1
396.28671	3.7
396.87000	0.7
442.29227	2.6
543.33862	10.1
575.36517	100.0
581.74933	0.6
603.70892	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	577.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	1.0
69.07070	0.7
81.07065	11.1
86.09715	1.1
91.05486	1.0
92.21525	1.0
93.07039	1.2
95.04964	1.7
96.08142	3.2
109.06522	9.7
114.09189	6.1
119.04924	1.1
120.08116	0.9
127.07555	0.9
130.06528	31.9
131.86662	0.9
132.04454	6.5
132.08084	1.3
136.07573	1.6
137.05972	16.0
146.06017	6.3
157.07605	100.0
158.06004	38.1
159.09161	17.3
173.07104	1.9
174.05489	1.4
175.08656	43.3
176.07079	0.9
177.05444	3.5
185.07086	12.6
186.05464	6.3
188.07008	2.9
190.53029	0.7
203.08145	88.4
221.09233	6.1
229.06079	0.8
275.11786	1.0
277.13434	3.3
293.12811	4.5
295.14407	3.6
298.76236	0.8
311.13922	1.6
313.15414	1.8
329.15042	2.9
339.13214	5.6
340.50012	0.9
357.14539	6.4
426.53625	0.8
497.21924	1.4
513.20941	4.5
515.22711	4.5
531.22382	1.8
541.20593	7.7
559.21777	34.4
577.23267	8.3
577.42023	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	577.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29525	0.6
58.15747	0.9
58.36594	0.7
69.03456	1.1
81.03438	1.7
81.07069	5.5
84.08112	0.8
85.02905	5.3
87.00846	1.8
91.05457	0.9
92.21535	1.5
93.07061	1.0
94.06557	1.2
95.04990	1.3
97.02898	3.7
107.04975	8.3
109.02901	1.3
109.06484	8.3
119.04972	1.0
120.00047	0.9
120.08160	1.1
126.09109	0.8
127.03906	4.6
130.05641	1.5
130.06532	28.0
132.04451	7.3
132.08093	1.8
136.07614	1.4
137.05980	20.5
145.05013	1.2
157.07616	99.6
158.06007	31.2
159.02885	1.3
159.09175	12.4
175.07402	2.0
175.08702	39.2
185.07103	14.9
186.05504	7.3
187.07558	3.8
188.07141	1.1
189.08966	0.9
203.08154	100.0
204.06592	1.7
221.09196	6.7
231.07982	1.0
244.47804	1.0
249.14030	1.0
262.61600	0.9
275.11847	1.4
277.13297	1.7
281.11417	1.0
286.44232	0.9
289.23273	1.2
293.12912	2.1
295.14331	4.3
311.13235	5.1
314.99832	1.0
329.14996	1.3
330.72797	1.0
339.13428	5.0
357.14383	5.9
391.69180	0.9
416.04062	1.2
454.91605	1.1
497.22073	1.4
513.20856	3.2
515.22760	4.4
541.20868	7.1
559.21930	36.4
577.23138	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	577.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
65.54369	1.1
69.07055	1.3
83.08632	4.9
91.17081	1.4
130.06532	23.9
132.04475	2.7
132.08058	3.2
139.07495	1.9
157.07613	71.2
157.08900	2.4
158.06032	31.8
159.09183	44.2
160.07564	39.7
170.06021	8.8
175.08653	30.6
185.07092	14.7
186.05510	14.2
188.07069	2.4
196.07635	6.4
202.07245	1.2
202.08626	57.9
203.08153	65.9
216.06889	1.7
217.09657	12.0
219.11349	5.7
221.09247	6.3
251.15488	4.5
269.10513	1.6
277.13461	2.8
279.14932	26.3
280.13385	2.0
295.14447	5.1
297.15982	100.0
301.59772	1.3
313.15555	2.3
315.16901	2.5
325.15320	7.5
339.16943	2.7
341.15329	1.5
353.82971	1.5
357.18051	29.5
359.15973	5.0
393.08221	1.6
490.98767	1.8
499.23114	5.7
515.26483	15.4
517.24249	12.8
527.22864	2.2
531.25940	5.3
541.24249	5.7
545.23730	7.2
559.25476	44.7
577.26447	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	577.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23411	1.2
55.05519	2.3
56.05046	12.5
58.78088	1.5
60.05650	13.3
64.47255	1.3
67.05499	3.7
69.07057	3.9
70.06574	3.1
71.08629	2.0
72.04514	6.9
74.06086	1.8
76.05122	15.4
79.05499	2.3
81.07058	3.8
85.80145	1.8
86.09692	3.1
89.06034	2.4
93.07011	2.4
95.08611	2.5
96.05680	1.8
96.08119	12.9
97.06544	2.3
102.05526	1.9
107.08585	2.5
109.10167	4.0
110.07176	10.9
111.05562	9.5
111.07980	7.8
113.10783	3.4
114.09167	68.4
115.07569	1.9
115.09515	20.2
116.08199	3.0
116.09729	2.1
118.05005	7.8
119.08611	2.0
120.06514	1.8
125.09581	2.9
127.03998	2.1
129.10243	1.8
132.10214	2.6
141.81435	1.7
160.07190	11.3
166.13391	9.1
177.08531	3.2
177.09998	12.5
184.14473	2.3
193.12216	3.0
209.16470	9.2
210.16800	8.5
214.15643	1.8
226.19170	2.7
227.17558	2.9
228.15906	15.3
229.16275	8.8
230.16504	2.5
296.38095	1.8
312.19250	3.8
322.25067	3.6
323.25180	3.9
330.21024	1.8
365.23102	3.2
388.89090	1.9
427.49930	1.7
440.27771	2.8
458.28821	8.0
559.32440	9.5
568.43622	3.0
576.93817	44.0
577.19708	2.8
577.34015	100.0
577.43610	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	577.5303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	10.3
57.07087	6.4
57.52442	4.0
60.61865	4.2
67.05503	11.3
69.07066	20.6
70.16380	4.2
72.26235	4.3
81.07076	32.5
83.08613	17.8
93.07001	5.9
95.08605	29.2
97.10150	8.1
100.07597	6.0
109.10177	21.8
111.08104	6.6
113.09653	5.0
113.10501	4.5
121.10132	5.4
123.11721	4.6
126.40292	5.0
132.80260	4.3
133.10155	7.0
135.11659	4.7
137.13269	5.2
161.13162	4.9
167.35054	4.1
183.35059	4.3
185.93855	4.6
217.59227	4.3
245.22543	9.0
250.15720	4.5
263.23721	19.8
280.26318	100.0
532.13892	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	577.5303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	2.6
55.05520	10.3
57.07074	6.6
61.43296	2.5
61.67121	2.3
67.05505	21.7
69.07081	28.1
72.84961	2.5
79.05496	10.0
81.07060	39.5
82.01533	3.0
83.08626	25.5
91.05485	4.1
92.21476	3.7
93.07047	13.9
95.08611	36.8
97.06535	5.0
97.10164	13.7
100.07606	5.1
105.06999	3.3
107.08577	3.3
109.10168	20.7
111.11749	3.0
119.08564	11.7
121.10136	11.6
123.11711	14.6
128.10747	4.0
133.10103	13.3
135.11664	6.4
137.09647	2.9
143.70177	2.7
147.11690	10.7
149.13313	2.8
161.13255	11.2
163.14824	2.7
174.53088	3.2
179.18042	3.9
205.71791	3.1
209.37848	2.9
235.88414	3.3
245.22609	15.6
245.36092	3.0
263.23746	21.2
274.84402	2.8
280.26337	100.0
334.28156	2.8
494.35510	3.8
577.41846	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	578.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
60.40210	0.3
71.15612	0.3
76.19447	0.4
78.56691	0.3
87.71864	0.3
92.21539	0.5
99.54741	0.4
101.44545	0.4
103.90440	0.3
106.47746	0.4
120.56872	0.3
123.57685	0.4
157.07687	0.8
160.07625	0.4
193.13123	4.7
196.09482	0.4
202.08751	0.7
203.08414	0.4
203.33063	0.3
210.11072	1.6
229.99564	0.4
235.17863	2.8
238.14186	0.6
289.29752	0.4
297.16281	0.4
298.16321	0.5
363.22540	50.0
391.25656	56.0
405.27255	11.3
513.82983	0.4
560.24707	0.5
578.37781	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14818	0.4
55.01881	1.1
55.10168	0.4
57.03409	0.6
69.03445	3.3
69.49773	0.4
73.02935	0.4
81.03409	3.0
81.25936	0.4
81.45014	0.4
85.02908	4.7
87.00819	2.9
97.02888	2.1
99.04398	0.7
105.01823	1.6
109.02879	3.7
117.01849	0.5
127.03916	2.7
130.49461	0.4
145.04994	0.8
159.02939	0.9
167.03418	0.7
192.99384	0.4
207.04332	0.5
228.74921	0.4
288.06293	0.8
299.05496	0.6
316.05737	10.4
331.08112	100.0
566.34637	0.5
579.13354	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	579.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37695	0.3
53.79715	0.3
55.39960	0.3
56.05032	0.4
69.86645	0.3
70.06591	0.7
70.95405	0.3
71.05003	3.4
84.08151	0.6
84.52744	0.3
85.02920	4.8
86.09734	0.8
92.21310	0.7
93.18652	0.3
97.02880	0.4
105.18517	0.5
109.10160	0.4
120.08062	0.6
127.03964	0.6
128.98758	0.5
129.05457	0.4
129.10262	0.4
133.10080	0.4
137.05983	0.5
143.70393	0.4
167.07011	0.4
169.12254	0.5
187.13284	0.5
235.59535	0.4
271.06003	100.0
433.11298	27.3
579.16077	3.3
579.30841	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	579.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48706	0.7
68.77074	0.7
69.07082	1.0
70.06596	10.4
72.08157	1.1
77.28231	0.7
83.08614	1.9
84.08154	1.0
86.09709	3.3
109.00719	0.9
111.08117	0.9
116.07098	1.2
120.08086	1.5
129.07867	0.8
130.06526	19.3
132.04439	3.4
136.07591	1.1
139.07539	1.0
152.35936	0.9
157.07607	81.2
158.06006	22.4
159.09177	9.2
175.08649	29.4
183.14943	1.0
185.07095	6.9
186.05479	12.6
203.08156	100.0
204.06595	1.1
205.61476	0.9
214.08266	0.9
221.09209	5.1
223.20900	0.9
277.13281	1.1
279.14847	4.4
295.14688	1.1
297.15945	5.8
299.05475	1.4
299.96637	0.9
300.07513	0.9
313.15417	1.3
331.08167	12.6
341.14655	1.1
359.16165	5.9
494.27823	2.6
499.23038	1.3
515.23022	2.8
517.24341	4.5
533.23480	1.1
543.22388	7.5
561.23444	27.4
579.24530	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	579.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	2.4
56.05026	4.3
57.19753	1.5
67.05479	2.3
68.73472	1.7
69.07056	2.8
70.06598	2.6
72.04507	9.6
72.08147	1.8
74.06073	9.0
76.05138	13.7
79.05483	2.4
81.07069	4.0
83.04990	2.0
83.08630	7.2
84.04509	2.3
86.09694	2.5
90.70470	2.0
91.04012	2.4
95.08636	3.5
97.06509	2.2
98.06031	1.8
98.07152	2.9
99.08089	2.2
109.06513	1.8
109.10163	3.5
111.08059	2.9
116.08216	4.0
118.05008	10.7
120.06532	1.9
125.09630	2.0
126.06616	3.2
127.07469	2.6
130.06520	37.2
132.04482	3.7
132.08087	7.4
140.08200	4.3
146.06009	42.6
154.12267	7.5
155.10651	2.0
157.07617	94.3
157.08891	4.1
158.06010	67.8
159.07849	3.3
159.09174	100.0
160.07167	18.7
169.07651	2.1
170.05956	8.0
173.07080	51.6
174.05508	7.0
175.08635	54.0
177.09851	18.9
177.79549	2.0
186.05489	3.9
187.08714	3.0
188.07077	22.1
201.06654	3.6
202.04965	9.0
203.08179	38.3
210.16032	2.3
219.07649	3.9
221.09169	10.8
237.08577	2.5
241.30110	1.8
250.15465	3.5
275.19839	1.9
279.14966	8.4
280.13000	2.0
295.14468	4.1
297.15994	45.0
315.16995	11.7
325.15665	3.3
331.16458	2.3
342.20215	3.3
343.16467	7.4
357.14526	2.8
359.15958	8.6
360.21335	8.0
367.24908	8.1
375.15833	2.1
380.12524	1.9
382.23062	4.4
437.36276	2.0
454.13156	2.2
461.25830	3.3
499.23172	3.8
515.22992	19.8
517.24640	16.8
532.20355	2.6
533.24194	3.6
543.21844	13.1
561.23218	58.0
561.34283	11.1
579.24365	9.5
579.35901	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	579.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55409	0.6
54.16530	0.5
55.03058	0.7
55.05511	0.7
69.07075	0.7
74.20251	0.6
83.08623	4.4
103.41082	0.7
109.06530	1.3
111.08090	0.9
114.09170	3.7
117.29241	0.6
125.09915	0.7
130.06520	31.6
132.04465	6.4
132.08093	3.5
137.06003	1.3
139.07556	1.3
146.05959	5.7
156.10202	0.8
157.07607	100.0
158.06009	33.7
158.08003	0.9
159.09174	18.8
167.07056	0.9
170.83260	0.7
175.07135	1.5
175.08647	44.2
175.10097	1.6
185.07076	13.2
186.05486	18.4
188.07137	1.3
199.08844	0.8
203.08154	84.9
204.06567	1.3
204.08501	1.1
221.09262	9.4
239.96333	0.9
248.85075	0.9
277.13248	1.2
279.14880	4.5
295.14310	4.2
297.16006	8.1
312.89838	0.7
313.15433	3.9
315.17047	1.3
323.13687	0.8
341.15012	3.4
355.07761	0.7
359.15933	6.9
415.38113	0.8
469.31519	0.8
499.23059	3.1
515.22760	4.4
517.24420	7.8
533.23785	3.0
543.22467	9.7
561.23425	27.6
579.24286	10.2
579.34460	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	579.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98904	2.1
56.37948	2.1
57.48541	2.3
60.18387	2.1
60.85178	2.3
67.05520	2.4
67.16540	2.6
81.07050	4.4
83.08609	4.3
93.07079	2.8
107.03560	3.0
117.05791	4.6
125.46793	2.4
127.03883	3.0
130.06526	69.5
132.08081	11.5
136.07478	3.2
137.06015	10.6
144.08138	3.2
146.05998	39.7
156.10262	3.3
157.07614	25.2
157.08708	3.2
158.06035	20.5
158.08177	4.6
159.09183	100.0
170.06024	12.9
173.07097	12.0
174.05511	5.0
174.07849	5.7
175.08507	18.0
185.07108	3.5
187.06270	27.8
188.07039	22.7
196.07555	3.2
202.08707	5.5
203.08119	29.8
204.08534	6.2
219.07690	9.8
231.20599	2.9
240.68585	3.2
279.15094	3.5
297.15970	30.6
298.16312	3.8
299.16608	3.6
315.16898	18.8
325.15466	3.9
331.08124	17.5
343.16275	3.7
344.04205	2.7
417.18954	3.2
561.24188	12.5
579.24506	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	579.2771
Annotation	Brialalepolide B
Peak:m/z	Relative Intensity
60.04519	0.4
66.38084	0.3
69.07058	1.7
84.44437	0.4
86.09705	24.1
87.05581	0.5
89.85162	0.4
100.29792	0.3
102.05571	0.7
103.05466	0.7
112.03973	6.3
120.08102	100.0
120.14422	0.3
126.82230	0.3
130.04965	0.3
133.06090	6.1
139.05034	0.7
141.06648	0.4
150.16537	0.4
157.07642	0.6
169.06061	8.0
170.36717	0.3
177.10223	11.5
179.66490	0.3
187.07091	0.6
199.07640	0.4
203.08107	0.4
215.20435	0.3
229.11806	0.6
233.16434	0.8
246.14468	8.4
246.16827	0.5
250.37897	0.4
261.16150	0.5
270.12308	0.4
280.28665	0.3
288.13397	3.0
306.14490	3.8
318.18130	0.4
334.13953	21.9
345.51669	0.3
419.22803	2.3
447.22360	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	579.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.4
55.05519	5.0
57.03438	2.7
57.07085	2.5
67.05185	1.6
67.05515	38.0
69.03432	1.1
69.07074	7.4
71.08633	2.1
73.02921	1.9
75.21854	1.1
79.05500	14.3
81.03407	2.0
81.07065	57.4
83.08609	5.5
85.02889	2.1
85.06558	2.3
90.32121	1.2
91.05502	6.6
92.21300	1.8
93.07047	32.0
93.66609	1.0
95.05013	1.3
95.08609	49.8
97.02935	1.4
97.06533	1.6
97.10185	2.6
99.04456	1.5
105.07032	10.7
107.08595	35.2
109.02868	6.8
109.10162	30.7
111.04465	2.7
117.07034	2.9
119.08565	12.6
121.10139	35.5
121.55762	1.2
123.11716	16.2
124.34628	1.3
127.03966	4.9
127.37639	1.3
131.08569	18.4
132.99568	1.5
133.10136	12.7
135.11703	33.8
137.13240	5.9
145.10121	15.3
147.11661	11.6
149.13271	21.3
151.14857	2.3
152.43745	1.2
159.11693	13.8
161.13219	11.1
163.14862	13.1
173.13269	14.6
175.14818	2.7
177.16336	2.7
179.14203	1.7
187.14888	9.3
201.16365	1.5
205.15858	1.6
238.10901	1.6
243.21123	19.6
261.22134	71.3
279.23151	5.7
335.25806	14.7
353.26862	100.0
354.07886	1.4
369.23865	1.4
373.80338	1.3
377.26703	1.9
469.22467	2.4
487.23471	2.7
507.24582	1.6
525.24988	2.8
561.26984	16.9
579.28503	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	580.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
61.19269	0.6
66.31342	0.7
70.06594	2.8
72.08164	1.1
84.04466	0.6
84.08157	1.0
85.02915	1.5
86.09701	3.0
91.05480	1.1
105.19702	0.7
118.44990	0.7
119.04956	6.3
120.08100	2.7
136.07594	2.6
139.82870	0.6
146.03822	1.2
147.04434	10.0
157.04065	0.8
175.03903	43.6
207.06528	100.0
225.07590	1.2
284.64410	0.7
351.10699	1.3
369.11984	1.1
370.84607	0.6
393.27194	0.7
393.32816	0.6
401.14310	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	580.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07051	0.4
83.44653	0.2
85.02875	0.2
112.48898	0.3
131.14020	0.3
139.82239	0.2
194.11526	100.0
196.09361	0.7
199.51611	0.3
236.16208	8.5
238.14136	17.5
270.30783	0.3
282.45911	0.3
365.24063	15.2
367.21982	1.1
407.28839	1.5
409.26688	6.3
437.65881	0.3
575.28339	0.3
580.32727	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	580.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07051	0.4
83.44653	0.2
85.02875	0.2
112.48898	0.3
131.14020	0.3
139.82239	0.2
194.11526	100.0
196.09361	0.7
199.51611	0.3
236.16208	8.5
238.14136	17.5
270.30783	0.3
282.45911	0.3
365.24063	15.2
367.21982	1.1
407.28839	1.5
409.26688	6.3
437.65881	0.3
575.28339	0.3
580.32727	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	580.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05786	1.1
55.05516	7.4
57.03439	6.5
57.10819	1.1
59.07102	1.3
67.05516	33.5
69.07063	13.4
71.05013	2.2
75.37104	1.2
76.67302	1.3
79.05504	16.7
81.07064	65.0
83.05009	2.4
83.08616	7.3
85.06573	2.3
91.05491	20.1
93.07053	24.1
95.08617	27.9
97.06523	3.2
99.08103	2.1
105.07036	26.8
107.08598	23.5
109.06554	2.3
109.10181	8.9
116.78549	1.7
117.07055	1.5
117.51828	1.4
119.08593	22.1
121.10134	24.5
123.08097	2.5
123.11707	31.1
127.07525	2.0
131.08577	5.5
133.10130	2.8
135.11691	7.8
137.13242	2.2
145.10120	3.0
147.11693	66.5
149.13293	2.0
159.11736	1.5
165.12724	16.3
183.13895	1.6
243.21053	1.4
261.22171	9.5
267.15921	39.2
285.16986	26.2
335.25800	33.7
527.37378	3.2
545.38379	100.0
545.46741	3.3
563.39594	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	581.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.2
57.03436	0.6
59.04985	0.3
60.07835	0.2
69.03436	5.5
70.06577	0.2
81.03426	0.4
85.02437	0.3
85.02914	5.9
87.04465	4.1
90.97023	0.2
97.02895	4.3
97.12196	0.2
107.33864	0.2
115.03943	2.8
127.03879	0.4
133.04961	2.0
145.04994	0.5
151.38284	0.2
152.12321	0.3
153.01814	0.3
177.05389	0.2
287.05496	100.0
299.05576	0.3
329.06732	0.5
449.10760	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	581.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.4
69.03442	1.8
70.06588	4.5
70.15983	1.1
72.08161	1.4
73.02928	4.4
84.08153	1.5
85.02911	5.1
86.09713	26.8
87.10036	6.5
97.02884	4.8
102.05507	1.4
110.07118	1.3
112.03973	2.4
118.83881	1.1
120.08106	71.0
121.07662	1.8
121.08446	31.4
122.08775	6.4
133.06105	6.1
137.05916	1.6
169.06096	5.0
171.06377	1.1
177.10182	8.7
178.10474	2.0
179.10825	1.5
246.14508	2.7
247.14812	1.5
248.14886	1.4
279.47916	1.2
286.66357	1.4
287.05490	100.0
313.34457	1.5
334.13947	7.9
335.14252	5.5
336.14410	8.8
448.22568	1.6
449.23053	11.0
523.95703	1.3
581.31201	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	581.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	8.1
61.24217	1.2
65.03944	12.3
67.05533	1.7
71.01336	1.4
71.47292	1.3
78.56109	1.2
79.05498	2.3
82.77635	1.4
85.02914	2.1
85.54425	1.3
93.03409	9.2
105.06986	1.3
107.04948	8.5
110.03662	16.1
111.04447	27.4
121.02873	25.5
125.05981	24.5
125.94484	1.3
129.70821	1.5
135.04425	3.0
137.05983	2.0
145.06409	1.4
147.07986	1.6
151.03918	59.7
153.05475	90.9
167.07045	6.1
173.05951	5.7
175.07600	2.3
177.05444	1.6
178.06267	8.2
194.11554	1.6
201.05515	3.0
207.08078	5.9
215.07033	2.0
218.36507	1.8
221.09708	1.7
224.08292	3.4
234.06711	3.0
235.07544	8.0
236.08406	6.1
237.09258	2.2
239.10634	1.9
245.08153	10.3
249.09084	9.9
251.07024	2.0
252.07776	20.4
263.06998	5.3
264.07831	7.8
265.08627	7.8
266.09476	2.4
267.10187	23.9
277.08600	8.2
279.06433	1.9
280.07263	8.4
281.08115	2.7
291.06619	2.4
292.07327	6.3
293.08014	6.2
295.09650	26.0
296.10416	2.1
301.00842	1.4
305.08127	1.9
306.08640	1.9
307.09531	2.5
308.06744	1.8
309.07693	3.4
312.09879	2.3
323.09131	77.1
324.09937	2.3
327.12180	3.0
335.09119	2.6
337.10632	3.4
339.11951	1.9
349.10364	1.7
351.12378	2.4
353.10049	3.3
355.11774	100.0
367.11844	7.7
368.12894	1.7
380.83676	1.4
385.12839	30.8
394.20984	1.5
581.18933	2.3
581.33612	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	581.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
90.84477	0.5
145.79968	0.5
159.29462	0.6
179.61461	0.6
244.66537	0.6
377.14703	3.2
394.17349	3.5
395.15784	62.6
537.06610	0.6
581.23724	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	2.4
67.05501	2.5
69.03420	8.2
69.07066	3.7
79.05501	1.8
81.03430	2.4
81.07059	8.5
83.04991	2.6
83.08637	2.4
85.02895	1.8
91.05446	2.2
93.07058	2.9
95.08607	2.3
97.02869	1.6
101.97465	1.8
105.07049	6.0
107.04958	3.5
107.08592	17.8
109.06503	2.2
109.10166	8.0
119.08553	3.0
121.10171	10.9
123.11703	3.4
127.03908	6.2
130.45486	1.6
131.08548	2.4
133.10130	100.0
133.33395	1.6
135.08055	9.7
135.11752	1.8
137.08653	3.0
137.09624	58.3
138.42612	1.8
145.10104	2.9
147.11697	14.3
149.09589	1.8
149.13272	13.2
157.10114	1.5
161.95277	1.7
165.12704	2.6
172.83711	1.7
173.13275	8.4
191.14311	61.9
207.07301	2.0
209.15344	12.0
229.14343	3.6
288.93777	1.6
337.16595	2.7
355.17419	3.2
414.77902	1.7
427.73923	1.7
475.16357	1.7
581.29681	2.2
581.38025	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	581.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.6
57.03452	1.3
58.97796	0.9
61.02917	1.7
61.85487	0.9
64.31573	1.0
67.05509	9.1
69.03108	1.1
69.03429	9.0
69.07063	6.8
71.04991	1.4
73.02913	1.6
79.05487	1.5
81.03428	4.9
81.07063	12.2
83.08614	1.3
85.02910	23.3
87.04482	1.8
91.05477	5.5
93.07059	9.8
95.08607	22.7
97.02334	1.3
97.02855	7.7
99.04477	1.1
105.07022	10.6
107.08611	14.7
109.02888	2.1
109.10146	15.0
109.40296	1.1
115.03907	1.1
116.02575	1.0
118.94455	1.1
119.08578	20.6
120.23675	1.0
121.10092	8.9
123.11716	1.5
125.09601	1.2
127.03918	6.4
130.95810	1.1
131.08516	8.2
133.10133	13.5
135.11697	6.5
143.08565	5.8
145.04980	2.5
145.10110	21.7
145.11064	1.3
147.11696	8.7
149.13254	4.5
155.08496	3.6
156.09317	1.0
157.10118	11.0
159.11676	11.4
161.13226	7.0
163.14873	1.7
168.43346	1.0
169.10130	7.9
171.11687	12.1
173.13226	10.6
175.14830	2.6
181.10170	2.4
183.11710	6.7
185.13344	6.6
187.14819	6.2
193.10129	1.3
195.11713	8.2
197.13315	6.7
199.14885	5.7
201.16359	5.1
207.11742	2.5
208.12570	1.6
209.13292	8.3
211.14827	7.0
213.16422	4.6
221.13264	5.1
223.14758	8.8
224.15503	1.5
225.16344	8.5
227.17946	1.7
235.14879	5.1
237.16319	11.7
239.17915	5.8
241.19511	2.3
243.20886	1.3
249.16461	4.6
251.17920	7.5
253.19513	5.8
263.17868	3.4
265.19528	5.7
267.21146	2.4
277.19614	6.6
279.21103	2.0
289.19278	2.0
291.21140	6.6
292.21893	5.4
293.22614	1.4
305.22476	1.2
318.66711	1.1
319.24323	4.5
331.24332	1.8
333.25616	1.5
359.27316	1.2
361.28918	1.8
401.31973	36.1
407.31995	1.2
407.89435	1.3
419.33026	28.4
430.01761	1.3
545.36560	1.7
563.37457	8.3
581.38379	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	581.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37369	1.1
55.05513	2.3
56.23566	1.3
57.03449	1.5
57.07066	1.2
61.02921	1.5
61.68837	1.3
65.89990	1.0
67.05508	8.3
69.03417	9.1
69.07072	6.3
79.05511	2.9
81.03462	2.0
81.07060	8.6
83.08673	1.5
85.02909	22.5
87.04492	2.3
91.05466	1.3
93.07049	11.3
95.05001	1.8
95.08609	24.1
97.02892	6.4
99.04458	1.6
105.07014	9.6
106.09216	1.2
107.08578	14.4
109.02894	2.2
109.10155	19.3
119.08580	18.5
121.10126	9.9
123.11682	3.0
127.03931	7.3
128.92789	1.5
129.07054	1.5
131.08583	7.7
133.10095	13.3
135.11690	6.3
143.08598	6.9
145.10149	14.1
147.11694	13.7
149.13301	6.3
157.10158	11.9
159.11710	14.8
161.13190	8.9
163.14806	1.4
169.10129	8.0
171.11656	13.2
173.13248	11.3
175.14873	9.9
181.10158	2.9
183.11739	7.3
185.13318	8.7
187.14824	9.0
189.16345	2.1
195.11700	2.2
196.12469	2.1
197.13284	2.9
199.14915	5.5
201.16411	3.2
209.13316	5.3
210.14171	1.4
211.14850	6.5
213.16371	9.0
215.17952	1.7
221.13303	2.2
223.14876	6.7
225.16452	6.1
227.17973	5.2
235.14894	2.4
237.16434	8.6
239.17969	7.6
247.14702	1.6
251.17996	5.2
253.19601	8.0
255.21260	1.6
263.17941	2.5
265.19571	7.0
267.21216	1.6
273.26978	1.4
277.19632	2.6
279.21085	2.5
291.21130	2.7
305.22754	1.9
337.25491	2.1
345.25958	1.9
401.32022	38.6
419.33148	28.5
469.83612	1.4
527.34851	1.9
563.37579	9.4
581.38379	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	581.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.9
57.03440	1.5
61.02920	2.4
66.80560	1.5
67.05516	11.7
69.03433	17.5
69.07058	8.8
79.05493	3.4
81.03433	8.2
81.07066	17.5
83.05002	2.0
83.08621	2.5
85.02908	27.0
91.05471	3.7
93.07037	14.8
95.08610	34.2
97.02879	11.6
99.04458	6.3
103.39907	1.3
105.07027	11.3
107.08591	26.5
109.02876	3.2
109.06536	2.3
109.10144	21.6
117.07037	2.0
119.08579	30.8
120.28175	1.6
121.10125	17.6
123.11654	2.7
127.03847	11.3
129.06956	2.4
131.08565	11.2
133.10121	43.4
135.08034	3.2
135.11717	8.4
137.09605	24.5
137.76004	1.5
139.48904	1.5
143.08549	6.8
145.10115	23.2
147.11711	18.5
149.13268	9.8
157.10115	14.4
159.11671	20.4
161.13281	11.1
163.14862	3.4
169.10147	7.9
171.11678	15.7
173.13248	18.8
175.14810	6.7
181.10127	1.8
183.11684	8.2
185.13281	9.7
187.14807	15.0
189.16420	2.6
191.14278	16.9
195.11722	3.2
196.12442	1.9
197.13258	9.9
199.14804	12.3
201.16336	9.4
203.18094	3.1
207.11674	2.5
209.13399	3.1
209.15279	2.8
211.14828	7.2
213.16431	11.4
215.17995	3.7
221.13216	2.3
223.14906	3.0
225.16359	6.3
227.17928	3.1
231.17442	2.6
235.14824	2.3
236.86348	1.7
237.16324	9.3
239.17946	6.1
249.16393	3.4
251.18124	2.8
252.18579	2.6
253.19449	3.7
255.20967	1.9
263.18341	2.1
265.19550	2.9
267.21237	1.7
277.19522	3.3
291.21222	3.7
292.21887	3.2
293.22507	3.4
305.22772	2.0
321.25812	2.0
332.18106	1.9
333.25662	1.9
361.28870	3.1
401.31998	33.8
408.25076	1.7
419.33130	34.8
545.35809	2.1
563.36890	8.6
581.38269	100.0
605.12653	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	581.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.8
57.03445	0.8
57.07048	0.6
58.87488	0.6
61.02929	3.1
67.05511	5.0
69.03431	8.3
69.07069	6.4
70.06595	1.3
71.05003	0.8
73.02926	1.1
79.05496	1.1
81.03432	4.1
81.07063	7.7
83.08601	0.8
85.02908	19.2
87.04456	1.2
89.03903	0.7
90.29345	0.7
91.03953	1.2
91.05479	1.6
93.07043	5.6
95.04978	0.9
95.08620	18.4
97.02888	8.3
99.04477	3.5
105.07048	8.2
107.08604	10.4
109.02882	1.5
109.06605	0.7
109.10167	11.5
115.03916	0.8
117.03423	3.1
117.07053	1.1
119.08579	11.3
121.10130	9.2
121.32937	0.6
123.11709	3.9
127.03880	6.7
131.04884	0.8
131.08560	5.5
133.10133	9.4
135.11707	4.6
141.05267	0.9
143.08580	4.4
145.02853	27.1
145.05013	1.0
145.10141	10.8
146.03183	11.8
147.11694	8.4
149.05975	1.4
149.13295	4.3
155.08543	1.1
157.10107	8.9
159.11674	11.5
161.13231	5.4
169.10156	4.1
171.11679	7.6
173.13243	7.8
175.14767	5.6
177.05472	49.3
177.16370	0.8
178.05807	26.3
181.10074	1.9
183.11711	6.2
185.13245	5.6
187.14832	5.9
195.11725	4.0
197.13272	5.8
199.14726	6.7
201.16356	1.7
207.11743	1.5
208.12682	1.1
209.13144	5.6
211.14888	4.6
213.16322	7.8
215.18044	1.0
221.13251	1.8
223.14819	6.1
225.16408	3.2
227.18024	4.7
233.13411	0.9
235.14917	3.5
237.16238	5.9
239.17998	3.9
241.19511	1.7
247.14960	0.8
249.16388	3.3
251.18062	5.0
253.19437	6.9
263.17993	1.6
265.19498	8.2
267.21146	2.7
275.17978	0.9
277.19507	6.8
279.21143	4.3
281.22659	1.0
289.19302	0.9
291.21149	3.0
292.22012	1.3
293.22552	1.2
305.22672	3.1
317.22736	1.3
319.24277	1.1
345.25699	1.3
379.24585	3.1
397.25681	0.9
401.32071	34.6
419.33069	17.0
545.36285	1.0
563.23431	1.0
563.36877	6.6
581.37610	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05559	1.8
57.03451	1.9
58.43416	1.7
65.24938	1.8
67.05509	3.9
69.03448	8.1
69.07078	4.7
72.08258	1.8
76.74543	2.1
79.05504	3.5
81.03439	3.4
81.07068	11.4
84.07505	2.0
85.02909	19.5
91.05502	3.0
93.07066	10.9
95.08616	27.3
97.02859	3.1
97.59843	2.3
105.07044	9.4
107.08607	12.5
109.02903	3.6
109.10152	20.0
111.68574	2.1
119.08569	14.6
119.16825	2.3
121.10165	13.1
123.11684	4.3
131.08597	4.5
133.10117	14.7
135.11705	3.7
143.08635	4.4
145.10146	16.2
147.11743	12.3
149.13286	8.4
155.06160	2.4
157.10141	14.0
159.11731	11.8
161.13254	4.6
163.14790	4.0
169.10161	8.0
171.11719	9.7
173.13248	4.4
175.14742	3.0
181.10155	2.2
181.26112	2.4
183.11728	4.8
185.13326	8.0
187.14839	7.2
195.11790	2.7
197.13342	4.8
199.14909	11.1
201.16403	2.8
209.13359	4.8
210.47206	2.1
211.14836	8.0
213.16386	5.1
223.14917	3.7
225.16483	4.6
227.17786	2.7
235.14865	7.8
237.16409	2.9
239.18011	4.6
241.19562	3.1
249.16481	3.4
253.19633	4.0
263.18015	3.0
267.21100	3.2
277.19601	3.5
279.21259	3.5
289.47351	2.2
291.21091	3.2
293.22623	2.7
401.32101	44.0
419.33072	35.8
531.40808	2.2
545.36609	2.8
563.37122	7.0
581.38452	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	7.9
64.27367	1.2
67.05514	16.7
69.07076	10.0
79.05506	11.3
81.07061	23.9
83.08639	5.3
91.05487	6.8
93.07047	13.5
95.08605	22.8
95.47343	1.3
97.10167	2.5
99.08103	1.3
105.07018	9.5
107.08606	11.8
109.10174	11.0
111.19608	1.5
117.07033	6.2
119.08585	15.2
121.10175	10.8
123.08116	1.6
123.11677	1.4
129.07045	8.5
131.08585	10.9
133.10127	12.6
135.11693	6.0
141.07048	2.0
143.08574	11.4
145.10144	13.9
147.11740	6.5
149.13275	3.1
155.08583	5.1
157.10130	13.8
159.11674	12.2
161.13275	1.9
161.45219	1.2
167.08577	1.4
169.10115	9.2
171.11676	10.6
173.13268	9.6
175.14845	1.9
181.10228	2.6
183.11678	9.3
185.13232	12.9
186.80226	1.3
187.14871	3.1
195.11801	2.5
197.13281	9.9
199.14853	9.1
201.16541	2.2
209.13394	1.6
211.14864	6.5
213.16405	4.9
216.40401	1.2
223.14841	1.3
225.16353	6.4
227.17993	2.4
233.84955	1.4
248.13626	1.5
258.27847	4.8
263.20255	1.4
433.61542	1.4
502.00699	1.3
506.24582	1.3
516.96100	2.0
517.40631	3.0
549.43024	16.0
581.45654	100.0
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
53.36524	0.9
55.05517	6.1
57.07101	1.6
62.06096	1.5
67.05508	15.0
69.07064	10.3
74.88432	1.0
79.05499	10.8
81.07067	23.9
83.08624	6.0
85.06542	2.1
91.05480	8.6
93.07039	13.1
95.08614	21.4
97.10186	5.7
97.10822	1.1
105.07025	11.8
107.08585	11.6
109.10149	12.2
117.07031	7.5
119.08592	14.8
121.10149	11.4
123.08088	1.7
123.11738	3.0
125.09624	2.3
127.42627	1.3
129.07039	5.0
131.08559	12.1
133.10136	11.0
135.11699	8.8
141.06967	2.2
143.08572	9.1
145.10129	12.4
147.11757	7.5
149.13345	2.1
155.08585	5.6
157.10092	12.1
157.59709	1.2
159.11671	13.5
161.13326	6.0
169.10173	7.2
171.11671	12.0
173.13231	10.6
175.14864	3.0
178.58723	1.5
181.10083	1.3
183.11766	7.5
185.13237	12.1
187.14903	6.1
189.16513	1.4
195.11671	2.5
197.13237	9.2
199.14867	6.3
201.16443	2.7
207.11823	1.8
209.13354	2.3
211.14867	5.9
213.16394	5.2
223.14838	1.5
225.16383	2.3
227.18057	2.9
235.14973	1.9
239.17943	1.7
240.26865	2.7
241.19359	1.6
249.16531	1.5
256.26337	1.8
258.27911	86.4
261.44592	1.3
328.68436	1.4
358.19492	1.4
397.31320	1.6
416.03214	1.5
517.40753	4.8
549.43134	9.9
581.24115	5.3
581.45825	100.0
590.03168	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	582.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.1
55.05518	5.3
57.03429	3.6
61.02924	1.2
67.05505	8.5
69.03426	1.7
69.07072	4.4
71.04992	1.4
71.08625	5.5
79.05490	4.9
81.03425	39.3
81.07066	14.1
83.05000	2.2
83.08627	26.9
85.02901	6.3
91.05487	7.0
93.07046	8.5
95.04975	21.7
95.08620	4.4
97.02908	4.1
97.06535	1.9
97.10170	9.0
99.08088	7.8
105.07041	8.4
107.04919	4.1
107.08598	10.0
109.06541	1.2
109.10173	6.4
111.04436	5.4
111.08089	13.7
119.08583	7.2
121.06509	1.2
121.10140	6.9
123.08073	1.4
125.09628	19.0
129.07008	2.4
131.08575	6.8
133.10104	6.6
135.08122	1.4
135.11642	2.2
137.13087	1.1
137.14740	1.2
139.21559	0.9
145.10121	1.8
147.08078	1.9
147.11702	11.9
149.09651	8.3
151.11192	1.2
151.72833	1.1
153.09081	2.2
154.02875	1.1
156.06371	1.1
157.10129	13.6
163.11160	15.5
165.12729	7.9
171.10062	1.3
173.13213	1.1
175.11200	18.3
177.12779	2.0
189.11157	4.6
193.12239	62.3
195.13731	4.5
205.12268	1.2
211.13287	24.7
223.13275	4.3
227.12703	2.3
247.20558	1.6
267.15900	9.5
275.20059	12.9
285.16962	100.0
293.21106	36.5
367.24759	30.8
385.25839	45.6
403.26828	2.5
511.29526	1.1
582.34674	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	582.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	9.2
67.05503	24.5
67.19244	3.5
69.03432	7.4
69.07067	19.3
70.81771	3.6
79.05518	9.0
81.07058	47.9
83.04979	4.5
83.08642	5.2
85.02914	9.2
91.05492	7.3
93.07034	32.1
95.04988	7.5
95.08611	74.2
97.10184	6.9
103.03920	5.4
105.07028	46.8
107.08604	82.2
109.06476	5.3
109.10159	77.2
117.06974	4.1
119.08585	69.8
121.10141	49.4
123.08054	9.8
123.11690	16.0
125.09636	6.0
127.03933	15.9
131.08559	23.8
133.10136	46.8
135.08055	9.6
135.11699	17.5
143.08560	21.9
145.04932	4.4
145.10109	59.5
147.11725	39.2
149.09552	4.8
149.13264	15.1
157.10136	25.5
159.08049	5.2
159.11693	46.0
161.13277	27.2
163.11224	5.9
169.10109	15.0
171.11650	40.8
173.09587	8.2
173.13245	38.4
175.14806	17.0
183.11737	8.3
185.13261	16.0
187.11101	4.6
187.14813	33.4
197.13298	15.2
199.14885	17.1
201.12646	4.4
201.16307	8.1
207.11613	4.2
209.13206	7.0
211.14856	16.9
213.16399	20.6
215.14374	5.1
223.14830	9.5
225.16364	18.3
227.17966	16.7
237.16394	20.0
249.16258	6.3
251.17947	8.5
253.19495	9.5
281.22269	4.3
293.22491	6.8
294.22998	4.3
309.22144	6.2
319.24240	6.9
337.25061	5.1
359.27209	7.0
377.28271	16.0
399.30334	9.8
417.31326	50.0
435.32449	25.5
477.33749	61.3
495.34683	100.0
510.31241	4.7
511.33722	5.9
513.35321	17.1
580.73926	4.7
582.39307	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	582.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.4
57.07078	1.2
67.05505	3.0
69.03426	1.2
69.07076	3.6
79.05493	2.9
81.07070	8.8
82.80259	0.6
83.08623	1.2
85.06557	0.9
91.05485	5.0
93.07045	9.5
95.04971	14.6
95.08620	5.7
105.07041	12.1
107.04961	0.6
107.08606	12.8
109.06537	2.9
109.09534	0.6
109.10163	4.7
117.07014	3.5
118.07726	0.7
119.08585	17.2
121.06490	1.1
121.10123	11.9
123.08080	5.1
123.11718	1.6
125.89915	0.7
128.06197	1.3
129.06996	3.5
130.07797	1.2
131.08583	10.5
133.06465	1.0
133.10152	10.3
135.08034	5.8
135.11703	1.3
141.07014	0.9
142.07797	1.6
143.08560	15.2
143.96696	0.8
144.09361	1.6
145.10121	20.6
147.08078	3.6
147.11684	5.9
148.08818	1.4
149.09644	4.1
155.08511	5.0
156.09357	4.8
157.10115	15.6
158.10927	3.8
159.08029	5.4
159.11705	7.8
161.09590	4.9
161.13310	0.9
163.11201	0.9
167.08546	1.0
167.10716	4.1
168.09389	1.3
169.10146	8.7
170.10936	1.0
171.08107	1.0
171.11694	11.6
172.05650	0.7
173.09641	6.5
173.13307	4.2
175.11079	2.4
179.08562	1.4
181.10141	7.1
182.10931	3.2
183.08113	0.8
183.11679	13.3
185.09663	1.2
185.13258	4.6
187.11211	4.4
187.14879	1.2
188.11978	1.6
189.12737	3.6
191.14348	3.5
193.10179	4.4
194.10896	2.8
195.11682	11.1
196.12621	0.9
197.09677	2.7
197.13258	10.6
199.11172	5.6
199.14828	3.4
201.12788	2.9
203.14389	1.1
207.11702	5.6
208.12457	1.7
209.13284	5.9
211.11201	2.8
211.14851	3.7
212.12056	0.8
213.12779	2.7
213.16397	1.5
215.14388	1.4
217.15881	1.1
219.11766	1.3
220.12491	0.8
221.13280	5.0
223.11145	1.3
223.14795	5.1
224.11974	1.0
225.12804	3.8
225.16402	1.3
227.14389	3.6
229.12331	1.0
231.11588	1.2
233.13211	2.9
233.15352	1.0
235.14873	3.6
237.12823	1.0
237.16232	1.3
239.14276	1.4
239.17970	1.5
241.15817	0.8
245.13222	1.3
247.14890	3.9
248.15581	1.1
249.12694	1.2
251.14272	2.7
253.15942	1.6
255.17436	1.6
259.14825	2.9
261.16367	3.0
265.15872	1.0
267.17331	1.0
271.16949	3.1
273.18506	16.2
277.15881	1.3
289.15878	1.7
291.17398	1.7
297.18704	0.9
299.20135	4.0
303.17990	0.8
319.20801	1.7
325.21811	2.5
326.06543	0.8
327.20728	0.9
337.21701	5.2
338.12643	0.8
348.24918	0.9
351.23221	1.2
352.23941	33.1
353.24176	1.2
365.24951	1.4
376.24017	2.9
429.27924	0.9
444.30142	10.4
490.34421	14.3
564.39569	1.2
582.40637	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.436
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41193	3.0
55.05518	13.5
57.03429	5.3
67.05516	37.8
69.07072	28.9
79.05491	19.8
79.85204	2.8
81.07066	72.7
83.08629	15.8
85.06561	3.7
85.10159	3.0
91.05483	20.9
93.07030	24.2
95.04919	4.3
95.08595	47.5
97.06518	3.2
97.10172	5.8
105.07037	28.1
107.08636	21.6
109.06583	4.0
109.10156	12.2
119.08582	27.0
120.00361	3.1
121.10159	33.1
122.83889	3.0
123.08080	4.6
123.11707	26.0
131.08607	3.4
133.10130	17.6
135.11722	4.8
143.08585	3.9
145.10146	6.5
147.11700	72.6
157.10223	4.7
159.11649	3.7
165.12735	23.7
185.13268	4.2
199.18529	3.0
237.16063	3.5
254.68665	3.4
263.23529	3.5
267.15955	38.9
285.16922	41.1
337.27353	100.0
373.77682	3.6
437.91837	3.4
547.40002	70.0
582.40198	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	583.255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70094	0.4
52.59583	0.4
54.15207	0.4
57.20125	0.5
62.15392	0.5
67.05503	0.7
75.26118	0.5
81.07057	1.3
81.11875	0.5
83.00074	0.5
86.81738	0.5
88.71311	0.6
89.19076	0.5
92.52531	0.6
93.07048	0.8
95.04958	0.7
95.08636	1.0
105.07006	1.4
107.08586	1.3
109.10157	1.0
119.08607	3.3
121.10145	1.5
133.10179	1.0
145.10172	1.2
157.10104	0.9
195.11717	0.7
439.21762	0.8
449.19330	1.0
449.94675	0.6
451.21213	5.7
452.22037	3.0
459.57452	0.7
461.23410	1.2
463.20905	1.4
465.23434	2.5
477.19217	7.7
478.19711	8.7
479.20425	6.9
481.22485	2.3
489.23016	7.6
491.20837	10.8
495.20135	3.3
506.22583	1.0
507.20624	5.6
507.23608	4.7
508.24536	0.7
509.22034	2.7
513.21686	0.8
517.18164	0.9
524.24512	1.3
532.21228	0.7
535.19873	5.1
550.22113	20.8
552.23932	0.8
568.23297	3.2
583.25531	100.0
583.41058	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	583.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.6
56.37220	0.4
57.07083	0.6
67.00433	0.5
67.05506	1.0
67.82782	0.5
73.00893	0.6
79.05505	0.8
81.07068	3.0
81.51981	0.5
83.08621	0.6
83.23605	0.6
85.06535	0.8
88.07610	0.7
91.05460	0.9
93.07049	4.4
95.08603	2.7
102.09221	0.5
105.07034	2.4
107.08593	3.7
109.10169	2.8
117.07067	0.8
117.83288	0.5
119.08565	3.8
121.10132	2.7
123.08041	0.8
123.11738	0.7
131.08580	2.3
133.10138	3.2
135.11720	1.1
143.08600	0.7
143.15953	0.5
145.10176	2.9
147.08067	0.8
147.11691	0.9
151.07553	0.8
157.10164	2.7
158.10880	0.5
159.11726	2.5
161.09608	0.7
161.13231	0.8
163.99940	0.5
165.09158	0.9
169.10074	0.8
171.11658	0.9
171.49295	0.5
173.13319	0.9
181.10037	0.7
183.11639	0.6
185.13266	0.8
197.13324	0.7
203.04602	0.7
209.13304	1.2
219.33246	0.6
221.15349	2.1
242.24823	0.7
256.26276	4.3
295.31091	0.5
409.23816	0.8
420.23215	2.6
421.23795	2.5
423.21872	5.5
436.22699	2.4
437.23456	6.5
446.24863	0.7
448.22620	0.6
449.19708	32.7
461.19681	0.8
463.21249	56.0
464.21991	7.3
465.22867	9.3
467.20721	0.9
474.23254	0.6
475.21613	0.6
476.21957	4.8
477.22751	2.4
479.24539	3.8
481.22433	0.8
490.23862	1.0
491.24234	2.1
491.35153	4.9
505.26105	1.0
535.23438	8.2
537.24609	0.8
539.29980	0.8
550.25769	8.2
551.26825	1.1
552.27472	3.7
565.28003	0.8
583.29150	100.0
583.41125	12.2
583.50110	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	583.363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	10.7
59.29317	3.7
62.53022	3.8
63.34037	4.0
67.05505	34.0
69.03403	5.2
69.07094	33.9
77.69232	3.8
77.89242	3.6
79.05497	10.0
81.03433	4.0
81.07074	40.4
83.28325	4.0
85.02903	9.6
87.00836	4.5
90.75375	4.1
91.05469	9.3
91.73475	3.8
92.20916	5.6
92.21418	5.6
93.07049	22.2
95.08624	58.6
104.20351	3.9
105.07069	38.3
107.08602	66.6
109.02899	30.7
109.10169	71.6
119.08583	59.5
121.10152	43.0
123.11704	9.7
127.03926	27.9
131.08591	17.3
133.10150	29.2
135.11684	19.2
143.08588	19.2
145.10115	50.3
147.11714	30.8
149.13243	7.4
157.10175	34.8
159.11705	36.2
161.13242	10.6
169.10129	22.5
171.11726	26.1
173.13264	20.3
175.14818	4.7
181.10164	8.2
183.11687	20.9
185.13254	19.3
186.36469	5.2
187.14799	18.5
195.11766	27.4
197.13255	10.2
199.14813	18.9
209.13309	17.9
211.14767	9.9
221.13359	4.9
223.14867	22.2
225.16400	28.0
227.17950	7.0
232.30368	4.5
235.14821	6.6
237.16443	35.3
239.18004	18.9
241.19601	7.7
249.16309	6.6
251.17921	20.6
253.19537	17.9
265.19556	7.9
277.19400	10.7
279.21176	8.3
291.21161	19.7
292.21872	24.7
394.10718	7.1
401.32108	36.0
403.33719	6.4
410.63174	5.1
419.33371	33.3
461.34143	25.5
479.35205	48.0
505.33109	47.0
523.34180	18.8
565.35468	36.5
583.35791	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73290	1.7
55.05514	4.2
56.61779	1.7
57.03441	2.3
57.07087	2.1
61.02920	2.3
65.36609	1.8
65.68537	1.4
67.05507	15.3
68.34940	2.1
69.03442	17.1
69.07076	10.9
71.05020	1.8
79.05502	8.5
81.03432	8.9
81.07061	29.6
83.01331	2.0
83.08635	3.4
85.02911	34.2
87.04486	3.1
90.83322	1.6
91.05479	8.6
93.07037	25.9
95.08606	40.0
97.02887	15.7
99.04463	4.2
105.07030	23.6
107.08592	28.0
109.02922	2.3
109.10151	42.0
116.49284	1.6
117.07014	2.4
119.08575	39.8
121.10133	26.9
123.11710	12.0
125.20838	1.9
127.03923	16.5
129.07001	2.8
131.08582	13.1
133.10120	17.9
135.11702	11.2
143.08591	4.3
145.04968	2.7
145.10136	20.7
147.11665	18.6
149.13266	9.5
154.12273	3.0
157.10124	16.1
159.11703	17.9
161.13245	33.6
163.14809	3.6
165.12839	1.9
169.10164	8.1
171.11668	15.0
173.13246	22.0
175.14789	21.2
177.16479	7.4
181.09973	2.0
183.11728	7.6
185.13225	14.4
187.14854	24.5
189.16376	2.1
196.16788	2.2
197.13344	3.3
199.14807	20.1
201.16400	18.0
203.17986	7.1
209.13271	4.1
211.14880	8.1
213.16435	9.6
215.17973	7.3
217.15869	3.5
223.14764	3.3
225.16446	8.3
227.17993	4.3
229.19653	2.6
237.16405	3.9
239.17924	10.1
241.19438	3.6
243.21053	2.8
245.19003	2.8
251.18077	3.8
253.19522	11.0
255.20984	3.8
265.19595	4.3
267.21149	11.2
279.21216	3.6
281.22672	3.7
293.22748	4.4
294.23477	2.8
295.24179	7.7
363.30566	4.1
403.33554	49.6
421.34711	27.7
565.38928	14.2
583.39935	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.9
55.01861	1.2
55.05516	5.7
57.03446	1.8
57.07077	1.9
60.54548	0.9
61.02924	3.7
67.05508	10.3
69.03426	13.2
69.07066	12.0
73.02911	1.2
73.72544	0.9
79.05509	4.7
81.03419	4.8
81.07056	25.9
83.04979	1.5
83.08614	1.9
85.02910	33.9
86.09670	1.3
86.91240	0.9
87.04484	1.7
91.05475	4.8
93.07047	11.9
95.04967	1.6
95.08607	40.9
97.02894	13.4
97.06502	1.0
97.10165	1.7
99.04459	4.4
105.07034	17.2
107.08596	29.9
109.02888	4.6
109.10155	32.3
111.43041	1.0
117.07043	4.9
119.08579	27.7
121.10129	24.0
123.11683	11.1
127.03926	10.5
129.07016	1.0
131.08572	11.7
133.10132	18.0
135.11684	13.5
137.13245	2.1
143.08577	5.6
145.04990	2.1
145.10127	31.7
147.11684	26.1
149.09599	1.5
149.13246	9.7
151.10985	1.1
155.08595	2.3
157.10126	13.3
159.11682	25.9
161.13246	21.5
163.14824	6.5
169.10106	8.3
171.11685	16.4
173.13222	20.7
175.14839	17.0
177.16458	5.0
183.11642	11.1
185.13205	12.2
187.14821	18.7
189.16373	7.5
195.11700	2.3
197.13287	9.3
199.14822	14.9
201.16386	18.0
203.17929	7.2
207.11757	1.6
209.13235	4.4
211.14813	9.9
213.16296	10.4
215.17978	9.8
217.19418	1.4
223.14888	4.5
225.16347	8.3
227.17906	10.5
229.19557	6.3
235.14717	1.1
237.16444	4.1
238.17307	1.4
239.17972	7.5
241.19531	5.5
243.21085	8.5
249.16550	1.2
251.18011	7.0
253.19582	6.1
255.21271	3.9
263.17868	2.4
265.19550	4.6
267.21063	12.9
269.22900	1.4
277.19568	1.2
279.21127	5.6
281.22729	5.1
284.42484	1.1
291.21207	2.0
293.22583	7.9
295.24335	4.2
305.22684	1.2
307.24268	2.0
321.25644	1.6
335.27560	1.2
347.27402	2.1
363.30499	2.2
403.33612	65.2
405.35455	1.4
421.34644	37.2
547.37933	2.1
565.38983	14.8
583.39899	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	3.3
59.58977	3.1
60.98256	3.3
61.02922	5.9
64.53492	3.0
67.05499	16.1
69.03426	23.5
69.07062	16.2
79.05478	4.5
81.03402	5.8
81.07079	29.8
83.85366	3.1
85.02909	58.8
87.04473	5.4
92.21553	3.3
93.07035	21.8
95.08613	52.5
97.02882	17.5
100.82516	3.3
105.07019	16.8
107.08578	25.3
109.02880	5.4
109.10172	36.2
115.78433	3.4
116.28661	3.6
117.07024	4.3
119.08549	32.7
121.10135	23.4
123.11705	14.4
127.03919	5.6
131.08560	19.1
133.10155	25.3
135.11700	14.2
143.08534	7.0
145.10153	35.6
147.11691	16.4
149.13272	5.8
157.10124	14.3
159.11705	33.3
161.13309	25.0
163.14784	6.9
169.10098	5.9
171.11684	22.8
173.13272	21.5
175.14812	18.5
183.11734	5.6
185.13266	18.8
187.14769	25.0
189.16451	4.8
199.14810	14.7
201.16414	12.8
202.64987	4.0
203.18008	6.4
209.13263	4.9
211.14909	5.8
213.16347	7.8
215.17844	5.4
225.16370	18.4
227.17960	15.1
237.16283	13.6
239.17946	7.9
243.21333	3.9
251.17996	18.3
253.19455	21.2
259.20975	3.5
265.19461	6.3
267.21133	12.7
293.22559	15.3
294.23502	5.3
347.27338	6.7
363.30182	5.1
403.33606	81.5
408.58679	3.8
421.34650	29.5
424.41287	3.8
565.38947	4.9
583.40033	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	584.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.5
55.01881	1.7
61.02929	1.7
62.66663	0.8
68.38885	1.0
68.99770	1.2
69.03433	8.8
70.06575	1.1
73.02933	1.2
78.84823	0.8
81.03415	10.4
84.08121	1.2
85.02908	26.6
87.00838	10.5
92.20853	1.7
97.02885	7.7
99.04456	4.7
105.01874	5.3
108.67860	0.9
109.02867	11.6
117.01889	1.3
123.04419	24.6
125.11321	1.0
127.03927	10.3
129.01826	4.2
137.05957	6.4
140.04636	1.0
143.16014	1.0
145.04974	1.9
147.04401	33.0
149.05980	4.4
155.07050	1.1
159.02957	6.9
161.06021	4.4
165.05473	28.5
167.07014	5.6
168.04280	1.2
173.05986	11.3
177.05479	17.6
183.06517	100.0
189.05443	17.9
197.08076	1.2
209.08093	40.0
213.05544	2.0
215.06960	2.0
231.06586	8.2
301.10846	1.5
319.11862	8.2
335.07608	1.1
343.11725	17.7
361.12790	13.1
385.12796	20.7
409.12686	3.9
427.13895	16.8
531.14996	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	584.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06600	16.6
78.66354	6.9
82.96333	8.4
84.04519	15.5
84.08157	46.2
85.02891	7.6
86.09719	37.3
87.05614	7.4
93.79342	8.2
118.03236	39.7
129.10246	38.8
130.03241	7.4
130.05083	10.9
136.07495	10.4
146.05943	14.3
147.05838	100.0
149.07422	33.6
177.03285	38.7
188.07080	17.8
189.07335	10.2
205.09723	10.4
216.14264	8.3
231.04372	78.9
325.09952	59.3
445.34842	8.3
454.14038	52.7
526.11285	8.6
584.20227	58.6
584.28632	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	584.234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13115	1.0
52.83315	0.9
55.07962	1.0
55.64606	1.1
55.90308	1.2
56.27475	0.9
56.36430	1.1
61.72054	1.2
63.88317	1.1
70.06602	5.2
72.08161	2.4
81.03417	2.6
84.08143	1.4
85.02908	6.3
86.09716	7.6
91.05501	2.4
109.02853	1.4
119.04955	8.4
127.03938	1.9
129.10223	5.2
133.02859	20.6
133.06491	1.7
136.07661	1.9
137.05992	16.9
145.01811	1.8
145.02872	26.0
147.04385	13.2
149.05945	10.1
150.06747	2.9
151.07553	2.0
156.56468	1.3
159.43674	1.2
161.05991	6.1
162.06744	5.9
165.05457	6.6
167.06941	1.6
175.03951	20.2
177.05473	100.0
179.07021	2.6
184.07303	1.8
190.56219	1.3
193.04990	2.7
201.05475	45.4
203.06964	1.3
213.05357	1.5
224.50967	1.4
261.05350	1.9
265.08554	2.4
277.08740	1.4
290.05637	2.4
293.08066	4.8
294.08887	1.7
305.08148	5.7
307.09583	1.7
325.10703	20.0
337.10663	5.4
353.12436	3.0
355.11737	26.3
451.13861	2.2
469.15146	1.6
487.15826	7.2
495.31750	1.4
584.31213	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	584.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02575	1.1
57.27651	1.0
67.55824	1.1
79.05521	1.1
81.07072	1.3
144.04442	1.7
145.34972	1.2
149.05908	1.5
165.05505	2.9
174.05492	30.5
174.06854	1.9
176.07016	2.4
192.06558	10.0
203.03389	4.9
208.06970	1.2
219.06570	5.3
251.53285	1.2
308.09286	1.5
309.10159	4.3
324.08771	1.3
334.10822	2.6
335.72983	1.2
339.11093	6.3
340.11792	10.5
346.10950	1.6
348.08728	5.0
351.05035	1.3
352.08179	16.0
362.10278	4.8
367.10706	5.9
376.11819	2.4
386.12723	1.4
444.14789	1.2
446.19720	2.4
474.19003	9.6
492.20120	3.0
537.46350	1.2
566.23663	12.6
584.24933	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07083	3.0
59.05006	2.4
67.05492	2.5
69.07079	2.9
79.05495	4.1
81.07053	20.4
85.06557	2.8
88.07597	2.3
91.05480	5.6
93.07063	17.8
95.04956	5.6
95.08621	5.6
97.06514	2.6
105.07021	23.2
107.08599	16.8
109.10159	3.7
110.37274	2.3
117.07051	3.3
119.08581	39.8
120.98386	2.3
121.10130	13.5
123.08069	17.5
131.08607	20.9
133.10098	21.0
135.08081	9.9
135.11711	3.0
137.09610	9.5
142.07762	3.4
143.08592	23.5
144.09303	4.8
145.10121	59.9
147.08069	12.8
147.11703	4.9
151.07574	4.5
157.10127	33.0
158.10915	5.0
159.08109	2.9
159.11700	25.1
161.09695	4.2
161.13271	5.1
163.11183	5.7
165.09106	36.2
165.73824	2.3
169.10181	4.1
169.11598	2.5
171.11610	18.1
172.12514	4.4
173.13351	7.4
175.11186	6.2
181.10112	5.3
181.12248	2.8
183.11774	10.1
185.13301	10.3
187.14888	4.1
189.12750	4.1
190.13548	5.1
193.12238	6.0
195.11668	5.7
197.13290	10.3
198.13930	3.7
203.14287	13.3
207.13850	3.6
208.14423	2.5
209.13348	2.9
211.11008	3.0
211.14862	5.4
221.15312	25.0
222.66602	2.4
223.14735	3.6
227.14534	2.8
237.12733	3.3
237.16219	3.0
274.19354	4.8
287.20157	4.8
300.20819	3.1
308.37155	2.8
325.21725	4.8
337.21606	3.6
352.24011	42.0
365.24869	5.2
438.31177	12.4
442.42178	3.1
446.31601	5.4
447.99570	2.8
473.12744	2.8
491.34616	3.4
504.35922	100.0
566.41101	2.8
584.42047	34.2
584.49988	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	584.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30950	1.6
53.48235	2.4
55.05523	3.8
57.07084	22.5
65.19625	2.0
67.05501	7.8
69.03416	2.3
69.07066	11.0
71.08623	14.1
72.70592	1.8
73.06569	2.1
79.05492	11.5
80.06255	2.8
81.07073	27.0
83.08630	3.8
84.11615	1.8
85.10177	9.8
89.06032	58.0
91.05491	16.3
93.07029	26.3
95.04977	23.2
95.08618	20.6
97.06529	3.1
97.10204	2.4
105.07038	46.9
106.07896	2.5
107.08591	28.2
109.06525	3.4
109.10178	17.9
111.08063	2.9
112.70995	2.0
117.07005	10.7
119.08582	65.7
119.11948	2.0
120.09352	2.5
121.06456	2.3
121.10148	26.9
121.85997	2.2
123.08041	13.1
123.11716	2.6
125.09630	2.3
129.06987	9.2
130.07753	3.4
131.08562	30.9
132.09312	3.1
133.06514	2.2
133.08600	12.8
133.10126	39.9
134.10931	2.4
135.08069	3.7
135.11719	4.9
137.05907	2.0
137.09625	4.7
142.07788	9.7
143.08585	28.9
144.09372	5.1
144.17525	2.2
145.10127	61.2
147.08043	2.6
147.11670	23.3
149.09689	2.0
151.11124	3.8
151.51390	2.1
155.08543	8.9
156.09352	10.0
157.10139	33.7
157.73000	2.2
158.10887	3.3
159.11700	24.2
161.09596	8.5
161.13213	9.0
163.11185	3.3
163.14874	2.3
167.08624	2.4
169.10089	14.3
171.11665	26.0
173.09584	3.2
173.13254	14.2
175.14864	3.3
177.12735	2.8
181.10133	9.9
182.10959	4.3
183.11653	17.1
185.13182	6.1
187.11316	2.3
189.12726	3.2
191.14249	2.4
194.10951	4.4
195.11740	14.9
196.12442	3.9
197.13228	20.9
198.14055	3.6
199.14819	3.2
201.16412	2.2
203.14297	2.8
207.11717	4.9
209.13239	10.9
210.14001	3.4
211.14804	11.5
221.13193	8.4
223.14851	11.6
237.16331	3.1
261.16360	3.2
300.20276	2.1
329.30441	2.7
337.25168	6.9
354.25397	3.5
371.22849	4.1
382.95868	2.2
421.65704	2.5
446.31970	4.5
474.35049	3.8
492.35822	19.2
566.40057	3.4
567.44763	23.1
584.41669	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05046	5.3
60.50210	0.7
67.05502	1.9
67.69466	0.8
69.07080	2.2
79.05499	1.1
81.07060	3.6
94.40796	1.0
95.08611	2.1
101.37630	1.1
109.10160	7.3
111.11719	1.3
119.08582	1.7
120.46428	1.0
121.10169	1.2
137.09573	1.5
153.13881	1.9
154.12271	100.0
166.15910	1.3
167.14320	0.9
168.13841	9.4
171.14909	44.9
172.13339	1.3
181.16991	2.0
182.15398	43.4
184.13338	1.7
184.73206	1.0
185.16478	2.1
196.16986	3.4
199.18071	10.5
210.18535	8.2
212.07452	0.8
212.16422	3.7
214.07973	1.1
234.06070	1.0
274.41968	1.0
275.48663	1.0
319.23917	1.7
320.62485	1.0
337.24863	5.0
347.27054	1.4
355.25891	38.0
365.27856	1.3
369.27335	1.5
383.28995	29.5
397.30621	4.7
411.32272	9.4
572.72882	1.0
584.25287	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	584.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18598	0.4
56.05050	3.9
59.50683	0.4
65.39289	0.4
67.05501	2.3
69.07079	0.9
73.55122	0.5
79.05505	0.5
81.07060	0.9
85.26620	0.5
88.19334	0.5
89.28810	0.5
91.05464	0.8
91.21277	0.4
93.07005	0.6
95.08620	3.4
97.10155	1.2
100.21583	0.4
107.08579	0.6
108.00878	0.5
109.10155	6.2
111.11733	0.6
119.08601	0.7
121.10203	0.7
124.11228	0.6
125.09609	0.9
136.11241	0.7
137.09612	2.4
138.57623	0.5
140.10701	8.4
142.12251	0.6
153.13867	3.9
154.12268	100.0
157.13361	5.9
168.13789	0.9
170.11714	1.1
171.14923	45.9
172.13326	1.2
173.66245	0.5
180.17465	0.8
196.16887	5.6
210.18506	2.2
218.65196	0.5
224.20097	3.5
226.18024	1.9
299.09851	0.6
305.22101	1.1
306.20596	1.2
323.23282	2.6
341.24338	24.4
355.25906	3.7
361.28485	2.1
362.26889	0.6
369.27603	3.9
379.29434	2.6
397.30606	23.7
425.33319	0.6
550.04395	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	584.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
66.68346	0.5
69.07066	3.1
69.83180	0.5
70.06559	0.6
71.08646	0.5
80.95890	0.4
85.02884	0.5
88.48786	0.4
88.94674	0.5
92.21548	0.6
96.08127	15.7
97.06531	0.8
103.44908	0.5
108.51181	0.6
113.10765	6.6
114.09170	56.4
115.07582	1.3
132.10233	3.3
165.09145	0.6
176.04305	0.6
208.18088	1.1
209.16504	25.9
210.14938	1.0
226.19168	6.5
227.17535	19.9
228.15945	33.6
228.18159	1.2
245.18565	12.1
321.26596	0.6
322.24893	13.8
322.28421	0.8
324.12326	0.9
339.27505	1.9
340.26028	9.8
341.24316	11.3
358.26981	10.3
435.33386	2.1
453.34341	9.0
454.32773	2.5
471.35565	6.1
566.42938	7.0
584.43848	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	584.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05544	0.4
56.66029	0.4
60.71776	0.4
69.07065	2.9
70.06581	3.7
79.05529	0.4
84.04517	0.5
84.08139	0.9
86.09715	1.1
96.08128	16.4
97.06561	0.6
109.80125	0.4
113.10778	5.1
114.09164	58.7
115.07587	2.1
120.08141	0.6
129.10287	0.8
132.10191	3.7
146.89589	0.5
159.36258	0.6
183.76521	0.5
208.18076	0.7
209.16484	23.2
210.00766	0.5
210.14972	1.0
226.19118	7.2
227.17523	21.1
228.15935	28.6
228.18196	0.9
245.18579	10.9
320.09222	0.6
322.24893	13.0
324.12366	1.0
339.27606	1.1
340.25946	11.0
341.24310	11.2
358.27008	9.1
435.33365	2.2
453.34375	7.4
454.32855	1.1
471.35559	6.4
566.42780	8.0
584.43829	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	4.4
57.07072	3.5
58.33832	2.6
61.02945	2.5
67.05504	15.6
69.03437	5.2
69.07075	31.2
76.20109	2.2
79.05506	4.7
81.07059	38.3
83.08624	11.5
85.02908	25.9
91.05494	3.0
93.07055	17.5
95.08604	52.1
97.02906	5.8
97.10170	5.6
105.07037	20.4
107.08593	27.2
109.10165	59.4
111.11723	3.1
117.07009	3.5
119.08573	38.9
121.10134	33.1
123.11713	39.7
124.28996	2.3
125.00256	2.0
127.03952	3.8
131.08580	12.5
133.10124	26.9
135.11716	21.7
137.13318	5.6
138.57524	2.4
138.61984	2.2
145.04965	2.4
145.10161	18.5
147.11707	44.2
149.13290	8.0
157.10107	11.1
159.11673	18.3
161.13297	22.6
163.14784	10.2
169.10103	3.2
171.11714	12.5
173.13237	19.1
175.14830	14.5
177.16351	3.4
183.11703	8.7
185.13263	8.6
187.14825	23.4
189.16461	9.2
191.17969	9.0
199.14813	4.9
201.16414	20.8
203.17976	63.9
213.16435	5.1
215.18010	9.2
217.19553	9.2
217.95456	2.4
225.16426	3.3
227.17955	11.9
229.19435	5.7
239.17979	8.5
243.21085	4.2
253.19539	4.4
269.22641	3.2
281.22775	2.4
283.23984	2.9
312.15356	2.7
405.30087	4.4
405.35165	100.0
405.40475	3.2
423.36288	31.7
466.19720	2.8
539.22839	5.3
567.24042	2.8
567.40588	4.5
585.23492	23.3
585.41577	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	586.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77010	2.0
55.26027	1.7
55.62842	1.9
56.05042	2.9
57.32592	1.8
60.05679	3.9
63.06672	1.8
65.95425	1.9
67.05521	2.5
70.06598	12.3
71.88800	1.9
72.08156	3.5
75.54154	2.5
81.07050	2.7
81.19615	2.2
84.08150	5.1
85.02905	2.5
85.73856	2.1
86.09690	8.9
93.07047	8.8
94.06579	2.6
95.04982	3.4
97.02895	2.7
102.05541	3.1
108.08112	4.2
109.06541	2.8
111.08059	4.0
112.05090	2.6
116.07094	2.2
120.08099	3.3
121.06487	2.6
122.06039	23.3
123.04430	2.7
124.07490	2.2
128.04485	2.4
134.09651	4.0
136.05074	14.9
136.07597	26.3
137.05975	12.3
138.02985	13.9
138.09155	3.1
140.04567	10.7
140.07054	35.1
140.86961	2.3
141.05515	2.2
144.08018	2.4
149.05928	2.7
150.03009	2.3
150.06586	4.0
152.10760	3.1
154.06168	19.8
154.08647	5.6
155.03406	2.8
155.58643	2.4
156.04079	3.8
160.07249	3.9
162.02982	41.6
162.09125	45.0
163.07449	16.5
166.06157	9.6
168.04059	13.4
170.05635	3.9
172.07231	2.9
176.04602	13.1
177.05286	31.3
178.06116	50.0
180.04065	13.4
180.10190	49.3
182.05634	33.0
182.08142	4.2
190.06133	3.7
190.08664	9.9
191.06973	2.8
194.05632	36.7
195.06439	12.9
196.03557	9.0
200.06735	2.5
204.04060	15.1
205.04851	19.0
208.07202	20.3
208.09709	66.2
209.07913	13.3
210.05096	49.9
210.08434	2.8
218.05608	13.9
222.05164	2.5
222.08774	10.7
226.08244	11.5
236.06650	58.0
237.07419	4.1
238.08269	23.1
242.07735	13.5
246.04976	4.8
250.08176	37.8
254.07816	4.3
264.06204	3.6
268.09210	3.0
270.10910	3.7
278.07690	42.7
280.05621	3.4
296.08649	8.0
299.11206	3.1
310.10376	27.8
313.13058	3.7
315.10800	12.3
316.11633	10.0
329.12268	3.3
341.12582	2.9
359.13397	14.8
373.15109	3.0
377.14685	3.8
389.14569	13.1
391.16074	14.4
417.14047	100.0
418.12372	3.4
435.15103	62.0
449.16647	28.1
450.15005	17.1
451.18054	2.8
453.16147	3.3
467.17731	16.0
473.25708	3.1
568.22339	14.5
569.20447	3.4
586.23535	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	586.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35223	0.5
53.07292	0.5
65.99892	0.6
70.06601	1.6
72.17905	0.6
74.90086	0.6
84.08138	0.7
85.02906	0.9
86.09727	0.7
111.08110	0.7
120.65275	0.6
122.06044	2.9
124.07569	1.2
136.07611	2.7
145.04984	0.7
154.08649	2.6
162.09117	6.2
168.10181	14.0
180.10193	9.6
182.08163	2.6
189.59619	0.6
190.08701	0.9
208.09698	18.0
208.11713	0.7
224.09126	6.1
227.08176	0.7
241.06219	0.9
242.10349	4.0
243.11212	1.2
248.09227	3.8
269.09378	0.8
273.08902	1.0
275.10336	0.9
281.09296	1.3
287.10214	4.9
295.10751	1.2
301.08142	0.7
309.30276	0.6
311.10251	0.9
313.11844	1.0
315.09799	11.9
323.10477	1.4
325.11948	1.1
327.09991	3.4
341.11221	10.6
347.12347	10.1
353.11331	1.4
355.12793	9.5
367.09317	1.6
369.10678	1.6
373.14255	1.1
382.11606	4.0
383.12369	4.9
397.81296	0.7
401.13455	0.9
402.14038	0.9
415.15375	3.3
426.14877	0.8
472.14575	0.9
476.18463	0.8
490.15689	0.7
504.17950	1.1
536.19965	0.9
554.21240	10.5
586.23938	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	586.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.9
55.05514	1.6
55.19059	1.3
57.03435	2.3
57.07085	3.0
58.44899	1.2
60.63613	1.3
61.02924	2.9
69.03438	15.2
69.07067	6.6
71.05003	3.3
71.08632	2.2
73.02906	6.4
74.78191	1.3
81.03415	7.3
81.07037	1.8
82.80023	1.3
83.08620	7.5
85.02908	82.4
85.10175	1.9
87.04436	1.5
97.02887	88.6
97.10172	6.1
99.04442	21.8
103.03941	84.1
109.02881	15.1
111.11699	2.2
115.03916	10.7
126.49894	1.4
127.03909	100.0
145.04959	51.3
147.04401	25.9
163.06000	38.3
177.05464	3.1
227.23668	9.4
241.06975	5.6
259.08151	6.6
271.08072	4.9
279.08566	5.7
289.09235	8.2
307.10223	59.6
338.11032	1.5
403.12000	2.3
421.13364	3.2
506.35184	1.6
586.23419	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	586.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.5
55.05523	2.9
57.03431	1.0
57.07084	4.1
57.07352	0.5
58.63923	0.5
61.02935	1.4
69.03436	15.2
69.07056	6.6
71.05000	1.5
71.08631	3.9
73.02911	1.3
79.05340	0.7
81.03428	7.0
81.07058	1.1
83.08633	8.4
85.02913	70.3
85.10179	1.4
87.04472	3.3
91.03960	1.3
92.21377	1.1
92.37540	0.6
95.08611	1.4
97.02897	28.2
97.10181	6.9
99.04460	20.5
103.03951	88.6
105.07030	0.7
109.02872	12.3
111.11748	5.4
114.78291	0.7
115.03927	0.8
125.13287	2.9
125.81207	0.7
127.03920	100.0
139.14795	0.8
145.04976	48.7
163.06012	43.1
187.06064	1.3
203.17928	0.8
205.07103	0.8
227.23747	12.7
245.24742	1.4
271.08139	4.7
289.09207	8.6
289.11987	1.0
307.10245	48.8
325.11447	0.9
335.25516	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	586.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.5
53.12531	0.8
55.05474	0.7
57.03414	0.9
57.07097	2.9
61.02925	1.8
64.83572	0.7
69.03439	12.9
69.07065	8.2
69.48351	0.7
71.04978	4.2
71.08629	3.7
73.02912	2.0
81.03442	7.4
81.07050	1.2
81.79773	0.7
83.08616	8.0
85.02906	81.1
85.10191	1.7
87.04494	0.9
88.34284	0.7
89.30971	0.8
91.03949	1.4
91.76054	0.7
93.07021	1.0
97.02889	31.6
97.10177	6.4
99.04459	22.7
103.03944	92.2
109.02876	13.9
109.10127	1.0
111.11727	3.6
111.61017	0.9
115.03952	1.7
121.10123	0.8
125.13283	0.9
127.03909	100.0
139.94359	1.0
145.04956	55.9
147.11729	0.9
150.85965	0.9
163.06003	45.2
184.90263	1.0
187.06033	1.6
227.23685	10.7
245.24789	1.9
271.08133	6.9
276.00650	1.0
289.09167	9.4
307.10205	50.7
325.11169	0.9
374.60760	1.0
394.94446	0.9
406.35632	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	586.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.1
55.01881	3.5
55.05519	26.8
57.03452	27.9
57.07069	4.1
57.60791	3.2
59.46855	3.1
59.72818	3.1
67.05507	60.7
69.03433	32.3
69.07073	28.7
71.04993	5.4
73.02942	5.2
74.88007	3.1
77.35606	3.5
79.05494	69.5
81.03425	60.1
81.07059	96.6
83.04975	15.6
83.08630	19.1
85.02918	26.2
85.06569	4.6
87.04472	70.1
91.05480	51.0
93.07043	100.0
95.08611	71.8
97.02893	21.1
97.06535	7.4
99.04449	4.6
99.08077	5.0
105.05522	41.3
105.07028	63.1
107.08609	71.4
109.02871	25.2
109.06536	8.6
109.10170	35.0
111.04472	8.4
111.08076	5.4
114.68168	3.7
117.07011	31.4
119.08594	66.0
121.10152	74.8
123.08065	14.5
123.11707	8.5
125.09650	5.8
127.03928	30.7
129.07051	16.3
131.08580	52.0
133.06544	5.8
133.10133	53.1
134.72752	3.7
135.11673	51.5
137.09586	5.6
143.08560	22.9
145.10109	51.8
147.08087	5.5
147.10168	17.9
147.11699	36.4
149.09665	4.1
149.13258	25.3
151.11090	4.6
157.10156	25.7
159.08064	5.0
159.11671	46.2
161.09650	5.2
161.13255	21.6
165.60864	3.5
169.10156	8.0
171.11678	25.9
173.13292	21.5
183.11777	5.4
185.13242	16.4
187.11234	5.2
187.14833	25.5
195.11572	4.4
197.13362	5.8
199.14859	5.2
205.15857	8.1
241.19475	7.0
259.20624	24.7
277.21606	61.0
289.21594	4.6
301.21506	7.9
339.18057	6.2
363.21655	4.9
367.22556	27.0
385.23709	38.1
403.24704	36.5
421.25848	72.3
439.26831	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	587.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85497	1.1
65.68099	1.4
68.52668	1.2
69.03426	2.2
70.06590	2.3
72.08157	1.5
79.16859	1.2
81.03413	1.6
82.18011	1.4
85.02895	6.2
87.00858	2.0
97.02886	1.4
102.73254	1.3
109.02898	2.7
117.82568	1.4
127.03922	6.5
137.06000	2.5
155.20192	1.4
162.34918	1.5
165.51501	1.6
187.07500	2.0
229.06569	5.3
230.07285	1.5
233.09715	2.2
238.83249	1.4
246.06735	9.6
247.07664	2.5
249.09135	9.1
250.09906	2.0
257.05911	9.1
258.06799	2.2
259.07559	1.7
261.09113	47.0
262.06235	1.6
262.09766	2.1
263.07190	1.5
274.06268	15.7
275.06961	3.0
277.08569	20.4
278.09430	15.3
289.08582	47.8
290.09387	18.5
291.06564	5.3
293.11612	3.2
294.08826	14.8
306.05780	2.4
306.08887	33.8
307.09613	2.4
309.11270	31.6
321.11221	100.0
339.12265	11.0
361.51529	1.4
536.25275	1.6
557.16510	2.5
569.16986	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	587.286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90014	1.0
63.37151	1.2
69.93349	1.0
74.89006	1.4
77.37414	1.1
94.00738	1.0
95.59965	1.1
98.35823	1.1
113.30089	1.1
137.22498	1.4
173.54523	1.2
176.55890	1.2
197.10805	1.5
211.12344	2.2
224.09474	5.1
225.10316	2.1
225.13820	1.6
239.11760	25.3
240.12643	5.8
251.11772	4.5
253.13324	22.6
267.15002	1.6
297.12372	1.6
302.12772	2.1
316.14609	7.9
317.15271	6.3
329.16553	2.7
330.16541	1.4
331.16769	52.8
331.20517	1.9
344.17807	5.3
346.19147	59.7
360.13477	4.7
375.15625	15.1
390.18210	23.0
435.18503	1.9
467.20776	2.9
499.23798	2.3
507.20407	1.6
511.27075	3.0
513.25061	6.7
525.21240	2.5
527.18878	1.5
537.25433	1.5
539.22784	13.7
543.29657	43.0
555.26190	7.1
569.27570	7.9
587.28699	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	587.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
75.62602	1.0
80.67762	1.0
81.07062	2.2
93.07004	1.3
95.08626	2.3
105.07063	1.1
107.08585	2.1
108.19509	1.2
110.34745	1.1
114.07908	1.1
122.81306	1.1
128.69540	1.1
134.83452	1.2
148.71648	1.2
178.60846	1.3
199.75458	1.1
209.07191	1.2
225.14085	1.1
227.11830	1.6
229.34131	1.2
232.76071	1.4
239.11908	4.8
240.12717	2.5
252.12610	4.4
253.13370	10.5
255.14896	1.5
257.09073	1.0
267.15079	1.6
279.96277	1.4
302.12994	1.2
307.77560	1.1
316.14435	1.4
317.15454	2.7
325.88602	1.4
330.16196	1.7
331.17044	2.7
346.19226	5.4
354.10507	1.2
375.15558	2.4
390.18341	6.9
390.72906	1.2
443.96201	1.2
455.24158	1.3
467.20993	4.1
498.22412	1.8
513.25226	10.7
525.21082	2.6
539.22992	6.3
587.28613	100.0
587.42914	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	587.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	2.1
57.05833	0.5
57.15737	0.3
60.04532	0.5
61.84510	0.4
65.54114	0.3
65.91093	0.3
69.07063	4.2
72.08160	75.1
84.08179	0.5
86.09710	100.0
87.05598	0.6
112.03970	2.2
133.06085	7.5
140.64166	0.4
179.56412	0.4
183.11269	0.9
185.16434	1.8
196.70740	0.4
199.18065	3.3
201.12292	0.5
211.10771	24.8
213.15849	0.4
227.17482	0.8
229.11855	9.0
231.63771	0.4
246.14511	7.3
314.20743	5.2
342.20230	40.7
359.23044	2.9
427.28958	0.7
455.28635	26.0
458.29416	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	587.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	3.7
57.03432	10.3
57.07074	2.4
60.04726	2.4
67.05528	8.1
68.06286	2.5
69.03432	2.7
69.07060	4.7
71.04993	24.3
73.02917	26.1
77.07410	2.6
79.05504	2.4
81.07078	20.2
85.06548	4.1
86.66137	2.4
91.05473	3.3
93.07051	15.7
95.08616	30.2
97.06535	2.9
97.10161	5.7
99.08100	12.0
99.65989	2.4
105.07031	13.8
107.08588	36.7
109.10152	60.9
119.08547	22.7
121.10143	35.5
123.11681	19.2
125.09637	34.9
127.11200	27.4
131.08575	15.7
133.10141	15.9
135.11681	22.9
141.12755	16.6
143.08580	4.8
143.10670	32.5
145.10130	16.3
147.11707	26.9
147.27675	2.4
149.09631	3.0
149.13272	9.8
151.11221	3.4
156.11304	3.2
157.10118	4.8
159.08073	2.7
159.11668	20.5
161.13235	16.1
169.10123	4.3
171.11684	13.8
173.13268	20.3
175.14841	9.4
183.11629	5.0
185.13203	28.3
187.14807	17.3
189.16359	13.9
195.11658	4.9
197.13272	5.2
199.14738	5.0
201.12781	18.9
201.16377	9.9
203.14326	11.9
209.13257	3.9
211.14856	5.0
213.16356	5.6
217.15904	3.7
225.16472	10.7
227.17867	4.3
237.16457	4.0
239.17882	2.7
251.17896	5.2
297.21982	3.1
311.23715	2.7
320.61835	2.7
333.25626	3.1
419.33002	34.6
437.34131	66.4
455.35141	42.0
565.11133	2.7
569.38062	16.4
587.39581	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58300	3.0
53.36964	2.9
54.95609	3.7
55.05504	3.0
57.03438	20.4
57.07076	6.0
57.34157	3.9
61.02932	4.8
64.08644	3.2
67.05499	20.4
69.03413	6.3
69.07069	9.2
71.05003	38.0
73.02917	41.1
79.05504	5.6
81.07059	29.0
83.08635	7.2
85.06550	6.4
91.05474	5.1
93.07042	15.6
95.08617	39.1
97.02879	4.3
97.10163	16.4
99.08131	7.6
105.07044	15.6
107.08585	53.6
109.06481	3.7
109.10162	83.2
110.25358	3.7
117.07039	6.2
119.08603	32.3
121.10153	34.8
123.11742	39.7
125.09618	44.8
127.11190	24.1
131.08588	15.7
131.33142	3.4
133.10150	23.9
135.11713	20.4
137.13208	3.9
138.01131	4.0
141.12762	31.1
143.08594	6.7
143.10690	54.1
145.10187	27.6
147.11699	42.9
147.19353	4.8
149.13274	7.7
157.10129	21.1
159.11697	32.3
161.13228	28.4
163.14786	6.2
169.10094	14.7
171.11679	21.9
173.13249	23.5
175.14818	4.7
177.12636	4.0
179.92563	4.6
181.10051	5.9
183.11737	7.2
185.13258	35.6
186.01599	3.7
187.14815	25.9
197.13281	6.4
199.14859	17.9
201.16466	6.6
209.13181	5.6
211.14856	13.2
213.16264	6.6
215.18007	16.4
217.15936	5.2
225.16377	7.3
227.17998	6.0
239.17932	6.8
251.18024	9.4
277.19507	6.9
279.21112	8.2
293.22208	5.9
297.22217	6.9
342.99139	3.7
351.26770	5.7
392.60440	4.1
397.52765	3.7
401.31726	5.6
419.33057	60.7
421.34781	5.1
437.34232	87.6
455.35110	35.3
569.38049	23.2
587.39508	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	587.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23316	3.8
51.95839	3.9
55.05519	8.1
57.03452	34.0
61.02937	5.8
67.05510	43.0
69.03439	17.1
69.07068	24.1
73.02921	84.0
79.05502	5.5
81.07056	60.6
83.08608	6.9
85.02907	35.4
85.06562	5.5
93.07056	19.1
95.08590	44.8
97.02914	9.0
99.08080	28.7
105.07059	8.9
107.08607	30.8
109.06535	4.5
109.10163	100.0
111.68336	4.7
111.80402	3.8
115.03947	7.0
119.08583	36.9
121.10133	35.1
123.08089	4.8
123.11716	8.5
124.36320	4.2
125.09531	4.3
127.03925	4.5
127.49825	4.3
131.08501	7.8
133.10146	34.3
135.11710	8.0
145.04999	6.1
145.10123	19.0
147.11690	8.2
149.09692	5.3
149.13263	5.2
154.52017	4.3
155.08434	5.1
157.10124	8.4
159.11707	20.0
161.13251	9.9
171.11714	19.1
173.13231	20.5
175.14839	17.9
183.11659	5.5
185.13309	17.6
187.14752	7.9
189.16435	4.8
197.13120	6.0
199.14839	9.8
201.34032	4.8
211.14862	3.8
225.16426	8.0
227.17960	24.9
237.16158	5.7
239.17984	5.3
241.19527	8.3
245.19054	5.3
251.17935	5.5
269.18942	8.3
375.03915	6.1
401.32120	4.5
419.33066	37.3
437.34082	54.7
455.35172	18.4
551.37231	6.7
569.38043	29.7
586.07300	4.5
587.31097	8.7
587.39471	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	588.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20429	0.3
51.86188	0.4
52.74869	0.3
60.62222	0.4
61.05885	0.3
69.07081	3.5
71.06843	0.3
74.06080	2.6
86.09709	100.0
99.56251	0.4
116.07098	0.4
117.52143	0.4
126.05493	4.1
130.04984	0.7
144.06633	0.5
148.06065	3.7
153.06587	2.1
157.13344	6.1
159.99167	0.5
169.09752	0.7
192.10173	0.4
197.09201	20.4
199.18092	0.9
215.10280	3.2
223.25508	0.4
238.15381	0.5
246.68217	0.4
261.14468	6.4
263.37585	0.4
285.73657	0.5
300.19174	8.7
328.18643	28.7
374.22745	1.8
441.27075	14.7
492.67596	0.5
570.30963	0.6
588.40967	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	589.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.7
55.01878	1.0
55.86082	0.7
55.94121	0.6
61.02925	0.9
69.03444	6.1
74.42734	0.7
78.24961	0.7
81.03426	5.2
85.02917	15.4
87.00848	6.2
94.04195	0.8
97.02890	4.4
99.04451	1.9
105.01896	3.4
105.07031	4.2
109.02894	7.6
109.06549	1.3
122.03666	1.3
123.85987	0.8
127.03918	10.6
129.06999	1.0
132.05754	1.0
133.06502	1.9
137.05988	100.0
145.04961	4.4
147.04413	1.4
147.08037	3.2
149.05978	1.1
159.02882	3.3
159.08011	2.8
161.06004	17.0
175.07542	34.3
187.07539	11.8
189.03857	0.9
191.08575	3.4
192.07928	0.8
199.07529	9.2
203.08569	1.2
218.14513	1.2
219.08105	9.4
229.08440	0.8
231.07999	8.0
232.08827	1.2
247.07497	6.0
248.08330	1.7
251.10690	23.6
259.07581	8.8
260.08453	4.2
261.09167	1.3
263.10580	6.9
264.07770	1.7
276.07816	3.3
277.08600	1.2
279.10168	11.9
280.10913	1.0
281.08249	1.0
291.10156	20.2
292.11047	3.4
296.10339	2.0
308.10367	3.3
311.12766	33.5
321.11212	1.5
323.12820	24.3
335.12811	3.4
341.13895	3.3
347.12906	1.1
353.13898	1.7
365.14029	0.9
401.13861	1.0
523.15723	1.0
559.17407	1.1
589.32092	0.9
608.21472	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	589.1913
Annotation	Etoposide
Peak:m/z	Relative Intensity
53.03952	0.7
55.01868	0.8
58.61611	0.4
59.16732	0.5
63.01688	0.5
69.03429	6.3
72.24009	0.5
73.02926	0.7
81.03413	6.2
85.02901	12.6
87.00842	4.7
91.05477	0.9
91.11792	0.5
94.04198	0.6
97.02882	2.9
99.04446	2.6
99.33876	0.5
105.01869	3.3
105.07024	3.4
109.02866	6.9
109.06535	1.1
112.41778	0.5
115.05424	0.6
117.01826	0.6
119.08562	1.0
122.03627	1.2
127.03898	10.7
129.01830	1.1
129.06998	0.5
131.04939	0.5
133.06482	3.8
137.05971	100.0
145.04959	3.3
145.06549	0.7
147.04361	0.8
147.08067	2.6
149.06009	1.2
159.02896	3.7
159.08047	2.5
161.05946	17.7
163.07576	0.7
175.07527	31.2
179.07031	2.0
182.22723	0.5
187.07542	10.3
189.09033	0.7
191.08540	2.7
198.11220	0.5
199.07521	6.6
202.07690	0.8
203.08554	1.1
218.07349	0.5
219.08070	9.9
231.04871	0.8
231.08052	6.6
247.07578	5.3
248.08238	2.1
251.10640	23.6
259.07568	6.4
260.08273	2.1
261.08997	0.6
263.10690	7.6
264.07687	1.0
276.07712	4.0
277.08533	0.8
279.10083	12.5
280.10895	1.2
291.10135	13.6
292.10895	2.5
293.08124	0.6
295.09787	0.7
295.13263	0.9
296.10538	1.2
303.09949	0.8
308.10406	3.0
311.12753	36.2
321.10815	0.9
323.12759	24.6
333.11322	0.9
335.12668	2.8
341.13870	4.3
353.13803	1.3
401.13602	1.3
419.14920	0.7
523.15820	2.3
541.16486	1.2
559.17999	2.2
589.41046	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	589.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.6
55.01874	1.6
61.02919	1.2
69.03436	8.3
71.05005	1.9
73.02934	1.3
81.03432	11.9
85.02907	18.7
86.91756	0.8
87.00851	7.9
91.05479	3.3
94.04154	1.2
97.02899	6.8
99.04440	3.2
103.05476	1.8
105.01875	4.5
105.07047	1.1
107.04980	1.1
109.02894	11.5
109.06551	2.1
114.67209	0.8
117.01846	1.0
117.05428	0.8
117.07047	1.1
119.08574	4.4
120.05782	0.9
122.03695	3.0
127.03905	13.0
128.06250	0.9
129.01862	1.1
129.06969	1.8
131.04926	8.9
132.05676	2.1
133.06499	3.5
137.05983	100.0
143.04855	0.9
145.05000	1.2
145.75082	0.9
147.08060	5.7
149.05989	1.4
151.07458	0.9
159.02879	5.4
159.06812	0.9
159.08046	1.3
160.05225	1.3
161.05969	10.2
163.07518	16.3
167.06915	0.9
169.06445	1.5
171.08052	1.2
173.53244	0.8
175.07547	67.1
186.06711	1.2
187.07564	5.6
189.09128	1.1
199.07549	19.3
201.09334	1.2
203.08592	5.1
212.08052	0.9
215.06920	1.0
218.78105	0.9
219.08125	4.3
231.04959	1.2
231.05820	1.1
231.08093	11.9
232.08858	1.0
235.11310	1.0
247.07542	2.0
248.08334	5.8
251.10643	5.2
259.07501	10.4
260.08273	4.6
261.09027	1.4
263.10657	8.0
276.07767	5.3
277.08606	3.4
279.10309	3.6
291.10172	19.0
292.11090	5.9
293.08084	1.9
296.10501	1.0
308.10471	5.3
311.12787	11.3
323.12769	37.1
325.14322	9.4
341.13843	4.4
365.13693	1.1
451.59915	0.9
565.75677	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	589.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	0.3
53.03968	0.3
53.08231	0.3
56.67397	0.3
57.07085	24.6
58.07869	0.3
66.91984	0.3
69.03423	1.9
70.19248	0.3
71.05016	0.3
73.60835	0.3
81.03426	4.8
85.02893	3.9
88.65795	0.3
97.02890	2.2
99.04433	1.9
99.11735	1.5
103.03938	1.5
107.08582	0.4
109.02870	2.5
109.10164	0.4
127.03908	3.5
127.11186	0.5
128.04230	0.5
145.04900	0.8
145.12215	0.6
163.06032	0.8
183.72435	0.3
228.09512	0.4
271.15402	3.9
283.21948	0.4
284.10638	0.4
286.04849	0.6
289.16440	1.5
297.82309	0.3
301.07056	100.0
320.09219	2.2
321.09631	3.0
481.19916	0.5
559.32977	0.5
589.12866	3.1
589.26025	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	589.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81492	0.5
55.90180	0.5
59.95209	0.5
70.18647	0.4
79.71489	0.5
91.58309	0.5
170.72929	0.6
366.78363	0.6
386.13870	3.1
387.14197	0.7
399.14676	0.8
400.15283	9.9
401.15900	23.4
413.16141	0.9
414.16812	4.7
415.17480	7.5
416.17581	0.9
428.18475	7.0
429.19141	22.5
430.19489	11.0
441.19812	2.2
442.16061	4.6
444.14417	0.7
445.14771	6.6
455.17130	1.1
456.17792	18.2
459.16409	2.5
470.19571	2.5
473.17990	6.7
474.18585	4.9
484.16284	4.0
485.21921	3.4
488.20767	11.8
502.22418	3.1
511.20004	3.2
513.21503	0.7
516.23761	3.1
517.24359	2.6
532.19745	1.3
539.19452	8.0
543.22266	9.4
556.18964	1.3
560.22412	0.7
561.23541	3.1
571.21863	24.1
574.20380	0.9
589.22754	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.6
57.07079	7.6
60.16251	2.6
67.05524	3.4
71.08630	7.6
78.24306	3.4
81.07075	13.7
81.93594	3.5
85.10227	4.0
91.05521	3.3
95.08625	15.9
101.06024	5.0
104.53788	4.1
109.10172	5.0
109.79671	3.2
111.04449	18.4
129.05455	4.8
137.05994	100.0
147.11676	5.9
175.11261	4.2
231.17326	4.7
277.17953	24.2
313.23593	7.0
349.99731	4.5
577.95215	3.9
589.44574	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	589.4458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92639	1.5
55.05504	3.8
57.07068	10.9
65.07169	1.3
67.05506	7.4
69.07060	2.7
71.08627	8.8
79.05444	2.0
81.07050	16.2
85.10172	2.9
85.37181	1.6
92.21516	3.6
93.07026	2.5
95.08609	14.2
107.08601	2.0
109.06550	2.7
109.10138	7.4
111.04449	16.6
123.11719	2.1
125.05996	2.8
131.08521	2.1
135.11655	3.5
137.05968	100.0
144.52219	1.8
147.11650	2.9
151.07555	1.9
161.09576	7.8
161.13202	2.8
163.11159	2.7
165.09088	2.3
173.76744	2.1
175.11198	3.3
203.17908	3.5
213.16489	3.1
227.49655	2.2
231.17264	2.4
249.18546	2.2
277.17993	22.2
295.19089	3.9
396.00577	1.8
579.94427	2.0
589.44501	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	589.4827
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23978	2.2
54.28475	2.6
54.38932	2.8
55.05517	14.2
57.03445	7.1
57.06873	2.8
57.07086	46.5
57.10544	2.3
58.54943	2.3
67.05517	41.7
68.10265	2.6
69.07067	21.1
71.08628	31.6
79.05501	29.5
81.07059	53.2
83.08611	19.1
85.10192	23.9
91.05476	34.6
93.06462	4.0
93.07039	46.7
95.08600	48.1
97.10168	6.3
105.07031	48.7
107.08604	27.1
109.10133	22.9
117.07025	6.8
119.08584	51.8
121.10139	20.8
123.11720	3.9
129.07014	4.4
131.08534	14.3
133.10138	39.4
135.11705	19.5
143.08510	3.2
145.10132	19.0
147.11673	47.2
149.13263	5.6
157.10147	5.8
159.11667	16.6
161.13289	25.8
171.11667	13.8
173.13260	14.6
175.14851	11.9
185.13261	11.8
199.14886	3.7
213.16333	3.7
231.21033	3.2
241.19574	22.5
259.20520	100.0
313.27353	70.4
333.24249	44.4
335.25763	4.5
399.18747	3.5
512.95941	3.4
571.47083	22.2
574.54059	3.0
589.48370	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	590.426
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	31.4
59.37423	2.2
69.17094	2.4
71.08631	58.0
82.03975	2.9
82.36400	2.5
85.10182	32.4
87.04453	11.8
89.06030	100.0
91.05481	5.7
93.07047	10.8
95.04981	4.0
95.08571	2.7
107.08592	4.4
121.06484	39.2
121.10155	5.2
128.51225	2.9
133.08586	41.4
135.08070	4.5
147.08096	6.6
149.09627	10.5
163.11150	4.0
165.09071	10.0
172.10959	2.9
177.11244	10.9
208.42761	3.4
247.20560	21.2
282.39066	3.0
291.23123	17.1
335.25818	4.9
447.25974	6.4
529.36993	4.6
529.71472	2.7
573.31836	3.8
573.39990	82.3
590.42511	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	590.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35368	2.1
55.05529	2.9
57.03431	5.5
57.07090	30.0
60.43165	1.9
64.13114	2.1
67.05499	5.9
69.07074	10.7
71.08621	18.0
79.05497	5.1
81.02957	2.9
81.03429	57.2
81.07072	13.0
83.08626	27.0
85.10198	21.9
89.79538	2.6
91.05501	4.0
92.20927	3.6
95.04954	19.6
95.08620	19.0
96.32922	2.6
97.10175	2.9
101.55910	2.5
105.07042	3.0
105.58604	2.7
107.04978	2.8
109.10171	9.7
131.08585	3.9
135.08078	2.4
147.11661	4.0
149.09587	4.9
157.10114	6.3
158.18030	2.6
175.11180	13.4
178.87917	2.5
193.12283	29.1
215.36839	2.5
257.24716	3.7
267.15924	76.5
313.27368	72.5
447.44977	2.9
505.38889	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00320	0.3
53.03947	1.7
55.01883	0.6
61.02928	2.6
62.07785	0.3
68.99460	0.3
68.99779	2.7
69.03429	7.2
71.04987	2.4
74.92297	0.4
81.03426	10.6
83.01330	0.5
85.02901	8.1
87.00816	4.3
97.02891	15.2
97.03486	0.8
99.04454	13.8
105.01850	0.5
109.02107	0.5
109.02879	30.8
127.03912	100.0
129.01849	5.6
141.05434	0.4
145.04959	14.2
147.02872	2.4
169.04965	4.0
187.06036	2.7
195.02904	0.8
197.10416	0.4
213.03943	7.8
231.04987	18.1
234.77446	0.4
255.04990	2.6
273.06024	18.5
291.07086	13.1
301.07040	12.7
303.39203	0.4
381.02603	0.4
533.18793	0.5
549.26147	0.4
558.50806	0.5
605.72125	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	591.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22407	0.3
53.03955	5.1
60.11697	0.4
61.02919	0.4
67.01874	0.6
69.03436	5.3
71.04998	0.8
77.21314	0.4
81.03414	9.1
85.02900	3.0
85.61252	0.4
87.00825	5.7
92.26955	0.5
97.02886	10.1
99.04452	3.6
105.01868	3.3
109.02875	18.3
115.03870	0.6
127.03918	16.5
145.05003	1.0
146.36888	0.4
171.13358	0.5
195.83693	0.4
206.57033	0.5
213.03925	1.9
231.04987	2.1
245.95947	0.4
301.07056	100.0
313.07086	0.5
343.08041	1.9
355.07834	0.5
591.12665	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	591.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40279	0.4
56.40928	0.5
62.39573	0.5
67.05491	0.5
89.17664	0.6
104.57690	0.6
113.76777	0.6
134.04901	0.6
173.37549	0.6
415.19092	1.0
429.20624	2.3
430.21573	4.0
442.21490	2.9
443.22397	0.8
444.23178	8.9
455.18710	0.6
456.19583	2.3
457.24167	13.7
458.24796	3.3
459.21735	4.1
459.26559	1.7
460.22809	0.9
461.23492	1.2
469.23691	0.8
470.20749	4.6
471.17990	1.0
472.22610	8.2
473.23831	0.8
475.25012	3.2
485.23593	27.0
486.20004	10.1
487.25412	5.4
488.21997	1.3
489.22803	4.9
497.23422	2.1
499.21350	1.0
500.22137	7.9
503.24417	5.6
513.23029	4.0
515.24548	21.7
531.23907	31.5
559.23395	10.7
591.26056	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	591.4979
Annotation	Diacylglycerol(16:1/18:2)
Peak:m/z	Relative Intensity
50.96334	6.8
51.30322	7.9
53.49205	7.1
57.03463	6.1
57.07080	37.1
67.05524	58.9
67.05898	6.3
69.07063	11.4
71.08620	17.3
75.83662	7.1
78.95432	8.4
79.05495	16.2
81.07056	71.2
83.08607	11.5
84.10171	7.8
85.10172	14.7
91.05481	10.5
92.20927	10.1
93.07037	36.7
95.08608	70.7
97.10184	9.9
105.07050	11.9
107.08583	38.1
109.10140	40.8
110.82027	9.0
121.10155	37.5
123.11705	9.9
135.11688	20.4
138.19006	8.5
145.10071	9.0
149.13257	14.2
163.14853	8.8
231.05980	7.9
239.79044	7.9
243.21112	14.5
261.22134	19.9
313.27301	100.0
335.25867	20.2
541.57245	12.2
573.48743	81.2
591.49402	10.8
613.29370	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	591.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.2
57.07071	25.2
61.82429	3.1
67.05507	18.1
69.07081	14.4
79.05515	5.2
81.07063	19.6
83.08622	17.0
93.07037	15.8
95.08576	28.0
97.10158	5.7
107.08585	9.1
109.10173	22.8
121.10143	36.2
123.11668	4.8
127.11184	7.8
135.11711	21.2
149.13240	4.5
150.04536	3.8
158.77464	3.9
167.14270	8.1
169.12241	16.5
196.43025	3.8
233.22673	13.6
261.22119	17.5
279.23151	14.7
296.25854	100.0
311.13272	4.4
458.37381	3.9
591.25775	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	591.5094
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42217	1.2
55.01879	7.3
55.05502	2.5
57.07080	3.5
67.05508	13.0
69.07078	25.7
71.04990	1.7
78.10165	1.4
79.05496	3.0
81.07066	19.8
83.04977	1.6
83.08620	16.2
85.06529	1.9
85.10212	1.5
93.07031	12.8
95.08604	18.9
97.06542	3.2
97.10175	3.4
105.07008	1.7
107.08594	11.7
109.10142	13.0
111.08084	1.8
121.10099	12.8
123.11689	5.9
131.08534	2.0
133.10107	3.2
135.08095	2.2
135.11679	16.7
137.13272	3.2
147.11708	1.7
149.09581	1.7
149.13232	7.6
153.12750	41.5
154.25075	1.3
167.10719	1.8
169.89810	1.6
170.11662	1.9
233.22621	6.5
243.20995	5.8
251.23553	3.1
261.22034	5.6
279.23184	26.2
296.25842	100.0
354.17969	1.7
591.22571	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	592.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53300	7.8
64.58752	9.3
65.56622	10.6
65.61779	9.2
67.05513	26.0
69.07061	20.2
70.82604	9.5
73.00851	9.3
81.07052	44.9
93.07039	19.7
95.08586	46.6
105.07065	13.0
107.08592	27.6
109.10162	100.0
119.08582	19.5
121.10129	22.2
123.11691	15.6
133.10164	14.7
135.11653	11.5
145.10149	46.5
147.11670	26.4
149.13210	12.4
159.11688	43.8
169.09976	12.6
237.16263	18.8
255.83662	11.7
261.21661	11.6
401.32254	13.0
419.32938	22.6
461.33905	25.7
479.35117	55.4
539.37012	16.2
592.25946	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	593.186
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04993	3.0
85.02899	3.2
134.25273	0.3
179.69646	0.3
242.05655	0.3
270.05157	0.6
285.07556	100.0
327.46472	0.3
372.34937	0.3
398.82431	0.3
412.56900	0.3
447.12845	22.6
593.18561	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	593.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71541	0.1
57.03447	0.2
59.83376	0.1
71.04704	0.1
71.05006	2.3
81.07092	0.1
81.75581	0.1
85.02914	3.2
104.05023	0.1
107.05811	0.1
116.46230	0.2
129.05482	0.2
135.04558	0.1
150.85742	0.1
157.07587	0.2
176.59175	0.1
190.21155	0.2
203.08173	0.2
233.09109	0.2
270.05188	0.9
285.07568	100.0
367.67780	0.2
447.12878	22.1
575.24646	0.2
593.18909	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	593.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04321	0.6
56.05053	0.9
70.06589	1.3
72.08144	4.1
84.08144	19.5
86.09692	1.0
87.05569	1.0
112.97613	0.7
114.09174	1.3
116.07104	1.0
118.06585	3.0
123.45337	0.9
129.10263	3.7
132.08113	1.3
144.08105	5.4
146.06012	40.2
159.09186	3.5
159.11270	9.6
170.05949	1.3
188.07066	100.0
205.09721	39.3
233.48035	0.8
320.15918	0.9
574.05304	0.9
593.29248	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	593.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25576	1.0
58.50362	1.2
67.05509	2.4
69.17429	1.3
81.07072	2.2
85.59294	1.4
95.08682	1.5
95.75170	1.3
104.18726	1.3
109.10127	1.8
147.73358	1.7
166.40247	1.5
346.64728	1.4
433.23984	2.2
446.20807	1.9
447.21594	5.4
459.21930	2.4
460.22571	21.1
461.23322	20.0
462.47961	1.7
473.23526	2.0
474.24280	1.6
492.25409	2.4
505.22742	7.9
533.25446	55.9
534.25641	2.4
593.27570	100.0
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
64.89927	0.9
67.62859	0.8
72.68250	1.0
76.02806	0.7
102.78965	0.7
147.03798	0.7
308.65091	1.0
431.18854	3.4
433.24179	3.5
445.20377	1.4
446.21069	4.2
447.21732	6.4
449.23361	1.0
459.21960	1.8
460.22498	14.7
461.23206	12.6
473.23694	1.9
492.25479	1.7
505.22141	9.1
518.22968	1.0
533.25500	45.3
593.27594	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78910	0.2
58.87931	0.2
59.12683	0.2
74.63383	0.2
127.03899	0.6
182.41202	0.3
190.26785	0.3
194.11522	100.0
250.17810	0.4
252.15685	20.9
314.65469	0.3
365.24084	16.1
404.49637	0.3
423.28220	7.1
503.49936	0.3
594.41577	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	595.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.3
61.85599	0.2
62.66069	0.2
65.39339	0.2
69.03440	4.2
81.03402	0.3
85.02911	3.8
87.04470	3.1
97.02894	3.7
99.04431	0.3
114.36005	0.2
115.03926	2.1
125.02441	0.3
127.03915	0.3
128.15854	0.2
133.04951	1.6
140.28471	0.2
145.04938	0.3
165.97743	0.2
169.07828	0.2
200.51689	0.2
233.91988	0.2
241.49675	0.2
257.27756	0.2
285.07477	0.4
286.04755	0.4
286.07623	0.3
287.08115	0.4
301.07059	100.0
343.08194	0.5
442.12201	0.2
463.12405	1.1
522.51605	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	595.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31349	0.7
60.38299	0.8
69.03458	1.1
70.06589	1.7
71.04996	8.2
72.08151	1.6
75.28401	0.8
85.02900	14.3
86.09706	2.2
92.21507	1.1
97.02916	1.2
129.05447	1.6
129.10245	2.0
129.86563	0.9
130.17194	0.9
175.08661	1.2
175.81587	0.9
203.08093	1.8
207.06578	1.2
218.30562	0.9
282.23001	1.1
287.05484	100.0
449.10620	2.0
516.03772	1.1
528.78101	1.2
595.22266	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	595.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31349	0.7
60.38299	0.8
69.03458	1.1
70.06589	1.7
71.04996	8.2
72.08151	1.6
75.28401	0.8
85.02900	14.3
86.09706	2.2
92.21507	1.1
97.02916	1.2
129.05447	1.6
129.10245	2.0
129.86563	0.9
130.17194	0.9
175.08661	1.2
175.81587	0.9
203.08093	1.8
207.06578	1.2
218.30562	0.9
282.23001	1.1
287.05484	100.0
449.10620	2.0
516.03772	1.1
528.78101	1.2
595.22266	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	595.202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05083	3.2
53.03951	2.8
56.05033	3.6
73.02914	2.9
73.09064	3.0
74.07868	3.7
79.43664	2.9
81.03430	47.2
86.09711	4.3
92.21518	5.6
107.05004	4.1
110.90619	3.2
131.04927	16.5
151.03920	4.9
151.07545	61.5
153.05493	17.5
160.05232	4.7
163.07541	14.7
165.05496	6.2
166.06241	27.4
167.07030	59.1
173.05974	6.8
175.07568	17.6
177.09129	5.2
179.07037	4.2
181.04922	26.4
185.60033	3.9
187.07581	17.6
189.09126	17.6
190.06326	6.4
191.07021	100.0
191.08722	4.6
192.07884	3.5
198.06720	3.7
201.09077	4.6
203.07011	75.7
204.07820	3.9
205.08595	21.4
205.10950	3.1
207.06656	4.3
209.08049	60.2
217.08603	18.8
223.05995	28.7
229.08441	4.2
233.08095	36.6
235.09668	7.9
236.67578	3.8
247.09651	42.2
255.08617	8.7
259.09595	6.8
277.10730	8.0
279.08551	3.9
295.09354	3.4
299.08853	3.7
305.10260	4.3
307.11752	16.1
313.10449	4.2
353.12207	21.1
367.11877	5.0
371.11368	8.0
381.13434	4.6
399.14880	3.7
411.14191	4.5
441.15613	14.6
459.16306	14.3
485.17957	13.6
499.16016	4.2
503.19290	6.3
513.17548	13.3
531.18726	48.0
577.18872	23.6
577.27313	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	595.5404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45475	3.5
57.07105	5.6
67.05530	5.5
69.07061	8.3
72.38940	4.0
81.07064	10.2
83.08622	10.3
91.05453	5.0
93.07065	6.0
95.08617	21.6
95.73637	4.6
97.10184	5.3
109.10163	8.3
119.08530	6.2
121.10038	4.2
129.48343	5.9
147.11676	7.0
219.34715	5.0
245.22734	8.0
256.26361	5.0
263.23734	18.8
280.26389	100.0
307.27795	5.5
381.49344	4.3
592.52802	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	595.5408
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31676	5.7
60.28623	5.9
62.92213	6.6
67.05058	6.8
67.05498	18.7
69.07076	10.7
80.57005	6.7
81.07064	40.9
81.09732	8.3
83.08620	17.9
93.07018	10.5
95.08599	50.8
105.07034	9.7
109.10162	32.7
121.10158	11.0
123.11653	9.8
129.85640	7.1
135.11743	9.6
191.37341	8.3
194.57367	8.2
196.81683	7.5
245.22505	14.4
263.23550	15.1
280.26358	100.0
330.59659	7.0
407.37338	7.7
434.07114	9.5
595.25604	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	595.5403
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73167	2.0
52.54693	1.7
55.05508	4.6
56.05038	3.9
57.07076	11.0
58.02964	3.1
67.05504	9.7
69.07073	18.7
71.08616	5.2
71.63573	2.2
72.40472	1.9
72.67725	2.0
77.40769	1.9
79.05485	4.8
81.07064	25.1
82.06627	3.2
83.08598	19.7
85.10175	2.8
91.05480	4.2
93.07034	8.5
94.64677	2.2
95.08588	27.2
97.10161	11.8
100.07632	3.0
107.08577	9.5
109.10154	16.6
111.11697	3.0
119.08557	5.5
121.10117	4.9
122.45545	2.7
123.11722	4.4
133.10100	4.5
135.11688	4.0
147.11641	3.9
149.13248	3.9
151.11131	2.9
245.22726	2.5
250.25262	12.0
263.23697	9.9
280.26324	100.0
298.27362	75.5
299.25778	2.5
452.40222	2.3
595.54346	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	595.5408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	7.0
57.07077	6.2
59.22572	4.5
60.47416	5.4
64.94891	4.5
66.97328	5.5
67.05502	8.9
69.07065	22.2
72.46902	4.7
79.05445	5.0
81.07052	36.4
83.08616	20.0
93.07039	13.1
95.08626	31.7
97.06538	7.3
97.10191	9.0
109.10168	25.3
121.10107	13.4
123.11673	10.3
129.80341	5.4
133.10103	9.2
168.91599	6.0
173.20306	5.9
192.60260	5.1
245.22603	9.6
263.23703	31.2
280.26346	100.0
595.27673	8.3
595.37708	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	595.5408
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79450	1.4
55.05281	1.6
55.05521	10.0
57.07071	4.2
67.05519	23.5
69.07074	24.7
71.08629	9.7
79.05500	4.0
81.07063	26.7
82.06573	2.4
83.08614	18.4
88.59166	1.9
91.05488	4.2
93.07037	8.7
95.08613	27.2
97.06514	3.2
97.10155	14.8
100.07671	2.1
104.42852	1.8
105.07051	2.6
107.08595	3.7
109.10155	23.8
111.11767	2.1
119.08569	8.4
121.10136	9.0
123.11714	7.5
124.73792	1.7
128.95372	1.9
133.10165	7.3
135.11696	4.5
139.11177	2.1
147.11656	4.5
155.14342	2.0
156.07651	1.8
156.13857	2.5
161.13284	3.8
172.79758	2.1
173.11821	2.2
241.09920	2.0
245.22617	7.9
250.25313	8.8
262.25174	3.9
263.23734	9.1
280.26340	100.0
298.27444	55.4
299.25681	3.0
312.26456	1.9
588.25024	2.2
595.40222	2.0
606.81964	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	596.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35898	2.0
53.81511	2.6
55.05519	11.7
56.45373	2.2
57.03433	3.6
57.07075	2.6
67.05185	3.6
67.05513	66.9
69.07063	12.7
79.05507	37.2
81.07063	100.0
81.09184	2.9
83.08623	9.4
85.06546	3.0
86.67014	2.4
91.05488	16.5
92.65562	2.4
93.07047	64.1
95.08607	83.4
97.06545	3.5
97.10181	4.3
99.08086	4.9
105.07040	17.5
107.08601	45.6
109.10160	52.3
109.25648	2.5
117.07018	10.9
119.08602	23.4
121.10137	52.6
123.08059	2.4
123.11710	24.7
127.03880	3.2
130.63914	2.4
131.08578	24.3
133.10138	16.6
135.11685	51.0
145.10127	22.8
147.11708	19.7
149.13245	33.0
159.11719	18.5
161.13275	21.6
163.14795	21.2
173.13281	22.1
175.14754	4.2
177.16342	9.2
179.14235	3.5
187.14815	12.7
193.47964	2.6
205.16032	2.8
243.21130	44.0
261.22134	99.0
279.23151	2.6
324.71082	3.0
335.25769	31.4
353.26862	96.0
442.65887	2.8
469.22110	3.3
561.27094	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	596.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.2
55.05512	11.0
57.03436	3.7
57.07085	2.3
61.95263	1.6
62.08622	1.6
66.32401	1.6
67.05508	58.5
69.07063	12.8
71.78232	1.7
72.83188	1.6
73.02924	3.2
79.05505	29.0
81.07057	74.6
82.93189	2.1
83.08620	7.6
84.02065	2.1
85.02885	3.3
91.05455	16.9
93.07035	54.7
95.08605	67.5
95.40046	2.0
97.02890	2.7
97.10130	7.4
99.04485	2.2
100.77887	1.8
105.07043	14.6
107.08597	47.8
109.02875	12.2
109.10152	40.7
117.07008	8.8
119.08572	17.6
121.10139	59.3
123.11710	20.4
127.03886	8.4
128.20563	1.9
131.08551	21.9
133.10112	21.5
135.11691	47.3
137.13229	3.6
145.10106	15.6
147.11722	20.0
149.13254	34.5
151.11099	2.3
159.11673	19.1
161.13295	17.5
163.14818	19.4
173.13234	24.0
175.14847	3.9
177.16405	4.8
187.14806	11.1
191.00276	2.6
192.32332	2.0
201.16287	2.9
233.22752	2.1
243.21059	36.8
261.22122	93.0
271.57202	1.9
329.50870	2.0
335.25775	22.9
353.26865	100.0
353.31323	3.2
377.26437	2.5
457.40872	2.3
561.27386	14.7
579.27954	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	596.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	6.2
64.87408	4.1
67.05511	11.5
69.03426	7.6
69.07066	8.9
77.48009	4.1
81.07063	28.7
83.08630	10.2
85.02901	23.7
92.21555	9.2
95.08601	28.0
97.10193	16.0
104.91831	4.1
107.08610	6.7
109.02908	5.1
109.10163	22.4
111.11714	6.4
119.08617	6.9
121.10139	37.9
123.11717	10.7
125.09693	6.3
127.03902	23.4
129.01779	5.0
135.11711	29.3
139.11276	6.9
145.14236	4.8
149.13231	7.5
158.04559	5.0
161.13254	7.7
175.14743	5.9
208.39482	4.7
217.19493	18.4
223.42902	4.6
235.20619	28.9
253.21640	31.6
265.86871	5.6
277.80679	4.5
295.22675	70.3
313.23724	100.0
331.24673	41.3
342.64764	5.2
576.39923	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	597.145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.5
55.70412	0.3
57.03432	1.8
58.89902	0.2
59.15774	0.2
61.02935	3.2
61.37371	0.2
63.79077	0.2
69.03436	1.8
70.06579	1.3
71.01405	0.2
72.08161	0.4
73.02909	3.1
81.03422	0.2
84.04519	0.2
84.08140	0.3
85.02915	4.6
86.09699	0.4
87.04487	0.3
90.36858	0.2
91.03951	2.6
97.02888	3.4
100.18373	0.2
110.07147	0.3
115.03912	1.3
120.08084	0.3
127.03958	0.5
129.10211	0.4
133.04959	1.5
136.07547	0.2
137.02316	0.4
145.04973	0.5
148.49223	0.2
163.06004	0.5
165.01805	0.5
229.04991	0.5
257.04391	0.3
285.04111	0.8
303.04987	100.0
315.05048	0.5
321.98798	0.3
341.06467	0.3
345.06082	0.4
369.06073	0.5
461.74997	0.3
465.10101	1.5
597.19867	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	597.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73412	0.5
58.28616	0.7
62.38442	0.7
94.95252	0.7
107.08640	0.9
124.77744	0.7
145.10049	0.7
173.95702	0.8
175.58585	0.7
242.24840	0.9
261.42474	0.8
283.19174	0.7
324.00476	0.8
383.27554	0.8
409.20099	0.9
423.21786	1.3
433.19965	1.2
434.21283	0.8
435.18155	3.5
437.19638	1.3
449.19562	7.7
450.20068	1.4
451.21152	5.4
461.19418	1.2
462.20639	1.0
463.17499	16.9
463.22913	0.8
465.22818	1.4
475.17358	1.5
477.19122	47.7
478.20108	4.5
479.20773	7.9
489.18747	1.2
490.19849	8.4
491.20413	3.0
493.22604	4.8
504.21985	1.3
505.22470	3.0
519.24017	5.0
521.22766	0.8
536.23871	1.2
549.21466	3.6
564.23547	6.8
566.25146	1.4
579.26147	6.1
597.27100	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	597.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32756	0.7
56.82690	0.7
67.05544	0.8
77.49734	0.9
81.07036	0.8
100.70357	0.8
109.31706	0.9
119.08595	0.9
143.86934	0.9
154.19046	0.8
158.06824	0.9
218.12329	0.8
252.48961	0.9
320.61847	1.0
347.38690	0.9
415.18304	1.1
432.73373	0.8
435.22076	0.9
451.21317	1.0
463.21402	4.7
465.19250	1.5
477.18976	9.7
478.19781	9.0
479.20825	5.5
489.23209	7.1
491.20651	12.6
495.23840	1.1
506.23132	1.4
507.20093	5.9
509.22174	1.5
521.18561	1.2
521.25488	6.3
523.23511	5.2
525.24957	1.7
532.20813	1.2
535.19769	4.2
550.22180	18.8
565.24384	3.7
566.25562	4.5
582.24628	3.5
597.27112	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.6
55.36603	1.4
57.03434	2.0
61.02929	2.4
67.05505	8.3
69.03435	11.6
69.07083	7.3
71.05017	2.0
73.02930	1.5
73.30238	1.5
79.05506	2.0
81.03421	6.0
81.07076	10.8
83.08616	1.4
85.02909	25.8
87.04468	2.2
91.05492	2.7
93.07032	11.3
95.04984	1.6
95.08606	19.2
97.02895	13.1
99.04469	3.1
105.07051	8.1
107.08610	16.2
109.02905	4.0
109.10153	25.5
119.08572	17.0
121.10147	11.9
123.11738	6.2
127.03937	13.8
131.08597	6.8
133.10156	8.4
135.08069	1.8
135.11731	7.9
136.10675	1.5
137.09575	1.7
137.13229	1.7
142.68808	1.6
143.08588	3.5
145.04968	2.7
145.10106	13.1
147.08084	3.8
147.11717	8.0
149.13266	6.0
155.08629	1.9
157.10159	10.7
159.11725	11.1
161.13304	6.6
169.10188	7.7
171.11737	8.4
173.13274	7.2
175.14835	2.2
177.05568	1.7
183.11754	9.2
183.31430	1.6
185.13306	6.7
187.14854	4.0
189.16414	2.3
195.11784	6.5
197.13280	7.6
199.14908	2.7
207.11703	3.8
209.13358	9.4
210.14063	2.0
211.14891	7.0
213.16454	6.9
221.13341	6.5
223.14854	3.1
225.16458	6.6
227.18002	3.0
229.15909	3.3
235.14821	2.8
237.16473	2.3
237.21973	2.2
239.17976	3.6
249.16437	5.8
251.18013	7.1
253.19627	3.8
263.18066	3.8
265.19659	6.7
275.17902	2.9
289.19528	2.0
291.21082	2.3
295.20615	2.2
317.22830	2.7
329.22906	2.0
361.25491	2.5
387.30637	3.5
389.32214	2.6
399.30536	10.8
405.32315	1.7
417.31592	33.7
435.32608	21.3
579.37463	11.9
597.37872	100.0
610.00580	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	597.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37198	1.3
55.05536	2.4
56.39382	1.2
56.64814	1.2
57.03421	1.2
57.03737	1.4
57.05021	1.3
57.07113	1.5
65.80760	1.3
67.05503	8.3
69.03449	6.9
69.07083	3.0
79.05495	3.9
81.03426	2.9
81.07063	11.4
84.04517	1.5
85.02921	12.8
85.81942	1.4
91.05506	2.2
93.07053	9.8
95.04981	3.2
95.08622	20.5
97.02911	8.0
97.06514	1.6
99.04447	5.9
103.03955	6.6
105.07011	11.1
107.08585	13.9
109.02870	3.8
109.06550	2.3
109.10159	16.7
111.08073	2.1
117.06970	2.3
119.04881	1.5
119.08574	22.2
121.10151	8.4
123.08111	3.0
123.11730	2.7
127.03936	13.6
131.08574	10.7
133.06480	3.5
133.10126	11.4
135.08067	2.6
135.11736	3.2
143.08519	3.6
145.10141	28.4
147.11687	10.5
149.13327	4.0
157.10190	8.9
159.11710	13.6
161.09662	3.2
161.13232	3.2
163.14928	2.0
169.10156	2.8
171.11719	9.3
173.09619	14.0
173.13310	10.7
175.11227	2.4
175.14888	9.3
183.11729	3.1
185.13289	3.9
187.11284	3.6
187.14789	34.5
195.11749	2.4
197.13333	2.8
201.16475	3.1
209.13277	2.3
211.14806	3.1
213.12794	7.9
215.14326	81.1
223.14958	3.4
225.16396	2.1
227.14317	3.2
229.15912	6.7
231.13840	2.4
237.16365	2.5
257.15396	1.9
263.18021	1.9
279.21225	1.7
337.25296	1.7
353.24750	2.5
377.19409	2.3
399.30450	2.4
417.31525	12.2
435.32553	65.3
453.33963	2.5
477.33701	2.7
519.34900	1.8
543.34589	2.8
561.36029	9.3
579.36609	16.8
597.37885	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42201	0.8
53.74356	0.8
55.01901	0.9
55.21711	0.9
57.64363	0.8
59.06520	0.8
63.34788	0.8
71.06099	7.2
72.04533	0.9
77.00632	7.6
78.03786	2.0
84.04506	5.1
86.06087	1.6
90.05550	3.7
92.01721	3.7
93.23671	0.9
97.63860	0.8
102.03777	1.8
109.07636	1.2
110.00972	1.9
110.07211	0.9
118.03254	22.9
120.04807	2.0
124.07632	1.2
126.05535	6.3
127.05016	7.5
130.03233	9.3
130.05008	1.5
130.08592	1.4
131.06410	5.0
132.04822	1.7
134.00969	1.7
141.06622	2.0
142.08661	5.7
144.06573	9.2
145.06111	12.1
147.05881	100.0
149.07457	48.4
149.08621	2.0
150.00429	1.6
153.06708	1.9
155.08150	6.7
159.05859	1.5
159.07648	2.2
162.00414	1.5
162.12054	1.0
164.02057	1.6
173.03802	1.5
176.02052	3.9
179.03108	1.9
181.04695	11.6
181.06131	6.5
183.11276	0.9
184.09697	3.7
185.03868	6.4
191.04865	99.7
193.04695	3.9
199.07112	7.7
203.04926	1.1
205.01125	1.1
205.04562	9.0
206.76654	1.0
213.12471	1.6
222.07309	1.9
223.02177	1.5
231.04362	65.3
257.06073	1.2
259.11176	6.8
261.12683	1.6
268.07852	6.9
271.09222	1.8
293.10031	5.8
302.08191	9.2
310.09076	1.3
322.09088	2.0
339.11581	76.6
379.11469	1.0
450.14951	4.5
451.16760	8.0
468.15854	59.8
469.17877	12.4
509.17517	3.6
580.21191	9.6
598.22144	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	598.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44981	1.2
54.69324	1.4
62.97253	1.6
69.03416	2.1
73.02576	1.3
81.03432	15.5
82.93138	1.3
85.02902	10.5
93.12769	1.4
101.63909	1.4
107.04963	10.4
109.12780	1.4
117.07025	7.9
127.03947	1.7
133.60721	1.5
145.04916	2.8
145.06502	23.9
155.06067	2.1
159.08022	7.8
161.05974	5.7
167.07030	56.0
173.05978	100.0
180.08717	2.4
183.06537	1.8
187.07532	10.7
190.06239	42.0
193.08594	2.0
195.06683	1.6
203.07016	8.9
205.08594	91.0
217.08607	55.8
219.10249	2.6
233.09575	1.7
235.09653	27.2
247.09686	6.0
263.10626	2.1
265.10712	63.3
271.09567	2.9
279.10397	1.9
291.10043	1.8
315.08643	7.8
330.11032	7.6
331.12064	1.8
345.04108	1.7
351.11966	2.6
353.10004	2.5
383.14825	12.4
401.15894	29.8
597.77509	1.6
598.06079	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	598.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	2.4
69.07074	1.2
70.06595	5.7
71.05013	1.0
77.95697	0.9
79.05495	4.1
81.03428	5.4
81.07058	2.0
83.04996	1.1
84.04519	1.0
84.08167	1.5
85.02898	6.6
86.09703	2.5
91.05524	1.3
93.07069	1.2
95.08652	1.1
97.02879	8.3
97.06506	1.7
99.04482	11.4
99.37916	1.0
104.76871	0.9
105.07035	2.0
107.04952	6.4
109.02906	5.5
109.06532	4.6
109.10166	12.9
111.03715	1.0
111.04446	5.7
114.09185	8.5
114.96474	1.0
119.08597	3.9
120.08136	4.5
125.05944	1.2
127.03902	2.2
129.05501	1.0
133.10120	7.6
137.09622	73.0
139.87389	0.9
141.87332	0.9
142.04340	1.0
143.08556	6.7
145.02838	4.2
145.10097	4.6
147.04424	5.4
147.08072	12.9
161.09616	91.7
163.11134	4.6
165.09109	100.0
167.03395	1.7
171.01068	1.1
171.08084	1.9
173.04323	1.0
177.05443	5.3
179.10706	10.1
189.09111	25.4
207.10162	39.9
225.11220	50.4
227.17441	1.5
228.15912	1.6
243.12285	12.3
261.07541	2.2
288.05856	1.1
341.99805	1.0
351.14355	1.9
369.15408	12.6
387.16461	17.5
418.24368	1.1
419.18933	6.3
580.40491	1.5
598.41534	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	598.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.0
61.02930	1.1
69.03437	6.7
71.04984	3.0
71.08630	0.5
73.02904	2.5
81.03422	13.0
81.09663	0.5
83.04988	0.9
85.02905	31.0
85.52158	0.4
91.03937	0.5
95.04990	0.4
97.02893	29.4
99.04457	24.0
101.02352	0.7
103.03943	48.1
109.02877	34.3
115.03967	0.6
127.03912	100.0
145.04958	23.2
145.06088	1.0
149.32472	0.5
163.05995	5.6
169.04878	3.4
186.45470	0.5
187.06029	10.4
206.85643	0.5
229.06964	0.9
247.08183	1.1
247.48927	0.5
253.07053	2.3
259.80493	0.5
271.08112	18.5
289.09171	11.4
307.10236	7.9
323.25204	0.5
331.10260	1.1
349.11172	6.7
349.86401	0.5
415.12405	2.9
433.13531	7.4
451.14453	15.2
455.53784	0.6
461.23831	3.6
563.27039	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	598.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.0
61.02930	1.1
69.03437	6.7
71.04984	3.0
71.08630	0.5
73.02904	2.5
81.03422	13.0
81.09663	0.5
83.04988	0.9
85.02905	31.0
85.52158	0.4
91.03937	0.5
95.04990	0.4
97.02893	29.4
99.04457	24.0
101.02352	0.7
103.03943	48.1
109.02877	34.3
115.03967	0.6
127.03912	100.0
145.04958	23.2
145.06088	1.0
149.32472	0.5
163.05995	5.6
169.04878	3.4
186.45470	0.5
187.06029	10.4
206.85643	0.5
229.06964	0.9
247.08183	1.1
247.48927	0.5
253.07053	2.3
259.80493	0.5
271.08112	18.5
289.09171	11.4
307.10236	7.9
323.25204	0.5
331.10260	1.1
349.11172	6.7
349.86401	0.5
415.12405	2.9
433.13531	7.4
451.14453	15.2
455.53784	0.6
461.23831	3.6
563.27039	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	598.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69551	2.3
55.05516	6.2
57.07078	5.5
67.05504	50.5
69.07071	21.6
71.04984	2.7
71.08621	5.1
71.61617	3.7
72.37424	2.7
76.64913	2.7
79.05489	13.4
81.07063	73.5
83.08617	18.7
84.43793	3.6
91.05468	12.5
93.07047	23.9
95.08611	76.4
97.06544	6.9
97.10181	12.8
105.07035	6.4
107.08601	20.0
109.10161	56.6
111.08149	3.7
119.08601	15.7
119.57410	3.1
121.10165	28.9
123.11715	23.3
133.10126	18.4
135.11674	12.9
137.13283	6.7
140.49617	3.5
147.11700	17.3
149.13289	12.4
151.14778	3.9
161.13260	19.1
163.14845	14.4
165.16359	5.2
175.14838	13.9
185.01254	3.5
245.22639	49.3
263.23697	100.0
289.88107	3.6
312.66769	3.0
337.27371	36.6
355.28445	38.0
563.28613	12.3
605.42133	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	598.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.0
55.05518	11.7
57.03433	8.0
57.07084	15.3
65.76270	1.8
67.05506	53.0
69.03440	1.9
69.07081	28.5
69.49568	1.7
71.08627	8.3
73.02929	2.2
75.04504	2.1
79.05484	10.4
81.07062	92.9
83.08622	22.8
85.06535	2.5
85.10185	2.1
87.65797	1.8
91.05476	13.6
91.21942	1.7
91.98606	1.7
93.07049	24.5
94.25896	2.5
95.08609	90.3
97.06522	9.0
97.10174	20.6
99.08076	2.3
99.18570	1.7
105.07026	14.7
107.08608	18.9
107.25153	1.8
109.02870	4.9
109.10152	48.8
111.08076	2.9
111.11715	4.6
115.41646	1.7
119.08566	15.0
121.10146	27.3
123.11711	24.5
127.03907	3.6
133.10110	20.1
135.11682	20.4
137.13239	10.8
147.11723	18.2
147.12741	1.8
149.13264	17.1
151.14830	2.8
161.13242	15.5
163.14781	14.0
165.16345	4.3
170.19246	2.2
175.14828	15.9
177.16380	2.6
179.17943	2.8
189.16386	4.0
191.00000	2.6
245.22672	50.8
263.23700	100.0
281.24905	4.0
337.27332	54.6
355.28424	36.5
453.22522	2.4
507.30652	2.4
563.29016	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	598.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20550	1.0
53.03951	1.4
55.01876	9.0
55.05516	2.3
57.03458	1.1
57.06821	1.4
57.07084	20.9
61.02919	1.0
64.23525	0.9
67.05501	6.7
69.03436	19.1
69.07061	4.6
71.04986	5.7
71.08632	21.2
73.02925	5.3
81.03430	22.3
81.07060	11.4
83.08626	7.2
85.02902	12.0
85.10168	10.5
88.38927	0.9
90.47716	0.9
95.08600	17.6
96.81319	0.9
97.02889	23.8
97.10165	4.3
99.04458	55.3
109.02879	47.1
109.10144	9.2
111.11710	1.0
123.11728	2.4
127.03912	67.5
128.87326	1.0
137.13226	1.0
145.04965	7.0
170.12799	1.2
232.87639	1.1
239.23705	4.3
257.24625	1.8
273.40192	1.0
320.09198	6.0
335.25577	1.6
383.27960	22.8
401.28970	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.4426
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05044	0.6
58.66143	0.5
67.05508	0.6
69.07063	0.7
70.06578	0.5
80.17282	0.4
81.07061	2.5
84.08141	0.9
84.11053	0.4
85.06578	0.5
93.07010	0.6
95.08607	1.0
96.36549	0.5
97.37286	0.5
106.24168	0.6
107.08589	1.0
109.10117	0.6
109.74532	0.5
119.08616	0.5
147.11696	1.0
149.13261	1.0
164.14305	0.5
165.12764	0.9
166.15868	2.1
168.13850	8.0
170.11818	2.4
181.16962	4.2
182.15404	100.0
185.16489	3.1
189.11227	0.8
190.53052	0.5
196.16959	6.0
199.18050	23.1
200.16527	2.5
210.18509	9.3
212.16426	2.1
213.19572	0.8
264.07053	0.5
333.25327	1.1
334.23679	0.8
351.26489	2.4
352.24786	1.2
369.27478	28.4
375.30090	1.0
376.28375	2.2
383.29092	0.7
393.30981	2.2
394.29388	0.8
397.30551	4.7
411.32178	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	598.4426
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	3.3
57.07068	0.5
67.05489	2.0
69.07072	2.2
72.04472	0.5
75.58377	0.5
76.08206	0.4
81.07064	1.9
83.08642	0.9
91.05455	0.6
93.07029	1.9
93.43373	0.5
95.08618	2.2
101.59892	0.5
107.08641	0.5
109.10162	7.7
111.08107	0.8
111.11727	0.7
117.78819	0.5
119.08537	0.8
121.10166	0.7
133.10170	0.5
135.11655	1.1
136.11238	0.6
137.09604	2.7
149.13263	1.1
152.10812	0.5
152.14348	0.6
153.13843	5.4
154.12271	100.0
156.10092	0.5
158.90309	0.5
166.15868	0.7
171.14920	49.2
172.13379	0.8
182.15320	1.1
195.18631	0.7
196.16959	22.9
198.14914	2.8
200.87263	0.5
210.18549	6.7
212.16447	2.5
213.19618	3.4
224.20064	14.2
227.21130	0.7
235.24913	0.5
241.22711	0.8
266.20428	0.5
270.12289	0.5
333.25375	3.2
334.23654	1.1
347.26859	2.1
351.26483	4.9
352.24863	0.7
365.28091	3.5
369.27454	34.2
383.29056	30.0
383.34146	0.7
411.32187	6.6
425.33817	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	599.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	0.8
57.07085	1.0
57.63195	0.4
67.05512	1.0
69.07073	2.5
79.05499	0.7
81.07059	4.1
82.31309	0.4
83.04968	0.7
83.08636	0.7
88.07647	2.6
91.05501	1.2
93.07055	3.5
95.04967	0.7
95.08607	3.0
99.04485	0.7
105.07050	1.9
107.08600	2.5
109.10175	1.8
111.08154	0.5
119.08612	3.0
121.10149	2.9
123.08076	1.9
131.08600	0.7
133.10168	1.1
135.08032	0.7
137.09613	0.5
145.10136	2.0
147.08080	0.8
147.11729	0.8
157.10147	0.9
159.11691	0.7
161.09602	0.7
165.09123	1.9
169.10095	0.6
175.11066	0.6
183.11775	0.6
189.12865	0.5
195.11823	0.6
197.13307	0.8
203.14291	0.7
211.14851	0.6
221.15462	2.2
242.24898	2.1
256.26422	1.1
290.27029	2.2
307.14545	0.7
358.16455	0.6
398.18832	0.6
451.16940	0.6
453.22632	0.9
465.19360	3.1
467.20877	1.8
477.23047	0.7
478.20309	0.6
479.21344	3.5
480.21674	3.8
493.18356	6.6
494.19180	0.9
503.21130	0.6
505.22470	0.9
506.19543	1.2
507.20172	3.6
507.35101	2.0
508.21057	7.4
509.21851	15.3
511.19504	4.1
521.21735	11.0
522.22601	4.4
523.23450	2.5
525.21643	2.8
542.11267	0.6
549.21411	2.1
557.24591	0.6
567.22375	32.3
568.23132	0.7
599.25085	100.0
599.40863	11.3
599.50031	8.6
605.96631	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05531	1.0
57.07086	1.3
59.17000	0.5
61.16726	0.5
61.38955	0.5
67.05515	2.7
69.03444	1.0
69.07055	1.0
72.45661	0.5
74.06077	0.6
79.05511	1.0
80.02383	0.6
81.07063	1.5
83.05010	0.7
83.08617	1.0
85.06529	0.9
87.04483	0.7
88.07642	2.3
91.05491	1.4
92.21492	0.8
93.07047	4.5
95.04968	0.7
95.08608	3.3
97.06528	1.0
105.07044	4.6
107.08609	3.1
109.06514	1.1
109.10177	2.6
111.79073	0.5
113.06019	0.5
119.08573	4.3
121.06528	1.2
121.10142	4.2
122.08182	0.7
123.08100	1.2
125.06006	0.6
129.07065	0.7
131.08589	2.3
133.10152	2.5
133.28030	0.6
135.11682	2.2
137.09605	1.1
139.07463	0.6
141.24409	0.5
142.07735	0.5
143.08620	1.0
145.10138	4.6
147.08092	2.6
149.09694	0.9
150.40701	0.6
155.08577	0.7
157.10143	3.4
159.11719	3.3
163.11292	0.9
163.74222	0.7
165.09099	5.3
167.10735	2.4
169.10136	1.2
171.11719	2.4
173.13361	0.7
181.12192	0.9
183.11777	1.5
185.13263	0.8
187.11224	0.8
193.10092	0.9
195.11685	1.3
197.13300	0.9
203.14462	0.9
209.13350	0.9
211.14902	0.8
213.12880	0.7
221.15353	4.8
242.24786	3.8
256.26498	1.0
279.15009	1.2
290.26889	5.1
358.18970	1.0
369.20737	11.9
369.25055	0.8
379.19281	1.3
387.78873	0.6
397.20178	9.8
409.20303	1.1
421.20459	0.9
423.21878	1.0
424.22702	0.9
425.19702	24.0
435.21915	0.7
437.19559	1.4
438.20514	0.7
439.20764	0.6
444.22568	1.0
451.21497	14.4
452.22174	2.7
453.19391	3.9
455.24301	3.1
456.25696	4.2
461.19617	0.8
462.20593	3.3
465.22989	1.3
467.24530	2.5
469.22461	1.3
483.23859	3.2
484.24597	8.5
497.21652	1.4
507.34531	1.0
511.23517	5.5
512.24188	14.0
521.22205	1.0
539.22876	14.0
553.42517	0.7
581.40283	2.2
599.25018	100.0
599.40851	16.9
599.50092	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	599.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	2.2
55.05518	6.1
57.03442	2.2
57.07073	1.6
58.93947	1.1
61.02923	1.7
67.05502	6.4
69.03442	21.0
69.07072	9.2
70.03233	1.0
71.04996	4.8
73.02914	1.9
79.05478	0.9
79.57249	0.9
81.03419	15.1
81.07061	24.7
81.07503	1.9
83.08616	6.2
85.02910	71.5
85.20820	1.0
86.73666	0.9
91.03981	1.0
93.07039	2.5
93.69262	0.9
94.19704	0.9
95.04970	1.0
95.08606	42.8
97.02893	34.0
97.03487	1.9
97.10178	2.5
99.04453	37.1
103.03948	78.6
105.06998	1.2
107.08609	6.4
109.02888	19.5
109.10155	26.7
119.08581	1.9
121.10158	2.0
123.11706	11.4
127.03917	100.0
135.11702	1.5
137.13289	4.7
145.04956	40.3
145.10120	1.5
149.13335	3.7
151.14812	9.6
159.11690	1.1
163.04662	1.1
163.05994	28.5
163.14764	1.6
165.16441	1.1
171.11659	1.3
172.72668	1.0
173.13297	1.4
179.05548	1.3
187.06038	2.4
205.07120	1.3
271.08124	4.5
289.09232	5.2
293.28369	51.4
297.20477	1.2
307.10196	6.8
351.55795	1.1
359.29337	1.4
371.29425	1.5
401.30597	5.2
419.31750	5.6
437.33066	1.3
599.37732	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	599.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61198	2.1
51.77564	1.6
53.03951	2.6
55.05510	10.3
61.02922	4.6
61.20479	1.9
63.26576	1.8
65.06262	2.0
67.05505	28.0
69.03432	19.2
69.07062	23.1
69.51599	2.0
71.05010	3.0
73.02905	3.6
78.95628	2.1
79.05489	4.8
81.03436	3.4
81.07067	35.6
83.08623	4.6
85.02898	31.2
87.04470	3.1
91.03948	2.5
91.05473	9.8
92.21576	3.2
93.07039	23.9
95.08599	71.0
97.02867	14.3
97.06539	2.6
97.10162	3.4
97.88263	1.9
99.04436	3.4
103.03956	2.5
105.07023	27.9
107.08580	36.5
109.02874	2.8
109.10151	65.1
117.07019	3.2
119.08575	49.7
121.10108	29.3
123.11690	8.8
127.03938	11.5
131.08559	18.2
133.10143	31.2
135.11678	13.4
137.13202	2.4
143.08551	11.2
145.10126	45.1
147.11684	28.3
149.09634	2.7
149.13252	11.6
155.08545	5.0
156.09351	2.7
157.10139	27.0
159.11685	26.8
161.13263	23.7
163.14771	2.7
164.89172	2.5
169.10110	21.4
171.11664	22.1
171.37173	2.2
173.13266	21.5
174.33104	2.4
175.14764	13.3
181.10104	8.5
183.11688	15.9
185.13275	20.5
187.14825	27.8
189.16342	10.7
193.10103	3.1
195.11765	9.8
197.13254	16.7
199.14792	13.3
201.16385	12.1
207.11667	3.6
209.13242	14.8
211.14777	4.5
213.16458	13.8
215.17931	5.1
221.13263	9.2
223.14766	11.5
224.15654	2.7
225.16376	14.0
227.17900	10.0
229.19461	3.1
235.14731	2.5
237.16338	24.3
239.17896	12.2
241.19487	3.9
245.18968	2.4
247.14592	3.0
249.16281	8.6
251.17908	17.1
252.18590	2.8
253.19412	16.3
263.17926	3.6
265.19516	19.9
267.20959	3.6
275.17712	3.7
277.19556	9.9
279.20895	4.8
289.19427	3.1
291.20993	20.4
292.21835	13.8
293.22583	13.3
305.22659	3.9
317.22690	3.5
361.28677	4.7
384.11569	2.8
401.32086	34.8
419.33054	99.8
437.34109	29.8
581.38184	33.9
599.39496	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65822	1.3
54.22213	1.3
54.71545	1.5
55.01868	1.3
55.05516	6.6
57.03437	2.4
58.43626	1.4
61.02943	3.3
67.05505	19.7
69.03436	15.4
69.07067	15.5
79.05482	3.3
81.03421	3.2
81.07066	26.2
83.08615	2.4
85.02905	28.1
87.04482	3.1
91.05469	6.9
93.07039	18.2
95.08610	50.9
97.02883	8.4
97.10175	2.6
99.04476	1.8
102.89132	1.5
105.07036	14.6
107.08595	25.8
109.02856	2.7
109.10157	46.6
117.07053	2.3
119.08582	35.6
121.10146	20.2
123.11720	3.9
124.62809	1.8
127.03930	7.3
131.08557	10.4
133.10120	22.3
135.11699	9.3
143.08554	8.8
145.10117	25.5
147.11755	14.9
148.98497	1.6
149.13231	3.2
155.08525	3.1
157.10123	18.0
159.11682	17.7
161.13258	12.9
169.10077	11.9
171.11688	22.1
173.13300	14.2
175.14743	2.4
179.08463	2.0
181.10124	3.8
183.11668	17.7
185.13257	11.4
187.14845	10.0
189.16302	1.8
193.09958	2.0
195.11652	13.2
197.13304	10.4
199.14807	10.0
201.16341	6.4
206.10733	1.9
207.11720	6.7
209.13235	12.0
211.14862	13.5
213.16371	9.2
221.13240	8.5
223.14767	9.0
225.16420	9.6
227.17957	3.8
235.14786	6.3
236.15540	2.1
237.16309	17.1
239.17963	6.6
241.19449	2.6
249.16432	6.4
251.17834	14.2
252.18614	3.2
253.19516	15.0
261.16190	1.9
263.17905	7.1
265.19452	18.1
269.19083	2.1
269.22794	2.0
277.19559	10.4
279.21127	2.9
289.19437	3.3
290.20187	2.5
291.21024	24.7
292.21860	9.2
293.22662	9.3
295.24347	2.0
305.22772	3.8
314.56332	1.7
317.22617	1.9
319.24207	4.0
331.24030	2.9
345.25861	3.4
388.51459	2.1
391.90509	1.7
401.32068	50.3
419.27188	3.3
419.33054	100.0
437.34155	23.3
456.56512	1.8
456.62622	1.8
490.36880	1.8
581.38342	32.4
599.39380	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	599.3935
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07554	1.6
51.31284	1.4
53.39323	1.8
55.05510	2.3
56.37075	1.8
57.07089	1.9
60.79455	2.2
61.02919	3.0
67.05498	9.4
69.03442	16.4
69.07061	11.3
79.05479	4.0
81.03419	4.4
81.07058	17.6
83.08616	3.5
85.02892	34.4
87.04477	2.5
90.75109	1.9
91.05470	4.1
93.07034	10.2
95.08604	29.7
97.02896	13.0
97.10197	1.9
99.04431	3.0
101.50017	2.0
103.95892	2.3
105.07037	18.1
107.08588	22.3
109.02868	5.0
109.10156	32.3
114.09224	1.9
117.06943	2.6
119.08569	31.0
121.10138	13.7
123.07974	2.1
123.11707	10.6
127.03902	10.8
131.08572	13.0
133.10089	16.6
135.11713	11.7
143.08548	4.8
145.02866	4.6
145.04906	2.9
145.10112	16.4
147.11678	20.9
149.13254	9.6
157.10121	18.1
159.11694	20.8
161.13286	15.7
163.14856	3.1
169.10091	8.9
171.11679	18.8
173.13263	19.7
175.14825	12.0
177.05478	9.5
177.16374	2.2
181.10109	4.1
183.11681	11.7
185.13245	13.1
187.14836	16.3
189.16374	10.7
194.33000	2.2
195.11658	3.3
197.13248	4.6
199.14771	17.5
201.16353	11.1
209.13254	9.6
211.14774	10.9
213.16350	19.1
215.17917	5.2
217.15935	19.5
223.14746	8.2
225.16382	8.5
227.17914	8.6
237.16402	3.9
239.17960	2.6
241.19553	4.6
249.16438	3.8
251.17903	4.9
257.19031	2.8
263.17914	3.9
265.19571	3.1
279.21017	3.2
291.21039	3.1
363.27054	2.5
379.29956	5.0
401.31982	20.3
419.08047	2.5
419.33035	75.9
421.34573	3.1
437.34216	44.2
563.37146	9.0
581.38348	24.9
599.17682	4.3
599.39465	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	599.394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.0
57.03432	2.1
57.07076	2.0
67.05505	10.6
69.03428	15.0
69.07074	17.3
71.04993	2.7
73.02922	1.9
79.05501	4.0
81.03416	3.7
81.07069	24.8
83.08614	4.1
85.02905	30.0
91.05524	3.9
93.07037	14.3
94.63277	1.9
95.08600	36.1
97.02889	11.1
105.07079	14.5
107.08590	25.9
109.02864	3.6
109.10168	47.6
117.07021	1.9
119.08586	29.1
121.10131	24.7
123.11726	9.2
127.03934	8.6
129.07018	2.4
131.08601	4.7
133.10124	22.6
135.08081	2.6
135.11719	11.8
142.07811	1.9
143.08586	4.9
145.04970	2.6
145.10124	21.9
147.11691	24.3
149.13202	5.8
157.10164	17.2
159.11716	16.1
161.13257	16.7
163.14862	3.1
169.10143	9.0
171.11658	15.5
173.13269	19.6
175.14835	8.8
177.05513	2.7
181.10133	3.5
183.11726	13.0
185.13245	13.9
187.14804	18.2
189.16400	12.2
195.11720	3.1
197.13307	10.2
199.13222	2.1
199.14865	13.6
201.16389	14.3
203.18036	2.9
207.11694	2.5
209.13297	9.9
210.13927	2.0
211.14865	8.3
213.14708	2.1
213.16446	13.6
215.17963	8.8
217.15833	19.6
221.13205	2.1
223.14868	3.4
225.16429	5.0
227.17841	8.1
237.16400	7.8
239.17903	4.9
241.19530	11.4
251.18013	4.1
253.19551	4.5
263.17957	2.6
265.19537	4.2
267.20984	3.7
279.21005	2.5
291.21091	2.8
309.22296	3.9
337.25131	2.5
345.25848	3.0
363.26517	2.6
401.31979	16.5
419.33038	75.3
437.34180	53.0
581.38190	18.7
599.29742	3.2
599.39386	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50978	1.3
53.03949	1.5
55.01870	1.9
55.05527	3.6
57.03439	1.8
59.59155	1.7
61.02931	2.2
67.05511	19.2
69.03436	15.2
69.07064	17.1
70.06586	2.4
71.05000	2.6
79.05503	7.7
81.03439	2.3
81.07065	26.2
83.04993	3.1
83.08627	8.3
85.02905	26.9
86.09743	5.8
87.04467	1.8
91.05479	7.5
93.07031	16.2
95.08606	42.5
96.54339	1.8
97.02908	11.2
97.10144	1.9
99.04435	2.7
100.82854	1.5
105.07029	17.0
107.08599	31.1
109.02898	3.1
109.10159	60.1
111.08139	2.0
115.27299	1.4
117.07042	2.7
119.08581	28.2
121.10128	21.6
123.11727	8.0
125.09686	3.0
127.03905	3.9
129.07019	2.5
131.08582	8.3
133.10130	19.2
135.11691	10.4
141.06960	1.9
143.08598	9.0
145.04929	2.7
145.10130	21.4
147.11703	17.1
149.13284	11.0
155.08568	3.2
157.10129	17.9
159.11664	15.3
161.13258	15.6
163.11197	6.5
163.14772	2.1
165.22095	1.6
169.10152	10.8
171.11713	17.8
173.13286	17.8
175.14871	7.9
181.56856	1.6
183.11670	13.9
185.13251	13.6
185.14743	1.5
187.14809	13.7
189.16438	2.3
193.10147	2.1
194.06900	1.6
195.11780	8.4
197.13284	11.3
199.14842	11.8
201.16409	8.4
205.15756	1.9
207.11752	3.4
209.13284	10.3
211.14821	9.6
213.16414	8.1
217.15869	10.0
221.13385	3.0
223.14903	11.6
225.16396	12.1
227.17944	8.4
231.17354	2.2
235.14870	4.1
237.16344	11.8
239.18030	8.6
241.19550	3.3
243.17537	2.6
249.16508	6.3
251.18010	9.3
253.19536	11.3
263.17981	8.0
265.19489	12.6
267.21112	3.4
275.18002	2.6
277.19562	2.5
279.21115	2.8
283.20410	2.4
289.19531	2.3
291.21088	10.9
292.21933	3.3
293.22678	8.9
305.22739	2.4
309.22278	6.5
311.23605	2.2
319.24127	2.3
345.25937	7.9
363.27036	1.9
401.31970	36.7
419.33084	91.1
437.34140	56.3
563.37244	2.3
581.38312	20.6
599.39398	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	599.394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25300	3.6
51.82654	3.2
53.07176	3.0
55.05516	6.8
55.44497	3.0
55.81886	3.2
57.34985	3.2
67.05505	27.1
69.03442	7.6
69.07074	24.9
71.04990	5.4
79.05496	5.1
80.36748	3.9
81.07061	33.2
83.08619	6.8
84.68402	3.6
85.02902	39.9
89.09582	5.0
93.07064	29.0
95.08619	34.4
97.02885	8.7
105.07003	9.6
107.08595	37.6
109.10161	100.0
114.09200	6.4
119.08555	41.8
121.10144	20.6
123.11718	6.5
127.03903	4.7
127.11200	9.7
131.08574	10.3
133.10158	27.5
135.11630	5.2
143.08563	8.4
145.10153	34.9
147.11699	23.8
157.10129	24.8
159.11707	38.0
161.13272	8.3
163.14752	5.5
169.10049	9.1
171.11737	20.6
173.13271	18.3
175.14844	8.8
183.11638	8.4
185.13260	20.8
187.14810	16.8
195.11789	7.4
197.13248	10.2
199.14786	20.8
201.16364	17.1
207.11887	5.6
211.14757	5.5
225.16339	6.4
227.17963	8.5
237.16454	5.9
239.18008	6.8
249.16589	4.9
251.18010	5.6
253.19669	7.2
267.21112	5.9
277.19370	6.8
292.21832	9.4
393.96075	4.2
401.31964	26.4
419.33014	97.9
420.97598	4.5
437.34198	18.7
581.38428	28.2
599.39423	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	599.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22360	2.2
55.05518	5.0
61.02918	3.8
62.74512	2.5
67.05507	30.2
69.03434	15.0
69.07065	17.7
79.05494	3.3
79.10944	2.8
81.03413	4.6
81.07062	29.2
82.11150	2.4
83.05000	3.7
83.08654	3.8
85.02898	37.2
92.03444	2.7
93.07038	14.5
95.08612	49.7
97.02885	14.3
105.07024	11.3
107.08577	31.5
109.02901	3.7
109.06512	3.1
109.10156	88.0
119.08601	27.9
121.10133	20.7
123.11686	15.2
127.03902	13.9
131.08531	11.4
133.10092	21.3
135.11703	6.5
137.13251	4.7
145.02864	5.5
145.04948	2.9
145.10144	25.4
147.11722	14.1
149.13219	4.6
151.11211	3.3
155.08479	3.1
157.10120	14.5
159.11661	20.7
161.13232	17.2
163.14780	3.3
169.10138	13.1
171.11682	6.2
173.13269	18.5
175.14842	11.1
177.05424	21.0
181.10355	3.3
181.56047	2.8
183.11737	6.7
185.13261	11.8
187.11307	2.8
187.14796	6.8
195.11639	6.0
197.13248	17.3
199.14821	11.7
201.16374	5.2
209.13174	4.9
211.14732	6.6
213.16370	11.0
215.17921	5.8
223.14885	3.1
225.16496	4.2
227.17908	5.0
231.33325	2.9
237.16373	4.8
239.17738	3.7
241.15955	3.8
251.17920	4.2
253.19537	6.8
258.54688	2.7
265.19440	3.4
266.79865	2.9
267.20987	4.5
279.21204	3.9
292.21832	4.4
293.22583	4.2
301.07162	3.1
309.22110	3.3
310.22736	3.5
314.05771	2.7
363.27020	4.1
401.32010	10.7
419.33090	85.6
437.34155	56.3
448.50473	3.5
521.79413	3.2
522.41437	3.1
581.38263	16.0
599.39307	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05530	2.8
55.15740	1.3
57.03445	1.9
57.73758	1.3
59.01234	1.2
61.02931	2.2
67.05516	12.6
69.03439	10.2
69.07078	10.4
70.06593	6.4
79.05489	1.7
79.12463	1.3
81.03422	1.9
81.07062	17.2
83.04994	2.0
83.08634	2.3
85.02910	22.2
85.06589	1.3
87.04482	1.4
91.05479	2.5
93.07071	13.5
95.08613	26.8
95.37085	1.7
97.02914	8.9
97.10217	2.1
105.07042	13.7
107.08598	22.1
109.02900	3.6
109.10160	41.3
119.08584	24.0
121.10154	17.4
123.11718	8.5
125.09711	2.4
127.03941	6.2
131.08588	7.2
133.10147	18.3
135.11719	8.5
138.36470	1.5
143.08594	7.1
145.10112	21.3
147.11678	14.5
149.13275	11.2
155.08682	1.7
157.10104	20.0
159.11697	16.2
161.13251	10.7
163.11234	2.1
163.14908	2.0
169.10179	6.0
171.11664	13.9
173.13251	15.9
175.14877	7.3
177.16348	1.5
181.10143	2.4
183.11673	10.4
185.13275	10.5
187.14851	15.5
189.16409	2.5
195.11650	3.7
197.13316	8.6
199.14915	10.0
201.16472	7.6
209.13351	6.0
211.14969	6.3
213.16422	11.1
215.17999	6.4
217.15933	11.5
223.14891	7.5
225.16463	8.8
227.17969	3.2
233.13104	1.8
235.14877	3.6
237.16481	8.0
239.18069	6.6
241.19617	3.7
243.17326	1.9
249.16466	2.5
251.18031	8.5
253.19580	9.3
261.25992	1.7
263.17938	3.2
265.19550	7.1
267.21124	3.1
277.19766	6.9
279.21210	3.5
291.21127	3.1
292.21893	3.0
293.22867	5.8
305.22714	1.7
321.25897	2.4
335.23563	2.0
345.26129	2.0
363.26883	2.5
373.00201	10.1
391.01215	3.3
401.32062	26.7
419.33118	78.0
437.34140	43.8
581.38477	20.9
599.39502	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.48854	2.7
61.99628	3.0
67.05497	18.0
69.03437	5.1
69.07070	17.2
77.16090	2.4
77.25986	2.8
79.05515	5.6
81.07061	18.7
82.23540	2.9
83.08622	5.4
83.72552	2.6
85.02911	26.2
93.07051	11.6
95.08598	33.4
97.02888	5.7
99.04441	3.0
105.07042	6.3
107.08591	17.3
109.02915	3.1
109.10169	48.5
114.09128	3.5
117.02186	3.0
119.08588	22.2
121.10136	35.4
123.11729	4.5
125.34559	3.1
127.03899	5.7
131.08580	4.2
133.10112	14.2
135.08044	6.4
135.11688	13.8
141.55495	3.2
145.10123	15.9
147.11668	6.7
149.13266	6.1
157.10115	7.1
159.09161	3.4
159.11688	7.4
159.82210	3.4
161.13206	5.8
165.47984	3.2
169.10243	4.8
171.11736	11.9
173.13231	3.8
175.14838	3.8
177.16330	3.7
183.11627	5.3
187.14806	6.4
189.16344	7.2
192.07365	2.8
197.13242	6.3
199.14670	3.8
201.16405	3.4
209.13141	3.4
211.14799	3.5
213.12943	3.1
213.16318	3.6
217.15826	23.1
223.14786	3.6
249.16260	4.6
279.21051	4.1
302.90710	3.5
327.23071	4.3
337.25137	3.7
350.09262	3.8
401.31866	5.6
419.33145	32.1
437.34302	32.0
599.17078	3.7
599.29449	3.7
599.39349	100.0
625.82294	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	599.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46795	1.8
50.71552	1.9
55.05516	3.6
58.28194	2.4
66.63440	2.4
67.05512	32.9
69.03426	9.4
69.07071	16.3
69.07462	1.8
79.05483	4.8
81.03433	3.2
81.07059	22.2
83.08616	2.6
85.02897	23.2
93.07038	5.0
95.08604	49.5
97.02890	5.5
105.07016	5.8
107.08596	16.4
109.02907	2.6
109.06478	3.0
109.10163	100.0
111.11790	2.4
114.09179	11.8
118.50898	2.2
119.08574	12.7
121.10145	16.0
123.11669	4.4
127.03931	5.6
130.72925	2.7
131.08586	3.7
133.10164	5.5
133.71452	2.6
135.08124	3.6
135.11678	3.3
143.08611	4.3
145.10136	21.6
147.11655	15.2
149.13268	3.2
151.11192	3.7
157.10104	5.7
159.11673	14.7
161.13194	3.2
169.10126	10.2
171.11696	10.7
173.13251	4.1
175.14821	3.1
183.11694	4.7
184.59705	2.9
185.13239	5.9
187.14809	4.6
197.13216	6.0
199.14832	4.9
201.16373	3.4
211.14835	3.6
227.17894	3.9
253.19492	13.1
255.89900	2.7
311.23688	6.1
397.17499	20.9
397.54364	2.6
402.69675	2.5
419.33212	34.0
437.34192	71.0
581.38379	4.4
599.24725	49.9
599.38953	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	599.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08761	0.5
55.05534	0.6
57.07076	3.9
59.05005	1.2
67.05508	2.9
69.03443	3.1
69.07085	1.0
71.29567	0.5
77.44820	0.6
79.05509	1.1
80.59388	0.5
81.07061	5.0
83.04971	1.2
83.08604	0.8
85.06558	1.0
91.05494	2.4
92.49935	0.5
93.07039	8.6
95.04983	2.1
95.08599	5.7
97.06554	0.8
105.07034	8.6
107.08620	5.6
109.06534	2.4
109.10160	3.7
117.07024	0.7
119.08588	11.8
121.06487	1.0
121.10123	6.4
123.08065	5.3
124.27966	0.5
125.06007	0.8
129.06985	1.3
131.08586	3.5
133.10121	9.4
134.33517	0.6
135.08055	6.1
135.11717	2.9
137.09610	9.1
139.07565	0.9
143.08578	4.8
145.10085	9.8
147.08054	16.8
147.11710	2.6
149.09619	2.4
151.07518	6.7
155.08580	2.2
156.09360	0.9
157.10110	7.5
159.08087	0.9
159.11725	6.0
161.09648	4.0
161.13213	4.7
163.11162	5.0
165.09116	39.0
166.28786	0.6
169.10165	3.8
170.10924	1.2
171.11639	5.3
173.09612	1.2
173.13271	3.3
175.11179	0.8
175.14690	0.9
177.09183	2.3
179.08606	0.6
181.10059	0.7
181.12256	1.2
183.11745	5.0
185.09669	0.7
185.13191	4.7
187.11194	2.5
187.14868	0.8
189.12868	2.9
191.10739	2.8
193.10181	0.7
195.11717	1.3
196.12560	0.6
197.13263	3.1
199.11305	0.6
199.14958	0.9
203.14342	11.2
205.12202	0.6
207.11884	0.9
207.13861	3.8
209.13222	2.2
211.11163	0.6
211.14864	3.8
213.12711	0.8
221.13327	1.8
221.15340	33.1
223.14862	2.3
235.14929	1.2
247.17087	3.4
281.19046	0.9
286.19467	0.7
287.20181	3.6
290.26944	1.2
299.20071	1.1
311.19946	0.8
327.23273	1.0
365.24921	1.2
391.26367	1.4
419.29471	1.1
427.28470	2.2
507.34763	8.7
581.40442	0.8
599.40967	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42445	5.1
55.05276	5.1
55.05514	42.1
57.07074	8.5
63.51020	5.6
67.05521	48.8
69.03413	7.7
69.07079	50.0
77.03769	5.9
79.05495	35.6
81.07070	85.6
83.04980	8.6
83.08620	32.2
85.06531	5.8
88.07623	10.7
91.05473	27.8
93.07043	63.5
95.04945	11.5
95.08619	63.8
97.06504	10.7
97.10172	40.4
105.07030	44.0
105.18610	6.1
105.52621	5.6
107.08598	56.7
109.06514	6.5
109.10167	34.1
117.07027	23.5
119.08598	60.9
121.06543	6.9
121.10130	62.3
122.20120	5.8
123.08091	9.2
123.11664	7.9
125.09657	26.0
129.07042	6.5
131.08565	52.5
133.10158	54.2
135.11685	32.9
137.09636	9.9
143.08568	27.4
145.10126	78.0
147.11690	27.7
149.09601	11.9
149.13278	9.5
151.07523	7.6
155.08578	12.5
157.10143	48.6
158.05174	5.9
159.11667	66.6
161.13257	15.4
165.09105	12.4
167.10664	43.3
169.10139	11.9
171.11687	26.7
173.13249	56.4
175.14847	8.3
183.11681	28.0
185.13245	30.1
187.14790	12.8
197.13248	24.8
199.14862	9.4
209.13274	9.4
213.16461	9.3
218.75082	5.9
221.13126	7.4
221.15303	10.5
223.14838	6.2
225.16310	10.2
229.19489	8.1
233.15266	22.9
240.15416	7.4
242.24840	12.0
246.34015	7.1
256.26398	11.0
290.26849	23.8
321.33746	7.4
399.32471	61.2
455.35471	7.0
487.37756	14.6
517.40198	9.1
523.19910	25.3
549.42950	9.2
553.24744	7.1
567.43799	15.2
581.46014	49.1
599.21307	25.8
599.40558	100.0
599.47717	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	600.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99585	14.0
67.05518	3.2
69.07065	3.5
76.02235	100.0
78.64697	2.4
79.05498	3.6
79.54582	3.1
81.07047	10.6
81.77570	3.1
84.04504	6.7
85.02921	4.0
91.05505	5.2
93.07048	6.3
95.08617	4.5
97.02892	2.9
105.07055	5.8
107.08586	5.8
109.06532	4.2
109.10118	5.3
116.01665	19.9
119.08641	3.1
121.10160	4.1
127.03905	2.8
130.05028	13.9
130.33115	2.6
130.35777	2.5
131.08586	3.3
133.10149	12.1
138.80420	2.5
142.03241	9.8
144.01184	22.9
145.10120	3.1
147.11703	4.1
149.09564	3.3
159.11684	4.6
161.09647	2.8
162.02214	69.3
173.13268	3.8
177.12666	3.3
179.04869	60.3
205.48354	2.8
233.05939	4.7
257.19089	4.6
258.79974	2.8
273.18420	3.9
275.20050	39.6
293.21069	10.7
308.08994	31.8
362.34732	3.3
368.22467	10.4
600.29541	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	600.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	2.5
57.07083	10.1
58.08681	1.8
59.04989	2.4
69.03409	1.9
69.07088	2.5
72.34854	1.5
79.05505	3.9
80.54939	1.7
81.07078	12.2
83.04993	3.7
84.36712	1.5
85.06561	2.6
91.05489	7.4
92.70067	1.8
93.07028	17.2
95.04976	3.2
95.08617	14.5
105.07044	25.2
107.08614	11.3
109.06533	3.7
109.10153	4.1
117.07030	2.1
117.89839	1.6
119.08578	33.9
119.23701	1.9
121.06544	2.1
121.10149	18.2
123.08080	11.0
125.06012	11.4
129.07065	2.2
131.08586	9.9
132.09392	2.3
132.84789	1.8
133.10130	13.9
134.10913	2.9
135.08044	17.1
135.11736	9.4
137.06055	2.1
137.09613	13.7
139.07622	2.3
142.07689	3.0
143.08562	12.6
144.09335	1.9
145.10100	25.8
147.08046	25.4
147.11691	3.8
148.08470	1.7
149.09654	10.2
151.07539	12.3
156.00201	2.1
156.09416	2.6
157.10115	24.2
158.10609	2.8
159.08087	2.8
159.11690	18.6
161.09645	8.0
161.13286	8.7
163.11191	17.0
165.09106	63.7
165.10425	3.3
166.09424	6.9
166.17233	1.7
169.10164	10.5
170.10878	3.1
171.11687	11.2
172.12383	2.1
173.09572	5.6
173.13274	10.4
175.11176	10.2
175.14816	1.9
176.15181	1.8
177.09126	2.6
178.09988	2.3
179.10609	2.0
181.10191	3.4
181.12267	13.4
183.11700	10.2
185.13278	10.3
187.11218	3.4
187.14751	2.1
189.12804	8.7
190.13550	6.8
191.10748	3.0
193.12202	13.3
195.11781	6.5
197.13216	10.2
199.11209	4.0
199.87709	1.8
201.12758	6.9
203.14317	28.7
204.14691	1.7
205.69360	1.7
207.13847	9.3
208.12630	2.1
208.14581	4.2
209.13272	7.0
211.14874	8.9
213.12791	2.7
215.14355	6.7
219.13815	11.1
221.13263	3.8
221.15353	50.9
221.17499	2.4
222.15802	4.4
225.12828	2.5
225.16434	3.0
227.14351	2.0
234.16309	8.7
237.16382	1.9
243.13974	2.7
247.16867	14.1
248.17599	2.7
251.14468	2.2
259.16986	2.7
274.19333	6.0
286.19226	2.7
287.20145	9.2
295.20810	2.6
297.18814	2.2
299.20160	12.9
312.20886	3.4
313.21582	2.4
325.21408	12.4
337.21960	2.3
339.23126	2.4
340.23889	3.7
352.23965	19.2
379.26443	1.9
387.25327	6.6
391.26401	3.1
419.29486	7.9
425.26920	11.2
427.28595	12.9
440.29169	29.2
454.30820	3.2
468.13998	1.9
508.35278	2.6
520.35577	47.7
551.45184	2.1
573.27911	2.0
600.41449	100.0
600.50201	4.6
624.54907	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	600.417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	6.1
57.06166	3.7
57.07087	6.7
57.42982	3.8
67.05506	27.0
69.03447	5.6
69.07079	6.4
71.04989	5.1
79.05525	15.8
81.07069	46.4
83.04997	8.4
83.08636	7.5
85.06554	7.2
91.05473	23.8
93.07056	56.1
95.04964	22.8
95.08605	47.8
97.06553	8.3
105.07046	54.2
107.08597	68.5
109.06533	18.4
109.10161	20.5
116.97898	4.4
117.07017	5.4
119.08562	67.7
121.06498	17.1
121.10142	60.7
123.08056	30.8
123.11696	4.8
125.06061	5.2
125.09621	7.8
129.06995	17.3
130.24207	3.9
131.08621	34.6
133.06429	5.2
133.10139	46.7
135.08054	34.0
135.11668	9.1
137.09637	20.5
142.07796	6.4
143.08591	52.6
145.10153	63.9
147.08057	36.4
147.11707	10.9
149.09628	24.1
151.07544	21.9
156.09314	5.4
157.10115	80.3
159.08041	5.8
159.11661	49.4
160.08873	4.7
161.09613	23.9
161.13301	7.9
163.11217	9.2
165.09102	64.3
167.10719	8.3
169.10107	22.0
170.10889	9.9
171.11682	44.6
173.09625	22.4
173.13165	6.9
175.11220	26.6
175.50385	5.4
181.10144	5.7
183.11719	26.5
184.12488	4.3
185.09583	5.6
185.13255	28.0
187.11259	5.8
189.12691	17.1
190.13507	16.1
193.10172	10.1
193.12119	9.4
195.11723	30.8
197.13269	35.7
199.11150	5.4
200.37149	4.2
203.14305	36.9
207.11621	17.4
207.13797	19.0
208.12431	7.7
209.13260	24.9
211.14752	9.8
213.12790	16.4
220.12440	5.2
221.13341	14.6
221.15375	58.9
223.14830	9.5
225.16405	5.3
233.13303	6.2
233.15424	29.2
234.16074	5.4
235.14810	10.9
236.15723	7.0
237.14874	27.7
247.14600	4.6
247.16949	9.7
248.14017	10.0
255.17442	17.3
265.15747	5.9
270.19785	9.1
271.16855	6.1
274.19312	5.4
287.20111	9.3
299.19974	18.8
303.19659	24.9
313.21564	6.3
325.21661	10.0
337.21481	5.9
352.23901	76.9
365.24884	18.3
383.25900	8.4
484.06903	5.4
502.34015	6.6
507.34641	20.4
520.35309	100.0
582.40601	14.4
600.41431	59.5
600.50610	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	600.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82052	4.7
55.05523	5.4
57.07078	7.3
59.05006	4.9
66.98660	4.7
67.05516	12.5
67.92982	4.4
69.03431	7.5
69.07075	6.6
71.32653	4.4
79.05508	9.7
81.07063	33.2
83.04999	9.4
85.06535	5.7
91.05460	12.3
93.07049	57.1
95.04970	21.6
95.08601	24.6
105.07024	48.8
107.08581	54.1
109.06538	8.4
109.10167	12.3
117.07047	6.2
119.08572	84.6
120.97366	5.2
121.06516	8.1
121.10139	52.3
123.08068	23.8
125.09639	12.0
129.07037	8.9
131.08560	30.4
133.06419	5.6
133.10144	43.3
135.08052	26.5
137.09645	10.5
143.08566	35.4
144.09373	8.1
145.10127	61.4
147.08038	42.2
147.11719	21.5
149.09543	17.8
151.07533	12.3
156.23253	5.8
157.10114	81.3
158.10951	6.2
159.08060	7.9
159.11664	33.7
160.42778	5.4
161.09610	22.9
161.13304	6.4
163.11189	8.6
165.09099	55.7
167.10677	11.9
169.10123	22.6
170.10826	5.9
171.11700	33.1
173.09566	9.6
173.13246	9.6
175.11186	11.6
181.10191	6.3
183.11665	30.9
185.13248	26.6
187.11168	10.9
189.12785	10.4
193.12337	6.1
195.11667	12.9
197.13292	26.4
199.11131	7.6
199.14798	8.6
201.12773	9.0
203.14281	33.8
207.11888	10.5
207.13824	22.5
209.13179	20.3
211.14799	6.3
213.16405	6.6
221.13287	15.4
221.15364	55.7
223.14784	9.3
225.12564	7.7
226.87364	5.3
227.14078	5.7
233.13289	8.4
233.15341	12.0
234.16200	8.1
237.14874	34.2
248.14171	7.4
249.16354	8.4
255.17308	7.2
286.19293	9.2
299.20230	16.3
303.19556	21.3
325.21851	10.3
352.23938	68.5
365.24445	7.1
370.34698	5.5
502.34277	9.5
507.34607	9.0
520.35425	100.0
600.41583	75.9
600.50043	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	600.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78659	4.1
55.05501	7.6
57.07077	8.5
63.50364	5.1
65.56386	5.2
66.32665	5.2
67.05502	7.9
69.07062	5.9
71.05010	6.6
74.23480	5.6
79.05486	10.7
81.07054	30.2
83.04980	12.3
83.08647	7.1
91.05479	25.8
93.07046	50.0
95.04948	8.6
95.08614	35.4
97.06536	8.5
105.07050	54.5
107.08604	60.4
109.06474	8.2
109.10165	27.1
117.07039	9.8
119.08596	43.0
121.06583	5.7
121.10145	44.3
121.91563	5.0
123.08064	13.3
129.06998	6.2
131.08583	40.2
133.10132	44.9
135.08083	8.1
142.07765	6.3
143.08551	49.6
145.10129	60.0
147.08023	9.9
147.11676	10.7
155.08577	10.3
156.09370	8.0
157.10114	61.0
159.08069	13.5
159.11717	47.1
161.09637	8.6
161.13326	6.2
163.11067	6.1
165.09084	7.3
167.10632	12.6
169.10115	23.5
170.10909	8.2
171.11662	35.4
173.13248	10.7
179.08470	8.0
181.10168	12.8
183.11687	25.4
185.13202	13.4
187.11217	5.7
195.11682	26.3
196.12448	7.1
197.13269	32.2
199.14859	7.1
207.11699	13.4
208.12421	6.5
209.13306	22.5
211.14864	23.6
221.13191	10.6
221.15315	22.0
223.14824	22.7
225.12743	7.0
233.15324	11.2
233.21292	5.3
237.16444	7.8
249.16264	6.5
253.15746	7.7
255.17348	11.3
600.41797	100.0
600.50244	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	600.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21482	2.5
53.00328	2.5
57.07085	39.6
64.50327	3.0
65.38656	3.7
69.07092	4.4
71.08627	27.8
78.84762	3.0
81.07069	3.0
85.10223	15.0
87.04451	3.4
89.06031	100.0
89.06539	5.0
93.07059	3.1
97.10222	2.9
98.67162	2.7
120.10415	3.1
130.86156	3.6
133.08592	32.8
135.21228	3.1
177.11244	5.8
213.22169	3.2
231.09946	3.0
235.24742	3.8
237.67795	3.5
257.24734	5.2
281.49203	3.4
320.09113	36.5
415.25275	5.1
421.32736	3.9
583.44391	59.3
600.33765	3.2
600.37256	4.1
600.46722	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	600.4947
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	0.7
66.70218	0.6
67.05524	0.7
70.06600	1.3
81.07056	0.7
83.08607	0.6
86.19176	0.6
88.07640	2.5
93.40623	0.6
95.08610	2.8
97.10180	2.4
100.81608	0.5
106.08666	3.7
109.10155	1.1
111.45771	0.6
113.45000	0.6
123.08023	1.0
139.47156	0.6
139.93327	0.7
140.10710	23.5
140.11725	1.3
147.71669	0.5
149.23093	0.7
153.53584	0.6
154.12274	23.8
157.13354	17.4
168.13802	0.7
170.11687	0.7
171.14963	8.6
195.28430	0.6
198.61633	0.7
199.48367	0.6
199.77013	0.6
242.48283	0.6
256.26346	3.5
274.27396	100.0
291.20557	0.9
292.18997	1.3
294.59598	0.6
309.21680	3.8
327.22684	13.4
340.36697	0.7
399.18631	0.6
431.08163	0.6
551.90704	0.7
600.49805	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	601.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95488	0.7
53.03957	2.3
55.05524	1.4
56.45168	0.8
57.03426	0.8
67.05524	1.1
69.03447	10.3
69.07077	1.5
70.06599	1.2
73.02921	1.3
78.24822	1.0
79.05508	4.0
81.03440	9.2
81.07064	8.9
83.04980	4.4
85.02920	17.6
85.06595	1.1
87.00836	7.4
91.05490	4.0
93.07050	2.1
95.08597	3.9
97.02884	14.3
99.04459	6.5
103.03963	4.8
105.01868	5.6
105.07021	4.3
107.04951	8.2
107.08596	29.7
109.02882	26.1
109.06548	1.6
109.10179	4.6
111.08145	1.0
116.07116	1.2
119.08580	2.2
120.08066	1.1
121.06474	1.3
121.10159	11.7
122.07292	2.3
127.03915	31.5
129.01833	2.2
131.08569	4.4
133.10133	100.0
135.08073	8.7
135.11650	1.7
137.09621	67.2
145.04971	3.7
145.10121	2.0
147.11674	2.3
149.09662	1.9
149.13271	11.3
154.48283	1.0
155.21301	0.9
159.02898	4.7
163.06023	1.5
163.14857	2.3
173.13261	8.8
186.39658	1.0
191.14302	90.6
209.15350	3.8
213.04016	7.2
231.05043	8.7
249.06073	2.0
291.07138	1.6
346.40063	1.2
357.07962	1.8
373.36435	1.1
375.09445	3.4
393.10318	7.6
403.17294	5.8
421.18643	2.1
421.33655	2.0
601.40070	5.5
613.26190	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	601.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00329	1.0
55.05515	3.7
57.03434	1.2
57.07085	2.2
61.02936	1.2
65.77337	0.8
66.49581	0.9
67.05508	6.3
69.03434	8.6
69.07072	11.1
71.04993	12.3
71.08628	1.0
79.05506	3.9
81.03442	1.7
81.07060	10.9
83.08620	4.7
85.02904	33.6
87.04494	1.1
88.85711	0.8
91.05460	1.6
93.07025	6.9
95.08611	19.8
97.02363	0.8
97.02888	8.9
97.10188	4.6
99.04453	1.6
99.08129	1.7
101.02359	0.8
103.03943	1.4
105.07056	4.4
107.08594	15.9
109.02895	3.7
109.10156	49.6
111.11721	1.3
117.06985	1.5
119.08568	13.7
121.10140	14.7
123.11703	13.2
125.09621	1.4
127.03896	7.1
127.11189	30.9
129.07008	4.7
131.08571	8.0
133.10107	7.6
135.11720	8.4
137.13304	4.7
141.06953	1.1
141.12790	1.1
142.07939	0.9
143.08575	8.6
145.04933	1.8
145.10106	9.1
147.11688	8.1
149.13257	10.5
155.08562	1.4
157.10132	7.8
159.11694	9.2
159.92494	1.1
161.13232	7.7
163.14792	3.6
169.10146	4.5
171.11691	9.2
173.13242	10.3
175.14838	5.7
177.16370	1.1
183.11740	4.9
185.13243	29.8
186.14163	1.2
187.14821	19.8
189.16441	1.6
195.11632	1.1
197.13286	4.0
199.14870	10.6
201.16469	6.1
202.02827	1.1
203.17992	1.3
209.13336	1.5
211.14850	5.4
213.16470	1.9
215.17987	1.3
217.15900	1.1
219.11951	1.0
223.14841	1.1
225.16420	6.0
226.17294	1.8
226.86768	0.9
227.17937	7.0
237.16357	1.6
239.17949	5.1
251.17923	3.6
253.19513	10.7
262.02725	1.1
267.21198	1.3
278.20264	0.9
279.20972	1.4
281.22781	1.1
286.41678	0.9
293.22552	1.4
294.23499	2.0
295.24319	1.7
403.33682	5.1
421.34622	54.5
421.40100	1.8
439.35742	23.7
466.28934	1.1
547.38373	1.1
565.39166	1.5
583.39905	8.4
601.40979	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10723	3.6
67.05498	26.5
69.03402	7.0
69.07070	19.1
79.05508	5.6
81.07063	44.0
85.02892	19.1
91.05488	6.7
93.07047	18.0
95.08611	63.6
97.02887	11.2
105.07020	26.7
107.08616	38.9
109.10155	100.0
119.08567	42.9
121.10126	30.4
123.11671	18.1
131.08572	10.6
133.10139	28.4
135.11679	9.9
145.10133	59.7
147.11710	21.5
157.10103	19.6
159.11717	31.4
161.13268	18.7
169.10089	6.3
171.11710	18.7
173.13263	25.1
175.14761	33.3
182.10811	4.9
185.13275	19.7
187.14795	18.7
197.13470	5.1
199.14813	8.9
201.16417	71.3
203.17982	11.0
213.16396	6.2
215.17906	10.6
237.16388	5.0
261.07175	5.2
267.21103	10.1
375.25089	7.6
403.33652	52.7
421.34729	52.7
428.43613	5.2
466.02206	5.6
524.28650	5.2
601.26752	6.5
601.40985	68.7
607.19965	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	601.41
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.6
55.05521	5.6
55.89708	3.6
57.07092	6.1
61.02922	7.2
62.54258	4.3
65.03938	4.3
67.05512	21.0
68.18423	4.6
69.03447	4.6
69.07065	31.1
73.02924	5.1
79.05509	8.4
81.03416	8.0
81.07056	40.8
83.08631	16.9
85.02907	72.5
91.05453	4.2
93.07048	33.3
95.08607	56.2
97.02892	28.7
97.10179	6.9
99.04463	5.7
105.07043	21.4
107.08591	51.3
109.02877	9.1
109.10165	90.2
111.08050	6.1
117.07018	5.5
118.69389	5.1
119.08559	35.8
120.94227	4.3
121.10139	45.7
123.11677	9.1
127.03922	27.7
131.08595	19.9
133.10133	30.3
135.08028	8.0
135.11740	9.3
141.59181	4.1
143.08556	8.2
145.04955	5.6
145.10124	28.0
147.11687	19.5
149.13249	9.2
155.08502	4.7
157.10103	19.6
159.11685	33.9
161.13289	21.2
163.14890	7.3
167.07063	6.9
169.10092	7.9
171.11688	26.8
173.13243	32.3
175.14807	15.0
177.16295	4.8
183.11748	18.1
185.13248	26.7
187.14778	24.9
189.16293	5.9
197.13269	18.9
199.14861	18.1
200.88434	4.8
201.16365	8.3
211.14786	8.2
213.16351	10.1
223.14871	4.4
225.16370	17.8
227.17990	8.0
237.16472	6.2
239.17931	25.2
241.19427	5.1
251.18001	4.9
253.19470	17.6
267.21075	7.2
281.22571	19.8
299.23978	7.0
303.74536	4.4
345.31210	5.0
365.28476	8.3
403.33575	29.1
421.34641	100.0
439.35516	35.7
545.34576	6.4
559.30322	5.0
583.39917	17.2
601.33105	5.2
601.41119	80.0
603.33014	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	601.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.05511	7.1
57.07072	1.9
60.88292	1.5
61.02926	8.4
67.05502	10.0
69.03431	17.1
69.07066	13.9
71.04996	2.9
73.02919	2.2
79.05495	10.2
81.03406	4.2
81.07059	37.7
83.04983	1.8
83.08604	3.2
83.62160	1.5
85.02428	2.8
85.02912	52.7
86.27052	1.5
87.04472	2.7
91.05452	8.8
93.07051	24.4
95.04971	1.6
95.08609	56.5
97.02889	23.0
97.10179	7.3
99.04430	2.9
105.07042	25.3
107.08603	42.7
109.02861	7.9
109.10161	51.3
117.06998	2.6
119.08572	35.6
121.10135	42.3
123.11665	12.1
125.09668	2.2
127.03899	14.5
129.06964	3.5
131.08551	14.2
133.10120	30.0
135.11681	18.7
137.13264	6.8
143.08560	15.3
145.04959	3.9
145.10133	26.6
147.11691	28.2
149.13274	9.9
155.08551	2.8
157.10165	18.2
159.11714	24.5
161.13232	39.3
163.14793	7.7
166.95952	1.7
167.45889	1.8
169.10078	12.5
171.11700	22.3
173.13237	26.7
175.14819	17.4
177.12770	1.8
177.16338	9.3
183.11681	10.0
185.13263	16.2
187.14827	21.1
189.16417	8.4
195.11642	6.9
197.13304	13.1
199.14757	14.1
201.16362	26.4
203.17949	9.0
209.13376	2.6
209.54263	1.7
211.14853	11.7
213.16397	11.1
215.17955	11.6
217.15886	10.3
217.19499	7.5
219.17412	2.7
223.14754	3.4
225.16408	10.0
227.17899	17.4
229.19557	7.7
231.17403	1.9
237.16287	2.4
239.17960	13.6
241.19521	4.0
243.17578	2.7
243.21074	6.9
245.18991	7.3
251.17973	7.3
253.19463	12.3
255.20792	1.8
257.11801	2.0
257.18918	7.4
265.19516	2.0
267.20993	8.1
271.20569	3.2
279.21078	2.7
281.22638	2.2
291.21042	1.9
293.22580	7.8
295.24265	3.6
305.22449	3.1
311.23624	8.3
313.25177	3.2
315.36978	1.7
319.24051	1.9
321.26007	1.9
363.30118	2.5
365.28412	3.7
381.31076	2.2
403.33563	34.7
421.28967	3.5
421.34659	100.0
439.35669	25.5
509.98401	1.9
565.39063	5.8
583.39850	32.4
601.31799	3.0
601.40973	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	601.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.4
55.82859	1.9
55.89260	1.8
56.61258	1.8
57.03433	2.2
58.75166	1.9
61.02906	1.8
67.05507	23.3
69.03433	11.4
69.07072	16.1
71.05009	2.8
81.03443	2.2
81.07056	29.2
83.08638	3.9
84.53619	1.9
85.02910	29.2
91.05480	4.8
93.07043	19.5
95.08612	42.2
97.02901	14.0
105.07046	11.6
107.08588	25.8
109.02858	3.1
109.10163	65.9
117.07041	4.7
119.08564	18.6
121.10141	23.6
123.11691	9.0
127.03874	4.3
127.11207	3.1
131.08565	8.8
133.10130	13.2
133.45340	1.9
135.11670	14.9
137.13223	3.3
143.08557	3.5
145.10129	19.7
147.11656	19.3
149.13254	10.0
155.08548	4.5
157.10115	12.3
159.11716	20.4
161.13272	20.0
163.14815	2.4
169.10120	7.9
171.11673	11.5
173.13284	16.5
175.14821	9.8
177.16428	3.6
183.11691	9.0
185.13223	10.7
187.14853	15.8
189.16310	2.7
197.13290	8.1
199.14864	11.0
201.16412	14.4
203.18143	3.3
209.13304	3.4
211.14832	4.6
213.16466	3.3
215.17964	4.7
219.13501	2.3
225.16309	14.1
227.17931	15.5
229.19569	2.3
231.17249	2.3
237.16565	2.9
239.17885	8.1
243.21089	3.5
245.18996	7.6
251.17776	4.3
253.19528	9.6
255.21065	3.9
257.18997	3.1
267.21088	8.8
293.22787	3.2
295.24072	3.2
311.23718	2.7
363.30255	3.1
365.28458	3.3
403.33582	33.1
421.34637	100.0
439.35822	23.2
550.81323	2.1
565.37976	2.9
571.88434	2.1
583.39734	21.3
601.41083	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	601.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17229	1.8
50.43725	1.7
53.23644	1.4
55.05524	3.8
67.05510	29.4
69.03434	3.5
69.07048	4.4
71.04991	3.4
79.05516	3.1
81.07062	21.3
83.08646	3.5
85.02913	17.4
89.35330	1.9
91.05460	2.1
93.07043	11.9
95.08611	28.6
95.25156	2.2
97.02946	2.6
97.10186	2.3
105.07047	11.2
107.08610	25.0
109.06551	2.3
109.10165	100.0
115.32702	1.9
119.08604	18.2
121.10178	21.2
123.11696	8.6
125.09633	3.1
127.03938	2.2
127.11208	7.5
131.08617	7.3
133.10159	13.2
135.11726	10.5
143.08595	3.4
145.10081	17.8
147.11682	14.5
149.13248	4.4
155.33553	2.1
157.10106	3.6
159.11734	14.6
161.13260	9.2
161.49675	1.9
163.14796	2.5
169.10100	8.7
171.11633	14.9
173.13237	14.5
175.14812	10.9
177.16364	2.3
183.11673	3.3
185.13248	8.9
187.14818	12.7
189.16400	2.1
197.13278	3.0
199.14767	4.5
201.16402	13.4
211.14868	3.4
213.16304	3.7
215.17946	3.1
225.16437	2.5
225.71793	2.0
227.17952	9.7
239.17882	3.6
245.19052	2.1
251.17856	2.5
253.19344	4.4
267.21017	10.0
302.66318	2.2
403.33469	12.6
421.34644	56.3
439.35645	21.3
583.39661	12.4
601.40967	37.0
625.93066	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	601.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87457	1.9
53.03928	1.9
55.05520	4.6
57.00117	1.8
57.03442	2.2
57.07089	3.2
60.89401	1.7
61.02925	5.2
61.34856	1.7
61.51663	1.8
62.84805	1.9
67.05513	21.4
69.03426	15.5
69.07086	18.0
79.05503	3.5
81.03430	4.9
81.07079	29.3
83.08611	9.8
85.02917	50.9
87.04473	2.5
91.03853	2.4
91.05496	2.3
92.21502	2.9
93.07044	21.9
95.08611	42.6
97.02896	21.3
99.04412	3.3
103.03968	4.3
105.07030	9.2
107.08595	32.0
109.02931	3.2
109.10167	100.0
111.08141	2.5
119.08582	20.6
121.10163	38.9
123.08035	4.2
123.11720	13.2
127.03943	16.9
131.08559	9.4
133.10126	19.8
135.11716	14.3
143.08533	3.0
145.04984	10.2
145.10138	16.3
147.11687	14.9
149.13254	4.9
154.12234	3.1
157.10130	11.6
159.11685	20.9
161.13234	15.4
169.10164	2.7
171.11682	13.2
173.13271	19.9
175.14870	11.1
177.16367	12.3
183.11722	3.8
185.13269	11.5
187.14847	11.5
189.16376	3.6
195.11687	2.7
197.13307	4.7
199.14813	9.1
201.16400	9.5
211.14801	5.6
213.16347	5.4
215.17950	3.7
227.18050	3.4
233.18942	2.8
239.17938	5.3
241.19527	2.6
253.19490	2.7
261.18652	3.7
267.21075	2.8
281.22595	20.3
293.22656	4.7
295.24307	3.1
299.23694	10.1
311.23810	4.6
325.25058	2.8
365.28314	4.1
383.29578	3.0
403.33655	23.0
421.34677	70.5
439.35730	32.2
461.30112	2.7
545.34711	4.4
583.39722	9.6
601.32697	5.4
601.41022	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	601.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03981	1.1
55.05519	3.0
57.03448	1.5
57.07074	2.1
59.43859	1.2
61.02929	2.0
67.05506	10.5
69.03436	8.6
69.07069	17.8
69.52415	1.4
71.04993	2.0
73.02916	2.6
78.01035	1.4
79.05502	1.6
81.03419	1.7
81.07056	18.4
83.08620	2.7
85.02906	27.4
87.04471	2.7
91.05483	5.4
92.21475	1.9
93.07038	12.1
95.08612	30.1
97.02892	11.5
97.10219	1.5
99.04441	1.5
100.24075	1.2
105.07053	12.4
107.08595	21.9
109.02859	2.3
109.10146	22.8
117.07032	1.9
119.08591	17.5
121.10143	16.3
122.56946	1.4
123.11688	9.7
127.03899	12.0
131.08513	4.4
133.10132	15.1
135.11716	8.5
136.65547	1.3
137.46301	1.3
143.08574	6.6
144.09294	1.6
144.51888	1.3
145.04941	2.2
145.10146	18.9
146.31848	1.6
147.11673	12.8
149.13287	6.9
155.08603	1.6
157.10132	12.6
159.11685	16.4
161.13235	13.1
167.04883	1.3
169.10112	10.7
171.11681	14.9
173.13274	11.0
175.14816	5.0
181.10091	1.3
183.11726	6.2
185.13219	13.7
187.14859	8.7
189.16347	1.7
192.97786	1.3
195.11743	2.6
196.12558	1.7
197.13278	7.5
199.14844	8.1
201.16409	2.8
205.15793	1.4
209.13295	3.0
210.14180	1.6
211.14859	10.8
213.16411	7.2
215.17877	1.8
223.14825	2.3
225.16438	8.7
227.17946	8.4
229.19460	2.1
237.16319	11.4
238.17218	1.5
239.17934	21.4
241.19560	1.5
251.17851	2.7
253.19487	9.4
255.17549	2.4
255.21147	1.7
257.18997	2.3
265.19559	5.3
277.19540	2.6
279.21063	2.6
281.22473	2.9
292.21805	2.8
293.22726	3.1
294.23611	1.4
297.22113	1.7
304.99854	1.3
310.23117	2.0
311.23557	1.5
321.25693	1.4
361.28882	1.9
403.33621	31.9
421.34662	100.0
439.35623	26.1
565.39026	1.8
579.30945	1.4
583.40070	20.3
601.40955	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	601.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39130	0.7
51.83509	0.7
55.05511	4.2
57.03435	1.4
57.07078	1.3
59.03300	0.7
61.02929	1.3
67.05504	7.4
67.48794	0.9
69.03429	8.1
69.07076	11.2
71.04998	13.4
73.02928	0.9
78.22665	0.8
79.05496	2.3
81.03423	2.3
81.07063	16.3
83.08625	9.1
85.02911	21.0
85.06534	1.0
91.05491	2.1
93.07047	12.3
95.04977	0.9
95.08610	29.2
97.02891	6.5
97.10160	1.9
99.04465	1.5
99.08132	1.5
105.07050	8.4
107.08589	19.5
109.10155	37.9
111.11680	1.7
117.07008	1.5
119.08583	16.1
121.10135	26.5
123.11722	13.3
125.09606	2.4
127.03915	4.8
127.11195	40.5
128.06253	1.0
129.06995	1.7
131.08572	11.2
133.10117	13.7
135.11678	14.1
137.13277	6.8
141.12762	4.6
143.08553	7.5
145.04953	1.2
145.10118	14.3
147.11685	10.5
149.13271	10.1
151.14813	1.0
155.08566	1.5
156.09406	1.0
157.10127	8.5
159.11697	15.8
161.13258	14.2
163.14806	4.1
169.10144	7.8
171.11626	13.2
173.13252	17.0
175.14848	8.6
177.16394	3.9
183.11740	9.1
185.13239	27.1
187.14798	15.6
187.16309	1.1
189.16400	4.5
195.11693	1.3
197.13210	9.0
199.14807	10.2
201.12891	1.0
201.16437	8.2
203.14233	1.5
205.15817	1.2
209.13318	2.1
211.14786	8.0
213.16399	6.5
215.17990	1.9
217.15831	1.7
223.14810	1.7
225.16342	11.3
226.17192	1.5
227.17908	11.2
231.17545	1.1
239.17964	9.8
241.19402	1.1
251.18028	2.0
253.19559	13.5
255.21106	1.7
257.18997	1.6
265.19470	1.6
267.21143	5.2
271.20889	1.3
277.19540	1.3
279.21118	2.3
281.22672	1.4
289.12830	1.0
294.23630	2.0
295.24368	1.8
335.27533	1.2
403.33710	7.6
421.34625	100.0
439.35690	40.0
439.41656	1.4
506.25681	1.0
529.36700	1.2
547.37671	1.3
565.38806	5.4
583.39917	9.7
601.40942	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	601.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10299	2.5
55.05527	3.0
55.61751	2.3
61.79125	2.2
67.05505	10.8
69.03433	13.6
69.07067	16.9
69.07395	2.1
73.02910	3.3
79.05495	4.8
81.03442	3.1
81.07058	26.8
85.02905	39.0
91.05489	4.9
93.07043	17.6
95.08620	41.1
97.02876	16.7
103.03919	10.8
105.07034	20.8
107.08611	27.4
109.02847	4.2
109.10143	30.7
119.08561	24.7
121.10139	24.1
123.11736	10.4
127.03915	18.9
131.08583	10.2
133.10144	18.4
135.11713	12.1
143.08623	5.6
145.04965	11.7
145.10114	23.1
147.11690	21.1
155.08577	3.0
157.10188	18.1
159.11679	22.9
161.13184	18.7
163.14760	4.3
169.10118	6.0
171.11682	15.6
173.13254	13.0
175.14806	5.0
183.11693	14.0
185.13274	14.6
187.14847	18.9
189.16379	5.3
195.11778	3.5
197.13306	5.4
199.14841	6.0
201.16432	11.2
209.13193	4.9
211.14748	5.9
213.16341	5.7
223.14792	5.2
225.16341	4.2
227.17897	4.1
237.16295	5.1
239.17967	13.3
245.18947	2.7
251.17920	4.7
253.19504	4.2
265.19403	2.7
267.20950	3.7
293.77570	2.5
403.33496	31.6
421.34647	93.8
439.35730	18.2
583.39532	24.9
601.41071	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60143	3.9
54.60464	3.9
55.05518	4.9
57.07071	25.6
57.65013	4.4
67.05507	20.8
69.03458	5.1
69.07053	8.2
75.85658	4.8
79.05489	9.7
79.55723	4.7
81.03425	4.6
81.07050	30.1
88.07635	21.6
91.05449	16.5
92.21521	10.1
93.07044	27.8
95.04971	6.7
95.08606	21.2
97.06525	9.3
100.40044	5.6
105.07018	34.5
107.08606	34.2
109.06509	9.0
109.10166	19.1
111.08057	5.8
119.08615	46.4
120.08956	8.1
121.10138	32.9
122.08129	7.1
122.10480	5.3
123.08085	8.5
125.06037	6.6
131.08580	27.7
133.10139	26.3
135.08083	5.9
135.11705	9.7
137.09622	10.2
143.08606	11.1
145.10114	45.6
146.10442	5.5
147.08063	29.9
147.11710	5.3
149.09636	11.0
155.08530	5.9
157.10098	28.0
158.10588	5.1
159.11710	21.9
160.08804	7.5
161.09346	6.8
161.13242	6.2
162.71605	5.6
163.11215	11.6
165.09093	38.2
166.09384	7.0
166.21422	5.3
169.10011	6.3
170.10480	5.5
171.11615	10.4
173.13304	10.9
174.13583	5.4
177.12735	4.8
179.14297	5.5
181.12256	11.2
182.10875	4.8
183.11681	10.9
185.13287	12.1
187.11139	7.3
189.12689	6.1
193.12256	7.0
197.13345	8.6
203.14384	9.6
207.11777	6.5
207.13739	9.3
209.13246	7.7
221.15352	45.6
222.15717	10.1
242.24823	26.5
256.26331	100.0
262.36325	6.0
286.19089	8.1
287.19864	6.3
290.26953	34.7
300.20157	6.8
352.23834	8.4
353.24405	21.1
427.19974	7.8
441.29773	20.7
485.24857	7.0
520.35504	9.6
521.35736	42.9
583.41174	12.1
601.26044	67.3
601.41675	90.0
601.51239	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	603.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85901	1.1
53.03955	12.0
55.01874	2.1
55.05517	3.1
57.03464	1.5
65.81630	1.2
67.05502	8.0
69.03439	15.3
69.07058	6.4
71.04986	3.7
73.02924	2.7
79.81533	1.3
81.03428	32.5
81.07069	10.1
83.05004	14.0
83.08623	3.7
85.02424	2.5
85.02910	45.8
87.00826	25.5
93.07011	1.8
95.08593	25.6
97.02895	42.1
99.04458	24.5
99.08114	3.7
103.03938	8.4
105.01875	20.3
107.08596	15.2
107.32979	1.5
109.02885	95.8
109.06533	10.2
109.10161	85.1
119.08574	19.0
121.10122	11.7
123.08057	11.2
123.11681	6.7
127.03916	98.6
129.01857	6.4
133.10129	16.3
135.11700	82.1
137.09628	13.7
145.04962	18.4
147.02892	3.6
149.13231	8.6
151.11153	6.6
151.14833	14.2
158.64752	1.6
159.02866	16.1
159.48561	1.5
163.06046	2.0
165.16322	2.4
169.05109	1.7
175.14810	32.0
187.05934	2.0
193.15862	42.2
200.55107	1.6
211.16928	100.0
213.03940	13.9
231.05013	24.5
249.06041	11.8
288.92877	1.6
291.07004	3.8
339.07956	1.5
353.49231	1.5
357.08130	3.5
375.09198	9.4
393.10269	11.5
603.26788	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	603.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65286	3.0
55.05515	4.7
57.14483	3.5
61.02934	3.8
61.72446	3.1
67.05505	28.8
69.03432	6.4
69.07067	17.6
79.05521	5.2
81.03425	4.0
81.07066	73.2
83.08621	15.7
84.70960	3.7
84.79112	3.8
85.02915	53.2
86.40302	4.0
91.05458	7.5
93.07060	34.6
95.08617	82.0
97.02898	15.9
97.10188	6.7
103.68345	3.6
105.07033	25.5
107.08597	66.4
109.02855	5.7
109.10165	74.2
118.59091	3.9
119.08601	49.1
121.10137	65.4
123.11703	32.1
127.03915	14.0
127.30431	3.3
131.08554	6.1
133.10133	36.8
135.11696	33.1
137.13257	9.5
144.98320	3.7
145.04958	5.7
145.10101	34.5
147.11694	40.2
149.13300	26.7
157.10146	6.4
159.11644	43.4
161.13231	43.4
163.14854	16.7
167.07024	23.7
169.10272	4.0
171.11694	25.4
173.13251	32.0
175.14828	25.4
177.16422	16.6
185.13358	7.1
187.14818	26.6
189.16273	8.1
199.14838	17.9
201.16411	19.2
213.16386	16.5
215.17964	7.5
217.19615	6.5
227.17998	15.9
229.19461	38.7
241.19536	26.6
245.19151	5.2
247.20442	29.0
255.21004	8.6
257.22745	4.3
259.20474	8.8
269.22656	8.3
281.22748	6.7
297.25720	7.2
358.11395	5.1
396.49295	4.2
405.35101	52.3
423.36252	100.0
441.37396	30.1
567.39667	7.8
585.40948	25.7
603.42273	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	603.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95502	3.0
55.05517	6.9
57.03434	4.8
61.02939	3.8
64.35624	2.9
66.73473	3.2
67.05499	22.9
69.03429	8.1
69.07066	20.6
78.97192	3.1
79.05481	4.2
81.03428	4.4
81.07069	47.9
83.05025	4.0
83.08594	7.2
85.02911	42.3
89.18101	3.3
90.39544	3.0
91.05478	5.9
93.07056	36.1
95.04977	3.6
95.08611	75.5
96.62772	3.3
97.02886	18.9
97.10154	7.0
99.10429	3.3
104.12388	3.0
105.07058	29.8
107.08602	65.1
108.82461	2.9
109.02883	6.0
109.10168	67.9
113.79359	3.2
117.06998	4.8
119.08583	36.7
121.10156	58.1
123.11719	27.8
127.03935	13.6
131.08556	7.8
133.10109	29.7
135.11697	33.0
137.13278	13.8
143.08583	5.9
145.04927	4.4
145.10167	34.9
147.11722	37.6
149.13290	25.8
152.04733	3.3
157.10181	14.7
159.11700	31.0
161.13295	32.9
163.14836	18.6
167.07030	29.9
171.11690	20.4
173.13290	34.4
175.14830	24.6
177.16391	17.1
183.11714	3.7
185.13252	8.4
187.14786	30.3
189.16483	7.6
197.13191	3.4
199.14772	5.8
201.16367	23.8
203.17960	3.7
205.15918	3.7
213.16457	17.8
215.17949	7.8
227.17973	13.5
229.19545	33.2
236.29376	4.0
239.17734	4.0
241.19431	26.5
247.20616	30.2
255.21100	5.1
259.20541	17.0
267.21140	4.8
283.24274	3.9
297.25824	5.0
304.97870	3.3
367.30026	3.9
391.11789	4.3
405.35223	45.3
421.14047	4.7
423.36285	100.0
441.37424	26.0
450.63809	3.8
585.41370	22.7
600.95337	4.4
602.95587	4.2
603.42316	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	603.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	21.3
65.09412	14.8
67.05504	62.5
68.11351	14.5
69.07053	65.7
70.81025	15.1
81.07055	70.6
85.02895	24.1
91.05490	26.9
91.64310	17.1
93.07048	66.3
95.08613	69.4
97.10135	23.1
105.07050	66.5
107.08610	25.2
109.01412	16.1
109.10165	61.4
119.08616	69.3
121.10187	22.9
133.10115	40.7
135.11636	18.0
137.92566	17.2
145.10129	20.2
147.11722	22.7
149.13318	17.3
153.38080	15.4
157.10091	20.4
159.11717	28.0
163.11293	18.6
233.80038	19.0
273.94431	19.1
275.20023	96.3
293.21130	31.3
297.60663	20.0
309.77377	17.3
585.41022	38.9
603.17999	30.4
603.33795	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	603.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.9
61.02914	1.6
67.04765	1.9
67.05498	6.8
69.03420	8.4
69.07072	16.4
72.16685	1.4
78.11200	1.5
81.03425	1.6
81.07066	17.0
83.08633	6.7
85.02909	24.4
93.07022	16.3
95.08600	24.0
97.02880	9.8
97.10159	2.7
105.07027	12.6
107.08604	21.7
109.10168	21.3
111.11760	2.9
119.01455	1.7
119.08569	18.0
121.10126	22.5
123.11720	11.7
127.03933	3.9
131.08560	3.6
133.10141	9.6
135.11699	17.7
143.08524	4.1
145.10107	12.8
147.11679	15.7
149.13295	3.6
157.10115	8.2
159.11665	15.0
161.13268	14.9
163.14786	2.4
169.10094	3.2
169.91347	1.7
171.11693	8.6
173.13243	14.2
175.14836	7.1
185.13202	9.9
187.14865	7.9
189.16379	3.1
194.13007	1.7
197.13239	6.1
199.14789	6.2
201.16402	6.7
203.17966	1.8
211.14830	2.7
213.16330	7.7
215.17978	7.5
227.17981	8.3
229.19604	2.4
239.17984	7.6
241.19521	9.0
269.22479	2.5
279.20798	2.0
281.22659	2.3
283.24115	2.3
299.61026	1.6
393.34900	3.7
405.35187	25.1
423.36182	100.0
441.37134	9.4
585.41492	14.1
603.33899	2.9
603.42615	44.3
617.44952	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	604.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02732	1.2
54.32142	1.1
55.01880	1.8
57.03437	10.6
58.29290	1.5
59.04976	2.0
59.77462	1.2
61.02931	15.1
67.72839	1.4
69.03436	53.3
73.02907	8.2
81.03428	6.7
85.02910	100.0
87.04478	50.4
91.03955	19.9
92.21082	3.0
97.02895	82.0
99.04435	6.2
103.04023	2.4
109.02882	7.5
115.03928	82.1
127.03911	33.6
133.04967	43.8
137.35899	1.5
139.03908	1.8
145.04955	41.7
163.05995	25.8
177.05435	1.7
187.05901	1.6
217.15852	37.8
235.16945	20.3
259.08099	10.2
277.09149	3.3
293.19617	19.3
295.10251	41.7
325.11224	12.6
604.23096	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	604.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	0.7
55.01879	1.0
56.29441	0.5
57.03447	10.1
59.05001	1.3
60.86199	0.5
61.02937	4.8
61.57400	0.6
63.69793	0.5
69.03434	43.5
70.06594	0.8
71.05004	1.2
73.02912	3.9
75.04474	1.0
81.03440	5.2
83.04974	0.9
84.08139	1.0
85.02910	100.0
86.09709	1.3
87.04471	42.7
91.03958	5.0
92.21127	1.3
97.02895	67.2
99.04460	6.5
103.03912	2.4
109.02876	6.9
111.04382	0.8
115.03930	66.2
123.04427	0.9
127.03912	26.9
133.04970	46.6
139.03947	0.8
145.02945	1.0
145.04956	36.8
150.07626	1.2
163.06003	13.2
169.04947	0.9
177.05440	5.2
191.84656	0.7
223.06061	0.8
229.07144	0.8
241.07047	3.9
259.08151	13.2
263.18582	1.6
277.09204	2.5
293.19562	9.9
295.07089	0.9
295.10272	19.4
325.11261	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	604.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	1.2
53.03937	1.1
55.01881	4.2
56.88627	0.9
57.03443	14.4
59.05010	4.2
61.02935	6.3
68.17949	0.8
69.03434	54.5
70.06605	7.0
71.04992	1.8
73.02924	12.7
75.04469	1.4
81.03419	5.8
84.08114	1.2
85.02911	100.0
86.09715	4.5
87.04476	47.1
87.70544	1.1
91.03963	5.0
97.02896	87.6
99.04446	6.3
103.03934	5.3
108.04918	0.9
109.02874	6.9
111.04460	1.8
115.03931	79.4
118.92196	1.0
127.03921	30.1
133.04967	64.7
133.10112	1.6
139.03967	1.0
143.03482	1.1
145.04964	34.1
163.06015	12.3
169.04927	2.0
177.05466	1.9
187.05992	1.5
193.05037	1.8
223.05908	1.2
238.19495	1.1
241.06998	4.2
245.82513	1.1
259.08148	17.4
263.18530	1.9
277.09195	7.0
293.19659	10.7
295.10211	31.0
311.62341	1.1
318.10101	1.1
325.11206	7.4
394.27725	1.0
570.91479	1.0
587.83850	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	604.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.4
57.03451	16.6
59.05006	3.4
61.02925	7.2
67.05508	2.9
69.03436	76.2
71.04988	2.1
73.02903	1.8
73.17307	1.4
73.69653	1.5
75.04482	2.0
81.03426	11.8
81.07064	10.9
85.02911	79.5
87.04472	72.3
91.03952	6.9
91.05487	7.4
93.07104	1.9
95.08624	2.4
97.02892	92.6
99.04449	1.9
102.94971	1.4
105.07039	7.8
107.08598	5.8
109.02874	8.8
115.03929	100.0
116.77356	1.3
119.04952	17.6
119.08627	2.5
121.10162	8.0
123.11720	11.7
127.03928	23.5
133.04974	75.6
137.05980	91.0
139.03850	1.3
145.04942	22.8
147.04408	58.0
147.11693	25.4
151.07581	1.9
151.81419	1.5
163.06013	9.5
165.12744	12.8
179.07021	33.9
193.12332	2.0
197.08119	12.2
229.14310	12.3
241.06981	1.7
259.08105	15.9
277.09134	7.8
293.19656	11.7
295.10245	44.8
301.07062	2.4
319.15323	3.2
325.11386	5.6
337.16418	18.6
355.17661	10.8
373.18570	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	604.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.0
55.01875	1.2
57.03444	9.2
61.02925	4.5
65.25819	0.9
69.03436	35.7
69.07088	1.2
70.60522	1.0
73.02911	1.5
74.19821	0.9
81.03432	5.0
85.02911	100.0
87.04475	38.4
91.03951	4.5
94.24075	1.0
95.08585	0.9
96.08138	2.2
96.24363	1.1
97.02893	49.9
99.04475	7.8
103.03985	1.7
109.02876	10.4
109.10183	5.3
110.10544	1.6
114.09164	10.5
115.03934	57.9
119.95843	0.9
125.31023	1.0
127.03928	27.1
133.04979	36.9
135.11737	1.3
136.12079	1.4
137.05962	1.9
145.04973	38.8
147.04404	1.7
155.78416	1.2
163.06033	13.7
169.05016	1.8
169.90405	1.1
193.04933	1.1
209.16515	1.4
211.16940	4.4
212.17307	4.2
226.19246	1.2
228.15993	2.0
241.07048	1.5
259.08130	5.8
263.03949	1.0
263.18552	1.0
277.09201	1.3
293.19604	21.0
295.10217	13.4
325.11295	11.0
358.00336	1.0
377.70581	1.1
397.61990	1.1
469.10379	1.2
604.32922	1.2
608.93665	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	605.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
65.19041	1.0
86.53878	1.0
89.76315	1.2
92.20968	1.3
95.08621	1.1
101.15621	1.0
111.14838	1.1
163.82047	0.9
194.08582	1.1
303.34412	0.9
308.19620	1.0
429.20721	4.3
430.21576	1.8
443.22174	2.1
444.23132	10.9
456.19183	1.4
457.24051	5.1
458.24854	14.0
459.21793	6.6
470.20740	1.5
471.21600	1.3
472.22522	16.2
473.23465	1.8
485.23456	23.5
486.24231	6.2
500.22345	2.2
502.23587	1.3
503.24707	2.2
513.22906	4.4
517.25928	16.0
545.25464	70.1
573.25055	17.2
587.47113	1.3
605.27637	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	0.8
81.07047	1.0
90.65427	0.6
95.08605	0.8
102.99283	0.7
112.16075	0.7
133.78664	0.8
142.21367	0.7
151.01112	0.7
180.52661	0.7
195.92471	0.8
232.92290	0.7
393.98160	0.7
429.20618	4.8
430.21844	3.7
443.22537	3.5
444.23166	9.4
457.24640	6.2
458.24857	14.5
459.21475	7.8
470.20755	1.0
471.22348	1.4
472.22635	14.2
473.23242	3.4
476.22061	2.7
480.42590	0.8
484.18829	0.8
485.23447	29.5
486.19232	0.8
486.25284	6.2
488.22021	2.6
490.23743	1.0
499.20743	1.4
500.22092	3.4
503.24387	3.2
513.23096	3.7
514.23615	0.8
517.26080	15.1
545.18646	1.4
545.25494	79.0
573.24908	14.4
605.27625	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	605.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
71.68995	0.4
77.25687	0.4
103.04705	0.4
112.42108	0.3
123.72179	0.4
184.59500	0.4
404.21582	0.5
406.76672	0.4
415.19308	0.6
428.19894	0.6
429.16620	0.3
429.20911	5.0
430.21671	3.0
442.21484	0.5
443.22275	3.5
444.23151	11.1
456.19449	2.4
457.24423	7.8
458.24844	17.6
459.21710	10.9
460.22470	0.7
470.20779	2.7
471.21759	2.3
472.22568	15.6
473.23325	4.6
476.21826	2.1
484.18500	0.6
485.23434	28.4
486.24057	6.4
487.25793	0.7
488.21942	0.8
490.24286	0.7
498.21024	0.8
499.21158	2.3
500.22223	4.2
502.23566	1.9
503.24573	3.7
504.21976	0.5
513.22717	5.9
514.23730	1.5
517.26050	18.4
529.25867	1.6
530.23114	0.6
545.25476	80.2
558.22833	0.5
573.24994	16.4
605.27606	100.0
608.65302	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	605.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28871	0.3
55.76737	0.3
58.70188	0.3
83.03584	0.4
129.76024	0.3
167.37729	0.3
197.25613	0.5
205.57007	0.4
415.19409	1.9
428.20184	0.5
429.20673	5.4
430.21643	3.3
442.21808	0.7
443.22452	3.7
444.23004	10.9
456.19879	1.6
457.24716	5.6
458.24826	17.4
459.21667	9.2
460.22983	0.7
470.21112	2.6
471.22098	1.6
472.22562	15.9
473.23505	4.7
476.21902	2.2
485.23456	25.4
486.25259	6.3
487.25491	0.5
488.22351	1.5
498.20566	0.5
499.21329	2.2
500.22333	2.7
502.23709	2.4
503.24438	3.1
505.92023	0.5
513.22882	4.2
514.23810	1.6
517.19568	0.5
517.25970	14.8
525.36053	0.4
527.24036	0.5
529.25977	1.6
530.22882	0.7
545.25494	72.5
573.24908	12.6
605.27594	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26117	1.4
56.20765	1.5
56.52297	1.6
62.58276	1.5
67.05499	2.2
81.07064	1.9
117.11793	1.6
163.22900	1.8
196.23712	1.8
269.78729	1.8
429.21008	4.0
430.21677	3.0
444.23297	9.5
457.24185	7.1
458.24908	19.4
459.21951	7.1
472.22516	12.9
473.23544	3.8
485.23404	25.2
486.24265	8.6
499.21606	2.8
513.23157	2.7
517.26086	21.5
545.25513	77.5
545.33539	3.1
573.24927	12.2
605.27667	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22337	0.9
63.92898	0.9
72.52162	1.0
84.14766	1.1
90.83981	1.0
92.21004	1.4
93.07054	1.1
97.71535	1.1
132.88985	1.0
154.00006	1.2
220.59294	1.1
238.46146	1.1
284.81622	1.2
415.19418	1.4
429.20886	5.9
442.22003	1.3
443.22485	5.0
444.23248	11.3
457.24228	5.3
458.25034	18.3
459.21716	8.0
472.22614	15.9
473.23401	4.1
476.22723	1.2
484.78516	1.2
485.23489	28.2
486.25037	7.6
488.22467	1.5
499.20871	1.2
500.21973	2.2
502.23593	2.0
503.24731	2.1
513.23260	7.3
517.26068	19.7
545.18463	1.2
545.25500	83.6
573.25116	14.0
605.27631	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42242	2.1
54.00767	1.8
55.05515	4.7
57.03442	4.4
57.07071	1.9
67.05503	5.0
69.03424	2.9
69.07071	9.4
69.08109	2.0
71.04984	26.0
73.02911	15.5
73.06562	2.4
79.05489	2.4
79.48361	2.2
80.33376	2.0
81.07060	10.1
83.04949	2.2
83.08630	8.4
85.02953	1.8
85.06532	8.5
86.02292	2.2
91.05491	2.9
93.07074	4.4
95.08598	18.5
97.10163	10.9
99.08127	2.5
105.07033	3.5
107.08599	43.2
109.10158	46.8
109.88074	1.8
119.08583	16.9
121.10123	18.2
123.11691	28.5
125.09628	50.3
127.11179	28.6
131.08572	7.8
133.10127	12.9
135.11702	8.6
137.13206	3.0
141.12723	11.8
143.08632	3.1
143.10672	100.0
145.10129	12.9
147.11699	18.7
149.13269	10.1
151.11261	2.2
157.10066	4.9
159.11684	10.4
161.09561	2.6
161.13214	10.9
163.11111	4.1
169.10252	2.5
171.11624	10.8
173.13278	12.9
175.14737	4.1
183.11626	2.6
185.13214	16.0
187.11211	2.5
187.14857	8.2
189.12831	2.5
189.16350	2.4
190.18256	2.4
197.13254	4.0
199.14841	7.4
201.12701	14.5
201.16425	4.7
203.14330	9.0
209.13147	3.2
211.14777	3.1
213.16325	2.5
215.18054	3.5
223.14705	3.4
227.17802	2.5
253.19357	3.1
297.22275	3.1
322.33569	2.3
419.32971	24.5
437.34183	64.0
455.35239	52.7
473.36151	23.0
587.39575	26.6
605.40552	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	605.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.1
57.07069	2.0
59.01355	1.4
59.43600	1.3
64.50446	1.4
67.36014	1.7
67.54781	1.8
69.03436	2.1
71.04994	18.4
71.68884	1.6
73.02906	8.8
73.06577	2.2
78.80332	1.5
81.07053	7.8
83.01113	1.5
83.04976	2.6
83.08624	6.2
83.25005	1.5
85.06547	12.6
88.92204	1.5
93.07046	2.1
95.08604	9.3
97.10169	8.4
105.07038	4.1
107.08592	29.4
109.10162	17.1
119.08617	6.8
121.10173	8.9
123.11698	19.6
125.09622	50.2
127.11188	6.4
131.08524	2.2
132.88370	1.5
133.10138	7.2
135.11659	2.6
136.36118	1.8
141.12732	3.8
143.10678	100.0
145.10141	3.0
147.11679	8.0
149.13251	1.8
157.10141	3.9
159.11673	3.7
161.13257	7.8
171.11697	8.0
173.13255	4.1
183.11771	1.8
185.13234	8.3
187.14824	7.2
197.13313	2.6
199.14890	2.3
201.16513	2.5
211.14830	2.5
213.16476	2.1
215.17950	3.2
237.16429	2.4
251.17851	2.6
279.21011	3.0
310.40329	1.8
419.33115	16.2
437.34061	28.8
455.35223	15.0
473.36047	3.8
569.38708	2.4
587.39276	12.3
605.40784	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	605.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81282	3.7
56.08636	4.3
57.03428	18.1
59.87504	4.3
62.34766	4.3
62.66442	4.1
69.03423	9.1
69.07053	5.7
70.06602	7.0
71.04996	12.1
73.02909	28.2
76.05114	6.2
79.05464	6.9
81.07067	23.2
83.08619	7.5
85.02911	5.7
89.53076	5.9
91.05470	5.6
93.07043	20.6
95.08599	27.9
97.02870	10.7
105.07052	19.9
107.08593	39.2
109.10137	69.3
119.08589	27.0
121.10137	12.3
123.11736	51.0
125.09615	37.6
127.11178	21.8
129.07108	7.5
131.08618	9.8
133.10123	11.3
135.11684	11.8
141.12744	7.1
143.08562	25.6
143.10635	43.3
145.10133	20.9
147.11674	31.5
149.13242	11.0
151.11255	6.4
154.90520	4.8
157.10129	19.3
159.11656	8.9
161.13260	21.6
171.11687	22.9
173.13263	22.1
175.14804	6.2
183.11578	9.5
185.13278	42.4
187.14862	22.7
197.13266	6.6
199.14851	6.0
201.16202	5.2
227.18010	6.8
239.17926	5.5
240.04979	6.0
253.19485	11.8
265.19629	6.6
267.71341	4.9
295.24652	5.3
297.07590	21.4
375.72275	6.0
401.31879	6.9
419.33139	51.5
437.34167	100.0
455.34967	60.2
473.36017	11.1
483.10046	6.8
523.39716	7.3
569.38220	9.2
587.39142	27.2
605.39624	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	605.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05329	1.5
55.05528	23.0
57.03434	4.6
57.07091	15.7
63.71692	2.0
67.05510	23.8
69.07059	11.7
71.04990	2.5
71.08636	15.2
79.05496	33.0
81.07073	21.5
83.04985	12.8
83.08623	10.0
85.10178	8.8
91.05489	15.3
93.07048	25.7
95.08617	18.0
97.10175	9.3
99.85896	2.0
105.07025	19.7
107.04952	8.8
107.08601	33.5
109.10173	20.9
111.08099	2.8
117.07000	5.0
119.08585	17.8
121.10139	11.6
125.09680	4.7
131.08591	11.5
133.10133	18.5
135.08080	3.6
144.64078	2.1
145.10104	9.1
147.11684	10.8
149.09639	34.6
159.11678	4.8
173.13269	4.5
189.11311	3.6
209.15395	4.2
219.17500	17.3
227.12784	5.1
257.18958	2.9
275.20078	31.4
313.27380	35.1
329.87903	2.1
349.23813	26.6
587.46704	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64133	0.8
54.14911	0.7
56.48756	0.6
59.47051	0.7
63.30269	0.7
63.41264	0.7
81.28006	0.8
93.07072	0.8
95.08628	1.0
115.97127	0.8
156.88673	0.8
167.10690	0.9
433.23749	1.1
446.20523	2.9
459.22171	1.6
460.22473	3.6
473.23300	3.9
474.20139	8.3
475.21005	17.6
483.21960	3.7
485.23511	1.8
486.20432	1.9
487.21402	8.6
498.20502	1.2
501.22974	13.1
502.20126	5.3
502.23602	5.7
503.20886	5.2
513.22925	4.9
514.19733	1.1
519.24133	4.0
529.22467	5.2
534.22870	1.1
547.23315	21.3
575.23065	4.7
589.24573	1.5
607.25537	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70905	0.5
67.05493	0.6
67.60010	0.5
79.05492	0.6
81.07040	0.7
90.82178	0.5
93.07077	1.0
95.08630	1.1
121.10129	0.7
149.45146	0.5
172.61041	0.5
186.79436	0.5
345.13568	0.5
365.73425	0.5
399.17197	0.5
419.22275	3.6
431.18356	1.9
432.20007	0.9
433.20175	1.9
445.20276	2.8
446.20822	7.6
447.21765	12.9
459.17657	0.8
463.24832	1.1
463.65964	0.5
473.19000	0.7
474.20401	15.2
475.21045	15.0
476.22000	0.9
477.22607	0.8
487.21332	3.8
490.23456	1.1
491.20798	2.5
501.22836	2.4
504.21667	0.9
506.22595	0.6
519.23950	18.7
532.21277	0.9
547.23352	58.4
548.23242	0.6
579.26324	5.0
607.25458	100.0
608.82568	0.6
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	Unknow
Peak:m/z	Relative Intensity
50.86059	0.6
93.63234	0.7
147.41899	0.6
233.26775	0.9
412.76862	0.9
419.22171	4.4
431.18549	1.1
432.19196	1.5
433.20178	2.5
445.20468	4.6
446.21030	10.0
447.21628	11.9
459.22232	2.7
461.19638	1.3
473.23560	1.2
474.20483	10.0
475.20963	7.9
487.21417	1.3
491.20786	4.3
501.22772	1.5
505.22266	1.3
506.23083	1.3
519.24078	30.5
547.23376	23.8
562.22162	0.9
579.26007	8.1
607.25488	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19037	0.5
51.67178	0.5
61.12645	0.5
63.37474	0.4
65.60011	0.4
80.78085	0.5
82.46647	0.5
100.58136	0.5
115.92626	0.6
127.88788	0.5
195.33632	0.6
388.86295	0.6
431.22278	1.0
433.24097	0.7
446.25238	4.7
447.21567	0.8
448.14880	0.6
458.24905	0.7
460.22714	3.3
461.23291	0.7
463.21487	0.9
474.24200	5.2
475.20984	24.5
477.22794	0.9
478.23657	0.7
487.21246	8.1
489.22821	0.8
491.25070	0.9
492.25400	1.1
501.22894	9.4
502.23758	11.2
503.24536	1.0
506.23151	0.9
519.24274	4.3
534.22559	0.9
547.23328	28.3
548.24463	3.2
607.25494	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	607.291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02238	0.3
56.15364	0.4
56.63361	0.3
59.43750	0.3
142.66873	0.4
157.10384	0.4
366.80109	0.4
431.18320	3.0
433.23962	7.3
434.24835	0.5
445.20273	2.1
446.20822	3.7
447.21606	3.7
459.21231	4.1
460.22449	22.0
461.23282	22.6
462.23987	0.7
473.23532	3.8
474.24002	2.0
477.22717	0.8
487.24982	2.9
488.25690	0.6
492.25208	1.5
505.21411	2.9
506.26904	0.5
515.24390	0.5
518.22687	0.5
519.28857	2.8
532.24390	2.0
533.26233	0.6
547.27020	69.3
548.27405	1.8
575.26398	0.7
579.29999	0.6
607.29120	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
61.07070	0.4
76.16601	0.4
84.94827	0.5
122.74361	0.6
123.93861	0.4
216.96690	0.5
225.88464	0.5
295.97946	0.5
384.78503	0.5
431.18872	2.3
433.24313	4.5
434.24469	0.9
445.20239	1.9
446.20438	3.2
447.21716	3.6
459.21390	4.0
460.22446	17.4
461.23404	18.4
462.23849	0.5
473.22992	4.1
474.24506	0.9
487.25034	3.2
491.20773	0.5
492.25076	1.8
505.21555	4.8
519.24097	3.7
532.24341	1.0
533.25580	0.5
547.27075	53.5
548.27606	2.4
575.27155	1.9
579.29797	0.7
590.84686	0.6
607.29187	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05527	0.9
70.75993	0.8
81.07032	1.0
95.08604	1.3
110.64252	0.9
124.75513	0.8
125.65696	0.9
161.13338	0.8
186.07550	0.9
263.79208	1.1
431.18710	1.9
433.23740	4.5
445.19861	1.9
446.20892	7.2
447.21530	10.4
459.21640	4.9
460.22559	17.7
461.23395	16.8
473.23630	1.4
474.19873	1.4
475.21310	1.8
487.25156	1.3
505.22339	4.9
519.23492	11.7
547.27271	49.4
575.26068	1.9
579.26453	1.7
607.29315	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30981	1.1
55.05521	6.1
56.33563	1.1
57.01133	1.1
57.03431	1.6
57.07056	1.3
67.05517	14.5
69.07083	5.7
70.66808	1.1
79.05492	8.9
81.07069	14.6
83.08644	2.7
91.05484	5.2
91.56967	1.1
93.07068	11.3
95.08605	11.5
97.10162	4.5
105.07047	6.2
107.08600	7.6
109.10189	4.7
117.07020	4.9
119.08592	9.0
121.10152	6.0
125.09612	1.9
129.07016	4.7
131.08591	5.1
133.10147	6.6
135.11714	4.5
143.08582	6.3
145.10184	5.6
147.11714	1.4
155.08539	1.7
157.10162	6.2
159.11699	5.8
167.08540	2.6
169.10138	7.7
171.11710	6.0
173.13293	1.6
181.10274	3.6
183.11719	6.2
185.13304	4.7
193.10165	2.3
195.11708	7.3
197.13290	4.9
199.14952	1.6
205.94255	1.3
207.11732	4.5
209.13301	5.5
211.14845	2.7
212.39772	1.3
213.16426	2.2
221.13271	2.2
223.14795	6.1
225.16452	2.3
235.14822	2.4
237.16408	2.2
247.14877	1.6
249.16566	2.3
271.07501	1.3
347.23441	1.2
349.25427	1.9
386.89969	1.2
445.30600	1.6
490.98682	1.5
515.38867	2.8
546.11633	1.4
589.42456	5.0
606.99756	1.3
607.43567	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	609.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03955	0.5
66.65056	0.4
72.90552	0.5
74.06065	0.7
77.31531	0.4
80.75329	0.4
86.81625	0.5
89.03892	1.1
95.08560	0.5
97.02896	15.0
105.28413	0.5
117.03374	7.8
121.02853	0.7
135.04436	0.6
145.02852	56.9
147.04382	1.2
149.05972	3.0
157.06459	0.7
161.05917	0.5
167.03362	2.2
167.35266	0.5
177.05464	100.0
188.42343	0.6
188.44028	0.5
189.05473	8.8
189.08984	0.8
199.07430	0.8
207.06476	0.9
215.07091	0.9
217.08430	0.8
245.08025	0.6
252.08301	0.5
273.07462	3.8
291.08685	1.1
301.07062	85.5
309.09729	1.2
343.08112	2.8
609.24475	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	609.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17138	0.1
65.03926	0.2
65.29166	0.2
66.54873	0.2
69.03413	0.8
69.03760	0.2
80.75866	0.2
81.03438	3.0
85.02904	1.0
90.97137	0.2
91.05507	3.0
92.21268	0.3
99.04424	0.2
109.02895	1.4
119.04943	10.5
147.04411	100.0
165.05482	2.6
169.26793	0.2
285.07489	0.3
291.08655	3.4
301.07062	24.2
309.09662	3.3
310.72061	0.2
334.53540	0.2
405.29773	0.2
406.49771	0.2
613.49652	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	609.16
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57625	0.6
65.03931	4.8
67.05510	1.3
80.44455	0.8
89.03914	1.2
93.03397	8.6
94.36111	0.7
97.02892	71.9
99.46378	0.8
107.58727	0.7
110.03649	0.9
117.03387	8.7
119.70197	0.7
121.02861	4.0
124.05260	0.8
125.02332	0.9
125.05998	0.8
127.43235	0.7
129.07008	4.2
131.66025	0.6
139.03905	0.8
141.06966	0.9
145.02841	54.7
149.02316	11.8
149.05951	3.6
151.03928	3.1
157.06456	10.0
167.03395	33.9
167.04790	2.0
169.06496	3.1
177.05455	100.0
185.05983	3.4
187.07803	0.8
189.05522	1.1
189.09103	12.3
199.07526	9.5
207.06557	1.2
213.05420	0.9
215.07036	1.0
217.08548	11.5
227.07011	8.4
245.08054	10.2
273.07608	1.6
291.08600	30.2
301.07053	59.4
309.09665	3.6
343.08066	7.9
459.08710	0.8
477.74390	0.8
513.66144	0.9
540.23242	1.0
543.72247	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	609.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78561	0.5
60.52478	0.4
69.03418	0.5
81.03410	1.9
85.02903	0.8
91.05489	4.6
96.02349	0.5
107.62980	0.4
109.02877	0.6
112.01365	0.5
119.04935	16.4
121.47672	0.4
147.04410	100.0
153.02689	0.4
156.38582	0.4
167.03441	0.5
265.83777	0.4
291.08578	1.1
301.07068	64.9
337.12122	0.5
358.47903	0.5
368.72800	0.5
384.66296	0.5
464.26352	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	609.1814
Annotation	Diosmin 
Peak:m/z	Relative Intensity
52.78326	0.3
57.03442	0.7
57.79813	0.3
61.80124	0.3
69.03427	0.6
69.07079	0.4
71.05001	6.6
76.80396	0.3
81.03424	0.3
81.07045	0.5
85.02431	0.6
85.02912	9.8
97.02893	0.8
129.05461	0.6
203.08090	0.4
216.06569	0.6
301.07062	100.0
374.28171	0.4
392.46930	0.4
463.12369	3.5
546.71887	0.4
600.25317	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	609.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70097	0.2
52.55096	0.2
57.03442	0.7
61.02942	0.3
61.69644	0.3
69.03427	0.5
71.05000	6.5
74.45371	0.3
75.04517	0.3
85.02911	9.3
88.85915	0.3
92.21126	1.4
97.02895	0.7
109.02901	0.4
109.22808	0.3
129.05453	1.3
145.05003	0.3
174.53432	0.3
185.95567	0.3
241.05200	0.3
270.40082	0.3
286.04617	0.4
301.07068	100.0
463.12137	2.8
513.22827	0.3
609.27283	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53577	0.3
53.78072	0.4
54.09274	0.3
55.01878	0.6
56.41752	0.4
60.08509	0.4
68.00033	0.4
68.99728	0.4
69.03436	3.4
70.06580	0.9
81.03416	2.0
85.02910	7.7
86.09703	0.7
87.00822	2.4
88.03338	0.4
95.08598	0.7
97.02886	3.2
99.04449	0.6
105.01868	1.0
109.02895	2.8
115.03922	2.7
115.05475	0.6
127.03921	4.1
129.06972	0.9
131.08559	2.5
136.07677	0.5
137.05974	4.4
141.06984	0.8
143.08546	1.0
151.07536	0.7
157.06494	4.2
159.02884	0.9
159.08035	5.3
159.09218	2.0
161.04482	1.0
161.05843	0.5
167.83383	0.5
169.06445	2.5
170.07303	0.7
171.08072	2.2
172.72861	0.5
174.06757	5.7
175.07527	4.7
178.34540	0.5
186.06755	1.0
188.07065	1.1
189.09097	28.7
191.10698	3.3
201.09090	9.8
203.10643	9.1
219.10161	100.0
221.11815	0.6
237.11264	0.9
247.04431	0.9
265.05557	0.8
301.07028	2.0
325.14224	0.7
375.83414	0.5
415.18521	2.5
467.15054	0.7
491.96106	0.5
591.21606	0.5
609.19788	0.8
609.32581	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2176
Annotation	Matteucinol 7-O-beta-D-apiofuranosyl(1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01865	0.3
56.82130	0.3
66.51339	0.3
68.26241	0.4
69.03423	3.1
70.06589	0.5
71.63196	0.3
75.73655	0.4
77.89227	0.3
80.14835	0.4
81.03409	1.5
85.02911	7.1
86.09676	0.4
87.00826	3.9
94.11060	0.3
97.02901	3.1
99.04446	1.6
102.05486	0.5
105.01858	1.9
105.85690	0.4
109.02888	1.7
115.03889	1.3
120.08094	0.5
123.87156	0.4
125.02338	0.5
127.03911	3.6
128.06258	0.3
129.06975	0.8
131.04919	0.6
131.08559	2.4
137.05936	3.3
141.07008	1.6
143.04991	0.5
143.08545	0.6
145.04919	0.6
149.17653	0.3
151.03899	0.4
151.07533	0.8
157.06451	4.3
158.07253	0.5
159.02901	1.4
159.08063	8.1
161.04475	0.6
161.05968	0.3
162.06670	0.4
169.06476	1.7
170.07220	0.4
171.08057	2.5
174.06761	6.3
175.07513	4.2
187.07472	0.6
189.09091	30.9
191.06929	0.5
191.10675	3.2
201.03984	0.4
201.09096	9.4
203.10661	8.5
219.10156	100.0
221.11781	0.7
231.04913	0.4
237.11281	0.9
241.81693	0.4
247.04442	0.9
247.07582	0.4
265.05542	0.5
373.64429	0.4
467.15533	1.5
475.71823	0.5
609.31512	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	609.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.8
61.02921	0.5
65.27472	0.4
69.03430	4.2
72.61455	0.4
73.02906	1.0
74.65744	0.5
81.03427	2.4
85.02912	8.2
87.00842	4.2
97.02901	4.0
99.04460	2.3
105.01891	3.4
109.02882	2.8
110.06326	0.5
115.03941	1.7
115.05448	0.6
124.10490	0.4
127.03936	4.6
129.07033	0.7
131.08562	3.0
137.05948	3.8
141.07008	1.9
143.08594	0.8
145.04900	0.9
151.07533	0.8
157.06503	3.4
159.02864	0.8
159.08076	5.2
161.04411	1.9
163.07568	0.7
169.06473	2.2
171.08089	2.8
174.06790	4.1
175.07552	4.4
175.08823	0.5
186.06703	0.6
187.07527	0.9
189.09103	30.8
191.10724	3.0
201.09119	9.5
203.10658	7.2
219.10164	100.0
221.11774	0.6
231.04910	0.6
237.11156	2.7
247.04439	1.0
262.50623	0.4
265.05524	0.6
283.97723	0.5
285.07574	25.0
292.75330	0.6
321.83701	0.5
325.14343	0.6
404.48990	0.5
421.98755	0.5
447.12833	7.4
467.15570	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	609.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17447	0.7
64.53555	0.9
72.87313	0.8
89.06337	0.9
138.05481	1.2
140.07074	2.1
253.09660	7.5
254.10443	7.6
266.10535	9.8
267.11325	6.0
268.12082	12.0
281.09174	1.9
293.09363	2.4
294.09918	13.8
295.10760	100.0
296.11536	52.6
297.12741	1.2
299.10355	2.3
311.10309	11.5
312.11014	55.4
313.11807	80.8
347.35031	1.1
361.80344	1.0
373.14072	1.4
376.76114	1.1
392.15991	12.8
394.17633	1.8
415.15329	8.0
434.17307	3.5
436.18747	18.9
452.18140	29.4
454.19797	4.9
500.35892	1.2
573.23346	10.3
591.24573	47.2
609.25732	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	609.2703
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
71.18791	0.5
90.15325	0.5
128.50601	0.5
220.96422	0.6
224.38222	0.7
272.09552	0.6
407.22482	1.1
421.23944	2.8
430.21921	0.9
444.23288	1.1
457.23779	3.0
459.21402	1.2
460.22400	1.2
461.19507	1.0
472.22565	0.8
473.88748	0.7
475.20630	6.4
476.21619	8.5
477.22296	4.5
485.23453	14.1
486.20657	3.6
487.25089	1.0
489.22784	4.8
497.23697	0.8
499.21265	3.0
500.22208	1.3
503.24573	7.7
504.24686	2.9
507.23627	1.0
513.22449	0.9
515.24243	8.5
521.25208	4.0
531.23938	13.4
535.23676	0.8
541.22589	0.8
548.24493	0.8
549.24884	3.6
550.25836	7.1
559.23425	7.0
563.26648	0.7
591.26080	8.7
609.27051	100.0
631.93762	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	609.2707
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
56.51698	0.4
60.73493	0.4
68.92688	0.4
78.49187	0.4
80.61119	0.5
96.22072	0.4
122.72373	0.5
132.48848	0.5
140.66963	0.4
158.58047	0.4
175.48048	0.5
178.55472	0.6
184.37642	0.4
224.13126	0.4
398.06155	0.5
407.22495	1.1
421.23962	2.2
449.23642	0.6
457.24124	2.0
459.21857	2.8
460.22781	0.8
461.19571	1.8
462.19940	0.6
463.21555	2.1
472.23151	0.8
475.21011	9.3
476.21667	9.6
477.22455	7.4
478.23645	0.7
485.23434	10.0
486.20328	3.8
488.22125	0.8
489.22852	5.3
493.22534	2.3
494.26505	0.7
499.21512	5.5
500.21567	1.1
502.24060	0.7
503.24667	11.1
504.24817	2.9
507.23566	0.8
513.22876	2.0
515.24323	8.2
517.22412	2.2
521.26385	4.0
531.23914	8.9
535.23395	1.0
541.22430	1.0
549.25171	2.7
550.25671	7.8
559.23425	7.8
563.26392	1.1
591.26007	5.3
609.27081	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90716	0.3
62.58290	0.3
65.92938	0.3
70.06587	0.5
74.06072	0.3
75.98528	0.3
83.89959	0.3
86.09704	0.5
102.35777	0.3
116.07079	0.3
117.05785	0.4
118.06541	2.3
130.06534	0.4
132.08092	2.0
144.08086	5.4
145.94156	0.3
146.06020	32.5
148.57677	0.3
159.09174	4.6
160.07608	0.5
170.06021	2.0
188.07072	100.0
205.09726	36.2
205.11700	0.6
207.13742	1.4
281.49704	0.3
297.69168	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	609.4513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	6.8
57.07094	1.3
66.35913	1.2
67.05507	12.6
69.07070	8.3
79.05499	8.3
81.07066	14.9
83.08642	5.4
85.40186	1.3
87.79340	1.2
91.05489	6.6
93.07045	12.6
95.08616	17.2
97.10172	2.5
105.07079	9.8
107.08607	7.5
109.10167	8.2
111.08069	1.9
117.07005	6.1
119.08586	7.8
121.10137	8.7
123.11723	1.4
123.67586	1.3
129.07057	2.9
131.08585	7.9
133.10139	9.2
135.11720	3.3
143.08553	2.1
145.10123	7.6
147.11694	5.4
155.08572	3.0
157.10155	6.0
159.11710	8.0
161.13197	1.6
163.14882	1.6
169.10127	5.9
171.11722	9.0
173.13261	5.6
183.11699	8.9
185.13326	4.9
195.11684	1.8
197.13242	6.1
199.14845	5.5
201.16504	1.4
209.13356	2.2
211.14857	1.6
215.76031	1.8
225.16409	2.7
237.16295	1.9
239.18045	1.6
287.69803	1.4
372.27872	1.4
422.24313	1.6
475.21341	2.5
476.21793	5.4
476.84662	1.7
485.23459	6.0
499.20828	1.7
503.24304	1.7
515.24133	1.9
531.23584	5.5
540.37317	1.7
549.25317	2.3
591.25024	4.5
591.44049	6.0
609.27411	37.8
609.45050	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59348	1.2
55.05517	6.9
56.88480	1.1
57.03436	1.9
57.07077	2.5
60.46466	1.0
67.05515	20.1
67.09247	1.2
69.07063	10.9
78.37926	1.3
79.05515	12.6
81.07065	26.3
83.04997	1.2
83.08628	5.5
88.84512	1.1
91.05495	9.5
93.07058	16.4
95.04982	2.2
95.08614	21.6
97.06533	1.4
97.10183	5.5
105.07044	10.5
107.08610	13.7
109.10176	12.1
117.07037	2.9
119.08595	11.8
121.10110	8.9
123.11717	2.5
125.09620	1.5
129.07047	5.6
131.08589	7.8
133.10115	10.8
135.08005	1.5
135.11691	7.4
137.09645	2.0
139.11185	1.4
143.08585	7.5
145.10127	10.5
147.11719	8.6
149.13246	5.1
151.11153	1.4
155.08575	3.0
157.10152	7.5
159.11708	8.6
161.13277	1.9
169.10126	6.6
171.11717	6.4
173.13268	1.9
175.14845	1.5
181.10141	1.6
183.11682	6.9
185.13315	2.8
195.11714	1.9
197.13251	2.2
199.14856	5.4
201.39819	1.3
209.13274	4.4
211.14932	5.1
225.16571	1.5
227.18097	1.6
277.21750	2.9
296.25946	2.2
297.87296	1.4
427.42065	1.4
531.23846	1.6
535.23291	2.4
591.44312	2.4
609.27698	19.3
609.45111	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	7.1
57.03436	2.7
57.07089	1.9
67.05521	14.2
67.10905	1.3
69.07078	5.8
72.50871	1.1
79.05499	10.3
81.07056	17.0
83.08640	4.8
91.05487	6.5
92.20896	1.5
93.07046	11.7
95.08589	14.0
105.07038	8.5
107.08588	8.5
109.10136	9.0
117.06996	2.8
119.08588	8.2
121.10160	7.9
129.06990	4.7
129.09831	1.4
131.08588	8.4
133.10123	6.3
135.11739	2.8
143.08627	6.3
145.10141	11.0
147.11726	2.8
149.13263	2.2
153.54486	1.3
155.08575	5.5
157.10156	7.0
159.11667	7.7
161.13225	1.6
167.08626	1.9
169.10136	6.6
171.11679	8.5
173.13264	2.7
181.10143	2.3
181.15181	1.5
183.11742	8.9
185.13217	8.6
195.11716	2.9
197.13338	6.1
199.14896	2.8
209.13332	4.8
211.14847	6.4
213.16490	1.6
223.14732	2.4
225.16447	1.8
349.25128	1.4
375.55750	1.2
399.15463	1.3
441.19540	1.2
446.35727	1.2
475.20801	1.6
478.24188	1.2
479.05569	1.3
531.24115	2.5
539.37567	2.4
569.82776	1.2
591.43903	6.2
609.27814	18.2
609.45093	100.0
625.62128	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	609.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39948	0.7
55.01885	1.0
55.05523	9.0
57.03452	4.2
57.07096	1.7
57.29444	0.7
58.49889	0.7
65.03941	1.1
67.05515	24.5
67.05843	1.4
68.00034	0.7
68.69821	0.7
69.07079	10.6
70.25467	0.8
72.03210	0.7
77.26437	0.8
79.05489	19.3
81.07062	27.5
83.08636	5.2
85.06588	1.4
91.05473	12.7
93.07040	24.6
95.04984	1.3
95.08607	26.4
97.06508	1.2
97.10187	3.5
105.07050	15.2
107.08585	15.3
109.10179	11.1
111.08141	1.1
117.07018	11.5
119.08576	16.0
119.48119	0.8
121.10152	10.6
121.15734	0.8
123.08087	1.4
123.11723	3.3
126.80529	1.0
129.07014	4.7
130.46280	0.9
131.08565	14.3
133.10136	10.0
135.08170	1.0
135.11699	5.7
141.07037	1.0
143.08534	5.9
145.10127	21.4
147.11707	10.5
149.09714	1.9
149.13318	4.1
155.08505	2.7
157.10115	6.7
159.11664	15.4
161.13313	5.0
169.10126	6.8
170.11844	0.9
171.10385	0.8
171.11653	6.2
173.13181	7.5
181.10147	1.0
183.11726	6.3
185.13277	4.7
187.14839	1.8
193.67635	0.8
195.11716	1.7
197.13290	5.9
199.14865	1.8
201.16359	1.6
209.13339	2.0
211.14806	1.4
213.16420	1.0
225.16454	1.6
227.18031	1.4
239.17842	3.1
247.07515	0.9
255.17528	1.0
257.18912	6.9
263.23874	0.9
275.20117	4.3
296.25812	1.0
331.22803	3.4
335.25909	4.7
343.90991	0.9
349.24854	0.9
463.23862	0.9
477.22888	1.2
515.24481	1.3
531.24249	3.7
549.27466	3.8
591.44104	4.0
609.29639	16.3
609.45129	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37772	1.3
56.05041	1.8
65.88042	1.5
65.93064	1.6
66.59801	1.4
69.07047	1.9
70.06606	3.9
72.08161	23.5
74.06079	19.6
84.04514	2.3
84.08169	1.8
86.09710	90.6
91.05474	1.8
116.07045	2.0
119.04926	3.3
134.04509	4.0
136.07587	100.0
166.48370	2.0
177.05447	2.0
185.16501	40.3
192.10220	29.0
202.08607	3.5
213.15959	16.8
235.09164	11.4
235.14343	1.8
237.12280	8.7
245.07695	3.0
265.11832	6.7
306.07126	1.8
331.20450	2.5
376.22223	19.7
380.14511	2.5
398.15619	23.3
477.27008	11.3
483.62711	1.9
592.29895	11.8
610.30872	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	610.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70337	0.9
53.03943	1.2
55.05519	2.8
57.07075	1.2
66.76879	1.0
67.05514	23.2
69.03439	6.2
69.07076	6.2
74.06089	1.2
75.84354	1.1
79.05500	10.0
81.03417	6.7
81.07061	41.3
83.04988	3.0
83.08617	5.4
85.02909	34.1
85.06519	1.2
93.07039	8.0
95.08611	43.9
97.02894	14.2
97.10162	13.0
99.04470	14.7
100.99711	1.2
103.03948	38.2
105.07018	1.7
107.08588	12.7
108.67323	1.5
109.02903	9.4
109.10161	49.9
111.08060	1.8
114.09186	5.2
116.71499	1.3
119.08575	6.6
121.10167	11.2
123.08072	2.3
123.11722	17.9
125.09635	17.1
127.03915	53.1
131.08580	2.3
133.10124	8.1
135.11671	9.8
137.09613	7.1
137.13261	2.8
139.79416	1.2
145.02835	2.8
145.04948	14.9
145.10078	5.4
147.11691	2.6
149.13257	8.0
151.11145	3.0
159.11671	6.0
163.06006	3.0
163.14824	1.8
173.11749	2.8
173.13191	4.6
177.05423	2.4
177.12820	2.2
191.17920	1.9
195.13785	2.6
205.19496	2.1
207.52724	1.6
215.17958	17.7
228.12033	1.4
233.18988	22.6
233.22621	3.2
251.20052	48.6
251.23796	3.2
269.21106	75.2
269.23993	3.0
271.08447	2.0
287.22162	100.0
291.26819	2.3
301.07153	1.7
302.07352	1.9
307.10220	7.4
519.73956	1.4
610.46741	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	611.0625
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77059	0.7
67.46175	0.8
71.58736	0.7
117.97121	0.8
134.96065	5.7
164.93469	6.2
178.95073	3.1
180.17282	0.8
192.96713	3.5
243.08316	1.6
250.93568	0.9
265.32852	0.7
268.94604	100.0
268.98154	15.9
381.07968	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	611.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.3
61.02921	0.9
66.67474	0.2
69.03428	2.1
70.06585	0.3
70.84579	0.1
72.13857	0.2
76.80106	0.2
77.87165	0.2
79.23685	0.2
81.03416	0.4
84.08138	0.2
85.02911	7.9
86.09694	0.7
87.04474	0.2
97.02905	2.8
99.04443	0.2
101.07174	0.2
109.02873	0.9
109.67339	0.2
121.08240	0.2
127.03929	1.3
139.91913	0.2
145.04964	1.2
146.37546	0.2
167.07759	0.2
287.05487	100.0
306.63943	0.2
329.06686	0.3
449.10776	24.8
602.99872	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	611.1718
Annotation	Okanin 4-methyl ether 4'-O-(6''-O-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
53.16794	0.9
58.11135	0.9
59.86235	1.0
67.61045	1.0
69.03424	2.4
74.01553	1.0
84.08104	1.9
97.02894	86.3
136.06189	100.0
165.36081	1.3
183.42232	1.3
209.61081	1.4
227.02988	1.6
250.09410	8.7
362.08643	1.5
476.05173	1.9
476.11795	34.7
538.00922	1.3
611.17291	25.0
611.32892	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	611.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02018	0.4
55.05508	1.2
61.82380	0.5
63.53486	0.4
69.03438	0.9
70.06595	1.3
72.08158	0.8
75.92873	0.5
79.21744	0.5
81.45178	0.6
84.08168	0.8
85.02866	0.5
87.04442	1.0
94.06567	1.1
114.09169	0.8
120.08141	0.8
122.06029	12.6
136.07568	10.0
137.64034	0.6
164.07054	100.0
182.08119	63.9
217.07314	0.7
287.05164	0.7
301.09305	0.8
303.13391	2.8
319.10605	1.2
321.14429	9.6
414.16394	8.5
415.15601	0.6
433.13815	0.8
611.44299	1.1
628.70703	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	611.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
60.13913	0.4
104.88061	0.5
132.20053	0.5
409.20224	0.6
421.20554	0.7
422.20605	0.6
423.21957	0.9
432.20313	0.5
435.22168	1.7
449.19620	2.2
450.20486	2.4
451.21542	2.3
459.21600	5.2
460.18915	2.1
461.19846	2.3
462.20538	1.8
463.21548	2.0
471.21750	0.5
473.19955	0.7
474.20639	2.0
476.21909	0.8
477.19144	4.5
477.23193	4.0
478.19720	6.2
479.20551	1.8
480.21619	0.8
487.21307	10.7
488.18073	3.5
489.23251	4.7
490.20288	0.6
491.20767	3.5
495.24548	1.4
496.24368	0.6
499.21121	0.8
501.19299	5.5
504.21613	0.7
505.22406	13.8
506.23276	0.8
509.20984	0.6
515.20605	1.0
517.22321	5.5
519.20355	2.3
523.23779	6.4
533.21844	21.2
533.80811	0.5
543.19995	0.7
551.23236	2.5
552.23737	4.5
561.21222	4.7
565.24347	2.1
579.22089	2.6
593.23694	6.4
611.24988	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	611.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24642	1.6
52.31081	1.2
52.58667	1.3
62.56163	1.6
67.05521	2.2
72.17497	1.5
81.07060	2.3
93.07030	2.9
95.08650	2.3
99.56985	1.6
105.07051	2.1
105.25638	1.5
109.10186	1.7
149.50000	1.6
158.50868	1.5
173.13324	2.3
185.13283	2.2
186.84425	2.0
380.62085	2.1
459.21402	3.9
474.20667	3.5
477.23428	2.7
478.20169	7.0
479.21304	4.0
487.21307	14.4
489.23215	3.2
495.24380	2.0
499.21231	2.0
505.22592	14.0
517.22437	7.2
523.23535	8.9
528.23480	2.1
533.21942	26.1
551.23187	2.6
552.23254	3.6
561.21320	6.6
593.23816	16.4
611.25055	100.0
611.35358	5.5
611.46124	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	611.25
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44107	0.6
55.01873	1.0
60.36941	0.6
75.74224	0.6
87.05791	0.7
89.35239	0.7
91.05718	0.8
107.08665	0.9
126.46545	0.8
211.38811	0.8
257.43808	0.8
264.15128	0.9
436.19232	0.8
437.19604	1.2
447.21866	1.4
449.20074	0.9
460.19040	1.5
463.21429	6.4
465.22940	3.3
467.20798	1.4
473.23486	3.4
475.21680	5.2
477.19452	1.1
479.21381	2.2
481.22485	1.3
488.18875	1.0
489.23157	0.7
491.20731	3.5
493.22672	4.6
494.23514	1.2
499.21582	3.6
501.19183	0.9
505.18906	1.2
506.19574	2.7
507.20239	22.9
509.21603	1.0
515.20746	0.8
517.22339	5.2
519.20343	5.4
528.66650	0.8
533.21973	3.2
535.23279	2.7
537.21124	5.6
552.23322	1.1
561.21271	6.7
579.22626	7.0
611.25049	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	611.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10139	0.4
54.11135	0.5
55.05536	0.9
57.07082	0.6
59.43547	0.4
65.51904	0.5
67.05527	3.7
67.05840	0.5
69.07070	1.2
73.04767	0.9
79.05506	1.3
81.07053	4.8
83.08604	0.9
91.05853	5.6
93.07059	2.5
95.08615	4.0
97.10198	0.6
97.29366	0.5
98.80667	0.5
105.07056	2.5
107.08601	1.0
109.10155	1.2
111.85021	0.5
117.07069	0.7
118.16451	0.5
119.08606	2.2
119.49030	0.5
121.10163	1.2
131.08600	2.3
131.73752	0.5
133.10170	2.6
135.11746	0.9
143.08580	0.7
145.10115	2.1
150.71263	0.5
157.10150	0.9
159.11745	0.8
161.13213	0.8
167.05542	1.0
171.11722	1.0
175.14874	0.8
181.10030	0.5
183.11755	0.6
185.56462	0.5
239.09392	0.7
285.00888	0.9
286.00928	2.3
299.06470	0.6
300.06262	0.6
355.07043	2.2
356.07297	2.3
420.23291	0.6
421.23734	0.6
433.24216	0.9
435.18329	2.0
436.22672	0.9
447.21234	0.9
449.23505	3.1
463.20844	12.6
464.21585	1.9
475.20456	5.4
476.21722	1.0
477.22968	3.2
479.24896	0.8
481.22574	0.9
491.20572	1.9
493.26019	1.2
495.24118	0.9
501.22260	0.7
506.22971	4.0
507.23822	0.9
508.20273	5.2
509.25986	3.6
519.23932	2.8
520.24707	2.1
521.22009	0.7
522.22827	1.2
523.23590	6.3
536.24182	6.0
537.24963	63.7
549.24243	0.7
552.26819	0.8
565.25299	0.6
579.25995	7.7
583.28613	0.7
593.45331	1.0
611.19415	4.6
611.28632	100.0
611.46100	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	611.286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00590	0.5
58.97355	0.6
64.69096	0.5
66.17512	0.4
67.05499	1.3
69.07076	0.7
72.95642	0.5
73.04757	1.2
79.05495	1.3
81.07069	1.2
85.06570	0.5
89.56653	0.5
91.05787	3.2
92.21524	1.1
93.07045	0.7
94.12669	0.5
95.08599	2.4
109.10143	0.9
123.11662	0.6
133.10214	0.6
162.81102	0.6
167.05556	0.8
191.02022	0.6
300.06290	1.1
356.07230	2.1
421.23993	0.7
435.18283	1.0
436.22678	0.7
447.21252	0.9
448.22592	1.0
449.18692	0.7
449.24014	1.2
461.23413	0.7
463.20947	12.0
464.21518	1.4
465.23111	0.7
475.21439	6.5
476.22195	0.9
477.22867	1.2
491.20981	3.2
492.25128	0.7
506.23495	2.2
507.23709	1.0
508.20325	5.6
509.25308	2.7
519.23944	2.8
520.24683	1.3
520.32288	0.6
523.23199	8.1
536.23792	5.4
537.24933	64.1
579.26074	6.8
611.28589	100.0
611.45844	4.9
617.52338	0.7
625.97394	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88522	0.6
61.88819	0.8
63.64105	0.6
75.94845	0.7
81.07079	1.0
84.40461	0.7
138.12160	0.8
148.54936	0.7
157.87640	0.8
160.03542	0.7
161.80185	0.9
370.96338	0.9
406.84290	0.8
407.22458	5.3
421.23923	20.7
422.24832	1.1
437.19675	0.9
451.21237	13.8
465.16162	1.1
465.22827	34.6
466.23712	4.6
479.24350	14.9
492.25723	1.0
493.26309	4.8
494.26929	8.8
507.27768	1.3
523.22852	7.2
537.24866	5.4
538.25714	20.1
551.27148	5.3
551.34528	0.9
565.28235	6.1
567.29749	18.5
567.38062	0.9
611.28717	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.1
56.32921	0.8
67.05500	2.5
69.07072	1.3
73.80212	0.9
76.40988	0.8
76.59022	1.0
78.01955	0.8
79.05479	2.0
81.07063	4.7
83.08619	1.3
91.05857	4.0
92.44451	1.1
93.07050	4.8
95.08619	5.9
97.10108	1.0
100.80942	1.2
105.07019	1.3
107.08579	2.3
109.10128	1.3
133.10187	1.9
147.11632	1.2
161.13312	1.2
164.58508	1.4
195.44858	1.2
299.06168	1.2
342.44412	1.1
406.21677	2.2
419.18408	1.4
420.22995	1.3
421.23831	13.4
451.21283	13.6
465.22778	24.6
479.24570	5.0
491.20413	10.5
493.25732	1.4
503.24313	26.8
507.28223	1.2
508.28497	5.0
535.27081	19.9
537.24884	3.6
538.25543	7.9
552.27069	3.9
567.29694	47.1
593.27124	2.1
611.19836	3.5
611.28577	100.0
611.44617	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	611.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.3
62.27940	1.5
67.05499	2.8
67.98499	1.2
69.03432	10.4
69.07063	2.4
71.04986	2.5
81.07065	7.2
85.02908	100.0
91.05469	2.6
93.07064	3.4
95.08599	6.3
97.02895	64.3
105.07041	5.6
106.07323	1.3
107.08581	8.2
109.10153	18.4
115.03921	41.7
115.04678	2.0
117.06982	3.1
119.08564	7.3
121.06490	1.3
121.10145	7.5
123.11710	7.4
127.03901	18.1
127.11229	2.4
131.08551	8.2
133.10109	9.9
143.08566	2.9
145.10120	14.3
147.11679	9.2
149.13306	2.7
157.03738	2.9
157.04958	56.7
157.10159	6.4
159.10420	1.6
159.11629	11.8
161.13240	3.2
171.11665	6.8
173.13239	9.3
175.06017	60.8
175.14764	3.0
183.11626	5.5
185.13239	8.8
187.14874	6.0
197.13348	5.2
199.14812	1.8
201.16454	1.6
209.13216	2.7
215.17940	8.8
251.17790	1.9
265.19528	2.1
277.19711	1.7
279.21201	1.4
297.21982	1.8
401.31760	3.3
419.33136	18.5
437.34119	10.5
593.38037	5.9
611.39484	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	611.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29411	2.2
55.05532	4.5
59.29662	2.0
67.05515	6.4
67.08408	2.1
69.03436	69.0
69.07092	5.8
70.45318	2.2
71.05012	11.6
71.58944	2.4
78.08004	2.7
79.05511	3.4
81.07066	19.5
83.08656	3.9
85.02937	5.0
85.06573	2.9
91.05492	2.7
93.07076	14.5
95.08603	23.8
97.02899	66.4
97.10187	2.9
105.07067	13.7
107.08600	28.7
109.10161	54.3
115.03943	54.0
117.07032	10.9
119.08574	22.9
121.10141	22.8
123.11717	28.3
125.09650	15.7
127.11238	12.2
129.07060	4.1
131.08597	11.1
133.10172	14.4
135.11731	11.2
141.12766	17.0
143.08607	14.5
143.10719	11.3
145.10164	17.6
147.11661	26.8
149.13310	16.6
151.69260	2.4
157.05008	3.7
157.10100	21.1
159.11679	29.1
161.13264	24.0
169.10176	13.9
170.10864	2.5
171.11674	26.8
173.13255	21.1
175.06052	12.4
175.14879	10.3
183.11717	29.2
185.13303	30.4
187.14821	9.8
189.16400	3.6
194.10997	3.7
195.11685	10.4
197.13235	18.2
199.14876	5.8
207.11952	2.8
209.13347	10.4
211.14835	10.5
215.18028	10.5
223.14806	5.5
224.68575	2.9
225.16364	28.2
235.14842	3.7
237.16466	9.9
243.17519	3.0
251.17984	10.8
263.17862	2.6
279.21249	3.1
279.39047	2.5
314.74783	2.9
401.32077	10.9
419.33035	81.9
437.34067	36.7
461.36600	2.8
512.26215	2.8
593.38184	18.1
611.39374	100.0
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
55.05518	6.5
57.03443	4.8
57.07076	1.3
67.05514	19.2
68.08739	1.0
69.07085	9.0
79.05506	20.0
81.07069	28.1
83.08642	5.2
90.04775	1.0
91.05479	12.3
93.07057	28.0
95.04953	2.0
95.08612	19.9
97.10225	1.1
99.08105	1.6
105.07047	12.9
107.08601	15.2
109.10159	11.0
117.07034	4.8
119.08617	12.3
121.10183	12.3
123.11736	1.9
131.08583	9.8
133.10161	8.8
135.11671	7.7
143.08598	1.4
145.10146	8.4
147.11713	6.4
149.13310	4.1
157.10175	2.5
159.11713	7.9
161.13290	4.7
171.11650	2.5
173.13272	5.7
175.14853	2.5
185.13283	2.1
187.14914	2.2
197.13388	1.5
199.14876	1.6
227.17888	1.5
241.19598	2.1
259.20648	6.5
335.25745	3.8
418.94492	1.2
455.82382	1.2
593.45575	5.3
611.46729	100.0
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
53.94962	1.6
55.05517	4.0
57.07080	1.9
67.05505	21.6
69.07085	9.2
79.05501	14.1
81.07064	21.3
83.08640	7.2
91.05457	12.1
93.07035	22.3
95.08613	20.0
95.71848	1.5
97.10191	2.6
105.07018	15.5
107.08589	13.7
109.10193	9.7
117.07054	3.5
119.08560	13.8
121.10174	10.2
123.11714	3.1
131.08620	9.9
133.10126	11.8
135.11734	4.0
138.31232	1.9
143.08588	3.4
145.10202	11.1
147.11732	13.0
149.13269	3.3
157.10187	7.3
159.11760	10.5
161.13266	3.1
171.11736	6.6
173.13275	7.1
183.11787	2.0
185.13365	3.4
187.14905	3.8
213.16440	3.2
259.20721	9.1
332.22119	8.0
333.24316	3.9
335.25952	4.1
371.94485	1.8
601.52448	1.7
611.19330	2.1
611.46936	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44677	2.1
55.05522	6.7
57.03445	4.0
67.05511	38.3
69.07064	14.4
70.25853	2.6
79.05492	23.2
81.07066	35.9
84.01624	2.6
91.05471	16.6
93.07045	43.5
95.08605	30.9
100.08263	2.7
105.07025	21.8
107.08630	24.7
109.10194	19.9
117.07078	4.5
119.08557	28.6
121.10117	7.2
123.11723	2.8
129.06979	4.4
131.08575	22.1
133.10141	26.2
135.11658	10.9
135.63931	2.8
143.08507	4.3
145.10117	23.9
147.11664	20.0
149.13278	3.0
157.10149	3.7
159.11662	5.7
161.13239	12.2
163.14819	2.9
171.11691	4.6
173.13266	5.4
175.14813	3.6
199.14783	3.4
211.14807	3.5
216.79625	3.5
236.31517	3.0
241.19405	4.6
252.10175	2.8
257.19052	3.5
259.20581	11.7
290.87158	3.0
314.07721	3.1
335.25778	13.3
389.95538	3.1
392.42035	3.7
593.45679	4.8
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	611.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	6.8
57.03444	2.1
62.53114	1.4
67.05515	27.7
68.97133	1.4
69.07071	9.6
79.05490	18.1
79.29099	1.4
81.07060	27.1
83.08627	3.4
91.05482	14.9
93.07050	25.7
93.37356	1.3
95.08611	22.0
97.10197	2.4
99.08109	1.5
105.07042	11.8
107.08587	18.2
109.10181	7.6
117.06971	3.0
119.08585	13.1
121.10177	10.5
123.11729	1.5
131.08588	8.9
133.10146	11.0
135.11714	3.5
143.08679	1.6
145.10172	7.4
146.88698	1.6
147.11705	11.5
149.13277	1.9
157.10124	2.6
159.11713	7.0
161.13263	7.3
170.84065	1.6
171.11739	2.7
173.13246	2.5
185.13333	3.6
187.14760	1.7
210.56946	2.2
216.04878	1.8
216.56400	1.5
241.19649	1.9
259.20590	7.0
298.66867	1.4
333.24045	1.6
335.25888	3.6
420.40530	1.8
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	611.467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	8.0
57.03437	1.4
57.07076	3.4
59.05012	0.5
65.03941	0.6
67.05509	15.8
69.07072	10.0
71.08648	1.0
73.04758	0.9
79.05483	7.8
81.07067	17.8
83.04971	1.0
83.08614	6.6
85.06547	1.2
91.05433	6.3
92.29362	0.6
93.07047	13.1
95.04978	0.7
95.08611	19.1
95.38300	0.6
97.06528	2.6
97.10159	6.4
100.39893	0.6
104.55196	0.6
105.07032	8.8
107.08601	9.7
109.10175	7.8
111.08100	0.7
111.11704	0.9
117.07043	5.7
119.08562	8.5
121.10152	8.6
123.08096	0.8
123.11735	1.3
125.09631	0.8
129.07014	4.0
131.08546	8.7
133.10149	7.6
135.11673	5.2
139.11153	0.6
143.08571	6.1
145.10120	12.5
147.08214	0.7
147.11678	7.0
148.58202	0.6
149.13275	2.8
151.50801	0.6
155.08569	3.7
157.09038	1.0
157.10118	7.0
159.11676	8.9
161.13249	4.3
163.14821	1.0
167.08499	1.1
169.10095	6.5
171.11687	6.1
173.13298	5.5
175.14828	1.3
179.14326	0.6
181.10193	2.8
183.11642	5.0
185.13167	6.1
187.14859	3.8
191.17911	1.2
195.11734	1.2
197.13321	4.6
199.14835	5.0
201.16422	2.5
203.17975	1.0
209.13254	2.3
211.14912	3.3
213.16377	4.7
215.18092	1.4
221.13342	0.8
223.14909	1.2
225.16393	1.1
227.18092	0.9
229.19548	1.1
235.14934	0.9
237.16454	1.3
239.17970	1.3
241.19656	1.1
249.16418	1.0
251.17844	0.7
267.20987	1.2
269.22922	0.7
280.26462	2.4
285.01019	0.7
296.25967	1.0
298.27490	1.4
299.25735	0.9
306.47736	0.7
309.25778	0.7
356.06909	0.8
449.33630	0.8
463.17731	0.7
465.22348	0.7
477.19324	3.9
493.22491	0.8
519.42041	1.5
537.24493	0.9
537.43219	1.2
541.39178	1.3
579.25842	0.9
593.45862	8.1
611.19250	1.5
611.28693	11.0
611.46686	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	611.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32725	4.0
55.05520	5.2
67.05508	28.8
69.07081	7.4
79.05499	17.7
81.07053	24.6
83.08636	7.5
85.52373	4.5
90.13796	5.2
91.05468	17.2
92.21558	7.9
93.07057	20.2
95.08601	27.5
105.07037	21.2
107.08612	20.3
109.10213	6.1
112.09858	4.1
116.41433	4.6
119.08611	18.1
121.10149	8.3
131.08585	17.1
133.10136	18.4
135.11661	4.8
143.08577	5.6
145.10054	6.8
147.11681	6.8
159.11722	9.7
161.13300	5.6
171.11621	4.7
173.13258	7.4
259.20554	9.7
335.25702	16.2
359.54449	4.8
590.34637	5.2
593.45996	6.3
611.46503	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4586
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05043	2.2
69.07079	1.6
70.80212	0.8
81.07048	1.0
82.52230	0.8
83.08624	0.9
91.13536	0.8
93.07048	1.2
95.08585	1.0
109.10167	6.0
111.08102	1.0
112.53652	0.9
135.11659	0.9
137.09618	1.9
144.13470	0.9
149.13255	2.1
153.13852	4.4
154.12277	100.0
166.15958	1.3
167.14149	0.9
171.14922	42.0
172.13290	1.3
182.15407	7.3
196.16925	1.7
199.18060	1.2
210.18512	16.1
212.16406	4.2
224.20087	4.1
227.21315	1.1
262.74103	1.0
347.26801	4.7
348.25366	3.2
365.27972	5.0
369.27563	3.5
383.29050	59.4
397.30530	1.6
425.11932	0.9
425.33881	1.7
439.35147	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	613.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.8
55.05513	7.8
57.03453	1.9
57.07092	2.0
61.02922	2.8
61.28800	1.5
67.05503	21.2
67.62835	1.7
69.03434	13.6
69.07076	15.7
69.76557	1.8
79.05490	2.8
81.03432	4.4
81.07059	24.8
83.04991	3.0
83.08630	3.9
83.48630	1.7
85.02901	23.7
86.09690	2.0
87.04472	2.9
91.05476	2.9
92.66761	1.9
93.07037	14.1
95.04976	2.1
95.08609	30.6
97.02901	10.7
99.04449	2.1
105.07029	13.5
105.51557	1.9
107.08595	22.5
109.02864	3.6
109.06554	3.2
109.10163	53.0
111.08104	2.5
119.08562	35.5
121.10136	17.8
123.11686	6.9
127.03947	9.8
129.07048	7.7
131.08588	11.1
133.10092	21.5
135.08139	2.5
135.11736	8.4
137.09659	10.2
141.06981	2.6
141.43100	2.1
143.08606	8.6
145.10149	24.1
147.08055	2.4
147.11700	13.0
149.09633	2.4
149.13280	4.1
151.11247	2.0
155.08566	4.6
157.10121	19.4
159.11699	18.4
161.09634	2.9
161.13327	10.7
169.10101	18.3
171.11647	19.1
173.09666	4.2
173.13292	3.6
175.11230	3.0
175.14772	15.1
179.07143	2.4
179.08588	2.3
179.14378	2.2
181.10239	2.6
183.11670	14.3
185.13307	12.3
187.14854	8.6
189.16362	2.6
195.11765	11.1
197.13283	11.7
199.14838	2.8
201.12779	2.9
203.14268	2.5
207.11711	3.7
209.13332	9.2
211.14822	4.6
221.13237	4.5
223.14922	3.6
225.16306	3.9
231.56271	2.4
233.13425	2.6
235.14926	2.9
237.16498	7.3
239.14307	3.8
239.17914	4.7
249.16647	3.0
251.17612	2.2
253.16051	2.0
253.19482	2.6
261.16418	2.5
263.14023	2.7
263.17960	3.2
265.19547	3.6
275.17999	3.6
275.96167	2.0
277.19540	3.8
279.17776	2.1
281.19101	9.4
295.20847	2.5
303.21225	3.4
321.22107	3.6
329.22696	2.7
347.23749	3.0
349.25497	4.1
377.24835	3.6
391.30090	2.1
395.25946	2.5
397.29071	4.1
403.29980	3.7
405.02878	2.0
415.29996	21.1
421.31177	3.3
433.31039	58.5
435.73862	2.1
451.32080	28.2
531.29608	7.6
568.65643	2.1
595.36450	9.9
613.37396	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57238	0.8
53.84503	0.8
53.97858	0.7
54.98582	0.7
55.01861	1.3
55.05516	6.8
56.50036	0.7
56.51377	0.7
57.07078	1.3
67.05508	18.1
69.07053	6.2
79.05501	7.5
81.07066	28.7
83.04982	1.4
83.08626	1.9
90.65105	0.9
91.02970	0.9
91.05455	4.3
93.07050	7.0
95.08612	18.6
97.06541	1.4
97.10197	1.6
105.07028	1.9
107.08563	6.5
109.06509	5.4
109.10152	7.9
111.04438	14.4
112.82078	1.1
119.08559	4.7
121.10130	6.4
123.11684	5.1
125.05987	2.3
131.08595	1.4
133.10130	6.9
135.08014	1.1
135.11702	5.2
137.05981	100.0
137.13251	1.5
145.10109	1.5
147.11723	8.8
149.09621	3.4
149.13235	1.5
151.07529	1.6
157.10133	1.7
159.11626	1.1
161.09599	6.3
161.13229	4.4
163.11179	2.2
165.09181	1.5
171.11804	1.1
173.13159	1.5
175.11176	2.4
175.14778	1.3
177.12720	1.2
189.01482	1.1
189.12679	1.1
203.17912	4.8
213.16373	1.5
221.18965	1.3
231.17384	4.3
237.55281	1.0
249.18607	1.9
277.17944	23.2
295.19034	5.1
613.44452	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	613.4826
Annotation	2,3-dilinolenoyl-sn-glycerol
Peak:m/z	Relative Intensity
52.96846	2.1
57.44752	2.2
67.05495	12.0
69.07064	6.2
79.05499	3.4
81.07061	18.8
83.08630	10.8
91.05466	4.4
93.07050	11.7
95.08609	19.2
101.47036	3.3
104.41169	3.1
105.07042	11.4
107.08630	5.1
109.10148	5.9
116.01626	2.4
117.60975	2.4
119.08593	15.9
131.08589	4.2
133.10124	5.3
145.10120	6.5
147.11766	4.0
153.82356	3.4
161.13309	3.9
171.11780	3.6
173.13216	3.7
186.13347	2.8
187.14827	2.8
201.16507	4.0
211.14627	3.0
213.16331	3.9
215.17992	2.9
595.46918	5.9
613.48138	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4828
Annotation	2,3-dilinolenoyl-sn-glycerol
Peak:m/z	Relative Intensity
55.05528	5.9
57.03438	3.7
57.07077	1.6
67.05181	1.5
67.05516	23.7
69.07079	8.2
69.47594	0.7
71.04993	0.7
71.08618	0.8
79.05498	11.0
81.07066	28.5
83.08626	5.9
91.05481	8.9
93.07058	16.0
95.04981	0.8
95.08609	24.3
97.06518	2.0
97.10174	1.4
99.08051	0.9
105.07056	11.7
107.08613	11.3
109.10163	13.9
111.08065	1.5
117.07027	3.4
119.08595	11.4
121.10142	13.1
123.11723	6.4
124.61888	0.9
129.07050	1.6
131.08563	8.5
133.10135	13.6
135.11688	8.3
137.13240	1.1
143.08597	1.5
145.10106	7.6
147.11707	9.3
149.13283	7.2
155.08615	1.2
157.10088	2.8
159.11687	8.8
161.13289	8.0
163.14828	1.3
167.38826	1.0
171.11713	3.9
173.13239	6.9
175.14848	3.8
183.11693	0.8
183.23853	0.8
185.13318	4.2
187.14883	5.0
199.14848	1.9
201.16371	1.3
227.18153	1.2
241.19560	1.7
242.24956	1.0
259.20624	4.3
261.22159	4.8
301.43665	1.0
333.24319	1.4
335.25870	5.5
337.27460	1.9
455.15991	0.8
595.46924	7.4
613.48199	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83023	0.4
59.72080	0.4
79.25704	0.4
143.08493	0.5
159.11598	0.4
166.96440	0.5
184.23102	0.5
203.65205	0.5
317.17892	1.0
318.24042	100.0
453.45139	0.5
507.83597	0.5
553.26666	2.4
610.93896	0.5
613.40131	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	613.4914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52737	0.4
58.09708	0.4
62.12150	0.5
80.43354	0.4
81.07048	0.5
89.39722	0.4
128.13193	0.5
128.14395	0.5
145.74423	0.5
178.04738	0.4
269.04672	0.5
318.24023	100.0
339.38025	0.5
470.54874	0.5
508.17441	0.5
553.20544	2.0
613.23132	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	614.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	1.7
63.34010	0.4
67.05500	1.8
69.07057	0.7
70.06572	1.0
73.10186	0.4
79.84782	0.3
81.07103	0.5
83.08625	0.8
88.07626	2.7
93.07040	0.7
95.08579	0.6
97.10165	0.5
102.09212	0.8
106.08664	0.9
107.08575	0.6
109.10139	4.0
119.08534	0.6
124.11243	0.8
125.09614	1.7
137.09615	1.0
153.13861	1.8
154.12260	48.3
168.13817	3.5
170.11736	2.0
171.14915	23.0
171.16100	0.5
185.16458	0.7
256.26233	3.5
274.27377	100.0
305.22229	2.3
306.20651	0.8
320.09149	27.4
323.23364	1.1
341.24323	14.2
614.31183	8.2
614.51306	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	614.5102
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55184	0.3
56.05042	1.0
57.07077	0.7
59.04116	0.3
61.99025	0.3
67.05487	0.8
69.07041	0.6
70.06577	0.9
74.58859	0.4
82.52452	0.3
88.07618	1.8
94.25079	0.4
95.08621	0.5
97.10130	0.4
102.09209	0.4
106.08669	1.8
109.10130	3.4
110.87377	0.4
111.11739	0.4
113.28696	0.6
119.08580	0.7
125.09644	0.5
137.09612	2.0
140.66856	0.4
153.13835	2.0
154.12267	48.3
168.13832	1.0
170.11752	0.8
171.14915	21.6
172.13272	0.8
173.11623	0.4
256.26242	3.7
274.27390	100.0
305.22195	2.3
306.20590	0.8
319.24466	0.7
323.23419	2.8
341.24356	11.2
363.63968	0.5
614.51282	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	615.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.05518	11.2
57.03437	1.3
57.07082	1.7
60.79269	0.6
61.02935	0.8
65.41899	0.6
67.05507	4.4
68.31908	0.7
69.03426	8.5
69.07069	10.3
71.04987	3.0
71.08620	0.8
71.78582	0.7
79.05477	1.1
81.03420	5.7
81.07061	11.5
83.04986	29.2
83.08622	5.8
85.02912	22.5
85.06546	1.3
88.60046	0.8
92.21468	0.8
93.07050	3.2
95.08614	15.1
97.02896	13.1
97.06570	1.1
97.10198	5.0
99.04462	12.3
103.03942	18.7
105.07018	0.9
107.08599	6.8
109.02910	6.4
109.06522	4.2
109.10155	11.3
111.08068	10.3
111.11728	1.3
119.08607	1.3
121.10142	4.4
123.08071	1.0
123.11726	5.7
125.09630	3.2
127.03912	28.2
133.10081	0.8
135.11690	5.2
137.09627	1.2
137.13300	5.5
142.05641	0.7
145.04942	8.2
147.11697	0.9
149.13239	2.7
151.11134	0.7
153.12721	1.2
161.13353	0.8
163.06017	4.6
163.14789	0.9
165.12804	1.6
187.05989	1.1
203.42339	0.7
267.00055	0.7
289.09195	0.9
291.26736	1.7
307.10254	2.8
309.27875	100.0
478.71838	0.8
615.37762	17.4
642.78040	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	615.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	2.1
54.56746	1.4
55.05514	3.6
57.03435	2.5
57.07084	2.1
61.02918	4.3
62.84654	1.6
67.05515	13.9
69.03436	18.2
69.07067	10.4
73.02901	2.8
79.05515	2.1
81.03423	4.0
81.07071	24.0
83.08639	2.7
83.31302	2.1
83.43208	1.7
85.02908	37.1
85.87794	1.7
87.04456	4.1
91.05466	2.4
93.07053	16.6
95.08618	37.3
97.02888	12.6
99.04448	2.5
99.46008	1.9
105.07037	13.0
107.08600	28.5
109.02879	9.9
109.10172	35.2
119.08572	24.5
121.10150	26.2
123.11703	8.6
124.65748	1.9
127.03915	9.8
131.08630	8.0
133.10127	17.1
135.11693	2.8
137.13223	3.0
143.08606	9.2
145.10138	22.5
147.11703	9.4
149.13266	12.4
152.82901	2.2
155.08603	2.9
157.10060	14.9
159.11667	14.2
161.13284	3.5
167.14389	3.0
169.10094	15.4
171.11679	14.3
173.13255	8.7
177.97591	1.8
181.10158	3.7
183.11716	19.5
184.12534	2.1
185.13271	8.4
187.14845	3.3
195.11700	10.7
197.13295	14.4
199.14832	3.6
209.13243	7.8
210.14073	3.0
211.14842	10.1
213.16345	2.9
221.13188	3.2
223.14819	13.7
224.15567	3.6
225.16393	18.5
227.17865	9.8
237.16388	4.1
239.17868	9.0
251.17961	17.0
253.19481	40.2
255.21194	2.4
265.19431	10.7
266.20288	4.7
267.21033	3.8
313.21640	2.3
359.23080	2.2
371.45938	2.4
375.30511	35.2
393.31570	27.3
435.32593	100.0
453.33551	29.0
462.10825	2.1
555.36774	23.4
615.39148	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	615.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21052	1.3
53.00313	2.2
53.17865	1.2
55.05517	2.1
57.03434	6.1
57.24922	1.2
59.18551	1.3
61.02931	3.0
65.04036	1.5
65.16338	1.3
67.05515	15.0
69.03436	17.6
69.07079	16.5
69.98644	1.5
73.02922	5.8
76.59884	1.3
79.05523	5.5
81.03428	6.7
81.07071	31.7
83.08622	6.1
85.02910	34.1
85.67995	1.5
86.06476	1.6
87.04473	6.1
91.03931	2.1
91.05489	8.1
93.07049	13.5
95.08615	32.0
97.02895	16.6
97.10178	2.2
99.04463	2.5
105.07038	7.7
107.08597	31.3
109.02884	6.8
109.10167	41.4
117.07021	3.2
119.08582	28.4
121.10146	25.3
123.11725	13.8
127.03937	12.0
129.07034	1.9
131.08589	9.6
133.10123	22.5
135.11722	7.3
137.13266	1.8
139.41463	1.6
143.08597	9.6
145.04984	2.2
145.10130	20.0
147.11710	12.2
149.13252	9.9
155.08606	6.0
156.30630	1.4
157.10147	16.0
159.04054	1.6
159.11681	15.3
161.13289	3.1
166.07692	1.5
167.08504	2.1
167.10599	1.9
169.10124	15.9
171.11691	16.5
173.13217	11.3
181.10083	2.9
183.11711	17.9
184.12537	2.6
185.13266	7.7
187.14864	5.8
195.11722	8.9
196.12383	1.7
197.13254	16.0
199.14819	6.0
201.16368	1.7
204.53908	1.7
207.11713	3.0
209.13272	6.1
210.14101	6.2
211.14789	10.8
213.16519	2.8
221.13194	3.0
223.14890	12.4
224.15605	6.0
224.47905	1.6
225.16348	15.4
227.17961	9.3
235.14874	2.1
237.16365	9.3
238.17006	2.1
239.17940	12.5
251.17882	15.1
253.19479	42.7
263.17877	2.8
265.19461	13.6
266.20328	9.8
267.21106	5.4
279.20963	2.9
293.22687	3.4
319.24069	1.8
344.85367	1.6
358.54346	1.6
375.30472	41.1
393.31470	31.3
435.32587	100.0
453.33609	30.8
555.37067	14.5
569.33728	1.8
597.37756	1.7
615.39087	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	615.3889
Annotation	Synaptolepis factor K1
Peak:m/z	Relative Intensity
55.05521	3.7
57.07079	3.0
58.09889	2.5
59.25172	2.1
60.49848	2.0
63.67870	2.1
67.05501	13.1
69.03430	5.7
69.07082	21.7
70.41014	2.1
79.00947	2.1
79.05515	8.1
81.03403	3.3
81.07061	34.4
83.04996	3.0
83.08623	12.5
85.02891	23.3
90.29701	2.3
91.05475	6.3
93.07044	25.4
95.04952	4.5
95.08611	41.6
97.02869	9.4
99.08076	4.9
105.07031	22.1
107.08601	41.4
109.06544	3.9
109.10154	61.0
117.07027	3.4
119.08574	38.3
121.10139	35.9
123.08076	9.6
123.11720	6.0
127.03962	5.3
131.08531	5.4
133.10110	28.2
135.08087	6.2
135.11671	12.7
137.09596	4.5
143.08531	3.7
145.10123	23.4
147.08029	4.3
147.11699	20.5
149.09602	3.8
157.10127	16.6
159.11696	20.6
161.09547	3.8
161.13231	11.7
169.10127	12.7
171.11664	16.0
173.13271	13.9
175.11275	3.2
175.14819	22.4
177.12737	3.7
181.10144	3.9
183.11728	10.7
185.13293	16.8
187.11165	4.5
187.14720	9.3
195.11726	10.3
197.13274	11.2
199.14833	5.8
201.12727	3.2
209.13254	10.3
211.14835	12.6
213.16229	4.3
215.14404	3.3
223.14841	5.8
225.16310	9.6
227.17938	4.3
233.15492	2.8
237.16351	5.8
239.17905	5.8
241.15807	4.6
243.17587	2.9
249.16467	6.4
251.17923	5.2
253.19435	4.5
265.19547	3.4
267.17529	10.5
269.19028	3.7
279.20990	3.5
281.18964	3.3
284.81708	2.6
285.07544	3.4
293.22702	2.7
297.22086	3.6
307.20627	3.1
309.22009	5.3
337.25162	3.9
397.27164	3.8
399.30292	4.1
408.54788	3.0
417.31470	35.3
435.32593	100.0
453.33627	30.5
561.35339	3.5
579.36792	20.5
597.37463	23.9
615.40393	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	615.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	5.2
57.03437	3.3
61.02912	4.4
62.67715	1.8
63.24196	2.1
66.76631	2.1
67.05514	16.5
69.03436	19.9
69.03754	2.1
69.07060	15.2
71.04983	2.9
73.02927	3.1
78.43172	2.0
79.05499	3.6
81.03405	4.6
81.07050	20.1
83.04942	2.3
83.08621	4.7
85.02898	44.2
87.04466	4.6
93.07036	18.0
95.08602	34.5
97.02878	21.6
97.10165	3.1
105.07035	16.1
107.08595	26.5
109.02869	5.3
109.06527	3.6
109.10162	54.6
117.07011	4.7
119.08569	22.7
121.10134	20.5
123.08045	4.5
123.11722	5.5
127.03914	13.3
129.99022	2.2
131.08574	4.8
133.10094	20.5
135.08031	2.9
135.11707	15.6
143.08575	10.1
145.04968	2.5
145.10138	23.5
147.08035	3.9
147.11682	13.7
149.13293	5.5
151.11201	3.8
155.08530	4.0
157.10121	19.3
159.11681	20.8
161.13222	13.3
169.10132	10.4
171.11684	14.0
173.13251	13.8
175.14809	34.8
177.12735	2.6
177.16418	3.0
181.10191	3.6
183.11671	15.5
185.13264	5.1
187.11194	4.2
187.14786	11.1
191.14319	2.6
195.11691	9.7
197.13220	9.7
199.11182	3.2
199.14833	11.2
201.16406	3.0
207.11751	3.5
209.13165	9.2
211.11403	3.1
211.14795	9.7
213.12767	2.5
213.16360	5.4
215.14178	2.3
221.13309	3.2
223.14700	5.5
225.16432	5.3
228.99550	2.3
229.15860	3.3
235.14790	4.3
237.16402	4.5
239.17998	3.5
241.19565	4.6
249.16275	10.7
251.18007	4.2
263.17993	9.7
265.19452	9.6
267.17316	2.9
277.19464	2.9
281.18799	2.7
283.20584	2.6
289.19318	3.2
303.21057	2.7
305.22577	4.7
307.20667	4.5
309.21652	3.0
319.24155	2.7
323.23715	11.8
331.24258	3.4
333.25583	3.0
349.25131	9.7
351.26703	5.0
361.24933	3.1
379.26379	4.2
387.30478	4.7
389.31854	5.8
397.27518	4.8
399.30252	3.9
405.31360	12.8
407.33105	4.0
417.31332	31.0
435.32526	66.5
453.33585	42.7
485.28583	3.8
511.30194	9.3
533.31360	16.5
579.36469	3.7
597.37476	12.5
615.38934	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3883
Annotation	Synaptolepis factor K1
Peak:m/z	Relative Intensity
50.91586	2.1
51.43635	1.9
55.05503	2.6
65.03941	1.9
67.05499	4.9
69.03426	4.7
69.07066	11.8
78.25245	2.3
79.05482	5.5
81.03405	2.9
81.07058	13.7
83.04986	2.4
85.02903	21.0
85.80109	2.1
91.05500	2.6
91.66180	2.3
91.70805	2.2
93.07028	9.8
95.08593	22.2
97.02893	4.8
104.37115	2.2
105.07039	16.6
107.04968	2.7
107.08599	18.9
109.10143	28.5
114.09163	12.2
117.06989	2.7
119.08575	21.8
121.06493	8.3
121.10162	18.1
127.03938	4.5
131.08542	19.0
133.10117	17.1
135.04402	28.8
135.08031	3.6
135.11693	10.2
145.10123	37.3
147.11702	18.9
149.05980	56.6
149.09648	4.2
149.13252	15.9
152.05228	2.3
155.08554	2.7
157.10167	5.5
159.11707	14.2
161.13350	8.1
163.07500	4.9
171.11711	3.4
173.09636	4.7
173.13237	2.9
175.11200	18.0
175.14862	5.0
177.09081	4.1
177.16411	5.3
184.09436	2.3
185.13246	5.0
187.14801	57.1
189.12715	4.4
189.16386	3.9
191.07074	3.3
191.10689	3.5
197.13235	2.6
201.16360	2.6
203.14250	3.9
203.17845	2.4
205.15930	12.9
213.16402	3.4
215.14316	23.6
229.15871	3.1
233.15358	75.8
237.16364	2.9
317.00677	2.6
377.28259	4.2
395.29364	4.1
417.31818	18.6
435.32516	43.5
453.33698	72.5
557.34131	3.0
597.37939	17.5
604.44489	2.5
615.39081	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62368	1.8
53.03964	2.4
55.05511	3.7
57.03436	2.3
61.02912	2.5
66.26030	2.8
67.05510	20.4
69.03424	15.3
69.07069	13.3
71.04993	2.4
79.05513	5.2
81.07059	29.5
83.08633	2.4
85.02904	34.4
91.05495	3.7
93.07056	25.8
95.05013	2.5
95.08603	41.3
97.02877	13.2
99.08039	3.4
105.07011	20.0
107.08603	29.1
109.02872	4.4
109.06519	3.4
109.10160	65.4
111.08115	2.7
117.07024	3.1
119.08571	42.8
121.06510	2.5
121.10135	29.0
123.08032	4.5
123.11673	9.5
125.09595	4.3
127.03923	5.3
129.06964	2.8
130.08415	2.3
131.08557	14.4
133.10097	27.6
135.04416	3.5
135.08072	4.2
135.11708	12.6
143.08577	11.1
145.10136	36.6
147.11681	35.0
149.05984	10.4
149.09584	4.4
149.13278	14.1
155.08514	3.9
157.10124	20.2
159.08104	3.4
159.11653	21.1
161.09570	4.4
161.13237	13.3
163.11209	4.0
169.10133	10.1
171.11650	15.8
173.09554	11.9
173.13278	16.1
175.11189	36.6
175.14789	20.8
181.10027	3.2
183.11647	6.1
185.09607	3.5
185.13237	10.2
187.11188	3.5
187.14819	39.2
189.12863	2.7
189.16319	3.2
195.11670	9.3
197.13284	5.5
199.11148	5.0
199.14845	10.3
201.12660	2.6
203.14290	6.1
205.15889	5.0
209.04224	3.2
209.13199	5.1
213.12749	11.8
213.16428	2.8
215.14270	20.0
223.14790	5.4
223.80693	2.3
225.12865	2.8
225.16397	12.0
227.17969	6.0
229.15886	3.9
233.15416	37.4
235.14696	2.8
237.16322	5.0
239.17867	9.1
241.15987	5.7
249.16322	2.7
251.17944	3.4
253.15680	2.9
255.17436	2.9
267.17542	5.7
269.18896	5.3
274.70129	3.0
283.11218	2.9
309.22052	3.6
327.23050	4.5
355.26556	5.3
359.27316	4.5
377.28418	10.2
395.29388	16.1
399.30603	3.2
405.31271	4.0
417.31458	33.4
435.32474	81.5
453.33667	100.0
557.34570	5.7
561.33649	3.0
579.36877	3.9
597.37830	36.8
615.38940	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	615.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	4.7
57.07096	2.4
59.06396	2.6
67.05523	21.7
69.03425	11.3
69.07066	15.3
71.05007	3.4
73.54889	3.1
79.05470	10.3
81.03423	4.1
81.07069	34.5
83.04962	2.8
83.08647	6.4
85.02917	40.4
89.56238	2.5
92.21468	3.1
93.07045	28.8
95.08601	49.0
97.02898	15.6
99.08122	3.1
105.07025	21.9
107.08610	37.5
109.06522	5.3
109.10165	66.9
115.56921	2.7
119.08584	40.3
121.10143	25.8
123.07156	2.5
123.08022	4.7
123.11698	15.2
125.09698	3.4
127.03906	4.5
127.11184	3.6
131.08586	14.3
133.10144	34.1
135.11690	21.8
143.08554	6.4
145.10123	28.3
147.08028	4.5
147.11636	25.3
149.05930	4.0
149.13269	12.8
155.08592	4.0
157.10127	13.8
159.11713	21.5
161.09651	4.3
161.13268	11.9
169.10112	15.1
171.11671	19.0
173.09511	5.5
173.13232	16.0
175.11177	11.8
175.14847	23.3
181.10023	3.7
183.11676	13.6
185.13257	12.2
187.14832	21.6
189.12683	3.4
189.16385	3.3
195.11696	6.7
197.13237	12.7
199.11203	3.6
199.14865	4.6
201.12814	5.4
205.15891	3.7
209.13214	10.3
211.10925	3.5
211.14865	12.1
213.12703	3.5
215.14241	3.8
221.13277	4.8
223.14644	6.3
225.16376	19.9
227.14314	2.8
229.15709	3.0
233.15453	5.1
235.14877	5.3
235.40370	2.8
237.16447	4.5
251.17957	5.1
253.19559	6.6
257.19110	3.2
263.18005	3.4
265.19601	4.1
267.17542	5.7
269.18860	5.7
283.20660	4.1
291.20859	3.4
307.20404	3.1
335.23697	5.5
354.42111	3.2
355.26398	4.6
367.26132	3.2
417.31564	36.8
435.32620	100.0
453.33649	84.1
597.37897	29.0
615.30457	4.5
615.39050	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	615.389
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	3.5
58.01865	3.4
61.02931	5.8
65.80415	3.3
66.24687	3.6
67.05507	23.2
67.42751	3.8
69.03428	21.6
69.07072	20.4
70.65752	3.4
78.04650	3.5
79.05502	7.6
81.03429	13.7
81.07069	34.2
82.81467	3.9
83.08596	4.4
85.02907	47.6
91.05486	7.2
93.07055	21.0
95.08605	45.4
97.02888	19.5
97.10163	4.6
105.07033	18.9
107.08600	40.0
108.79111	3.8
109.06545	6.6
109.10165	72.2
114.09155	4.9
119.08584	34.6
121.10153	26.7
123.11658	5.9
127.03925	17.2
129.07021	6.9
131.08566	8.2
133.10115	28.5
135.11700	18.3
143.08578	15.6
145.10121	21.9
147.08122	4.3
147.11693	25.3
149.13284	7.8
155.08554	7.0
156.09312	4.4
157.10114	16.1
159.11723	21.3
161.13232	7.5
163.14806	3.8
166.74721	4.2
169.10085	16.2
171.11693	15.5
173.09540	3.6
173.13219	4.6
175.14844	28.6
175.42981	3.7
181.10176	5.3
183.11702	15.7
185.09583	5.5
185.13293	18.0
187.14790	7.9
195.11743	8.5
197.13219	6.6
199.14828	15.2
207.11655	6.0
209.13313	16.9
211.14809	9.2
213.16447	4.1
223.14809	6.8
225.16533	5.5
227.17897	6.6
235.14742	4.6
237.16411	8.1
239.18019	15.2
241.15904	5.9
241.19406	3.9
247.75232	3.7
251.18027	14.5
261.43021	4.1
263.18002	7.4
265.19406	7.8
267.20889	4.9
269.18893	4.2
283.20322	4.6
292.93323	3.7
297.22092	4.3
305.22726	7.2
323.23676	6.7
333.25650	4.2
353.24463	5.1
399.30222	5.6
405.31384	6.1
417.31506	36.2
435.32596	72.4
453.33743	54.2
485.28320	5.3
511.30701	6.7
533.30890	20.6
597.37482	16.5
615.39319	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3895
Annotation	Synaptolepis factor K1
Peak:m/z	Relative Intensity
57.81005	3.4
63.25963	4.0
67.05496	8.5
69.07081	7.7
81.07069	24.4
83.08578	6.2
85.02905	9.8
93.07065	8.4
95.08609	64.4
97.10175	6.9
105.07040	26.5
107.08619	35.0
109.10140	39.4
119.08587	35.6
121.10166	39.5
123.11693	7.8
131.08589	7.8
133.10135	31.3
135.11697	26.1
141.01834	9.6
145.10143	22.8
147.11700	30.8
149.13240	17.7
157.10168	7.8
159.03014	4.5
159.11658	34.7
161.13245	24.0
163.14845	15.6
164.62697	5.2
171.11621	5.4
173.13260	28.1
175.14839	21.6
177.16393	6.4
187.14861	24.4
189.16415	46.8
191.17978	30.5
201.16385	6.3
203.17969	7.2
213.16406	6.4
215.17911	17.4
217.19493	5.0
217.23399	4.2
221.02719	4.8
227.18019	5.5
229.19620	6.0
231.17505	10.7
233.19051	6.2
253.41228	4.5
304.22424	5.0
379.21454	5.7
414.86804	5.4
421.34808	30.2
439.35522	20.2
453.33148	4.9
457.36465	6.5
504.65063	4.5
579.36847	8.8
597.37903	35.6
615.39227	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81005	3.4
63.25963	4.0
67.05496	8.5
69.07081	7.7
81.07069	24.4
83.08578	6.2
85.02905	9.8
93.07065	8.4
95.08609	64.4
97.10175	6.9
105.07040	26.5
107.08619	35.0
109.10140	39.4
119.08587	35.6
121.10166	39.5
123.11693	7.8
131.08589	7.8
133.10135	31.3
135.11697	26.1
141.01834	9.6
145.10143	22.8
147.11700	30.8
149.13240	17.7
157.10168	7.8
159.03014	4.5
159.11658	34.7
161.13245	24.0
163.14845	15.6
164.62697	5.2
171.11621	5.4
173.13260	28.1
175.14839	21.6
177.16393	6.4
187.14861	24.4
189.16415	46.8
191.17978	30.5
201.16385	6.3
203.17969	7.2
213.16406	6.4
215.17911	17.4
217.19493	5.0
217.23399	4.2
221.02719	4.8
227.18019	5.5
229.19620	6.0
231.17505	10.7
233.19051	6.2
253.41228	4.5
304.22424	5.0
379.21454	5.7
414.86804	5.4
421.34808	30.2
439.35522	20.2
453.33148	4.9
457.36465	6.5
504.65063	4.5
579.36847	8.8
597.37903	35.6
615.39227	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81005	3.4
63.25963	4.0
67.05496	8.5
69.07081	7.7
81.07069	24.4
83.08578	6.2
85.02905	9.8
93.07065	8.4
95.08609	64.4
97.10175	6.9
105.07040	26.5
107.08619	35.0
109.10140	39.4
119.08587	35.6
121.10166	39.5
123.11693	7.8
131.08589	7.8
133.10135	31.3
135.11697	26.1
141.01834	9.6
145.10143	22.8
147.11700	30.8
149.13240	17.7
157.10168	7.8
159.03014	4.5
159.11658	34.7
161.13245	24.0
163.14845	15.6
164.62697	5.2
171.11621	5.4
173.13260	28.1
175.14839	21.6
177.16393	6.4
187.14861	24.4
189.16415	46.8
191.17978	30.5
201.16385	6.3
203.17969	7.2
213.16406	6.4
215.17911	17.4
217.19493	5.0
217.23399	4.2
221.02719	4.8
227.18019	5.5
229.19620	6.0
231.17505	10.7
233.19051	6.2
253.41228	4.5
304.22424	5.0
379.21454	5.7
414.86804	5.4
421.34808	30.2
439.35522	20.2
453.33148	4.9
457.36465	6.5
504.65063	4.5
579.36847	8.8
597.37903	35.6
615.39227	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60869	6.7
55.05504	7.2
59.45196	7.7
67.05515	12.5
69.07071	10.0
71.08605	9.1
77.16549	7.2
81.07059	15.1
93.07084	11.5
95.08607	19.7
107.08609	9.7
114.48746	7.6
121.10142	16.9
131.08543	10.0
138.59813	8.4
147.11617	8.9
177.10733	8.2
189.74646	8.1
398.49786	8.5
474.36441	10.1
615.49945	100.0
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
55.05524	5.7
57.03442	1.5
57.07084	3.7
58.35390	0.7
67.05510	15.6
69.07082	10.7
71.04982	0.8
71.08640	1.6
79.05500	8.9
81.07069	16.7
83.08627	5.3
85.06558	1.0
91.05484	5.8
93.07061	11.1
95.08608	17.5
97.10190	3.8
99.08044	0.8
105.07021	7.1
107.08597	10.6
109.10190	7.1
111.08102	1.1
117.07006	1.9
119.08596	9.3
121.10166	6.7
123.11700	1.9
131.08578	5.9
133.10133	6.9
135.11717	5.3
137.13290	1.5
145.10124	7.8
147.11713	4.9
149.13300	4.0
159.11694	4.2
161.13235	4.3
171.11722	1.9
173.13310	1.3
175.14886	5.3
185.13232	1.5
187.14877	3.6
189.16412	1.7
193.03177	0.8
201.16396	1.0
203.17957	0.9
215.17909	1.9
229.19609	1.0
245.18991	0.8
245.22615	1.0
261.22043	0.8
337.27451	1.1
365.01563	1.0
523.45111	1.5
597.49261	6.1
615.49847	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96573	4.9
59.95771	0.9
67.35735	0.8
74.19974	1.0
74.64202	1.0
84.96033	5.1
89.07612	1.0
92.21421	1.2
98.97594	4.9
106.00990	0.9
116.98647	3.7
124.99166	2.0
128.98590	1.5
131.00198	1.5
134.99692	1.2
140.11774	0.9
140.98662	1.8
143.00185	8.2
144.98085	5.3
146.99669	1.4
149.01295	1.5
158.99673	1.8
161.01228	10.8
162.99174	5.5
167.02223	1.1
169.95724	1.0
172.94283	1.5
173.01266	1.8
182.99677	7.3
191.02362	1.1
198.95825	2.1
201.00697	13.4
201.42126	1.0
203.02318	1.5
209.20714	1.0
219.01746	1.3
224.97321	1.6
225.11848	1.0
228.96794	1.2
240.96992	6.4
242.98468	4.7
246.95961	4.9
264.96906	16.4
282.97940	35.4
300.99057	17.6
317.17908	31.8
335.18869	14.2
357.01712	3.9
375.02789	1.9
391.22424	1.3
482.07532	1.0
599.22595	1.2
617.23041	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51979	1.7
53.03959	3.5
55.05511	2.2
55.24763	1.7
67.05509	4.8
69.03117	1.7
69.03427	17.6
70.06600	9.4
71.04987	3.1
72.08147	4.1
73.02908	4.3
81.03421	28.0
83.04989	2.3
84.08134	2.0
84.71992	1.8
85.02910	49.7
85.06541	4.5
86.09740	2.9
87.00820	14.8
92.20966	2.0
93.07046	3.6
95.08604	34.0
97.02897	36.9
99.04473	25.7
100.97476	1.8
103.03944	14.5
105.01859	21.8
105.06993	2.7
107.08620	2.7
109.02880	79.8
113.06030	1.9
119.08578	3.1
121.10147	3.4
123.08075	13.7
127.03912	100.0
129.01854	9.0
129.10242	3.4
135.11703	4.8
145.02853	2.6
145.04979	12.6
147.02925	3.3
147.11690	3.6
149.09605	15.1
159.02892	14.8
161.13298	3.1
163.05972	4.1
165.12689	2.1
177.05484	12.7
189.12735	10.5
207.13774	20.5
213.03951	17.8
231.04987	25.7
249.06090	9.9
253.07080	2.9
291.07172	9.4
307.10760	2.6
355.65677	2.0
357.08289	2.6
375.09137	18.5
393.10208	24.3
396.34366	2.0
462.71353	2.1
599.23059	2.6
617.25055	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	617.339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92869	0.4
59.50773	0.5
61.02937	1.3
68.05035	5.8
70.06597	100.0
72.08170	0.9
73.02927	1.0
85.02921	1.0
85.86308	0.5
86.06068	28.0
86.09711	22.2
91.03970	2.8
97.02899	2.5
98.06059	8.8
114.05547	2.2
120.08119	0.8
126.05544	3.6
128.07114	3.1
128.10715	1.1
129.10251	0.9
132.10222	0.7
132.90681	0.5
139.29652	0.6
142.04997	1.0
145.04919	0.6
153.13725	0.6
167.15417	0.6
181.13396	1.0
183.11301	1.0
183.14925	15.0
199.14479	2.3
211.10831	0.7
211.14392	9.8
211.15952	0.6
227.13969	1.9
245.14954	63.9
271.47281	0.6
287.16138	3.5
342.20184	12.0
407.20233	25.5
455.28656	20.0
497.29971	1.2
504.25470	6.5
569.23743	0.6
617.33960	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	617.405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50215	2.2
53.00324	2.6
55.05512	6.5
57.03446	2.9
57.07087	3.5
58.46509	2.5
59.15528	2.3
61.02928	5.4
61.52943	2.4
67.05514	23.5
69.03423	17.2
69.07069	23.9
69.76561	2.3
71.24528	2.8
72.88847	2.4
73.02940	3.1
73.95169	2.2
79.05488	5.5
81.03424	11.0
81.07057	56.0
83.04992	3.8
83.08635	11.9
85.02907	70.4
85.06575	2.9
85.35611	2.7
87.04447	3.3
93.07048	17.6
95.04941	3.0
95.08604	40.3
97.02907	19.1
97.10233	2.8
99.04436	3.1
99.08097	16.7
100.02495	2.8
103.03986	2.9
105.07032	11.6
107.08597	30.3
109.02866	5.1
109.06537	4.8
109.10162	100.0
111.08093	4.5
117.07011	3.0
119.08569	26.9
121.10124	29.2
123.11684	12.8
125.09637	3.7
127.03927	14.6
131.08571	10.5
133.10168	19.7
135.08044	4.5
135.11670	13.4
143.08528	11.7
145.04967	3.5
145.10129	20.4
147.11711	23.9
149.09633	6.9
149.13235	11.1
150.94254	2.9
157.10135	14.4
159.11655	20.5
161.13231	12.2
165.12631	3.1
169.10127	5.2
171.11697	21.2
173.13234	19.8
175.14883	19.1
177.05409	9.6
183.11720	6.5
185.13297	16.9
187.14876	12.3
195.53340	2.6
197.13240	6.4
199.14857	6.6
201.12828	3.4
201.16364	4.8
203.14285	4.3
204.88480	2.6
205.15948	3.5
209.13206	10.2
211.14832	10.4
213.12704	3.1
213.16391	4.9
223.14844	3.2
225.16348	12.9
227.17937	16.6
231.28682	3.0
237.16338	5.8
239.17911	5.2
241.19528	11.4
243.17484	4.0
245.18944	6.4
251.18130	4.7
253.19406	5.5
255.17683	3.1
265.19611	4.3
267.21060	4.0
269.19031	9.9
271.20609	5.4
279.21130	5.2
293.22565	4.8
309.22101	3.6
311.23636	6.6
313.96207	3.1
319.23926	2.9
393.31555	3.6
401.32016	5.6
419.33051	38.7
437.34070	62.5
455.35156	23.1
463.08832	3.3
599.39423	26.3
617.25940	4.4
617.41754	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	617.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44046	1.5
55.05524	3.5
56.71664	1.7
57.90350	1.9
67.05502	12.2
69.03429	3.4
69.07063	12.9
70.06595	4.5
71.04990	16.6
79.05486	2.5
81.03413	2.0
81.07075	17.9
83.08645	4.0
85.02907	26.4
86.09713	2.5
91.05473	3.6
93.07055	12.5
95.04971	3.3
95.08620	30.7
97.02870	7.2
99.04463	2.5
99.08096	3.6
105.07009	14.7
107.08595	30.5
109.02892	3.2
109.06526	3.4
109.10159	69.1
119.08578	25.2
121.06529	3.5
121.10146	33.0
123.08064	2.2
123.11707	29.0
125.09647	2.4
126.05589	2.0
127.03907	8.6
127.11195	41.0
131.08577	3.9
133.06453	2.6
133.10121	20.5
135.08046	5.2
135.11732	18.0
137.13252	3.1
141.12732	9.4
143.08635	7.6
145.10110	12.8
147.08070	3.8
147.11649	21.5
149.09605	4.3
149.13234	11.0
157.10114	8.9
159.08089	3.0
159.11681	23.4
161.09615	3.8
161.13237	12.2
163.11121	3.5
163.14810	3.0
165.12720	2.9
169.10086	4.3
171.11678	10.4
173.09676	3.3
173.13281	21.0
175.11243	2.2
175.14766	7.9
177.05568	2.2
183.11693	11.5
185.13278	8.5
187.14857	13.6
189.12808	5.1
189.16388	5.0
195.11757	3.2
197.13315	4.7
199.14789	12.3
201.12691	16.6
201.16434	9.4
203.14349	3.8
209.13327	3.5
211.14839	4.6
213.16344	4.2
215.14328	13.7
215.17998	3.7
217.19502	2.9
223.14886	3.9
225.16309	3.1
227.17850	4.8
239.17914	2.6
241.15848	2.3
243.17419	2.2
251.17967	8.9
269.22522	3.0
271.20444	2.8
273.21912	2.3
409.34421	2.7
419.33051	27.6
437.34128	100.0
454.71017	2.4
455.35168	69.7
581.37952	2.6
599.39392	21.4
617.40552	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	617.4047
Annotation	12-O-Tetradecanoylphorbol 13-acetate
Peak:m/z	Relative Intensity
50.15157	4.5
50.61507	4.6
65.33295	4.9
67.05497	11.2
69.07058	13.2
71.04978	26.7
75.55866	4.8
81.07054	32.5
83.08638	6.7
85.02899	35.9
89.56579	6.2
93.07040	10.0
95.08608	63.4
105.07034	13.3
105.58799	4.7
107.08599	56.3
109.10148	66.2
119.08585	33.3
121.10134	35.9
123.11724	58.8
125.09632	12.3
127.11204	22.2
133.10129	29.7
134.39415	5.1
135.11687	23.3
137.13261	9.1
141.12743	100.0
143.10638	10.2
145.10121	13.3
147.11723	26.2
149.13272	30.7
159.02933	6.3
159.11728	26.1
161.13229	29.9
163.14809	21.8
171.11652	8.0
173.13240	12.4
175.14813	11.6
177.16373	10.5
183.11635	7.0
185.13304	12.0
187.14818	12.7
189.16400	12.1
197.13266	9.6
201.16386	9.2
203.17958	22.2
211.14911	6.2
213.16376	9.7
215.17940	7.5
217.19577	7.9
225.16335	8.0
227.18021	6.3
229.19447	6.9
237.16377	11.7
239.17972	6.7
251.17827	5.6
264.98471	5.7
279.21069	6.7
295.20572	7.3
297.22174	21.5
405.35486	6.6
414.49188	5.6
419.32968	32.9
423.36179	30.1
437.34277	98.9
455.35501	7.7
581.38751	11.5
584.70013	6.4
599.40253	41.0
617.40601	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	617.4045
Annotation	12-O-Tetradecanoylphorbol 13-acetate
Peak:m/z	Relative Intensity
55.05524	6.7
65.03914	3.6
67.05505	25.3
68.50536	3.3
69.03424	8.3
69.07058	30.4
73.02927	3.7
79.05503	9.2
79.78242	3.8
81.03403	5.8
81.07072	41.2
83.08584	6.3
85.02903	47.3
91.05473	4.5
91.46855	4.2
93.07052	19.9
95.08604	44.7
97.02869	13.7
103.03806	3.7
105.07047	23.6
107.08582	33.3
109.02863	4.4
109.10159	84.5
113.37328	3.6
119.08580	32.6
121.10142	43.6
123.08112	4.2
123.11702	7.7
127.03902	9.2
127.11234	4.7
131.08601	6.9
133.10136	34.6
135.11708	21.4
136.90128	4.2
143.08508	12.8
145.05043	4.6
145.10133	29.4
147.11671	24.1
149.13306	18.5
157.10115	6.9
159.11613	26.9
161.13217	18.1
167.08600	3.7
169.10126	7.1
171.11646	30.1
173.13264	31.1
175.14761	15.0
183.11678	17.9
185.13231	17.9
187.14761	14.8
195.11617	4.0
196.41003	3.5
197.13298	15.4
199.14880	15.0
201.16389	4.6
209.13220	8.0
211.14784	6.6
213.16409	9.2
217.15936	4.3
223.14793	7.0
225.16309	13.9
239.17970	6.0
241.19455	13.5
243.17511	4.2
253.19461	14.9
265.19479	8.1
267.21179	6.4
279.21234	6.3
281.22662	7.1
301.07074	5.7
311.23822	7.5
391.34036	4.6
401.31808	9.1
419.33206	47.3
437.34097	100.0
455.35168	42.1
599.39044	20.8
617.41547	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	617.4048
Annotation	12-O-Tetradecanoylphorbol 13-acetate
Peak:m/z	Relative Intensity
51.13598	1.9
53.44180	2.1
53.70361	1.8
55.05519	2.9
59.95429	2.0
61.02933	2.9
64.21253	1.8
66.81750	1.9
67.05518	17.4
69.03426	12.7
69.07068	15.6
70.04506	2.1
71.04970	2.8
73.02914	2.5
75.42179	2.3
79.05512	4.9
81.07066	20.5
83.08624	3.1
85.02911	26.6
87.04486	3.8
91.05475	3.1
93.07079	17.3
95.08614	34.6
97.02883	11.2
97.10210	4.3
105.07048	21.4
107.08598	27.4
109.02906	3.4
109.10162	59.7
117.07064	3.0
119.08577	38.8
120.41268	2.3
121.10130	26.8
123.11711	5.4
127.03936	9.3
131.08568	10.9
133.10126	19.9
135.11691	9.8
143.08563	9.9
145.10129	21.1
147.11697	27.0
149.09691	3.8
149.13272	11.9
155.08501	3.3
157.10170	16.2
159.11693	28.6
161.13257	17.4
163.14799	4.1
169.10146	10.6
171.11690	27.0
173.13300	18.4
175.14865	10.2
183.11644	17.1
185.13295	14.2
187.14851	16.1
189.16428	9.9
195.11694	11.0
197.13280	4.0
199.14825	15.3
201.16411	10.9
203.17949	2.6
209.13316	4.5
210.87952	3.0
211.14862	8.6
213.16364	16.4
215.18022	2.9
217.15836	5.7
221.13219	3.2
223.14886	9.2
225.16362	4.4
227.17982	12.4
231.17433	4.9
235.14780	4.1
237.16408	5.9
239.17897	9.7
241.19595	5.6
251.18030	5.8
253.19543	5.7
257.18976	3.6
261.16132	2.6
263.18179	2.9
265.19431	3.2
266.20328	3.2
267.21124	8.4
269.18802	3.3
271.20724	8.2
279.21075	3.3
283.20737	4.7
291.21130	5.1
292.21936	4.8
293.22333	2.9
297.22064	2.6
309.22183	4.3
319.24353	3.5
337.25223	3.5
381.28088	2.7
401.32059	16.0
419.33075	77.0
437.34192	100.0
455.35254	43.8
526.53802	2.5
581.38031	10.4
599.39423	33.9
617.40747	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	617.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	3.7
57.34138	1.9
67.05521	18.9
69.03426	11.5
69.07065	20.9
70.06591	3.6
72.08173	3.4
72.61898	2.4
79.05499	10.0
79.21684	2.3
80.43412	2.5
81.03439	3.8
81.07056	35.5
83.04984	5.5
83.08642	2.9
85.02907	34.6
91.05463	5.1
93.07037	22.3
95.08603	48.9
97.02898	9.9
97.10127	2.8
99.08098	4.6
105.07023	23.3
107.08590	38.5
109.02847	2.7
109.06471	3.1
109.10159	93.5
109.11377	3.6
111.58015	2.4
114.09139	2.9
117.07031	3.6
119.08584	42.3
121.10148	32.0
123.08061	2.6
123.11678	18.6
125.09620	5.2
127.03966	4.7
127.11185	3.3
129.07002	2.9
131.08565	12.6
133.10133	32.5
135.11707	22.8
136.61099	2.4
137.13400	2.9
143.08566	10.7
145.10103	29.9
147.11690	32.6
149.13271	11.4
155.08485	4.2
157.10107	23.8
159.11717	27.3
161.09648	4.1
161.13272	25.2
163.14871	4.7
169.10083	5.0
171.11678	20.1
172.52597	2.7
173.09648	3.3
173.13264	23.4
175.14832	14.1
183.11699	13.9
185.13280	15.9
187.14812	21.4
189.16364	12.2
195.11710	5.4
197.13266	6.4
199.14851	14.0
201.12755	3.5
201.16415	14.2
203.14272	4.0
203.17909	5.8
209.13376	3.6
211.14865	9.4
213.16414	12.3
215.17944	3.5
215.92395	3.0
217.15916	6.2
221.13272	3.7
223.14784	10.6
225.16278	5.7
227.17976	5.4
231.17398	5.4
235.17026	3.3
237.16438	10.4
239.17845	8.8
241.19528	4.3
243.17525	3.1
251.17969	3.3
253.19485	4.3
255.21030	3.7
267.21121	6.5
279.21069	3.1
401.32199	20.5
419.33054	73.1
437.34177	100.0
442.77582	3.2
455.35193	50.1
517.96814	2.9
581.38190	10.8
599.39386	27.9
617.30719	2.9
617.40381	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	617.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00317	2.4
53.89040	1.3
55.05517	6.6
57.03439	2.7
57.07073	3.0
58.44154	1.3
61.02911	3.3
67.05504	9.9
69.03426	17.4
69.07076	12.8
71.05002	27.1
73.74947	1.4
77.80994	1.5
79.05505	6.3
81.03412	3.1
81.07058	22.5
83.08614	9.1
85.02419	2.9
85.02904	37.8
85.25352	1.7
91.05481	3.4
93.07035	17.9
93.94359	1.5
95.08608	70.5
97.02892	14.2
97.10181	3.0
99.04466	2.7
99.08122	3.1
105.07008	11.0
105.82317	1.6
107.08593	37.3
109.02886	2.5
109.10153	40.0
111.08100	2.2
117.07011	6.6
119.08570	24.7
121.10128	30.8
123.08052	3.0
123.11706	31.9
125.09628	3.6
127.03929	9.2
127.11179	48.1
127.24142	1.5
129.06996	7.6
131.08562	10.7
133.10121	17.7
135.11659	19.6
137.13281	6.5
141.12740	15.8
143.08514	17.6
143.10651	2.0
144.80000	1.6
145.04916	3.0
145.10109	25.3
147.11673	21.6
149.13225	9.7
155.08578	11.2
157.08936	2.0
157.10126	23.3
159.11685	27.1
161.09621	2.4
161.13268	14.6
163.11107	2.0
163.14827	8.8
167.14293	1.5
169.10135	14.8
171.11658	25.9
173.13281	17.7
175.11124	1.8
175.14822	14.3
181.10094	7.5
181.15865	1.5
183.11737	17.4
185.13232	20.5
187.11246	1.7
187.14824	8.2
189.16330	3.4
195.11710	12.5
197.13255	15.5
199.14833	19.4
201.12733	3.0
201.16339	9.5
203.14268	1.7
207.11732	2.4
209.13217	12.2
211.14845	12.8
213.16451	13.3
215.17920	20.1
219.17407	1.7
221.13327	2.4
221.19101	2.9
223.14833	13.1
225.16318	12.0
227.17953	7.5
235.14758	3.0
236.15633	2.1
237.16365	9.0
239.17986	2.9
243.17369	12.1
243.21068	2.8
249.16364	7.7
251.17940	26.7
253.19536	3.0
255.17340	2.1
261.16040	2.1
261.18512	8.7
261.22226	1.7
265.19492	3.2
267.21011	2.0
269.18942	3.0
277.19504	2.7
279.21002	5.6
283.20654	2.0
291.21008	2.7
292.21841	6.4
293.22714	6.2
297.22025	1.6
301.21149	1.7
311.23892	3.2
321.25610	1.6
331.16129	1.6
333.25439	2.7
343.26318	8.3
351.26926	2.9
363.26907	1.7
381.28168	2.0
401.31738	3.5
403.66397	1.6
409.34494	9.9
412.09036	1.8
419.33041	52.5
423.23312	2.2
427.64166	1.7
437.34164	100.0
439.35916	1.9
455.35199	61.3
479.35422	1.9
552.92029	2.0
563.37103	3.3
581.38190	14.6
599.39343	20.4
617.40533	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	617.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59159	2.0
53.91370	2.1
55.05503	4.6
57.03450	2.8
62.82614	1.8
67.05516	24.5
67.05823	2.7
69.03436	17.3
69.07068	18.1
75.72345	1.9
79.05494	5.7
81.03412	4.9
81.07060	36.4
83.08627	4.7
85.02912	45.6
85.17854	2.4
87.04486	4.3
91.03966	2.2
91.05470	5.6
92.21117	5.7
93.07032	14.1
95.08601	41.6
97.02898	19.2
97.06514	3.7
99.04475	4.4
105.07030	5.3
107.08595	38.5
109.02859	5.2
109.10152	61.9
110.52124	2.3
111.08095	3.0
119.08585	24.0
121.10126	21.8
123.11712	5.0
123.59542	2.5
127.03934	19.5
131.08575	4.2
133.10139	22.9
135.11668	11.3
143.08574	4.3
145.10117	21.4
147.11678	25.6
149.13237	5.2
155.08563	3.1
157.10094	14.7
159.11731	19.2
161.13268	15.1
169.10144	12.2
171.11726	18.8
173.13217	13.7
175.14835	9.5
183.11678	17.9
185.13289	19.9
187.14796	4.5
195.11719	11.4
197.13249	10.1
199.14821	13.7
209.13156	4.8
211.14824	12.0
213.12646	2.6
213.16403	4.0
215.17924	3.1
223.14716	9.9
225.16333	4.1
227.17880	11.7
235.14662	3.7
237.16380	17.7
239.17950	2.9
241.19490	5.1
249.16234	3.4
251.17871	10.5
253.19563	17.6
263.18051	4.1
265.19489	11.2
266.20465	2.9
267.21014	5.1
269.18857	9.3
277.19388	6.0
279.21033	9.5
283.20584	3.5
290.20169	3.2
291.21011	4.3
292.21832	5.8
293.22552	5.2
297.21933	3.6
301.41351	2.6
309.21991	15.7
310.23026	4.2
317.22418	3.6
345.25858	3.5
363.26587	2.6
401.32050	20.7
419.32986	78.1
437.34140	100.0
455.35034	44.1
501.35315	2.8
581.37756	9.5
599.39655	37.1
617.40424	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	617.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84552	3.4
56.44086	3.1
56.52859	3.3
58.38331	3.6
67.05521	8.8
69.03434	15.9
69.07066	22.0
77.36389	3.8
79.05495	5.2
81.07056	36.1
85.02914	33.5
93.07057	29.7
95.08620	36.9
97.02874	5.8
105.07034	18.8
106.37984	4.3
107.08586	40.1
108.12812	3.7
109.10169	70.0
110.23330	3.7
116.40124	4.1
117.15519	3.5
119.08585	25.9
121.10126	20.8
123.11715	5.8
127.03892	4.7
131.08582	6.7
133.10124	18.3
135.11653	16.9
145.10129	23.4
147.11693	23.6
149.13277	8.0
157.10139	16.1
159.11678	19.4
161.13268	7.3
163.46460	3.8
169.10158	18.9
171.11722	19.3
173.13246	19.0
175.14790	5.7
183.11629	16.5
185.13208	8.3
187.14903	6.9
197.13301	9.6
199.14853	7.6
207.11775	4.4
209.13313	9.0
211.14876	6.1
213.16406	8.5
223.14830	8.5
225.16382	16.1
227.18048	8.2
237.16357	9.5
239.17839	6.3
243.80440	4.4
249.16248	7.6
251.17896	5.3
253.19479	16.0
265.19614	17.1
267.21152	4.9
269.19107	5.5
279.21237	5.5
291.21066	6.6
309.22202	8.5
310.22852	7.1
374.64587	4.6
401.31934	15.5
419.33084	66.8
437.34149	100.0
455.35229	46.9
519.32458	5.3
599.39465	54.5
617.40387	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	617.406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89291	2.0
53.03945	2.5
54.92386	2.3
55.05505	4.3
57.03452	4.6
57.07072	2.6
59.64201	2.2
61.02919	13.5
67.05515	37.5
69.03439	31.8
69.07063	18.9
69.29723	2.3
71.04984	6.0
73.02901	4.1
78.14098	2.7
79.05482	14.9
81.03425	17.1
81.07072	37.1
83.08602	7.0
83.70415	3.2
85.02908	99.4
85.06574	4.1
91.03944	3.4
91.05495	5.4
93.07056	29.5
95.04974	3.2
95.08610	43.0
97.02897	27.9
97.10172	4.8
99.04457	4.6
105.07051	19.8
107.08603	48.4
109.02888	13.0
109.10165	56.9
119.08594	32.0
121.10151	28.1
123.11721	17.2
125.09658	5.0
127.03903	27.9
131.08571	16.9
133.10101	19.1
135.11668	18.2
143.08531	5.5
145.04932	15.4
145.10135	17.8
147.11711	26.7
149.13271	16.7
151.14746	4.0
157.10098	19.5
159.11668	25.8
161.13283	20.7
163.14758	6.2
169.10155	11.0
171.11659	12.6
173.13281	20.4
175.11140	3.7
175.14810	21.0
177.16357	2.8
177.66756	2.6
178.85086	3.0
183.11682	17.0
185.13229	21.1
187.14864	16.4
197.13275	10.9
199.14830	13.4
201.16368	11.2
211.14838	5.4
213.16368	6.8
215.17856	3.5
217.15851	3.0
220.00789	2.7
223.14757	5.8
225.16461	5.6
227.17938	11.5
231.17419	3.3
237.16348	4.1
239.18062	5.9
243.17590	3.6
271.20569	5.3
279.21014	5.1
283.20584	4.4
285.21979	3.9
291.30188	3.7
293.22766	6.5
293.28333	6.0
295.20996	4.5
295.24316	12.5
301.06796	3.7
309.21948	5.8
311.23724	12.8
313.25092	5.8
379.29758	6.3
401.31561	4.7
419.33063	81.1
437.34186	100.0
455.35062	29.8
519.33405	5.4
581.38013	4.5
593.44751	3.5
599.39355	48.7
617.27649	4.0
617.41339	59.2
628.95801	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	617.4045
Annotation	12-O-Tetradecanoylphorbol 13-acetate
Peak:m/z	Relative Intensity
52.16619	4.4
55.05521	6.5
65.64036	4.7
67.05511	21.5
69.07044	10.5
74.02013	5.7
81.07045	44.6
85.02908	29.3
93.07039	28.6
95.08611	100.0
105.07045	39.2
107.08593	64.6
109.10163	99.8
119.08580	63.6
121.10121	68.7
123.11712	46.1
127.49507	6.5
133.10115	67.5
135.11710	56.3
135.51965	5.4
137.13257	6.7
141.01805	20.8
145.10132	22.0
147.11664	50.3
149.13249	68.0
151.10976	5.4
159.02864	34.1
159.11693	38.7
161.13252	56.5
163.14775	43.6
168.02376	5.2
173.13242	31.3
173.67630	5.9
175.14891	41.8
177.12900	6.0
177.16389	26.3
185.13257	10.7
187.14828	31.2
189.16338	48.4
191.17883	8.0
199.14897	7.2
201.16411	40.4
203.17963	57.9
215.17935	21.5
217.19521	28.4
219.17348	6.5
227.17911	10.5
229.19518	33.4
243.21024	11.4
247.20390	9.5
255.20972	8.0
290.61172	5.6
365.19614	6.6
405.35004	23.7
423.36169	89.5
437.34192	10.2
441.37204	55.1
541.93793	6.4
581.38007	12.7
599.39478	83.1
617.40887	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	617.4046
Annotation	12-O-Tetradecanoylphorbol 13-acetate
Peak:m/z	Relative Intensity
55.05518	5.4
56.70944	2.3
61.02934	4.3
61.15622	1.9
67.05508	18.2
69.03426	13.9
69.07082	19.1
71.04963	2.1
79.05476	4.1
81.07066	27.4
83.05008	2.8
83.08626	5.4
84.65144	1.9
85.02908	34.3
87.04443	3.1
89.91250	1.9
91.05459	4.4
93.07034	24.9
95.08603	32.9
97.02888	14.9
99.04453	3.8
104.58155	1.9
105.07026	13.6
107.08625	21.1
109.02896	4.3
109.10172	43.0
115.76508	2.5
119.08580	22.3
121.10126	17.7
123.11710	10.7
127.03932	12.4
129.06990	3.0
130.53320	2.5
133.10132	15.2
135.11679	10.8
143.08536	9.1
145.10110	16.5
147.11693	16.4
149.13292	10.5
157.10144	17.9
159.11723	14.7
161.13301	9.6
169.10124	14.3
171.11624	19.9
173.13223	10.0
175.14792	5.2
176.35011	2.2
181.10094	3.9
183.11719	11.9
185.13283	10.2
187.14819	9.3
195.11702	9.0
197.13251	10.5
199.14830	5.3
209.13231	9.6
211.14844	9.5
213.16330	3.2
221.13351	3.2
223.14793	11.9
224.15617	2.9
225.16379	9.6
227.17897	9.8
235.14742	4.4
237.16342	14.2
239.17957	10.6
243.17340	3.6
249.16350	4.1
251.17961	12.9
253.19456	17.1
255.17415	2.6
260.31284	2.4
263.18137	3.0
265.19260	5.2
267.21216	2.6
269.19006	9.4
271.20560	12.3
272.05188	2.5
277.19510	9.8
279.21063	5.6
283.20651	2.4
286.10602	2.9
288.86215	2.3
291.20926	3.9
293.22662	9.0
295.20633	4.0
301.07034	5.3
309.22162	8.9
310.22864	9.3
311.23740	8.6
401.32120	15.9
419.33057	74.0
437.34149	100.0
455.35184	43.4
574.85577	2.7
581.38367	5.3
599.39417	23.3
617.40686	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	617.4048
Annotation	12-O-Tetradecanoylphorbol 13-acetate
Peak:m/z	Relative Intensity
55.05524	3.9
57.03443	2.0
57.07093	2.3
59.10347	1.8
61.02942	2.4
63.00502	1.7
67.05512	17.8
69.03434	13.0
69.07072	16.8
70.06584	3.7
71.22080	2.2
75.89250	1.7
79.05497	5.3
79.46950	1.7
81.03439	3.1
81.07063	25.1
83.08613	8.2
85.02908	28.8
87.04484	4.1
91.05475	4.2
93.07056	17.7
95.08614	41.7
97.02908	13.1
97.10161	3.9
105.07044	15.2
107.08614	28.5
109.02934	2.0
109.10171	73.1
111.08076	2.8
119.08575	30.5
121.10158	23.8
123.11721	8.6
125.09601	2.6
126.27558	2.3
127.03930	4.2
128.73561	2.0
131.08566	8.9
132.34477	2.2
133.10155	19.6
135.07974	2.7
135.11668	11.3
143.08542	4.3
145.10159	22.1
147.11707	26.8
149.13271	13.4
157.10138	15.5
159.11684	21.2
161.13240	11.1
169.10126	15.3
171.11717	15.6
173.13275	15.6
175.11195	2.8
175.14857	12.1
183.11684	17.1
185.13225	19.1
187.14812	16.3
189.16302	3.3
195.11804	3.5
197.13290	14.7
199.14848	10.9
201.16391	3.5
203.17940	2.6
209.13281	11.6
211.14828	10.7
213.16399	12.2
215.18065	3.5
217.15868	2.9
221.13251	3.2
223.08467	2.4
223.14774	12.6
225.16461	10.8
227.17937	8.6
231.17537	5.2
237.16403	14.0
239.17949	4.7
241.16037	3.0
241.19560	3.7
243.17436	4.3
249.16362	2.8
251.17876	10.9
253.19530	12.8
255.17462	3.0
263.17737	3.7
265.19443	9.7
267.21082	3.9
269.18781	3.1
271.20349	2.4
279.20999	3.3
289.19485	2.6
291.21182	4.7
292.22104	2.4
293.22925	2.9
297.22183	2.9
299.05359	4.6
309.22055	10.0
325.25693	2.1
337.32678	2.0
345.25549	3.2
401.32101	19.9
419.33084	78.6
437.34149	100.0
455.35135	47.6
483.05103	2.6
511.28461	2.4
581.38269	9.4
592.24146	2.5
599.39398	29.4
617.40558	48.0
617.65430	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	617.5236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18616	0.6
51.61954	0.7
63.44854	0.6
76.30803	0.7
80.36724	0.8
81.07082	0.8
87.26966	1.0
88.07645	3.9
92.20956	1.7
102.09168	1.3
107.91811	0.7
143.80240	0.9
242.24864	1.4
256.26520	5.8
270.34045	0.9
336.25085	14.9
338.26831	1.3
449.39709	0.9
617.52246	100.0
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
51.86763	0.5
58.80680	0.6
60.81246	0.5
65.03945	1.0
67.05509	18.4
69.03432	1.4
69.07066	6.2
70.06596	25.9
71.04991	0.7
74.88009	0.5
80.63017	0.6
81.03423	2.2
82.06577	0.9
84.08166	5.1
85.02898	3.6
86.09702	0.8
94.06564	6.9
95.04968	24.2
96.08123	1.1
97.02877	4.4
109.02886	2.8
112.07606	40.0
113.06005	1.3
114.09164	6.1
124.07590	0.7
127.03910	2.8
130.08600	1.2
136.07539	2.5
138.05457	0.7
154.08632	3.3
172.09700	0.7
176.94250	0.6
178.08649	2.3
185.05644	0.8
191.14212	0.8
238.10754	1.1
240.54611	0.6
256.11746	4.8
274.12833	23.0
301.07062	100.0
318.11893	2.8
463.12253	0.9
549.12372	1.2
574.19391	14.8
600.16943	0.9
617.78442	1.4
618.19019	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	618.312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.3
56.89640	0.2
57.18177	0.2
66.85598	0.2
68.35138	0.2
69.03431	0.4
69.45508	0.2
75.18874	0.2
85.02924	1.1
86.71458	0.2
97.02907	2.4
109.10149	0.5
115.03931	0.3
117.03381	1.1
119.08599	0.3
121.10094	0.3
124.78432	0.3
127.03857	0.3
128.40216	0.2
131.39851	0.3
135.11737	0.3
137.05962	1.6
145.02852	11.7
145.10193	0.3
149.05977	0.3
175.07552	0.3
177.05469	100.0
189.05502	0.4
204.68192	0.3
205.05121	0.3
217.08604	0.3
231.06514	10.0
245.07965	0.4
269.36200	0.2
273.07504	0.4
279.91843	0.3
291.05505	0.4
291.08652	8.1
309.09683	30.5
317.38998	0.3
438.34250	0.3
600.39557	0.9
618.41333	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	618.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02665	0.3
69.03423	0.4
89.03888	0.4
97.02332	0.6
97.02898	10.4
117.03368	3.1
117.95202	0.3
145.02859	28.8
149.02290	0.5
149.05969	1.5
157.06512	0.4
165.40089	0.3
167.03407	4.8
175.07553	0.4
177.05472	100.0
186.05612	0.3
189.05469	6.6
189.09229	0.4
199.07573	0.4
202.69038	0.3
215.07030	1.2
217.08606	1.3
221.41643	0.3
227.07031	0.6
245.08153	0.6
266.17438	0.3
273.07614	3.2
291.08640	3.6
309.09750	4.5
339.10666	0.7
398.68289	0.3
510.11163	0.3
590.79572	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	618.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.2
55.05493	0.2
55.59000	0.2
65.82883	0.2
67.05515	0.4
69.03431	1.1
69.07061	0.5
75.30647	0.2
78.72893	0.2
81.07063	0.9
83.55908	0.2
85.02905	1.6
86.66468	0.2
89.03905	0.3
95.08601	1.1
97.02886	2.9
97.99758	0.2
105.07055	0.4
107.08600	0.8
109.10137	1.7
110.10463	0.3
111.41597	0.2
115.03965	1.6
117.03361	0.9
119.08588	1.1
120.08966	0.3
121.10148	0.4
127.03925	0.5
131.08514	0.2
133.10081	0.3
134.10460	0.3
137.06000	2.2
145.02853	12.6
145.10121	0.3
147.11661	0.3
148.12077	0.2
149.05931	0.3
159.11652	0.5
161.05879	0.3
161.13237	0.3
171.04382	0.3
171.11610	0.3
173.11250	0.2
173.13263	0.4
175.07579	0.3
175.14767	0.3
177.05466	100.0
189.05426	0.4
197.05954	0.3
199.14786	0.4
203.07051	0.3
215.07013	0.2
217.08656	0.4
225.16516	0.2
231.06514	10.9
245.08028	0.3
273.07608	0.3
290.53723	0.2
291.08640	12.4
309.09683	28.3
420.33331	1.2
438.34579	1.5
456.35562	0.8
586.36792	0.2
600.39502	0.4
618.40430	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	618.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09104	1.9
55.01862	2.0
55.05518	19.4
57.07072	4.7
57.09646	1.9
67.05499	9.7
69.03416	2.8
69.07063	4.3
70.06602	3.6
79.05518	2.6
80.57890	1.9
81.07066	18.6
83.04981	4.3
83.08614	29.9
85.06557	4.3
88.07629	33.3
89.07938	2.7
91.05487	10.6
93.07038	27.6
95.04965	12.0
95.08591	19.7
97.06538	17.1
101.68659	2.1
102.09164	4.1
105.07037	32.1
107.08591	34.3
109.06525	3.9
109.10193	15.7
109.32403	2.4
111.08090	2.3
113.09644	3.2
117.07029	8.7
119.08575	33.6
121.10120	25.0
123.08062	15.6
123.11677	3.1
125.09617	4.8
129.06989	2.8
131.08519	21.1
132.09335	3.4
133.10098	19.9
135.08061	11.3
135.11696	5.3
137.09615	4.6
139.11194	5.2
142.07747	2.2
143.08574	14.7
144.09343	4.1
145.10130	37.4
147.08003	10.3
147.11697	13.0
149.09653	10.5
151.07532	10.4
151.11148	2.5
155.08597	4.6
155.10751	3.4
156.09377	3.1
157.10143	29.0
158.10904	3.7
159.08046	5.1
159.11635	21.4
160.08809	4.4
161.09641	5.1
163.11176	10.3
165.09096	21.0
167.10628	3.8
169.10156	4.6
171.11649	21.1
172.12570	2.4
173.09578	4.6
173.13258	8.6
175.11153	5.6
179.08549	2.9
179.14301	3.9
181.10020	2.7
181.12242	8.2
183.11691	13.5
185.13295	9.8
187.11128	5.1
187.14883	2.5
189.12860	2.8
191.14365	3.8
193.10320	3.1
193.12115	7.0
194.10971	2.6
195.11621	8.4
197.09557	2.3
197.13266	11.5
199.11188	2.6
203.14294	12.9
207.13828	4.7
208.14519	5.1
209.13187	10.5
211.14844	9.8
213.12793	3.7
213.16293	4.1
221.13350	4.1
221.15309	27.8
223.14819	4.2
225.14804	4.6
227.14438	3.1
233.15433	8.7
234.16273	4.0
242.24799	10.9
243.25101	4.6
247.14688	3.4
247.17026	2.8
256.26395	16.3
257.26712	19.9
267.17310	3.1
272.25784	3.5
273.26300	3.8
284.51196	2.7
287.19980	17.2
291.26981	4.3
299.20090	9.0
325.21362	3.0
337.21680	4.0
352.23926	35.0
365.24509	4.9
439.61053	2.3
472.31793	12.0
525.35712	3.7
538.36487	100.0
582.39972	2.9
582.48871	12.2
600.41315	9.1
618.42279	58.8
618.51257	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	618.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	15.2
57.07082	5.9
59.01578	2.3
59.98992	2.0
60.81799	2.0
67.05515	4.0
67.35258	2.0
69.07076	3.0
70.06584	5.0
79.05492	5.1
81.07069	21.1
83.04961	3.5
83.08626	26.8
84.32031	2.5
88.07621	34.1
91.05495	3.9
93.07047	14.4
95.04945	5.1
95.08607	13.2
97.06528	5.0
102.09162	4.9
105.07037	23.5
107.08605	24.1
109.06519	8.6
109.10139	9.6
110.09171	2.7
117.07049	2.7
119.08528	20.8
121.10114	17.1
123.08062	14.1
123.11631	3.0
125.09630	3.6
129.06938	3.5
131.08578	14.6
133.10147	19.4
135.08023	5.1
135.11676	3.1
139.11176	9.5
143.08598	11.9
145.10112	35.5
147.08052	14.2
147.11641	9.6
149.09550	5.7
151.07567	10.8
156.09277	2.9
157.10117	34.9
158.10925	4.0
159.11681	17.8
160.08820	3.8
161.09618	5.6
161.13243	4.7
163.11191	10.9
165.09102	21.8
167.10663	3.1
169.10123	10.2
171.11693	16.1
172.12466	3.0
173.13290	4.6
175.11156	3.8
181.12225	10.8
183.11700	11.2
185.13268	8.8
187.14771	3.7
189.12732	9.1
193.12332	3.0
194.10875	2.6
195.11620	5.7
197.13254	11.0
199.11229	3.2
199.14803	2.7
201.12820	3.3
203.14313	5.4
207.11845	2.8
207.13736	5.3
208.14592	3.8
209.13245	5.6
211.14822	4.1
213.12930	2.6
213.24112	2.9
221.13249	4.1
221.15312	33.3
223.14900	3.3
225.14690	4.1
233.15271	8.7
234.16185	3.9
237.12775	3.1
242.24821	13.1
243.25058	5.2
247.17126	4.0
256.26352	31.3
257.26620	21.1
268.17978	2.9
271.38699	2.5
273.26245	3.7
287.20010	26.3
290.26846	2.7
299.20071	5.4
310.87363	2.6
325.21661	3.4
337.21646	5.2
352.23972	43.5
365.24579	3.7
456.47226	2.5
472.31488	11.1
538.36530	100.0
547.02307	3.6
582.48663	18.8
618.42108	34.8
618.51147	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	618.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02060	1.2
55.05515	9.4
55.59240	1.2
55.90447	1.5
57.07081	3.6
67.05500	2.8
68.37533	1.3
69.03416	2.2
69.07066	2.5
71.04999	1.7
79.05508	3.1
81.07076	12.6
83.08627	21.0
85.06526	1.7
88.07633	15.7
89.07958	1.7
91.05491	6.4
92.20986	1.9
93.07046	14.3
95.04971	8.1
95.08602	12.7
97.06545	6.8
99.04464	3.3
105.07026	15.2
107.04979	1.4
107.08614	17.1
109.06500	6.3
109.10167	6.6
111.08136	1.8
117.07041	1.7
118.08653	1.6
119.08595	22.5
121.06510	2.6
121.10162	12.3
123.08071	10.5
125.06015	2.4
125.09653	6.2
129.06931	1.9
129.93529	1.4
131.08549	13.6
132.09387	2.4
133.10139	15.7
135.08095	3.1
137.09669	7.3
139.11150	5.9
143.08568	13.4
144.09389	1.7
145.10127	23.3
147.01978	1.5
147.08040	12.0
147.11726	2.9
149.09605	2.2
149.13292	1.4
151.07544	6.2
155.08536	2.8
155.10681	2.3
157.10133	23.0
158.10864	2.6
159.08116	1.9
159.11694	13.8
160.08847	7.6
161.09644	3.6
161.13261	2.6
163.11256	5.1
165.09116	14.2
169.10121	5.6
170.10922	2.5
171.11700	9.2
172.12427	2.5
173.09599	2.8
173.11874	1.5
173.13304	8.6
175.11198	7.7
181.12216	6.5
183.11691	8.7
185.09579	2.0
185.13269	3.7
187.11237	1.6
187.14795	2.8
189.12775	3.0
190.13486	2.8
191.14368	2.5
195.11734	6.2
197.13251	7.7
199.11209	1.7
201.12711	2.4
203.14308	9.3
207.11861	2.4
207.13750	3.0
208.14702	3.3
209.13297	7.0
209.15204	1.5
211.14764	6.4
213.12767	3.1
221.13266	3.1
221.15305	26.8
223.14836	1.6
224.15440	2.1
225.14665	1.6
233.15346	3.4
234.16093	3.5
237.12575	1.6
242.24744	9.0
243.25240	2.9
256.26382	10.2
257.26743	11.2
272.25787	2.0
273.18600	2.1
286.19336	2.9
287.20087	14.6
299.20029	6.8
325.21597	7.0
337.21512	2.7
352.23975	29.9
363.23050	1.6
365.24808	3.0
428.29309	1.9
472.31796	8.4
525.35699	3.5
538.36560	100.0
582.49127	7.6
600.40967	2.2
618.42157	36.2
618.50861	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	618.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33648	4.2
55.05516	35.4
59.32148	4.6
63.72118	4.2
64.13710	4.6
67.05507	11.7
69.03403	6.3
69.07072	10.1
71.04990	4.9
73.69976	6.1
77.96671	5.6
77.97088	6.0
79.05499	11.6
81.07065	44.6
83.04990	7.6
83.08614	42.9
91.05464	10.6
92.20721	5.3
93.07039	31.1
95.05007	8.9
95.08604	32.5
95.33216	6.0
97.06529	23.6
99.08143	6.5
105.07023	46.8
107.08594	48.7
109.10164	13.5
117.07005	9.6
119.08591	54.9
121.10148	44.1
123.08093	8.8
124.25714	5.3
125.09624	10.8
129.06979	6.4
131.08568	28.3
133.10132	37.0
135.08075	11.0
139.11143	10.6
143.08566	33.1
145.10120	52.5
147.08058	7.9
147.11700	24.7
149.09566	7.7
155.08597	6.6
156.09372	9.5
157.10123	46.3
159.08031	7.1
159.11685	24.6
161.09621	6.7
161.13245	7.1
167.10646	9.9
169.10106	23.4
170.10909	6.8
171.11671	28.2
175.11186	6.9
179.14343	7.3
181.10138	6.7
181.12123	6.4
183.11708	11.8
185.13240	12.0
187.11299	6.5
187.58641	6.4
191.14342	7.5
195.07965	5.5
195.11696	13.1
197.13219	31.5
207.11691	7.2
209.13211	20.9
211.11157	6.5
211.14803	10.8
215.14322	9.8
221.13353	8.4
221.15312	13.3
223.14897	7.6
233.15340	31.1
235.14784	10.5
255.17451	10.5
270.19827	6.3
290.26794	10.4
383.25641	13.8
410.35269	6.5
600.40930	10.2
618.42548	100.0
618.50940	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	618.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	23.6
69.07059	15.3
79.05499	13.1
81.07059	47.9
81.19719	12.6
83.08631	26.6
86.06042	12.0
87.04469	60.0
88.07635	12.8
91.05453	13.8
93.07043	28.3
95.04978	18.7
95.08613	21.3
97.06526	16.2
104.07107	99.2
105.07040	61.6
107.08609	60.7
119.08574	55.6
121.10113	29.4
125.09615	14.8
131.08600	12.7
133.10107	49.8
143.08569	25.0
145.10115	74.7
157.10033	20.0
159.11652	47.1
169.10149	15.4
169.41354	13.4
171.11713	24.1
181.12270	16.0
185.13213	20.9
193.62010	13.3
195.11784	21.2
197.13272	27.4
199.01120	14.0
209.13333	17.3
211.14891	14.4
233.15404	20.5
291.27261	15.0
383.25714	22.7
577.20886	18.6
582.42084	12.8
618.21533	23.2
618.36194	100.0
618.42938	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	619.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	2.6
54.61189	1.0
55.01879	1.6
69.03435	10.5
70.06588	2.0
73.02911	2.1
79.05483	6.9
81.03435	12.9
85.02898	18.3
86.09701	1.5
87.00840	11.3
87.01286	1.2
97.02905	10.9
98.96682	1.3
99.04443	4.9
103.05492	1.2
105.01857	6.4
105.07040	5.0
107.04966	24.5
109.02898	10.9
115.05489	1.5
117.07011	1.7
119.08614	2.1
124.05234	4.9
125.05955	5.1
127.03918	15.8
129.07043	5.2
131.04904	1.7
132.05690	2.8
132.90407	1.0
133.06526	9.6
137.05937	5.6
145.04938	2.3
147.08051	7.9
149.11450	1.1
157.06497	1.3
159.02872	4.1
159.08066	5.4
161.05975	14.2
167.07031	100.0
169.06499	4.6
171.08005	2.3
175.07541	68.2
185.32927	1.2
187.07536	11.2
191.07053	12.5
193.08600	28.4
199.07523	20.2
201.09067	2.3
215.06883	1.6
215.08696	1.6
217.08585	1.8
219.08275	1.3
231.08028	2.3
232.08858	1.3
233.09549	7.6
243.07932	1.9
250.09950	1.8
257.05945	1.7
260.08337	2.5
261.09100	12.4
262.09763	1.5
269.55551	1.3
277.08694	2.1
278.09396	4.5
281.11679	6.1
288.07736	2.0
289.08517	11.4
290.09283	4.8
291.09979	1.7
293.11700	5.2
294.08820	1.5
306.05667	1.5
306.08795	7.1
307.09576	2.8
309.11279	2.8
321.11230	11.6
322.11972	2.9
338.11652	4.4
341.13910	14.5
353.13806	47.0
355.15314	19.9
371.14926	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	619.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84014	1.7
58.98614	1.3
63.47338	1.4
72.74379	1.7
75.34751	2.0
83.25518	1.7
84.59917	1.6
93.07063	2.5
99.04433	1.7
162.96880	1.8
248.93411	2.2
429.21194	1.9
443.22488	2.5
444.18988	4.0
457.20370	7.0
458.21188	7.3
471.21924	10.1
472.22418	8.6
473.19760	3.0
474.20340	2.0
484.18719	2.7
485.19748	4.0
486.20447	10.3
487.21384	2.2
489.22812	3.7
499.21292	15.6
500.22012	3.5
503.24658	3.2
527.21051	10.2
531.23895	12.2
543.23401	2.4
559.23199	51.4
587.22668	17.4
619.25482	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	6.9
62.29968	3.2
63.60103	2.9
69.03429	17.8
70.06598	24.4
72.48211	3.3
73.02905	4.6
81.03432	36.3
84.08129	5.2
85.02900	66.2
86.09705	14.7
87.00838	19.4
97.02908	53.4
97.06509	12.9
99.04439	28.5
103.03930	16.8
105.01843	22.3
109.02879	81.9
109.10184	3.0
119.08559	3.0
120.08096	3.7
122.53703	3.0
127.03915	100.0
129.01804	5.7
129.10222	4.7
145.04956	19.4
147.02870	3.6
153.83200	2.9
154.98174	3.0
159.02898	14.0
167.07043	6.1
177.05611	3.4
187.05922	4.5
209.15419	5.9
213.03983	16.8
231.04910	24.7
252.78963	3.1
291.06976	5.6
353.13864	4.1
375.09152	21.6
388.99573	15.3
393.10199	39.8
399.23358	3.4
402.97150	5.6
407.00500	7.5
533.03326	6.1
619.28577	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	619.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29758	0.9
50.37672	1.0
50.51338	0.9
50.99726	0.9
53.03950	11.3
54.56097	0.9
55.01876	1.8
55.05524	2.4
56.44003	1.2
56.44727	1.1
57.03441	1.6
57.85555	0.9
61.02927	1.3
63.13196	1.0
69.03426	18.4
69.07064	2.5
71.04995	2.4
73.02905	2.9
79.05483	1.2
80.48768	1.0
81.03415	28.5
81.07066	1.4
83.04983	4.6
85.02910	33.2
87.00816	17.1
91.03963	1.4
95.08608	2.3
97.02889	35.2
97.06590	1.3
97.10166	2.5
99.04449	18.1
99.08092	6.4
103.03947	7.0
105.01863	18.6
105.07056	1.3
107.08593	11.9
109.02879	65.3
109.10150	4.7
111.08064	1.6
119.08632	1.6
121.10122	10.7
123.08045	1.2
125.05957	1.4
125.09624	43.7
127.03907	75.0
127.04842	2.6
129.01836	5.5
133.10100	2.2
135.08052	9.4
135.11671	2.3
136.41869	1.2
137.09601	6.2
137.96873	1.1
139.11217	1.5
145.04935	14.0
147.02878	4.9
147.11696	2.1
149.09618	80.8
149.13220	9.9
151.11189	17.9
153.09082	13.8
159.02853	12.9
163.05988	2.0
163.14799	2.9
165.12753	6.0
173.13222	4.6
187.06055	1.9
191.14314	29.5
209.15359	100.0
213.03946	10.2
223.30591	1.2
227.16438	14.9
231.04970	24.4
249.05998	5.3
276.69226	1.3
291.07047	4.7
348.61411	1.4
357.08148	6.1
373.03067	1.3
375.09207	9.1
393.10086	17.6
421.18631	2.3
472.18924	1.4
538.52850	1.3
571.59613	1.4
583.22839	1.4
601.24677	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	619.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43646	3.6
55.05527	7.3
59.10842	4.5
62.96512	4.0
67.05501	9.8
69.03419	20.9
69.07070	21.7
71.04991	19.9
73.02949	4.4
81.03416	8.6
81.07064	31.9
83.08595	5.6
85.02895	43.2
88.74899	4.2
88.84086	5.1
93.07036	10.7
95.08597	48.1
97.02873	9.4
97.10117	4.8
99.04460	5.8
105.07027	20.3
107.08599	37.5
109.02888	8.5
109.10154	62.2
119.08584	19.9
121.10129	30.4
123.11694	22.2
127.03915	27.3
127.11185	28.9
131.08607	10.1
133.10075	17.9
135.11702	10.9
137.13286	8.1
138.39810	4.4
141.12730	6.6
143.08470	7.2
145.10143	25.4
147.11685	23.5
149.13254	18.5
157.10110	5.2
159.11674	29.1
161.13255	23.1
163.14861	4.3
169.10158	6.3
171.11696	19.9
173.13286	23.4
175.14809	9.9
183.11728	10.8
185.13229	25.1
187.14905	23.8
189.16382	6.5
197.13228	4.7
199.14850	11.1
201.16409	7.3
211.14874	9.2
213.16373	9.1
225.16350	7.0
227.17986	18.9
239.17934	10.7
253.19545	10.1
279.21158	4.8
281.22595	6.5
292.64746	4.5
301.07056	73.1
326.44238	6.6
403.33127	7.8
421.34607	75.7
439.35602	100.0
450.93585	4.6
457.36786	34.8
555.15228	5.1
601.40875	36.6
619.41852	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	619.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43646	3.6
55.05527	7.3
59.10842	4.5
62.96512	4.0
67.05501	9.8
69.03419	20.9
69.07070	21.7
71.04991	19.9
73.02949	4.4
81.03416	8.6
81.07064	31.9
83.08595	5.6
85.02895	43.2
88.74899	4.2
88.84086	5.1
93.07036	10.7
95.08597	48.1
97.02873	9.4
97.10117	4.8
99.04460	5.8
105.07027	20.3
107.08599	37.5
109.02888	8.5
109.10154	62.2
119.08584	19.9
121.10129	30.4
123.11694	22.2
127.03915	27.3
127.11185	28.9
131.08607	10.1
133.10075	17.9
135.11702	10.9
137.13286	8.1
138.39810	4.4
141.12730	6.6
143.08470	7.2
145.10143	25.4
147.11685	23.5
149.13254	18.5
157.10110	5.2
159.11674	29.1
161.13255	23.1
163.14861	4.3
169.10158	6.3
171.11696	19.9
173.13286	23.4
175.14809	9.9
183.11728	10.8
185.13229	25.1
187.14905	23.8
189.16382	6.5
197.13228	4.7
199.14850	11.1
201.16409	7.3
211.14874	9.2
213.16373	9.1
225.16350	7.0
227.17986	18.9
239.17934	10.7
253.19545	10.1
279.21158	4.8
281.22595	6.5
292.64746	4.5
301.07056	73.1
326.44238	6.6
403.33127	7.8
421.34607	75.7
439.35602	100.0
450.93585	4.6
457.36786	34.8
555.15228	5.1
601.40875	36.6
619.41852	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	619.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	2.7
57.07073	3.4
59.69440	1.3
61.02925	2.0
67.05494	11.7
69.03427	8.5
69.07070	15.1
69.41697	1.5
71.04996	14.7
74.95883	1.4
79.05489	1.9
81.03441	3.0
81.07063	14.8
83.08613	11.0
85.02910	38.4
91.05482	2.2
93.07044	9.4
95.08602	32.8
97.02895	10.1
97.10164	6.8
105.07027	10.0
107.08598	21.9
109.02842	6.1
109.10159	47.5
111.11712	3.9
111.93312	1.6
117.07003	2.8
119.08548	18.6
121.10142	29.8
123.11711	22.0
125.09592	2.3
127.03917	11.1
127.11196	38.6
129.06970	3.8
131.08574	11.3
133.10121	12.2
135.11694	13.4
137.13258	8.6
139.11147	2.7
141.12735	3.4
141.73125	1.8
143.08560	11.9
143.10628	1.9
145.10121	18.8
147.11664	12.3
149.13254	11.8
155.08542	2.1
157.10126	12.8
159.11685	18.4
161.13255	15.4
163.14766	3.2
169.10081	3.6
171.11687	22.5
173.13271	21.5
175.14841	7.1
177.16299	2.3
183.11737	7.4
185.13252	27.4
187.14767	15.2
189.16431	4.0
197.13254	12.2
199.14754	12.1
201.16394	10.1
203.17969	2.3
209.18805	1.8
211.14819	7.2
213.16342	6.6
217.19551	3.4
223.14848	1.7
225.16367	10.8
227.17967	16.8
239.17938	13.7
241.19662	2.3
245.19089	2.0
246.24165	1.7
251.17850	1.8
253.19499	13.3
257.18887	1.9
267.21091	2.3
295.24103	2.9
301.88397	2.1
403.33505	8.5
421.34695	63.1
439.35742	100.0
449.94757	1.7
457.36826	30.3
547.37823	2.1
583.39758	6.8
601.41125	23.8
619.33411	2.6
619.42212	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	619.4198
Annotation	CHEBI:67985
Peak:m/z	Relative Intensity
55.05516	6.5
57.07081	3.9
62.71253	2.8
67.05515	25.0
69.03425	7.8
69.07058	29.5
71.04990	3.4
79.05500	6.9
79.72355	2.9
81.03432	3.6
81.07068	41.1
82.21922	3.4
83.08627	5.5
85.02901	20.5
91.05483	13.9
93.07044	32.7
95.04981	4.2
95.08607	73.2
97.02879	4.6
97.06501	3.3
105.07020	32.3
107.08590	48.9
108.76123	3.2
109.06507	3.4
109.10154	97.9
110.10413	4.0
111.11732	4.4
112.07596	3.1
113.38113	3.6
119.08582	43.4
121.10142	45.1
123.11733	13.5
129.06992	3.6
131.08568	19.2
133.10141	37.7
135.08052	3.8
135.11682	21.5
143.08563	8.4
145.10109	27.7
147.11691	37.2
149.13264	20.1
155.08643	3.9
157.10101	17.9
159.11633	32.4
161.13306	35.5
163.14847	13.4
169.10141	14.4
171.11662	23.0
173.13277	25.7
175.14812	22.6
175.75160	3.5
177.16408	14.7
183.11691	7.9
185.13258	14.6
187.14793	20.6
189.12790	3.9
189.16344	6.4
191.14223	3.5
197.13206	6.5
199.14899	17.5
201.16368	20.0
203.17950	14.4
209.13142	4.0
211.14876	12.7
213.16377	15.2
215.17955	4.7
217.19577	5.3
223.14902	4.1
225.16283	12.4
227.17940	16.8
231.17471	6.2
237.16370	3.8
239.17836	14.1
243.17357	4.8
243.21127	7.0
250.87166	3.9
251.17944	5.0
253.14066	4.0
255.21027	4.1
259.20572	3.7
267.21106	20.4
274.71442	3.9
293.22168	3.7
337.61588	3.8
403.33398	29.5
421.34647	100.0
422.34839	5.2
439.35736	65.1
480.81015	4.1
510.09387	3.7
583.39990	13.3
601.40869	21.6
619.41345	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	619.42
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	10.5
67.05495	19.8
69.03440	8.7
69.07076	17.5
81.07062	31.3
83.08624	8.5
84.13451	4.0
85.02908	34.5
91.05466	5.9
93.07017	27.1
95.08619	33.9
97.02910	9.1
97.24551	4.2
105.07033	15.0
107.08590	35.6
109.10155	94.1
112.75974	4.1
113.30884	4.0
119.08559	25.9
121.10157	39.3
121.76502	4.1
123.11713	19.8
127.03932	8.3
131.08516	4.9
133.10132	20.5
135.11674	25.3
137.13234	4.8
145.10112	19.1
147.11703	24.0
149.02342	28.9
149.13264	18.5
150.02612	4.8
154.39030	5.1
157.10094	19.1
159.11661	33.3
161.13216	17.5
169.10036	5.7
171.11642	27.8
173.13240	25.2
175.14803	8.1
177.05594	4.4
183.11641	6.7
185.13287	22.7
187.14790	19.9
197.13239	16.6
199.14819	7.8
211.14781	8.6
213.16409	6.7
225.16393	7.0
227.17921	17.0
239.17955	10.7
241.19302	5.9
251.17918	5.9
253.19853	4.8
255.21033	6.8
267.21136	5.5
278.14499	5.0
279.20950	6.5
281.22717	8.4
285.22046	9.6
294.23279	6.0
311.23544	5.6
331.13766	4.8
403.33463	8.2
421.34586	88.8
439.35782	100.0
457.36929	16.7
583.39392	9.4
593.14856	4.4
601.40497	22.8
606.56592	5.2
619.23914	5.9
619.42010	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	619.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	5.0
58.02111	1.9
62.80493	1.7
63.39474	2.0
67.05524	21.7
69.07066	14.2
70.90270	2.2
81.07072	22.8
83.08617	4.9
90.67506	2.2
91.05447	2.3
92.20916	3.0
93.07052	12.8
95.08606	40.3
97.02869	2.3
97.06515	2.7
105.07035	8.8
107.08591	26.5
109.10160	100.0
111.08112	2.5
119.08565	19.5
121.10144	32.5
123.08045	3.0
123.11691	9.9
125.09653	2.7
127.04005	3.5
131.08557	4.3
133.10139	17.2
135.11671	8.9
137.13280	3.1
143.08554	4.9
145.10129	16.7
147.11682	14.2
149.13266	9.5
151.11192	2.7
157.10103	12.6
159.11743	16.4
161.13243	14.7
162.84097	2.1
163.14743	3.0
171.11646	12.8
173.13229	12.3
175.14793	5.3
177.16415	9.9
183.11661	3.2
185.13277	12.9
187.14752	9.1
189.16396	4.6
192.68904	2.1
197.13191	5.2
199.14799	7.6
201.16364	4.9
202.83362	1.9
210.55974	2.4
211.14853	9.5
213.16347	4.1
215.90715	2.3
227.17941	5.3
229.19543	4.2
239.17911	9.9
241.13260	2.8
241.19469	8.5
253.19435	3.5
255.21072	4.8
257.18982	5.2
259.20435	2.4
261.18637	2.8
281.22705	9.2
295.24106	2.8
299.23663	3.3
311.23779	3.8
313.25354	2.7
339.26755	4.3
356.71487	2.4
365.28369	10.5
383.29318	11.8
403.33597	22.5
421.34650	78.1
439.35757	77.6
589.50452	2.5
619.23560	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	620.364
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28039	1.0
55.05513	13.9
67.05509	12.5
68.10328	1.0
68.72689	1.0
69.03422	6.2
69.07076	4.7
79.05494	6.5
81.07063	11.3
83.04990	1.5
83.08618	21.6
85.02882	1.8
91.05466	1.4
93.07046	6.1
95.08604	5.3
97.10165	67.9
105.07003	1.7
107.08594	17.9
108.24030	1.1
109.02893	1.8
109.10154	21.6
110.10498	4.2
111.08077	1.7
117.07047	1.4
119.08569	2.3
121.10161	4.8
123.11698	1.8
125.09627	100.0
127.03884	2.4
133.10112	2.9
135.08017	9.2
143.08583	1.3
143.10689	2.7
146.10550	1.1
147.11687	1.8
153.09113	22.1
158.10414	1.2
159.11676	2.3
161.13211	2.2
171.10182	13.3
187.11974	1.3
188.15303	1.2
189.11208	54.2
219.89442	1.4
227.12770	82.0
245.13821	9.4
250.37907	1.2
282.22903	1.5
379.20963	2.3
397.22211	26.5
404.33871	1.6
415.23254	66.9
421.34753	2.7
422.35129	11.1
439.35474	1.8
440.36185	11.1
486.20746	1.4
549.30389	6.5
567.31573	29.9
585.32715	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	621.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40314	1.1
95.08619	1.8
102.69073	1.2
103.79396	1.4
106.57646	1.4
143.86716	1.7
154.43275	1.6
207.89342	1.5
210.11136	1.5
460.22659	1.8
472.22165	8.0
473.18744	4.5
473.23907	2.9
474.20566	2.2
487.21173	10.1
488.22006	37.4
489.23141	18.9
490.23212	1.8
500.22073	19.4
504.21698	14.7
516.21552	3.1
517.22205	5.6
518.22949	5.9
529.18481	1.6
533.21967	3.1
544.20978	51.2
545.21637	5.7
559.23334	5.5
560.20502	16.7
561.24988	3.0
562.21765	2.1
577.24463	38.3
588.19849	25.8
603.22412	100.0
621.23322	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	621.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
59.69625	0.7
105.30737	0.8
125.24149	0.9
243.03642	1.0
274.30127	0.9
419.22290	3.4
431.18802	1.0
433.20544	1.5
445.20038	1.4
446.21201	7.5
447.21817	14.0
459.22043	1.5
461.19244	1.1
473.19708	1.3
474.20001	9.4
475.21313	10.4
487.21396	4.9
491.20486	1.4
501.22894	1.3
505.23581	0.9
519.20135	1.1
529.22784	1.2
533.25549	28.4
561.16156	1.2
561.24908	32.9
562.25024	1.5
589.24127	1.2
593.27197	5.5
621.27039	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	621.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
73.54135	1.0
84.42533	1.2
88.94864	1.1
94.47251	1.1
140.11287	1.2
290.68646	1.2
419.22653	1.8
445.20078	2.5
446.21045	5.2
447.21869	14.3
459.22086	2.3
463.76974	1.4
473.23013	1.6
474.20621	19.2
475.21176	22.2
487.20996	4.8
501.22687	6.1
505.26074	2.0
533.25519	19.7
561.24927	62.8
562.23804	1.4
572.13696	1.6
621.27020	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	621.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55777	4.8
54.34443	5.4
55.05518	43.9
59.86190	5.5
64.81594	5.6
67.05505	44.2
69.03439	7.3
69.07065	56.6
79.05495	39.4
81.03543	6.1
81.07062	85.1
83.08630	29.2
91.05473	35.7
93.07024	53.4
95.04969	13.2
95.08623	49.4
97.06530	9.6
97.10173	9.0
99.08090	7.6
105.07034	41.4
105.63135	6.9
107.08593	52.2
109.06561	12.0
109.10162	30.0
111.08071	12.4
117.07027	12.5
119.08580	36.9
121.10129	29.7
123.11662	7.3
125.09661	27.3
129.07039	6.5
131.08574	33.6
133.10146	53.2
135.11691	14.6
143.08525	10.6
145.10152	44.6
147.11685	35.8
149.09589	9.7
151.11206	7.8
157.10149	11.7
159.11644	25.5
163.11198	8.4
165.60347	7.1
171.11661	27.8
173.13235	10.6
177.12752	10.7
183.11784	10.1
185.13184	7.0
190.16997	8.0
257.18948	8.3
275.20099	100.0
293.21109	37.3
301.21756	7.6
461.32953	7.2
469.33282	7.7
541.66058	8.1
567.40442	9.5
585.41199	36.2
603.42395	40.0
612.96741	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	621.436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66742	1.7
51.02492	1.7
51.66887	1.9
54.96176	1.9
55.05516	3.4
57.03448	2.3
57.07069	3.7
60.35142	1.9
63.09624	1.8
67.05500	10.2
69.03419	3.9
69.07063	13.8
71.05000	19.6
81.07060	30.4
81.09937	2.1
82.93407	1.9
83.08627	13.4
85.02905	35.6
91.05466	4.3
93.07048	20.8
95.08605	57.3
97.02888	4.5
97.10177	4.3
99.08141	3.5
105.07052	19.2
107.08604	40.1
109.02885	3.5
109.10160	90.0
111.11760	2.8
117.07007	8.7
119.08587	29.7
121.10149	37.7
123.11729	30.2
125.09626	3.7
127.03922	9.2
127.11208	48.7
131.08553	11.3
133.10141	29.3
135.11703	22.7
137.13289	12.4
141.12778	3.4
143.08612	2.8
143.10721	4.2
145.10118	27.9
147.11690	36.1
149.13275	25.7
151.14861	4.2
157.10065	4.0
159.11656	28.9
161.13258	29.8
163.14810	14.1
169.10074	2.4
171.11739	4.7
173.13217	19.1
175.14828	37.2
177.16409	5.0
185.13266	3.1
187.14838	36.1
189.16341	23.4
191.17969	2.8
199.14812	2.8
201.16403	44.9
203.17993	4.3
204.87000	2.6
205.15906	5.4
213.16418	4.8
215.17877	9.5
217.19588	4.9
219.17346	3.1
229.19539	11.0
241.19470	5.5
247.20610	3.0
247.74010	2.3
255.21021	3.8
269.22488	2.6
281.22873	3.0
297.25809	3.8
405.35129	13.1
423.36203	100.0
425.38251	3.4
428.41605	2.6
441.37207	55.7
459.38077	12.6
544.23596	2.8
567.40094	2.7
585.41406	3.9
603.42529	42.7
621.32001	2.9
621.42810	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	622.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57771	0.3
57.44118	0.4
58.22863	0.4
63.14144	0.4
65.37535	0.4
66.89880	0.4
70.99677	0.5
73.05334	0.4
89.27790	0.5
150.40192	0.4
168.14848	0.5
237.13943	0.5
305.92068	0.5
380.39493	0.5
432.19757	0.6
433.20139	0.8
446.17352	1.0
447.17285	1.6
447.23019	4.3
448.18307	0.9
448.23355	0.8
449.23682	0.9
449.96524	0.5
460.19110	2.1
461.19229	4.7
462.20224	3.7
475.21295	23.8
476.21991	11.6
477.22830	9.5
487.21564	0.7
488.22183	0.8
489.22794	2.7
491.20813	0.7
503.21112	2.8
505.22675	0.8
507.23837	0.8
519.24097	1.0
520.21295	0.7
521.22034	0.7
533.21844	0.7
534.25140	0.6
535.24207	3.6
536.24365	0.8
545.25555	0.6
547.23309	3.4
548.23981	0.9
551.26068	0.6
562.25684	1.9
563.26483	12.6
590.25342	2.1
593.25580	0.9
594.27869	1.8
607.25586	2.7
622.27887	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	622.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68462	2.3
73.74229	2.1
86.99308	2.2
237.00017	2.7
409.68008	2.8
433.20187	3.3
447.22244	6.9
461.19647	5.4
462.20322	4.3
475.21304	22.7
476.21872	11.9
477.22955	5.3
535.23254	4.5
547.23694	3.1
562.25159	4.2
563.26093	14.4
622.27777	100.0
632.30780	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	622.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95929	1.1
54.11590	0.9
67.05515	2.3
79.05495	2.0
80.40811	1.0
81.07079	1.4
91.05479	1.5
93.07021	2.5
93.64297	1.0
95.08630	1.7
103.93941	1.0
105.10518	1.0
109.10187	1.3
111.87572	1.1
173.70425	1.2
447.20697	1.5
461.22260	15.9
462.22879	9.5
476.24460	52.8
489.35703	1.5
529.38513	4.7
534.24988	14.5
548.26465	23.1
562.28015	1.4
563.28857	82.9
622.30255	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	622.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90721	1.5
59.05012	100.0
70.06600	2.2
73.06569	3.6
76.95876	1.5
87.04469	12.6
89.06038	81.1
103.07594	65.0
133.08604	30.1
147.10155	15.7
177.11230	10.3
185.49477	1.5
221.13782	1.8
309.19006	2.2
500.66367	1.7
605.37433	40.4
614.11212	2.0
622.18481	2.2
622.40253	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	623.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20246	0.4
50.33083	0.4
52.00643	0.4
60.87980	0.6
83.38953	0.5
84.08162	0.7
85.77573	0.5
86.52336	0.4
118.06541	2.5
127.03888	0.6
129.10237	0.5
132.08067	2.6
144.08075	6.0
146.06006	39.0
151.25204	0.5
159.09175	4.4
170.05972	2.2
188.07065	100.0
205.09726	35.7
221.02927	2.3
239.03981	3.7
251.03987	1.2
263.03897	2.5
275.03995	2.0
299.04205	0.6
305.05017	0.6
323.06128	18.1
323.10678	0.7
341.07104	1.1
408.63260	0.6
461.09143	3.7
487.81659	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	623.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
61.59224	0.4
67.05518	0.8
67.07455	0.4
67.07887	0.3
73.12984	0.4
81.07073	0.5
93.07018	0.5
95.08578	0.5
95.42455	0.4
109.10133	0.4
153.65550	0.4
195.89008	0.5
210.77708	0.4
252.60420	0.4
267.11627	0.4
277.21542	0.5
294.24362	0.5
342.91321	0.4
407.22092	0.5
431.22412	2.0
433.23935	5.7
446.24869	3.1
447.21783	2.6
459.21945	1.6
462.20544	1.5
463.21545	2.3
473.23584	1.7
474.24335	1.9
475.20523	0.6
475.25586	0.7
476.21872	0.5
477.22855	37.4
478.23676	1.0
486.20703	2.2
487.21039	0.8
489.19159	0.6
490.23843	0.6
491.20285	34.2
492.25256	4.7
501.22949	8.0
502.23795	3.4
503.20706	4.2
507.20395	0.7
517.21857	0.6
518.23145	0.8
519.23608	4.1
521.21796	7.2
524.23993	0.7
529.21637	0.7
531.20178	0.6
535.24005	0.9
536.24188	34.4
545.23547	2.0
547.23114	1.0
551.26672	2.3
563.23053	6.2
564.23303	0.5
605.24316	0.9
623.24969	100.0
650.62347	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	623.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07059	0.5
67.05496	3.3
69.07071	0.7
73.51047	0.5
79.05491	0.8
81.07044	3.3
83.08609	0.8
84.77848	0.5
91.05439	0.6
93.07032	1.3
93.54824	0.5
95.08625	1.3
97.09470	0.5
109.10178	1.1
121.10130	1.0
139.11137	0.6
147.11630	0.6
277.21646	0.8
294.24121	0.6
325.11411	0.6
393.20621	1.0
405.15570	0.7
406.21613	0.7
407.22281	3.4
421.20047	3.2
430.21548	1.2
435.21475	2.4
443.22699	0.9
448.22311	0.9
458.20871	1.1
459.21924	0.7
462.20367	1.2
471.22107	6.1
473.23758	1.0
475.21359	2.3
476.22275	1.0
479.24579	1.3
483.21701	1.0
485.18832	1.0
486.20404	3.3
488.22110	0.9
489.17947	1.8
489.22659	4.2
490.19455	5.7
491.20432	5.1
499.21326	15.5
500.18344	1.2
501.23080	9.9
502.20386	1.2
503.20868	3.2
505.22632	1.0
507.24170	2.4
508.24588	2.2
513.18909	1.1
514.19818	2.5
516.21735	1.3
517.22449	11.4
518.22656	0.7
521.21790	1.3
527.20477	4.8
529.22131	4.1
531.20288	1.2
535.23468	5.2
545.21436	20.5
558.18481	0.7
563.22424	2.4
564.23364	2.1
573.21283	5.1
605.23834	20.2
623.24933	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82810	0.6
52.31434	0.5
61.26400	0.6
62.59637	0.6
69.55761	0.7
72.98856	0.6
75.84855	0.5
83.53895	0.6
89.51604	0.6
92.20903	0.8
108.07678	0.6
114.16133	0.7
136.33839	0.8
168.24490	0.6
208.84645	0.7
452.36240	0.7
461.15378	1.2
462.20297	3.3
463.21179	1.1
473.19092	0.9
475.21078	0.8
476.21835	1.0
477.22678	1.5
485.23526	1.0
489.19083	3.5
490.19989	24.1
501.22507	3.6
502.20090	6.1
503.20441	0.9
514.19818	1.0
515.16925	1.2
517.17938	7.7
529.22083	4.1
530.19672	6.5
535.23108	1.1
545.22083	7.0
573.21344	5.1
605.26514	3.0
623.24902	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
62.39382	1.4
63.13005	1.1
66.76682	1.1
73.09615	1.3
85.64082	1.2
93.01845	1.3
111.96772	1.5
122.07647	1.5
182.68364	1.3
260.90024	1.4
364.93561	1.4
391.88351	1.6
407.22116	2.1
421.20700	1.6
443.22357	2.8
444.19559	3.1
458.20938	2.6
461.19418	1.7
462.19919	1.6
463.20969	2.1
471.22040	11.7
475.21860	2.2
485.19962	2.2
486.20605	4.9
489.22925	8.2
490.19696	4.7
491.20859	2.7
499.21268	25.3
500.18262	1.9
501.22690	3.1
503.20975	2.9
508.24631	2.5
514.20343	2.7
517.22461	17.5
518.22882	2.7
527.21130	2.2
529.22229	10.9
535.23810	1.4
536.24060	1.5
545.21790	30.1
564.22900	1.7
573.21252	8.0
605.23932	35.7
623.25024	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	623.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88918	0.5
61.24407	0.6
66.30044	0.5
82.99568	0.5
83.22687	0.6
114.22752	0.5
224.44737	0.6
257.56503	0.6
262.17654	0.6
434.21371	0.9
435.21884	0.9
443.22308	1.4
444.19788	2.8
458.21136	3.1
461.19589	0.7
462.19919	0.9
463.20660	1.6
471.21884	6.2
473.19516	2.4
474.20575	1.4
475.21689	1.0
485.19730	1.4
486.20749	2.7
489.23734	5.4
490.19223	4.4
491.20486	4.4
492.21591	0.8
499.21365	10.6
500.18863	3.7
501.22946	3.7
503.20740	2.7
507.24127	2.2
513.19299	3.9
516.21436	1.1
517.22198	16.9
527.20789	1.3
529.22583	7.5
531.20386	2.5
535.23315	4.7
545.21814	16.4
564.23901	1.3
573.21075	4.6
577.24304	1.1
591.21863	0.8
605.23975	12.2
623.25018	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18238	0.5
64.15443	0.6
65.80603	0.7
67.05498	0.6
72.53160	0.7
106.27830	0.7
154.33443	0.7
266.38547	0.7
280.54449	0.6
375.35751	0.7
419.22464	1.3
421.23660	0.8
433.20279	4.0
446.21152	3.0
447.21619	4.7
448.22556	2.9
458.20782	7.2
459.21628	5.0
460.22507	6.3
463.21365	4.2
465.23160	0.8
472.22922	1.1
476.21939	1.5
477.22980	3.2
486.24490	0.8
487.24966	1.5
491.24216	0.8
517.22113	0.9
518.22913	9.9
521.21765	2.2
531.23059	0.9
533.25507	13.0
535.26837	3.2
545.25574	8.2
546.26306	2.9
563.26404	6.6
564.27203	1.0
573.25262	0.8
605.27515	19.9
623.28613	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
64.46322	0.5
72.80666	0.5
82.69553	0.6
92.55588	0.5
167.57182	0.6
247.52858	0.7
279.55005	0.6
407.22565	3.6
420.22974	0.8
421.23999	4.5
422.24844	1.1
433.24435	0.7
444.23126	2.8
457.24054	1.4
458.24863	5.4
459.21817	5.4
461.19659	0.9
472.22415	4.0
473.23480	2.4
475.21350	2.4
476.22266	3.3
477.22913	2.9
485.23608	9.5
486.19830	1.1
486.24847	2.5
489.22571	1.1
499.21347	3.3
500.22263	1.0
502.23813	0.9
503.24298	5.8
507.24179	0.6
513.22937	4.2
514.23572	0.9
517.26031	6.0
521.24274	0.7
529.26654	0.7
535.27161	6.2
545.25537	47.1
564.27332	1.3
573.24988	14.7
605.27643	25.7
623.28656	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	623.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92294	0.5
67.05514	1.3
68.95979	0.6
70.95394	0.6
71.63486	0.7
81.07060	3.0
91.05441	0.8
93.07030	0.9
95.08614	1.3
98.12189	0.8
107.08584	1.3
109.10147	0.9
119.08572	0.7
120.16656	0.7
120.19678	0.7
121.10190	0.8
264.58569	0.8
285.85492	0.8
407.22192	4.7
421.23828	4.9
422.24649	1.8
442.58038	0.8
444.22934	4.0
445.76862	0.8
446.20697	0.8
457.24225	1.1
458.25122	7.3
459.21594	8.3
460.22351	1.1
462.20584	0.9
463.20874	1.2
472.22540	5.2
475.21136	6.1
476.21854	5.8
477.22995	3.7
485.23434	13.1
485.54376	1.0
486.20340	3.4
486.24399	1.2
489.22766	3.8
499.21344	6.1
500.22083	1.3
501.23068	1.0
503.24716	8.2
513.22351	3.4
514.23169	1.7
517.26697	6.7
535.27393	6.0
545.25616	55.5
562.25140	1.0
563.25970	3.8
564.26935	1.0
573.24915	17.0
605.27826	23.4
623.28772	100.0
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
91.83990	0.6
112.15594	0.5
197.31058	0.5
202.39056	0.5
407.22174	4.2
420.23032	1.1
421.23755	6.8
422.24677	4.2
444.23233	1.1
457.23950	0.8
458.24716	3.0
459.21613	3.9
460.22464	0.9
461.19128	1.4
462.20493	0.8
472.22513	2.6
473.23499	0.9
475.20941	5.6
476.21851	7.2
477.22665	5.7
485.23624	7.0
486.20966	3.1
488.21960	0.7
489.23071	2.8
499.21301	8.0
500.21893	2.7
502.23700	0.8
503.24472	13.9
504.24527	2.9
505.22641	0.8
507.23355	1.5
513.23065	2.3
514.23566	1.0
515.24500	0.9
517.25598	4.8
521.25458	0.9
529.26465	0.6
531.23267	0.7
535.27112	10.2
536.27423	2.4
545.25482	32.6
563.26404	1.2
564.27191	3.2
573.25049	11.1
577.28271	0.7
591.25568	1.1
605.27863	4.9
623.28638	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	623.313
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	0.6
57.03437	0.5
60.05647	2.5
61.02935	3.8
67.05492	0.7
69.03439	1.9
70.06599	1.0
72.04520	2.5
72.08143	0.6
73.02908	3.3
74.02430	1.8
74.06087	1.0
74.86411	0.4
76.05128	13.7
81.03422	11.1
81.07058	0.8
83.08624	3.8
84.08151	0.9
85.02908	5.7
88.92622	0.4
91.03957	4.3
91.05485	0.6
95.04969	3.8
96.05614	20.8
96.79628	0.5
97.02868	5.0
97.06396	3.2
98.07201	0.5
99.04453	0.5
102.05587	0.8
105.07050	0.8
107.04953	0.4
107.08636	0.6
109.10152	0.9
111.08086	3.3
116.08208	1.9
118.05014	6.2
119.08585	1.0
120.05691	0.4
120.06618	2.2
127.03918	1.9
129.07028	0.7
129.10258	0.7
133.10187	0.8
134.20349	0.5
135.07657	0.5
136.07614	0.5
147.11716	0.9
149.09605	0.7
155.10536	0.6
157.10150	2.9
159.08789	0.7
160.07167	10.7
163.39780	0.4
175.11166	3.5
177.09798	14.1
185.22725	0.5
192.13948	0.8
193.12219	19.3
207.74594	0.4
211.13229	0.7
232.14348	3.4
250.15596	0.5
267.15921	2.9
268.16522	0.7
284.18634	0.5
285.16931	0.5
286.55093	0.5
342.19998	0.8
344.22018	0.6
360.21167	8.4
461.26007	3.8
522.26459	0.9
623.31348	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99294	0.3
59.67168	0.3
60.04527	0.5
61.20580	0.3
70.06598	9.1
73.19401	0.3
76.14827	0.3
83.06118	0.6
83.90010	0.3
84.08147	0.7
85.02903	0.8
86.09695	1.8
97.02903	0.5
110.07166	100.0
116.07243	0.4
127.03859	0.6
129.10199	0.6
130.05019	2.2
147.04399	0.5
147.07652	4.7
149.76089	0.4
153.01833	0.7
163.09763	2.5
177.05496	0.5
178.05850	0.5
179.09285	4.0
207.08777	0.6
213.07593	0.6
221.02892	0.8
221.10338	5.2
221.95499	0.4
223.15549	0.9
227.10301	0.8
233.02881	0.4
239.04031	0.8
239.11353	5.7
244.12924	8.3
249.09802	24.4
250.96252	0.4
251.04178	0.5
263.04218	0.6
267.10892	20.3
275.04166	0.5
317.05225	0.5
323.06451	10.4
340.29059	0.4
341.07315	0.6
352.19855	2.4
380.19269	22.7
461.09225	2.2
477.24600	0.5
544.38464	0.4
623.31519	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	623.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38811	0.8
52.21717	0.8
57.07085	1.4
67.05508	1.5
70.60869	1.0
79.05455	1.4
81.07041	1.8
93.07023	1.7
95.08573	1.5
97.10189	1.4
99.08108	1.0
99.33653	1.0
100.04943	0.9
103.59564	0.9
107.08597	1.2
109.10103	1.6
119.08499	1.0
129.15524	0.9
135.11607	1.1
152.50725	0.9
367.13556	1.1
474.59296	1.0
545.25189	1.3
587.46552	1.3
623.37146	100.0
623.45062	10.7
634.15045	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	624.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.2
55.01887	1.6
56.90619	0.7
57.03445	0.9
58.00979	0.7
61.02916	1.0
61.19208	0.7
61.68399	0.8
68.23628	0.8
69.03437	7.4
70.06594	1.3
71.05009	1.1
72.08157	0.9
73.02914	4.1
81.03411	9.5
85.02908	18.3
86.09695	1.4
87.00820	8.6
91.05482	1.2
93.07060	0.8
95.08576	2.2
97.02898	8.8
99.04462	5.6
103.05462	2.0
105.01885	6.3
105.07062	1.4
107.08603	1.2
109.02873	11.8
109.06571	1.1
112.24398	0.8
119.08575	4.5
121.10124	4.1
125.23332	1.1
127.03912	16.9
129.01781	1.1
129.06981	1.5
131.04915	12.2
132.05730	1.0
133.06490	1.2
137.05981	82.3
143.04915	2.0
145.04936	5.6
147.08058	4.6
151.07535	1.3
157.06442	1.9
159.02858	6.8
160.05203	4.1
161.05977	7.1
163.07520	20.8
175.07538	100.0
177.16403	3.4
187.07533	16.2
189.09134	6.0
193.08606	4.6
199.07539	6.5
203.10455	1.0
205.08575	4.5
219.08009	1.0
227.00787	1.1
231.04912	1.3
231.08029	3.9
235.09579	11.0
247.07663	1.1
248.08214	1.0
251.10614	3.6
259.07629	2.2
260.08310	1.0
263.10623	3.5
271.09637	1.2
276.07730	1.9
279.10107	1.6
291.10117	7.8
292.10818	1.5
308.10251	1.2
309.11185	1.0
311.12781	5.3
323.12778	21.0
325.14307	13.9
341.13901	15.6
358.32602	0.9
589.19031	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	624.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86123	0.6
53.03961	1.7
53.34035	0.7
55.01886	2.1
55.95782	0.7
56.17512	0.8
57.03444	1.8
57.15404	0.8
61.02942	1.4
64.94725	0.8
69.03422	8.4
70.06586	2.0
71.76657	0.8
73.02937	1.5
81.03423	12.0
85.02428	1.6
85.02909	29.0
87.00836	11.8
97.02895	14.8
97.06534	1.4
99.04474	8.7
103.03998	1.1
103.05479	1.5
105.01854	6.9
105.07098	1.0
107.08561	1.0
109.02882	14.4
115.03948	1.2
115.05418	1.0
117.01797	0.8
119.08546	1.3
121.06482	0.9
122.03630	1.8
125.06013	1.8
127.03910	23.1
129.01848	2.1
129.06961	2.0
131.04926	5.2
132.05664	0.8
133.02853	1.0
133.06577	1.1
137.05984	100.0
143.04930	7.3
145.04936	8.2
145.10104	1.2
147.02925	0.9
147.08051	1.7
151.03979	1.3
151.07533	1.6
153.05458	1.4
157.06465	4.0
159.02921	6.5
160.05176	5.2
161.05986	4.8
163.07520	11.4
165.06659	1.1
173.09471	0.9
173.87938	0.8
174.06787	1.5
175.07539	98.3
187.07529	26.4
189.09109	7.9
193.08655	1.5
199.07547	3.4
201.09108	1.1
205.08551	10.4
205.12244	1.6
211.07515	1.0
217.08546	4.5
219.08150	1.0
219.10173	1.2
231.04993	3.8
231.08058	3.5
233.11719	1.0
235.07298	1.0
235.09628	24.6
239.07071	1.3
248.08423	1.0
251.10629	3.6
259.07556	2.1
260.08371	0.9
261.09302	0.9
263.10690	6.2
269.13858	1.5
270.08847	3.5
271.09604	6.2
276.07797	1.2
279.10175	4.8
283.09546	1.2
291.10162	12.5
292.10706	1.3
308.10324	1.8
309.11017	1.2
311.12744	8.3
323.12778	17.3
325.14325	10.7
341.13840	35.7
387.64316	0.9
396.06445	0.9
413.17941	1.4
589.19543	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	624.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	1.1
55.01887	1.5
59.42803	0.8
68.99790	0.9
69.03427	6.3
73.02877	0.9
73.89301	0.9
81.03429	6.4
85.02911	14.7
87.00822	5.6
91.05455	1.2
97.02879	5.7
99.04482	1.3
103.05453	1.0
105.01878	4.6
105.07002	3.9
109.02899	9.1
121.06501	1.4
121.49538	1.0
122.03619	1.2
127.03911	10.0
133.06485	6.3
137.05978	100.0
145.04993	2.1
149.05992	9.4
159.02861	4.8
159.72661	0.9
161.05991	20.7
162.06755	1.7
163.07556	1.4
173.06017	1.0
175.07538	31.4
187.07536	12.2
191.08531	2.2
199.07549	5.6
219.08043	6.0
229.08717	1.1
231.05046	1.8
231.08133	2.0
247.07443	6.6
251.10641	34.6
257.21628	1.1
259.07483	1.7
263.10538	1.9
264.07840	1.8
279.10117	21.8
291.10159	7.1
292.10840	1.3
296.10361	2.0
297.11371	1.0
309.11133	2.0
311.12793	46.0
323.12775	21.2
335.12592	3.9
341.13788	6.2
353.13876	1.7
370.06891	1.0
401.13742	3.7
419.14859	1.4
437.31979	1.0
523.16302	6.9
541.16772	7.0
559.17975	19.9
589.19452	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	624.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28247	0.5
53.03950	0.6
55.01867	1.5
57.03418	0.6
69.03434	6.6
70.06594	2.8
71.05009	0.7
73.02901	0.7
77.71720	0.6
79.89247	0.5
81.03424	6.9
83.01290	0.8
83.04975	0.7
85.02915	9.1
86.09703	3.4
87.00836	3.3
94.49406	0.7
95.04996	0.7
97.02887	8.6
99.04449	3.7
103.05473	0.8
105.01875	2.7
105.07020	1.4
109.02856	5.1
109.06550	0.7
112.08154	0.6
115.03900	1.0
119.08545	0.9
120.08102	1.2
121.06526	1.4
122.03660	0.9
125.05997	3.6
127.03913	11.3
128.01062	0.7
128.16577	0.7
129.07001	1.5
129.10214	0.8
131.04915	0.7
133.06473	3.0
137.05983	100.0
143.04912	8.7
145.04976	2.5
145.06439	1.0
145.10091	3.1
147.08041	0.7
149.05981	3.2
151.07570	1.1
153.05455	2.5
157.06474	3.4
159.02869	1.4
159.08052	1.3
160.05206	3.9
161.05971	11.6
162.06799	1.1
163.07495	3.0
163.11208	1.1
173.09628	1.6
175.07547	79.4
177.05453	2.4
177.09123	0.6
187.07544	28.1
187.11194	3.5
189.09032	5.1
191.08607	0.9
199.07527	3.5
205.08623	9.8
211.07588	1.0
215.10658	2.4
217.08621	3.4
219.08102	6.1
231.04950	1.4
231.08038	3.2
233.11697	0.8
235.09650	21.7
239.06931	0.8
247.07576	5.1
248.08363	0.8
249.05939	1.0
251.10651	21.5
251.12955	1.5
259.07471	1.0
260.08249	1.1
263.10715	2.5
266.08817	1.2
267.45703	0.7
270.08795	1.0
271.09732	1.0
276.07877	1.4
279.10162	12.7
291.10092	8.3
296.10541	1.2
297.11356	0.7
309.11218	1.0
311.12778	24.2
323.12766	15.0
335.12671	0.9
341.13885	12.4
353.13986	1.1
355.75772	0.7
401.13773	2.3
413.17975	1.1
523.16058	1.2
541.17126	0.8
559.18073	8.5
589.18628	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	624.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97302	2.9
64.23830	4.0
69.03435	6.4
69.07070	17.0
70.06612	5.4
72.08169	4.0
76.04006	23.1
79.05497	5.4
81.03400	9.2
83.05018	13.4
85.02892	22.5
86.09717	4.9
91.05478	4.6
93.07048	18.6
95.04991	4.4
97.02894	22.7
97.06539	41.9
99.04447	25.3
105.07050	19.6
107.04973	6.2
107.08615	15.3
109.02908	6.9
109.06522	8.6
109.81763	3.2
116.20234	3.3
119.04868	3.9
119.08588	4.8
120.08097	5.0
121.06504	19.0
121.10123	5.3
122.86241	3.5
123.07947	5.0
125.05978	32.2
127.03903	19.3
131.08557	6.2
133.06482	5.2
135.11696	8.1
137.05975	100.0
143.04890	4.3
143.07065	14.7
143.08557	5.5
145.04968	4.2
145.06499	6.7
145.10124	50.2
147.08009	5.2
147.11674	7.3
159.08067	6.1
159.11681	21.8
161.05966	8.4
163.07487	8.2
163.11165	75.4
169.10135	7.4
173.09605	71.7
175.07558	75.3
181.12192	6.9
187.07564	19.0
187.11099	53.7
191.10698	22.5
197.09584	6.4
199.07521	7.3
205.12273	35.2
215.10675	36.7
233.11702	50.3
235.09648	6.0
251.10571	12.8
251.12837	34.2
269.13809	29.5
279.09906	6.3
283.47632	4.6
291.10190	8.7
300.21674	8.5
311.12778	21.0
318.22845	5.4
323.12790	20.4
341.13770	18.4
359.14828	5.7
377.16028	24.2
395.16803	8.3
413.18079	56.0
445.20889	5.8
522.03058	3.5
589.19366	4.7
649.31598	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	625.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85525	0.3
55.01856	0.2
57.03429	0.3
57.07060	0.4
58.59151	0.2
58.94796	0.3
61.02927	0.6
61.39194	0.2
61.42350	0.2
69.03408	1.8
70.06593	0.3
72.08148	0.3
73.02933	0.3
81.03423	0.6
81.88707	0.2
84.08140	0.4
85.02426	0.4
85.02899	6.6
97.02895	2.5
105.01911	0.4
109.02869	1.3
113.98360	0.2
117.43346	0.3
118.16830	0.3
120.08129	0.4
127.03910	2.0
144.22437	0.2
145.04958	1.3
158.73334	0.3
177.05417	0.3
197.11617	0.5
205.23338	0.3
258.85590	0.3
301.07047	100.0
327.64526	0.3
397.27078	0.3
440.19531	0.3
463.12338	27.3
465.78406	0.3
506.46982	0.3
605.35815	0.3
625.31781	0.4
631.97076	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	625.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.2
57.03434	0.4
61.02920	0.7
61.39599	0.2
65.88264	0.2
69.03437	1.6
71.05006	0.2
73.26406	0.1
81.03405	0.9
85.02906	6.2
92.65728	0.1
97.02900	2.4
99.04455	0.3
109.02882	1.2
127.03872	1.3
145.02820	0.3
145.04964	0.9
177.05450	0.8
204.32106	0.2
237.37236	0.2
241.15865	0.2
286.04681	0.3
287.05447	0.2
301.07047	100.0
336.04849	0.2
463.12329	26.3
531.93372	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	625.1759
Annotation	Peonidin 3-gentiobioside
Peak:m/z	Relative Intensity
50.68321	0.1
55.01841	0.2
57.03419	0.2
60.16427	0.1
61.02905	0.5
69.03429	1.3
71.04955	0.2
71.84938	0.1
73.02905	0.2
81.03384	0.6
85.02904	5.8
97.02892	2.1
99.04411	0.6
109.02834	0.7
121.02818	0.2
127.03879	1.0
131.29890	0.1
137.57869	0.1
145.02852	0.2
145.04877	0.5
177.05507	0.1
179.03198	0.1
198.73499	0.1
259.84851	0.1
272.63251	0.1
286.04614	0.2
301.07040	100.0
343.08127	0.2
365.74509	0.1
375.01868	0.1
399.55319	0.1
463.12317	30.1
541.85382	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	625.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	2.1
69.07074	2.3
72.50546	0.5
79.05495	0.6
81.07069	2.9
93.07057	0.6
95.08611	2.4
107.08650	0.6
109.10164	1.2
121.10184	0.6
136.70940	0.6
232.84071	0.6
280.26300	1.0
400.09607	0.6
406.21634	0.8
407.22409	2.3
420.23105	5.0
421.23862	5.4
435.25397	0.6
449.26996	0.8
451.21307	17.1
452.22299	2.2
461.23340	0.9
464.22189	1.1
465.22913	19.0
466.23624	5.5
475.25330	2.0
476.22314	0.7
477.26611	2.4
479.24374	3.6
491.20642	1.9
492.21698	3.1
493.25977	17.5
494.26730	2.5
502.24219	0.8
503.24472	10.9
504.24890	3.6
505.22375	0.9
506.23511	0.7
509.21655	6.0
521.25458	8.2
523.23273	13.6
537.24744	6.8
538.25775	10.6
547.23700	4.2
565.24634	5.8
566.24860	3.2
581.26874	1.0
607.25256	2.2
625.26538	100.0
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
55.73126	1.0
60.89058	1.0
67.05504	1.5
67.85626	1.1
88.35305	0.9
89.49240	1.0
146.14513	1.0
437.23547	1.8
462.20224	1.9
471.22128	2.3
472.19037	1.8
475.21136	2.5
477.19293	1.3
479.21252	2.3
485.42059	1.4
488.22003	1.7
489.22961	6.8
491.20367	2.6
492.21503	7.4
493.22116	4.4
501.23044	21.2
502.20294	5.0
505.22104	4.6
507.23645	1.5
515.20911	2.3
517.22296	1.9
518.19281	2.2
519.23761	8.9
520.24323	1.5
529.22290	2.7
531.24017	10.2
535.23639	1.4
537.24878	2.6
547.23352	18.1
565.24457	1.5
566.25018	2.5
575.23041	14.0
607.25726	17.8
625.26550	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	625.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
71.02012	0.6
75.27051	0.5
99.57453	0.6
106.45628	0.6
137.77623	0.7
184.86195	0.7
353.16684	0.7
368.27109	0.7
371.63934	0.6
421.23654	1.0
459.22043	0.7
460.23361	0.9
474.20752	3.1
475.21014	8.3
476.22205	1.2
477.23312	2.2
483.21835	1.3
485.23666	1.0
487.21286	4.7
501.22726	6.8
502.18918	4.5
503.20340	5.4
505.22488	1.0
513.23151	1.1
519.24347	4.4
529.22449	3.1
537.24957	0.9
539.21210	1.5
547.23389	19.0
548.23920	1.0
566.25562	1.3
575.23059	5.3
607.25604	15.0
625.26605	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79036	1.1
57.07059	1.5
59.51463	1.1
67.05515	5.6
69.07066	2.7
79.05498	5.7
81.07072	2.9
83.08643	2.5
91.05476	1.9
91.14983	1.1
93.07053	3.2
95.08598	8.1
105.07080	2.4
107.08602	2.3
109.10168	7.1
125.09702	1.3
133.10052	1.3
147.11771	1.8
175.81619	1.4
195.03270	1.6
248.60374	1.4
294.24393	2.0
308.95233	1.3
400.35959	1.5
473.23679	1.7
475.21390	7.7
483.21701	2.4
485.23572	2.3
487.21112	9.1
488.22351	1.7
501.23056	12.0
502.20242	6.1
503.20837	2.1
505.22314	1.7
513.22980	1.8
519.23859	5.4
529.22614	8.2
539.20874	1.7
547.23309	10.2
575.22498	5.4
589.24512	1.8
607.25317	7.0
607.42426	1.5
625.26563	100.0
625.44592	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	625.265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62078	0.8
52.96486	0.7
55.05515	1.3
58.84311	0.9
62.27633	0.7
65.36990	0.8
66.98814	0.7
67.05505	2.2
68.57633	0.9
69.07076	0.8
69.58025	0.9
72.15564	0.9
79.05535	1.0
81.07102	1.5
82.29547	0.9
92.21526	1.7
93.07047	2.0
95.08617	2.1
95.63161	0.7
97.10183	1.0
109.10173	1.6
121.10135	1.5
133.10124	1.4
136.62178	0.8
143.08588	1.2
188.72284	0.9
446.20728	1.4
447.21729	1.2
460.22684	1.2
474.19925	2.0
475.21344	13.7
476.22186	5.9
483.21948	4.2
485.23230	1.1
487.21320	7.4
488.22809	1.7
492.25540	1.7
501.22958	11.4
502.20358	8.1
503.20847	4.4
511.21188	1.3
513.22919	2.2
516.21008	0.9
519.23798	4.9
529.22534	8.7
531.24036	1.3
537.24780	1.9
547.23547	11.8
575.22925	2.2
584.24945	1.0
589.24237	4.9
607.25452	11.2
607.43585	2.0
625.26569	100.0
625.44312	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	625.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	3.2
57.07096	1.6
67.05506	8.6
69.07087	2.3
79.05511	3.0
81.07075	12.7
83.08624	2.8
91.05479	2.1
92.21510	2.0
93.07046	5.5
95.05003	2.4
95.08636	12.4
97.10237	1.8
103.14212	1.3
105.07010	2.9
106.29755	1.6
107.08599	6.4
109.10181	7.1
118.66686	1.3
119.08598	5.9
121.10126	1.7
123.11743	1.6
125.98371	1.4
131.08583	1.7
133.10159	3.1
135.11761	1.6
141.07057	1.5
147.11656	2.1
157.10153	2.1
161.13313	1.6
166.63148	1.6
176.21625	1.4
182.81238	1.5
183.11913	2.1
185.13281	2.6
197.13329	2.0
199.14964	2.0
211.14893	1.4
233.36267	1.5
242.20685	1.5
273.10660	1.7
475.21167	18.5
476.22174	15.5
487.21573	7.9
501.22952	7.4
502.20377	11.7
513.22913	1.8
519.23560	2.4
529.22168	3.3
533.21930	1.9
537.23907	2.2
547.23224	12.2
589.25085	5.5
607.25574	7.1
607.43640	10.6
625.26636	100.0
625.43756	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	625.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	0.8
55.05517	4.4
57.07079	3.1
58.72151	0.6
63.69745	0.5
67.05515	12.6
69.07069	8.9
71.04994	1.2
79.05492	5.0
79.48490	0.6
81.07059	20.5
83.04974	0.9
83.08624	7.5
85.02927	0.6
85.06532	1.3
86.06080	0.8
91.05455	5.1
93.07043	7.8
95.05002	0.8
95.08617	15.7
97.06522	3.5
97.10175	3.2
99.08084	0.9
100.07626	0.7
100.11250	0.8
105.07063	5.1
107.08598	6.8
109.06595	0.9
109.10161	9.2
111.08125	1.6
114.12856	0.8
117.07013	0.9
119.08560	3.7
121.10156	6.0
123.11711	4.1
125.09624	1.5
128.14407	3.3
129.06871	0.7
131.08598	1.5
133.10130	6.5
135.08162	0.8
135.11697	6.6
137.09657	1.4
137.13283	1.0
145.10133	2.7
147.11682	4.8
149.13313	3.3
153.12802	1.2
157.10182	1.4
159.11679	1.2
161.13313	1.0
167.14397	0.9
169.10059	0.7
170.15431	0.9
177.12715	0.7
179.14273	1.0
195.11908	0.9
195.13995	0.8
198.14949	4.5
200.16431	1.3
212.16537	3.9
214.18118	0.8
228.15996	0.9
239.11691	0.8
242.17703	0.8
263.23715	2.6
277.21597	0.9
279.23267	1.0
280.26343	9.9
294.24393	0.9
296.25879	1.5
370.79849	0.7
395.22375	0.8
409.20197	2.8
423.21783	4.0
424.22491	1.4
446.21320	4.7
459.21957	7.7
460.23157	5.8
461.19421	4.9
462.20456	1.3
474.20596	8.6
475.21234	3.8
477.18347	0.8
477.23389	3.0
478.20123	2.9
479.20966	1.3
486.20734	0.8
487.21411	19.4
488.17847	1.3
488.22729	0.8
489.22949	1.2
491.24481	1.6
501.19769	3.3
502.19809	1.6
504.22357	0.8
505.22360	9.5
515.20691	3.7
519.24030	12.1
531.23865	1.2
533.21899	1.0
537.24939	4.3
547.23395	75.5
575.22638	8.7
607.25580	40.9
607.43365	4.2
625.26569	100.0
625.44202	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	625.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55724	0.3
59.02742	0.3
60.28978	0.3
63.91441	0.4
68.48920	0.3
132.08266	0.4
144.06421	0.4
170.08981	0.4
184.85448	0.4
236.84833	0.5
322.95688	0.4
367.17389	0.4
420.23102	0.8
431.18936	0.5
433.20026	8.5
445.24402	0.6
446.21033	5.2
447.21933	5.2
448.22595	1.5
457.23956	2.2
459.22223	1.8
460.22424	0.5
461.18997	1.1
471.21802	1.8
472.18332	0.4
473.18774	0.5
473.23605	1.6
474.20276	4.2
475.20956	8.1
476.21985	0.6
477.23294	0.5
483.21802	2.7
485.23102	1.9
486.20807	0.8
487.21216	3.7
488.22113	2.1
489.22995	2.7
491.20416	6.7
492.25223	1.8
500.22107	1.7
501.22842	10.9
502.24207	3.5
503.24991	3.0
505.22366	0.8
513.22681	0.8
515.20660	0.9
517.22198	2.9
519.24628	2.6
520.24963	8.5
529.22235	1.7
531.24457	3.3
533.21979	2.2
536.24139	0.5
537.25220	1.7
545.21686	0.7
547.23315	10.3
548.24133	4.8
549.20758	0.5
557.22009	1.4
564.24219	0.6
565.24744	1.5
575.22620	3.1
579.26001	0.9
607.25494	11.0
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	625.297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77151	0.4
59.66768	0.4
62.06060	0.4
70.06583	0.6
77.44016	0.5
86.09713	0.9
106.96899	0.4
118.06531	2.4
130.06451	0.4
132.08101	1.8
144.08078	5.3
145.04662	0.5
146.06007	32.8
159.09172	4.0
159.83165	0.5
163.50998	0.5
167.26799	0.5
170.05989	2.1
177.05399	1.5
188.07068	100.0
189.07364	1.0
205.09720	36.6
244.52286	0.5
313.22836	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	625.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
60.06916	2.2
64.15462	2.3
66.69178	2.4
75.43109	2.3
92.20997	3.0
110.86613	2.4
116.56437	2.4
126.45548	2.8
150.60199	2.5
164.55136	2.8
310.72168	2.4
435.18079	3.1
463.21237	54.0
475.21115	25.7
490.23557	13.5
491.20493	23.2
522.26196	3.4
524.82648	2.7
551.26697	36.2
578.24774	3.3
622.29224	3.0
625.30182	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	625.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
73.09603	0.9
78.57323	1.1
118.67065	1.0
292.35367	1.0
435.18451	2.0
447.21640	1.3
461.23611	1.7
463.20731	12.5
464.22122	3.9
475.21210	13.3
476.22699	1.5
477.22446	2.5
479.24313	1.5
506.23077	2.2
519.23846	4.3
522.22607	1.2
523.26392	6.0
534.26251	1.6
545.57550	1.1
550.25690	4.1
551.26501	51.7
593.27539	7.6
625.30182	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	625.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45097	0.3
55.05521	2.5
57.03452	0.6
57.07082	1.6
62.93035	0.4
67.05511	10.3
69.07075	4.6
71.05011	2.1
71.08647	0.7
79.05499	4.0
81.07065	8.7
83.05016	0.4
83.08619	3.7
85.06570	0.5
91.05511	2.6
91.94643	0.4
93.07050	4.8
95.08616	7.9
97.06529	0.8
97.10171	4.0
99.13316	0.4
100.07646	0.7
100.79791	0.4
105.07055	2.4
107.08566	3.2
109.10161	11.8
111.08081	0.7
114.09201	0.6
119.08611	2.5
121.10162	2.8
121.72571	0.4
123.08054	0.5
123.11746	1.7
125.09683	2.7
128.14386	2.0
133.10178	2.4
135.08136	0.6
135.11755	1.8
137.09665	1.6
139.11230	0.9
141.86937	0.4
142.12270	1.0
142.16057	0.7
147.11760	0.8
149.09666	0.7
149.13245	0.7
155.10736	2.2
158.11740	0.5
161.13327	0.5
165.09200	0.9
167.10770	0.6
170.11745	5.1
172.13310	4.8
173.11739	5.3
185.11758	0.7
186.14995	0.7
188.12971	0.7
200.12918	1.9
202.14554	0.8
245.22858	0.5
263.23795	2.0
278.55127	0.4
280.26324	8.1
313.27652	0.4
420.23108	0.8
421.23825	2.9
434.24606	0.6
447.21170	2.9
451.21686	0.9
461.23615	0.5
464.22336	0.6
465.22809	17.7
475.21671	0.6
477.23120	1.9
478.23837	0.8
479.24371	33.5
480.25168	4.2
487.21249	0.5
491.24628	2.6
492.24969	3.0
493.25949	10.8
505.26044	0.5
506.26965	1.9
507.27863	1.7
519.23950	0.9
523.23169	1.5
533.25378	4.4
537.24963	11.0
538.25647	0.5
547.26251	0.6
550.26086	3.2
551.27203	5.5
552.27234	18.7
565.28369	13.3
566.28973	0.9
625.30267	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74586	1.3
56.48392	1.1
62.04676	1.2
62.13210	1.2
65.54054	1.2
83.99948	1.4
123.88246	1.4
157.75674	1.5
279.51855	1.3
446.25269	2.2
447.21411	3.2
448.26205	1.7
461.79459	1.8
463.20844	2.0
477.23203	1.6
479.24570	15.4
491.20566	56.5
501.22363	1.7
502.23721	7.0
505.26144	3.3
516.67859	1.5
518.23944	1.6
533.25793	5.8
534.25897	2.2
550.26105	3.0
565.27997	8.1
566.28131	2.7
593.27570	28.4
625.30200	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	625.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83561	5.8
55.05515	41.9
57.07085	15.2
57.22678	5.8
60.49268	6.6
60.82297	6.3
62.62584	6.6
67.05510	67.0
69.07074	42.7
71.08621	35.0
75.28027	7.8
79.05500	41.8
81.07063	100.0
83.08624	49.7
85.02920	8.5
85.10188	16.6
89.84049	7.8
91.05463	40.0
92.90723	6.9
93.07063	71.3
95.04939	9.7
95.08606	93.3
97.06529	9.8
97.10176	51.5
99.08102	29.8
105.07031	47.7
107.08607	67.0
109.06516	13.1
109.10169	36.3
111.08087	13.4
117.07007	12.9
119.08565	40.1
121.10163	45.6
123.08094	8.4
125.09630	17.0
129.07031	10.6
131.08574	35.4
133.10132	54.2
135.08141	8.1
135.11717	38.7
137.13301	7.7
143.08540	9.7
145.10123	27.2
147.11699	34.0
149.13287	33.4
151.11186	29.0
159.11696	16.9
161.13268	17.7
163.11253	8.9
171.11682	11.1
175.15089	9.5
177.12801	8.6
179.14285	13.4
183.11777	9.7
185.13260	8.1
187.14958	8.0
189.11140	8.2
195.13834	30.9
197.13322	8.6
209.91423	7.0
259.20569	9.5
277.21674	46.1
295.22723	57.3
305.24844	9.9
389.26883	8.2
463.34079	14.8
475.34317	13.5
477.35684	12.3
489.35773	17.7
493.34988	9.5
525.09833	7.8
553.42053	16.5
571.43787	58.2
589.44666	82.9
607.45862	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	625.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76543	6.1
52.96306	6.0
52.99047	6.7
53.23159	5.6
55.05515	33.0
55.55546	6.3
55.86975	6.9
57.03426	10.8
57.07079	20.4
64.75926	6.8
66.26720	7.6
67.05512	93.5
67.95169	7.4
69.07058	41.7
71.08645	9.6
79.05490	40.4
81.07063	80.4
83.08607	18.6
85.10165	8.5
85.61288	9.0
91.05489	33.6
93.07041	38.0
95.08602	100.0
97.10181	45.8
105.07048	18.0
107.08579	51.0
107.09293	7.3
109.10159	88.3
111.08033	11.3
117.07028	8.5
119.08607	19.8
121.10138	32.2
123.11739	16.5
126.86230	8.3
129.62402	8.0
131.08557	11.1
133.10123	13.9
135.11652	12.2
147.11673	12.6
155.10571	10.2
156.10056	7.9
161.13185	9.1
172.13361	14.3
173.11713	33.9
227.12817	13.2
245.22565	10.0
280.26367	33.9
313.27457	15.5
314.27469	12.7
455.45508	7.9
488.78165	9.8
522.81329	9.2
590.48175	51.4
592.25726	15.5
625.26825	64.1
625.44635	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	627.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
148.17818	1.1
172.42891	1.1
181.95212	1.0
317.17929	2.5
335.19113	1.3
410.39182	1.1
425.19742	1.5
438.60544	1.1
448.18976	1.2
451.21872	1.3
475.21265	4.1
477.22711	5.8
478.20456	1.3
493.18787	5.6
494.19324	8.1
495.20255	1.6
503.20828	15.0
504.17743	3.8
505.22473	1.4
507.20276	5.3
512.79968	1.2
517.18286	4.0
518.19354	1.8
521.21936	11.7
522.22620	1.8
531.20557	1.5
533.22052	10.8
539.23303	4.2
549.21307	24.3
567.25061	1.6
568.23022	1.4
577.20593	4.9
595.21521	1.5
609.23468	15.0
627.24414	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	627.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35018	0.3
52.82873	0.3
55.05514	0.6
57.03439	0.4
57.89064	0.3
67.05506	2.2
67.12065	0.4
69.07081	0.5
79.05508	0.9
81.07065	2.9
91.05488	0.6
92.21608	0.6
93.07050	1.8
95.08616	2.5
95.81696	0.4
105.07067	1.5
107.08598	1.6
109.10185	2.2
117.07005	0.5
119.08573	1.6
121.10128	0.7
131.08543	0.6
133.10181	0.8
134.01550	0.4
135.11700	0.5
143.08559	0.7
145.23511	0.4
147.11655	0.6
159.11777	0.5
185.13333	0.6
213.58168	0.4
216.67258	0.4
223.39146	0.4
275.20020	0.6
276.94312	0.4
329.65704	0.4
335.25723	0.8
423.21777	0.9
436.22763	1.0
451.17664	1.9
451.24655	0.5
452.18039	2.8
453.19229	0.5
461.23346	0.9
465.19351	2.7
466.20291	7.8
467.16525	0.7
467.21732	0.7
470.19650	0.6
478.16168	5.2
479.21222	7.6
480.16663	0.6
480.21558	4.5
481.18088	7.9
484.17633	2.6
492.18088	3.4
493.18738	1.9
494.19196	13.7
495.20160	7.1
498.18753	5.4
507.20331	21.2
508.17670	11.8
509.21811	0.7
510.19125	2.5
512.17059	2.5
513.21973	0.8
521.18427	0.7
523.23895	0.8
524.20435	1.8
525.21613	2.0
526.18457	0.7
535.19708	2.1
539.22711	5.2
567.22400	54.5
583.25446	6.7
585.23358	7.6
609.44885	3.3
627.24542	100.0
627.45697	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	627.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17202	1.0
53.17536	0.9
65.35198	1.1
97.06585	1.1
215.11821	1.2
217.36487	1.4
243.11259	19.7
267.11295	6.5
269.12811	1.7
281.03616	1.2
285.12311	1.2
325.15536	2.1
348.13217	2.6
360.45786	1.5
371.35522	1.3
372.17020	5.5
416.16141	1.4
419.18423	1.4
432.19370	2.4
441.19031	2.1
451.17911	1.4
452.18317	5.5
462.24207	1.8
463.21619	2.6
465.19025	10.6
478.20578	1.8
479.20813	4.9
480.17395	4.3
483.20526	1.6
491.19922	1.6
492.20917	1.6
493.18271	5.4
494.15894	2.1
495.16638	2.8
497.18124	1.9
498.15564	1.8
507.23447	2.0
508.17355	7.0
510.19193	5.5
511.19922	2.0
512.16364	1.8
521.18408	9.2
522.15009	11.0
525.17596	5.6
526.14838	2.8
535.23517	2.5
539.19116	2.9
549.24847	7.7
567.18500	23.2
567.26099	12.3
572.81970	1.3
585.19794	2.1
595.25366	9.6
627.20294	60.5
627.28058	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
49.99998	1.5
50.65240	1.5
51.72587	1.5
57.89698	1.7
65.22433	1.6
79.38683	1.8
81.07065	2.2
83.57099	1.7
119.90211	1.8
151.37511	2.0
159.15979	1.8
165.61034	2.0
174.09157	2.2
243.11282	45.8
309.12128	2.6
325.15591	12.7
351.14169	2.7
358.15503	2.6
372.17297	9.4
384.17108	2.1
447.22119	4.5
462.24329	8.7
463.21487	9.5
465.18710	23.1
479.21182	11.8
480.21643	2.8
481.22305	4.6
490.23898	2.7
492.22043	2.9
493.22760	9.8
507.24170	9.4
517.22601	3.3
521.25586	3.5
535.23407	7.7
549.24615	18.5
567.26123	82.6
595.25562	46.2
609.27124	3.1
627.28156	100.0
627.45862	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	627.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45105	1.7
54.00504	1.8
65.56187	1.8
67.05523	2.2
83.08617	1.8
92.20999	2.5
106.39712	2.0
123.88933	2.2
127.07629	2.1
138.99326	1.9
140.14265	2.3
167.07011	3.7
203.80412	2.0
205.20499	1.9
211.34401	2.3
243.11273	38.6
267.11432	2.6
325.15442	14.2
350.46130	2.5
358.15112	2.1
432.19000	2.9
452.22830	2.4
462.24088	8.9
463.21576	3.0
465.18948	28.1
479.20782	13.0
480.21481	9.3
481.22318	3.0
489.22675	8.1
490.23019	3.4
492.21500	3.4
493.22128	9.7
494.22284	2.7
495.24103	2.9
505.20901	2.7
507.23682	13.7
517.22162	2.6
520.20386	7.5
524.24695	2.6
535.23657	3.6
549.25055	27.2
552.23096	3.0
567.26160	77.6
595.25531	41.1
627.28247	100.0
627.44763	3.1
634.32782	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	627.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	4.8
59.84690	1.1
61.02935	2.1
67.05502	6.9
69.07060	5.4
70.06591	6.4
72.08155	1.5
73.28732	1.1
79.05464	1.8
81.03424	1.3
81.07062	25.5
83.04964	1.5
83.08620	1.9
84.04488	1.6
84.08128	2.6
85.02900	9.0
85.06521	2.1
86.09696	4.8
91.03971	4.9
91.05466	7.0
95.08600	8.6
97.02901	2.7
97.06532	2.2
99.04439	1.8
99.08084	5.0
105.07009	12.7
107.08576	5.4
109.06490	2.1
119.08553	10.7
120.08104	2.5
121.10143	15.3
123.08024	1.9
123.11694	23.0
127.03907	3.0
127.07629	1.4
133.10088	1.5
137.05998	1.5
137.13249	1.4
145.04912	1.7
147.11679	71.6
157.10049	2.6
165.12744	36.1
175.11113	2.4
177.05473	2.6
183.13718	1.7
184.37064	1.4
187.07564	1.5
208.40337	1.3
229.14314	2.4
267.15854	27.0
285.16949	100.0
301.06918	9.6
302.07413	5.2
303.07623	6.7
380.86472	1.4
381.76367	1.4
392.70831	1.2
411.20337	1.4
447.22217	12.6
465.12381	2.1
532.59552	1.3
609.27747	2.3
617.54694	1.4
627.30579	2.0
647.42957	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	627.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.1
57.03460	1.7
61.02922	1.6
64.72876	1.2
67.05513	6.9
67.86987	1.0
69.07063	5.5
70.06577	1.4
71.04990	1.6
73.02914	1.1
79.05483	1.6
81.07057	22.4
83.04969	1.9
83.08624	5.2
85.02903	7.1
85.84109	1.1
86.09741	1.1
91.03935	5.1
91.05473	5.9
93.07039	2.8
95.08606	6.3
96.46092	1.1
97.02895	2.9
97.06535	1.9
99.08093	2.3
105.07013	11.1
107.08574	6.8
119.08578	9.2
121.10126	11.9
123.08096	1.5
123.11690	18.7
126.05495	1.8
127.03883	1.5
127.07553	1.6
138.37059	1.1
147.11682	66.9
157.10091	1.4
165.12732	35.0
175.11159	2.6
177.05431	1.7
183.13776	1.9
193.70531	1.3
229.14317	1.8
267.13086	1.7
267.15906	41.4
285.16962	100.0
303.18115	3.0
447.22211	2.2
528.05347	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	627.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16052	7.4
67.05498	8.1
79.05505	10.1
81.07059	29.9
85.02903	14.3
93.07030	35.0
95.08603	60.5
104.52992	8.8
105.07008	19.3
107.08586	42.0
107.38995	7.0
109.10165	46.2
119.08598	54.5
121.10142	45.7
123.08080	12.1
123.11703	11.2
131.08553	9.3
133.10115	61.1
135.11679	39.5
145.10152	44.5
147.11684	49.1
149.13242	46.6
157.10120	19.3
159.11688	39.9
161.13283	38.3
163.14774	9.3
171.11729	17.7
171.37080	9.0
173.13254	34.4
175.14745	15.3
179.04477	8.6
185.13284	35.6
187.14789	34.1
189.12665	8.6
189.16408	78.5
199.14885	30.4
201.16322	17.0
205.15860	9.3
341.30005	9.2
365.19580	13.9
433.30804	8.6
451.32138	98.5
469.32950	13.5
565.21466	8.5
609.33789	29.1
627.35187	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	1.0
63.33756	0.6
76.73274	0.5
116.80317	0.6
191.71172	0.7
236.04530	0.6
241.11040	0.9
315.16287	46.1
331.15921	1.0
333.17340	100.0
351.18317	17.7
356.18994	2.7
374.19772	1.3
515.23163	0.6
548.67981	0.7
591.37268	5.2
609.38391	3.4
627.38257	0.7
652.23407	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	627.4591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25334	3.9
58.50620	4.0
62.10895	4.0
64.31218	4.2
68.65140	4.3
72.65778	4.0
80.46106	4.7
124.78512	4.7
420.99454	5.1
444.59186	4.8
627.45886	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31445	1.0
55.01875	1.2
55.05524	12.7
55.05728	1.3
57.03438	5.8
57.07080	3.0
66.11759	1.1
67.05511	35.8
69.07069	15.1
71.04985	2.2
71.08633	5.6
72.95599	1.3
73.16540	1.2
79.05490	18.7
79.79860	1.4
81.07062	31.7
83.04973	2.0
83.08620	12.6
83.61954	1.2
85.06535	3.4
91.05486	13.2
93.07049	25.5
95.04973	1.5
95.08607	27.1
97.06541	2.7
97.10169	6.0
99.08092	1.8
105.07034	15.8
107.08575	14.2
109.10159	16.9
111.08074	1.6
117.07027	7.7
119.08581	18.0
121.10159	14.0
123.08071	2.2
123.11746	6.0
125.09623	6.9
129.07007	6.9
131.08560	19.6
131.09331	1.4
133.10141	12.3
135.08089	2.0
135.11691	10.3
143.08553	12.3
145.10118	14.8
147.11729	6.7
149.09619	2.3
149.13280	2.4
155.08598	3.2
157.10097	10.6
159.11717	10.2
161.13312	7.1
167.08545	1.8
169.10106	10.2
171.11710	10.5
173.13327	6.9
175.11217	2.4
181.10170	3.3
182.34921	1.5
183.11716	6.0
185.13286	8.2
187.14827	2.9
195.11700	2.2
197.13330	5.8
199.14836	9.2
201.16505	5.3
209.13322	3.2
211.14856	3.4
213.16336	2.1
223.14862	5.3
225.16379	3.3
227.00645	1.6
227.17999	2.5
235.14868	2.5
237.16499	2.2
239.18021	2.0
251.17946	2.1
293.18994	1.5
313.21750	1.8
490.68097	1.6
515.37628	2.3
517.40405	2.2
535.41394	1.9
541.38867	2.8
553.42938	2.5
555.40466	3.3
569.41815	1.8
591.44110	2.3
609.45215	45.1
627.46234	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	629.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.38252	0.6
84.56947	0.5
113.05868	0.7
128.64047	0.6
151.46248	0.6
183.68906	0.6
195.84982	0.6
323.83286	0.6
393.21893	0.6
441.19180	2.7
442.20135	0.7
468.18237	1.0
469.18707	36.7
479.20471	0.9
485.17902	0.7
496.21609	0.9
497.18384	3.9
504.03687	0.7
509.18005	4.3
510.18698	2.7
513.17676	48.2
523.19751	2.8
524.20630	1.1
525.21368	42.1
535.60400	0.6
541.20502	1.3
551.19592	0.8
586.20709	2.9
601.22723	10.5
629.22430	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49472	0.4
51.28172	0.4
60.87388	0.5
85.89252	0.5
92.20887	0.6
112.39952	0.5
209.38516	0.5
210.38478	0.6
441.19284	1.3
442.19955	2.7
468.18176	3.8
469.18713	41.9
472.17673	0.7
484.13870	1.0
485.17920	0.9
496.16727	1.0
497.18170	4.1
505.18979	0.6
509.18082	5.5
510.18988	2.6
513.17706	51.1
514.22284	0.8
523.19781	3.4
524.19977	1.7
524.63000	0.6
525.21423	42.6
528.19696	0.6
533.17688	0.7
541.20770	1.2
551.19189	2.5
585.23517	1.2
586.20618	2.7
597.26874	3.1
601.22919	8.7
629.22449	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22602	0.5
58.51045	0.5
214.98013	0.6
225.34505	0.6
268.14175	0.6
442.19980	1.1
453.15482	12.3
454.15289	1.0
454.20837	1.0
455.20895	23.5
456.21048	3.0
467.16910	11.9
468.17642	8.9
481.18503	10.3
482.19089	61.8
483.20114	3.0
485.17902	0.7
495.20166	1.1
496.21051	0.8
500.20279	1.5
509.21957	1.2
513.20825	0.8
514.21790	3.6
523.20105	0.7
526.22150	1.0
528.23975	3.5
541.24182	3.3
554.21448	2.8
569.23981	45.8
570.24536	3.4
586.23981	0.8
600.22809	0.8
629.25885	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23689	1.1
70.84747	1.3
76.55246	1.3
80.22202	1.2
92.21497	1.7
121.10194	1.5
173.01262	1.4
191.77295	1.4
200.71268	1.3
233.15482	1.7
321.09579	2.1
336.12228	2.5
336.85580	1.5
337.12677	7.4
341.98883	1.5
421.20767	2.4
450.20416	3.1
463.21414	2.5
464.22571	5.1
478.19955	3.3
481.22318	1.7
482.19193	2.2
491.21045	14.3
505.18634	2.0
508.20969	1.6
509.22501	3.9
513.24493	1.8
519.20032	1.7
523.23621	18.5
536.20813	6.3
541.24481	5.5
551.22919	74.0
579.22687	5.6
611.25055	21.0
629.25995	100.0
629.42072	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	629.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52314	1.7
61.26358	1.3
67.73804	1.2
83.67421	1.5
91.75058	1.3
93.07045	1.8
107.08593	2.7
109.65321	1.6
117.72215	1.4
121.10172	1.9
133.10190	1.4
136.06186	1.6
145.10107	2.5
147.08067	2.0
167.10704	3.5
168.67212	1.4
174.09225	2.9
185.34012	1.5
188.56757	1.5
189.12834	2.0
233.15375	3.5
243.11357	9.1
259.90344	1.7
267.11304	1.9
277.09695	3.0
287.14145	2.0
291.11169	2.1
319.10565	4.5
336.12381	5.9
370.15677	7.1
388.16513	10.0
396.13211	1.8
398.15329	1.8
478.20483	5.8
479.20367	2.1
487.21396	3.1
491.21005	6.5
505.22452	7.1
507.24289	1.8
515.20740	3.5
517.22522	3.0
519.20459	7.9
533.21930	6.0
543.20428	2.9
551.22742	2.0
561.20874	9.9
569.24011	5.9
579.22394	59.7
629.26062	100.0
629.42078	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	629.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.7
56.64927	1.8
60.20904	1.7
79.05492	2.3
81.07050	2.2
93.07051	2.2
105.07061	3.7
107.08609	3.5
119.08585	3.9
121.10130	8.4
133.10144	3.2
135.92419	2.1
145.10124	2.8
147.11746	2.5
159.11613	2.2
197.13272	2.5
199.14810	2.3
210.23952	2.7
215.14235	2.3
256.26453	3.6
321.09982	5.1
322.10190	3.3
336.12332	14.9
337.12601	21.9
433.86169	2.5
462.20447	11.0
463.21103	9.7
479.20428	2.6
488.18582	26.4
489.18680	16.6
506.19427	26.1
507.20215	100.0
517.22168	7.6
535.23804	7.8
553.24713	2.4
579.22351	88.1
593.24164	2.9
611.24414	4.3
629.25635	91.1
629.42114	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	629.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98456	0.8
54.75952	0.7
60.36539	0.9
75.22292	0.8
90.50702	1.0
104.99806	1.2
136.07599	1.1
146.62636	1.1
165.68619	1.1
174.09225	4.8
195.65443	1.1
211.56575	0.9
211.59142	1.0
225.10196	1.2
227.11728	1.3
233.15428	1.3
243.11380	8.6
251.08296	1.0
255.11307	1.1
267.11401	1.9
277.09802	2.1
287.13916	1.6
317.26321	1.1
319.10745	9.0
350.15274	1.4
359.12750	1.3
360.17233	1.2
360.91812	1.2
368.13986	1.9
370.15619	6.2
372.17502	1.5
380.13943	1.2
382.15643	1.3
388.16904	6.7
390.14410	2.0
394.15680	1.5
396.13309	2.3
398.15201	1.9
410.15338	1.4
448.15030	1.3
464.22507	1.2
465.22986	1.8
476.18851	1.5
478.20596	2.2
479.20660	1.9
481.22534	1.3
487.21320	4.7
490.20776	2.0
491.20917	4.6
492.21710	1.4
493.22427	1.9
501.19333	2.0
502.20380	1.2
505.23151	8.1
507.23972	1.6
515.20758	4.5
517.22345	5.6
519.20166	8.0
523.23981	1.7
533.21887	10.0
535.23291	3.8
537.21527	1.7
543.20404	5.1
551.22760	2.2
561.21387	10.3
569.24310	7.6
579.22424	69.9
629.26093	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13290	0.5
52.64725	0.5
55.05521	0.6
57.07095	0.7
61.44872	0.5
64.96144	0.6
66.39585	0.5
67.05501	2.5
69.07075	1.1
70.44044	0.6
79.05505	1.5
81.03431	0.9
81.07066	2.9
83.08627	0.8
90.45305	0.7
93.07062	3.7
95.04996	0.8
95.08593	1.5
105.07084	0.7
107.08571	1.5
109.10150	1.3
119.08588	1.0
121.10181	1.0
121.66816	0.6
124.48071	0.8
125.06768	0.6
125.09636	0.7
131.08623	0.6
133.10159	0.7
161.13158	0.7
192.76891	0.7
223.37572	0.6
277.21735	2.6
335.26016	0.9
351.25464	0.9
506.95804	0.6
611.46558	4.8
629.27368	100.0
629.47430	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	629.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	7.2
55.37012	1.4
57.03448	2.6
57.07093	2.9
58.16535	1.6
67.05504	6.5
68.27785	1.4
69.03428	19.2
69.07058	7.0
71.04996	26.4
73.02914	3.0
73.06559	6.2
81.07050	12.6
83.08614	3.3
85.02907	81.8
85.06531	15.3
91.05465	1.9
93.07005	2.4
95.08605	10.8
96.87295	1.4
97.02895	94.9
97.10175	15.1
107.08597	42.0
109.10156	27.0
115.03929	83.3
119.08585	7.9
121.10127	5.7
123.11712	10.0
125.09632	52.0
127.03893	17.1
127.11168	7.2
131.08588	2.6
133.10133	5.7
135.11655	3.1
141.12762	8.0
143.08563	2.8
143.10672	100.0
145.10130	6.6
147.11688	7.6
149.13268	3.6
157.04956	99.2
157.10092	2.9
159.11676	6.7
161.13232	7.0
169.10085	3.1
171.11635	6.6
173.13240	7.7
175.06007	83.8
175.14806	6.1
183.11725	2.3
185.13264	10.2
187.14856	5.8
189.16396	1.9
197.13197	3.0
199.14835	3.8
201.16295	2.1
209.13284	2.3
211.14795	2.6
211.90392	1.6
223.14775	1.8
249.16342	1.8
249.51048	2.1
251.17947	3.1
253.19397	2.0
265.19406	2.1
267.20987	1.9
279.21075	6.4
293.22528	2.3
320.09329	2.3
321.09540	2.1
419.33096	17.3
437.34158	38.8
437.39822	3.1
455.35040	8.4
611.39392	15.1
612.58331	1.8
629.30487	2.3
629.40503	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	629.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	11.3
57.07064	2.8
67.05501	9.6
69.03435	32.4
69.07075	10.1
71.04998	40.9
73.06548	3.2
81.07072	17.3
83.04966	2.2
83.08615	8.4
85.02908	11.0
85.06546	14.4
91.05489	3.3
93.07058	3.3
95.08594	17.4
97.02899	41.3
97.10166	18.1
99.08097	2.2
105.07069	4.8
107.08593	47.3
109.10147	58.8
115.03916	28.9
117.07031	2.8
119.08604	10.0
121.10133	9.0
123.11697	26.6
125.09627	67.2
127.11177	9.7
131.08591	4.0
133.10129	5.4
135.11673	5.5
139.55463	2.1
141.12762	20.4
143.08601	3.8
143.10680	100.0
145.10094	9.1
147.11702	9.7
149.13232	4.8
157.04985	17.1
157.10118	11.1
159.11679	13.7
161.13257	9.9
169.10159	4.2
171.11671	8.5
173.13261	10.5
175.06049	13.7
175.14879	4.0
183.11670	5.4
185.13251	19.8
187.14836	5.5
188.08536	2.5
197.13350	3.2
199.14810	4.6
209.13258	2.4
211.14917	3.1
215.17990	3.0
217.19518	3.1
223.14825	3.8
237.16345	3.6
239.17798	2.7
243.17372	2.5
251.18062	2.9
253.19519	3.3
277.19598	2.6
279.20877	7.8
297.22107	3.5
320.09158	5.2
321.09473	3.7
419.33057	28.6
419.41983	3.0
437.34100	46.1
455.35446	17.6
593.37628	3.8
611.39227	15.7
629.40625	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	629.4044
Annotation	(4R)-11-(3,5-dihydroxyphenyl)undecan-4-yl-2-[(8R)-8-(acetyloxy)undecyl]-4,6-dihydroxybenzoate
Peak:m/z	Relative Intensity
55.05517	5.1
55.19702	2.0
56.61259	1.9
57.07084	2.7
67.05502	5.1
69.03419	30.2
69.07068	3.9
71.04987	30.1
72.68188	2.2
73.02922	3.1
73.06540	4.5
79.05489	3.2
81.07063	10.9
81.72629	1.9
83.04974	3.4
83.08627	5.6
85.02910	87.2
85.06540	14.6
89.39011	2.2
92.72611	2.4
93.07011	3.3
95.08611	10.3
95.68777	2.1
97.02892	100.0
97.10172	12.7
105.07001	2.9
107.08590	47.4
109.10154	31.6
115.03934	69.5
115.23560	2.2
117.07059	2.4
119.08596	5.6
121.10150	5.5
123.11679	10.5
125.09623	51.9
127.03924	15.2
127.11192	11.9
131.08516	2.4
133.10081	3.3
141.12759	11.7
143.08624	3.3
143.10670	95.3
145.10100	3.5
147.11713	4.5
157.04968	91.8
157.10158	3.6
159.11667	12.0
161.13333	4.1
169.10193	3.3
171.11719	4.7
173.13240	4.7
175.06004	86.5
183.11641	3.3
185.13225	9.9
187.14809	3.8
195.11662	3.4
197.13324	3.1
199.14720	2.6
209.13210	2.4
213.16446	3.0
223.14877	2.7
225.16350	4.6
227.17874	2.5
238.22343	2.3
251.17929	3.2
279.21039	5.1
293.22562	3.1
296.61414	2.2
297.73605	2.3
320.09128	19.4
321.09357	17.2
419.33090	23.3
437.34235	38.0
455.35275	4.7
509.81970	2.5
513.90613	2.6
611.39197	10.5
629.31769	3.2
629.40686	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	629.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	2.5
55.05501	12.7
56.16345	2.9
57.07075	3.4
60.86431	2.4
60.91949	2.6
64.30138	2.7
67.05495	14.3
69.03435	76.9
69.07059	15.4
71.05000	37.4
73.06560	3.0
73.33636	2.8
73.52995	2.6
74.59220	2.5
79.05507	6.2
81.07062	28.4
83.04955	3.3
83.08607	6.8
85.02850	3.0
85.06539	14.0
86.22639	2.9
87.04491	3.1
91.05532	4.3
93.07047	18.2
95.08597	36.3
97.02888	90.5
97.10149	18.5
99.08092	12.7
105.07011	11.4
107.08595	58.8
109.10169	72.3
115.03922	61.1
117.07005	3.4
119.08569	28.0
120.36269	2.9
121.10142	28.8
123.11704	45.4
125.09632	53.9
127.11205	28.4
129.06999	11.0
131.08563	19.1
133.10094	27.0
135.11697	14.6
137.13173	4.1
141.12708	27.1
143.08601	17.6
143.10667	82.4
145.10092	27.9
147.11691	30.9
149.09657	3.2
149.13222	12.7
157.10146	17.8
159.11627	24.6
161.13252	18.3
163.14792	4.7
165.12733	3.6
169.10063	5.8
171.11652	25.3
173.13231	26.7
175.06042	12.7
175.11377	3.2
175.14798	12.6
183.11685	15.4
185.13260	25.1
187.14824	16.9
189.16418	4.2
197.13203	6.1
199.14815	14.2
201.16393	6.3
203.14322	4.6
209.13364	4.7
211.14771	13.3
213.16425	5.7
215.17935	11.1
223.14867	12.8
225.16315	6.1
227.17897	4.1
237.16283	12.8
239.17958	4.1
251.18018	11.7
253.19440	3.9
277.19614	4.8
279.21146	6.0
284.31186	3.7
297.22101	5.9
320.09189	13.0
321.09436	3.9
333.25702	3.1
336.12326	17.4
401.32248	4.8
419.33124	52.9
421.34668	3.5
437.34158	100.0
455.35220	29.9
593.37897	4.6
611.39795	22.5
629.40735	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	629.4046
Annotation	(4R)-11-(3,5-dihydroxyphenyl)undecan-4-yl-2-[(8R)-8-(acetyloxy)undecyl]-4,6-dihydroxybenzoate
Peak:m/z	Relative Intensity
53.64097	2.0
54.07054	2.1
55.05510	4.6
57.03442	24.4
57.07076	5.7
63.02358	2.2
67.05523	21.9
69.03434	4.5
69.07071	31.0
73.02915	55.5
79.05477	5.5
81.07056	29.2
83.08607	4.7
85.02914	12.2
91.05474	6.1
92.21236	8.9
93.07022	26.6
93.58532	2.1
95.04929	3.2
95.08608	44.2
97.02905	3.8
97.06548	3.2
97.09578	2.2
97.10183	12.5
97.77133	2.3
105.07058	23.4
107.08592	31.1
109.10159	57.3
111.11740	3.8
115.03936	4.0
117.07027	5.0
119.08584	39.9
121.10142	32.1
123.11729	12.1
124.06156	2.3
125.09645	3.7
131.08588	11.5
133.10109	24.8
135.08017	4.1
135.11684	16.8
137.13239	2.7
143.08546	11.1
145.10138	35.4
147.11693	19.5
149.09668	3.0
149.13229	4.8
155.08563	11.5
157.10107	23.7
159.11693	21.7
161.13284	20.5
167.08585	2.7
169.10123	19.9
171.08006	2.5
171.11700	26.8
173.13345	20.3
175.14839	4.0
181.10133	9.2
183.11671	20.2
185.13268	15.3
187.11368	2.6
187.14813	14.3
193.10124	3.8
195.11664	16.0
197.13315	21.1
199.14804	13.8
201.16455	4.3
207.11691	5.9
209.13324	18.8
209.46477	2.7
211.14778	10.9
212.10719	2.9
213.16382	14.1
221.13252	9.0
222.14151	3.1
223.14742	12.2
225.16344	14.6
227.17963	16.4
233.15442	3.6
235.14772	12.1
237.16403	28.7
239.17938	16.5
241.19417	4.6
249.16394	13.6
249.91843	2.5
251.17903	14.0
253.19424	20.0
255.21069	3.1
265.19479	16.5
267.21069	11.0
270.28714	4.6
275.17950	4.4
277.09760	3.6
277.19458	17.3
279.20990	13.7
281.18799	2.7
290.20139	3.6
291.21045	13.0
292.21887	18.3
293.22644	10.0
313.21527	3.7
317.22781	3.3
345.25497	3.1
391.33374	3.7
401.13470	6.0
401.32074	31.2
414.14481	3.5
419.33038	66.7
430.17383	4.4
437.34119	5.8
444.18900	3.6
445.19772	2.7
458.16925	3.6
461.34003	27.1
479.35214	100.0
489.19055	19.0
497.36090	49.4
551.37354	24.4
569.38257	10.5
593.37939	4.4
597.23236	5.8
611.39618	27.6
612.52789	2.5
629.25793	39.8
629.40808	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	629.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.3
55.91652	1.7
57.03446	3.0
57.07091	2.8
58.60889	1.7
66.54916	1.9
67.05495	2.0
69.03430	20.6
69.07052	4.2
71.04990	11.9
73.02914	4.2
79.05490	2.2
81.07048	10.3
83.08624	4.1
85.02429	4.0
85.02909	82.5
93.07077	3.6
95.08598	9.5
97.02895	100.0
99.08064	2.7
105.07050	3.7
107.08595	19.6
109.10157	24.9
115.03934	75.6
119.08563	9.9
121.10210	2.6
123.11714	10.5
125.09611	19.0
127.03925	11.9
127.11191	4.6
131.08592	9.3
132.76839	2.3
133.10167	3.9
135.11632	4.6
141.12752	4.2
143.08568	4.2
143.10652	27.3
145.10121	4.7
147.11693	11.8
157.04959	92.3
157.10072	4.0
159.11705	3.8
161.13232	4.0
171.11652	3.5
173.13313	4.5
175.04492	4.3
175.06012	83.8
185.13278	10.8
187.14871	3.2
199.14897	3.6
201.16438	2.7
209.13289	2.3
223.14766	3.6
235.14810	2.6
253.26666	2.1
269.04385	2.4
336.17078	2.2
398.33453	2.8
419.33121	17.9
437.34143	23.1
455.35193	8.3
511.47260	2.4
593.38416	3.0
611.39447	3.4
629.40350	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	629.4749
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	1.0
58.79737	0.7
83.08635	0.8
92.20964	1.0
95.08581	1.4
101.98084	0.7
119.95099	0.7
273.45044	0.8
313.27795	1.1
317.21280	0.9
445.99197	0.9
629.47443	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4747
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47987	1.7
51.77776	2.1
70.85483	2.1
74.20916	2.3
81.22879	2.2
122.30370	2.4
135.76527	2.6
156.18982	2.6
365.22940	2.6
629.37732	4.5
629.47382	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	8.2
57.03440	3.6
57.97504	1.8
60.37022	1.7
67.05508	25.6
69.07071	4.9
71.03609	2.0
71.08627	8.3
79.05487	17.0
81.07065	29.2
83.08625	4.6
91.05488	13.3
93.07034	27.4
94.65636	2.1
95.08613	20.8
99.08099	11.0
105.07044	4.8
107.08622	15.7
109.10151	12.5
117.07056	3.2
119.08604	10.0
121.10130	13.6
131.08578	4.6
133.10162	8.9
135.11679	10.7
146.22420	2.1
147.11676	4.1
149.13243	3.2
151.11147	2.4
151.69894	2.5
159.11734	4.2
161.13217	8.4
173.13170	2.2
179.14333	13.0
185.20557	2.2
191.06471	2.4
217.95488	2.2
261.22067	2.8
277.21640	8.8
287.19907	2.7
290.27011	2.8
335.25757	5.1
351.25311	9.4
436.72858	3.0
438.30334	2.3
508.24350	8.2
509.25629	3.9
511.26978	3.7
525.27887	2.9
537.25006	4.5
541.24292	2.3
569.27081	3.9
611.46680	50.5
629.29974	64.5
629.47308	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.5052
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05044	1.2
57.07074	1.0
57.88924	0.5
58.06615	0.7
66.46723	0.5
67.05536	0.5
70.51209	0.6
71.24152	0.6
74.06097	4.2
81.07061	1.0
86.06092	0.6
88.07639	2.8
91.05486	0.7
91.22126	0.6
97.10189	0.6
106.23929	0.6
118.08641	2.2
121.10131	1.0
122.08153	5.1
135.11658	0.8
154.12273	3.1
211.39653	0.6
221.38205	0.6
242.24762	21.4
242.26920	0.8
272.22388	0.5
272.25714	1.4
290.26889	89.4
292.09653	4.6
318.68900	0.6
320.05441	1.3
320.09177	37.2
321.09949	10.4
336.12292	100.0
337.12555	1.3
630.33844	22.6
630.48523	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	630.505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45516	0.2
52.22857	0.2
53.34303	0.2
56.05044	3.0
57.07072	1.3
58.06609	2.9
67.05519	0.3
67.05853	0.2
71.08632	1.3
74.06077	4.2
84.20620	0.2
85.10181	0.4
86.06047	0.9
88.07627	2.6
104.07105	0.4
118.08653	1.9
119.08611	0.3
122.08139	6.9
136.12036	0.2
154.12273	5.1
165.83737	0.2
171.14931	2.7
214.14430	0.4
228.23074	0.3
242.24773	26.0
260.04138	0.2
272.25867	1.5
290.26883	100.0
336.12369	0.5
341.24341	1.1
603.20459	0.3
630.49615	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	631.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60838	0.6
75.90003	0.7
125.62802	0.7
126.90874	0.7
142.63629	0.9
168.29930	0.8
301.16696	0.7
508.18964	1.1
522.20453	7.0
533.26099	1.0
537.22607	38.9
555.23883	7.5
581.21521	4.2
587.26410	8.2
613.24390	8.2
631.25311	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77540	1.7
55.05523	1.6
67.05519	3.1
69.07065	4.1
69.60231	1.5
74.61028	1.5
79.05492	1.8
81.07050	8.0
86.99154	1.8
93.07041	1.8
95.08614	8.1
98.97591	1.8
105.07035	8.9
107.08597	9.3
109.10166	12.2
114.35641	1.8
116.86580	1.4
119.08612	9.0
121.10143	7.1
131.08545	2.3
133.10135	4.2
135.11670	2.9
143.08650	2.9
145.10172	2.7
147.11726	1.7
157.10085	2.4
159.11736	3.9
161.13287	2.7
161.16263	1.7
171.11713	3.9
173.13165	3.4
183.11806	2.1
183.92587	1.6
185.13292	1.6
285.27707	2.0
400.57300	2.3
449.26999	3.6
457.27972	6.6
475.28922	12.1
491.28342	4.1
493.29968	8.6
517.29272	2.1
532.46735	1.9
535.31104	4.1
561.28406	1.9
631.35083	100.0
631.45581	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	631.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77913	1.6
52.29398	1.8
67.05506	4.6
69.07061	2.9
72.67272	2.3
72.93038	1.8
79.05488	2.8
81.07052	10.2
92.21352	2.9
93.07024	4.4
95.08607	8.0
98.16898	2.1
98.91960	2.0
98.97578	1.9
105.07006	4.1
107.08605	9.2
108.18873	2.2
109.10136	9.4
116.98618	2.3
118.39357	1.9
119.08595	4.8
120.14522	2.0
121.10126	4.1
128.11562	2.3
131.08566	3.2
133.10141	4.2
134.16612	2.2
145.10060	3.2
147.11668	4.0
157.10139	4.1
159.11687	3.8
169.10095	2.2
171.11769	2.7
173.13260	2.7
175.14771	2.1
185.13216	2.2
187.14836	2.9
198.08252	2.0
199.14806	2.7
272.30536	2.7
368.25342	2.2
449.27646	2.3
457.27832	3.5
464.49377	2.3
475.28812	19.7
493.30109	2.6
535.30890	2.4
594.17145	2.3
631.35034	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.384
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04651	3.1
67.05506	5.8
81.07030	7.6
85.02893	6.5
93.07034	15.1
95.01366	4.9
95.08598	22.3
107.08601	9.1
109.10158	14.9
119.08574	17.0
121.10136	19.9
123.11666	4.0
125.13454	4.3
133.10106	30.5
135.08069	4.4
135.11716	19.9
141.01805	25.9
145.10060	7.4
147.11690	18.5
149.13252	5.5
159.02849	4.0
159.11633	5.2
161.13251	7.0
173.13123	5.3
175.14822	18.3
179.53848	4.2
183.98288	3.6
187.14828	8.5
189.16388	17.2
200.47374	4.2
201.16377	4.5
215.14308	5.4
217.15883	5.3
320.09167	17.6
325.25659	5.2
335.37836	4.4
406.04935	4.2
425.34070	7.5
430.68686	4.4
437.34167	66.9
455.35217	70.9
613.36920	25.0
631.38892	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	631.384
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75422	1.3
55.05516	3.0
67.05505	20.5
69.03439	3.0
69.07071	14.0
79.05498	9.3
79.52926	1.5
79.76234	1.8
81.07060	47.7
83.08627	6.6
85.02905	7.1
85.06538	2.7
91.05461	2.8
93.07045	11.4
95.04932	2.6
95.08607	19.1
97.02884	1.6
99.08084	9.5
105.07037	18.3
107.08597	24.6
109.06519	3.4
109.09437	3.6
109.10165	98.9
111.08101	3.0
119.08594	23.9
121.06473	4.2
121.10129	22.4
123.08092	7.9
123.11736	3.1
125.09621	2.3
131.08557	7.1
133.06541	2.0
133.10110	19.4
135.08070	37.5
135.11703	7.3
136.47012	1.7
137.09618	8.9
143.08531	3.0
145.10091	12.2
147.08122	2.3
147.11681	19.1
149.05917	2.3
149.09633	11.1
149.13245	6.4
150.64735	1.7
155.08510	2.5
157.10132	15.1
159.07985	2.2
159.11681	15.3
159.38518	1.7
161.09630	17.1
161.13251	9.1
169.10130	3.9
171.11655	9.2
173.09683	2.8
173.13257	10.0
175.11218	6.4
175.14836	32.7
176.25421	1.6
177.12701	1.9
181.10054	2.1
182.10838	2.1
183.11693	9.0
185.09686	8.9
185.13274	14.6
187.11176	10.0
187.14774	4.0
189.12717	3.2
189.16484	2.5
191.14467	2.0
195.11893	2.1
197.13258	6.6
199.11259	2.4
199.14824	7.0
201.12743	10.9
203.14276	10.7
206.11214	1.8
209.13303	6.7
211.11232	2.2
211.14830	2.9
213.12817	2.2
213.16336	3.6
215.14267	8.6
217.15843	2.7
223.14774	3.6
225.12807	3.2
225.16435	3.6
227.14268	4.2
229.15898	2.4
231.17508	2.3
237.12868	1.8
237.16402	2.2
239.14279	2.1
241.15935	14.8
249.16312	1.8
251.17859	2.3
253.15829	3.5
255.17404	3.1
257.15256	2.5
257.19031	2.6
265.16043	2.3
267.17337	6.4
283.16977	6.2
285.18478	6.6
295.20554	1.8
307.20587	3.4
318.00967	1.8
335.14725	1.9
335.23578	3.1
349.25342	2.5
353.24445	3.4
359.23715	2.8
375.26639	2.3
377.24744	3.3
415.29791	25.5
433.31009	90.1
451.32050	100.0
452.44434	2.1
452.51062	1.9
454.04175	2.1
550.04193	1.7
624.98224	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	631.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.0
55.05507	3.9
61.02930	3.0
62.81676	2.6
67.05507	24.1
69.03437	30.4
69.07066	16.7
73.02909	2.5
76.12049	2.5
79.05514	2.9
81.03392	11.0
81.07064	30.6
83.04974	3.0
83.08661	4.0
85.02908	63.6
85.06534	3.8
87.04483	5.9
88.22813	3.1
93.07043	14.7
95.08619	18.9
97.02882	32.9
97.10172	4.8
99.04436	3.4
99.62833	2.7
105.07024	14.7
107.08589	19.7
109.02856	14.4
109.06526	3.9
109.10162	95.6
111.08121	3.0
119.08576	15.1
121.10127	11.3
123.08050	5.5
123.11668	6.2
127.03896	17.4
131.08566	13.0
133.10112	12.7
135.07993	4.2
135.11687	5.5
143.08617	3.4
145.04971	5.5
145.10114	15.1
147.11714	12.7
149.09579	3.2
149.13252	3.7
153.47147	2.7
155.08446	3.2
157.10132	5.8
159.11665	4.5
161.13274	5.6
163.07578	3.5
169.10138	5.5
171.08080	4.1
171.11726	5.4
173.09634	11.9
173.13251	6.0
175.11238	3.2
175.14795	2.9
180.83661	3.4
181.10117	5.8
183.11639	5.4
185.09612	13.1
185.13245	6.5
187.11253	5.1
187.14810	4.6
193.10162	3.4
195.11626	5.4
197.09674	6.0
197.13167	5.3
199.11189	5.4
207.11717	5.9
209.13272	5.8
211.11157	18.3
211.14825	3.7
220.92119	3.2
221.13239	4.4
223.11354	4.3
224.11687	3.6
225.12715	5.9
227.14401	3.6
229.15768	3.5
233.13121	4.5
237.12720	4.8
237.16307	3.5
251.14265	4.5
251.17908	3.4
265.16028	3.1
281.18994	3.5
291.21130	4.8
293.19104	5.0
309.22064	10.7
321.22253	9.6
323.23495	4.9
335.23538	3.5
339.23300	4.8
351.23337	21.0
369.24176	18.5
387.25204	6.1
403.29819	11.4
404.52081	3.0
415.13965	3.0
415.29907	5.2
418.51474	2.9
433.30988	27.2
451.32065	100.0
469.33133	23.4
613.37067	38.3
631.38641	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	631.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	3.6
55.05524	23.7
56.83083	3.1
57.03452	3.7
57.07063	3.3
58.61083	2.9
58.76422	2.5
61.02934	6.1
61.69125	2.7
62.04251	2.5
63.92526	2.5
67.05501	25.3
69.03435	30.9
69.07083	26.6
71.05022	4.2
79.05491	4.9
81.03429	13.5
81.07066	40.3
82.59953	3.2
83.04979	24.6
83.08613	3.9
85.02904	78.4
85.06525	4.0
86.66404	3.0
91.03927	3.7
91.05497	4.1
93.07038	27.2
95.08616	40.7
96.70512	3.6
97.02876	36.5
97.06539	8.4
97.10178	5.6
99.04456	14.3
99.08092	16.3
103.03957	13.7
105.07019	14.6
107.08596	38.7
109.02896	16.2
109.06495	7.4
109.10155	100.0
111.08089	35.9
117.06975	5.4
119.08564	18.6
121.10123	25.3
123.11705	14.3
127.03934	41.4
131.08560	13.8
133.10135	14.5
135.08002	4.6
135.11674	24.6
139.11203	6.0
143.08568	7.5
145.04968	14.5
145.10136	18.1
147.08081	4.2
147.11696	17.7
149.13217	5.8
151.11163	3.6
153.12894	3.3
157.10095	6.9
159.08098	5.0
159.11676	7.9
161.13246	5.4
169.10123	8.0
169.83945	3.2
171.11702	16.7
173.09624	6.7
173.13266	7.1
175.14871	5.1
185.09618	6.5
185.13174	6.4
187.14818	17.9
191.17915	3.8
197.13243	8.3
199.11180	7.3
201.12730	4.5
207.11765	5.4
209.13275	4.5
209.19011	24.0
211.11214	7.1
213.12782	5.5
223.14778	3.8
225.16202	4.5
231.13818	6.4
235.14722	3.8
237.16289	3.9
239.14285	3.9
251.14461	5.7
263.17883	4.6
289.25244	4.3
293.22778	3.4
303.21011	3.7
307.20663	4.2
307.26428	38.9
309.22119	15.0
321.22177	6.5
323.13965	5.2
325.27469	47.4
333.22083	5.8
339.23120	4.1
351.23096	6.9
369.24149	21.6
413.26895	4.1
415.29626	5.6
433.30905	25.1
451.32123	93.6
469.32922	28.6
613.37488	34.4
631.38452	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	631.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35001	3.1
53.73796	3.5
55.01865	3.3
55.05515	18.3
57.07079	6.1
60.87255	4.0
67.05502	34.3
69.03416	28.5
69.07071	38.2
71.04993	4.7
79.05495	9.6
81.03416	15.4
81.07065	78.1
83.04976	24.1
83.08624	8.4
85.02911	67.2
89.14021	4.1
92.21580	4.3
93.07050	32.7
95.08604	57.6
97.02889	35.5
97.06533	7.9
99.04468	9.7
99.08097	37.2
103.03966	23.9
105.07030	21.5
107.08587	41.4
109.02873	7.4
109.06538	9.4
109.10156	100.0
111.08066	38.4
114.09150	4.7
117.07006	4.5
119.08578	44.7
121.10165	40.7
123.08035	5.2
123.11726	15.6
125.09607	6.2
127.03893	48.5
131.08582	9.5
133.10126	32.5
135.11696	18.0
137.09660	4.5
139.11200	5.0
140.96278	4.2
143.08530	9.3
145.04964	6.5
145.10136	28.7
147.11690	19.4
149.13264	6.9
157.10129	23.9
159.11696	25.5
161.13287	18.4
169.10091	7.9
171.08029	4.9
171.11693	26.0
173.13220	8.6
175.14832	20.3
183.11693	15.8
185.13252	28.9
187.11305	4.9
187.14824	9.6
189.12631	5.2
197.13193	9.5
199.11105	5.1
199.14839	15.5
201.16280	5.9
207.11578	4.9
209.13342	6.0
209.18959	29.2
211.14740	9.7
213.12585	5.1
221.13257	7.6
222.13954	4.5
223.14787	4.4
225.16267	7.2
231.13708	8.2
239.14287	5.1
249.14870	6.5
277.19397	5.1
281.19031	5.8
295.20322	5.7
307.26315	36.8
325.27460	47.8
351.23209	6.7
369.24167	9.0
379.84326	5.2
415.30173	16.8
433.30859	55.7
451.32059	96.5
469.33179	49.0
613.37122	35.7
631.16534	5.2
631.28497	4.1
631.38385	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	631.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03321	1.3
51.56007	1.2
55.05509	3.3
57.07080	2.7
67.05502	6.5
69.03424	9.9
69.07059	3.8
70.25833	1.5
71.05006	2.1
76.26682	1.4
78.01636	1.4
79.05493	4.0
81.07061	10.9
83.04980	6.6
83.08639	3.7
83.39587	1.4
85.06523	1.3
89.06019	1.8
91.05489	8.3
92.20962	1.7
93.07044	14.1
95.04973	7.1
95.08596	9.4
97.06528	3.5
100.11269	3.6
101.07148	3.5
105.07018	12.5
107.04955	2.4
107.08598	29.9
109.06516	8.8
109.10160	10.3
111.08042	2.2
117.06992	1.7
119.08599	16.3
121.06502	6.4
121.10140	26.5
123.08037	3.5
125.09624	2.7
129.06993	2.0
130.07857	1.5
131.08568	12.1
133.06453	1.7
133.10130	100.0
135.08029	18.4
135.11732	3.7
137.09624	62.5
143.08565	7.1
145.10124	10.0
147.08041	9.0
147.11745	3.1
149.09595	6.4
149.13261	9.8
151.07564	9.7
151.11185	2.2
155.08521	1.7
157.10184	8.1
158.10941	2.0
159.08023	6.6
159.11659	7.1
161.09657	3.4
161.13203	2.3
165.09114	9.4
167.10692	10.5
169.10092	2.8
171.08002	2.8
171.11678	9.5
173.09592	2.6
173.13226	12.6
177.09227	2.2
181.12248	2.3
183.11732	3.4
187.14885	1.7
189.12738	3.5
191.14290	36.5
193.10124	2.1
195.11716	6.2
197.13354	2.2
199.11185	3.2
203.14253	2.3
207.13763	2.4
209.13409	1.9
209.15379	9.2
211.11243	2.1
211.14836	2.6
213.12712	7.5
215.14272	3.0
215.91786	1.9
221.13232	2.4
221.15268	5.5
222.13885	1.9
223.14874	1.6
231.13687	2.1
233.13396	2.5
233.15334	19.6
235.14786	2.5
463.76981	1.7
537.22424	8.1
581.21667	3.2
587.24738	1.6
595.38239	12.5
613.38800	19.3
631.25018	75.3
631.39697	56.5
631.49713	12.0
638.38092	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	631.42
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.9
67.05494	3.6
69.03427	24.6
69.07053	8.4
70.49968	2.0
71.05000	10.0
73.02901	2.3
79.05465	1.9
80.67621	2.0
81.07047	13.4
85.02903	89.7
91.05421	3.2
93.07050	6.9
95.08598	20.2
97.02890	100.0
97.10159	3.3
99.08134	3.1
105.07022	4.8
107.08589	12.5
109.10152	39.4
115.03929	74.1
119.08555	11.6
121.10147	12.2
122.84913	1.9
123.08082	2.3
123.11700	10.7
127.03918	23.9
127.11210	11.7
131.08569	3.5
133.10120	5.0
135.11707	9.3
137.13234	2.6
141.12779	4.3
143.08557	4.5
145.10086	7.1
147.11684	10.5
149.13225	8.0
157.04956	99.4
157.10074	4.0
159.11662	8.6
161.13219	10.7
169.10150	2.4
171.11714	9.0
173.13249	7.7
175.06021	91.8
175.14828	3.9
183.11792	2.3
185.13222	18.4
187.14818	8.8
197.13281	2.4
199.14796	2.1
208.99239	1.9
211.14705	3.7
211.78819	2.1
213.16362	4.8
225.16420	3.5
227.17978	10.1
239.17874	3.4
240.18733	10.7
245.18796	3.4
253.19531	3.2
256.04248	2.2
293.23032	2.2
323.97562	2.2
403.33597	2.9
421.34711	29.6
430.38223	2.3
439.35721	46.4
457.36642	8.2
595.39856	4.5
613.40649	3.9
631.42450	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	631.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42936	3.8
56.10546	4.2
57.07065	4.0
61.03337	4.3
67.05511	8.7
69.03426	17.8
69.07053	4.6
71.04985	18.3
78.66954	3.8
81.07053	8.9
83.08613	6.7
85.02902	85.7
95.08597	26.4
97.02887	100.0
105.07043	7.0
107.08574	27.6
109.10150	36.2
115.03936	51.3
119.08588	6.9
121.10132	11.6
123.11727	6.4
127.03939	21.1
127.11204	11.5
133.10101	7.2
145.10130	6.0
147.11723	7.7
157.04962	79.7
161.13257	7.2
171.11693	6.8
173.13251	7.0
175.06015	91.8
185.13223	26.4
187.14810	7.6
197.13193	6.1
206.71548	4.6
227.18098	7.7
229.40527	6.3
240.18585	7.0
256.52200	5.7
299.88223	4.6
321.14233	4.7
393.72717	6.1
421.34686	32.0
439.35788	46.9
631.39532	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	631.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	1.1
70.72093	0.7
79.05504	0.9
81.07047	1.5
90.72790	0.7
93.07053	1.2
94.82742	0.8
95.08620	0.9
96.13293	0.7
107.08598	0.9
137.65929	0.7
237.56288	0.6
242.24837	1.3
290.26929	7.0
292.09793	3.5
293.10107	1.0
317.17841	28.6
317.21390	0.9
320.09244	11.5
321.09830	17.2
322.10373	1.6
333.17349	1.2
335.15311	4.6
335.18921	95.2
336.12292	100.0
336.19131	5.0
337.12671	25.0
352.21503	1.1
353.19931	33.9
354.20395	0.9
358.20612	3.3
371.20987	1.1
595.40265	20.8
613.41583	6.7
631.36804	36.7
631.45398	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	631.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11974	0.6
50.19292	0.6
52.05033	0.6
55.56453	0.6
56.60012	0.6
113.56818	0.9
131.95673	0.9
144.22484	0.7
248.06628	0.8
379.67685	0.7
473.76047	0.8
631.49078	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.05515	3.8
57.50811	0.3
57.54191	0.4
64.10988	0.3
69.03423	1.9
81.03425	3.8
82.06590	20.9
85.02896	1.6
92.87252	0.4
94.06577	0.9
96.08112	0.9
97.02338	0.5
97.02875	3.9
100.07613	1.9
109.02895	6.9
111.04447	0.9
114.09162	2.4
122.06020	2.6
124.07616	4.8
126.05524	0.5
127.03941	3.2
128.07083	100.0
140.07088	3.2
142.08632	5.5
145.02861	2.7
145.04968	0.5
168.06557	4.4
177.05481	5.2
186.07648	2.0
187.06010	2.5
188.09171	3.5
189.49402	0.4
277.05203	0.4
286.13092	0.9
296.11395	2.0
301.07062	37.2
314.12384	4.0
332.13394	18.4
332.17392	0.6
375.03888	3.0
453.25937	0.4
508.11938	1.5
632.19775	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	632.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03574	0.3
69.32357	0.3
69.34894	0.3
71.33188	0.3
71.38094	0.3
73.23261	0.3
85.02879	0.3
137.09599	0.8
139.71896	0.3
179.02391	0.4
211.43456	0.3
255.47792	0.4
276.06650	0.7
290.08118	7.5
302.08078	2.1
304.06021	7.4
318.04202	0.4
318.07623	9.7
319.08398	48.1
325.40805	0.3
331.19019	0.5
334.10736	100.0
349.20053	0.5
422.10376	0.7
436.11783	1.8
437.12839	1.3
452.14822	4.3
470.16016	0.8
598.16937	0.5
614.20160	0.4
632.21259	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	632.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
62.25297	0.3
66.55287	0.3
70.41058	0.3
78.61777	0.3
86.51257	0.3
88.94981	0.4
89.01604	0.3
97.36855	0.4
118.85942	0.4
121.84711	0.4
140.11313	0.4
195.40349	0.4
236.85052	0.4
284.05225	0.4
290.05270	0.6
290.08127	6.7
302.08130	2.5
304.06082	7.9
318.07611	9.3
319.08395	50.9
324.25946	0.4
334.10724	100.0
392.30316	0.4
408.12207	2.0
422.10370	3.6
436.11810	5.8
437.12567	5.2
452.14908	14.8
470.15958	0.5
614.20392	2.1
632.21265	72.5
635.08942	0.4
647.01459	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	632.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06567	0.5
74.10255	0.4
82.89195	0.4
84.08132	0.5
129.95090	0.4
160.07150	0.5
165.61201	0.5
170.22467	0.4
177.09879	0.9
202.92905	0.5
207.72498	0.4
235.02663	0.5
267.15033	0.5
269.92856	0.5
290.08057	7.0
302.08041	1.9
304.06076	8.8
318.07571	9.5
319.08408	49.9
334.10739	100.0
408.12405	0.6
422.10297	0.7
436.11713	1.0
437.12463	1.8
452.14880	4.2
548.44159	0.5
632.21234	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	632.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01669	0.7
55.42054	1.0
70.06583	2.3
84.08147	22.6
85.02885	1.4
85.08469	4.5
86.09702	1.5
95.08630	1.2
97.02879	1.0
109.02824	1.7
124.53629	1.0
124.68850	1.0
125.43197	0.9
127.03901	2.3
127.12327	1.5
142.27621	1.1
173.12967	1.0
181.60574	1.0
233.55519	1.0
267.17230	1.5
285.18390	1.4
290.08084	9.0
302.07413	4.5
304.05838	6.3
318.07553	11.6
319.04663	1.6
319.08380	54.8
334.10745	100.0
451.94382	1.0
452.14734	5.7
536.16626	1.3
632.20941	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	632.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	5.3
55.01874	0.8
55.05516	0.5
57.03431	0.9
57.07091	4.1
64.57864	0.4
65.64249	0.5
69.03425	4.6
71.04985	1.9
73.02911	2.8
81.03418	11.8
85.02905	15.5
87.00822	10.4
89.90923	0.4
97.02893	19.7
97.84703	0.4
99.04462	7.1
103.03950	1.9
105.01868	10.9
109.02879	36.1
127.03911	36.3
129.01852	1.0
140.19876	0.4
145.04977	8.1
147.02881	1.0
149.02339	100.0
150.95834	0.4
159.01700	0.7
159.02884	9.2
163.06056	1.8
165.16515	0.4
167.03360	4.3
185.53508	0.4
205.08591	0.8
213.03938	5.7
223.09641	23.8
231.04985	10.7
249.05994	3.9
253.07027	0.7
338.09277	0.5
357.07996	0.8
375.09189	2.4
393.10123	1.9
440.89612	0.6
621.66974	0.5
651.78265	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68373	1.0
51.67721	1.1
54.39553	0.9
55.05507	6.4
59.04978	1.8
61.02929	2.1
66.40448	1.1
69.03443	9.4
69.07072	100.0
70.06591	11.9
71.04985	1.7
72.08161	1.2
72.84375	1.1
73.06518	1.2
81.03425	5.9
84.08141	4.6
85.02907	52.8
86.09710	5.0
87.81458	1.0
95.08591	2.1
96.87901	1.2
97.02888	18.9
99.04457	18.5
103.03947	66.7
109.02863	11.1
111.11716	44.7
111.12434	2.2
127.03914	83.4
129.10231	5.4
129.12756	73.1
145.04965	36.1
147.04399	1.6
147.13805	13.5
163.06018	22.3
177.46748	1.3
187.06027	2.5
271.08109	2.8
289.09164	4.4
307.10211	40.8
352.10214	1.4
435.22162	11.4
453.23343	12.3
502.22739	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	632.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29564	0.2
67.50957	0.2
81.75895	0.2
110.46332	0.2
119.92521	0.2
125.34221	0.2
215.20724	0.3
220.47270	0.2
230.18057	0.3
292.09805	2.9
320.09174	100.0
321.09756	1.6
322.10791	2.7
336.12289	15.9
337.12616	3.1
338.13593	0.6
596.56128	0.2
632.31946	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	633.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59699	0.9
55.22213	0.8
79.95016	0.8
87.43790	0.9
109.10102	1.0
109.94505	1.0
117.37534	1.0
135.11696	1.1
137.74106	1.1
143.03613	0.9
147.98781	0.9
211.47771	1.1
300.81006	1.0
314.29431	1.1
415.20126	1.1
430.22131	1.3
431.18613	1.1
432.22238	1.8
433.23917	1.0
434.24857	3.5
444.23083	4.3
445.20230	1.3
446.22134	1.1
449.23285	1.7
456.18747	1.4
457.24170	12.8
458.25217	1.2
459.21179	9.5
460.22559	37.0
461.23358	9.1
470.21188	1.7
472.22751	6.4
474.23587	2.1
475.24844	4.3
485.23386	57.1
486.20096	15.0
487.25110	5.2
489.23120	5.8
492.25195	7.4
497.23383	2.2
499.21625	2.1
500.22241	7.5
501.23651	2.0
503.24619	7.0
505.22430	14.2
513.22815	5.0
515.24506	43.1
519.24054	5.7
531.23932	55.7
533.24847	1.3
541.22583	4.0
547.27264	1.3
559.23340	23.2
591.26056	91.4
633.28217	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.1
55.05519	7.5
55.17186	3.2
55.66325	3.1
57.95630	3.1
64.65851	3.2
67.05508	19.6
69.03439	8.1
69.07062	40.5
71.59422	3.1
79.05489	7.2
79.50841	3.4
81.03413	15.7
81.07065	83.3
83.08643	9.2
85.02907	68.3
85.06554	27.3
93.07025	26.2
95.08610	77.5
97.02879	26.5
97.10201	13.2
99.04447	34.2
99.08092	23.7
103.03946	83.9
107.08595	40.9
109.02895	14.6
109.10161	46.2
111.11700	4.7
113.09606	4.4
119.08587	4.2
121.10162	55.5
123.11697	17.4
127.03916	84.4
133.10062	4.4
135.11670	28.4
137.13251	15.1
139.11157	7.2
145.04976	31.5
147.11656	8.4
149.13269	33.1
159.11572	4.3
161.13168	4.8
163.05983	27.0
163.14813	17.9
177.16362	34.2
178.20741	4.2
195.17451	35.5
213.18504	100.0
291.26651	27.9
307.10269	18.3
309.27771	31.7
497.94290	4.1
519.27905	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	633.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.5
55.05516	2.2
57.03432	0.9
61.02956	1.4
67.05503	7.0
69.03430	13.7
69.07068	9.8
71.04990	4.1
73.02938	1.5
79.05503	4.1
81.03419	7.3
81.07061	48.3
83.08614	1.5
85.02908	69.9
85.06539	2.0
86.06063	1.9
87.04487	1.7
87.44117	1.0
91.05466	2.0
93.07046	11.0
95.08609	31.1
97.02890	23.8
98.06058	4.5
99.04459	22.0
103.03944	77.5
105.07041	4.5
107.08604	12.0
109.02892	13.6
109.10152	9.4
111.08083	1.4
111.11721	1.3
112.79525	1.0
116.07075	1.8
119.08575	4.3
121.10155	15.6
123.10917	1.1
123.11683	8.9
124.57431	1.1
127.03913	100.0
127.11219	1.9
131.08496	1.1
133.10127	1.9
135.08081	1.6
135.11719	5.4
137.13252	26.2
145.04962	42.6
145.10097	1.1
147.11681	2.5
149.13248	17.7
155.14285	5.8
161.13290	4.0
163.06006	31.9
163.14828	6.0
173.15395	5.7
187.06090	1.9
214.76544	1.1
271.08121	4.6
273.25534	1.3
289.09161	7.9
291.26761	13.6
299.18582	1.4
307.10236	36.3
307.13617	2.2
309.27829	6.4
327.28928	5.1
390.73102	1.1
407.41266	1.0
408.12384	1.1
461.23715	2.2
470.21078	1.1
471.85141	1.0
597.38129	5.4
615.40582	2.2
633.41937	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	633.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.5
55.05516	2.2
57.03432	0.9
61.02956	1.4
67.05503	7.0
69.03430	13.7
69.07068	9.8
71.04990	4.1
73.02938	1.5
79.05503	4.1
81.03419	7.3
81.07061	48.3
83.08614	1.5
85.02908	69.9
85.06539	2.0
86.06063	1.9
87.04487	1.7
87.44117	1.0
91.05466	2.0
93.07046	11.0
95.08609	31.1
97.02890	23.8
98.06058	4.5
99.04459	22.0
103.03944	77.5
105.07041	4.5
107.08604	12.0
109.02892	13.6
109.10152	9.4
111.08083	1.4
111.11721	1.3
112.79525	1.0
116.07075	1.8
119.08575	4.3
121.10155	15.6
123.10917	1.1
123.11683	8.9
124.57431	1.1
127.03913	100.0
127.11219	1.9
131.08496	1.1
133.10127	1.9
135.08081	1.6
135.11719	5.4
137.13252	26.2
145.04962	42.6
145.10097	1.1
147.11681	2.5
149.13248	17.7
155.14285	5.8
161.13290	4.0
163.06006	31.9
163.14828	6.0
173.15395	5.7
187.06090	1.9
214.76544	1.1
271.08121	4.6
273.25534	1.3
289.09161	7.9
291.26761	13.6
299.18582	1.4
307.10236	36.3
307.13617	2.2
309.27829	6.4
327.28928	5.1
390.73102	1.1
407.41266	1.0
408.12384	1.1
461.23715	2.2
470.21078	1.1
471.85141	1.0
597.38129	5.4
615.40582	2.2
633.41937	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	633.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	4.4
56.15018	1.7
57.07101	1.5
57.14914	1.6
59.05015	2.0
67.05502	26.9
69.07076	17.0
79.05492	9.7
81.07063	42.5
83.04985	4.0
83.08611	12.4
85.02882	4.3
85.06543	7.7
89.16208	1.6
91.05483	3.5
93.07037	18.5
95.04929	2.4
95.08604	34.7
97.06545	4.1
99.08083	18.4
103.44881	1.7
105.07034	12.4
105.63203	1.8
107.08588	28.4
109.06534	2.7
109.10159	100.0
111.08094	3.0
119.08569	32.8
121.10135	23.8
123.08082	10.3
123.11679	8.5
124.37661	1.8
125.09686	1.9
129.06969	2.3
131.08571	4.0
133.10164	24.0
135.08060	8.5
135.11658	16.4
137.09612	4.0
143.08595	3.3
145.10120	16.0
147.08040	2.1
147.11697	19.1
149.09633	14.9
149.13272	11.1
151.11180	3.4
157.10106	14.9
159.11710	18.0
161.09663	3.8
161.13258	12.0
163.11189	9.8
167.10681	3.3
167.14316	1.8
169.10185	4.2
171.11661	17.4
173.13257	14.9
175.14807	41.6
177.12709	3.4
177.16370	2.8
181.06807	1.9
183.11687	8.2
185.09622	2.9
185.13277	12.2
187.11124	3.3
187.14864	7.9
189.12733	4.4
197.13278	3.7
199.14838	7.4
201.12747	8.0
209.13283	3.1
211.14767	4.0
213.16379	4.3
215.14357	3.2
223.14790	4.4
225.16415	7.2
227.18057	2.7
229.15800	3.4
231.17482	3.0
237.16417	2.2
239.17949	3.0
241.15785	2.9
243.17442	17.4
255.17482	2.3
257.18915	4.0
259.16904	3.0
269.19046	8.9
285.18466	8.5
287.19931	8.4
297.22189	3.4
309.22186	12.7
325.21771	2.3
335.23849	3.1
351.26727	3.4
353.24805	3.0
361.25287	7.4
367.26385	2.4
375.26712	2.1
377.28137	2.4
379.26303	10.6
417.31500	34.2
435.32596	90.1
453.28024	3.0
453.33710	61.7
633.40411	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	633.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71431	2.0
51.81229	2.4
53.99525	2.2
55.05507	10.9
57.03454	7.9
57.07075	2.6
59.10436	2.1
61.02920	11.0
67.05508	24.6
69.03429	23.4
69.07076	26.6
70.06596	2.7
71.04990	3.4
71.08643	2.7
73.02901	2.5
79.05503	10.4
81.03416	5.8
81.06610	5.1
81.07057	88.7
83.08622	4.5
85.02907	68.1
87.04482	2.5
91.03934	4.4
91.05479	6.2
93.07041	24.2
95.04953	3.5
95.08599	54.9
97.02882	26.9
97.06564	2.7
97.10161	5.3
99.04469	4.8
99.08114	44.1
104.41948	2.5
105.07031	18.8
107.08595	36.7
109.02882	11.1
109.06499	5.1
109.10153	100.0
111.08106	5.1
113.09590	3.7
117.06960	2.9
119.08588	29.4
121.06513	4.1
121.10111	21.0
123.08077	6.3
123.11683	12.9
125.09606	4.6
127.03928	20.6
127.11204	4.2
129.07033	2.7
131.08566	16.9
133.10144	24.9
135.08044	4.9
135.11691	22.4
143.08533	15.8
145.04988	3.5
145.10149	22.2
147.08051	4.6
147.11691	15.0
149.13332	9.5
153.12820	3.1
155.08534	5.4
157.10155	19.3
159.11661	18.6
161.09610	5.0
161.13266	14.7
163.11211	4.0
163.14894	4.2
169.10066	18.8
171.11678	17.6
171.77292	2.9
173.09636	11.3
173.13264	16.4
175.11156	4.4
175.14832	14.3
177.09138	2.7
177.16367	3.0
181.10115	6.0
183.11746	18.6
185.09677	4.6
185.13304	12.4
187.11244	4.6
187.14835	16.0
195.11670	12.5
195.26614	2.7
197.13268	19.3
199.11230	3.9
199.14847	11.7
207.11757	4.9
209.13206	13.1
211.14850	5.8
213.12692	3.3
213.16235	5.1
215.14268	3.4
223.14865	5.8
225.16374	12.0
227.14294	6.1
227.17914	10.5
231.17476	3.8
235.14778	6.2
237.16351	11.3
239.17955	4.9
241.15776	3.5
241.19420	2.8
243.17479	3.9
247.16931	3.0
248.62772	2.6
251.17937	10.8
253.19310	4.6
257.19086	3.4
263.17911	4.2
265.19623	10.5
267.21234	3.4
269.18951	3.8
277.19452	3.3
279.21005	10.8
281.18933	3.0
283.20636	10.2
291.21051	11.6
295.20486	4.2
297.22095	3.6
305.22827	3.4
307.20770	3.2
309.22153	13.0
315.70615	3.2
317.22772	3.3
323.23712	13.4
325.21710	4.4
325.25244	3.0
335.70547	2.8
337.25208	4.0
351.26947	3.2
371.25867	2.8
389.32126	3.6
393.31644	3.7
405.31439	21.8
407.33374	4.4
417.31427	23.4
423.32272	12.7
425.34140	4.1
435.32532	62.0
453.27213	3.4
453.33578	98.4
464.73645	3.2
471.34753	30.7
533.31079	6.0
579.36743	3.9
585.37451	13.5
597.37964	5.5
615.38885	56.0
633.30463	3.5
633.40118	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	633.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	5.3
57.03420	2.4
57.07071	2.6
59.38769	1.9
61.02938	2.6
67.05510	19.8
69.03432	12.9
69.07067	25.2
71.04985	2.3
79.05496	9.3
81.03423	2.8
81.07068	39.9
83.08623	11.9
85.02901	28.9
91.05492	3.8
93.07066	18.4
95.08606	47.8
97.02898	9.6
97.06554	4.0
97.10242	2.4
99.04450	2.4
103.03953	3.7
105.07037	15.6
107.08611	45.0
109.02893	4.2
109.10162	90.6
111.08104	5.5
112.25399	2.2
117.06960	2.2
119.08598	28.9
121.10161	40.2
123.08099	3.8
123.11693	12.6
127.03927	11.8
131.08511	2.8
133.10083	16.1
135.11714	15.9
143.08501	4.0
145.04944	3.2
145.10109	17.1
147.11668	18.7
149.13269	17.2
157.10092	22.1
159.11723	19.0
161.13274	14.3
163.14809	2.4
169.10112	4.3
171.11681	17.4
173.13242	17.7
175.14882	4.6
183.11700	9.8
185.13316	8.7
187.14828	11.8
195.11659	10.9
197.13251	12.1
199.14893	9.3
201.16290	4.1
209.13275	4.8
211.14853	10.6
213.16402	12.6
223.14868	9.8
225.16431	14.6
227.14012	2.6
227.17873	8.7
229.15884	2.5
231.17381	4.1
237.16408	5.3
239.17923	10.8
241.19499	12.1
257.18790	3.4
263.17892	3.4
265.19440	3.6
267.21054	4.2
279.21204	4.1
291.20795	4.2
309.27997	3.4
313.11581	4.4
367.26224	2.5
389.32089	9.5
397.27200	2.9
399.30942	2.7
407.33072	16.0
417.31406	20.1
425.34436	2.7
435.32611	80.4
453.33679	100.0
471.34668	33.6
525.15417	2.4
579.35822	3.4
615.23956	5.4
615.39050	21.3
633.41077	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	633.3995
Annotation	Oleanoic acid 3-O-glucuronide
Peak:m/z	Relative Intensity
52.92656	1.2
55.05512	5.1
60.05899	1.3
61.14114	1.1
67.05521	13.2
69.03433	1.3
69.07074	10.6
79.05499	6.1
81.07068	24.6
83.04974	1.3
83.08612	2.8
85.02900	2.4
91.05493	2.7
93.07044	16.0
95.08606	27.8
97.06543	1.6
99.08092	8.0
105.07030	7.0
107.08606	20.2
109.10158	45.1
111.08098	1.7
117.07052	1.5
119.08575	25.9
120.43558	1.2
121.06445	1.8
121.10131	15.1
123.08107	2.4
123.11706	5.9
127.03988	2.1
131.08598	2.8
133.10130	14.2
135.08058	2.1
135.11693	8.6
135.13744	1.4
137.09642	1.5
137.13248	1.8
143.08556	2.4
145.10130	6.4
146.55779	1.5
147.11665	10.6
149.09627	2.1
149.13275	6.1
155.08456	1.3
157.10143	5.0
159.11658	9.3
161.09627	1.5
161.13261	6.4
165.12810	1.5
169.10123	2.5
171.11639	9.2
173.09615	2.6
173.13263	5.2
175.11098	2.3
175.14777	13.0
181.10126	2.8
183.11700	7.0
185.13324	4.8
187.11212	1.6
187.14935	1.5
189.12888	1.7
195.11670	2.3
197.13234	4.9
199.11070	2.1
199.14822	1.9
209.13251	2.7
211.11069	1.3
213.16411	2.2
215.14365	1.5
221.13210	2.4
223.14767	5.0
225.12453	1.2
225.16371	6.4
227.18002	2.1
237.16463	2.1
239.17932	2.7
241.15843	3.1
243.17393	2.4
246.35448	1.7
251.17955	2.1
257.19165	2.1
259.16791	5.2
261.16025	1.4
265.19461	1.7
267.17404	3.1
269.19083	2.6
285.18311	1.4
309.21979	1.9
327.23126	2.6
349.25510	2.1
355.26376	10.9
367.26395	1.7
397.27133	2.0
417.31403	5.5
430.65457	1.8
435.32596	44.6
453.33652	100.0
633.41455	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	633.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90902	2.2
51.57166	2.0
54.61109	2.1
55.05519	14.1
56.44411	2.4
63.88758	2.8
67.05522	28.4
69.03432	15.7
69.07069	18.6
71.04977	3.1
72.40064	2.4
73.02901	3.1
78.41011	2.5
79.05499	3.0
81.03410	3.8
81.07063	33.7
83.05002	3.9
83.08656	4.1
85.02917	31.3
91.05512	4.6
92.21024	6.9
92.21493	3.1
93.07047	15.4
95.04955	6.7
95.08603	54.8
97.02900	6.5
97.06543	44.7
99.04401	5.2
103.03966	11.3
105.07039	12.0
107.08608	20.8
109.06498	4.5
109.10157	100.0
110.89926	2.5
119.08588	18.1
121.10146	17.7
123.08102	4.7
123.11699	3.4
127.03911	23.9
131.08537	3.2
133.10156	11.9
135.08057	4.0
135.11720	6.1
137.09618	50.8
143.08598	4.4
145.04939	3.5
145.10080	13.1
147.11726	6.5
155.10713	4.5
157.10112	10.5
159.11633	12.7
161.13272	12.2
169.10107	5.6
171.11688	11.0
173.09790	3.4
173.13222	6.7
179.14326	12.7
183.11641	5.8
185.13261	4.9
187.14796	4.1
197.13248	7.1
225.16451	4.6
251.17911	4.5
255.20926	3.7
281.22366	2.9
285.07571	27.0
309.27908	20.7
409.30554	4.3
435.32648	25.0
453.33612	49.1
465.80496	4.0
471.34811	20.3
537.25958	3.8
615.39105	5.0
633.40137	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	634.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67392	1.2
54.92252	1.9
57.07080	20.6
59.51086	1.4
71.08631	38.5
72.15780	1.6
73.06573	2.6
78.92086	1.3
84.25250	1.4
85.10184	27.8
87.04479	16.0
89.06029	100.0
91.05488	3.7
92.35611	1.4
92.57705	1.4
93.07077	3.5
107.04951	2.4
107.08581	1.7
119.04927	2.5
119.08586	3.4
121.06515	24.3
131.07008	1.7
133.08609	30.8
135.08110	7.8
147.08070	9.9
149.09625	7.3
149.49812	1.6
163.11212	7.4
165.09105	3.4
177.11285	8.1
177.12766	1.7
183.55072	1.6
191.14351	2.0
199.25783	1.6
207.84544	1.6
247.20564	21.1
251.09090	1.5
291.23190	12.9
335.25671	10.5
349.03244	1.6
491.28525	7.6
573.40082	3.1
617.42621	66.6
634.45288	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	635.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	3.1
55.01848	0.3
61.02934	0.3
61.03393	0.2
67.30872	0.2
68.71331	0.3
68.99763	0.5
69.03441	4.7
69.57050	0.2
71.04993	1.2
71.73514	0.3
81.03428	8.5
85.02901	3.4
87.00829	5.0
97.02905	6.3
99.04472	3.1
105.01864	2.6
108.12071	0.3
109.02206	0.5
109.02887	12.7
119.33907	0.3
126.52578	0.3
127.02991	0.6
127.03914	15.9
129.01869	0.5
142.62047	0.3
145.04947	1.4
159.02893	1.8
159.41072	0.3
213.03960	0.6
231.05006	2.6
285.07632	1.3
301.07062	100.0
317.05051	1.6
401.17722	0.3
590.63336	0.4
635.12231	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	635.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.8
53.76604	0.5
55.01874	0.7
61.02943	1.2
61.56465	0.6
67.01878	0.7
67.05513	0.8
68.99805	1.6
69.03429	13.2
71.05002	3.5
77.13126	0.6
81.03422	21.7
81.07064	1.6
83.04980	5.1
85.02912	17.6
87.00821	6.2
95.08624	1.1
97.02888	17.4
97.03481	1.0
99.04458	17.4
105.01843	3.1
107.08582	1.5
109.02884	24.5
109.10157	5.8
111.04448	2.5
118.16722	0.7
119.08598	1.3
121.10113	0.8
127.03918	79.8
129.01822	3.9
129.05444	0.8
132.66214	0.7
145.04913	6.2
159.11722	1.2
167.03423	0.8
171.02873	1.0
171.06494	6.3
173.13113	0.9
185.04425	0.8
189.07578	3.2
213.03954	6.0
231.04982	12.5
243.35526	0.8
253.54344	0.7
285.07562	40.6
289.18011	0.8
299.04013	4.0
301.07062	100.0
317.04984	11.4
335.06104	1.2
437.29672	5.1
447.12296	1.2
455.35712	0.9
465.07031	0.7
634.87372	0.8
635.20300	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	635.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52559	0.2
69.03434	3.7
71.04993	0.4
83.04974	1.0
85.02898	0.4
86.18532	0.2
103.90572	0.2
111.04423	1.4
129.05472	1.1
152.67519	0.2
170.16702	0.3
242.05771	0.4
270.05234	1.7
285.07556	100.0
288.68927	0.3
377.46939	0.2
447.12854	9.5
635.19714	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	635.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.6
57.03447	0.5
67.05511	1.3
67.35743	0.3
70.60326	0.3
71.04992	0.4
72.97058	0.3
80.45258	0.4
81.07034	0.3
83.04988	12.9
85.02911	31.7
92.21213	1.6
95.08601	0.8
107.08627	0.5
108.28485	0.3
109.10156	1.9
111.04443	7.3
119.08607	0.6
127.03925	1.8
129.05486	4.7
141.99500	0.4
149.13275	0.3
150.41231	0.3
159.11646	0.6
171.06523	19.7
171.11694	0.3
189.07611	10.2
197.13228	0.3
270.05286	1.5
285.07574	100.0
310.05765	0.3
419.33118	2.9
437.34015	1.6
447.12836	9.0
455.35092	1.8
549.32056	0.4
617.18152	0.4
635.19580	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	635.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98471	0.2
70.06609	1.1
76.04891	0.3
79.05498	0.4
81.03409	0.4
84.08112	0.4
86.09695	0.5
87.30025	0.3
90.03401	0.3
91.05435	0.4
95.04967	0.6
95.91927	0.4
103.05450	1.3
105.07050	2.6
107.04900	0.4
115.05437	0.4
122.03632	1.7
128.73169	0.3
131.04919	1.8
133.06485	4.3
136.39934	0.3
137.05978	100.0
143.04929	3.0
143.05858	0.3
145.06470	0.4
146.04076	0.3
151.03893	3.7
153.05476	0.5
161.05981	7.1
163.07549	0.8
165.05470	0.5
167.07021	9.9
173.05972	4.1
175.07520	1.5
181.04941	19.6
187.07561	0.4
191.07057	3.7
203.07030	1.8
205.08580	3.4
221.08221	0.6
225.07616	1.5
233.08080	2.0
235.09535	3.2
238.13086	0.4
318.47244	0.4
357.13284	5.7
369.13373	0.7
387.14365	60.7
435.13278	0.4
452.75696	0.4
636.47253	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	635.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83886	0.8
63.84807	0.8
65.94556	0.7
69.03425	1.6
70.06601	1.2
72.08159	1.1
72.95757	0.8
77.84572	0.8
81.03449	1.4
85.02898	1.3
97.02880	1.5
99.04476	1.6
103.05464	9.9
105.06995	2.0
107.04948	1.7
109.02866	5.0
118.04173	3.6
127.03892	6.0
131.04932	25.9
133.06458	1.5
135.08037	1.3
137.05980	26.7
140.07034	0.9
148.05170	8.3
151.03886	17.1
161.05940	1.4
161.13063	1.0
163.03938	0.9
163.07510	23.7
165.05458	5.4
167.07048	6.9
173.05983	4.9
176.04665	3.4
177.05513	2.0
181.04982	5.6
191.07016	100.0
191.61278	0.9
195.06551	1.7
206.19157	0.9
209.15552	0.8
339.89258	0.8
351.12198	1.5
369.13507	6.8
387.14340	22.2
393.10062	1.4
635.19244	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	635.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63774	1.4
50.92004	1.3
53.83508	1.3
55.05521	2.3
60.38766	1.4
63.28009	1.7
67.05505	3.4
69.03422	3.1
69.07061	7.6
71.04964	2.0
79.05505	1.8
80.49834	1.7
80.51724	1.5
81.03398	6.7
81.07052	8.4
83.04969	8.2
83.08618	2.7
85.02898	19.9
87.00816	2.2
93.07040	6.4
95.08611	14.5
97.02879	11.2
97.06522	10.2
99.04452	6.0
105.07049	2.8
105.20947	2.0
107.08589	8.9
109.02861	9.3
109.06512	1.9
109.10165	32.2
111.04398	3.4
112.75146	1.6
117.07021	1.9
119.08557	9.8
121.10149	11.8
123.08077	2.3
123.11688	6.9
125.09626	1.8
127.03927	20.8
127.11259	1.6
131.08542	6.8
133.06461	2.6
133.10114	7.3
135.11736	2.5
143.08540	2.9
145.10143	2.2
147.08179	2.2
147.11682	8.6
149.13231	2.7
157.06471	11.1
157.10080	6.0
159.08104	2.4
159.11694	6.2
161.09648	2.6
161.13275	2.5
169.10152	2.5
171.06512	8.1
171.07977	2.6
171.11670	6.1
173.13205	6.1
181.10066	1.9
185.09622	7.1
185.13191	2.6
187.11185	2.7
189.07492	2.6
197.13254	2.2
199.11200	3.6
199.14832	7.3
211.14807	2.5
213.12807	2.4
213.16383	2.1
223.14842	1.6
225.16531	1.9
227.14284	6.9
231.04941	2.4
241.15805	16.1
250.27060	1.7
255.13824	2.2
259.16852	3.5
271.16907	8.0
285.07562	44.9
289.17926	21.7
301.07071	28.0
337.21918	2.0
355.22424	2.2
395.29428	2.7
419.33640	2.4
437.30347	100.0
447.13055	7.0
455.30920	21.7
473.32446	23.6
635.39563	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	635.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33055	1.1
50.45168	1.2
51.13173	1.1
53.03951	1.3
53.62120	1.2
55.05520	8.9
57.07079	6.0
61.02934	2.0
66.09713	1.3
67.05511	12.8
69.03426	9.9
69.07070	24.1
69.65017	1.4
71.04987	2.5
73.02893	1.7
74.04268	1.3
79.05508	1.6
81.03426	7.7
81.06609	2.4
81.07066	42.2
83.08623	19.7
85.02908	52.0
85.06546	5.9
93.07038	3.5
95.08611	61.5
97.02885	23.2
97.10165	10.2
99.04461	26.3
103.03951	79.7
103.83846	1.6
107.08599	7.7
109.02874	13.0
109.10160	31.5
111.11703	8.2
121.10139	8.4
123.11713	22.1
125.13240	2.9
127.03922	100.0
135.11662	3.3
137.13297	11.4
143.14276	1.7
145.04965	33.6
149.13274	12.5
151.14807	11.2
153.73781	1.7
163.06020	27.0
163.14798	6.9
165.16360	5.8
167.03036	1.7
177.16507	2.3
179.17961	2.6
211.63281	1.7
249.25844	2.1
267.26770	2.2
271.08405	4.7
275.27246	8.0
285.07556	3.5
289.09232	2.9
293.28317	22.4
301.07181	2.2
307.10272	16.6
311.29346	17.5
329.30573	9.0
419.33026	1.9
419.61227	1.8
437.33749	2.7
481.62988	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	635.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26205	1.6
53.00312	1.6
53.03949	2.0
55.05525	3.0
55.71598	1.6
57.03460	1.6
67.05505	14.9
69.03425	9.9
69.07062	8.9
71.05003	2.2
74.73038	1.6
79.05476	2.6
81.03412	2.7
81.07063	19.8
83.04984	16.0
83.08626	2.7
85.02905	39.4
91.05424	2.6
93.07025	13.1
95.08603	43.4
97.02882	8.2
99.04427	3.2
105.07068	15.8
107.08579	30.9
109.02869	8.4
109.10153	80.3
111.04424	7.3
111.08095	2.0
118.30202	2.1
119.08566	34.1
121.10117	20.8
123.11691	9.2
125.09636	4.3
125.79397	2.0
127.03926	13.9
129.05460	3.4
131.08543	9.3
133.10138	23.0
135.11717	8.0
137.13263	2.8
143.08580	3.3
145.10144	21.9
147.11646	27.7
149.13261	12.8
157.10110	15.2
159.11682	21.3
161.13235	16.9
163.14813	9.3
165.12733	2.2
169.10056	8.8
171.06505	24.7
171.11688	16.8
173.13220	17.1
175.14827	7.4
179.14290	2.6
183.11768	10.6
185.13351	15.6
187.13272	2.0
187.14726	14.7
189.07602	7.0
189.16397	4.5
195.11691	2.9
197.13260	7.1
199.14818	10.8
201.16325	8.4
203.14215	2.3
203.17958	2.9
209.13336	2.7
211.14845	7.7
213.16394	12.2
215.17847	2.6
223.14792	3.7
225.16251	4.5
227.17911	3.9
235.14824	2.4
237.16347	2.4
239.17932	9.8
241.19406	7.1
251.17908	2.5
253.19531	7.9
257.19223	2.8
260.89639	2.0
265.19473	7.4
267.21048	3.1
269.18939	1.9
270.05176	1.9
283.20392	2.4
284.75754	2.5
285.07547	100.0
293.22644	3.1
301.06989	14.4
305.22125	2.0
309.22174	3.9
311.23471	2.9
319.24213	2.9
337.25266	3.7
345.25500	2.0
363.26843	2.1
368.43286	1.9
401.32190	17.4
419.33066	78.7
420.33420	2.6
437.34134	75.1
438.34183	3.4
447.12701	7.6
455.35229	54.4
473.36111	7.0
581.38885	3.1
599.39233	3.9
635.20111	4.5
635.41766	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	635.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	5.8
57.07086	1.9
59.05019	1.2
59.19665	1.5
60.28929	1.2
61.02932	1.5
62.24594	1.6
67.05507	18.0
69.03436	11.3
69.07070	22.0
76.35973	1.6
79.03161	1.8
79.05505	6.5
81.03416	2.4
81.07064	20.4
83.08629	3.0
84.93440	1.7
85.02911	21.0
92.21531	2.1
93.07048	16.6
95.08592	24.5
97.02888	8.1
97.06506	2.7
97.10144	2.0
99.04498	2.3
105.06998	12.7
107.08602	28.8
109.02850	2.7
109.06543	2.5
109.10160	72.8
109.10902	3.0
111.08047	1.7
119.08559	18.7
121.10146	26.4
123.11698	10.5
125.09706	1.8
127.03956	6.6
128.04739	1.6
130.38483	1.5
131.08565	3.2
133.10132	23.1
135.11731	11.7
143.08521	2.9
145.10110	14.4
147.11647	15.4
149.13268	9.2
157.10141	16.3
159.11670	17.1
161.09641	2.2
161.13222	9.2
163.14786	2.0
169.10077	6.2
171.11606	14.8
173.13271	15.9
175.11234	1.9
175.14746	11.1
178.51724	1.5
183.11697	14.5
185.13217	14.0
187.14822	7.3
189.16345	2.4
195.11664	3.1
197.13321	12.0
199.14815	15.0
201.16377	8.2
203.17928	1.5
207.11690	1.7
209.13301	6.5
211.14746	10.9
213.16415	9.2
215.17891	7.3
222.14027	1.9
223.14769	7.8
225.16364	13.8
227.17891	10.8
235.14957	2.8
237.16287	7.0
239.17888	12.1
241.19502	3.0
243.17378	2.4
245.19040	2.5
249.16309	2.0
251.17896	9.2
253.19408	8.0
255.21101	2.8
261.18509	3.4
263.17877	3.0
265.19470	8.0
267.21002	8.7
271.20514	3.8
277.19504	2.9
281.22699	3.4
283.20465	3.1
285.22311	2.7
289.21887	2.4
291.21182	2.5
293.10715	1.7
293.22507	6.4
295.20471	1.7
301.21835	2.2
305.22745	1.9
309.22141	2.0
310.22852	3.1
311.23764	2.9
333.25583	2.6
351.26932	2.5
369.13281	2.0
401.32147	11.1
417.92337	1.9
419.33017	42.5
437.34146	90.3
439.35547	7.6
455.35205	100.0
473.36218	25.6
599.39026	11.9
617.40375	30.6
633.28320	1.8
635.41516	29.3
646.08142	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	635.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72914	4.0
55.05513	5.5
57.07095	3.4
67.05512	7.0
69.07079	8.7
79.05479	6.4
81.07050	26.4
85.02920	7.5
86.98621	3.3
91.05467	4.9
92.20992	4.5
92.21472	4.5
93.07040	19.2
95.08615	50.5
97.06540	6.9
97.10197	4.1
99.08071	4.9
105.07043	22.2
107.08593	48.5
109.10146	51.0
111.08056	16.0
119.08561	39.2
121.10112	36.3
123.11691	7.1
127.03960	4.6
131.08591	5.6
133.10158	25.4
135.11668	26.6
137.09622	4.5
139.77654	3.7
145.10155	20.7
147.11676	26.4
148.06445	3.6
149.13321	8.9
150.74733	3.6
151.11256	4.2
157.10123	8.4
159.11716	28.4
161.13231	25.5
171.11679	18.4
173.09703	3.7
173.13266	16.9
175.11215	5.3
175.14839	53.3
177.16422	5.6
183.11656	15.1
185.13293	21.2
187.14842	26.8
197.13280	7.4
199.14778	13.4
201.16454	6.6
209.13159	4.7
211.14760	8.7
213.16397	6.4
227.17957	8.8
229.19498	5.1
239.17931	8.1
241.19344	5.4
243.17482	4.1
253.19606	5.5
257.19022	6.2
267.05820	3.8
269.18970	3.8
283.20496	4.3
285.07498	7.1
293.22565	19.3
299.23642	4.2
311.23553	30.3
351.26907	8.6
357.27853	4.1
369.27853	23.9
387.28958	100.0
401.31812	6.6
419.32983	46.3
437.34171	91.1
455.35266	37.5
473.36032	27.0
511.43802	4.2
635.28809	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	635.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26205	1.6
53.00312	1.6
53.03949	2.0
55.05525	3.0
55.71598	1.6
57.03460	1.6
67.05505	14.9
69.03425	9.9
69.07062	8.9
71.05003	2.2
74.73038	1.6
79.05476	2.6
81.03412	2.7
81.07063	19.8
83.04984	16.0
83.08626	2.7
85.02905	39.4
91.05424	2.6
93.07025	13.1
95.08603	43.4
97.02882	8.2
99.04427	3.2
105.07068	15.8
107.08579	30.9
109.02869	8.4
109.10153	80.3
111.04424	7.3
111.08095	2.0
118.30202	2.1
119.08566	34.1
121.10117	20.8
123.11691	9.2
125.09636	4.3
125.79397	2.0
127.03926	13.9
129.05460	3.4
131.08543	9.3
133.10138	23.0
135.11717	8.0
137.13263	2.8
143.08580	3.3
145.10144	21.9
147.11646	27.7
149.13261	12.8
157.10110	15.2
159.11682	21.3
161.13235	16.9
163.14813	9.3
165.12733	2.2
169.10056	8.8
171.06505	24.7
171.11688	16.8
173.13220	17.1
175.14827	7.4
179.14290	2.6
183.11768	10.6
185.13351	15.6
187.13272	2.0
187.14726	14.7
189.07602	7.0
189.16397	4.5
195.11691	2.9
197.13260	7.1
199.14818	10.8
201.16325	8.4
203.14215	2.3
203.17958	2.9
209.13336	2.7
211.14845	7.7
213.16394	12.2
215.17847	2.6
223.14792	3.7
225.16251	4.5
227.17911	3.9
235.14824	2.4
237.16347	2.4
239.17932	9.8
241.19406	7.1
251.17908	2.5
253.19531	7.9
257.19223	2.8
260.89639	2.0
265.19473	7.4
267.21048	3.1
269.18939	1.9
270.05176	1.9
283.20392	2.4
284.75754	2.5
285.07547	100.0
293.22644	3.1
301.06989	14.4
305.22125	2.0
309.22174	3.9
311.23471	2.9
319.24213	2.9
337.25266	3.7
345.25500	2.0
363.26843	2.1
368.43286	1.9
401.32190	17.4
419.33066	78.7
420.33420	2.6
437.34134	75.1
438.34183	3.4
447.12701	7.6
455.35229	54.4
473.36111	7.0
581.38885	3.1
599.39233	3.9
635.20111	4.5
635.41766	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	635.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31094	0.5
53.00307	0.7
53.04258	0.5
54.16145	0.6
55.05511	1.0
57.07076	0.6
67.05505	1.0
69.03430	4.4
69.07066	1.3
71.05016	5.3
71.05351	0.6
81.03424	1.4
81.07063	5.0
83.04965	0.7
83.08601	1.2
85.02912	4.1
93.07043	2.6
95.08618	5.9
97.02879	3.4
99.08029	0.9
105.07021	2.7
107.08595	6.3
109.02895	1.6
109.10166	12.4
119.08567	6.1
121.06525	1.1
121.10150	5.7
123.08045	1.0
123.11693	8.0
125.09603	0.8
127.03896	3.1
127.11188	11.5
131.08524	1.3
133.06471	1.2
133.10136	4.4
135.08043	0.9
135.10762	0.7
135.11632	5.2
137.13269	1.5
141.12782	2.5
145.10110	2.9
147.11703	5.6
149.13258	3.5
157.10193	1.4
159.11673	4.6
161.13245	5.7
163.14841	0.8
169.10152	1.2
171.11655	3.2
173.13240	3.7
175.14745	0.8
183.11659	3.1
185.13248	1.3
187.14912	2.6
189.12737	1.2
197.13211	2.4
199.14731	0.7
201.12790	2.7
203.14281	1.1
215.14342	3.0
215.17928	1.2
225.16385	1.1
227.17888	0.7
237.16394	0.7
243.17438	1.0
285.07568	100.0
293.45538	0.7
301.07068	10.8
315.23007	0.8
354.57162	0.7
419.32895	5.7
437.34137	19.0
447.12894	6.9
455.35190	17.6
473.36288	9.3
617.40289	0.9
635.19519	7.5
635.42719	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	635.4148
Annotation	Soyasapogenol B 3-O-D-glucuronide
Peak:m/z	Relative Intensity
67.28292	8.2
69.95171	7.9
81.07067	43.9
83.53840	9.2
85.02920	16.5
93.07033	21.7
93.15870	9.6
95.01328	15.9
95.08595	77.8
105.07006	17.0
107.08588	41.5
109.10171	78.4
109.60520	9.3
118.09669	9.9
119.08564	21.3
119.86990	8.8
121.10159	45.4
123.11688	46.3
133.10104	49.3
134.32303	9.9
135.11697	42.5
141.01854	87.6
141.12657	9.2
145.10136	15.6
147.11697	41.7
149.13228	16.9
159.11772	17.9
161.13251	22.9
163.14798	17.4
175.14894	19.5
177.16318	11.7
189.16466	16.5
201.16362	19.6
203.17981	22.4
213.64290	11.0
215.17908	17.0
217.19550	21.1
219.17497	13.8
227.18098	11.7
229.19571	19.6
237.77725	10.7
246.27803	13.5
280.29532	9.9
423.36130	100.0
429.09235	11.3
437.34225	23.2
441.37091	94.0
455.35309	14.9
566.47815	10.1
599.38635	15.7
614.40509	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	635.4153
Annotation	Soyasapogenol B 3-O-D-glucuronide
Peak:m/z	Relative Intensity
50.30518	4.2
50.64218	4.8
52.85426	3.9
55.05514	4.8
57.07083	4.7
63.99058	4.2
67.05515	10.7
69.03420	28.8
69.07074	6.8
71.04997	31.7
72.72813	4.7
77.81290	4.4
81.07054	31.1
85.02916	85.0
85.06537	9.4
93.07035	23.6
95.08620	55.0
96.20090	4.3
97.02897	83.2
97.10138	9.2
100.53652	5.0
105.07040	32.6
107.08600	55.5
109.10159	77.3
115.03929	62.2
119.08579	22.0
121.10137	32.3
123.11709	90.4
125.09614	70.1
127.11225	11.8
131.08598	10.2
133.10136	29.1
135.11690	19.9
137.13271	6.0
141.12724	100.0
143.08574	8.8
143.10681	95.3
145.10150	26.7
147.11694	29.4
149.13261	7.2
157.04974	60.8
157.10107	9.0
159.11708	37.3
161.13216	26.4
169.10115	9.4
171.11664	29.9
173.13271	18.5
173.64978	4.3
175.14799	10.5
181.10037	5.4
183.11687	22.6
185.13251	45.7
187.14851	10.3
194.96355	4.9
195.11684	6.2
197.13159	9.7
199.14865	9.5
201.16376	7.4
209.13286	6.9
210.93858	5.2
211.14700	6.6
213.16374	9.1
215.17943	10.3
217.07079	26.1
217.19435	18.0
223.14790	8.2
225.16357	8.5
237.16374	10.8
241.15781	5.5
251.17982	6.8
271.67535	5.7
279.21140	19.4
297.22101	56.5
299.15027	5.2
310.56070	5.1
315.23260	19.9
347.30365	6.1
401.31799	39.9
419.32996	27.5
437.34271	65.1
455.35205	73.1
548.36969	5.2
550.41278	4.9
635.39581	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	635.4153
Annotation	Soyasapogenol B 3-O-D-glucuronide
Peak:m/z	Relative Intensity
55.05512	5.4
56.32845	4.8
64.61360	5.3
67.05506	12.0
69.03434	5.8
69.07080	7.5
69.51186	4.9
71.04996	42.9
71.05319	5.0
81.07055	31.6
83.08627	9.5
83.44306	6.2
83.72536	6.2
85.02901	9.4
85.06524	10.9
86.98756	5.4
93.07021	10.3
95.08640	48.0
105.07008	11.8
107.08609	69.3
109.10146	58.2
119.08579	29.4
121.10083	37.6
123.11707	65.9
125.09636	68.1
127.11178	21.7
133.10117	24.6
135.11722	24.9
136.22998	5.2
141.01828	43.5
141.12753	90.1
143.10687	100.0
145.10124	12.2
147.11682	38.2
149.13228	8.6
151.11134	7.7
159.11649	7.9
161.13245	13.2
162.21538	6.3
163.14780	10.8
171.11731	10.3
173.13223	22.3
175.14824	8.3
177.16461	7.2
185.13223	25.1
187.14774	9.5
189.16438	6.3
201.16289	8.0
203.17970	13.0
211.05618	5.4
215.17955	8.8
227.17802	6.9
229.19511	10.4
237.16362	6.2
243.17412	7.3
279.21173	23.7
297.22153	58.9
319.85367	6.3
419.32999	20.6
420.38211	7.2
423.36102	33.9
437.33966	41.5
441.37057	29.8
455.35156	52.5
473.35626	9.4
599.38971	12.5
617.39984	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	635.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21384	6.7
50.84847	6.0
58.39089	6.5
62.49889	7.3
67.05513	8.3
71.04984	35.5
81.07069	9.4
83.08648	8.9
84.39344	8.2
85.06539	14.0
90.56937	6.4
95.08617	40.3
97.10143	10.5
107.08590	49.2
109.10159	18.6
119.08599	7.7
121.10168	14.7
123.11691	48.3
125.09659	71.1
127.11170	13.7
131.08612	9.2
135.07625	8.2
141.12711	79.2
143.10657	100.0
147.11673	17.6
159.11696	9.7
161.13194	12.4
181.96822	8.0
185.13297	10.3
279.21048	9.9
297.22028	38.0
419.33109	13.4
437.34155	55.5
455.35086	52.5
473.36328	29.9
501.28287	8.8
516.28534	8.1
635.42120	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	635.415
Annotation	Soyasapogenol B 3-O-D-glucuronide
Peak:m/z	Relative Intensity
50.70081	2.1
55.05518	5.8
67.05508	26.8
69.07065	16.4
69.25938	2.0
71.46108	2.1
79.05489	9.5
81.07058	38.3
83.08614	15.0
84.96844	2.1
85.02903	5.2
85.06543	4.0
91.05484	4.1
93.07043	25.4
95.08606	48.9
97.02872	2.2
99.08095	15.1
105.07013	20.8
107.08593	34.1
109.06495	3.8
109.10154	100.0
110.44435	2.2
111.08083	4.4
119.08578	40.5
121.06429	3.0
121.10149	38.1
123.08012	3.3
123.11682	5.8
127.03929	4.5
131.08522	12.3
133.10110	25.7
135.08037	3.9
135.11662	16.7
143.08498	5.2
145.10114	22.0
147.11708	25.1
149.09631	4.4
149.13248	10.9
157.10168	17.4
159.11725	27.7
161.13235	16.3
166.07942	3.1
169.10117	5.4
171.11667	17.0
173.13234	19.5
175.14816	42.2
177.16367	3.1
183.11722	13.6
185.13263	14.6
187.14850	16.0
189.16278	3.9
197.13199	4.7
199.14848	14.4
201.16330	5.2
203.14297	2.4
209.13275	5.0
211.14880	8.8
213.16365	11.1
215.17917	3.6
223.14883	3.6
225.16437	5.0
227.17892	19.7
229.19424	2.9
238.17154	2.7
239.17896	12.9
241.15898	3.7
241.19411	4.0
245.19014	10.7
251.17912	3.6
253.19444	5.8
261.22137	3.9
269.18881	5.5
271.20615	13.1
281.22672	5.3
287.20142	3.2
299.23630	3.2
311.23755	5.1
353.28284	3.3
355.26282	3.1
363.26788	9.5
381.27835	3.9
401.31967	4.9
419.33038	45.6
428.89249	2.3
437.34143	91.7
447.51968	2.8
455.30096	3.6
455.35291	62.3
494.74557	2.5
546.13989	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	635.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	3.6
56.21397	1.4
56.39143	1.4
56.45346	1.4
57.07092	2.1
65.54267	1.4
67.05483	3.8
69.03426	8.6
69.07066	3.7
71.04997	24.6
73.06547	2.2
79.05492	2.7
81.07068	9.4
83.08607	4.2
85.02907	9.2
85.06551	12.0
93.07043	3.3
95.08620	17.0
97.02918	3.2
97.10170	13.8
105.07021	7.0
107.08594	42.9
109.10154	28.0
117.07031	2.5
119.08577	8.8
120.69697	1.8
121.10168	10.5
123.11694	22.3
125.09628	56.4
127.11183	12.7
131.08586	2.5
133.10155	8.5
135.11708	8.5
139.11168	1.6
141.12753	11.3
143.08519	2.8
143.10675	100.0
143.55385	1.8
145.10115	8.7
147.11682	13.6
149.13248	2.4
157.10078	6.7
159.11681	9.6
161.13223	7.4
171.11656	4.5
173.13278	10.6
175.14758	3.6
183.11555	3.0
184.92105	2.3
185.13226	14.5
187.14828	9.6
199.14841	2.9
201.16396	3.4
211.14801	4.2
213.16422	3.8
223.14987	3.2
227.17798	2.3
239.17932	2.4
251.17975	2.4
253.19562	3.8
279.21014	2.2
297.22156	3.9
311.23764	2.4
369.50812	2.0
419.33151	21.2
437.34134	40.0
455.35165	26.9
473.36130	8.0
617.39941	11.0
635.40717	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	635.4149
Annotation	Soyasapogenol B 3-O-D-glucuronide
Peak:m/z	Relative Intensity
59.99721	7.1
60.42139	6.3
69.03409	7.7
71.04989	36.5
81.07053	19.2
83.08660	8.4
85.02884	8.1
85.06531	8.7
95.08582	33.5
97.10151	15.7
107.08585	31.7
109.10150	40.0
117.67385	9.6
123.11710	41.5
125.09636	52.6
127.11147	10.6
135.11679	8.6
141.12730	53.6
143.10658	100.0
147.11661	17.9
159.11713	15.0
172.32845	7.8
175.14713	10.5
183.11697	9.2
185.13309	12.2
187.14850	9.0
242.05664	7.9
279.21021	12.2
293.69308	8.6
297.22125	15.2
315.23068	9.4
437.34384	71.2
440.01981	9.3
455.35236	45.5
469.18277	10.9
473.36038	10.2
478.29971	9.8
641.29156	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	635.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.99721	7.1
60.42139	6.3
69.03409	7.7
71.04989	36.5
81.07053	19.2
83.08660	8.4
85.02884	8.1
85.06531	8.7
95.08582	33.5
97.10151	15.7
107.08585	31.7
109.10150	40.0
117.67385	9.6
123.11710	41.5
125.09636	52.6
127.11147	10.6
135.11679	8.6
141.12730	53.6
143.10658	100.0
147.11661	17.9
159.11713	15.0
172.32845	7.8
175.14713	10.5
183.11697	9.2
185.13309	12.2
187.14850	9.0
242.05664	7.9
279.21021	12.2
293.69308	8.6
297.22125	15.2
315.23068	9.4
437.34384	71.2
440.01981	9.3
455.35236	45.5
469.18277	10.9
473.36038	10.2
478.29971	9.8
641.29156	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	635.415
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44764	2.2
55.05525	3.9
56.45338	1.6
57.07080	3.9
67.05518	16.2
69.07079	16.0
76.28519	2.1
76.62264	2.1
79.05511	3.0
81.07079	20.0
83.08613	5.2
85.02909	4.7
91.05519	2.9
93.07040	16.5
95.08612	34.5
105.07042	9.5
107.08598	24.3
109.06519	4.5
109.10167	61.1
111.08133	2.5
111.11710	3.2
119.08598	19.4
121.10152	19.4
123.11714	13.2
127.03896	3.1
131.08556	9.4
133.10144	21.6
135.11719	16.8
143.08554	5.4
145.10162	19.9
147.11681	18.1
149.13266	10.3
157.10150	14.1
159.11713	20.6
161.13234	15.2
163.14861	4.9
169.10078	3.0
171.11688	13.5
173.13203	16.9
175.14841	9.0
177.16412	4.5
183.11726	4.8
185.13240	10.5
187.14822	11.3
189.16350	3.3
193.10194	2.7
195.11722	5.4
197.13289	10.3
199.14838	13.7
209.13283	9.6
211.14844	12.0
213.16443	3.2
215.17804	7.6
219.51253	2.6
221.13213	3.2
223.14836	5.4
225.16306	2.8
227.17854	5.0
237.16373	4.1
239.17993	9.4
241.19493	4.9
251.17923	4.4
253.19560	5.0
255.17462	2.5
265.19467	5.4
267.21072	3.4
279.21136	5.2
297.22034	3.8
329.24850	2.8
335.23346	2.5
381.27734	3.2
391.33600	3.2
401.31793	11.1
407.32809	7.7
409.34592	13.2
419.33096	33.7
425.33929	4.4
437.34174	100.0
455.35178	77.5
468.98401	2.7
635.41980	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	635.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.7
53.75511	1.5
55.05514	3.9
57.03427	1.8
57.07075	2.3
61.02928	2.1
61.87887	1.8
64.59825	1.7
65.95516	1.7
67.05511	21.8
69.03426	15.4
69.07084	16.5
71.05002	17.1
79.05489	8.4
81.03413	7.3
81.07062	36.4
83.04984	2.9
83.08626	7.4
85.02912	33.5
85.06510	1.8
91.05467	3.4
93.07052	19.7
95.04987	2.6
95.08612	39.0
97.02880	15.3
97.10188	3.0
99.04429	3.5
99.08078	4.5
102.47322	2.0
105.07033	13.8
107.08596	36.2
109.02892	4.2
109.06537	7.5
109.10163	100.0
117.07021	2.7
119.08579	36.6
121.10141	43.3
123.08037	2.1
123.11709	73.9
125.09627	8.0
127.03908	12.1
127.11211	43.9
129.07005	2.1
131.08565	10.4
133.06483	2.9
133.10130	32.5
135.08047	10.6
135.11702	24.0
137.13278	3.5
141.12766	3.1
143.08563	12.7
145.04988	2.7
145.10135	27.5
147.08098	2.3
147.11682	40.2
149.09595	35.9
149.13286	12.2
151.11186	7.3
157.10092	17.7
159.11697	29.3
161.09607	3.4
161.13263	24.4
163.11179	3.1
163.14824	6.5
169.10072	6.9
171.11674	25.1
173.13284	26.3
175.11124	3.4
175.14832	8.6
183.11627	12.7
185.13217	30.2
187.14868	15.3
189.12750	3.5
189.16422	8.3
197.13261	12.2
199.14868	18.6
201.12688	6.6
201.16406	19.5
203.14330	4.2
209.13278	3.9
211.14828	9.0
213.16483	8.9
215.14375	2.8
215.17953	12.5
217.15872	9.6
223.14781	3.5
225.16388	3.4
227.18054	4.5
229.15996	2.0
233.18980	8.5
237.16338	3.7
239.17870	2.0
251.17979	3.7
253.19487	21.1
263.17697	2.0
271.20609	13.6
284.84167	2.1
287.23691	8.9
305.24789	2.3
315.23001	2.3
385.70673	2.4
401.32022	3.7
419.33060	35.5
437.34164	78.6
455.35184	90.1
473.36371	68.6
506.44843	1.9
617.40277	18.7
635.32031	2.8
635.41614	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	636.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.4
54.83298	0.2
55.01868	1.1
59.12517	0.2
69.03436	2.4
70.06570	0.4
72.08170	0.4
73.02924	0.4
79.77085	0.3
81.03416	2.8
82.30890	0.2
85.02909	7.1
86.09731	0.3
87.00819	2.6
89.03904	0.6
97.02896	3.1
97.55742	0.3
99.04448	1.8
105.01868	2.9
109.02869	3.6
117.03378	3.3
127.03915	5.3
129.01881	0.3
145.02856	24.5
145.04822	0.8
147.04338	0.4
149.05998	1.5
158.38393	0.3
159.02861	2.3
162.03194	0.6
162.06247	0.3
177.05466	100.0
195.06549	0.5
203.05261	1.1
221.50652	0.3
227.83377	0.3
231.05035	0.4
249.05698	0.4
250.14914	0.4
289.93268	0.3
303.08478	0.9
311.14639	0.6
312.14877	0.5
321.09637	1.2
339.10675	3.3
356.36334	0.3
398.03867	0.3
412.20218	0.7
416.34491	0.3
425.10916	3.4
473.19321	0.3
474.19769	1.3
498.47040	0.3
587.16083	2.9
627.99512	0.3
636.25684	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	636.286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	9.8
55.05515	5.8
63.69722	1.1
67.05510	1.7
69.03434	16.1
70.06592	1.7
70.89812	1.0
71.05003	2.7
72.79411	1.0
73.02920	5.0
78.38738	1.2
81.03426	35.2
81.07059	9.0
83.04993	4.9
83.08615	4.6
84.89035	1.3
85.02904	46.9
85.06563	1.3
86.09699	2.8
87.00830	20.3
87.04476	1.4
91.05443	1.2
93.07024	5.3
95.04956	2.7
95.08607	7.3
97.02893	34.1
97.06542	6.3
99.04452	20.9
103.03933	12.6
105.01874	19.3
105.07040	6.1
107.08611	9.3
109.02880	74.0
109.06535	9.0
109.10168	19.7
119.02747	1.9
119.08600	8.3
120.08093	2.9
121.10128	9.1
123.08100	1.9
123.11723	7.3
125.09637	1.8
127.03913	100.0
129.01819	8.3
131.08554	1.7
133.10143	21.5
135.08069	1.7
137.05972	2.9
145.04950	14.7
145.10126	3.0
147.02904	4.7
147.11696	3.0
149.09714	1.7
149.13271	8.4
151.11176	10.6
153.09091	2.0
159.02901	14.2
163.06006	2.6
165.12764	2.4
167.14322	8.3
169.04916	1.2
173.13260	21.0
173.99243	1.2
175.14828	22.7
177.05507	1.5
187.05969	2.2
191.14337	9.9
193.15819	1.9
200.43617	1.2
209.15370	47.6
213.03981	14.2
227.16409	5.0
231.04904	22.2
239.14011	1.2
249.06093	7.1
255.99161	1.1
273.06061	1.7
291.07037	7.7
357.08029	5.2
375.09332	15.6
383.51431	1.2
393.10248	40.6
449.69153	1.4
462.38113	1.2
493.53729	1.3
562.15735	1.4
636.31995	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	636.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05531	4.2
57.07075	3.7
59.89228	3.0
67.05512	12.0
69.03412	3.4
69.07068	13.0
81.07056	30.8
85.02897	19.7
91.10297	2.5
93.07044	13.7
95.08611	39.5
97.10183	6.3
99.04427	3.5
103.03964	3.8
105.07032	15.5
106.35367	2.5
107.08582	25.6
109.10158	62.3
119.08569	26.2
121.10143	25.1
123.11710	18.1
127.03905	11.7
129.07021	2.6
131.08571	6.9
133.10141	17.6
135.11699	14.3
143.08560	11.1
145.04916	4.9
145.10141	27.6
147.11697	25.6
149.13251	11.0
150.57243	3.1
155.08542	3.3
157.10196	3.4
159.11725	20.6
161.13274	19.2
163.11194	4.3
163.14789	5.1
165.12750	3.3
169.10153	6.6
171.11714	12.9
173.13249	21.2
175.14783	12.4
177.16331	4.3
183.11739	6.2
185.13232	11.8
187.14833	17.3
189.16368	4.9
197.13281	5.2
199.14876	12.9
201.16360	13.7
203.17885	3.2
209.13245	3.1
211.14890	6.0
213.16295	3.6
215.17940	3.7
225.16383	7.0
227.17920	10.6
229.19572	4.6
237.16582	3.0
239.17909	13.8
243.21118	6.3
243.92764	2.7
245.18974	4.2
249.16284	3.0
251.18114	3.9
253.19568	6.7
255.21153	4.6
267.21225	22.6
279.20911	5.3
281.22528	4.9
293.22510	4.2
295.24295	4.4
311.23749	3.4
365.28540	4.7
370.83145	3.0
389.41043	3.4
390.13138	3.1
403.33685	34.4
421.34619	100.0
439.35471	47.4
549.79742	3.1
583.39697	11.9
590.19739	3.0
601.41119	27.4
615.51813	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	636.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15785	1.0
55.05524	4.2
57.07083	1.5
61.29267	1.0
65.29142	0.9
67.05519	17.9
69.07076	15.3
70.87674	0.8
79.05495	2.6
81.07064	22.4
83.08629	5.1
85.02916	5.4
91.05491	2.0
93.07040	13.7
95.08614	26.5
97.02895	2.0
97.10167	5.8
105.07027	8.1
107.08597	22.4
109.10165	92.6
111.08092	1.2
117.07004	1.2
119.08576	17.5
120.68519	1.1
121.10149	33.9
123.08089	1.5
123.11710	9.4
125.09638	1.2
131.08572	7.9
133.10164	12.5
135.08063	2.3
135.11694	12.2
137.13281	1.6
139.11205	2.1
143.08621	2.1
145.10150	15.5
147.08102	1.5
147.11708	14.5
149.09619	1.2
149.13268	10.2
157.10127	11.3
159.11708	18.7
161.13257	13.6
163.14827	6.1
165.12669	1.1
169.10155	5.0
171.11725	11.2
173.13266	14.4
175.14851	8.8
177.16409	10.3
183.11690	5.1
185.13234	8.9
187.11150	1.8
187.14828	11.7
189.16347	3.8
197.13248	2.1
199.14842	6.4
199.94449	1.1
201.16376	7.2
209.13222	1.2
211.14841	6.5
213.16408	9.1
215.17989	4.1
223.14732	1.2
225.16457	6.1
227.17915	6.1
229.19585	1.4
229.65970	1.2
237.16396	3.6
239.17867	11.1
241.15849	1.1
241.19522	6.4
243.17346	2.0
250.20285	1.0
251.17889	1.2
253.19528	6.6
255.17465	1.4
255.21129	2.3
257.18939	1.9
261.18506	2.0
267.21039	1.3
269.18912	1.4
271.20508	2.0
281.22495	12.9
283.20599	1.9
283.24142	1.7
293.22507	1.8
295.24182	1.8
299.23706	5.4
303.86465	1.0
307.24295	1.4
309.22046	1.5
311.23740	4.2
321.25821	1.9
339.26794	2.2
347.27222	2.0
365.28400	6.2
383.29391	7.0
396.07706	1.2
403.33594	18.8
419.32858	4.1
421.34641	72.3
439.35721	100.0
479.35257	3.9
583.36292	1.2
636.36627	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	637.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92774	0.4
59.47723	0.4
63.57375	0.5
65.40428	0.5
69.03428	0.5
90.33526	0.4
105.42431	0.5
110.14658	0.4
118.06543	2.9
124.60120	0.5
126.92384	0.4
132.08084	1.9
136.66867	0.4
141.83788	0.5
144.08086	6.6
146.06010	38.3
159.09167	5.5
170.05986	2.2
188.07068	100.0
205.09727	46.8
356.31357	0.5
365.13852	0.7
615.02606	0.5
637.79785	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	637.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39334	0.5
52.57764	0.6
52.74512	0.6
54.45634	0.6
62.85741	0.6
81.98907	0.7
123.80769	0.7
203.55133	0.8
391.19470	0.8
407.22437	1.4
421.20413	1.0
435.21594	4.9
436.22623	1.6
444.19287	3.4
445.20474	1.1
457.20425	0.9
458.21124	3.8
471.21786	3.9
472.23605	4.8
473.20108	3.1
474.20386	1.5
485.19858	3.4
486.20657	4.9
487.21524	1.6
488.22153	0.9
489.18488	1.3
489.23871	1.0
490.20105	3.7
491.20682	1.6
499.21182	8.9
500.22449	1.6
503.21722	0.8
503.24472	1.0
513.19513	5.5
516.21893	0.9
517.22528	13.8
521.25659	2.7
527.20856	1.4
528.21466	1.0
531.24524	11.9
549.25110	8.2
559.23425	36.0
577.24457	1.0
578.63812	0.8
587.22754	7.9
591.26031	1.2
605.24084	1.5
619.25574	21.4
637.26581	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	637.2651
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
50.54209	0.9
57.20861	1.0
58.87555	1.0
62.31270	0.9
65.96033	0.9
78.98951	1.1
86.02400	1.1
86.16634	1.1
87.81350	1.2
89.44041	1.1
105.69300	1.2
112.83180	1.2
140.20438	1.1
146.96552	1.2
190.49762	1.1
192.21252	1.2
334.07986	1.4
395.65524	1.2
421.20316	1.6
430.21844	1.9
435.21973	2.6
436.23297	1.4
443.22256	4.7
444.19574	7.5
445.20621	1.8
457.20407	2.8
458.21179	7.7
471.22189	9.3
472.23077	8.6
473.19473	7.9
485.19748	4.7
486.20599	9.2
487.21545	2.8
488.22415	1.7
490.19696	2.2
499.21378	21.1
500.22208	2.4
503.24326	7.3
516.21088	1.4
517.22467	6.2
527.20776	2.0
531.23877	19.6
549.24811	2.0
559.23438	70.6
587.22931	15.6
619.25500	100.0
637.26575	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	637.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22883	1.2
52.47731	1.2
68.49201	1.5
119.44369	2.0
141.59236	1.6
150.51598	1.8
173.34335	1.7
444.23132	2.4
457.24197	3.0
458.25027	3.2
459.21756	3.6
460.22617	2.4
472.22699	8.8
475.21289	2.0
476.22125	9.2
485.23648	15.3
486.24921	2.1
503.24210	16.2
513.23163	2.3
517.26459	7.3
535.27002	26.8
545.25446	64.3
563.26776	3.8
573.24957	20.7
578.28442	3.1
605.27979	15.2
637.30267	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05009	4.3
59.28529	4.4
60.28192	4.4
60.28519	4.1
69.03419	9.5
70.06586	24.4
71.04961	5.5
72.08157	6.7
72.60213	4.5
81.03416	9.8
82.31953	4.6
84.08142	9.0
85.02922	36.2
86.09698	21.4
97.02851	18.1
99.04460	8.3
105.01878	6.8
109.02851	4.5
120.08164	8.3
125.45074	4.5
127.03909	20.8
137.05981	100.0
145.04938	4.7
159.66174	4.6
177.09914	7.8
180.06776	4.0
201.05493	21.9
203.06908	4.9
207.06525	8.2
219.06702	5.0
237.09174	9.1
247.07565	5.6
247.10597	5.4
265.08633	27.7
275.80203	4.6
283.09628	8.7
293.08118	27.2
305.07986	5.6
307.09549	39.1
309.11282	4.9
310.08295	4.9
325.10715	85.9
337.10703	8.7
343.11697	54.2
355.11453	18.3
373.12680	5.6
414.28409	5.2
415.11368	8.5
537.13794	8.1
555.15210	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	638.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79935	2.8
56.05035	3.0
58.58306	2.7
69.89045	3.5
70.06586	16.5
71.04996	5.5
73.02921	3.4
81.03432	5.7
84.08144	7.0
85.02902	30.2
86.09695	24.3
97.02865	8.4
99.04449	5.7
105.01839	3.5
109.02872	15.0
113.57507	3.6
120.08091	6.2
127.03899	24.2
129.10265	5.4
137.05962	41.4
145.04996	3.7
150.39481	3.5
159.02936	6.9
166.78728	3.3
168.20822	3.4
175.07585	5.2
177.09775	4.0
201.05397	31.8
223.03386	3.6
225.05457	3.6
233.05984	8.2
237.09050	17.2
265.08640	42.4
292.07355	7.8
293.08047	52.1
295.30505	3.9
297.11206	20.6
307.09695	76.6
317.08023	4.3
325.10666	100.0
328.93173	3.6
337.10687	14.9
343.11783	65.6
349.10519	14.8
355.11865	7.6
391.12021	4.8
415.11639	16.3
519.12793	6.9
537.13953	8.5
555.14746	19.1
573.15631	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	638.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	9.8
55.18821	5.2
57.07077	28.2
58.19622	5.6
67.05517	28.2
69.07077	26.2
69.78854	6.4
71.08627	14.6
79.05488	13.0
81.07056	16.2
83.08620	6.9
85.10190	9.7
88.93819	5.9
93.07024	13.0
95.08591	23.0
104.14783	7.5
105.07040	7.5
107.08611	10.0
109.10149	13.7
135.65001	6.2
183.18599	7.3
203.22362	7.5
223.13249	24.5
291.19583	82.0
313.27310	68.9
365.23288	56.1
516.17493	6.8
537.77277	6.4
603.46216	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	639.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03268	0.4
63.32502	0.4
69.03436	1.0
79.72672	0.5
81.03426	3.5
82.36058	0.5
85.02904	0.7
89.03884	0.7
109.02881	1.8
113.80491	0.4
117.03374	8.0
124.91941	0.4
145.02847	49.6
146.55908	0.5
149.05931	3.1
160.44722	0.4
163.03966	0.5
177.05464	100.0
186.05586	0.5
293.90088	0.5
301.07050	26.1
304.06143	0.4
321.09671	3.5
339.10736	6.2
381.86960	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	639.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90135	0.2
67.52901	0.2
69.03427	1.6
81.03420	3.8
85.02892	0.6
89.03912	1.4
92.21446	0.5
97.40143	0.3
99.04458	0.3
108.18467	0.3
108.47851	0.3
109.02871	1.6
117.03376	7.1
127.03901	0.5
134.03564	0.3
145.02847	49.1
149.06001	3.3
177.05461	100.0
186.05583	0.3
190.56023	0.3
213.01666	0.3
235.46584	0.3
301.07056	37.6
321.09686	4.4
339.10703	6.9
347.50397	0.4
403.07672	0.4
407.49545	0.3
466.23346	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	639.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43017	0.3
69.03427	0.3
81.03430	3.1
85.02886	0.6
89.03909	2.3
92.21042	0.3
99.04432	0.3
109.02868	0.5
116.04078	0.4
117.03378	9.8
117.04192	0.5
120.08073	0.4
121.02930	0.4
127.03925	0.4
134.03542	0.4
135.04453	0.6
145.02850	63.4
149.05962	4.6
163.03900	0.5
177.05466	100.0
186.05542	0.6
195.06538	0.5
222.98473	0.3
244.09415	0.3
286.04956	0.4
301.07065	69.8
321.09839	2.3
339.10666	2.4
340.70114	0.4
380.06992	0.3
455.96970	0.4
518.77600	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	639.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	1.3
70.95236	0.2
81.03423	4.4
85.02916	1.4
85.06555	0.3
86.93092	0.2
89.03914	1.7
92.21111	0.4
93.53043	0.2
95.08615	0.3
99.04488	0.5
106.03001	0.2
109.02896	2.0
117.03382	7.7
127.03963	1.0
134.03627	0.2
135.04437	0.3
145.02853	52.1
147.11742	0.3
149.05977	3.0
166.33070	0.2
177.05467	100.0
183.88858	0.3
186.05553	0.4
195.06514	0.4
197.10678	0.2
243.30133	0.3
286.04810	0.3
301.07056	27.2
321.09714	3.9
339.10745	6.1
492.92273	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	639.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10713	0.2
53.41571	0.3
54.98868	0.2
68.28802	0.3
68.63550	0.3
69.03432	5.0
81.03410	1.4
85.02908	0.8
89.03899	1.6
97.02895	0.6
105.49461	0.3
109.02855	0.6
109.10139	0.4
117.03370	7.0
127.03888	3.0
135.04436	0.4
145.02846	51.5
149.05986	3.0
160.76971	0.3
163.06198	0.3
177.05464	100.0
186.05467	0.5
195.06424	0.3
256.76288	0.3
301.07056	50.0
315.04932	0.4
321.09656	4.7
339.10727	10.4
591.85992	0.3
639.23474	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	639.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18340	0.9
52.65041	1.0
54.37026	1.1
64.54179	1.1
92.20863	1.4
99.92006	1.3
140.62999	1.4
215.92349	1.5
327.09662	1.4
436.22662	2.4
449.23505	1.9
462.19797	1.8
463.21249	1.7
468.21414	2.1
475.21054	5.3
479.20520	8.5
480.21283	7.3
481.22440	2.4
487.20724	1.9
489.19122	7.0
491.24054	7.1
493.22491	11.9
503.23984	5.0
505.18118	1.8
506.19330	2.2
507.19965	8.5
508.24567	1.7
509.25055	7.8
517.22528	2.0
520.20776	1.7
521.21442	2.8
535.23267	2.3
537.21136	6.0
549.22125	1.7
551.26129	1.9
552.23553	30.0
563.22742	1.8
579.22095	5.2
597.27142	15.2
611.28223	2.0
621.24432	2.7
622.27393	5.7
639.24481	100.0
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
58.51254	0.6
66.17661	0.8
71.91974	0.7
92.21535	1.2
161.27927	0.7
194.43048	0.9
307.82617	0.8
340.14819	1.0
414.14435	1.7
434.20804	4.3
435.21606	3.2
451.21536	2.7
463.24814	3.3
465.18906	16.4
466.19897	1.5
474.20566	1.0
475.21378	1.1
477.19089	1.2
479.20337	17.0
480.21530	3.4
489.22705	5.2
493.22137	3.5
501.19064	1.4
502.19998	1.0
505.18033	1.4
506.19467	1.3
506.91553	0.9
507.23999	8.8
508.24585	1.7
509.21744	1.4
515.21069	1.4
517.22443	18.8
518.22437	1.3
519.20258	1.0
523.23895	6.9
535.23523	10.1
537.20868	10.2
540.23578	1.2
551.22766	4.9
552.23431	9.4
561.21198	7.5
565.24323	4.3
579.22308	1.7
593.24750	1.1
595.25439	1.7
621.23560	5.9
639.24426	100.0
639.40930	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	639.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09543	0.3
61.72272	0.4
62.71179	0.4
73.10312	0.4
78.46889	0.4
92.21177	2.0
98.75369	0.4
100.98907	0.4
126.52296	0.5
253.09634	0.9
281.09152	3.0
283.10812	2.7
285.36099	0.5
295.10794	1.9
297.12292	2.0
298.13165	5.1
309.08731	7.5
324.11044	0.8
327.09705	7.8
329.11380	0.8
341.11462	1.8
342.12112	100.0
343.12860	11.5
343.16531	0.7
361.14398	0.5
385.14462	0.6
389.13815	3.2
402.14755	0.7
403.15475	2.8
413.13705	0.8
416.36661	0.5
422.30823	0.5
430.13986	0.6
431.14804	9.4
432.16016	0.6
468.17950	0.7
482.19223	56.5
571.21686	2.6
589.22925	9.8
607.23993	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	639.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85970	0.3
52.87016	0.3
74.87408	0.4
84.55644	0.4
86.82689	0.3
88.28547	0.3
90.13174	0.4
92.66487	0.3
111.52834	0.5
343.19949	0.5
346.41943	0.5
406.21631	0.6
407.22281	4.5
420.22940	3.3
421.23889	8.4
422.24719	1.7
433.24048	0.6
434.25021	0.5
435.25574	0.4
451.21274	6.7
452.22144	0.7
461.23474	1.6
465.22864	14.8
466.23572	0.7
475.25879	1.1
478.75705	0.5
479.24435	1.5
487.21255	0.7
488.22058	0.6
491.20450	1.5
492.20786	0.6
493.26044	1.6
501.22791	1.7
503.24414	10.9
504.24811	1.5
507.27560	9.6
508.28424	1.5
520.25433	0.7
523.23218	3.6
533.25513	0.9
535.27039	8.2
537.24945	9.4
551.26294	4.0
552.27344	8.0
561.25281	2.9
579.26068	2.3
580.26392	2.8
595.29095	2.2
621.26898	4.9
639.28125	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50350	0.4
65.09858	0.5
89.64697	0.4
90.82241	0.4
103.02345	0.5
107.55247	0.4
165.08650	0.5
191.54388	0.6
194.33859	0.5
286.28622	0.5
398.50436	0.6
420.23254	2.3
451.21542	1.0
452.22086	0.8
465.22888	24.5
477.26712	1.1
479.24515	5.6
480.25232	2.2
488.22482	0.6
491.20834	0.8
492.21747	2.8
493.26163	3.2
503.24432	21.9
504.24951	2.7
505.22220	0.7
519.24261	1.2
521.25543	13.4
529.21954	0.6
537.24988	7.4
547.23053	2.1
565.24481	41.3
580.26801	5.5
607.25482	3.1
639.28162	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27873	0.4
53.11317	0.4
53.18500	0.5
67.55122	0.4
90.31380	0.6
99.06238	0.5
124.63010	0.7
186.75105	0.5
190.70416	0.7
244.05396	0.6
311.13892	0.8
433.24173	1.0
447.21741	1.1
460.22845	0.7
464.22110	1.2
465.22763	8.7
475.20993	0.9
477.23004	0.7
478.23169	1.1
479.24405	32.5
480.25711	0.9
487.21399	1.2
491.20874	3.9
491.25269	0.8
492.25232	2.9
493.25995	23.3
501.22992	1.3
502.23401	1.1
503.24344	2.2
505.21579	0.8
507.27567	0.7
519.24030	3.5
523.23376	12.5
537.24945	38.7
547.23383	6.4
548.23859	0.7
549.21399	0.8
551.26630	15.7
552.27289	24.1
579.25732	2.8
607.25427	3.3
639.28149	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.281
Annotation	Unknow
Peak:m/z	Relative Intensity
60.42104	0.5
95.08635	0.8
97.97916	0.6
102.80025	0.5
157.86354	0.7
280.36227	0.6
423.21548	0.9
433.20007	2.9
436.22818	0.7
440.88474	0.8
446.20956	1.0
447.21497	2.8
449.79077	0.8
451.20865	2.1
459.21844	3.0
461.19595	2.8
462.20459	12.2
465.22723	1.1
471.21588	0.9
473.19324	0.9
474.20114	1.0
475.21307	10.9
477.19131	0.8
478.19449	2.3
479.20679	3.3
483.21713	3.7
484.09116	0.8
484.22498	1.2
485.23605	0.8
486.20041	0.8
487.21518	5.0
489.19052	21.1
491.19913	4.3
501.23001	11.2
502.23413	3.4
503.21494	0.7
503.23810	0.7
505.25952	0.9
506.26807	1.2
511.21124	2.4
513.22552	1.1
515.20044	1.1
519.23328	3.3
520.21021	13.4
521.21979	3.3
523.19745	3.0
529.21954	1.1
531.23975	1.1
533.25800	5.5
534.26105	5.5
537.22131	1.3
538.22113	0.7
539.20630	1.3
543.23883	1.0
547.23285	1.3
551.26398	3.1
561.25000	18.5
562.25238	0.9
565.24689	1.0
571.23236	2.6
589.24579	5.2
593.27295	1.1
607.25171	1.2
621.27094	8.2
639.28064	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49279	0.8
51.82279	0.9
61.14902	0.9
63.80651	0.9
70.21473	0.9
73.94367	1.0
76.33006	0.9
102.80739	0.9
223.12637	0.9
237.37961	1.2
433.20175	1.9
446.20816	4.4
447.21872	1.8
457.24634	1.1
459.21875	4.0
460.22113	2.0
465.22995	1.3
473.24060	2.8
474.23358	2.0
475.21210	6.0
479.24631	3.7
487.21326	4.4
488.21594	6.2
489.20276	1.4
491.20322	7.5
492.21582	1.5
500.21741	2.1
501.22406	11.2
502.24265	7.1
503.24127	1.9
505.25009	1.8
506.26984	1.9
517.22235	2.3
519.23425	1.7
520.21661	1.1
529.22174	1.5
531.23975	3.8
533.25018	12.8
534.26404	6.6
537.25153	2.0
551.26361	1.7
559.23535	1.4
560.24194	2.1
561.24432	47.6
565.24896	4.0
571.23468	2.1
577.27106	1.2
589.23938	11.4
613.50452	1.1
621.26416	54.3
639.27972	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	639.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39751	0.8
55.07565	0.7
60.09900	0.8
60.66264	0.7
67.05508	2.1
79.16006	0.8
81.07064	1.3
91.05490	1.0
129.75546	0.9
131.70514	0.9
134.36508	0.9
158.94885	1.0
171.45287	0.9
203.71245	1.0
221.69867	1.0
260.03961	1.0
292.68958	0.9
296.25815	1.2
337.40405	1.0
432.89795	0.9
474.20172	3.5
475.21051	1.8
479.24454	12.0
487.21732	2.1
488.22006	1.4
491.20496	1.3
492.25659	1.4
493.26099	8.8
501.23343	7.1
502.19238	7.4
503.21014	4.6
513.22943	1.7
515.21021	1.1
519.23743	8.1
523.23682	8.9
529.22552	4.1
531.24591	1.1
533.21765	1.6
537.25140	19.7
547.23328	24.9
547.30823	1.5
551.26630	6.0
552.27563	7.6
561.24866	4.4
565.24731	5.2
575.22729	1.9
579.25922	10.1
589.24323	1.7
607.25403	11.6
621.27533	1.1
639.28174	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.84817	0.9
63.13523	0.9
63.94994	0.9
67.05521	1.3
67.07544	1.0
88.45000	1.0
119.55683	1.1
173.11737	1.3
240.30484	1.1
308.50409	1.3
331.43875	1.3
433.20343	1.4
465.22656	10.4
469.76913	1.2
474.20221	1.9
475.21176	4.3
487.21359	2.4
492.21582	2.3
493.25842	1.9
501.22949	4.9
502.20285	5.9
503.24228	7.3
513.23273	2.2
519.23901	6.9
521.25385	8.0
529.22479	4.3
532.21454	1.7
537.25098	6.3
539.21442	1.4
547.23346	29.4
561.25079	5.1
565.24469	23.3
575.23328	4.7
579.25903	6.7
607.25525	18.0
639.28241	100.0
639.40613	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	639.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25044	0.7
69.53615	0.7
86.75371	0.7
95.08569	0.8
95.71045	0.9
96.10534	0.8
105.50968	0.7
213.46713	0.9
313.35144	0.9
420.23224	1.2
421.24051	1.9
423.21661	3.3
433.24002	0.9
434.24753	1.3
437.23798	1.0
447.21594	3.8
451.21179	1.2
463.21494	1.2
465.22913	6.4
477.23151	1.0
479.24414	47.3
491.24536	1.6
492.25012	3.6
493.25977	8.7
501.22833	1.1
503.24402	3.3
507.26999	3.6
519.23938	4.2
520.27820	1.0
521.29163	1.4
537.24713	4.4
547.27271	5.8
551.26514	17.8
552.26837	1.1
564.27179	4.7
565.27435	5.1
566.28851	21.2
579.30084	12.7
631.36615	0.9
639.31812	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
53.90200	1.0
55.05520	1.6
56.49348	1.0
61.02918	1.4
69.03425	7.4
69.03742	1.0
69.07076	6.9
70.06599	5.0
71.05012	1.2
73.02903	1.3
81.03427	7.0
81.07063	8.0
83.08611	6.7
85.02912	32.8
85.03429	1.2
86.09718	2.0
87.00840	10.6
90.67595	1.2
93.07026	6.2
95.08612	29.0
97.02887	12.2
97.10159	5.4
99.04457	7.2
99.08112	8.6
101.09025	1.0
102.23054	1.0
105.01875	18.3
105.07037	1.6
107.08601	31.3
109.02886	10.7
109.10184	8.5
111.08061	2.0
121.10146	55.4
123.11716	4.6
125.09632	1.9
127.03917	22.0
129.01913	1.7
129.10204	1.4
133.10115	2.3
135.11707	17.7
137.13242	6.1
145.04962	5.5
147.11690	1.9
149.13258	2.6
159.02902	1.9
159.11729	1.3
175.14828	2.5
177.16383	100.0
195.17441	19.5
213.18477	24.9
231.04974	7.3
249.06114	6.6
283.39291	1.4
375.23773	1.5
389.19513	1.4
393.10233	4.4
407.20648	4.4
411.10944	1.7
425.21545	5.9
443.22470	4.6
461.23615	5.9
640.31335	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	640.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
53.90200	1.0
55.05520	1.6
56.49348	1.0
61.02918	1.4
69.03425	7.4
69.03742	1.0
69.07076	6.9
70.06599	5.0
71.05012	1.2
73.02903	1.3
81.03427	7.0
81.07063	8.0
83.08611	6.7
85.02912	32.8
85.03429	1.2
86.09718	2.0
87.00840	10.6
90.67595	1.2
93.07026	6.2
95.08612	29.0
97.02887	12.2
97.10159	5.4
99.04457	7.2
99.08112	8.6
101.09025	1.0
102.23054	1.0
105.01875	18.3
105.07037	1.6
107.08601	31.3
109.02886	10.7
109.10184	8.5
111.08061	2.0
121.10146	55.4
123.11716	4.6
125.09632	1.9
127.03917	22.0
129.01913	1.7
129.10204	1.4
133.10115	2.3
135.11707	17.7
137.13242	6.1
145.04962	5.5
147.11690	1.9
149.13258	2.6
159.02902	1.9
159.11729	1.3
175.14828	2.5
177.16383	100.0
195.17441	19.5
213.18477	24.9
231.04974	7.3
249.06114	6.6
283.39291	1.4
375.23773	1.5
389.19513	1.4
393.10233	4.4
407.20648	4.4
411.10944	1.7
425.21545	5.9
443.22470	4.6
461.23615	5.9
640.31335	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	640.478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	58.1
58.08073	9.1
67.05511	87.1
68.05022	13.2
69.07058	39.8
71.01351	39.5
71.08624	57.7
76.80352	7.9
79.05490	67.2
81.07068	100.0
83.04991	15.6
83.08633	17.2
87.68359	7.7
91.05468	14.5
92.20967	13.6
93.07040	59.3
95.04990	13.7
95.08620	69.9
96.14172	7.9
96.32883	8.9
97.06522	14.1
97.10184	48.0
99.08112	37.7
101.15589	8.9
105.07028	13.9
107.08600	52.4
109.10146	58.9
119.08553	34.7
121.10175	34.6
125.09607	12.5
129.07014	12.0
133.10107	37.8
135.11705	34.3
139.11177	38.7
151.11191	35.0
163.11131	9.0
189.11183	9.4
232.20358	9.9
293.21042	34.2
505.35251	12.3
640.42322	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	640.5361
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28265	1.4
55.05517	13.5
57.03440	2.2
57.07084	51.5
64.99990	1.5
65.20141	1.6
67.05515	26.4
69.07077	27.0
69.37201	1.7
71.04981	1.4
71.08276	2.6
71.08636	43.7
73.06545	8.0
79.05495	17.5
81.07066	27.8
83.04979	2.4
83.08627	21.5
85.10179	33.6
85.93645	1.7
87.04465	1.8
89.06033	100.0
91.05463	12.5
93.07043	14.5
95.08622	18.3
97.06565	2.8
97.10176	15.9
105.07048	10.7
107.08604	10.9
109.10165	27.0
111.08054	2.6
111.11692	1.9
117.06994	2.5
119.08578	9.2
121.10152	6.9
123.11726	3.1
125.09640	2.5
131.08562	4.0
133.08612	24.8
133.10100	13.1
135.11702	1.8
137.81851	1.7
145.10167	6.9
147.11699	3.8
159.11691	3.0
168.77292	2.1
177.11244	11.6
185.13303	2.1
221.13893	2.1
227.12711	8.1
229.14410	8.4
275.20020	2.7
311.25787	2.8
313.27344	23.9
341.34183	9.4
349.23718	9.2
371.22733	3.9
385.36630	3.8
401.79675	2.0
453.10376	1.8
465.35641	7.9
467.37210	18.6
505.38843	24.9
507.40186	14.1
547.43597	3.5
568.93463	2.3
587.46838	22.3
605.47754	3.1
623.50952	59.2
640.53772	58.1
663.15643	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	641.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15133	0.7
55.01887	1.3
60.66005	0.9
74.00659	1.8
76.02251	1.1
84.04519	3.7
90.05550	14.1
92.01712	5.9
99.05570	1.5
107.99426	1.5
109.07651	1.4
113.01684	1.2
126.05517	12.4
127.05025	19.3
127.05907	1.0
130.05014	3.8
131.99350	1.7
141.06601	7.4
144.06563	20.8
145.06067	18.0
153.06648	4.5
155.08183	6.2
158.02724	5.3
159.02232	1.4
159.07704	4.3
173.03766	1.3
175.05525	1.1
176.03720	3.7
181.06078	7.1
185.03751	16.3
191.04842	91.2
193.06438	11.4
199.07080	9.4
225.03642	6.9
231.02477	4.2
231.04349	100.0
247.02141	0.9
249.03607	17.9
265.03284	4.8
270.11057	1.1
271.09323	1.5
302.08051	12.0
383.10513	38.5
423.10223	5.5
494.14105	1.3
512.14746	46.6
552.14771	4.2
623.18109	6.7
641.19086	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	641.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37049	1.9
54.37277	1.9
56.07906	1.7
56.95469	1.6
63.67447	1.8
67.51817	1.8
69.07076	2.0
69.20448	2.1
75.99321	2.1
81.92294	2.0
83.50569	2.0
107.08559	2.5
109.09152	2.4
144.46674	2.3
160.58017	2.2
163.14507	2.3
166.72659	2.3
435.21945	2.6
436.22757	4.0
449.19720	11.3
453.22809	3.5
462.20108	3.0
463.21274	100.0
473.31271	2.5
475.20242	4.2
476.22235	5.3
477.22861	5.2
519.24030	4.8
536.24213	60.3
537.25110	17.0
554.25012	15.8
597.27069	4.2
623.24988	46.9
641.16003	3.7
641.26129	90.8
641.42975	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	641.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39718	1.3
53.63431	1.4
54.54621	1.5
67.05520	2.6
79.05500	2.2
81.07066	3.3
84.19032	1.8
91.05422	1.9
93.07059	2.0
95.08629	3.6
97.10143	2.4
99.43259	2.0
102.39236	1.8
107.08575	2.0
109.10146	2.6
109.34179	1.9
113.70602	2.4
118.88539	2.0
133.10178	2.3
153.82538	2.1
178.02977	2.3
194.34300	2.0
202.96806	2.0
235.59836	2.1
307.06616	2.1
320.24146	14.7
362.25339	9.2
434.21033	7.9
461.15857	22.7
462.20932	21.2
475.17554	2.6
490.20038	100.0
494.19299	7.8
591.22430	28.1
623.25232	36.4
631.44415	2.2
641.25885	59.6
641.51160	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	641.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68192	1.5
55.05527	3.0
67.05500	8.7
69.07079	1.9
69.26997	1.8
79.05487	8.1
80.59187	1.6
81.07065	9.2
81.17440	1.9
83.08651	2.1
91.05492	3.7
93.07052	4.3
94.42902	1.6
95.04987	1.7
95.08601	3.3
97.10155	2.2
98.08738	1.8
105.07040	7.2
107.08610	7.5
109.10184	2.4
109.26068	1.6
109.98949	1.6
119.08571	4.3
121.10187	2.3
131.08592	2.0
133.10115	2.9
133.61293	2.1
135.11713	2.3
147.11751	3.0
159.11688	2.4
182.11092	1.7
209.15504	1.7
235.89314	1.9
238.19579	1.6
349.23917	4.0
422.21210	2.8
423.21518	5.3
435.21793	40.9
436.22437	3.2
448.22516	2.2
449.23349	33.7
450.24091	7.1
451.25015	8.0
453.22809	7.9
454.19952	10.0
461.23227	13.2
463.21112	12.8
464.21436	2.6
467.20673	2.2
475.20877	2.1
477.22870	21.5
479.20578	13.6
479.25525	6.1
493.21909	7.9
494.23135	43.9
495.23868	37.9
496.21390	2.3
497.21924	6.9
505.22903	3.0
509.21924	37.1
522.21741	2.6
523.23438	32.3
545.25018	2.2
551.19452	4.2
563.25415	10.6
567.22620	4.1
581.23907	8.8
583.21814	7.3
597.27100	98.9
598.23138	2.5
599.25201	2.7
609.23438	42.4
623.27814	12.1
623.42780	10.8
641.26611	100.0
641.44305	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	641.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
62.42251	0.8
67.05511	1.7
69.07092	1.0
79.05509	1.2
81.07065	1.7
83.08625	1.8
91.05511	1.1
93.07048	2.1
95.08591	0.9
101.98229	1.0
107.08631	1.9
109.10151	1.3
119.08578	0.8
121.10136	1.2
157.47029	1.0
166.84618	0.9
204.01387	1.0
238.14780	0.9
436.22549	1.3
447.18335	4.2
449.19583	1.8
461.16107	2.0
462.20630	18.9
463.21271	13.9
465.19345	1.3
479.20865	3.8
489.19009	11.8
490.19852	16.9
491.20770	21.9
492.21909	4.7
503.21201	3.5
505.22437	1.9
517.22076	1.9
521.21918	8.3
522.22675	3.9
527.20514	1.2
529.21948	1.2
531.20154	1.4
532.21313	1.3
535.23737	1.4
547.23492	8.3
549.21436	1.1
577.24597	7.4
591.23029	1.2
605.23718	8.8
623.24982	15.0
641.26117	100.0
641.43939	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	641.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81805	0.7
58.37191	0.6
62.20376	0.7
67.42668	0.6
71.07143	0.7
74.45032	0.7
85.45932	0.9
86.03773	0.7
88.24943	0.8
106.07883	0.7
134.61899	0.9
140.35092	0.7
153.58154	0.8
158.09280	0.8
217.14949	0.8
323.19714	0.8
376.35794	0.8
421.20642	0.9
436.22873	0.8
447.18768	0.9
449.19727	1.3
462.20502	15.3
463.21542	10.7
472.22803	0.8
473.24173	1.0
474.20679	1.3
475.21347	4.6
477.22922	3.6
479.20688	1.4
487.25272	1.2
489.18903	12.0
490.19843	12.6
491.20618	16.1
492.21713	3.9
499.21442	1.3
501.19022	1.6
503.20895	1.6
507.20123	1.0
508.21164	1.5
517.22925	7.7
521.21851	5.0
522.22571	3.3
532.21277	1.1
535.23529	3.3
545.24896	1.3
547.22949	6.9
549.24384	1.5
550.25702	1.8
551.22705	4.1
573.21356	1.3
577.24536	8.0
605.24023	8.1
623.28973	20.6
641.26086	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96560	3.9
52.82301	4.3
69.95937	4.7
71.08655	4.9
88.43832	5.1
161.97896	5.1
279.89938	6.6
435.21494	6.2
449.23468	6.1
477.22614	10.0
495.24057	38.7
581.23846	9.1
609.22852	23.1
625.02795	5.9
641.26227	100.0
641.45337	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	641.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51696	0.5
57.53910	0.5
92.90647	0.6
104.41072	0.6
249.48567	0.8
421.23801	1.4
423.25659	0.9
433.24030	1.1
435.09085	0.6
446.24719	2.2
447.21481	1.0
449.23386	0.7
463.21341	0.9
465.22546	7.5
467.24524	3.4
477.22913	7.3
479.21170	2.6
481.22269	4.6
491.20471	19.5
492.25018	2.9
493.26080	2.8
495.24066	3.2
501.22925	14.0
502.23627	1.3
503.20761	5.4
510.26218	1.1
519.24231	8.5
521.21753	4.5
536.23987	9.7
537.25000	7.0
539.22760	10.8
554.25232	12.7
563.23035	3.1
581.23950	0.8
623.24689	3.2
641.26038	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01940	0.5
53.23203	0.6
53.89408	0.6
62.49119	0.5
67.05493	1.0
69.07067	0.5
70.31420	0.6
75.53056	0.6
81.07066	3.0
92.20940	1.2
93.07026	0.8
95.08627	0.8
109.10192	0.7
133.10097	0.7
135.89658	0.6
210.12744	0.8
225.73659	0.7
236.13042	0.9
237.14009	1.5
239.15376	4.5
249.13889	0.9
250.14212	0.6
251.15433	4.1
252.16219	0.8
265.13388	3.0
277.13379	2.5
279.60010	0.8
285.42151	0.6
289.13208	1.4
298.17508	0.6
316.15619	0.9
325.48495	0.6
344.36942	0.6
384.38916	0.8
451.21310	1.1
462.19974	1.1
463.21490	1.1
477.22787	1.2
478.20563	0.8
479.20908	0.9
481.15036	1.2
489.19131	9.2
490.19995	3.1
491.20200	5.2
495.24146	3.2
501.22919	1.1
503.21109	2.1
503.28522	0.8
505.22287	3.0
511.19482	1.0
517.22955	0.9
519.23956	0.9
521.22382	5.0
524.20300	1.2
529.22925	1.0
539.22723	1.2
548.20306	1.5
563.23267	2.7
579.26105	3.2
582.22101	0.8
591.22839	1.3
597.27478	3.1
605.23889	1.5
623.25073	3.6
641.26025	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86748	0.6
75.55824	0.6
88.19611	0.8
102.63131	0.7
111.36259	0.6
124.19590	0.7
209.19781	0.7
210.11147	0.8
407.21988	0.9
421.20267	1.4
423.21701	1.3
433.19931	2.9
434.21042	2.9
435.21906	5.1
447.21674	1.2
448.22629	1.2
449.19620	7.6
461.23468	1.0
462.19955	1.2
463.20932	3.2
464.21759	3.1
474.20297	1.2
475.21359	1.3
479.20804	0.9
481.22159	1.5
489.22693	3.4
491.20465	2.7
493.23245	5.0
494.23007	4.7
495.24008	5.8
499.21719	1.4
502.19888	1.3
503.20798	1.0
507.24414	5.0
517.22345	2.6
521.26062	17.7
523.26733	1.3
532.20721	0.9
534.22339	3.4
535.23108	5.2
539.22723	4.3
548.20544	4.5
553.24701	3.2
563.22571	11.1
581.27661	35.3
591.22028	2.6
609.26538	1.3
623.24890	19.8
641.29645	100.0
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
52.31279	0.9
55.05525	1.5
56.26931	0.9
57.07076	1.3
59.05035	1.0
59.65508	0.9
67.05495	4.1
69.07059	1.4
76.90068	0.8
81.07075	1.8
83.08597	1.0
83.39680	0.9
84.85279	1.0
91.05460	1.2
93.07015	1.7
95.08603	4.0
97.06566	0.9
97.10163	1.2
99.04450	1.0
107.08611	1.5
109.10146	2.1
109.41427	0.9
123.99977	1.0
139.01971	1.0
181.85492	0.9
198.14842	1.9
343.32263	1.0
344.24655	1.1
378.87750	1.0
407.22327	1.4
421.19049	1.1
421.24033	4.8
433.24005	1.4
435.20215	1.2
437.19922	1.4
451.21204	3.5
465.22849	22.1
477.22141	7.7
489.22891	1.6
495.24158	1.2
503.24033	4.3
505.26221	3.3
506.26816	1.8
509.28708	5.2
515.24579	1.3
519.27631	1.6
535.24567	1.3
537.24628	2.3
545.25244	1.9
547.27429	13.6
550.25769	9.1
552.26819	5.5
553.28198	18.5
563.25079	2.2
591.25726	1.4
605.27844	1.4
623.28442	9.2
623.50696	1.4
641.29694	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	641.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	9.0
55.77156	3.6
59.25380	3.1
67.05507	30.9
67.37498	3.7
68.94122	3.8
69.07076	8.4
79.05495	21.1
81.07072	37.7
83.04967	4.6
83.08614	8.3
84.87355	4.0
91.05472	17.1
93.07036	23.5
95.04969	4.9
95.08640	30.5
95.09155	4.1
103.05459	4.5
105.07031	8.9
107.08588	18.4
109.10155	17.8
117.06978	4.7
119.08540	7.0
121.10115	9.3
131.08511	5.7
133.10117	6.1
135.11691	4.2
137.27249	4.0
145.10117	5.5
147.11670	6.8
161.13199	4.2
189.41373	4.9
239.17583	4.5
261.87073	4.5
309.21945	4.8
438.02493	5.0
440.84372	5.0
462.19659	5.3
477.22717	10.0
494.20486	34.2
522.19690	5.5
535.22589	4.9
550.25867	6.0
623.28729	69.3
623.42798	8.2
641.26892	100.0
641.43329	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	641.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13707	0.9
53.60866	1.0
54.33007	1.0
55.05534	1.0
57.07073	1.2
62.08705	0.9
63.91594	1.0
67.05497	7.4
69.07050	2.1
79.05491	2.5
81.07047	7.0
81.14100	1.2
83.08611	1.4
91.05444	2.4
93.07045	2.4
95.08598	6.6
105.07040	2.3
106.28069	1.1
107.08552	1.9
108.08111	1.2
109.10126	5.0
119.08591	1.9
123.11723	1.3
129.05766	1.0
131.08508	2.5
132.15753	1.4
133.10091	1.6
145.10141	1.5
173.11676	1.2
225.13892	1.5
227.11732	1.3
239.15392	2.4
251.15277	2.2
265.13361	1.5
360.12866	1.5
384.16989	2.1
392.19778	1.6
406.21558	1.6
407.21878	5.9
419.22079	1.6
421.23410	6.1
422.24536	1.9
434.24313	2.1
435.22171	1.3
437.23145	1.6
444.19678	1.6
449.43912	1.3
462.20370	4.8
463.21158	14.3
473.23419	2.1
475.20871	5.3
476.21088	2.2
477.22681	5.6
481.15176	1.8
489.19073	6.5
491.20218	2.0
491.24612	1.5
494.26569	2.6
495.27774	1.8
503.20258	2.2
517.21606	1.6
521.22156	1.9
535.22998	6.9
545.25763	8.6
547.26709	6.9
549.25281	11.5
550.25208	5.9
553.23859	2.4
563.24628	2.6
591.26355	9.6
597.26843	1.4
600.21344	1.6
605.26642	6.3
609.27246	8.4
623.28723	67.4
623.40021	3.2
623.42517	2.6
641.26642	100.0
641.44989	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	641.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59729	0.9
55.05521	1.7
57.07083	1.4
67.05512	4.6
71.08626	1.7
77.66886	1.2
79.05495	1.8
79.09880	1.1
81.07059	6.5
83.08633	1.6
91.05486	1.9
93.07046	1.8
95.08640	2.3
105.07002	1.1
107.08627	1.2
109.10171	4.1
119.08551	1.5
121.10133	1.3
131.08556	2.2
132.06046	1.2
135.08102	1.2
135.11716	1.4
239.15234	1.3
258.93262	1.2
273.38956	1.1
281.04175	1.3
307.10797	1.7
313.15518	1.3
338.76865	1.2
384.16812	1.6
406.21310	1.3
407.21936	7.5
419.22214	2.1
421.23410	2.1
422.24274	2.4
433.23972	5.5
445.24280	1.6
460.22266	2.5
463.21033	6.9
473.23325	5.2
474.24384	2.4
475.21283	5.6
477.22830	22.0
485.23300	1.4
487.24689	6.3
491.24368	5.6
505.25812	4.3
506.26611	5.6
515.24109	2.1
518.23322	1.6
519.27539	4.4
532.24805	1.6
535.23633	7.3
545.25708	8.7
547.27039	16.0
549.24866	11.0
550.25739	15.4
563.25977	2.8
564.27637	1.9
566.24182	1.7
579.29852	4.4
591.25677	4.6
605.27332	12.0
609.26624	7.4
623.28668	100.0
641.30011	49.0
641.43774	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	641.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30967	0.8
56.05041	2.5
58.98123	0.9
59.33519	0.8
60.05653	1.3
61.02930	4.7
69.03430	1.6
70.06612	1.4
72.04523	6.2
72.08154	1.1
73.02906	1.9
74.06090	4.0
76.05138	17.5
78.75340	0.9
81.03426	5.2
83.08624	3.9
83.61425	1.0
85.02917	4.7
86.07183	2.0
88.61345	0.9
91.03954	2.2
95.04988	1.6
96.05622	31.2
97.02927	2.5
97.06426	1.5
102.05536	1.8
109.10152	1.1
114.06642	11.8
116.08210	1.8
118.05012	7.1
120.06603	1.7
127.03941	1.1
135.07671	1.9
160.07164	11.4
170.58759	1.0
175.11212	1.9
177.09843	9.9
192.13910	4.1
193.12247	11.3
232.14525	4.6
267.16080	2.2
342.20340	1.4
360.21329	14.2
461.26208	4.6
623.31702	11.0
641.32434	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78597	1.8
52.29720	1.7
56.05050	1.9
67.05125	2.0
70.06596	8.4
72.04514	8.2
72.08153	2.3
73.02924	1.9
76.05126	14.9
81.03433	4.9
83.08646	2.3
84.08166	4.2
85.02906	2.3
86.06063	4.4
86.09696	3.1
96.05620	39.2
97.02894	3.8
101.46826	2.2
109.10172	4.0
114.06680	9.8
116.08170	2.8
118.05036	11.9
120.06611	3.2
127.03906	2.6
135.07628	2.4
141.60445	2.2
160.07169	10.3
163.93573	2.0
177.09854	19.8
193.12268	14.6
209.77249	2.2
211.82913	2.3
232.14493	8.3
249.20735	2.7
360.21182	9.9
461.26077	3.4
479.27197	3.0
623.31238	21.9
641.32507	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08257	1.2
54.09307	1.3
55.01875	1.3
55.05517	3.0
55.98773	1.5
57.03448	2.6
61.00647	1.4
61.02937	5.9
67.05521	13.5
69.03424	15.0
69.07076	15.5
73.02941	2.5
79.05486	3.9
81.03423	5.7
81.07062	23.4
83.08633	2.1
85.02906	41.7
87.04478	7.2
91.05498	6.8
93.07051	18.2
95.08610	28.1
97.02888	15.6
99.04459	3.2
102.13292	1.8
105.07023	19.0
107.08600	24.6
109.02892	6.8
109.10159	28.7
117.07046	7.3
119.08582	37.0
121.10158	19.0
123.11731	7.8
127.03926	9.7
129.07030	1.7
131.08534	10.9
133.10104	17.6
135.11757	8.3
143.08591	9.3
145.04955	2.2
145.10135	30.1
147.11685	17.9
149.13297	8.0
152.52086	1.7
155.08591	2.9
157.10083	19.5
159.11697	21.6
160.57458	1.5
161.13261	13.5
163.14784	2.5
163.21976	2.0
167.08719	2.1
169.10100	13.3
171.11652	22.0
173.13246	16.6
175.11275	1.9
175.14865	3.9
181.10153	7.3
183.11697	13.5
185.13327	10.2
187.14839	14.8
189.16460	2.6
193.10118	1.8
194.11028	1.6
195.11638	11.0
197.13339	10.3
199.14842	14.8
201.16397	6.4
207.11757	6.4
209.13274	11.4
211.14859	10.7
213.16382	12.0
215.18010	2.8
221.13350	6.5
223.14871	14.9
225.16441	10.7
227.18069	8.6
233.13222	2.0
235.14822	3.8
237.16405	26.0
239.17859	11.0
241.19502	2.6
249.16457	6.7
251.17903	11.0
252.18828	1.8
253.19563	8.7
255.21255	2.4
263.18054	6.1
265.19611	6.5
267.21277	2.1
275.18036	2.8
277.16776	1.7
277.19598	10.5
279.21133	7.6
290.20245	1.8
291.21158	8.5
292.21786	15.2
293.22751	2.9
297.22067	1.9
303.21204	2.6
305.22864	2.6
317.22809	2.4
319.24249	3.0
331.24268	3.1
345.25714	2.7
361.28931	3.6
401.31992	55.4
419.33115	44.4
461.34119	46.1
479.35330	33.4
563.37640	6.8
581.38446	62.2
641.40558	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45497	1.5
53.03950	1.6
55.05523	4.3
57.03434	4.1
59.54324	1.8
61.02931	3.4
65.57845	1.8
67.05499	13.5
69.03433	18.6
69.07069	18.4
70.05715	1.6
71.04991	2.8
73.02912	2.1
73.22300	1.7
79.05495	8.0
81.03432	7.6
81.07062	15.2
81.97846	1.6
83.08610	2.1
85.02908	32.6
87.04491	3.9
91.03936	2.4
91.05457	2.4
92.21461	2.7
93.07053	16.0
95.08618	36.1
97.02889	14.5
97.03432	1.9
97.06510	1.7
99.04427	1.9
101.31539	1.8
105.07033	20.8
107.08587	28.8
109.02892	7.5
109.10168	27.7
111.11790	1.6
112.47071	1.7
117.07008	2.6
119.08580	33.3
121.10152	18.9
123.11744	3.4
127.03907	8.1
131.08540	13.0
133.10107	15.5
135.11720	11.7
143.08559	11.2
145.05000	2.7
145.10112	30.5
147.11668	15.8
149.13263	8.4
151.11224	2.4
155.08514	3.1
157.10149	21.4
158.10832	1.9
159.11679	23.3
161.13283	13.7
165.33008	1.6
169.10136	14.9
171.11711	20.7
173.13213	12.9
175.14862	9.0
181.10156	3.5
183.11748	9.6
185.13333	13.4
187.14838	9.9
189.16389	2.6
194.11058	2.1
195.11723	16.7
197.13211	13.6
199.14862	11.1
201.16422	8.7
207.11711	4.0
208.12563	3.0
209.13341	9.7
210.14076	3.1
211.14870	11.5
213.16425	7.3
215.17972	2.5
221.13292	8.2
222.14088	2.1
223.14870	13.2
225.16475	8.2
227.18016	9.1
235.14888	8.0
237.16373	19.6
239.17953	8.8
241.19618	7.7
249.16365	2.4
251.17961	9.2
253.19612	8.3
263.18057	3.9
265.19629	9.2
267.21045	3.3
277.19492	16.4
278.20178	1.9
279.21140	7.4
291.21204	12.1
292.21936	11.5
293.22659	8.5
295.20898	1.9
305.22672	4.2
317.22610	3.2
319.24353	3.2
332.25095	2.1
345.25684	2.1
351.23865	1.8
386.66302	2.1
401.31995	56.5
403.34158	2.0
419.33096	39.3
446.65222	1.9
461.34195	48.6
474.22672	2.2
479.35349	29.5
563.37366	8.7
581.29132	2.8
581.38361	64.3
623.39984	4.3
641.40515	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.30743	1.7
63.06480	1.9
70.06591	12.9
70.31316	1.9
72.08157	4.1
84.04487	2.9
84.08135	8.8
85.02902	2.9
86.09698	10.0
91.05493	8.1
103.05504	3.7
105.07034	15.6
115.05482	3.2
119.04932	28.7
120.08109	3.1
120.37170	2.1
129.10225	2.6
131.04933	58.7
133.02859	98.1
133.06490	34.0
137.05988	29.4
137.50568	2.1
141.19281	2.6
143.05974	2.8
147.04430	7.9
151.07545	28.5
161.04669	4.7
161.05972	100.0
163.07538	13.1
165.05458	27.6
167.26250	2.4
177.05452	3.9
179.06996	17.9
187.07544	10.3
189.14725	2.3
222.27147	2.2
251.10780	3.8
311.12775	55.2
341.13858	2.6
455.77643	2.7
627.13184	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	642.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05270	0.5
55.05515	0.8
57.07080	1.5
61.61721	0.7
67.05492	1.4
68.19384	0.6
69.03428	3.1
71.08637	1.2
79.05490	4.0
81.07061	3.2
83.04984	3.1
83.08614	1.0
85.10178	0.9
93.07056	0.9
95.04990	0.7
95.08616	1.2
95.32121	0.6
97.10180	0.8
99.32278	0.7
99.51633	0.6
103.05460	2.9
105.07043	100.0
111.04444	3.6
113.67645	0.8
119.04953	3.2
121.06472	1.3
129.05478	4.5
138.16136	0.6
147.89836	0.7
181.24889	0.7
227.12779	2.6
385.29538	2.8
414.24197	0.7
474.89825	0.7
494.86926	0.8
505.34879	3.1
509.41678	0.8
589.47437	1.4
625.41077	17.4
668.99146	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	642.494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.3
57.07093	8.4
58.21858	0.9
66.77088	0.9
67.05507	2.3
67.17551	1.0
69.07069	2.4
70.28880	1.1
71.08636	8.9
81.07056	9.7
83.08634	4.6
83.75170	0.9
85.10189	6.7
88.46198	0.9
95.08602	10.4
107.08579	1.6
109.06537	1.6
109.10160	5.3
111.04441	15.2
115.44971	1.1
119.08642	1.2
121.10143	2.5
123.11732	1.8
125.06012	1.5
131.08562	1.4
133.10136	2.3
135.11707	2.2
137.05986	100.0
137.13234	2.6
147.11665	4.6
149.09592	4.3
151.07590	1.4
157.10274	1.2
161.09618	6.5
161.13257	1.6
163.11183	2.5
165.09161	1.8
175.11191	2.5
179.10690	2.0
181.12259	1.3
189.12715	1.1
203.18040	8.8
213.16397	2.2
221.19051	1.8
231.17416	11.0
241.15883	1.4
249.18518	4.0
251.67741	1.3
257.24997	1.3
277.17957	19.4
295.19049	2.1
313.27368	19.5
351.21817	10.9
418.00961	1.1
589.44641	68.2
607.46234	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	642.5308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	2.6
55.05522	14.4
57.03440	12.1
57.06826	2.4
57.07090	50.1
67.05182	3.3
67.05518	60.4
69.07077	25.5
71.08636	50.3
79.05499	20.5
81.07070	51.1
83.04999	5.4
83.08627	25.5
85.06552	4.6
85.10187	25.6
91.05492	15.2
93.07056	27.7
95.04951	5.1
95.08608	37.5
97.06520	3.9
97.10164	4.8
103.04337	2.5
105.07049	8.0
107.08590	15.3
109.06563	3.0
109.10162	44.9
111.08080	4.5
117.07004	3.3
119.08588	3.4
119.09902	2.4
121.10155	9.8
123.11690	11.1
123.73034	2.5
131.08543	2.9
133.10159	9.0
134.31602	1.8
135.11742	3.7
135.63753	2.2
139.11290	2.3
142.59749	1.9
147.11742	3.7
148.48050	2.4
149.13263	9.1
151.11180	9.1
159.11748	4.0
161.13289	3.2
163.11186	4.2
173.11687	2.9
175.29036	2.2
187.46298	2.0
227.12785	2.5
229.14392	18.7
269.17386	19.9
277.21637	9.4
294.06787	2.4
313.27365	58.4
351.25302	19.9
369.26517	2.4
375.70813	2.4
467.37231	48.6
500.55508	2.4
506.96829	2.8
507.40512	100.0
589.48267	24.9
591.81403	2.6
607.48871	3.7
624.05005	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	642.5302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99566	10.7
53.91067	9.8
55.05507	13.3
56.75595	10.6
57.07078	86.8
67.05510	26.2
67.68239	12.9
69.07072	25.0
71.08606	55.6
74.79472	12.8
75.01490	11.2
81.07056	63.6
83.08634	14.2
85.17528	12.2
86.38628	13.3
93.07056	27.9
95.08611	63.7
97.06557	23.1
100.10401	13.7
109.10168	17.9
109.99329	12.0
121.10172	24.2
126.60929	13.9
146.74088	13.9
206.44829	13.0
210.33289	14.5
295.22623	23.4
313.27271	100.0
351.24866	19.9
369.26410	20.1
415.59598	15.5
456.98877	14.5
479.00830	17.7
589.47821	16.2
607.49139	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	643.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
60.60939	0.5
68.93803	0.6
80.11772	0.5
83.67971	0.6
85.92656	0.5
88.72202	0.5
88.85697	0.5
89.76827	0.7
101.62960	0.6
320.09283	3.3
324.88470	0.6
397.05511	0.6
455.17337	9.4
469.19006	1.0
482.16006	3.1
483.16611	21.1
487.16599	0.6
495.16907	0.9
496.17264	1.0
499.16183	3.7
509.14893	1.0
510.18887	1.1
511.16019	2.4
513.17926	0.9
523.15973	4.2
524.17017	1.0
526.14911	0.6
527.15601	47.4
537.17480	2.8
538.18512	2.1
539.19257	48.0
555.18262	0.9
557.20618	2.0
615.20709	8.3
643.20325	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69911	0.5
62.94667	0.5
67.05505	1.2
70.29517	0.5
74.91088	0.5
79.05502	0.8
79.51935	0.5
81.96650	0.5
95.08593	1.1
97.53373	0.6
105.07024	0.6
109.10209	0.8
123.62101	0.6
212.02223	0.6
212.81067	0.6
350.22836	0.6
355.18271	0.7
427.17584	0.7
437.86044	0.6
455.17227	11.7
462.47388	0.8
481.15045	1.0
482.16193	3.7
483.16721	18.5
495.16422	1.2
498.15744	0.7
499.16455	4.1
509.14459	1.1
511.16238	2.6
523.16107	5.3
524.17212	1.1
527.15619	42.5
537.17999	3.4
538.18451	0.8
539.19293	46.7
541.17267	0.9
555.18127	0.8
557.20428	1.2
611.39587	0.6
615.20764	8.7
625.44519	2.3
643.20386	100.0
654.65900	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	643.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13490	0.9
55.05507	1.0
63.05925	1.0
67.05505	2.0
67.21439	1.0
69.07056	1.6
70.10851	1.0
79.05508	1.8
79.92973	1.0
81.07059	1.4
85.30842	1.3
89.29085	1.1
90.13738	1.3
93.07020	2.3
95.08610	2.8
104.31753	1.1
107.08621	1.8
112.28776	1.1
115.48093	1.3
131.40715	1.2
145.10135	1.8
158.20473	1.2
273.18234	1.5
289.63898	1.6
468.59134	1.3
484.22144	5.5
510.20425	2.5
512.21954	2.3
513.17627	1.4
540.21155	4.9
550.19904	5.9
555.22821	1.3
584.20728	1.5
601.25122	1.7
625.44513	6.0
643.21533	100.0
643.44769	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	643.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45016	0.7
57.61042	0.7
63.28595	0.7
67.16703	0.7
68.68180	0.8
77.16335	0.8
78.16429	0.8
82.28917	0.7
99.90819	0.7
125.46957	0.8
160.32594	0.8
180.76213	0.8
428.18683	1.4
439.13858	8.3
440.18909	1.1
441.19257	35.3
453.15134	7.2
454.16516	3.4
467.16995	20.6
468.17953	18.0
469.18567	15.0
481.14447	9.3
482.15955	4.1
495.16617	1.9
496.17249	22.3
497.18155	1.6
499.19946	0.9
509.18173	1.7
512.20398	1.4
514.22449	1.6
523.19788	3.2
527.23315	1.9
555.22406	24.0
568.19574	1.0
583.21912	67.3
615.24323	4.9
643.23962	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66125	0.3
60.77882	0.3
81.06989	0.5
92.21597	0.6
123.89251	0.3
201.92424	0.3
237.07314	0.3
320.09137	0.6
441.19302	3.0
442.20026	2.9
447.22546	0.3
455.20984	0.4
468.17911	1.7
469.18695	53.0
472.17303	1.6
473.18137	1.3
478.19769	0.5
479.21017	0.7
484.13776	1.4
485.18149	1.7
486.18756	1.5
495.20313	0.5
496.17618	0.5
497.18198	4.9
499.19897	0.6
501.20880	0.4
505.18802	2.3
506.19247	0.6
509.17966	2.7
513.17706	66.4
523.19348	3.3
524.20245	1.9
528.23669	0.8
531.18976	0.4
534.19183	0.8
537.21124	0.6
541.21008	0.5
555.22266	1.6
565.20996	2.7
572.22760	3.1
600.22223	4.3
615.24548	14.8
643.24023	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	643.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.6
55.65070	0.7
59.94592	0.7
64.67719	0.8
67.05503	3.6
67.82634	0.7
69.07083	0.9
71.08599	0.8
79.05466	1.0
79.77209	0.6
81.03426	0.9
81.07061	3.9
92.20924	1.0
93.07055	1.5
94.89285	0.8
95.08615	1.5
97.10165	1.7
109.10147	3.1
119.08597	0.8
122.56588	0.9
131.08621	0.9
133.10168	1.1
157.28410	0.8
194.98593	0.9
268.65982	0.8
274.92322	0.9
277.21616	1.3
314.85904	0.9
349.23868	0.9
625.44434	7.2
643.25269	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	643.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68200	0.4
54.34343	0.5
81.07061	1.4
81.44332	0.5
157.23196	0.6
260.28918	0.6
301.15201	0.7
387.13217	0.7
441.19653	0.8
468.16815	8.1
469.18698	3.1
482.18277	27.2
496.19058	2.7
497.20508	7.4
510.21353	1.0
510.59772	0.7
524.22748	0.7
552.22614	0.9
583.22357	3.5
584.25067	100.0
609.28052	0.7
643.26105	34.8
643.44647	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	643.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	3.7
80.26312	2.9
84.28863	3.9
103.14724	3.7
105.07027	2.9
107.08617	4.3
203.05272	3.5
223.91068	3.8
295.21008	4.3
409.20126	4.4
410.20892	3.7
441.23987	3.6
443.21817	11.2
451.20767	4.7
470.11694	24.3
481.22388	5.0
484.12982	7.8
496.24152	3.9
497.25262	13.8
511.27390	7.6
512.27069	5.1
539.26752	16.9
592.77673	3.6
599.28662	100.0
625.26196	5.7
643.15900	25.6
643.27283	99.4
643.44452	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	643.276
Annotation	Unknow
Peak:m/z	Relative Intensity
61.12081	1.1
89.43739	0.9
115.78330	1.0
119.57105	1.2
173.87428	1.0
174.09225	5.9
174.63016	1.0
204.68661	1.2
221.50758	1.1
225.10269	1.3
227.11818	2.0
239.11678	1.4
243.11296	14.2
260.96042	1.0
265.09546	1.2
267.11243	1.0
267.48981	1.0
277.09918	4.5
319.10843	8.8
350.15167	2.2
351.13531	1.5
356.14142	1.2
358.11896	1.1
368.13934	1.9
370.15768	5.6
371.16333	1.4
372.13440	1.2
382.15848	1.2
384.17264	1.8
386.15201	1.5
388.16608	6.9
396.13397	2.0
398.15186	1.8
420.19272	5.4
460.23050	1.4
463.17435	2.0
464.21933	1.3
468.21619	1.3
476.18814	1.4
477.19238	4.0
478.20236	1.9
479.20822	2.3
487.21387	5.0
488.20099	1.9
490.20090	4.2
491.20590	5.6
492.21536	5.4
493.22504	1.3
501.19403	1.9
505.22873	8.6
506.20010	2.1
507.20605	1.5
515.20905	8.5
517.18982	1.7
518.19745	4.4
519.04901	1.3
519.20349	6.7
533.21747	10.8
543.20691	5.5
549.25269	1.5
561.21613	3.8
565.24640	4.5
575.23004	4.7
583.25580	9.2
593.23956	98.4
625.26929	4.0
643.27722	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73583	0.5
52.76124	0.4
59.35833	0.5
102.71751	0.6
114.25169	0.5
119.78165	0.5
220.25882	0.5
441.22946	0.7
449.19653	0.9
455.24628	0.8
459.22052	2.4
461.19897	1.0
462.20142	1.2
467.24908	0.6
477.22763	6.1
479.24365	2.8
489.18082	0.6
489.22949	3.7
491.24481	0.7
493.22580	2.6
494.23242	1.1
495.23883	2.6
497.25693	0.8
502.30200	0.6
505.22485	2.2
506.23239	3.2
507.23929	0.6
509.21912	2.8
510.22571	4.9
511.23560	2.3
519.23938	8.8
520.21277	1.8
521.21680	0.8
523.23376	2.8
525.24915	3.1
531.23743	0.7
533.21771	5.1
534.22778	2.8
535.24164	0.6
536.24518	0.8
537.24847	3.9
547.23083	0.9
549.25360	6.1
555.25854	3.5
562.21887	0.6
565.24506	12.9
578.49280	0.6
583.25494	2.6
584.26312	4.6
593.23859	5.3
611.13501	0.6
625.26587	8.7
643.27661	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59169	0.3
58.51926	0.4
66.67567	0.4
87.48679	0.5
92.20959	0.5
92.21496	0.5
121.10160	0.6
193.90543	0.6
226.91330	0.5
237.13734	0.6
293.31000	0.5
366.94342	0.5
441.23145	0.7
449.19485	0.6
451.20963	0.8
459.21756	1.8
461.19565	1.0
462.20480	0.9
466.21683	0.5
473.19693	0.8
477.23019	8.2
479.24313	2.9
489.22778	3.4
493.22577	2.6
495.24100	1.0
505.22479	1.1
506.23294	3.7
509.21960	3.1
510.22833	4.3
511.23660	2.3
519.24011	5.7
520.21527	1.1
521.25391	0.5
523.23669	3.6
524.24329	1.7
525.25165	0.8
527.15649	0.6
531.23688	0.7
533.21930	5.3
534.22742	2.0
537.24963	4.0
549.25220	4.7
551.22888	3.0
552.23999	0.6
553.24475	1.0
555.26398	4.2
565.24554	10.3
575.22882	1.2
583.25665	2.7
584.26648	5.2
593.23944	4.7
597.26593	1.9
611.24310	0.9
625.26794	4.7
643.27637	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00760	0.8
68.07777	0.8
68.73875	1.0
70.92836	0.7
74.22567	0.8
77.20733	0.8
82.61339	0.7
101.79772	1.0
102.14719	0.8
148.18741	0.8
156.81909	0.9
181.56400	0.8
458.21024	1.5
466.97714	1.0
477.18976	1.5
486.20581	1.8
487.17731	1.1
491.24884	1.2
501.23114	9.3
504.21695	1.6
505.22348	1.7
509.21677	1.2
509.25897	0.8
511.27228	1.1
516.21515	4.1
519.23773	4.3
520.21259	4.0
523.23590	1.7
528.27185	1.2
531.24017	4.3
532.21259	4.3
533.22247	1.4
537.24976	3.4
539.18689	1.0
547.23602	4.7
549.25055	5.4
555.23199	1.5
565.24597	27.8
575.22675	1.9
583.25500	1.5
593.23975	5.2
625.26465	17.0
643.27643	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00662	2.2
53.85489	2.5
55.03236	2.5
55.05517	3.2
58.89637	2.4
60.48874	3.0
60.71573	2.8
69.07072	5.6
73.06053	2.5
81.07075	27.7
85.02907	14.6
86.09712	4.6
93.07039	14.0
95.04964	3.5
95.08614	39.4
105.07016	24.1
107.08596	26.0
109.06586	3.5
109.10176	45.0
113.26231	2.7
119.08555	29.9
121.06518	7.2
121.10126	24.2
123.11707	3.8
127.03935	4.0
131.08546	13.2
133.10136	50.2
135.11700	24.4
143.08580	6.3
145.10152	36.6
147.11699	37.2
149.13257	22.9
157.10121	16.8
159.11670	32.3
161.13274	26.1
163.14839	6.6
167.07120	4.8
167.08546	3.2
169.10086	4.1
170.11081	3.2
171.11703	29.6
173.09692	4.2
173.13239	44.9
175.11240	28.9
175.14798	4.4
177.16429	5.2
183.11717	14.2
185.13269	18.2
187.14769	23.5
189.12759	6.0
189.16394	100.0
191.17908	4.0
195.11710	5.6
197.13199	16.5
199.11310	4.2
199.14796	15.7
201.12787	12.5
201.16356	27.9
203.14270	4.9
203.17950	13.7
209.13179	4.5
213.16350	6.0
215.14362	12.7
221.11620	5.9
235.13289	13.7
247.13321	3.4
263.45285	3.3
273.14789	3.9
365.19659	14.0
437.30408	5.1
446.27521	3.6
449.30408	24.4
455.31491	3.8
467.31625	79.7
509.89569	3.5
607.32532	6.4
613.33661	25.7
625.33295	27.3
643.34875	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	643.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73268	2.5
53.93872	2.9
55.05525	3.1
58.09269	3.0
62.74132	2.7
66.78993	3.0
67.05513	4.0
73.02924	3.0
79.05483	3.6
81.07059	23.3
83.08605	2.9
85.02901	12.8
93.07037	19.5
94.48725	2.8
95.01334	5.1
95.08621	38.1
105.07027	14.6
107.08602	30.0
109.10177	24.3
119.08589	27.9
121.10130	30.5
123.11727	6.2
131.08569	15.6
133.10138	30.3
135.11707	20.9
141.01859	5.3
145.10097	26.8
146.65346	3.5
147.11664	24.6
149.13275	16.5
157.10159	15.6
159.02901	13.4
159.08067	4.0
159.11702	37.6
161.09624	12.5
161.13263	21.4
169.10060	5.5
171.11691	18.6
173.09612	7.2
173.13220	42.6
175.14818	5.9
177.16451	12.1
182.20705	3.6
183.11688	16.3
185.13263	14.8
187.11185	13.9
187.14772	28.9
189.09143	25.3
189.12621	3.5
189.16409	22.0
197.13295	19.4
199.11160	12.6
199.14822	17.2
201.09026	3.9
201.12746	15.0
201.16402	21.0
203.10643	22.4
207.10161	15.0
213.12814	4.3
213.16403	7.9
215.10674	43.6
215.14302	20.1
215.17813	3.7
217.12169	4.2
221.11761	13.5
229.19373	4.3
233.11710	34.5
243.13782	43.6
247.20549	4.3
261.14841	50.4
267.20996	4.2
295.16925	5.5
337.93695	3.7
365.19519	3.8
409.27527	4.7
431.29620	14.7
437.30209	7.6
449.30527	100.0
467.31491	64.6
607.32306	5.8
625.33606	44.5
643.35162	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	643.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
63.00635	3.1
67.05523	6.1
69.07056	4.3
78.47781	2.9
79.05509	3.7
79.29268	3.2
81.07071	14.8
85.02916	6.4
91.05492	5.3
93.07057	21.9
95.08616	40.2
105.07039	16.6
107.08605	26.7
109.06516	5.4
109.10175	29.5
111.08067	5.3
115.42841	3.6
119.08588	36.1
121.06532	4.2
121.10143	19.1
123.11729	7.0
131.08577	20.9
133.10179	32.4
135.11700	24.2
145.10124	34.3
147.11700	22.1
149.13280	20.5
157.10106	15.3
159.02896	21.4
159.11702	51.1
161.09630	15.4
161.13216	25.7
167.06973	4.4
169.10083	4.8
171.11693	18.2
173.09621	7.2
173.13266	35.9
175.11166	6.9
175.14853	18.6
177.16428	4.2
181.04968	5.0
183.11702	14.1
185.13229	8.2
187.11197	18.5
187.14816	34.2
189.09100	19.9
189.16388	29.2
191.18138	4.5
197.13258	25.6
199.11194	15.3
199.14841	15.5
201.09103	6.0
201.12759	15.0
201.16437	18.1
203.10687	18.8
207.10197	7.3
209.13338	5.5
211.14769	6.2
215.10722	58.8
215.14330	21.3
221.11737	7.2
225.16243	6.7
227.52991	4.4
229.19498	8.4
233.11723	51.4
241.19414	4.2
243.13753	60.2
255.13644	4.6
261.14810	53.2
283.17056	4.0
409.27078	8.8
437.30844	6.8
449.30493	100.0
467.31424	66.4
607.32343	7.8
625.33783	52.5
640.37042	4.2
643.35162	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	643.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	5.1
58.06181	1.7
61.02929	4.0
64.97274	1.5
67.05503	13.8
69.03440	23.5
69.07084	17.4
69.07395	1.8
79.05508	8.0
81.03433	3.2
81.07059	24.5
83.08636	3.4
85.02917	37.1
87.04476	4.6
91.03973	2.5
91.05500	4.3
92.20948	2.4
93.07042	22.0
95.08611	49.9
97.02898	20.8
97.53249	2.1
99.04413	2.4
105.07043	23.1
107.08606	26.2
109.02882	4.7
109.10159	34.7
117.07003	2.4
119.08584	31.5
121.10139	23.7
123.08056	2.1
123.11706	5.0
127.03940	14.6
131.08572	13.6
133.10124	26.7
135.11699	9.7
138.14252	1.9
143.08568	12.0
145.04999	2.7
145.10143	33.7
147.11711	22.9
149.13300	4.0
155.08592	9.2
157.10124	18.7
159.11693	24.2
161.13252	22.0
169.10120	16.8
171.11717	25.7
173.13255	15.6
175.14819	8.6
183.11681	14.6
185.13217	17.6
187.14845	11.4
195.11644	7.6
197.13318	16.8
198.40721	2.3
199.14822	13.4
201.16353	10.0
208.42641	2.4
209.13200	8.7
211.14856	11.4
213.16379	7.9
220.54570	2.5
221.13297	2.3
223.14854	9.6
225.16348	16.9
227.17960	3.9
235.14928	2.5
237.16440	20.6
239.17963	39.7
243.20966	2.7
249.16277	3.5
251.17894	9.4
253.19527	14.7
255.21120	4.1
263.17847	2.2
265.19461	8.9
267.21054	3.2
277.19543	8.1
279.21078	8.6
281.22726	2.6
291.21487	2.7
292.21786	16.6
293.22473	10.6
321.25610	2.9
403.33582	93.5
421.34665	30.6
463.35754	72.4
481.36621	36.4
527.52618	2.0
565.38483	4.1
583.39960	73.3
625.41541	3.8
643.26294	3.1
643.42102	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97616	0.5
57.03424	0.7
57.07095	1.6
58.51252	0.6
67.05508	3.7
69.07061	0.8
71.08624	4.6
75.31589	0.7
81.07067	2.9
83.08647	0.7
85.10189	1.2
91.05523	0.7
93.07059	0.9
95.08617	3.4
97.10139	2.2
109.10155	1.5
113.22694	0.7
115.92617	0.7
125.09618	1.0
128.43509	0.8
147.11565	0.8
177.92125	0.9
227.12878	3.3
228.13223	0.9
278.22043	0.8
313.27426	1.6
314.27670	1.1
315.46582	0.8
331.19034	3.3
352.25723	0.9
387.21451	1.2
411.34763	0.7
468.38098	0.8
590.48743	2.9
643.45428	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	644.247
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01143	0.6
56.58102	0.7
67.84173	0.6
74.30340	0.7
96.15350	0.7
115.09961	0.6
120.18246	0.9
121.26358	0.6
155.35808	0.7
168.90147	0.8
336.12250	1.0
442.19940	1.3
443.20340	1.0
455.21005	1.1
469.15210	7.1
470.19067	13.0
483.16623	24.5
497.18375	4.5
498.18991	18.0
507.20703	1.5
513.17670	0.9
514.17902	11.5
567.22302	4.8
579.25470	0.9
585.23474	100.0
616.24500	1.6
644.24713	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	644.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
60.75861	0.3
67.84229	0.3
67.85448	0.3
76.06087	0.3
81.07078	0.5
87.04475	0.5
89.06027	4.3
95.05141	0.3
95.08613	0.5
113.23841	0.3
133.08624	1.5
133.93597	0.3
139.09100	0.4
140.84679	0.4
149.09021	0.4
189.30423	0.4
337.29837	0.4
413.16290	0.7
414.16919	2.4
427.17618	1.8
428.18326	6.1
441.19260	3.8
442.20065	11.3
443.20786	5.4
455.16257	0.6
455.21024	2.3
456.21213	0.4
459.27957	2.5
466.20435	0.5
469.18845	26.3
470.18973	3.4
473.18365	2.2
474.19135	0.5
480.21710	0.5
481.18280	2.7
483.15952	5.4
495.16830	2.4
496.21786	3.8
497.18179	42.0
498.18753	0.7
500.19293	0.5
507.21063	0.4
509.18362	3.2
510.18945	2.4
511.19815	2.0
514.18066	2.2
515.19989	0.5
521.18268	1.6
523.19446	0.6
524.20435	0.7
525.21381	56.1
528.16132	0.6
528.23724	0.5
538.18835	0.8
539.19281	5.7
541.21088	0.7
542.18231	0.6
553.21533	0.5
555.22107	0.6
556.23114	0.5
557.23993	57.7
558.23108	0.5
584.22668	21.5
585.23425	9.2
601.23370	0.5
612.22296	0.8
629.22522	0.8
644.24805	100.0
644.48181	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	644.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14972	0.5
58.10089	0.7
61.02929	1.1
64.13505	0.5
69.03417	1.5
70.06596	0.6
72.08165	0.7
81.03401	1.1
81.07030	0.8
82.95016	0.6
84.08147	1.2
85.02913	12.1
86.09725	0.7
92.21011	0.9
95.04966	0.7
97.02904	3.4
98.07383	0.5
99.04475	0.6
109.02850	0.7
114.22848	0.6
123.04424	91.4
127.03937	2.9
133.06499	4.6
135.61702	0.7
147.04417	4.5
149.05956	3.7
152.04659	1.1
153.39145	0.7
161.05963	6.7
165.05452	3.3
167.07027	100.0
181.08588	4.8
189.05457	3.0
193.08546	4.8
231.06560	0.8
231.52309	0.6
303.12253	48.9
327.12231	2.5
345.12833	0.8
369.13266	1.2
411.14209	0.7
429.15244	4.5
465.17508	1.2
643.85419	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	644.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.9
57.03439	1.2
57.16477	0.6
61.02923	6.2
61.62162	0.7
67.05508	3.9
69.07072	3.1
71.05013	1.0
73.02912	1.3
79.05501	1.2
80.07916	0.7
80.08384	0.8
81.01978	0.8
81.07062	21.3
83.04995	1.1
83.08627	3.5
84.08108	0.8
85.02901	5.9
85.06557	1.1
86.09673	1.4
91.03947	7.1
91.05493	3.9
91.95019	0.9
92.21517	1.8
93.07050	1.6
95.08608	4.0
97.02908	4.5
97.06538	3.3
99.08109	3.5
105.07034	11.1
107.08598	5.8
107.90541	0.8
119.08580	8.4
120.08030	0.8
120.08894	0.9
121.10146	8.7
123.11714	14.2
127.03940	3.1
127.07545	1.8
130.30775	0.9
137.13260	1.7
145.04990	1.7
147.11694	58.6
147.12874	1.9
157.10085	1.5
163.06058	1.4
165.12753	31.5
175.11192	1.2
183.13803	3.3
193.12256	1.7
229.14368	4.8
267.13086	1.0
267.15927	29.5
285.16968	100.0
333.17007	0.9
353.80759	0.8
447.22397	12.1
459.09167	1.0
463.35239	0.9
506.93991	0.9
609.27466	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	644.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07075	2.3
58.06600	0.4
59.92346	0.3
62.06090	3.5
67.09588	0.3
71.08632	1.5
71.40540	0.3
77.24180	0.3
81.30822	0.3
85.10172	0.3
88.07616	4.8
89.84540	0.3
93.66890	0.3
120.30089	0.4
179.86630	0.4
212.23729	4.0
230.24779	100.0
242.24806	3.9
319.98416	0.4
320.09119	2.5
325.46515	0.4
336.12262	2.3
344.05859	0.4
395.49921	0.4
552.60638	0.4
644.31531	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20474	0.7
57.07069	1.4
62.06091	4.4
65.26782	0.7
67.05530	1.0
71.08620	1.0
80.83486	0.7
88.07628	9.8
97.14043	0.7
119.69558	0.8
212.23759	4.2
230.24776	100.0
241.66748	0.7
242.24738	8.7
290.27084	1.0
292.09637	0.8
320.09186	13.0
321.09784	1.4
336.12338	6.5
530.09369	0.8
538.57568	0.8
644.31897	4.9
645.11823	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	644.4969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90493	0.5
61.81862	0.6
71.21373	0.5
75.37550	0.6
108.59203	0.6
115.55995	0.7
118.39622	0.6
144.89523	0.6
146.43585	0.6
193.13177	3.1
205.21048	0.7
205.41341	0.6
210.11096	2.8
301.86713	0.7
363.22513	61.8
415.17242	0.6
457.37625	38.4
471.39297	2.4
585.23193	0.8
598.58075	0.7
644.49713	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.219
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91320	0.6
74.00883	0.7
89.50471	0.6
167.08536	0.7
175.86200	0.7
243.93295	0.7
264.55215	0.8
268.14236	0.7
441.19205	3.8
452.18445	3.1
464.15237	0.8
465.19000	3.0
466.16086	3.8
467.16769	1.4
469.19077	0.8
471.19659	1.0
478.16473	1.0
480.17850	7.1
483.20844	2.2
483.93842	0.8
484.16983	3.2
492.18109	1.0
493.19098	4.9
494.15140	7.2
495.16473	8.0
496.17514	1.3
497.17865	2.9
498.15201	3.0
506.15976	1.5
508.17578	8.8
509.18375	1.0
510.19662	4.9
511.20053	5.2
512.16504	4.2
521.18237	11.8
522.14789	12.5
524.17285	0.8
525.17651	6.1
526.15021	1.4
533.18372	1.4
535.15302	0.9
538.18561	2.4
539.19208	9.2
540.19751	8.3
549.17572	2.8
551.19049	1.3
567.18768	36.0
585.19403	7.9
586.19128	0.9
595.17755	7.6
599.21381	3.0
627.20886	100.0
645.21747	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	645.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48436	0.5
59.59798	0.5
85.92060	0.6
93.29987	0.6
109.11691	0.5
140.98524	1.0
155.00014	0.7
169.01654	0.8
174.99034	2.6
181.01607	0.8
185.01100	1.0
189.00543	4.3
199.02635	1.3
205.05283	0.8
267.23383	0.7
303.43500	0.7
330.14050	0.8
333.13641	12.9
351.14505	5.6
484.17722	0.8
485.18222	2.8
494.19470	0.7
495.20334	3.9
496.21085	0.8
508.17740	1.3
509.18350	2.5
511.19904	0.7
512.16486	1.8
513.21375	0.9
514.22253	1.0
515.15924	2.6
520.18024	0.8
521.18164	3.4
522.18896	1.2
523.19763	47.2
525.17749	14.7
527.18909	0.9
529.17352	3.1
539.19330	1.3
540.19885	1.0
541.20874	29.3
542.20172	0.8
543.18512	0.8
557.18018	0.6
558.18359	1.3
566.17865	11.5
567.18512	0.8
584.18372	0.9
602.20056	4.4
617.22485	5.3
627.20740	0.7
645.21930	100.0
645.80554	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	645.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59200	0.5
54.22060	0.5
64.26279	0.5
65.98326	0.5
71.10217	0.5
78.13011	0.5
78.39529	0.6
79.78638	0.5
81.11963	0.5
99.53786	0.5
107.08644	0.5
118.28201	0.5
121.51687	0.5
126.52180	0.5
141.75224	0.6
150.21449	0.7
218.15994	0.5
252.55031	0.6
277.38989	0.5
286.29184	0.6
286.37668	0.7
440.18256	1.1
454.20010	1.1
455.21008	4.9
484.17270	2.3
485.17813	1.2
495.20242	1.4
497.19543	0.7
498.17206	0.8
499.19785	97.0
500.20636	0.8
508.17191	0.9
510.15610	0.6
512.18707	1.0
513.21130	1.2
514.22021	6.3
523.19653	18.8
524.18823	0.7
525.17926	4.7
526.17554	0.6
529.16766	4.4
541.20593	5.7
543.18774	14.5
544.19153	1.1
557.20886	0.7
558.21088	100.0
573.22632	0.8
576.21985	1.3
584.20282	0.7
585.20831	5.2
588.18237	1.2
601.22693	1.2
603.20819	0.6
617.22479	11.4
627.21039	10.0
635.23645	3.9
645.22095	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	645.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40350	0.6
51.70151	0.6
55.05525	0.8
55.29770	0.7
57.75618	0.7
67.05515	0.9
69.48636	0.7
75.04469	1.2
81.07089	1.2
83.08633	1.3
89.06046	4.4
93.07047	1.3
95.08612	0.9
99.47813	0.8
105.07019	0.9
109.10155	0.8
119.08617	0.9
121.10180	0.8
133.10236	0.9
147.11748	0.8
197.13495	0.9
220.13167	0.8
374.80655	0.8
459.28168	1.4
468.17700	1.3
512.17859	1.0
522.20227	1.7
523.19952	7.8
541.20502	1.3
547.23352	1.1
551.20441	18.0
569.21661	1.7
595.19666	1.0
601.23822	1.8
613.18878	7.3
627.22089	6.3
631.19647	1.0
645.23199	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	645.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70383	1.0
70.06597	1.3
70.50607	0.9
75.82670	0.8
83.62161	0.7
84.04517	1.1
84.08143	1.1
86.09675	1.3
100.79320	0.9
129.10252	1.1
147.04448	1.0
182.88184	1.2
231.07671	5.4
233.13979	4.1
234.99033	1.8
248.20575	0.9
259.11893	10.9
268.71362	1.0
277.12939	95.5
284.11340	3.3
302.12442	53.8
319.15115	100.0
565.34918	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	645.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14170	1.0
52.88432	1.1
58.84787	1.1
77.08132	1.1
96.57953	1.2
104.58007	1.6
108.94112	1.2
114.87326	1.3
120.35078	1.2
247.81422	1.4
394.59204	1.4
415.17130	1.5
429.18689	1.8
442.19656	1.8
443.20352	9.5
444.21100	2.4
452.18951	1.4
466.19885	4.9
470.19327	15.6
478.16559	1.6
479.20822	2.8
481.18567	1.8
484.17123	2.7
494.19656	5.4
497.18945	2.0
498.18393	21.6
507.20242	11.7
508.17813	6.3
525.21460	6.9
526.21661	32.8
535.19501	2.0
539.23218	1.6
540.19806	1.9
557.24219	1.8
558.24390	32.7
567.13971	2.2
567.22382	44.1
585.23151	21.4
586.24036	5.2
627.24518	53.6
645.25189	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39905	0.6
58.07828	0.7
66.43005	0.7
67.05506	0.8
75.04479	3.2
89.06084	0.8
118.12292	0.7
121.10115	0.8
124.97749	0.8
135.17751	0.7
236.13434	0.7
352.91864	0.7
414.17053	1.3
428.18610	2.7
429.18591	1.7
442.19647	1.8
443.20566	6.1
444.21262	1.4
465.19165	0.9
466.20157	5.2
469.18939	1.5
470.19061	11.2
471.19617	1.4
478.16739	1.6
479.20789	3.1
481.18326	6.0
482.19308	1.5
484.17230	4.0
492.17868	0.9
494.19537	7.1
495.20355	1.5
497.18054	12.1
498.18411	21.9
507.20374	14.2
508.16650	7.2
510.18979	1.1
511.19620	1.1
512.16949	0.9
521.18188	1.2
522.18683	1.3
524.20703	1.5
525.21393	11.7
526.21967	28.8
529.23230	0.8
535.19684	1.2
537.21265	5.0
539.18579	5.7
540.19385	1.7
557.23792	7.5
558.24261	28.0
567.22394	42.0
584.22290	1.3
585.23224	14.0
586.23761	4.2
599.25061	7.1
613.23053	10.7
627.24524	42.9
645.25232	100.0
645.45502	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	645.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85727	0.6
52.70492	0.5
54.26059	0.5
56.96525	0.5
60.94248	0.5
65.46725	0.4
66.35661	0.5
67.84241	0.6
76.30994	0.5
81.45009	0.6
81.58224	0.6
96.85567	0.5
114.99211	0.6
189.96280	0.6
256.37598	0.6
342.55365	0.7
368.08893	0.7
399.54626	0.8
499.21335	2.7
508.18579	1.0
521.19604	1.4
537.22729	3.4
540.21735	0.7
545.25385	1.2
585.24786	11.2
613.23999	1.3
627.26038	2.8
645.26837	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00291	1.0
67.05515	5.1
69.07084	2.2
79.05509	3.0
81.07066	5.2
88.07627	2.7
93.07052	2.5
95.08623	2.8
97.10186	1.6
105.07139	1.3
107.08600	1.6
118.71433	1.3
121.10108	2.0
147.11746	1.4
157.10110	1.5
197.39792	1.4
216.55800	1.3
247.16107	1.2
256.26489	1.5
277.21948	1.3
351.25217	2.2
392.58395	1.4
522.20319	8.4
537.22620	46.7
541.22388	3.0
554.94574	1.5
555.24219	1.4
581.21619	1.5
613.24872	2.2
627.46301	9.9
645.26892	100.0
645.45917	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	645.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52136	0.6
54.97856	0.7
61.29590	0.8
67.61914	0.7
71.65850	0.7
83.20453	0.8
233.13843	0.8
406.26801	0.9
499.21500	3.5
521.19495	3.2
526.19794	1.1
539.20197	1.3
573.25031	1.0
585.24591	8.5
595.23212	1.0
605.28088	1.9
613.24194	1.4
627.25690	1.7
631.68646	0.9
639.39032	1.0
645.26825	100.0
645.44995	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	645.399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94978	0.7
53.00321	0.8
57.07096	0.8
59.05010	0.9
67.05506	4.4
69.03431	18.9
69.07082	1.2
71.05001	4.7
79.05508	3.9
81.07061	14.4
85.02901	0.9
89.73999	0.8
91.05489	1.7
93.07054	5.3
95.08616	9.5
97.02890	31.2
97.06528	1.4
97.10101	0.9
105.07061	4.0
107.08607	5.8
109.10176	10.4
115.03929	21.5
119.08604	5.6
121.10136	38.6
123.11700	10.9
125.06017	7.3
125.09663	1.8
127.11240	1.4
129.06949	1.3
131.08632	1.3
133.10165	3.4
133.46564	0.8
139.11162	8.0
143.08583	1.8
145.10143	5.3
147.11708	2.0
149.09636	4.6
157.10156	3.3
159.11716	1.8
161.13315	1.8
167.10715	3.7
169.10107	1.2
171.11752	4.4
173.13286	1.9
183.11719	3.4
185.13341	5.2
186.90173	0.8
187.14867	1.3
189.12793	1.0
191.25345	0.8
197.13252	4.2
199.14868	1.0
201.12816	1.0
211.14827	1.9
220.32664	0.8
227.17982	1.4
231.17516	1.3
234.05684	0.9
240.56067	1.0
243.17879	0.9
253.19530	8.6
257.18924	1.0
271.20618	3.2
317.63583	0.9
320.09052	6.1
321.09460	6.2
357.04019	0.9
417.31177	1.5
435.32562	8.9
453.33713	5.1
471.34286	1.1
557.35779	1.2
645.40094	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.47
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05981	0.5
57.07082	2.2
58.92739	0.6
67.05515	0.7
69.07059	0.6
71.08634	2.4
81.07084	0.7
95.08635	1.2
97.10217	0.7
109.10144	0.6
158.95116	0.6
220.63777	0.6
247.12936	0.8
303.15625	1.0
313.27405	1.1
333.20325	7.1
389.23019	3.4
559.40045	0.8
569.03082	0.6
645.46991	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93073	0.8
63.23476	0.8
65.53735	0.9
65.88322	1.0
67.05499	4.3
69.03456	1.2
69.07064	1.2
78.58349	0.8
79.05494	1.5
81.07057	5.1
85.02915	4.2
91.05476	1.6
93.07046	1.6
95.08626	2.3
97.02926	1.8
102.59692	1.0
105.07049	1.3
107.08620	2.3
108.38203	1.2
109.10162	28.2
119.08595	5.9
121.06551	1.2
121.10110	2.4
122.92039	1.1
123.04496	1.4
133.10147	4.4
135.08047	1.2
137.09741	1.1
143.08582	1.4
145.10165	2.1
147.11682	1.7
150.12732	1.2
157.10214	1.1
159.11726	1.4
163.07579	5.0
169.10117	1.5
171.11742	4.8
173.09625	1.9
173.13193	1.3
175.11227	1.8
185.09639	2.0
185.13226	1.6
197.13286	1.8
199.11288	3.8
211.11246	1.6
225.12730	1.4
227.14368	1.7
237.16484	1.2
240.57648	1.1
245.15349	2.2
319.20770	1.8
319.95932	1.1
337.21613	1.3
448.32193	6.8
466.33163	10.7
628.38818	5.8
646.39526	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.5037
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74078	2.8
55.05516	16.1
57.03435	23.6
67.05513	84.4
69.07073	23.4
79.05494	58.8
80.69975	3.2
81.07069	97.8
83.08629	18.5
85.06518	5.9
85.87550	3.7
91.05477	39.3
93.07047	85.8
95.04995	3.8
95.08615	71.3
97.06549	4.6
105.07048	48.2
107.08598	54.3
109.10155	28.7
113.39100	4.5
117.07006	5.8
119.08580	53.4
121.10131	42.6
123.11708	5.9
127.40814	4.5
131.08569	24.0
133.10138	23.9
135.11702	21.9
145.10101	17.8
147.11693	23.3
149.13257	9.1
159.11682	23.5
159.41664	4.0
161.13234	9.3
171.11694	5.3
172.54132	3.6
173.13133	3.9
185.13310	8.1
187.14836	7.6
250.46681	4.0
259.20575	20.3
277.21625	17.0
293.21234	5.0
304.76291	4.6
333.24258	21.8
335.25833	100.0
351.25360	45.0
447.61981	4.4
611.46777	70.1
630.74554	4.8
646.47449	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	646.5036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24644	44.0
67.05488	52.4
77.97446	49.8
93.07080	56.2
216.99361	52.2
221.93991	52.1
302.39438	54.8
543.14728	58.8
611.46997	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15163	1.4
58.55887	1.6
59.23737	1.5
64.10387	1.6
64.82539	1.4
69.03438	2.3
70.06590	8.9
74.00680	2.5
84.08171	2.1
85.02924	6.8
86.07199	7.4
86.09710	3.4
87.04491	2.7
90.01263	3.7
92.21532	2.1
93.01022	1.5
97.02901	3.4
112.05090	44.2
113.28502	1.6
115.03954	2.3
116.02823	1.7
126.29552	1.5
130.04999	7.3
142.06123	2.9
144.02251	16.0
165.04031	16.4
170.05641	8.6
177.03284	9.2
178.01067	7.2
204.04460	2.4
219.05472	32.2
238.59338	1.9
278.09891	21.7
283.68466	1.9
353.13257	9.3
489.68289	1.8
515.18182	2.8
647.22528	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72403	0.3
73.09503	0.4
105.18974	0.4
118.85912	0.4
138.48672	0.4
185.22397	0.5
270.69574	0.4
351.22751	0.9
429.20798	0.8
432.22772	0.6
433.23834	1.0
434.24765	3.8
444.23227	1.0
445.20264	2.3
447.21970	0.6
449.23752	0.7
457.24310	0.9
458.25070	3.8
459.21521	5.0
460.22537	30.6
461.23462	6.1
472.22345	4.1
473.23123	3.3
477.23074	2.7
485.23300	11.7
486.19327	0.6
486.24402	2.9
486.52457	0.5
487.20709	5.4
488.22272	0.8
489.23343	0.6
492.25244	8.8
499.20978	0.5
500.22504	2.3
501.23633	0.9
503.24466	2.2
505.22339	14.3
513.22943	2.8
514.23724	2.0
517.26428	5.3
518.23138	0.6
519.23950	4.4
520.24811	1.6
529.25500	0.8
531.22943	0.6
533.25732	0.7
545.25500	45.9
546.25854	0.8
547.27167	1.7
559.23004	0.5
573.24976	12.6
574.25134	0.6
605.26898	3.0
647.29767	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53112	0.4
58.88068	0.5
71.44895	0.5
80.10825	0.4
107.41598	0.5
124.82803	0.5
128.38022	0.6
141.38876	0.5
141.94772	0.5
171.25298	0.6
175.00258	0.5
197.93271	0.5
220.13097	0.8
267.18475	0.5
318.23648	0.5
329.55725	0.6
341.38977	0.6
429.20856	1.0
430.21701	1.0
432.22931	1.2
433.23947	0.5
434.24689	3.6
443.22092	0.8
444.22937	4.9
445.20428	1.2
446.23471	0.6
449.23410	1.3
454.43253	0.7
457.24203	2.5
458.25281	6.6
459.21527	9.2
460.22592	25.9
460.29205	1.0
461.23535	6.1
470.21484	0.9
472.22696	9.3
473.23514	3.5
477.22659	0.7
485.23447	18.2
486.20343	2.4
486.24326	3.8
487.20685	3.7
488.22318	0.8
492.25427	6.0
496.20715	0.6
500.22397	2.3
501.23462	1.2
502.24609	0.8
503.24448	2.8
505.22290	10.4
513.22552	4.5
514.23743	2.2
517.26093	11.1
519.23566	4.2
529.26068	2.2
533.26129	0.8
545.25507	86.1
546.25549	0.7
547.27057	0.8
573.24994	21.4
605.27551	43.1
647.29767	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
61.80011	0.3
66.51595	0.3
69.07064	5.0
70.06601	0.7
74.98223	0.2
86.09706	100.0
94.97955	0.2
97.82541	0.3
124.15070	0.3
132.10187	3.1
136.07666	0.3
184.44853	0.3
199.18098	0.3
230.50829	0.3
245.18587	39.3
615.28735	0.3
647.19952	0.6
647.32306	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	647.415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	4.4
55.45308	2.7
57.61954	2.3
60.07878	2.6
60.38984	2.5
67.05505	5.7
69.03416	14.8
69.07052	4.7
71.04991	22.4
73.02920	3.1
81.07053	6.2
83.08599	3.1
85.02908	100.0
85.06546	6.8
90.58679	3.0
93.07008	4.3
95.08596	12.2
97.02898	92.2
97.10179	12.0
105.07020	3.8
107.08590	34.5
107.10653	2.4
109.10145	15.2
115.03931	68.6
119.08579	4.3
121.10155	6.7
123.11664	11.6
125.09649	27.1
127.03916	17.8
127.11128	3.1
131.08546	4.6
133.10217	4.8
141.12761	13.6
143.08574	3.7
143.10696	74.8
147.11726	5.7
149.13306	4.9
157.04956	96.1
157.10109	3.5
159.11789	3.4
161.13280	4.0
162.10796	2.6
162.57509	3.2
174.05864	2.6
175.06010	80.2
175.57710	2.8
185.13318	4.9
201.16405	3.3
223.14835	3.2
254.07172	3.1
320.08865	11.6
321.09689	14.4
336.12158	22.4
337.12622	18.3
419.33029	14.3
437.34409	27.0
455.35132	13.7
473.36353	4.9
544.70984	3.2
563.39075	3.7
611.39166	6.1
629.40076	15.8
647.39954	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	647.415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07572	1.8
55.05519	3.4
55.15204	1.5
57.07079	2.4
57.18230	1.9
60.15572	1.8
67.05499	3.4
69.03436	46.6
69.07065	4.3
71.04076	2.1
71.04981	29.6
74.66994	2.1
75.29099	1.4
79.05511	2.8
81.07063	13.4
83.04981	2.5
83.08638	10.4
85.06538	15.0
91.00515	1.8
93.07043	8.3
95.08604	19.6
97.02892	55.0
97.10156	16.7
99.08063	3.4
100.74899	1.8
101.76563	2.0
105.07050	7.5
107.08598	48.1
107.09263	3.2
107.42534	2.0
109.10147	28.8
115.03942	40.6
117.06989	2.1
119.08566	10.3
121.10146	10.5
123.11694	35.2
124.04446	1.8
125.08764	4.0
125.09628	69.7
127.11185	14.9
131.08508	6.6
133.10141	9.7
135.11688	8.9
137.13213	2.0
141.12741	21.7
143.08543	7.9
143.10678	100.0
145.10139	10.7
147.11664	20.6
149.13297	4.0
157.10133	10.3
159.11674	14.6
161.13237	16.3
163.14778	2.9
169.10129	9.3
171.11691	14.1
173.13240	10.4
175.05954	14.1
175.11275	3.0
175.14818	4.3
183.11713	8.1
185.13261	12.0
187.14841	12.6
187.84842	1.9
189.16385	2.1
195.11606	2.0
197.09105	2.2
197.13242	9.5
199.14844	9.0
201.16405	4.7
203.14407	2.1
209.13297	3.8
211.14819	9.0
213.16237	2.6
215.17958	3.8
223.14784	2.8
225.16446	3.8
237.16347	4.4
239.17941	4.6
241.19542	3.2
244.24933	1.9
251.17821	4.1
267.20990	2.6
269.18820	2.6
279.21118	4.7
294.21112	2.0
297.22153	7.7
321.09552	2.6
336.12296	3.1
337.12646	6.4
348.50296	2.1
374.06485	2.1
383.58655	2.1
401.32413	2.9
407.33008	4.2
409.34818	2.6
419.33090	36.1
425.34073	4.1
437.34149	64.5
455.35226	35.5
473.36069	10.6
611.38885	8.1
629.40430	21.1
647.41400	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	647.415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43797	3.0
54.13619	2.8
55.05504	3.7
59.74909	2.8
59.98376	2.8
67.83230	3.0
69.03421	23.4
71.04996	25.6
73.06535	3.4
81.07055	4.7
83.08631	4.4
85.02909	62.8
85.06522	22.3
94.97671	3.4
95.08593	6.9
97.02888	100.0
97.10164	15.4
107.08608	45.6
109.10136	8.5
109.18538	3.8
115.03921	85.1
121.75021	3.6
123.11729	6.5
125.09615	69.9
127.03905	6.8
133.10178	5.4
141.12735	4.1
143.10670	91.0
145.10161	5.1
147.11665	5.1
157.04953	86.6
160.18501	3.7
171.11690	4.7
173.13293	4.1
175.05984	64.2
187.14699	4.7
321.09714	4.0
336.12622	4.6
419.32916	5.1
437.34039	17.3
455.35016	8.3
475.39011	3.9
523.83997	4.4
647.40723	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	647.415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	4.6
62.66293	2.8
67.05530	3.9
67.94301	2.9
69.03437	28.8
69.07082	5.3
70.02359	2.9
70.13280	2.3
71.04997	32.5
79.05505	5.0
81.07072	11.6
83.08630	6.1
85.06551	13.8
85.51788	2.3
90.76184	2.6
93.07058	3.7
95.08612	11.5
97.02892	39.2
97.10170	20.3
107.08606	44.0
109.10168	25.9
115.03929	26.5
119.08575	12.5
121.10146	6.9
123.11670	21.2
125.09624	59.7
127.11211	11.8
128.53113	2.7
131.08577	5.0
133.10126	6.9
135.11743	5.0
141.12790	6.6
143.08539	4.9
143.10678	100.0
145.10159	4.9
147.11711	15.7
149.13338	3.9
153.37756	3.3
157.10074	4.0
159.11671	12.7
171.11661	6.5
173.13225	9.3
175.06004	4.1
183.11778	3.5
184.68561	3.1
185.13304	11.7
187.14754	4.4
201.16292	4.2
227.18011	6.1
258.50024	3.0
322.49390	3.0
336.12341	19.4
337.12772	12.3
338.13516	3.3
355.23608	3.0
358.72916	2.9
399.77032	2.8
419.32916	24.9
437.34180	47.6
455.35352	20.4
473.36130	3.0
629.40179	15.1
647.33752	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	647.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19583	1.5
50.40473	1.1
51.47417	1.3
51.95456	1.2
52.09907	1.2
52.57563	1.5
53.03962	1.6
55.05510	3.3
57.07055	1.3
63.59526	1.3
67.05496	2.5
69.03432	23.7
69.07047	1.7
71.04990	15.8
73.06525	2.7
76.02311	1.4
81.07048	9.1
83.04944	3.2
83.08614	3.2
85.02905	60.3
85.06551	6.9
91.67542	1.4
93.07040	2.4
95.08620	7.7
97.02889	100.0
97.10175	8.1
105.07023	1.6
107.08591	21.8
109.10162	22.6
114.09164	2.6
115.03922	62.7
119.08559	8.9
121.10130	6.0
123.11687	14.1
125.09613	30.4
127.03894	10.9
127.11198	6.2
131.08534	1.9
133.10159	2.8
135.11697	3.3
140.77750	1.7
141.12773	1.6
143.08624	3.3
143.10667	46.8
143.28835	1.9
145.10149	7.6
147.11699	9.0
157.04948	98.6
157.10144	2.9
159.11687	6.7
161.13268	6.0
169.10168	2.0
171.11624	6.4
173.13248	5.9
175.06006	69.5
183.11716	1.5
185.13261	9.0
187.14810	2.6
197.13309	2.1
211.14796	2.9
213.16415	2.4
215.17906	2.4
225.16318	2.2
227.17964	6.0
243.54578	1.5
253.19449	3.3
254.20239	2.1
261.81857	1.6
336.61185	1.6
370.41599	1.8
419.32852	14.7
437.34024	26.0
455.35132	17.0
629.40558	6.2
647.40588	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	647.4856
Annotation	ACGal C6
Peak:m/z	Relative Intensity
53.99858	0.4
57.07086	1.1
61.62300	0.4
67.05483	0.4
69.07076	0.6
71.08633	0.8
81.07058	1.1
83.08599	0.6
85.10191	0.9
90.13683	0.4
95.08597	0.9
109.10104	0.6
123.11656	0.5
127.58293	0.5
130.39626	0.5
160.11789	0.6
195.09987	0.6
198.13353	0.5
214.35310	0.5
231.16074	0.6
313.27423	2.0
335.21857	5.8
391.24664	2.1
483.48206	0.5
498.32608	0.6
542.46576	0.5
588.51874	0.5
615.55939	0.5
647.48590	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.4856
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70155	0.5
54.25876	0.6
57.03464	0.5
57.07079	2.5
57.77802	0.6
59.53646	0.5
60.61826	0.6
69.13485	0.7
71.08640	1.1
72.30709	0.5
81.07045	0.9
83.08640	1.0
85.10188	0.7
86.63514	0.7
95.08649	0.9
109.10166	1.1
124.27834	0.6
164.09094	0.6
202.01633	0.7
234.95485	0.7
313.27515	0.8
335.21927	7.1
391.24561	3.5
647.48541	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
68.25871	2.3
80.67232	2.3
104.72896	2.4
106.91015	2.7
198.18588	2.8
233.05132	3.3
332.25287	2.7
335.21896	21.4
463.98053	2.7
631.89856	3.5
631.99866	3.1
647.48456	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98365	0.6
67.05505	8.1
69.03432	1.0
69.07082	1.1
73.41719	0.7
81.07079	3.1
85.02908	2.9
93.07050	1.6
95.08612	5.8
96.17159	0.7
97.02904	0.9
105.07021	1.4
106.74361	0.7
107.08586	1.2
109.10153	32.3
114.09255	1.1
119.08555	1.5
121.06473	0.7
121.10130	5.2
123.11706	1.7
127.03889	1.1
131.08594	1.2
133.10136	1.0
135.08083	1.1
135.11679	1.2
145.10135	3.2
147.08089	1.4
147.11722	1.1
149.09610	1.1
149.13280	1.6
159.08044	1.4
159.11743	1.3
161.09663	1.1
161.33792	0.7
163.07578	4.0
163.14928	0.8
171.11789	1.1
173.13318	3.8
175.11331	0.9
183.11803	1.4
185.09654	4.4
185.13191	1.0
187.11206	1.0
187.14948	0.9
190.59488	0.7
195.11659	1.0
197.13217	0.8
199.11212	3.0
211.11217	3.3
213.12917	1.0
223.11224	0.9
223.14883	1.2
225.12762	1.5
227.14340	0.7
245.15277	0.9
246.18593	1.3
255.17610	1.1
290.64996	0.8
321.22214	3.0
339.23340	5.3
352.10599	1.1
368.25906	0.9
386.26935	1.7
421.30936	1.8
432.32556	1.2
450.33820	8.3
467.77728	0.9
468.34775	14.3
630.39972	3.4
648.41046	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05186	1.6
67.05506	13.9
69.03429	2.4
69.07065	11.0
79.05495	2.6
80.26156	1.8
81.07063	24.8
83.05014	2.2
83.08656	2.8
85.02902	10.4
91.05500	2.1
93.07047	11.4
95.04947	2.3
95.08615	15.1
97.02901	2.6
97.06537	2.2
99.08096	2.2
100.97777	1.8
105.07000	4.3
107.08595	17.9
109.06544	3.0
109.10158	57.7
114.85455	1.8
119.08578	14.0
121.10145	12.2
123.11744	2.4
127.03919	3.3
131.08536	7.5
133.06511	2.2
133.10120	8.9
135.08049	28.9
135.11714	4.6
136.06186	3.1
137.09644	11.3
143.08560	4.0
145.04965	1.8
145.10147	14.7
146.20148	1.7
147.11684	12.1
149.05983	3.2
149.07095	1.9
149.09644	11.1
149.13298	6.5
157.10124	8.1
159.11604	14.0
161.09595	10.9
161.13235	7.7
169.10150	3.2
171.11720	7.3
173.09619	3.8
173.13275	7.4
175.11099	2.6
175.14822	18.4
177.12752	1.9
183.11732	2.8
185.09569	3.6
185.13281	10.0
187.11266	4.5
187.14844	4.0
189.12738	3.9
195.11702	3.0
199.11082	2.3
199.14941	3.6
201.12755	8.9
203.14293	9.8
213.12823	3.2
213.16429	3.2
215.14267	8.8
223.14743	3.0
227.14247	3.2
229.16071	2.8
241.15852	8.3
255.17390	3.8
267.17520	3.2
283.16797	3.4
284.64066	2.4
285.18524	3.9
307.20496	3.3
335.23566	2.5
353.24741	2.1
359.23611	2.3
377.24725	3.3
385.08624	2.0
393.27737	3.1
405.31351	1.9
415.30032	18.3
433.31082	60.8
451.32086	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53984	0.7
55.05515	0.9
57.03437	0.9
57.07054	0.8
67.05510	4.4
69.03426	1.1
69.07073	5.7
75.44237	0.7
79.05517	1.2
79.82257	0.9
81.07069	7.5
85.02896	4.8
91.05447	1.0
91.61078	0.8
92.21244	0.9
93.06513	1.0
93.07021	6.7
95.08614	8.1
96.28795	0.8
103.03985	0.9
105.07017	4.3
107.08604	8.1
109.06518	1.4
109.10163	25.2
111.08102	2.2
119.08580	9.9
121.10150	6.2
123.08127	1.3
123.11731	1.5
131.08566	1.8
133.10150	6.2
135.08069	5.8
135.11665	1.9
135.69489	0.9
137.09622	4.1
143.08562	1.9
145.04944	1.1
145.10132	5.9
147.11697	6.0
149.09601	1.8
149.13264	1.0
157.10136	4.7
159.11700	6.8
161.09631	4.0
161.13223	2.0
163.11153	1.6
169.10210	1.9
171.11658	4.8
173.09630	3.6
173.13382	2.0
175.11250	3.3
175.14787	4.6
183.11708	2.0
185.09598	1.4
185.13280	3.8
187.11201	2.1
187.14803	4.4
189.12733	2.2
197.13261	1.5
199.11171	2.0
199.14926	1.4
201.12747	3.7
203.14383	1.2
209.13188	1.5
211.14810	1.9
213.12636	1.5
213.16464	1.6
215.14381	2.0
223.14822	3.3
225.12718	2.1
225.16316	3.1
227.14249	2.1
229.15886	1.7
233.15463	1.2
239.14273	1.4
239.17989	1.2
241.15901	3.8
243.17477	1.0
249.16377	1.1
251.17804	1.2
255.17461	1.6
267.17572	1.7
281.18994	3.7
307.20563	1.3
309.22192	1.5
323.23557	1.1
333.22037	2.0
334.32123	1.0
335.23651	1.3
351.23141	3.9
363.26678	2.1
385.35480	1.1
395.25836	1.9
415.29898	2.1
433.31055	19.6
451.32086	100.0
470.23361	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	648.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17616	0.4
53.87605	0.4
55.05512	0.9
59.81188	0.4
67.05505	6.0
69.07076	1.3
79.05511	0.7
79.64164	0.7
81.07058	3.7
83.08611	0.5
85.02911	3.3
91.05493	0.6
93.07047	1.3
93.12257	0.6
95.08609	4.9
95.25694	0.6
97.02900	0.9
97.10194	0.6
105.07053	2.2
107.08597	3.6
109.10162	36.2
119.08593	1.1
121.06515	1.0
121.10095	3.9
123.04428	0.9
123.08081	0.5
123.11726	2.6
126.36826	0.5
127.03899	0.7
131.08549	0.8
133.10165	1.2
135.08008	0.8
135.11688	1.3
137.09633	0.7
145.04948	0.5
145.10146	1.1
147.08044	0.9
147.11691	0.6
149.05998	0.7
149.13318	1.3
157.10150	0.8
159.08109	0.7
159.11626	1.8
161.09639	2.0
161.13303	2.1
163.07509	6.0
169.10239	0.6
171.08101	2.4
171.11703	2.7
173.09663	2.5
173.13290	3.2
175.11191	0.8
183.11681	1.0
185.09589	3.8
187.11140	1.1
187.14842	0.8
197.13309	0.7
199.11203	3.2
199.14793	0.8
209.13272	0.6
211.11217	3.5
213.12764	0.8
213.16493	0.7
214.68983	0.6
223.10939	0.6
223.14912	1.0
225.12816	3.1
229.15913	0.8
237.12836	0.7
237.16316	0.8
239.14214	0.8
245.15434	2.2
246.18585	2.5
246.28360	0.6
249.16267	0.8
251.14461	0.9
255.17534	1.2
267.05530	0.6
295.20724	0.8
312.84421	0.7
321.22241	3.7
323.23999	0.7
333.69632	0.6
339.23206	6.8
350.55273	0.7
351.23209	0.7
365.24783	0.7
386.27063	1.2
421.31204	2.3
422.34134	0.7
432.32639	2.3
450.33734	7.4
451.32144	1.3
468.34833	14.5
477.24225	0.7
486.36151	0.7
523.16296	0.6
630.39941	4.4
631.12823	0.7
648.41077	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55813	0.4
55.05536	0.5
57.07094	0.6
60.36075	0.4
65.45969	0.5
67.05515	4.2
69.03440	1.4
69.07086	6.3
72.20809	0.5
79.05526	0.7
81.07063	4.6
83.04996	1.1
83.08657	0.9
85.02930	3.1
85.06566	0.6
93.07062	4.3
93.44135	0.5
95.08606	7.9
97.02917	2.1
97.06554	0.8
105.07063	2.8
107.08599	5.4
109.06553	3.5
109.10161	20.6
111.08134	0.8
118.71980	0.6
119.08614	1.3
121.06521	0.9
121.10136	7.6
123.08092	2.7
123.11758	3.5
125.09637	1.1
127.03880	1.0
129.61441	0.6
131.08571	1.1
132.11723	0.6
133.10124	4.3
135.08081	2.4
135.11729	1.4
137.09639	2.2
143.08614	1.3
145.04999	0.8
145.10127	4.2
147.08035	1.2
147.11697	4.6
149.09680	2.0
151.07657	0.8
151.11205	1.4
157.10179	3.0
159.08092	0.7
159.11749	2.5
161.09705	2.8
161.13310	0.7
163.11200	2.5
165.09203	1.2
165.12703	2.0
169.10168	2.3
171.11697	4.3
172.78937	0.6
173.09595	2.7
173.13298	3.3
175.11217	2.2
177.12814	0.8
181.10236	0.7
183.11711	1.3
184.40204	0.6
185.09653	1.0
185.13304	3.4
187.11223	2.8
187.14861	1.4
189.12840	2.4
189.16138	0.7
191.10576	0.7
191.14351	1.1
195.11816	0.9
197.13252	1.3
199.11145	4.7
199.14912	1.2
201.12823	1.1
203.14401	1.0
205.15891	0.7
209.13141	1.1
211.11397	0.7
211.14832	0.6
213.12794	2.9
215.14322	1.0
221.13356	2.5
223.15027	0.9
225.12923	1.6
225.16399	1.3
227.14369	1.2
229.15927	2.8
236.15585	0.6
237.12723	0.9
239.14444	1.4
239.17908	0.7
241.16017	1.2
243.17505	2.8
249.12787	1.0
249.16507	0.7
251.14394	1.0
253.15901	3.0
255.17436	1.3
259.17020	3.1
265.15887	1.4
267.17554	1.4
269.19058	1.2
279.17508	1.3
281.19025	0.9
283.20761	1.1
285.18521	2.5
293.19229	0.7
295.20618	0.7
299.20276	0.6
305.22543	0.7
307.20630	1.2
309.22110	1.1
313.21719	0.9
321.22525	1.0
323.23630	1.0
325.21820	0.9
327.23206	0.9
333.22128	3.0
335.23822	1.3
351.23322	8.5
363.26926	3.4
365.24954	4.0
377.24762	3.4
381.27969	3.5
381.98801	0.7
391.30206	0.8
408.23965	0.6
415.29816	1.3
433.31021	14.5
451.32089	100.0
643.18335	0.8
648.40479	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	648.5197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00358	3.0
54.30585	2.7
55.05519	28.4
57.03446	20.5
67.05511	81.2
69.07075	43.2
74.50249	3.6
76.96673	3.8
79.05502	55.8
81.07070	86.9
83.08617	18.2
91.05486	25.4
93.07034	47.5
95.08607	72.3
97.10165	9.2
105.07085	28.4
107.08622	45.2
109.06532	4.4
109.10169	42.7
117.07060	4.3
119.08595	32.6
121.10126	36.6
123.11694	19.3
131.08557	15.0
133.10124	21.9
135.11696	18.8
145.10152	18.0
146.58417	3.6
147.11694	20.4
149.13220	8.6
157.10141	4.9
159.11722	5.2
161.13245	16.5
173.13205	5.2
207.53967	4.6
241.19476	6.2
259.20627	12.9
277.21768	6.4
293.04666	3.7
333.24130	18.1
337.27383	100.0
351.25433	52.2
353.08704	4.3
555.44208	4.9
559.36029	4.5
613.48163	55.0
648.48297	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	648.5193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96600	3.5
51.49028	3.2
55.05510	27.4
55.49741	3.5
56.51585	3.7
57.03437	7.1
60.17615	4.0
67.05509	90.6
68.68928	4.6
69.07056	35.9
75.35979	4.8
79.05488	41.7
81.07069	84.1
83.08621	10.2
88.81575	4.1
88.84814	4.3
91.05484	28.0
93.07044	56.0
95.08602	75.6
97.10162	10.9
105.07011	21.7
107.08595	40.1
107.52097	4.6
109.10168	43.6
110.73785	4.5
119.08585	26.0
121.10133	30.6
123.11708	6.7
125.09661	4.2
131.08530	4.9
133.10106	9.7
135.11691	21.1
145.10117	18.1
147.11665	9.0
148.39819	4.4
149.13258	8.4
159.11703	5.7
221.15450	4.8
222.81282	4.9
227.12737	10.0
261.22186	5.6
277.21643	5.6
279.23163	6.0
335.25833	33.2
337.27417	50.7
351.25366	21.1
353.26752	10.7
557.42755	6.2
595.46539	6.1
613.48138	100.0
648.49048	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	649.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40757	0.7
63.45907	0.8
66.53873	0.8
66.79422	0.7
67.05513	1.1
68.09212	0.8
69.03429	0.8
69.07064	0.8
73.02892	1.0
79.05527	1.0
81.07063	5.6
83.05007	0.8
85.02899	4.4
91.05463	1.3
93.07047	3.7
95.01340	1.9
95.04914	0.8
95.08605	12.1
103.03975	1.1
105.07048	3.8
106.11186	0.8
106.63290	0.8
107.08598	8.9
109.10157	11.2
111.08089	1.1
113.02325	1.0
119.08576	7.7
121.10121	9.1
123.08063	0.8
123.11671	5.0
124.29131	0.7
126.17992	0.8
131.08554	2.0
133.10139	12.5
135.08096	1.7
135.11691	7.4
137.13208	1.1
139.11137	0.8
141.01822	21.0
145.10081	4.4
146.91946	0.8
147.11682	10.2
149.09607	1.9
149.13264	7.1
151.11130	1.2
157.10228	0.9
159.11685	3.2
161.13289	7.0
162.78487	0.9
163.11159	1.1
163.14810	3.9
171.11618	3.5
173.13234	8.2
175.11208	3.2
175.14813	10.8
177.16364	4.2
183.11624	1.1
185.13300	1.6
187.14812	7.0
189.16397	10.0
191.14334	1.9
197.13272	1.3
199.14870	2.1
201.13026	0.9
201.16322	1.2
203.14273	1.0
203.17903	5.7
205.15858	3.2
213.16335	3.3
215.14275	3.8
215.17958	1.1
217.15898	2.0
229.15865	2.0
231.17348	7.0
233.15416	1.4
235.11185	1.0
235.16908	1.2
239.18102	1.2
241.19482	1.1
243.14847	0.9
243.17303	1.4
245.18967	1.5
247.16663	0.9
249.18430	2.0
283.20511	1.1
285.22128	1.4
303.23047	1.2
325.25354	1.3
408.24042	0.9
419.33130	2.0
425.34116	3.1
435.32397	1.0
437.34079	31.2
455.35187	100.0
473.36368	13.2
474.31885	0.9
613.36963	5.6
631.38428	10.9
647.37427	0.9
649.39478	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	649.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13418	1.0
55.05499	1.3
57.32706	1.3
59.72016	1.2
63.95332	1.0
68.78408	1.1
81.07053	8.1
85.02914	3.0
91.53518	1.5
93.07010	1.7
94.50151	1.3
95.01330	5.4
95.08600	12.4
105.07037	3.0
107.08586	10.7
108.72628	1.3
109.10178	10.9
111.08076	1.5
119.08575	10.0
121.10152	10.2
123.08094	1.7
123.11741	2.9
127.03872	1.7
127.43095	1.2
131.08548	1.4
133.10092	10.2
135.08107	1.6
135.11700	12.5
135.23000	1.2
137.13281	1.6
139.11220	1.8
141.01839	23.2
145.10115	5.4
147.11688	7.6
149.09535	2.0
149.13263	8.0
157.10045	1.6
159.11710	6.0
161.13234	7.4
163.11171	2.0
163.14778	1.6
171.11717	2.4
173.13274	8.1
175.11221	2.2
175.14871	14.4
177.16374	2.1
185.13292	1.6
187.14845	7.9
189.16324	9.8
199.14819	1.5
201.16357	2.1
203.14384	1.4
203.17958	2.7
205.15912	1.4
213.16286	1.6
215.14336	2.0
217.15816	2.6
229.15950	1.4
231.17392	9.3
243.17461	1.4
247.16930	1.6
249.18559	1.7
257.18939	1.5
271.20612	2.5
283.20630	1.4
285.21994	1.7
364.60800	1.5
419.32919	2.2
425.33923	7.5
437.34247	32.1
455.35178	100.0
473.36343	15.6
613.36908	7.2
631.38037	6.6
649.40344	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	649.3946
Annotation	gypsogenate-28-beta-D-glucoside
Peak:m/z	Relative Intensity
53.13418	1.0
55.05499	1.3
57.32706	1.3
59.72016	1.2
63.95332	1.0
68.78408	1.1
81.07053	8.1
85.02914	3.0
91.53518	1.5
93.07010	1.7
94.50151	1.3
95.01330	5.4
95.08600	12.4
105.07037	3.0
107.08586	10.7
108.72628	1.3
109.10178	10.9
111.08076	1.5
119.08575	10.0
121.10152	10.2
123.08094	1.7
123.11741	2.9
127.03872	1.7
127.43095	1.2
131.08548	1.4
133.10092	10.2
135.08107	1.6
135.11700	12.5
135.23000	1.2
137.13281	1.6
139.11220	1.8
141.01839	23.2
145.10115	5.4
147.11688	7.6
149.09535	2.0
149.13263	8.0
157.10045	1.6
159.11710	6.0
161.13234	7.4
163.11171	2.0
163.14778	1.6
171.11717	2.4
173.13274	8.1
175.11221	2.2
175.14871	14.4
177.16374	2.1
185.13292	1.6
187.14845	7.9
189.16324	9.8
199.14819	1.5
201.16357	2.1
203.14384	1.4
203.17958	2.7
205.15912	1.4
213.16286	1.6
215.14336	2.0
217.15816	2.6
229.15950	1.4
231.17392	9.3
243.17461	1.4
247.16930	1.6
249.18559	1.7
257.18939	1.5
271.20612	2.5
283.20630	1.4
285.21994	1.7
364.60800	1.5
419.32919	2.2
425.33923	7.5
437.34247	32.1
455.35178	100.0
473.36343	15.6
613.36908	7.2
631.38037	6.6
649.40344	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	650.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05535	3.3
57.07087	38.4
59.90628	1.3
61.02928	1.6
66.52411	1.4
67.05521	10.9
67.49667	1.4
69.03461	9.3
69.07088	6.9
71.05013	2.7
71.08629	2.1
73.02930	2.3
79.05536	2.6
80.02081	1.3
81.03440	10.0
81.07055	33.6
83.08642	7.9
85.02910	54.4
85.06551	29.2
85.07010	2.0
91.05481	2.0
93.07043	11.1
94.19952	1.5
95.08605	55.5
97.02881	23.5
97.10177	2.6
99.04473	16.2
99.08110	3.3
103.03943	78.6
105.01938	2.1
105.07047	6.2
107.08601	20.9
109.02895	11.7
109.10162	47.4
111.11810	1.6
119.08579	5.8
121.10152	17.2
123.11709	28.4
127.03916	100.0
127.11219	3.2
133.10152	2.2
135.11691	21.4
137.13283	8.8
139.11191	3.0
145.04958	44.6
147.11720	11.6
149.13300	6.3
149.85394	1.5
151.14865	1.9
155.14270	2.5
161.13297	9.6
163.06010	43.4
163.14856	12.3
175.14911	3.0
177.16455	1.8
181.42966	1.4
187.06041	2.1
189.16431	2.2
191.17970	17.3
203.18074	2.1
217.19479	12.8
223.14760	16.4
240.08992	1.4
261.25809	2.3
268.14252	1.4
271.08127	5.3
273.25644	18.0
289.09171	9.7
291.04129	1.8
291.26822	57.1
307.10233	65.2
309.27933	5.8
315.70053	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	650.426
Annotation	Unknow
Peak:m/z	Relative Intensity
61.36749	5.1
67.05505	11.4
67.22997	4.0
69.07051	10.3
76.70908	4.6
81.07054	30.3
81.98913	5.5
85.02919	11.6
91.05491	6.0
92.21244	6.5
93.07030	7.6
95.08598	25.5
99.08121	6.9
105.07027	8.1
107.08553	22.7
109.10152	89.2
112.32420	5.9
119.08556	25.2
121.10159	21.0
131.08549	7.2
133.10136	24.0
135.11635	7.5
145.10123	7.7
147.11676	8.8
149.09648	8.4
157.10100	10.4
159.11629	5.5
171.11595	6.4
175.14816	42.9
211.14815	7.2
257.19055	7.6
297.22058	9.6
309.22153	9.0
362.97339	6.0
417.31357	9.9
435.32501	97.6
453.33627	100.0
481.40302	6.9
593.51691	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	650.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	5.5
57.07084	1.2
67.05173	1.2
67.05513	20.0
69.03428	4.8
69.07071	14.9
71.04976	1.6
76.06757	0.8
79.05499	6.1
81.03417	3.1
81.06611	1.5
81.07062	31.8
83.04971	2.0
83.08624	9.1
85.02900	11.8
85.06567	6.3
87.00824	1.1
90.33179	0.8
91.05489	6.5
92.21107	2.2
93.07039	21.6
93.22987	0.8
95.04987	1.4
95.08608	32.6
97.02893	3.5
97.06528	3.6
97.10152	1.0
99.08080	11.9
105.07034	16.6
107.08598	35.4
109.02884	4.3
109.06536	3.6
109.10158	84.2
111.08092	5.1
117.07010	3.5
119.08584	39.1
121.06545	1.1
121.10139	28.1
123.08040	7.1
123.11710	9.2
125.09658	3.8
125.83548	0.8
127.03934	5.8
127.11157	1.0
129.07019	3.2
131.08578	11.6
133.06577	1.2
133.10133	27.2
135.08080	8.6
135.11703	13.6
137.09613	5.3
137.13290	0.9
142.07822	1.4
143.08553	7.2
144.09383	1.4
145.05006	1.1
145.10112	24.3
147.11690	21.6
149.09619	7.8
149.13280	5.5
151.11206	1.9
155.08548	3.2
156.09389	1.2
157.10107	15.0
159.07957	0.9
159.11688	23.8
161.09628	4.5
161.13226	13.7
163.11115	4.1
163.14804	3.8
165.12656	1.2
167.14333	0.8
169.10138	13.7
171.11670	17.0
172.59108	0.9
173.09633	1.5
173.13219	13.3
175.11140	7.7
175.14813	26.5
177.12762	4.4
177.16414	6.2
178.06339	0.9
178.54729	0.7
179.08603	1.3
179.14352	1.1
181.10101	4.5
183.11697	12.3
185.09590	1.3
185.13246	19.4
187.11212	4.6
187.14819	10.3
189.12747	3.5
189.16383	1.8
191.14359	1.0
195.11731	6.7
197.13249	8.0
199.11218	1.0
199.14796	7.8
201.12772	3.7
201.16431	1.7
203.14287	1.4
203.18016	1.6
207.11678	0.9
207.70308	0.9
209.13242	7.5
211.14784	9.5
213.12828	1.2
213.16385	9.2
215.14351	1.8
215.17972	1.3
221.13333	3.3
222.02223	1.1
223.14838	9.1
225.16391	15.6
227.14314	1.6
227.17961	5.6
229.15900	3.3
229.19508	1.0
231.17406	4.8
235.14812	1.4
236.15640	1.0
237.16331	9.3
239.14236	1.2
239.17950	8.9
241.15901	4.5
241.19534	5.5
243.17477	8.7
247.14563	0.9
249.16330	4.9
251.17920	6.7
253.15860	1.3
253.19431	3.0
255.17389	3.9
257.19058	3.4
261.16327	1.1
263.17844	2.5
265.19455	3.5
267.17444	7.1
269.18954	8.8
275.17886	1.0
277.19522	1.7
279.21115	5.2
281.19012	1.4
283.20529	1.4
289.19348	1.0
291.21039	5.3
293.19025	1.2
293.22662	1.3
295.20612	3.4
297.22064	4.4
309.22101	4.6
315.55627	1.0
317.22650	1.2
319.24200	1.7
331.24011	1.4
333.25821	1.0
335.23688	4.1
337.25174	1.1
342.04266	1.9
343.24261	1.4
346.07361	1.9
349.25217	1.3
351.26932	3.3
353.24548	3.0
356.07422	1.1
359.26993	1.4
361.25128	4.7
367.26309	0.9
377.28491	1.3
379.26190	5.6
391.29794	1.2
393.10190	1.1
399.30460	10.3
402.06396	33.1
417.31567	39.0
435.32581	100.0
453.33643	70.4
478.13617	1.0
579.37164	1.5
597.37750	1.9
615.38770	1.1
672.04730	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	650.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.6
57.22509	0.5
67.05524	4.2
68.20316	0.5
69.03435	0.6
69.07062	3.3
79.05511	1.1
81.07056	5.2
85.02914	1.2
91.00739	0.5
91.05500	0.8
92.07785	0.6
92.21170	3.5
93.07052	3.9
95.08606	7.2
97.02904	0.7
97.10208	0.8
105.07034	2.8
107.08591	5.6
109.06555	2.7
109.10163	20.7
119.08589	5.9
121.06541	0.8
121.10129	6.3
123.11709	4.0
131.08598	1.3
133.10139	3.5
135.08064	1.4
135.11684	4.0
137.09586	1.0
143.08574	1.1
145.10149	3.2
147.08145	0.9
147.11691	3.1
149.09586	1.2
149.13280	1.2
151.11171	1.4
157.10150	1.4
159.11691	2.7
161.09619	2.3
161.11972	0.7
161.13260	1.4
163.14825	0.7
165.09113	1.4
169.10184	1.3
171.11702	3.8
173.09552	1.3
173.13269	4.0
175.11160	1.1
175.14818	1.4
177.12750	1.0
183.11629	1.1
185.09732	0.7
185.13289	3.2
187.11163	2.4
187.14842	2.6
189.16339	0.9
191.10695	0.8
197.13298	2.7
199.11189	6.4
199.14772	0.9
201.12727	0.8
203.14360	1.0
209.13385	1.2
211.11249	1.3
211.14795	0.7
213.12767	2.4
213.16240	2.0
215.14322	1.1
223.14764	0.7
224.71483	0.6
225.12740	3.9
225.16380	2.8
227.14314	0.7
227.17986	1.3
229.15816	0.8
239.14322	3.1
241.15834	1.2
243.17456	3.3
251.14319	1.3
253.15933	0.9
253.19518	0.8
255.17346	0.6
261.18643	0.9
267.17303	1.0
267.21191	0.6
269.18970	2.7
281.19061	1.0
283.20584	0.9
293.19067	0.7
295.20447	0.8
335.23752	6.2
349.25281	1.1
353.24890	5.1
365.28644	1.9
367.26300	1.1
379.26385	1.2
383.29568	2.9
417.31381	3.3
435.32562	13.0
453.33643	100.0
650.42566	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	650.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.5
57.07092	1.0
60.05255	0.5
60.20640	0.5
62.08061	0.5
63.20904	0.5
65.93293	0.5
67.05515	9.1
67.05792	0.6
69.03447	2.6
69.07084	7.2
71.05006	0.8
79.05488	0.9
81.03436	0.9
81.07072	9.0
83.04993	0.8
83.08643	1.0
83.40237	0.6
85.02923	4.6
91.05490	1.2
93.07030	4.3
95.04986	0.9
95.08605	14.0
97.02898	1.2
97.06610	0.8
97.10175	0.9
99.08123	1.3
102.47626	0.7
103.03967	0.8
105.07056	3.8
107.08588	8.4
109.02919	1.1
109.06556	2.8
109.10155	43.6
111.08105	4.3
117.07074	0.9
119.08562	8.0
121.10146	6.3
121.60522	0.6
123.08093	2.7
123.11723	5.6
125.09633	0.7
127.03937	2.9
131.08588	1.5
133.10114	10.1
135.08093	1.4
135.11708	3.4
137.09657	1.3
143.08582	1.3
145.04991	1.0
145.10130	15.7
147.11687	5.4
149.09648	0.7
149.13298	1.5
151.11229	3.3
157.10143	10.9
159.08223	0.8
159.11681	8.5
161.09663	1.0
161.13293	3.3
163.11230	1.4
165.12767	0.8
169.10097	7.0
171.11681	8.8
173.09674	0.8
173.13283	3.9
175.11217	1.4
175.14792	2.3
181.10132	1.1
183.11766	4.1
185.13185	4.6
187.14873	1.4
189.12842	1.0
195.11690	6.1
197.13271	5.0
199.14824	3.2
201.16391	1.2
203.14326	0.9
205.46619	0.7
209.13216	6.6
211.14827	5.1
213.16449	3.1
215.14392	1.4
223.14868	4.0
225.16400	4.0
227.14290	0.7
227.17957	0.9
231.17395	1.0
235.14830	1.1
237.16461	1.4
239.18042	0.9
241.15947	1.2
241.19485	2.7
243.17493	3.5
249.16341	0.9
251.17883	11.9
251.20268	0.6
255.17415	2.2
263.17889	0.8
269.18988	15.0
277.19614	0.8
287.20169	1.0
291.20996	0.7
307.20819	0.7
335.23743	1.1
349.25040	0.8
353.24954	1.0
361.25458	0.8
365.28549	1.2
379.26074	1.0
417.31467	7.7
435.32571	30.3
435.38272	1.2
453.33636	100.0
597.37726	1.0
615.39209	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	651.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40693	0.9
92.21527	1.5
114.85692	1.1
129.01105	1.1
136.40273	1.0
202.51324	1.1
245.25618	1.2
351.85141	1.3
415.19183	1.5
429.20987	4.4
430.21768	1.6
443.22751	4.6
444.19626	7.1
445.20181	1.6
456.19348	1.6
457.20163	5.3
458.21054	8.1
471.22137	14.8
472.23132	10.4
473.19577	9.7
485.20065	5.6
486.20566	13.6
487.21335	6.7
490.19998	6.6
499.21402	24.8
500.22110	5.0
501.22998	1.4
503.24591	11.2
514.19977	2.3
516.21771	3.4
517.22308	20.5
521.25610	3.8
527.20825	5.9
528.21460	1.7
531.23944	29.2
541.23083	1.2
543.24023	2.4
549.24915	16.1
559.23425	100.0
587.22754	20.6
592.27051	4.9
619.25507	91.6
651.28119	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	651.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07119	9.1
67.05521	10.8
69.03416	12.9
69.07071	34.9
70.85413	7.8
81.07063	100.0
81.41383	8.1
85.02917	77.4
85.06557	18.8
88.58856	8.4
93.07020	14.0
95.08628	85.2
97.02910	35.4
99.04456	33.1
99.08094	34.6
103.03948	76.5
107.08569	41.8
109.02889	17.9
109.10146	56.5
121.10136	53.9
123.11714	22.3
127.03908	95.8
133.10150	9.2
135.11693	50.7
137.13280	17.9
145.05055	26.0
149.13301	37.3
163.14890	12.0
177.16368	15.6
195.17470	21.3
213.16476	11.9
213.18530	58.6
291.26785	40.9
301.07062	44.0
307.10251	17.3
309.28006	18.3
329.09659	9.5
495.90860	10.3
512.63684	10.6
620.04663	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	651.4106
Annotation	Arjunglucoside II
Peak:m/z	Relative Intensity
61.77470	1.5
67.05505	9.7
69.07076	7.6
79.05502	2.4
81.07074	13.2
85.02910	3.6
86.16724	2.2
87.49773	1.5
92.21302	6.8
93.07037	10.1
93.86785	1.7
95.08608	20.5
96.11256	1.6
97.02856	1.6
97.65601	1.7
99.08084	1.8
105.07030	8.1
107.08626	12.6
109.10162	40.6
111.08109	1.7
119.08561	11.5
121.10150	10.7
123.11703	1.9
127.03946	2.7
131.08582	7.5
133.06590	2.1
133.10129	10.3
135.04410	2.5
135.11713	3.0
143.08524	1.7
145.10138	16.9
147.07996	2.3
147.11652	16.0
149.05994	6.9
149.13272	3.6
157.10153	8.1
159.02867	1.6
159.08096	2.5
159.11609	12.3
161.13268	11.1
171.11684	2.6
173.09679	1.8
173.13280	10.9
175.11209	26.2
175.14859	7.7
185.13266	7.8
187.14847	24.9
189.12721	3.4
195.11555	2.6
197.13248	2.1
199.14731	1.6
205.15826	3.5
211.14822	3.2
213.16441	6.9
215.14287	25.2
223.14931	2.7
225.16409	3.2
233.13213	2.5
233.15355	25.8
237.16357	1.8
241.15863	2.5
243.17407	2.1
251.18005	2.3
301.07053	25.9
355.26379	3.9
366.54510	2.1
377.28262	8.6
395.29462	16.9
417.31482	3.8
435.32629	38.4
453.33649	100.0
471.34894	2.1
488.18622	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	651.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55681	1.6
54.03172	1.7
55.05516	3.6
67.05500	12.7
69.03403	2.8
69.07061	16.3
72.65498	2.2
81.07063	30.7
83.08624	2.5
91.05449	3.2
92.20871	2.6
93.07018	16.0
95.08606	30.6
97.02898	2.9
99.08092	4.3
105.07041	10.8
107.08607	22.5
109.06483	2.6
109.10155	40.1
111.08060	3.0
119.08562	20.3
121.10101	16.6
123.08100	2.1
123.11686	11.7
127.03883	3.6
130.62909	2.1
131.08536	10.6
133.10112	15.6
135.07983	4.0
135.11662	12.3
135.47807	1.9
137.09572	3.1
143.08582	3.4
145.10120	14.3
147.11699	18.7
149.13219	5.2
155.08542	3.4
157.10120	12.0
159.11719	16.3
161.09619	2.3
161.13248	12.6
169.10141	11.8
171.11678	12.9
173.13257	9.6
175.14812	13.4
177.49022	2.0
181.10081	2.5
183.11687	8.5
185.13277	9.0
187.11272	2.4
187.14784	9.0
189.12715	2.9
195.11681	10.4
197.13260	11.6
199.14807	4.3
207.11725	4.2
209.13167	3.9
211.14728	4.7
213.16322	4.4
221.13203	4.0
223.14801	4.5
225.16469	4.9
229.15637	2.1
237.16310	2.6
239.14294	2.5
239.17947	4.9
249.16408	2.8
251.17992	3.7
253.19615	4.5
263.17889	4.0
263.63266	2.3
265.19388	8.7
267.20685	2.9
309.21875	2.5
323.23651	25.8
349.25247	11.1
351.26752	3.3
371.25815	18.4
397.27390	3.2
405.31357	4.7
407.33090	4.6
417.31390	13.1
423.32971	3.9
435.32626	41.5
453.33630	100.0
471.34708	26.6
570.54700	2.4
651.38312	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	651.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	15.3
62.79110	3.7
67.05504	30.5
67.92236	3.4
69.03426	15.5
69.07078	20.3
70.06588	7.7
70.47512	3.6
70.70057	3.5
79.05489	7.2
81.07073	61.9
83.08608	8.6
84.83137	3.9
85.02887	34.7
85.06557	7.8
91.05478	8.3
93.07040	23.8
95.08617	56.9
97.02900	19.6
97.10143	9.2
97.77077	4.1
99.08101	17.0
105.07040	24.3
107.08591	42.5
109.10165	100.0
116.07108	8.8
119.08633	39.9
121.10155	32.9
123.08107	5.1
123.11720	33.6
125.09603	6.6
127.03931	24.3
131.08534	17.8
133.10135	23.8
135.11697	24.3
136.07585	5.8
137.09659	4.3
138.64717	4.5
143.08588	9.2
145.10136	27.9
147.08008	5.9
147.11674	28.1
149.13284	10.2
157.10097	17.5
159.11674	24.5
161.09648	4.9
161.13274	23.2
169.10143	19.9
171.11719	17.8
173.09566	4.8
173.13263	20.4
175.14836	22.5
181.10173	5.1
183.11691	18.7
185.13210	21.1
187.14804	10.7
195.11613	9.9
197.13261	8.8
199.14856	6.1
209.13127	16.7
211.14853	21.9
215.17798	5.8
223.14706	9.7
224.62556	5.4
225.16460	8.3
229.15948	4.5
237.16429	6.2
239.18011	5.6
241.15749	6.9
251.18022	5.9
265.19388	4.5
283.20612	5.9
291.21054	6.0
291.26749	9.3
301.07040	38.5
307.23883	4.8
309.21933	5.3
322.84747	5.2
323.23752	8.3
371.25858	6.5
387.30206	5.4
399.30319	5.9
405.31570	6.5
407.32999	7.3
417.31500	27.9
435.32761	81.2
453.33643	98.3
471.34583	24.8
511.30539	4.5
531.37201	4.3
533.31104	9.1
597.37317	9.3
615.38885	37.4
633.39166	5.8
651.31439	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	651.4594
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33735	0.6
58.83137	0.4
65.70101	0.5
67.03451	0.4
67.05508	1.2
68.79356	0.5
74.20914	0.5
79.05484	1.0
81.07074	2.5
82.72240	0.5
93.07056	0.7
95.08604	0.8
101.05077	0.5
121.10178	0.9
123.89815	0.6
131.08649	0.7
226.78310	0.6
317.20944	1.3
331.23001	0.6
335.25650	0.7
388.80402	0.6
651.45972	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4592
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58939	0.3
57.03449	0.6
63.45762	0.3
67.05517	3.2
69.07077	0.4
79.05505	1.0
81.07072	2.5
84.92080	0.4
93.07072	1.9
95.08620	2.2
107.08581	0.5
109.10176	0.7
118.44891	0.4
119.08631	0.6
121.10164	0.4
121.88836	0.4
165.08578	0.4
212.70024	0.4
217.75082	0.4
308.11761	0.5
317.20746	3.6
335.26270	0.5
373.23331	0.5
430.17529	0.4
651.45972	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4595
Annotation	Unknow
Peak:m/z	Relative Intensity
65.45178	1.0
67.05519	1.5
76.18659	1.1
86.75520	0.9
89.36916	0.9
101.95266	0.9
120.25142	1.1
121.10172	1.3
141.59740	1.1
146.18771	1.0
149.03076	1.0
170.61896	1.1
181.98982	1.2
336.93985	1.1
351.05853	1.0
418.49026	1.1
575.84845	1.3
613.76447	1.2
616.47717	1.2
651.45990	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	652.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06598	1.8
67.05500	9.0
69.03436	3.6
69.07076	12.9
79.05510	4.3
81.03432	2.9
81.07061	16.4
83.04978	3.2
83.08640	3.5
85.02904	8.3
85.06523	2.1
91.05443	2.3
92.20977	1.9
92.84821	2.1
93.07041	22.0
95.08617	30.5
97.02891	4.8
97.06523	3.0
99.04484	2.5
105.07038	10.3
107.08599	18.4
109.02871	4.9
109.06586	3.0
109.10166	45.4
110.10525	2.5
111.08128	2.8
117.07040	4.4
119.08600	14.7
121.10147	12.2
123.08102	15.0
123.08862	2.1
123.11710	3.1
127.03914	13.3
130.37473	2.3
131.08565	17.2
133.10153	9.3
135.08057	3.4
135.11700	4.6
137.09615	26.2
144.43890	2.2
145.10149	13.1
147.11691	10.2
149.06024	4.4
149.09572	14.6
149.13206	9.7
153.09085	4.7
157.10095	2.7
159.08136	2.6
159.11690	13.8
161.13226	3.2
163.07527	7.8
163.11324	4.3
169.10031	3.5
171.11693	11.7
173.09715	2.4
173.13260	45.9
175.11206	3.1
177.09074	3.3
180.82591	1.9
183.11687	2.6
185.09666	2.3
185.13268	4.3
187.11174	2.8
187.14828	38.9
189.16391	2.2
197.13237	8.7
205.15880	73.5
215.14343	16.1
233.15359	51.2
251.16560	2.5
322.25821	2.1
419.29013	3.9
436.33066	2.5
437.29822	20.0
455.31482	100.0
472.35172	3.1
498.47049	2.2
634.39508	2.9
652.38953	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	652.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59846	2.1
55.05514	3.4
60.39492	2.6
67.05510	28.3
69.03429	6.0
69.07064	15.6
71.05000	3.1
75.90615	2.4
79.05484	6.1
81.03402	2.5
81.07060	28.5
81.47671	2.4
83.08617	10.4
85.02898	20.0
91.05473	3.6
93.07045	21.2
95.08602	37.5
97.02900	6.1
105.07030	12.0
107.08590	37.8
109.02889	4.8
109.10158	85.6
119.08588	18.6
121.10159	31.7
123.11711	16.2
125.09605	10.5
126.36423	2.8
127.03920	12.4
131.08585	6.4
133.10130	15.2
135.08055	6.4
135.11699	16.1
137.09525	3.1
137.13240	6.5
145.10078	20.3
147.11688	17.2
149.13293	12.4
157.10110	14.5
159.11690	27.6
161.13261	16.8
163.11243	3.9
163.14836	11.2
165.68546	2.4
167.13899	2.8
169.10133	5.4
171.11679	13.6
173.13289	23.3
175.11201	3.5
175.14825	14.4
177.16467	3.1
183.11661	5.0
185.13263	11.4
185.39630	2.6
187.14824	17.2
189.16403	5.6
197.13322	5.9
199.14738	4.2
201.16354	10.9
211.14882	5.9
213.16422	4.8
215.17976	5.9
217.15935	4.8
223.14696	3.2
225.16299	2.9
227.17892	5.3
243.17461	11.7
243.21059	5.2
255.17418	3.8
267.17453	3.1
267.21014	10.3
297.22101	2.8
309.21896	3.3
311.23621	9.3
313.21536	3.6
351.26526	4.0
363.26810	4.4
391.33673	5.2
401.31921	4.3
409.34708	4.8
419.33054	90.8
436.33188	4.1
437.34091	100.0
455.35071	14.9
647.83179	3.5
664.65198	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	652.442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	4.0
58.06619	3.0
59.21935	2.3
60.72035	2.3
61.68994	1.9
62.76394	1.9
67.05513	27.7
68.39685	2.0
69.03415	3.9
69.07084	18.7
74.58248	2.5
79.05479	4.7
80.38101	2.1
81.03397	3.2
81.07061	32.9
81.63190	2.4
83.04964	2.5
83.08617	10.6
83.39158	2.1
85.02915	17.6
91.05473	4.2
93.07056	18.4
95.08607	36.9
97.02899	3.7
97.10178	3.5
98.50725	2.2
99.08118	5.0
101.86631	2.9
105.07020	16.0
107.08595	35.6
109.02881	3.4
109.10160	93.2
117.07037	2.8
119.08575	25.2
121.10123	44.0
123.11691	14.5
125.09644	3.0
127.03923	12.4
129.07056	3.1
131.08585	5.9
133.10155	18.3
135.11690	16.2
145.10109	18.6
147.11678	22.0
148.85681	2.7
149.09598	3.6
149.13245	6.0
155.08528	2.8
157.10123	14.9
159.11662	25.4
161.13263	19.7
163.14813	5.0
165.25623	2.5
169.10172	5.5
171.11670	12.5
173.13269	26.5
175.11180	3.8
175.14792	11.1
177.16342	4.9
183.11719	4.6
185.13254	17.2
187.14812	13.7
189.16347	3.9
192.67651	2.7
197.13248	3.1
199.14867	17.9
201.16383	11.6
209.13116	3.3
211.14789	5.4
213.16367	14.9
215.17940	13.8
217.15956	4.1
225.16267	3.0
227.17844	9.3
229.15916	2.9
233.46606	2.6
239.17914	3.8
241.15756	4.3
241.19463	3.0
243.17372	18.0
243.21162	3.6
249.16229	3.4
255.17426	11.5
265.19275	2.7
267.17593	5.9
267.20972	6.2
281.22598	3.2
292.21722	3.3
293.22586	4.2
307.20636	3.5
311.23627	9.4
337.24997	3.2
351.26611	3.5
363.26816	4.3
401.31876	5.4
409.34732	5.4
419.33051	100.0
437.34140	92.8
455.35059	19.9
457.56595	2.8
581.38348	3.3
599.38953	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	652.443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31949	2.6
55.05522	6.7
56.20245	2.8
58.06611	3.5
67.05509	16.8
69.03407	3.2
69.07077	14.4
81.07054	35.9
83.08606	6.2
85.02897	13.5
88.64931	3.2
92.21046	6.0
93.07045	14.0
95.08615	44.1
97.02869	3.0
97.10197	4.6
99.08074	3.8
103.03936	4.7
105.07054	12.9
107.08595	27.4
109.02927	5.1
109.10154	88.7
111.08083	6.0
119.07815	4.4
119.08573	33.0
121.10133	30.5
123.08144	4.0
123.11717	14.2
127.03892	14.7
131.08592	7.3
133.10101	29.1
135.11720	13.4
143.08618	4.1
145.04903	4.3
145.10156	26.3
147.11687	24.2
149.13234	6.9
151.14769	3.6
157.10143	14.5
159.11708	21.7
161.13242	15.8
163.11241	3.5
163.14767	3.9
169.10063	4.5
171.11667	13.5
173.13263	22.3
175.11125	5.9
175.14827	39.5
177.12839	4.7
177.16356	3.9
183.11714	6.7
185.13327	4.5
187.14838	14.3
189.16388	5.0
197.13293	5.9
199.14888	6.1
201.16347	4.7
211.14818	3.6
213.16322	15.4
223.14932	3.6
225.16350	5.2
227.17932	32.3
239.17914	5.1
243.17412	7.1
245.18985	4.1
249.16333	3.6
251.17841	5.3
253.19528	7.3
265.08688	3.2
267.20984	4.5
269.19116	6.6
271.20691	4.0
281.22549	6.6
293.22278	3.8
298.07135	6.7
311.23645	5.2
353.28275	3.9
363.26852	4.2
401.31982	17.0
419.33044	100.0
437.34152	98.1
455.35168	96.5
585.84314	4.0
599.39594	4.8
617.40356	12.2
652.35345	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	653.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
64.09901	0.8
67.24593	1.0
72.06741	0.9
81.07046	1.0
89.06010	4.2
92.21607	1.5
98.59266	1.0
125.02366	5.5
143.03362	2.5
157.04965	13.8
160.23045	1.1
274.14990	1.0
401.51492	1.4
423.21539	1.3
435.22128	1.8
447.21985	2.3
449.19662	2.1
451.21008	1.1
458.20883	4.7
467.20468	1.7
473.19434	1.3
475.21112	2.5
477.19037	2.0
479.24338	2.1
485.19589	5.5
487.20752	4.7
491.20807	1.7
492.20889	1.1
495.20300	1.4
501.19150	1.6
501.22412	1.8
502.19794	1.3
503.20599	6.6
517.21594	1.7
518.19495	1.2
519.19751	2.2
521.24896	2.1
533.21674	2.1
547.23291	1.6
549.24866	6.8
561.25177	7.6
565.23737	1.6
575.22577	2.0
579.22113	2.1
593.23688	2.5
621.26624	4.5
625.26251	1.2
653.26617	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	653.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
94.73955	2.3
155.01366	2.3
162.95068	2.4
178.04996	2.6
246.91345	2.4
260.09180	2.3
475.21359	2.9
489.18793	9.3
501.19150	4.7
503.20737	4.4
507.23932	4.4
515.20740	3.7
517.22327	11.1
519.20264	13.6
529.18573	2.6
535.23474	5.7
594.24805	20.6
603.22327	30.9
621.14819	3.3
621.23676	44.8
625.26019	3.8
635.24457	17.1
653.25983	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70153	0.9
57.28675	0.9
57.31060	1.2
60.80549	1.2
70.23766	1.0
73.11090	0.9
79.60657	1.4
81.07035	1.5
112.14248	1.1
253.13280	2.1
407.22061	1.6
421.20276	2.3
434.21429	1.4
435.21979	9.3
447.21814	1.8
465.19144	6.3
479.20700	14.6
480.21582	1.7
489.22916	1.8
501.19437	1.4
505.18497	2.5
515.20691	5.0
517.22339	20.5
521.25220	6.9
522.26550	1.5
533.21478	1.6
537.24817	2.7
549.25067	10.2
551.23010	5.6
551.94489	1.5
565.23920	2.0
566.25269	7.4
575.22198	4.0
579.23706	1.6
593.23767	1.9
607.24670	1.4
635.25244	16.8
653.26074	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50341	3.1
56.51169	3.2
73.58512	3.5
76.03460	3.8
77.02288	3.3
78.84766	3.6
80.53979	3.4
85.94463	3.7
88.78326	3.8
148.37270	3.6
178.04950	9.4
180.74043	3.8
198.30125	4.3
217.26649	4.2
243.10603	4.0
412.25189	4.2
432.38300	5.3
466.36722	3.8
473.20193	5.2
501.18817	6.9
515.20673	4.9
559.23322	6.5
603.22485	59.3
621.22998	5.1
635.25018	9.4
653.26080	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
65.69033	0.9
67.05514	1.8
81.07055	4.4
90.94565	1.3
93.07028	2.5
95.08611	1.8
107.08546	1.3
121.10125	1.4
178.05037	1.1
226.17944	1.3
238.01511	1.0
258.70410	1.1
296.64426	1.1
377.76804	1.1
447.21640	1.8
461.23621	2.0
467.51749	1.1
474.20291	1.8
475.21204	18.8
476.21555	1.2
479.24219	4.6
487.21454	1.1
490.23938	1.8
491.24490	1.3
501.22421	1.3
507.23898	28.9
515.20459	1.5
517.22021	1.7
519.24103	7.5
534.22583	9.5
535.23456	25.1
551.25562	1.6
561.25018	9.9
566.24756	11.5
579.22369	1.7
603.22467	7.6
621.26880	12.5
635.24670	5.1
653.26074	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
65.69033	0.9
67.05514	1.8
81.07055	4.4
90.94565	1.3
93.07028	2.5
95.08611	1.8
107.08546	1.3
121.10125	1.4
178.05037	1.1
226.17944	1.3
238.01511	1.0
258.70410	1.1
296.64426	1.1
377.76804	1.1
447.21640	1.8
461.23621	2.0
467.51749	1.1
474.20291	1.8
475.21204	18.8
476.21555	1.2
479.24219	4.6
487.21454	1.1
490.23938	1.8
491.24490	1.3
501.22421	1.3
507.23898	28.9
515.20459	1.5
517.22021	1.7
519.24103	7.5
534.22583	9.5
535.23456	25.1
551.25562	1.6
561.25018	9.9
566.24756	11.5
579.22369	1.7
603.22467	7.6
621.26880	12.5
635.24670	5.1
653.26074	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07070	1.9
112.58402	2.0
113.21188	2.1
115.82638	2.1
203.22565	2.2
225.13890	3.1
236.25497	2.4
271.87732	2.4
290.55005	2.1
446.21002	5.0
447.21484	4.6
459.21600	5.3
474.20218	4.4
475.21051	5.1
487.21140	14.5
488.22067	4.9
489.23062	2.8
501.22821	8.5
502.24051	2.8
503.24014	3.3
516.24890	3.3
519.23468	8.9
521.25128	2.7
529.22241	4.6
533.25244	10.5
543.24646	3.7
551.26703	3.2
561.17175	3.7
561.25024	69.8
565.28015	3.7
589.24640	7.2
592.26196	10.1
621.27057	100.0
653.29633	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	653.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83745	0.4
52.80110	0.5
57.99023	0.5
70.02333	0.5
77.05283	0.6
97.37923	0.5
97.65467	0.5
119.53536	0.6
276.25076	0.7
330.70502	0.7
436.22437	2.5
461.23672	0.6
463.21201	2.9
464.21774	3.1
474.24036	0.6
475.21487	4.7
476.21777	0.7
477.22906	5.5
492.21484	27.3
501.22778	1.1
502.23090	0.6
503.24292	3.2
507.27182	1.1
519.23889	3.8
521.21710	2.5
523.27100	9.6
533.25635	3.0
535.27051	7.8
540.11792	0.7
545.25671	0.9
547.23749	1.0
551.26526	54.8
561.25201	2.5
579.26031	34.2
589.24908	0.8
594.27960	3.6
653.29700	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2965
Annotation	Haplophytine
Peak:m/z	Relative Intensity
63.42356	0.6
89.12119	0.7
92.20928	0.9
125.96010	0.8
163.20207	0.7
196.82207	0.7
203.13873	0.6
223.76292	0.8
248.83134	0.8
265.13580	0.7
356.61176	0.9
459.22156	0.9
465.70148	0.8
473.24176	1.1
479.24429	15.9
487.21564	4.0
489.23041	1.3
491.20816	1.4
500.22025	2.7
501.22882	5.1
502.23563	1.4
503.21405	1.1
507.27887	9.9
515.21039	0.9
519.23993	7.8
522.26935	1.2
523.26978	0.9
528.21051	1.0
532.24738	1.3
533.25421	3.9
534.25092	0.8
537.25140	5.7
550.25519	1.2
551.26556	27.0
560.24255	10.0
561.25116	3.0
565.27948	8.4
566.28741	10.3
575.26569	14.6
579.25830	1.1
588.23682	7.3
593.27319	0.8
603.25812	2.9
635.28650	11.8
653.29663	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23786	0.3
50.25277	0.4
50.93026	0.4
68.79657	0.4
206.50735	0.4
420.23206	2.4
421.23721	4.6
451.21667	0.7
452.22354	0.8
464.21561	0.4
465.22855	32.9
475.25351	0.5
479.24408	7.0
480.25220	4.1
487.21588	0.6
491.20642	2.8
492.21133	3.6
501.22641	0.9
503.24438	43.2
505.22437	1.6
507.27527	3.7
533.25153	0.7
535.27075	32.5
551.26514	5.5
561.24890	2.9
579.26068	31.7
593.27881	1.8
594.27985	7.4
621.27118	4.2
653.29724	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38252	1.5
51.58807	1.7
52.64786	1.4
53.00325	1.5
53.15942	1.6
55.05505	1.8
67.05503	2.4
68.17725	2.0
69.03432	18.2
69.07080	7.6
71.04993	4.6
73.02922	2.1
81.07047	7.8
84.88599	2.0
85.02437	3.7
85.02911	83.4
92.20923	2.2
93.07028	2.8
95.08616	9.4
95.12378	2.4
97.02894	100.0
105.07057	4.0
107.08576	10.9
109.10169	28.7
115.03922	68.5
117.07098	3.1
119.08616	4.4
121.10127	4.9
123.11711	13.3
127.03912	7.3
128.83827	2.1
131.08531	2.4
133.10146	9.1
135.11700	4.7
141.12715	8.5
143.08585	3.6
145.10124	4.7
147.11687	15.7
149.13271	3.8
157.04947	80.4
157.10101	9.2
159.11684	10.3
161.13257	8.3
161.63519	2.1
169.10094	4.0
171.11664	10.9
173.13278	4.2
175.14848	3.6
183.11772	14.2
185.13290	14.6
187.14818	3.2
197.13290	4.7
199.14792	3.4
209.13193	2.4
211.14743	3.3
217.07072	40.4
223.14745	2.9
225.16438	3.7
279.20923	2.2
333.25919	2.8
401.32159	3.6
419.33191	36.3
437.34024	11.1
451.60077	2.5
598.29193	2.5
635.38995	3.3
653.40454	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	653.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59104	0.9
59.20030	0.9
66.88800	0.9
69.03442	10.3
85.02921	1.4
95.08608	2.5
97.02895	100.0
105.07005	1.4
105.73316	1.0
107.08594	2.5
109.10155	6.5
113.96078	1.0
115.03962	1.9
121.10170	1.4
123.11714	2.4
125.09654	1.2
128.07492	1.0
133.10103	1.8
139.03909	23.2
147.11656	1.7
157.04910	8.1
158.10786	1.1
159.11713	2.5
161.13239	1.3
161.35260	1.2
169.10155	2.3
171.11742	1.7
173.13312	1.6
183.11713	2.0
185.13235	2.6
187.14940	1.1
199.06026	5.3
217.07106	14.6
217.19511	1.5
225.16402	1.9
225.34273	1.2
322.98871	1.3
338.26709	5.9
367.64523	1.3
419.33075	11.0
635.38898	1.3
653.40485	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	653.4087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.9
55.05516	10.7
57.03431	2.5
57.07084	8.5
60.61297	1.6
60.76151	1.8
61.60580	1.7
65.05873	1.6
67.05515	16.1
69.03421	10.9
69.07069	32.8
71.08619	3.4
74.62588	1.9
79.05508	4.4
81.03419	3.0
81.06612	3.3
81.07064	62.3
83.08617	27.3
83.85800	1.8
85.02905	51.5
85.06538	3.9
91.03967	2.3
91.05476	2.2
93.07034	9.7
95.08609	100.0
95.09198	4.3
97.02897	17.4
97.10175	20.7
99.08069	2.5
105.07034	2.3
107.08598	14.3
109.02890	7.7
109.10159	71.9
111.11749	13.2
119.08592	8.8
121.10132	10.6
122.35106	1.7
123.11716	42.2
125.13281	2.0
126.28507	1.7
127.03943	10.4
127.11140	6.3
133.10126	4.6
135.11729	13.6
137.13251	19.1
143.08548	2.5
143.14340	1.9
145.04980	11.4
145.10188	2.4
147.11676	4.5
149.13260	12.1
149.90637	2.2
150.97726	1.9
151.14815	18.7
157.10147	2.2
159.11679	7.4
161.13261	3.7
163.05978	3.0
163.14796	7.9
165.16362	9.2
173.13228	3.2
177.12773	2.1
177.16389	3.6
183.17496	2.6
187.14835	2.4
189.12688	2.2
191.17793	2.5
193.19618	2.6
199.14867	2.4
201.16380	2.4
203.17963	2.1
205.15758	1.9
205.19402	3.3
275.27280	3.9
293.28363	55.5
325.11200	2.4
359.28949	2.0
396.36594	2.5
401.30475	3.3
419.32028	8.8
437.34119	18.2
455.34595	20.7
599.39600	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	653.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84286	4.6
55.05523	6.7
57.07077	6.3
60.21559	4.4
67.05513	6.7
69.03431	5.4
69.07069	33.3
71.04291	4.5
71.08659	5.7
80.27437	4.6
81.03394	7.8
81.07059	66.2
83.08609	11.7
85.02921	77.9
85.06595	6.4
93.07016	7.6
95.08611	77.5
97.02892	25.3
97.10182	9.3
99.04447	22.0
103.03948	97.2
105.07049	5.7
107.08610	6.2
109.02866	25.8
109.10144	47.1
111.11709	8.1
121.10170	10.7
123.11724	25.6
125.13248	5.6
127.03912	100.0
130.11559	5.1
133.10164	7.9
135.11656	6.3
137.13278	12.3
145.04968	52.4
145.10118	5.2
149.13274	8.0
151.14835	18.3
163.06044	25.2
177.16281	6.9
293.28397	35.1
307.10291	36.9
311.29474	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	653.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01569	1.8
52.75930	1.5
55.05513	3.7
67.05500	7.8
69.03441	2.2
69.07069	12.2
70.06604	2.5
71.04993	14.8
79.05492	2.6
81.03408	3.2
81.07057	16.1
82.03127	1.8
83.04977	1.9
83.08627	4.2
85.02899	13.1
93.07042	12.0
93.95380	1.9
95.08610	34.9
97.10179	4.5
99.08082	2.6
105.07036	11.1
107.08614	19.0
109.06499	3.8
109.10159	50.1
111.08102	3.4
119.08587	19.3
121.06464	3.5
121.10136	22.7
123.08066	2.7
123.11698	22.9
127.03934	2.2
127.11183	47.5
131.08548	3.5
133.06508	2.6
133.10143	15.4
135.08047	3.0
135.11664	16.3
137.13292	3.1
141.12762	12.5
143.08499	3.1
145.06552	2.2
145.10091	14.9
147.11711	17.6
149.09575	2.9
149.13295	12.1
153.12689	2.1
157.10161	4.0
159.08017	3.1
159.11682	13.3
161.09700	2.4
161.13266	11.4
163.14876	3.8
169.10092	4.0
171.11703	7.7
173.09630	2.6
173.13261	17.5
175.11166	3.2
175.14816	3.8
183.11749	7.8
185.13290	9.6
187.14790	3.1
197.13281	4.5
199.14911	4.0
201.12799	12.0
201.16400	3.4
203.14333	3.5
203.18013	3.0
209.13237	2.1
211.14792	2.6
215.14273	9.2
215.17920	3.0
217.19502	3.9
227.18010	3.7
243.17320	2.6
251.17947	3.0
265.19424	2.1
273.18857	2.2
300.06223	3.0
301.68781	1.9
315.08643	48.6
315.23074	2.1
419.33121	19.3
437.34131	78.4
443.00671	2.1
455.35153	100.0
471.62497	1.9
473.36145	12.6
509.91260	2.2
589.10455	2.5
617.40558	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	653.4412
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82056	0.4
53.36229	0.4
55.43411	0.5
63.48359	0.5
81.07012	0.5
91.05499	4.8
97.80484	0.6
104.06238	0.6
117.07006	1.0
119.08581	100.0
133.06474	1.2
200.49875	0.6
400.23206	0.7
653.45245	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	653.4752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06206	0.9
52.05577	1.1
71.38034	0.9
85.98776	0.9
95.08602	1.4
177.62440	1.1
205.82748	1.1
237.74687	1.1
253.99443	1.2
338.26263	1.1
340.85089	1.2
439.06937	1.1
509.22864	1.1
649.57208	1.3
653.47388	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	0.6
57.03430	0.4
67.05507	2.4
69.07072	1.7
69.29218	0.3
81.07072	3.6
83.08644	1.0
91.05477	0.9
93.07011	0.7
95.08603	3.4
97.10164	0.6
107.08562	0.6
109.10150	1.6
126.24705	0.4
133.10182	0.4
193.79851	0.5
218.17223	0.4
295.59900	0.4
317.20856	12.4
337.27402	0.8
373.23636	2.2
407.56155	0.4
653.47491	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4751
Annotation	Unknow
Peak:m/z	Relative Intensity
59.65124	0.8
70.60767	0.8
119.08726	1.1
119.26100	0.9
243.22548	1.0
439.27151	1.1
653.47534	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4752
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15734	0.5
57.05547	0.5
67.05510	1.0
69.07081	0.9
71.08997	0.5
79.05508	0.9
81.07059	1.4
91.05487	0.7
95.08605	1.3
142.00517	0.6
317.20880	1.5
326.21671	0.7
373.23636	1.3
653.47510	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06206	0.9
52.05577	1.1
71.38034	0.9
85.98776	0.9
95.08602	1.4
177.62440	1.1
205.82748	1.1
237.74687	1.1
253.99443	1.2
338.26263	1.1
340.85089	1.2
439.06937	1.1
509.22864	1.1
649.57208	1.3
653.47388	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.6
55.01872	2.6
59.03850	1.9
69.03423	10.3
70.06564	6.6
71.05010	1.9
71.81277	1.7
79.05492	2.2
81.03434	13.2
84.08181	1.8
85.02920	23.7
86.09712	2.1
87.00838	9.6
91.05447	2.6
91.19205	1.6
97.02894	15.1
99.04442	4.1
105.01856	8.4
105.07046	7.7
107.04974	7.9
109.02883	14.4
115.05495	3.2
117.07048	2.2
120.08105	2.2
127.02464	2.0
127.03933	17.6
129.07040	3.0
133.06493	9.5
137.05983	31.8
143.04915	3.2
145.04991	3.3
145.06415	8.6
147.08051	8.0
157.06476	4.0
159.02879	3.1
159.07974	3.5
161.05978	14.7
167.07027	58.2
169.06558	2.2
173.05984	24.8
175.06027	3.7
175.07536	100.0
177.05417	2.7
184.59898	1.8
185.04199	3.3
187.07506	17.0
189.09045	3.4
190.06271	3.5
191.07001	4.3
193.08595	41.5
199.07533	4.4
203.06891	3.9
205.08606	28.5
217.08569	19.1
235.09644	19.5
247.09554	2.3
261.09189	2.8
265.10654	27.2
285.07559	2.9
289.08655	3.2
293.11685	2.7
300.09988	3.9
309.11191	8.7
321.11246	4.1
341.13846	9.0
353.13995	19.4
355.15491	22.9
371.15002	29.0
459.79276	2.1
619.20740	2.8
654.17096	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	654.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47075	0.7
56.05036	0.8
66.83929	0.8
69.03415	5.2
81.03416	5.4
85.02902	13.4
86.08923	1.0
87.00804	4.2
97.02882	6.0
99.04456	3.8
105.01856	2.2
105.07023	2.3
107.04946	6.3
109.02856	5.1
119.04985	1.0
127.03912	7.0
129.07007	7.1
131.04883	1.3
132.78911	0.9
133.06491	2.3
137.05972	1.9
145.04979	0.9
147.07990	1.8
151.07539	1.1
153.05435	1.3
155.61169	0.8
159.02875	3.9
159.08003	1.5
161.05952	11.2
163.07509	1.2
167.07022	100.0
175.07518	20.8
177.05466	3.7
179.07033	10.6
187.07521	20.1
189.09032	1.1
191.07019	9.6
193.08575	4.6
199.07521	7.7
209.08015	1.1
217.08600	1.8
221.09604	1.3
221.41946	0.9
245.77702	0.9
249.09041	6.6
251.52223	1.0
261.09113	3.7
266.09357	1.6
272.69736	1.0
277.08646	1.9
281.11685	13.2
289.08524	4.8
290.09268	1.7
293.11588	1.4
294.08789	1.3
295.09311	1.0
306.08875	1.4
307.09900	1.3
308.10532	1.0
309.11145	9.4
310.12155	1.6
311.42233	1.0
321.11282	4.8
326.11337	4.1
339.11993	1.8
341.13788	34.9
353.13815	21.7
359.14890	3.6
371.14822	18.3
389.15778	2.3
553.17120	1.4
589.18695	3.7
619.19855	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	654.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31726	1.0
53.03957	1.8
55.01870	1.6
55.05513	6.4
57.03434	2.0
57.07073	2.0
57.07988	1.2
61.02933	2.4
67.05503	6.5
69.03432	15.6
69.07069	5.8
70.06583	1.8
71.04987	6.5
73.02925	1.8
79.05482	7.4
81.03416	8.4
81.07060	19.1
83.04977	9.6
83.08614	2.6
85.02904	36.8
85.06569	2.3
87.00828	11.4
90.32119	1.3
91.05452	6.2
93.07034	10.8
95.04961	42.1
95.08596	13.0
97.02891	14.4
97.06522	6.5
99.04456	15.8
105.01858	11.7
105.07038	23.7
107.08601	32.0
109.02862	13.6
109.06522	48.5
109.10161	29.1
111.08052	1.7
117.07027	1.9
119.08568	28.4
121.10127	24.5
123.08044	8.0
123.11709	5.3
125.09648	2.0
127.03914	29.5
129.01813	1.8
129.10196	2.0
131.08589	18.3
133.10133	91.9
135.08080	12.1
135.11668	13.4
139.11160	14.2
143.08566	1.7
143.10646	1.4
145.04968	10.6
145.10123	12.1
147.04419	7.9
147.11685	24.0
149.09634	2.1
149.13263	30.7
151.11188	8.9
153.09125	24.1
158.10960	7.0
159.02876	5.9
163.11203	1.7
163.14789	3.2
165.12741	5.5
169.87480	1.5
173.11742	2.3
173.13254	72.2
175.14809	100.0
191.14310	72.4
202.89563	1.4
209.15367	65.8
213.03865	1.5
227.16385	34.5
231.05029	3.1
353.19495	2.0
371.20428	2.0
439.19470	3.2
457.20715	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	654.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42188	1.5
55.01883	4.1
55.05516	8.9
57.03445	2.5
57.07077	3.0
67.05511	8.2
69.03428	16.0
69.07069	9.6
71.04987	3.8
73.20366	1.7
81.03415	12.1
81.07057	16.2
83.04987	22.6
83.08626	10.1
85.02918	44.3
85.06528	2.3
87.00828	13.9
89.74203	1.8
91.05491	3.3
93.07043	18.0
95.04969	51.4
95.08597	13.4
97.02896	17.4
97.06532	10.4
99.04462	18.6
99.08083	2.3
102.36173	1.8
105.01875	16.9
105.07050	15.1
107.08601	23.1
109.02887	16.0
109.06529	30.8
109.10158	45.7
109.14883	2.0
111.08091	12.3
119.08569	25.4
121.10163	26.5
123.08067	7.0
123.11706	11.3
125.09614	4.4
127.03915	24.2
131.08585	17.1
133.10136	79.4
135.08080	17.9
135.11723	20.3
137.61133	1.9
139.11179	8.1
141.09068	2.8
145.05006	7.2
145.10112	8.0
147.11722	22.1
149.13269	25.3
151.11183	11.4
153.09087	29.4
158.10927	4.6
159.02907	3.7
163.14801	7.5
165.12805	2.7
167.14287	10.9
171.10168	2.6
173.13266	58.7
175.14832	78.1
191.14304	66.7
209.15367	100.0
227.16405	46.9
231.04982	10.5
249.06000	3.0
300.19272	1.9
371.20422	3.8
398.79565	1.9
427.53113	1.9
457.20456	12.6
475.22232	2.8
588.19073	2.1
654.27808	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	654.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	9.1
57.07077	2.2
67.05499	18.8
69.03431	8.5
69.07070	27.3
78.74431	1.5
79.05497	4.2
81.07065	38.7
83.08627	8.2
85.02895	15.9
91.05490	2.8
93.07037	19.0
95.08604	60.0
97.02889	2.4
97.10153	3.4
105.07034	20.9
107.07906	2.8
107.08597	36.3
109.10152	88.7
111.08044	2.5
117.07030	2.7
119.08577	33.4
121.10129	46.0
123.11708	21.4
125.09607	10.4
131.08565	12.9
133.10159	22.4
135.11708	20.8
137.13283	9.5
143.08548	8.7
145.04953	3.1
145.10136	22.7
147.11697	35.3
149.13263	20.9
157.10126	12.1
159.11676	28.9
161.13228	39.1
163.14809	17.9
169.10039	2.8
171.11674	12.9
173.13249	29.7
175.14844	19.1
177.16344	11.1
183.11719	4.1
185.13232	12.9
187.14848	23.5
189.16347	11.1
191.14246	2.7
191.17764	2.3
195.11769	2.1
195.25850	2.1
197.13281	4.0
199.14771	15.0
201.16380	18.8
203.14236	3.2
203.18036	8.2
205.16107	2.1
209.13420	4.3
211.14751	4.4
213.16367	11.0
215.17966	4.0
217.15916	3.7
217.19547	9.3
223.14838	2.4
225.16313	8.6
227.18008	14.0
229.19548	3.2
231.17613	2.4
231.21179	2.4
239.17996	7.8
241.19487	9.4
243.21001	9.3
251.17717	2.9
253.19547	4.1
255.17317	2.3
255.21069	4.2
267.21112	14.2
269.22556	2.7
279.20819	2.2
293.22562	4.4
295.24167	7.9
297.21982	2.1
313.25156	12.3
315.23157	9.5
321.25699	3.2
329.24643	4.0
357.27994	2.8
365.28436	7.6
381.31711	2.5
393.35098	9.5
403.33603	30.9
403.38678	2.9
421.34692	100.0
439.35632	78.0
583.39581	8.1
601.40906	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	655.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03864	1.1
54.37655	1.0
56.47621	1.1
158.20303	1.3
265.13510	2.0
265.49258	1.1
277.13364	1.5
279.24463	1.2
316.15863	1.8
331.11884	1.7
353.71625	1.4
459.22141	2.0
460.22391	1.2
489.19019	17.6
491.20981	2.1
501.22964	1.8
503.21069	2.0
504.21738	2.3
517.18811	1.4
521.21838	5.2
531.20349	2.6
535.22827	1.7
545.22119	1.8
548.20886	2.5
563.22217	1.6
605.23468	2.8
623.24805	6.8
637.26483	9.9
655.27606	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36665	0.5
66.64433	0.5
67.41991	0.6
87.40942	0.6
89.13703	0.8
90.47624	0.6
193.88333	0.7
234.18781	0.7
275.07852	0.7
301.92450	0.9
385.06396	0.7
449.23376	2.6
463.21719	1.0
475.21078	0.9
477.22559	1.0
479.24451	10.7
481.21387	0.9
481.27084	10.0
486.21393	0.7
491.24515	13.2
492.25073	1.3
493.22464	6.3
495.23895	7.7
501.22678	5.8
503.20767	6.1
509.25650	4.0
519.23853	9.9
521.21716	4.4
524.27692	0.7
535.23444	7.4
550.25824	14.8
551.26520	7.6
553.24359	24.5
568.26819	22.1
623.25476	1.1
637.26855	4.7
648.14386	0.8
655.27618	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31577	2.2
62.43328	2.3
65.73466	2.5
76.69067	2.3
86.07834	2.7
91.15099	2.6
96.58746	2.7
143.42055	3.3
195.92438	2.9
213.22682	2.7
382.44849	3.0
402.14008	3.1
447.21561	13.3
461.19626	5.1
475.21048	17.0
476.21805	4.1
477.22812	4.6
535.23383	3.7
547.23602	3.5
563.26013	14.0
579.26288	3.8
622.27917	100.0
638.26990	5.1
655.28516	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	655.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22962	1.4
51.26083	1.5
84.93625	2.1
97.41412	1.6
106.74247	1.8
169.61755	1.9
212.42645	2.1
265.13516	4.0
287.39987	2.4
311.06314	2.1
401.97824	2.3
413.11719	1.9
489.19318	12.2
491.20752	2.3
503.20947	2.6
521.22107	3.8
547.23071	2.9
548.21027	2.1
549.21643	2.9
605.24707	6.4
637.26941	3.2
655.16663	3.2
655.27692	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
107.53742	1.1
142.71042	1.1
169.96809	1.1
177.73045	1.0
178.67166	1.1
200.99890	1.2
215.92117	1.3
223.71759	1.3
253.13268	1.9
291.15057	1.2
293.09320	1.4
447.21759	6.7
460.18710	1.3
461.19849	2.0
475.15771	1.3
475.21439	20.5
476.22327	8.3
477.23212	9.2
489.23007	1.8
503.20532	5.7
519.24182	2.0
535.23242	7.9
547.23340	5.4
561.23370	1.3
563.26489	13.3
579.26111	2.2
593.27161	1.3
595.25439	2.5
605.23657	1.5
607.24860	1.9
609.27203	1.7
622.27887	100.0
623.24988	1.8
627.27844	2.1
637.26904	1.9
638.27417	11.6
655.28149	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	655.277
Annotation	Unknow
Peak:m/z	Relative Intensity
62.97949	0.6
67.05517	0.7
77.37722	0.7
79.73838	0.6
133.57527	0.7
143.19377	0.7
433.20636	1.4
447.22244	4.1
462.20746	3.7
463.21521	1.3
465.19214	0.8
473.19785	0.9
474.20508	1.4
475.21552	10.5
488.22232	0.9
489.23322	14.4
490.23807	3.0
491.20984	3.7
492.21481	1.6
499.21378	1.1
500.20679	0.9
501.22894	1.3
502.20184	3.6
503.20786	3.3
504.21609	1.3
505.22742	1.4
506.23169	1.6
507.23605	1.1
508.20914	3.1
517.22723	6.4
518.23291	1.4
521.21545	3.0
521.25476	3.2
523.23236	0.9
533.22150	4.3
534.22968	7.3
535.23505	1.4
548.24231	13.2
549.25482	8.4
550.24756	1.0
553.24518	3.0
559.23328	1.6
561.21509	3.1
562.22119	19.7
565.23969	1.2
567.26086	3.0
568.26819	3.4
576.23859	1.2
577.15222	1.5
577.24438	42.8
590.21497	1.7
595.25085	2.7
605.24567	1.6
623.25354	2.8
635.97125	0.8
637.26593	24.3
655.27637	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10297	1.1
53.63320	1.0
65.56074	1.2
80.93482	1.3
92.53549	1.2
128.98700	1.4
130.60117	1.3
144.39389	1.2
190.91687	1.6
207.60045	1.4
298.54132	1.3
400.87134	1.3
459.21332	2.0
475.21030	5.5
489.22849	1.8
490.23685	1.7
491.20581	11.8
499.21445	11.1
503.21204	13.6
517.22217	2.8
527.20734	7.3
529.22418	10.2
573.21088	1.8
605.24030	12.0
623.24994	100.0
655.27673	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	655.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
86.30985	2.9
87.09508	3.2
92.20930	5.1
108.29073	2.9
132.27704	3.1
154.86488	3.0
221.55354	3.1
232.89604	3.1
273.67130	3.6
435.21945	16.7
436.22366	4.7
449.23398	17.8
463.21246	5.3
476.22040	5.9
477.22656	12.9
491.24768	4.6
493.22189	4.9
508.24435	7.7
509.25653	59.9
595.25159	14.7
611.28546	5.1
623.25165	25.1
655.27527	100.0
655.48877	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	655.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84366	1.1
74.98968	1.3
92.20886	1.9
98.23168	1.2
138.67406	1.3
225.13884	2.4
239.15358	2.0
253.13289	2.3
266.13892	1.6
267.14844	2.8
267.83417	1.3
313.41245	1.6
325.33096	1.4
395.50500	1.4
437.23132	1.7
449.19684	2.6
463.21335	13.3
465.22870	1.7
466.19626	2.3
475.21155	5.5
476.21750	1.4
477.22842	7.2
495.23282	2.3
519.23785	2.2
535.26099	2.4
540.27228	1.9
550.25452	5.8
551.26190	7.3
563.26422	2.1
568.26410	8.8
596.25696	8.1
611.28137	1.7
612.25092	1.7
622.27576	3.1
626.27454	2.1
627.27271	5.4
637.26086	12.2
655.27478	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52650	0.5
62.12324	0.5
75.78335	0.5
82.22190	0.5
117.03897	0.7
149.63278	0.6
151.85489	0.7
162.45143	0.6
385.86780	0.6
394.47946	0.6
433.20215	1.2
434.20978	2.4
435.21683	4.4
462.20511	0.7
463.21188	2.3
477.22922	2.9
479.24338	0.8
495.24176	1.2
508.24850	4.1
509.25546	2.8
521.25623	17.0
535.27271	0.8
549.24976	29.9
549.33044	1.1
553.24652	1.2
563.26624	5.8
581.27966	8.1
591.27045	0.8
595.29297	20.1
607.29401	0.9
609.27087	22.8
623.28680	2.4
655.31201	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07029	0.9
93.30942	0.9
132.79041	1.0
148.31950	0.9
149.04521	0.9
171.99297	1.0
190.17656	1.0
289.59528	1.0
306.88641	1.0
433.24078	17.3
435.21793	3.9
447.25598	2.3
448.26544	2.8
462.20572	1.3
463.21115	2.4
473.23276	1.2
474.24188	1.5
475.21335	1.1
477.22983	9.7
479.24481	2.1
489.22879	1.5
491.24588	11.2
492.25281	31.4
495.23953	7.0
501.22809	3.7
503.20557	1.4
505.26636	1.3
506.26691	3.8
508.24539	5.4
509.25125	5.4
517.22083	1.9
519.23779	1.4
521.25940	11.2
524.24249	19.0
535.23248	8.1
537.25018	4.1
545.21942	1.9
549.24982	37.0
550.25745	26.0
553.23822	7.3
562.21448	1.4
563.26721	3.5
567.26318	1.6
568.26636	2.4
577.24200	4.8
581.26752	2.1
595.29254	26.2
609.27240	13.6
623.24908	5.1
625.27203	1.2
637.26532	45.5
655.30664	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05045	4.1
56.49376	0.7
57.03463	0.9
60.04538	1.0
60.05660	1.2
61.02939	4.1
67.05527	1.2
69.03419	4.2
70.06594	5.7
72.04526	4.6
72.08165	0.8
73.02924	3.6
74.02430	0.8
74.06099	4.1
76.05133	19.7
77.18550	0.7
80.05038	1.2
81.03416	7.6
83.08640	3.6
84.08138	2.0
85.02925	5.2
86.06099	0.7
86.09714	1.4
91.03967	4.3
91.05492	1.0
95.04975	1.9
96.05618	34.5
96.06223	1.4
97.02888	4.9
97.06430	3.3
98.07193	1.9
99.05598	0.8
102.05564	1.4
109.10210	1.0
110.07197	1.4
111.08112	3.0
116.08256	4.9
118.05032	6.3
119.08604	0.9
120.06596	3.3
122.07146	0.8
127.03946	1.0
128.08208	8.0
129.10257	1.1
135.07721	3.4
147.11716	1.7
157.10060	1.5
159.08847	1.0
160.07162	13.4
173.11758	0.9
175.11223	2.8
177.09845	17.4
184.31657	0.8
192.13918	3.6
193.12254	16.4
211.13350	3.5
232.14560	4.9
250.15562	1.3
264.59973	0.8
267.15985	3.9
284.18585	1.3
324.19092	0.9
342.20432	3.2
360.21249	9.4
426.22690	0.8
428.97940	0.9
455.56461	0.9
461.26050	4.4
623.31439	13.0
655.34039	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.366
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12062	1.8
67.05500	1.9
81.07088	4.2
83.18696	2.0
85.02927	2.6
95.08639	2.6
96.24587	2.1
100.22888	2.1
103.03932	4.9
109.02886	2.7
133.10120	2.6
185.04172	3.7
191.39401	2.3
218.92552	2.2
229.38377	2.1
299.00662	2.2
331.26157	4.6
342.40903	2.3
347.09561	4.4
349.26819	2.4
405.80923	2.3
493.30997	2.4
571.66809	2.4
593.36572	2.6
655.24396	16.6
655.36523	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3897
Annotation	di-trans,poly-cis-Heptaprenyl diphosphate
Peak:m/z	Relative Intensity
51.44543	1.2
55.05514	8.4
57.03437	3.4
57.07084	66.9
61.02933	15.6
66.72909	1.6
67.05504	14.8
67.07423	1.6
69.07072	12.4
71.08631	52.5
73.02909	6.6
81.07068	24.7
83.04980	36.8
83.08624	20.0
84.39590	1.4
85.02911	20.6
85.10184	34.4
91.03954	20.3
95.08607	40.6
97.02876	10.2
97.10156	8.5
99.11761	1.4
106.76674	1.8
109.10142	25.7
111.11690	1.7
121.10114	1.7
123.11707	9.2
127.03899	7.5
133.10100	2.0
142.92534	1.7
145.04942	8.9
147.11743	2.9
163.06009	10.3
175.01532	21.6
181.02605	37.2
193.44904	1.5
227.04675	19.8
231.07706	1.9
239.04684	2.1
239.23622	14.5
257.05725	3.2
257.24854	2.7
283.10809	2.9
287.87415	1.5
307.00455	1.8
313.11951	25.3
313.23694	3.7
313.27344	100.0
331.28412	75.4
369.18295	6.5
422.62628	2.0
452.66464	1.7
543.18402	2.1
599.24847	7.2
655.31616	53.4
655.41644	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	655.4909
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20684	0.8
62.14882	0.8
63.12230	0.8
67.05508	1.3
69.07088	1.0
77.63350	1.0
81.07085	1.3
91.41999	1.0
96.97416	0.8
107.51433	1.2
110.18732	1.0
119.08518	1.2
120.08940	1.1
124.94440	0.8
127.48405	0.9
167.36935	1.0
168.40031	0.9
259.38916	1.0
265.57794	1.1
302.95319	1.0
477.47711	1.1
655.49048	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89977	0.3
51.64053	0.3
57.14378	0.4
63.95075	0.4
67.23748	0.4
92.21304	0.5
97.10218	0.5
103.03959	0.6
108.46818	0.4
122.46019	0.4
129.77368	0.4
157.96072	0.5
210.17113	0.5
375.99524	0.5
466.15359	0.9
480.17065	2.2
481.17087	3.9
483.16315	0.6
494.14310	5.8
508.16522	0.7
509.16986	55.0
510.17719	14.7
511.18848	0.5
521.17102	0.5
522.18396	0.8
523.18250	1.8
527.17908	2.4
536.16748	0.5
537.16327	4.7
540.18713	2.8
541.16168	0.8
550.18896	0.7
551.18304	0.7
554.16736	10.7
564.18433	0.7
569.19464	2.6
572.18756	0.6
596.21246	10.8
656.23523	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	656.5095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32865	0.9
55.05519	4.1
56.12802	0.8
57.03437	1.1
57.07079	10.1
63.44650	0.8
67.05525	3.5
69.07064	4.8
71.08640	8.4
76.70135	0.9
78.91974	1.0
81.07071	12.0
83.08630	4.9
85.10172	4.4
93.11916	0.9
95.08599	6.8
97.10190	2.1
105.41010	1.0
107.08580	1.4
109.06519	2.0
109.10162	5.4
110.70605	1.1
111.04435	15.4
121.10133	2.1
123.11691	2.6
125.05997	4.3
133.10129	1.7
135.08095	2.0
135.11685	5.1
137.05981	100.0
137.13214	4.4
139.87695	1.1
147.11693	6.7
149.09608	1.9
161.09627	7.1
161.13257	2.1
163.11172	1.8
165.09160	2.6
175.11227	5.3
179.10699	2.1
203.17960	7.0
213.16335	1.4
231.17410	8.5
241.15923	1.4
241.80305	1.0
244.36929	1.1
249.18489	5.0
251.40417	1.1
277.17923	18.4
313.27325	19.0
351.21655	15.1
378.55548	1.2
383.81915	1.3
589.44641	77.6
606.54761	1.3
621.47314	17.6
656.50354	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	656.5095
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07090	4.7
67.05482	3.3
69.07070	2.7
70.94122	1.8
71.08630	8.1
81.07052	13.1
83.08614	2.1
92.21394	7.5
95.08603	11.5
109.03304	2.1
109.06548	2.4
111.04442	17.3
111.34688	2.1
125.05983	2.3
135.11723	2.3
137.05978	100.0
147.11725	4.8
149.09639	4.1
161.09648	2.9
163.11086	2.0
171.11632	2.1
179.10619	2.6
203.17856	4.0
213.16435	2.4
223.80594	2.5
231.17497	8.9
249.18463	2.5
277.18094	15.1
313.27316	16.9
351.21573	4.7
589.44666	76.7
621.46863	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	656.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48167	17.4
57.03444	21.9
57.07087	27.3
67.05505	88.0
69.07082	28.1
71.08632	22.6
79.26006	21.0
81.07055	98.9
83.08629	31.9
93.07060	21.9
95.08598	100.0
109.06513	18.3
119.08587	22.8
124.25333	19.4
131.08531	22.2
133.10147	20.7
153.95641	21.4
154.24184	19.0
159.11668	20.1
177.07999	19.6
200.10196	21.1
201.34111	23.0
313.27328	80.2
313.44308	23.3
347.05179	19.7
563.27979	22.9
603.46313	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	656.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20471	1.9
55.46226	2.0
57.07085	40.5
69.07053	4.3
71.08636	38.1
73.06554	3.9
83.08612	3.8
85.10196	17.8
87.04472	3.7
89.06036	100.0
97.10171	5.6
121.59460	2.1
133.08621	25.5
161.55724	2.2
177.11226	15.0
221.13803	3.3
282.54822	2.2
313.30945	10.6
340.55875	2.4
357.33624	3.6
415.25192	3.7
639.50348	52.4
653.17963	2.6
656.53186	57.3
682.46313	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	657.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76398	0.5
50.78894	0.5
52.86819	0.5
79.42982	0.7
88.74195	0.7
92.72765	0.6
101.66119	0.7
108.60436	0.6
110.52271	0.6
118.21111	0.6
126.55158	0.6
152.65038	0.6
221.82803	0.8
303.55933	0.8
342.68222	0.7
427.17929	1.1
435.41031	0.7
455.17203	15.2
482.16202	2.8
483.16647	36.4
487.15619	1.1
499.16177	4.7
509.17651	0.8
511.16266	3.0
519.16431	0.9
523.16254	3.7
527.15601	74.2
537.17670	1.5
538.18500	3.1
539.19659	0.9
542.21295	1.3
569.20306	1.1
586.20477	2.9
598.22601	1.6
614.20264	1.1
629.22321	15.5
639.23969	0.8
657.21857	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	657.219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37579	0.2
53.24410	0.2
66.80762	0.3
78.11053	0.3
89.31394	0.2
110.33992	0.3
147.69975	0.3
240.55579	0.3
269.06714	0.4
277.24640	0.3
332.52115	0.4
426.17429	0.3
427.17654	1.8
428.18365	0.4
455.17145	16.8
456.17896	1.3
482.15771	1.9
483.16656	32.1
486.19058	0.4
495.16458	0.5
499.16104	5.7
500.16763	0.5
509.17981	0.6
511.15771	3.0
512.13953	0.3
519.16699	1.3
523.16003	2.8
527.15637	69.3
536.16553	0.4
537.17731	2.8
538.18390	2.4
539.19965	0.4
542.22107	1.0
545.16644	0.4
547.15491	0.4
555.18353	0.4
569.20074	1.9
579.18811	1.2
586.20721	3.2
614.20184	1.9
629.22467	16.5
657.21942	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55490	0.4
51.92115	0.4
61.81295	0.4
62.62117	0.5
78.08310	0.4
93.07053	0.7
100.19564	0.5
119.08561	0.7
134.38193	0.5
135.11693	0.5
157.48424	0.5
167.58194	0.6
175.83066	0.6
192.03874	0.5
262.14655	0.6
427.17841	0.9
428.18314	2.2
455.17163	18.2
482.15643	1.7
483.16641	30.6
499.16418	4.9
500.17178	0.8
509.17947	2.3
510.17978	2.8
511.16211	3.5
513.18042	0.9
519.16748	2.2
523.15979	2.9
524.17657	0.7
527.15649	67.5
537.18524	3.5
538.18585	2.3
545.16687	1.1
569.20538	2.4
586.20917	2.4
614.20026	2.5
629.22559	14.8
639.27350	0.7
657.21912	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	657.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
62.03567	1.0
62.30567	0.9
63.69990	1.0
67.05547	1.0
109.10233	1.2
139.93553	1.0
224.66924	1.2
236.99695	1.1
374.87424	1.0
416.66812	1.3
455.18320	2.1
469.20618	1.3
475.21103	1.6
483.16821	2.2
505.20877	1.4
507.18588	4.4
523.17859	6.0
524.18903	5.4
525.19452	5.2
527.15558	7.1
533.19891	5.5
534.16852	2.4
537.19458	3.9
541.19641	1.1
551.20764	3.9
563.20959	4.3
569.22388	4.0
579.20691	12.8
580.97705	1.5
581.09106	1.3
597.21606	2.2
598.22125	5.5
629.21436	1.4
639.23114	5.1
657.23553	100.0
688.50555	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	657.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68857	0.2
55.52406	0.2
67.81017	0.2
81.07007	0.9
84.13025	0.2
85.02870	0.2
91.05423	0.2
97.02859	0.3
103.03923	0.3
105.07005	0.3
121.10059	0.3
123.11671	0.2
127.03862	0.5
147.11623	0.9
167.03392	0.5
194.44879	0.2
270.05185	0.3
285.07568	100.0
639.24182	1.0
657.25427	16.3
657.37994	0.6
657.40204	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	657.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.03511	0.4
66.28460	0.4
67.20106	0.5
68.56987	0.5
74.36645	0.5
95.95524	0.6
122.51250	0.6
279.00583	0.6
282.29202	0.6
331.09305	0.5
432.19513	0.7
433.20108	0.8
449.19641	2.1
458.21277	0.6
459.22263	1.3
460.18933	1.0
462.20578	1.0
475.20978	0.8
476.22427	0.6
477.23260	6.8
478.20065	0.8
479.24896	0.7
483.16803	2.7
487.21658	2.4
488.22934	0.7
489.22876	2.6
491.21429	0.8
495.24136	3.1
501.19144	0.8
505.22833	5.9
506.19553	0.9
511.19949	1.2
515.21063	2.9
517.22400	2.9
519.20197	1.0
523.23602	2.7
524.21155	0.6
525.24725	0.9
527.15656	6.2
532.21759	1.2
533.21802	12.0
545.21649	2.3
547.19653	0.9
550.22504	0.6
551.22913	4.8
561.21246	5.6
579.22137	4.6
589.21204	1.2
593.24036	1.0
598.24835	1.0
607.22229	2.8
629.22845	0.9
639.24207	4.8
657.25543	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
133.92377	0.2
137.02333	0.9
170.49217	0.2
225.05354	1.9
229.08578	0.4
253.04913	2.8
270.05170	7.7
282.42184	0.2
285.07553	100.0
329.90558	0.3
582.66687	0.3
639.24060	0.9
657.25183	5.1
657.39185	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	657.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
82.29027	0.7
83.23427	0.6
97.02914	0.8
99.78581	0.7
119.84735	0.6
239.11784	1.4
290.26974	1.6
351.38815	0.7
423.22235	0.8
449.19812	1.0
450.20572	1.3
451.20633	0.8
458.20822	0.7
459.21820	3.1
464.72708	0.7
471.21893	0.7
473.19424	0.8
474.20953	0.7
476.22241	1.0
477.23557	6.1
478.19577	1.4
483.16486	1.5
487.21021	5.3
488.22391	0.8
489.22604	2.9
491.20621	1.3
492.21573	1.0
495.23538	3.3
502.20114	1.3
505.21976	5.7
506.20047	0.8
510.22043	1.2
515.20764	4.4
517.22131	3.2
518.22882	1.6
519.23938	1.5
520.20514	0.8
523.22778	3.6
527.15503	5.4
532.21198	1.2
533.21869	15.3
535.23676	1.1
546.22980	4.7
550.21259	0.8
551.23145	2.7
561.21240	5.4
569.24744	1.1
579.26166	24.0
589.20520	3.6
593.23389	0.9
607.22882	3.0
629.22308	1.5
639.24927	13.5
657.25970	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03534	1.9
51.11544	2.5
52.28543	2.0
53.04729	1.9
64.79536	2.2
67.06531	2.2
75.64151	2.5
77.59032	2.5
81.07105	3.6
83.08614	2.8
95.08613	4.0
96.24897	2.6
96.89822	2.5
263.91165	2.4
294.91669	2.5
377.62250	2.7
437.19913	2.7
438.20264	6.2
439.21408	4.2
449.23471	15.2
452.21786	3.4
453.22821	3.5
462.20724	3.5
465.18478	24.5
477.23059	5.1
479.20840	9.7
489.19061	4.3
493.22675	28.4
497.22095	4.2
507.20218	5.2
508.20877	4.5
508.58368	3.1
511.23007	11.6
525.21393	10.0
567.22516	5.4
595.25262	5.6
597.24005	22.0
607.21344	2.7
613.26251	23.9
625.22809	30.9
639.24506	100.0
657.25580	43.6
657.41760	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	657.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21507	1.1
67.05508	2.1
69.07048	1.7
73.43797	1.6
79.05524	2.1
79.35299	1.6
81.07078	2.3
92.21573	1.4
124.07591	5.9
182.69711	1.4
225.14001	1.5
230.37022	2.0
240.12607	2.1
253.13252	21.1
367.12833	2.1
400.16574	14.3
428.12527	1.9
442.13950	1.8
451.21814	1.7
477.18500	1.9
489.19308	3.8
491.20749	6.8
505.22638	15.3
517.19049	7.0
519.20667	3.0
520.20349	1.7
533.21997	2.6
549.21246	13.7
562.18774	6.3
563.18958	12.0
564.23029	2.2
577.20856	17.9
591.22754	3.2
607.25580	42.4
625.26416	7.8
657.29370	100.0
672.92993	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	657.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73457	0.6
58.59071	0.6
59.11073	0.6
69.07053	0.8
70.18863	0.7
71.66818	0.7
77.20415	0.7
109.39275	0.7
131.49821	0.7
149.71365	0.8
215.98302	0.7
247.64587	0.9
295.43427	0.8
339.04984	0.8
405.52594	0.8
449.19562	1.2
455.17166	7.7
459.21686	3.0
473.19608	1.2
474.20560	0.9
475.20654	1.1
477.23050	9.4
483.16608	14.7
487.21011	3.2
489.22711	1.8
495.23804	4.6
499.15948	1.4
503.20657	3.4
505.22043	10.3
506.22672	3.0
510.17181	1.1
511.16693	1.3
515.20618	1.5
517.22327	4.3
523.23431	6.1
524.24017	5.3
525.24738	1.5
527.15607	25.9
527.23456	1.2
533.21027	10.7
547.23419	1.6
548.24146	1.4
551.24933	4.0
552.23425	10.3
561.21265	4.0
563.26282	1.5
565.24493	5.6
567.25800	4.6
569.27319	3.4
579.26324	6.4
593.23682	7.1
597.26331	1.1
598.27405	5.0
607.25928	5.5
611.24915	4.3
625.26532	1.6
629.22687	7.4
639.25854	4.1
657.20453	17.9
657.30304	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74831	0.5
53.99483	0.4
56.36327	0.5
67.05476	0.5
274.99536	0.6
316.76553	0.5
330.02063	0.6
428.18900	0.8
449.19620	0.7
455.17126	6.3
455.23694	1.1
459.21808	2.6
461.19400	1.0
477.23370	5.4
478.19672	1.1
483.16647	10.7
487.21353	1.4
489.23291	4.1
495.23752	2.9
499.16159	0.8
503.20987	2.9
505.22479	8.1
507.24033	0.8
509.22083	1.1
510.17596	0.7
511.16208	1.0
511.23624	0.9
515.20770	1.2
517.22290	4.0
521.25330	0.7
523.16473	0.7
523.23370	6.7
524.23901	4.6
525.24536	2.3
527.08069	0.9
527.15625	22.0
531.24237	1.1
533.21106	9.4
534.22656	0.7
535.23737	1.0
537.25262	2.0
547.23254	2.3
549.24603	0.8
551.23419	1.1
552.23663	8.0
561.21265	5.3
563.26385	2.2
565.24884	4.5
566.24915	0.8
567.25958	3.5
569.27386	3.0
575.23132	0.9
579.25385	5.6
583.25983	0.9
593.23932	7.4
597.26776	2.6
598.21277	1.5
598.28876	1.9
607.25763	4.5
611.24957	4.8
625.26263	1.0
629.22314	5.7
639.27954	4.6
657.30164	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	657.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69469	0.5
50.83269	0.5
51.53553	0.5
53.44904	0.6
107.92487	0.6
161.46648	0.7
164.70242	0.7
378.71231	0.8
451.20923	1.1
455.18304	0.9
455.24420	1.2
459.21786	3.4
461.19519	0.9
477.23129	6.1
478.19278	1.1
479.20660	0.7
483.16788	0.9
487.21368	2.3
489.22742	3.6
493.22571	0.9
495.23959	2.6
503.20810	4.3
504.22253	0.9
505.22159	7.7
506.22650	0.9
507.24167	2.4
508.24695	0.8
509.21390	1.0
515.21564	0.9
517.22327	7.8
521.22015	0.8
523.16766	1.4
523.23920	5.7
524.24536	5.7
525.73792	0.7
527.15509	4.2
533.21808	15.4
534.16992	0.9
547.23840	1.4
548.24426	1.1
549.24805	0.7
551.21686	3.4
552.23724	5.9
561.20874	4.8
563.26447	4.2
565.24475	1.2
567.25714	3.9
569.27808	1.2
576.75861	0.9
579.19373	2.3
579.25659	7.8
593.24243	5.1
597.27283	1.4
598.21204	1.8
598.28619	1.1
607.26282	5.0
611.24866	3.3
639.27454	5.7
657.30280	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
61.59182	1.0
62.00309	1.0
67.05468	1.4
79.23551	1.1
87.68501	1.0
105.07090	1.4
109.10162	1.5
135.39127	1.1
142.84691	1.2
149.61971	1.2
218.42319	1.1
320.08585	1.2
395.21683	1.4
400.21060	1.4
441.22925	2.6
455.17291	2.6
455.24063	2.5
461.19281	1.6
474.20062	1.3
477.22620	4.8
477.33597	4.7
483.16507	7.8
487.21127	2.5
489.22519	5.5
506.23041	5.0
509.25174	1.9
519.23761	2.2
521.21729	1.3
527.15753	24.3
533.21594	10.5
537.24524	5.6
547.23553	2.5
548.23511	4.4
549.23383	1.4
551.23047	1.8
569.27295	8.5
579.26331	22.2
597.23956	1.7
598.27515	2.6
607.25165	6.9
625.25348	2.3
629.22357	4.7
639.26630	6.7
657.20520	14.5
657.28412	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39593	0.4
52.15905	0.5
60.82663	0.5
66.09474	0.5
79.39768	0.5
136.39949	0.5
143.36494	0.6
152.58195	0.5
162.47856	0.5
169.93114	0.6
230.19774	0.6
395.22247	0.9
423.21472	0.8
441.22757	2.8
455.17020	2.7
455.24185	2.0
456.25116	1.2
459.21609	1.1
461.19373	2.4
461.24100	0.9
462.20193	1.3
475.21255	3.2
477.22656	2.4
479.24399	1.1
483.16519	5.7
488.22018	0.9
489.23605	8.6
491.24524	0.7
493.22021	6.2
494.22745	2.3
499.15701	0.6
505.21747	0.8
506.23370	4.4
507.23563	1.0
509.25912	1.3
510.22336	2.7
511.23004	0.9
517.21869	0.9
519.24316	10.3
520.25433	1.4
523.23059	0.7
527.15826	8.6
533.21356	4.4
534.22626	0.9
535.22937	1.3
536.23730	0.8
537.25116	4.1
539.25885	1.0
547.23645	6.5
548.24353	6.1
551.26306	3.5
561.23718	0.6
563.26563	0.8
565.24231	0.7
569.27667	4.8
576.23193	0.7
579.26038	48.9
598.28125	1.3
607.25494	14.0
614.19922	0.7
629.22113	1.4
639.28137	19.3
657.29822	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
64.07233	0.6
86.64321	0.6
141.66579	0.7
188.21730	0.8
198.72923	0.7
203.10248	0.8
240.55840	0.8
247.92569	0.8
393.16669	0.8
440.38712	1.0
459.21976	2.8
461.19464	1.4
466.22449	0.8
476.21561	0.8
477.23267	6.9
483.16901	2.5
487.21286	1.5
489.22717	3.7
495.24005	1.4
496.15924	5.3
503.20798	5.1
505.22217	7.0
507.24014	1.6
511.18054	1.4
517.22467	5.4
523.23718	5.2
524.24506	5.4
525.24615	1.4
527.15619	3.8
533.21869	11.3
535.23578	0.9
547.22736	1.5
549.24469	0.9
551.23322	1.3
552.23578	6.4
561.20795	6.2
563.26447	3.7
565.24719	1.6
566.25153	1.0
567.25995	1.8
579.26605	8.5
589.23779	0.9
593.23828	5.9
598.22571	22.7
607.25879	5.8
611.24835	1.5
621.23505	1.4
639.28784	6.3
657.29803	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	657.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05519	0.8
70.07680	0.5
75.04489	15.7
75.83993	0.5
79.05515	0.6
89.05647	0.6
91.64003	0.6
92.21502	0.8
95.08624	0.7
98.97588	0.6
104.14005	0.5
109.10112	0.7
134.66116	0.6
145.10040	0.6
145.36488	0.6
155.06279	0.6
318.20929	0.7
336.22147	5.8
378.23227	5.7
378.27545	0.6
422.21188	0.8
427.51184	0.7
450.20264	1.0
451.21426	1.0
454.20056	0.8
459.22498	0.9
462.20413	0.9
477.19101	2.4
477.23798	1.1
478.20084	2.2
479.20813	0.9
487.21121	1.0
494.23679	0.8
500.24307	0.8
503.20862	2.4
504.21436	0.9
505.22101	10.1
517.22662	2.2
519.20184	1.0
520.21375	0.7
523.23431	8.0
524.24042	4.8
525.24780	1.0
533.25012	4.0
547.23560	1.0
551.22186	3.8
552.24097	3.0
561.21460	1.1
563.26715	4.6
565.24329	1.0
569.27271	1.0
579.25995	8.8
593.23932	1.0
596.26489	0.9
597.27496	0.8
598.28021	3.1
607.25977	4.4
625.26178	2.5
639.27814	7.4
657.29193	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56492	1.0
60.90749	1.0
66.42512	0.9
73.82931	1.0
75.72913	1.2
103.73575	1.0
126.13541	1.2
128.87624	1.3
129.28326	1.1
188.30063	1.1
216.23845	1.5
231.81749	1.1
239.38359	1.4
407.22427	2.7
410.07779	1.2
421.23694	1.5
422.21042	2.0
423.21695	16.0
435.21683	2.8
436.22476	5.8
437.23355	6.0
449.23456	2.0
450.24530	4.2
451.21237	5.5
461.23340	5.2
464.21933	2.1
465.22745	5.5
467.24417	5.5
468.24921	2.3
477.22983	7.6
478.23679	4.8
479.24298	8.6
481.21625	1.7
493.21921	2.2
494.26346	5.8
495.23639	13.0
496.24200	4.8
505.22214	1.5
508.24850	15.0
509.25626	14.7
510.26285	10.0
511.27295	14.2
521.25562	5.8
522.26270	1.8
523.23431	5.5
537.25244	14.9
538.25079	5.1
579.24408	1.4
581.27417	6.8
597.27142	11.3
598.27295	4.7
613.30176	49.2
625.26593	100.0
657.29199	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	657.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64087	0.9
76.68023	1.1
115.04015	0.9
144.72722	1.0
150.29709	1.0
223.20071	1.3
270.08829	1.1
287.58612	1.0
406.22031	1.2
409.20264	1.3
413.70203	1.1
421.24124	1.6
422.20856	1.4
423.21844	11.3
435.21655	1.5
436.22485	2.2
437.23328	1.8
447.21722	1.9
450.20227	1.3
450.24481	1.5
451.20776	1.8
454.20023	2.1
456.22629	1.7
461.23587	8.5
465.22809	4.0
467.24387	2.4
468.25360	3.4
477.22757	5.4
478.23926	2.1
479.24228	7.0
493.22296	2.2
494.25751	2.3
495.23395	13.2
496.24225	3.9
508.24814	15.0
509.25589	14.0
510.26120	9.8
511.27652	10.1
521.25354	1.6
522.26318	1.5
523.23187	5.9
525.28210	1.4
537.25092	11.7
538.25525	2.0
551.21680	1.8
581.27130	5.9
597.27002	11.2
613.20972	1.6
613.30237	34.5
625.26532	100.0
657.29248	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	657.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56774	0.3
81.21483	0.3
100.82010	0.3
108.85019	0.3
204.13644	0.5
237.13591	0.6
249.13789	0.6
273.13824	0.5
275.15265	0.6
287.15128	0.4
288.16058	1.6
291.14587	0.5
330.15942	0.4
332.17618	0.7
377.17584	0.4
379.19119	0.8
389.32739	0.4
391.19315	1.3
392.19940	0.4
395.17715	0.4
395.22626	0.7
405.21030	0.8
406.21667	1.7
407.22574	3.8
409.20108	1.8
410.81729	0.4
419.22748	0.5
420.23129	0.6
421.24640	2.6
422.21060	2.8
423.21826	14.5
424.22409	1.8
428.23254	0.5
433.20096	0.6
435.21753	3.3
436.22791	4.2
437.23676	3.4
438.21283	0.4
442.21399	1.4
446.13663	0.4
446.21429	0.6
447.21765	1.8
448.22699	0.6
449.23978	3.3
450.24908	3.5
451.20547	4.6
453.23325	0.7
454.19998	2.9
456.22925	0.8
461.23517	7.0
462.21127	1.8
463.21301	1.6
464.22412	2.7
465.22897	5.4
466.24078	2.4
467.24533	4.9
468.25250	3.9
469.26202	0.5
476.22391	1.7
477.22906	7.3
478.24023	3.9
479.24808	6.4
480.23022	1.6
481.22568	3.5
482.23386	1.3
483.23889	0.5
489.22928	0.4
491.20926	1.8
493.22739	2.6
493.25967	3.4
494.26968	4.1
495.23648	14.7
496.24631	3.8
505.22394	2.3
506.23743	0.7
507.24298	2.4
508.24786	17.8
509.25586	16.0
510.26361	12.7
511.27341	13.0
519.23926	2.1
521.25543	4.1
522.26825	2.8
523.23267	5.5
525.28406	1.5
526.27045	0.4
535.27228	0.5
537.25098	14.7
538.25482	5.3
539.26599	1.3
551.23090	1.3
553.27966	1.7
555.25964	0.7
565.24622	1.8
570.28369	1.7
581.27814	3.9
583.25714	1.5
593.25049	0.4
597.27057	11.3
598.28040	1.4
613.30212	42.1
625.26569	100.0
657.29199	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	657.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21507	1.1
67.05508	2.1
69.07048	1.7
73.43797	1.6
79.05524	2.1
79.35299	1.6
81.07078	2.3
92.21573	1.4
124.07591	5.9
182.69711	1.4
225.14001	1.5
230.37022	2.0
240.12607	2.1
253.13252	21.1
367.12833	2.1
400.16574	14.3
428.12527	1.9
442.13950	1.8
451.21814	1.7
477.18500	1.9
489.19308	3.8
491.20749	6.8
505.22638	15.3
517.19049	7.0
519.20667	3.0
520.20349	1.7
533.21997	2.6
549.21246	13.7
562.18774	6.3
563.18958	12.0
564.23029	2.2
577.20856	17.9
591.22754	3.2
607.25580	42.4
625.26416	7.8
657.29370	100.0
672.92993	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	657.399
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90411	4.4
55.59876	5.7
59.41197	4.5
65.53247	5.6
67.05503	36.3
69.07067	22.1
79.05524	10.4
81.07069	55.7
91.05469	12.4
93.07069	39.9
95.04953	8.1
95.08601	66.9
97.02884	9.1
97.06599	5.4
99.08084	5.0
105.07046	39.1
107.08603	61.5
109.06547	11.0
109.10145	91.7
116.53860	5.4
119.08564	55.9
121.10139	27.2
123.08088	10.5
123.11714	10.0
131.08554	10.6
133.10146	45.1
135.11705	11.0
143.08559	10.2
145.10106	54.8
147.11684	33.6
149.13231	9.4
157.10132	13.4
159.08090	7.0
159.11697	27.9
161.09535	7.3
161.13263	11.5
169.10168	12.6
171.11697	31.0
173.13245	11.3
175.11189	9.8
175.14835	32.6
183.11737	13.0
185.13274	28.4
187.11189	7.0
187.14847	67.2
189.12772	7.5
189.16405	5.8
199.11237	8.9
203.75943	5.8
209.13359	6.7
211.14864	9.2
213.12846	6.7
215.14322	46.4
225.16354	11.6
227.14485	8.0
227.17786	10.1
233.15297	8.8
235.39677	5.3
237.16336	6.6
238.20613	5.7
249.16290	6.0
251.17845	9.6
267.17587	7.7
397.27396	11.1
417.31326	37.1
435.32535	49.0
447.33118	6.7
465.33606	11.3
477.33673	96.2
495.28134	6.9
495.34732	100.0
579.36768	10.1
589.66840	6.5
597.37585	21.3
621.37341	11.0
639.38544	23.6
657.40118	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	657.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	5.7
56.29408	3.4
67.05496	38.5
68.45143	3.2
69.03424	5.8
69.07055	15.8
79.05524	3.6
81.07058	20.6
83.08630	4.6
85.02907	6.1
87.17500	3.5
93.07030	13.7
93.72605	4.1
95.08617	29.9
105.07030	7.7
105.48942	4.9
107.08591	16.4
109.10159	99.7
119.08586	21.0
121.10146	16.1
127.03912	4.8
131.08563	15.5
133.10135	15.6
135.11649	5.5
143.08615	4.8
145.10127	19.8
147.11713	6.1
152.94214	3.4
155.08539	5.7
157.10115	6.1
159.11714	9.0
169.10117	19.6
171.11720	15.4
173.13318	5.3
183.11694	17.4
185.13278	6.2
187.14839	6.3
195.11746	14.6
196.12549	3.8
197.13348	6.4
199.11125	3.9
209.13240	13.0
221.13092	5.2
223.14774	17.2
225.16425	47.3
237.16411	7.1
239.17995	17.7
249.16182	4.2
251.17972	47.1
252.91176	4.0
253.19609	8.0
293.18869	4.2
335.23914	5.9
369.23734	4.8
399.30542	7.5
417.31558	100.0
435.32550	20.1
459.32458	7.4
477.33719	87.4
568.69666	4.1
579.37592	5.9
597.37457	9.0
657.25085	17.2
657.39545	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	658.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10942	0.6
54.64708	0.6
59.73284	0.7
70.06593	2.8
72.08159	3.2
76.85569	0.7
84.08134	1.3
86.09703	3.4
97.02891	9.6
109.85234	0.7
111.30012	0.7
117.03332	1.2
120.21539	0.6
129.10242	1.7
137.06004	1.5
139.03903	5.0
139.79741	0.7
145.02843	26.1
161.52477	0.8
167.03410	3.8
171.06522	3.0
173.12840	1.8
177.05461	100.0
182.07103	0.7
189.05450	6.4
189.09036	0.8
201.12369	1.2
215.07031	1.3
245.08086	0.9
273.07608	3.4
291.08646	3.8
297.09799	0.8
309.09763	1.7
587.23138	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	658.5249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02190	2.0
52.59067	1.8
55.05501	13.2
57.03441	13.2
57.07087	45.6
67.05511	60.0
69.07069	25.9
71.08633	48.9
77.14941	2.3
79.05489	19.4
81.07064	56.1
83.04980	4.2
83.08631	32.1
85.10170	24.7
91.05481	17.7
93.07034	23.7
95.04984	3.9
95.08607	61.9
97.06514	4.9
97.10175	18.1
99.08109	2.5
105.07019	14.3
107.08598	24.9
109.06523	5.1
109.10159	80.8
111.08082	5.0
117.06991	4.2
119.08573	17.5
121.10123	10.4
123.08049	2.8
123.11702	11.8
123.74991	2.5
125.09623	15.0
131.08562	6.0
133.10138	22.2
135.08078	4.3
135.11708	4.0
137.09601	3.8
145.10161	3.9
147.11662	6.1
149.09575	6.0
149.13249	10.1
153.61559	2.6
155.10728	3.7
159.11682	5.1
161.13188	2.9
163.11130	3.1
173.11681	10.4
189.11223	4.9
197.85741	2.8
217.01768	2.4
227.12802	25.5
229.14343	43.7
257.24692	3.6
269.17490	21.1
275.20026	18.6
293.21146	3.4
313.27377	100.0
349.23892	21.8
367.24734	5.7
467.37292	59.3
507.40530	62.1
587.46747	44.4
605.47845	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	658.5366
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	2.3
56.94908	0.3
57.07081	0.9
58.06593	2.1
73.83723	0.3
74.06089	3.3
86.06057	0.5
88.07639	2.1
91.40495	0.4
97.81536	0.4
104.07079	0.6
114.77367	0.5
118.08637	1.6
122.08140	5.9
154.12289	3.1
164.88531	0.4
171.14911	1.0
182.15425	1.6
233.70003	0.4
238.82436	0.3
242.24765	22.4
272.25858	0.7
290.26880	100.0
334.29242	0.4
369.27444	0.5
482.99014	0.5
583.89825	0.4
658.53674	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	659.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62061	0.8
51.44065	0.8
59.57700	0.9
170.55276	1.2
269.71741	1.5
414.17108	1.2
429.19110	4.7
452.18372	1.4
457.18002	1.9
466.16489	2.0
467.17160	4.4
478.16281	2.1
480.17688	8.6
483.16299	2.2
484.17261	2.9
493.19083	12.9
494.14874	8.2
495.16318	9.8
496.17691	2.2
508.17273	14.6
509.18265	9.3
512.17041	11.1
516.23505	1.7
521.18243	23.0
522.15698	11.0
525.21460	2.3
526.14838	1.4
530.00629	1.3
535.16803	1.3
539.19061	2.7
540.19641	7.3
543.22601	5.0
553.20844	18.1
571.21887	2.5
572.22253	7.3
574.36133	1.3
581.20367	59.0
599.21326	24.5
600.21613	2.4
613.23163	6.0
616.24292	1.2
627.19861	1.4
631.23962	4.7
641.22430	100.0
659.23370	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	659.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
80.54030	1.3
101.93495	1.2
105.53263	1.1
116.69006	1.2
140.73611	1.2
296.74814	1.4
297.16180	1.2
426.17819	1.3
428.18518	2.0
429.19278	6.2
456.17734	5.4
457.18002	1.8
464.14819	1.7
465.19495	1.4
467.16940	1.8
480.17996	5.6
483.16272	8.0
484.16882	9.3
493.19409	9.5
494.15714	1.7
494.19717	2.2
495.16779	5.3
496.18082	1.6
497.18851	1.5
498.14856	2.2
506.15558	2.0
507.17041	2.3
508.17493	6.9
509.18051	6.1
511.15280	9.8
512.16522	19.2
521.18225	17.0
522.15900	6.1
523.19885	1.9
535.16101	4.4
539.19159	14.9
540.19373	18.2
543.22437	2.7
549.17657	1.4
551.19116	2.6
553.21198	16.7
571.21881	8.9
572.21991	15.5
581.20160	34.2
599.21161	27.0
600.21686	5.4
613.22681	8.8
627.20819	11.9
641.22424	81.2
659.23291	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	659.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39666	1.3
61.87601	1.2
105.07042	1.3
127.03905	2.2
157.10182	1.7
224.78236	1.5
355.88852	1.9
440.18469	10.4
454.19876	11.2
455.20731	11.6
456.17694	1.6
457.17157	2.1
466.15994	2.3
468.17987	6.9
479.20605	6.4
482.19165	1.9
484.17007	3.0
485.16473	7.6
486.19104	7.5
495.20096	10.0
498.18420	1.8
502.18115	1.7
504.20834	1.7
508.17249	10.8
511.15558	2.3
512.16913	11.0
513.21381	23.5
521.17987	6.7
523.19812	100.0
525.17291	12.2
527.19006	11.5
529.15558	18.4
540.19775	3.0
541.20813	94.6
545.20068	9.4
558.20789	2.1
566.17462	6.5
572.22198	5.4
599.21185	7.1
627.10822	3.0
627.20856	77.1
631.22906	7.9
645.21820	35.1
659.22266	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	659.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
64.47434	0.9
85.78924	1.0
85.96828	1.0
90.13029	0.8
98.14860	0.9
121.78571	0.9
197.12735	1.0
218.66479	0.9
583.41632	1.2
599.22852	6.2
659.24731	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88786	0.5
54.63370	0.5
56.90094	0.5
57.75177	0.5
58.72500	0.5
65.12492	0.5
65.35175	0.5
76.10103	0.7
76.76914	0.6
121.50192	0.6
152.96973	0.6
166.45976	0.7
183.47922	0.6
353.43936	0.7
551.20490	0.8
599.22571	4.8
627.21783	0.8
659.24750	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10999	2.4
68.04033	2.3
70.39386	2.7
73.89919	2.2
87.30267	2.4
94.02556	2.4
117.25203	3.1
142.96921	2.8
147.11703	3.1
189.53088	3.0
197.08563	2.9
212.27325	2.5
283.32748	3.0
509.19257	15.1
527.20447	19.3
542.22559	3.7
553.11633	3.2
585.24707	4.6
628.26398	5.9
659.28320	100.0
659.45050	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	659.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
61.74519	1.9
62.71116	2.0
64.24593	2.1
66.18805	1.8
69.07072	4.2
75.37366	2.2
79.05489	2.2
81.07056	10.0
81.73766	2.3
84.08103	3.0
85.02914	3.5
86.09711	5.4
93.07050	9.4
95.01339	4.8
95.08610	13.3
99.41366	2.1
105.07027	8.9
107.08611	12.4
109.10174	12.5
115.00687	2.4
119.08603	17.3
119.09362	2.6
121.10146	9.3
131.08586	4.3
133.10123	10.5
135.11711	8.2
141.01825	27.9
143.08421	2.6
145.10132	8.9
147.11682	10.6
149.13286	3.0
157.10115	10.9
159.11732	8.6
161.09564	4.2
161.13274	5.3
169.10138	2.6
171.11668	10.7
173.09650	3.1
173.13232	11.3
175.11191	3.6
175.14676	3.5
183.11629	3.9
185.09584	3.1
185.13254	8.5
187.11157	4.9
187.14830	4.8
189.09122	10.3
195.11594	3.0
197.13293	8.9
199.11217	13.2
199.14888	4.5
201.16495	2.5
203.10712	4.4
205.15785	3.2
207.10161	3.3
209.13145	2.5
215.10677	5.1
215.14296	3.2
217.12321	4.5
223.14844	3.9
225.12843	3.1
225.16327	3.7
233.11699	5.3
243.13873	5.2
249.16333	2.4
273.15152	2.8
295.16983	3.0
407.25299	2.9
411.36179	2.3
429.27927	2.6
435.28659	3.1
447.29071	19.7
465.30008	46.9
483.31021	12.3
559.46985	2.4
623.32098	4.6
659.34283	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23622	1.7
65.05663	1.7
67.05495	2.0
70.06604	2.6
70.41109	1.7
71.24846	1.8
71.63845	1.9
72.08144	2.0
76.30920	1.9
79.05500	2.4
81.07060	5.1
85.02904	3.4
86.09694	2.8
93.07032	4.2
95.01310	4.3
95.08598	11.2
105.07053	8.3
107.08600	8.8
109.10142	4.8
118.98640	1.9
119.08582	13.7
121.10139	8.8
129.10246	2.7
129.89905	2.1
133.10159	9.1
135.11713	3.6
138.71848	2.0
141.01846	31.3
143.08528	2.5
145.10092	10.6
147.11662	5.0
149.13301	2.2
155.08647	2.9
157.10115	4.9
159.11676	8.7
161.09549	3.5
161.13275	2.5
173.09657	3.4
173.13217	11.5
175.14812	2.5
177.05545	2.3
177.16376	2.5
183.11571	4.0
185.13264	4.9
187.11334	2.4
187.14767	8.0
189.09077	4.2
197.13164	3.1
199.11165	3.4
199.14799	5.2
203.10645	4.0
205.15923	3.4
209.13182	2.4
211.14960	2.5
221.11723	2.6
223.14853	2.4
225.16417	2.8
243.13847	2.8
253.16066	2.6
295.16965	4.7
313.92352	2.1
322.49118	2.6
355.72775	3.1
362.54312	2.8
389.00815	2.1
419.29257	3.8
447.28741	11.2
453.09491	2.3
465.30173	26.3
483.31293	2.7
565.48907	2.9
590.67133	2.8
641.32788	2.7
659.34320	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05528	5.7
56.45333	2.8
58.12905	3.4
67.05506	21.7
69.03435	12.5
69.07065	20.9
75.20445	3.1
79.05476	3.0
81.07068	25.8
81.29222	2.9
82.54823	3.2
85.02898	31.0
87.04478	3.6
91.05477	6.4
93.07037	21.4
95.08605	43.8
97.02883	7.7
102.41541	3.9
105.07030	16.0
107.08578	28.4
109.10148	77.9
111.11764	3.7
119.08595	38.6
121.10105	26.0
123.08083	3.1
123.11698	5.0
125.09644	5.1
127.03886	12.8
131.08583	13.3
133.10138	17.5
135.11703	7.9
143.08566	5.3
145.10141	23.4
147.11716	18.6
149.13289	11.4
152.82700	3.1
155.08588	3.6
157.10147	25.1
159.11613	22.1
161.13275	7.5
169.10095	18.9
171.11621	27.3
173.13237	20.8
175.14832	3.7
179.08632	3.7
183.11725	6.5
185.13301	16.2
187.14848	14.2
195.11690	16.0
197.13313	12.8
199.14862	17.4
201.16457	3.4
209.13264	15.9
211.14815	12.1
213.16371	7.0
213.93080	3.4
221.13162	6.9
223.14868	17.4
225.16388	15.4
227.17877	7.7
237.16443	20.6
238.17255	3.5
239.17972	15.9
241.19527	5.0
249.16508	4.5
251.17932	19.6
253.19487	26.9
263.18005	4.7
265.19443	5.6
267.21014	6.1
275.17709	3.9
277.19434	6.9
279.20911	4.0
285.07440	22.3
286.07950	21.1
287.08170	12.7
289.19504	4.6
291.21045	6.9
292.21820	15.2
293.22577	12.5
319.23895	3.5
401.31964	49.6
419.33038	87.8
437.33942	4.9
461.33969	20.2
479.35187	80.4
497.36258	42.8
581.38104	19.8
599.39807	22.5
624.29980	3.3
641.40558	25.4
659.41382	100.0
663.09033	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	659.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71523	0.2
59.07309	0.2
63.04875	0.2
84.27604	0.3
85.49665	0.2
149.78050	0.3
201.03719	0.5
203.05389	0.3
464.73999	0.3
641.40198	0.6
659.41327	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22704	2.6
50.22945	2.5
53.66246	2.6
55.05511	6.0
57.03462	3.3
59.22012	2.4
59.71860	2.4
61.02930	5.5
64.86755	2.5
67.05511	23.9
69.03433	19.6
69.07076	27.4
73.02940	3.9
75.90127	2.6
76.37208	3.1
79.05503	5.0
81.03397	5.1
81.07059	33.2
83.08635	5.7
85.02907	47.9
91.05502	6.1
91.92894	3.2
93.07062	26.3
95.08613	43.9
97.02902	18.0
105.07037	23.3
107.08598	31.9
109.02912	3.4
109.10152	69.2
117.07037	4.0
119.08575	44.2
121.10149	22.3
123.11737	6.1
124.69976	3.0
127.03896	7.2
129.07036	2.9
131.08585	7.1
133.10121	31.4
135.11691	6.1
137.77394	3.4
143.08557	13.6
145.10130	35.4
147.11674	29.4
149.13251	7.1
155.08542	7.6
157.10091	29.7
159.11693	29.4
161.13243	18.2
169.10172	24.3
171.11655	30.5
173.13274	15.2
175.14809	6.9
181.10150	7.0
183.11728	20.0
185.13260	20.2
185.30511	3.0
187.14835	12.8
187.65726	2.9
195.11676	18.6
196.27087	2.9
197.13260	20.5
199.14807	16.8
201.16391	5.2
207.11720	5.3
209.13266	20.5
210.14056	3.5
211.14859	16.1
213.16388	6.1
221.13304	7.5
222.14056	4.0
223.14809	14.5
225.16400	17.7
227.17871	6.8
235.14819	12.4
237.16386	25.5
239.17934	18.2
249.16368	17.3
251.17882	21.2
252.18684	4.7
253.19513	30.7
257.96313	3.4
263.17908	14.2
265.19409	15.7
267.20865	7.4
277.19443	14.5
279.21036	6.2
289.19547	6.8
291.21094	15.8
292.21799	18.9
293.22577	6.5
305.22769	4.9
317.22714	4.1
319.24182	4.2
375.30304	3.7
401.32031	51.2
419.33008	64.5
437.34052	4.4
461.34219	33.7
479.35220	100.0
497.36264	43.8
581.38281	21.9
599.39154	14.9
641.40802	29.1
659.41730	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	659.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.5
56.55744	1.8
57.03437	3.1
57.07064	1.6
61.02931	3.4
67.05507	24.7
69.03440	17.2
69.07074	22.3
77.03895	2.1
79.05489	8.7
81.03426	4.2
81.07062	37.9
83.08631	4.3
85.02910	45.7
87.04441	3.6
89.11029	1.7
91.03976	1.9
91.05489	11.4
93.07037	27.3
95.08613	59.5
97.02934	18.9
97.03448	2.4
97.10155	4.0
99.04472	4.2
105.07048	26.7
107.08614	34.8
109.02895	3.6
109.10171	64.6
117.07011	4.6
119.08582	48.4
121.09412	2.0
121.10172	28.5
121.83678	2.3
123.08092	2.2
123.11699	11.1
127.03946	9.9
131.08542	18.6
133.10121	25.8
135.11674	15.5
137.13289	2.6
141.06940	2.6
143.08539	15.3
145.04953	3.0
145.10138	35.5
147.11682	32.8
149.13239	13.2
155.08553	8.8
157.10165	28.3
158.10985	2.7
159.11694	34.9
161.13232	23.8
169.10124	15.7
171.11665	31.1
172.07596	1.9
173.13264	25.4
175.14833	13.4
181.10124	8.4
183.11661	21.1
185.13248	23.4
187.14856	26.5
189.16434	4.4
193.10138	3.3
195.11705	12.1
196.12521	2.1
197.13234	14.8
199.14830	17.1
201.16383	13.0
203.18024	3.0
207.11647	4.6
207.17339	1.9
208.55347	2.0
209.13271	17.4
210.13950	1.9
211.14929	13.6
213.16357	15.5
215.18095	2.6
217.15800	4.0
221.13226	8.8
222.14064	2.0
223.14728	14.4
225.16447	17.7
227.17982	10.2
231.17404	4.3
235.14827	10.4
237.16368	20.5
239.17949	17.6
241.19495	3.1
245.19099	2.2
249.16461	12.9
251.17899	18.7
252.18712	3.8
253.19553	24.6
255.20966	2.2
261.16415	2.2
263.17868	4.2
264.18646	3.1
265.19534	12.7
267.21027	9.1
275.18033	2.4
277.19531	13.7
279.21170	7.7
289.19547	2.8
291.21124	13.9
292.21890	23.0
293.22641	12.8
295.20660	2.5
305.22580	3.5
317.22577	3.1
319.24051	3.6
331.24063	2.6
333.25650	2.0
345.25806	2.5
352.23996	2.4
361.28741	7.7
401.32147	52.2
404.87927	2.2
419.33075	81.7
427.64810	2.3
437.34119	16.6
461.34122	36.4
479.35260	100.0
497.36255	60.3
525.30273	1.9
581.38293	17.9
599.39221	18.6
623.39233	2.4
641.40405	24.8
659.41492	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	660.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93905	0.9
81.07059	1.8
90.51968	1.0
94.84361	0.9
99.94084	1.2
110.78973	1.0
129.54312	1.1
228.44106	1.3
231.19286	1.0
243.11008	1.0
368.61572	1.3
428.19482	1.0
441.19022	1.9
442.19742	1.3
469.18622	34.6
478.19635	1.4
482.18405	1.3
485.18716	1.4
496.21188	10.2
500.20068	6.4
501.20807	1.3
506.19214	1.9
508.17609	2.1
509.17587	9.3
510.18399	7.0
512.16638	16.7
513.17584	62.4
514.21484	9.0
521.18347	1.2
522.18274	6.5
523.19916	15.9
524.20038	83.6
525.21423	89.0
526.17975	10.8
527.19189	34.5
540.19202	1.4
541.20734	7.4
542.21167	4.0
555.18762	39.2
557.23462	4.2
567.17786	1.6
568.19183	2.0
569.19879	1.2
573.22791	7.8
584.22192	1.6
586.20526	7.0
600.21484	4.2
601.22913	76.0
627.21210	1.8
628.21332	100.0
645.09796	1.3
646.22186	20.5
660.24457	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	660.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91835	0.4
60.51546	0.4
67.23788	0.4
81.06983	0.6
95.11110	0.5
108.94415	0.4
297.83835	0.5
414.16895	4.2
427.17737	0.8
428.18445	11.5
440.18576	2.1
441.19269	2.0
442.20084	17.1
443.20859	10.1
455.20978	6.9
459.19415	0.6
468.17682	2.0
469.18063	8.2
470.19376	1.0
482.19626	1.1
486.18857	5.0
487.20041	0.6
495.16776	1.9
496.20966	0.9
497.21573	2.4
499.23831	0.6
500.20255	1.9
501.20831	0.7
509.18237	1.2
510.19040	4.1
512.16827	3.1
513.17499	9.3
514.21503	2.8
523.20209	6.3
524.19934	6.5
525.21387	95.5
527.19006	5.3
529.24927	0.7
542.21191	4.9
555.22894	14.7
557.23993	100.0
558.21057	0.8
573.23175	5.6
586.20880	0.9
591.24188	0.7
601.22919	35.0
616.24951	1.1
628.21039	7.5
646.22357	1.9
660.24304	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	660.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06596	100.0
72.08165	6.8
84.08105	0.8
86.09730	1.2
98.06060	17.8
116.07117	8.6
126.05518	33.6
126.06413	1.7
127.08714	4.5
129.10294	1.2
139.15834	1.1
152.05618	0.9
155.08165	12.0
157.09743	1.5
167.11777	10.6
169.13394	4.6
172.98082	1.0
181.13399	1.7
195.11269	18.3
209.12878	1.2
213.12344	55.3
252.13533	3.0
254.15086	5.8
279.84717	1.1
292.16946	0.9
300.67697	1.0
310.17584	29.8
337.47433	0.9
351.20432	7.4
407.22894	13.8
448.25729	1.6
504.28265	29.3
660.26324	3.2
660.37115	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	661.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
61.14254	0.7
61.48238	0.6
75.04479	1.0
86.82548	0.8
93.84344	0.7
101.07453	0.7
102.44147	0.6
112.82581	0.7
280.16519	0.8
327.75043	0.8
330.99469	0.7
440.18408	4.3
442.16592	3.2
454.20438	0.9
456.17859	2.8
457.18643	6.4
468.21866	1.0
469.22556	5.2
470.19485	1.6
471.20215	7.4
484.17221	1.5
485.18219	10.5
486.16754	4.6
487.16162	1.0
489.17703	0.8
497.18076	4.4
500.16721	4.4
501.17725	7.3
502.18954	1.1
512.20679	1.0
513.21332	6.2
515.19226	9.0
516.19867	3.1
525.16992	0.8
529.16864	1.2
530.22668	7.7
531.15991	4.0
539.18872	5.4
540.19122	5.6
541.17902	1.6
557.20209	7.7
558.20331	1.2
559.18243	12.6
574.20618	100.0
583.18799	1.0
584.18347	1.4
589.23157	4.0
599.20624	0.8
601.20892	1.2
615.22064	1.5
617.22455	11.7
629.19781	1.0
633.22028	11.9
643.22308	1.1
646.14166	0.7
661.21637	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	661.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
72.89544	1.6
124.51104	1.6
387.35468	1.8
400.15317	44.5
413.16241	2.0
414.16946	15.2
415.17920	3.8
427.17474	2.7
428.18417	24.8
429.19254	100.0
444.14603	11.3
447.19931	3.0
455.17007	29.1
456.18073	13.1
457.18842	11.0
458.15656	2.9
459.16821	8.0
472.17484	7.1
473.18301	49.9
483.16522	24.4
487.16080	8.2
488.17227	2.3
491.19348	3.0
496.17694	3.9
501.17505	28.2
502.17664	5.6
509.18375	2.0
523.16150	2.5
524.16486	2.0
527.15442	21.0
529.20996	3.2
530.21674	25.9
537.17853	2.1
539.19238	42.6
540.19568	24.3
541.17322	7.3
546.21625	11.4
557.20239	42.3
558.20605	5.9
559.18414	9.7
561.23267	2.7
573.19904	7.8
574.20587	96.4
589.23077	7.8
601.19305	10.9
602.19641	6.2
605.22565	10.0
615.20819	19.7
617.22412	43.0
633.22101	16.2
643.20349	50.4
661.21460	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	661.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29628	1.0
58.84753	1.0
63.55599	1.0
66.07365	0.9
66.11771	0.9
73.02907	0.9
74.10138	0.9
75.04476	2.0
85.47891	0.9
93.64892	0.9
97.02859	1.1
97.65881	1.0
107.08650	1.3
107.21765	1.0
119.01627	1.2
121.10136	1.0
131.08638	1.2
137.63391	1.3
158.16417	1.1
174.51474	1.2
212.25345	1.0
228.37933	1.2
440.18246	7.1
442.16339	11.7
456.17889	4.4
457.18787	2.5
468.21286	2.5
469.22397	16.2
470.19254	4.8
471.20279	20.8
484.17438	7.1
485.18286	14.9
486.14999	5.9
497.18103	5.7
500.17245	1.9
501.17697	9.3
502.18185	2.0
512.20355	2.3
513.21558	18.9
515.19305	28.7
516.19818	8.1
524.17047	2.1
529.17560	1.2
530.21552	18.1
539.18964	6.8
545.17029	1.9
557.20154	6.6
559.17957	8.9
574.20654	100.0
583.18213	2.0
589.22656	4.5
592.21625	4.2
615.21399	4.6
617.21735	5.1
633.21924	27.6
651.22644	4.8
652.53949	1.4
661.21332	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	661.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50760	2.3
81.02319	2.7
120.61902	3.0
133.63493	2.8
147.65163	2.8
164.46066	2.7
446.40237	3.3
521.28333	3.1
661.24054	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15622	1.7
58.96040	1.7
62.36964	2.0
69.96213	1.8
92.21500	2.7
374.53079	2.2
406.21176	4.4
420.23090	12.8
421.23767	23.6
422.44760	2.4
477.26413	4.7
503.24426	27.3
507.27734	4.0
535.26990	100.0
557.25079	21.6
585.24188	4.0
602.24744	4.0
617.27045	4.1
661.25616	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	661.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16759	1.2
61.00554	1.2
67.05507	5.7
67.24474	1.2
69.07065	3.1
73.02935	1.4
79.05468	1.2
81.07073	18.4
83.08629	1.4
85.02917	8.8
91.05469	2.2
93.07053	16.9
95.01318	11.4
95.08616	31.0
99.00835	1.6
103.03918	1.6
105.07042	16.3
107.08590	19.6
109.10163	22.0
111.08064	2.8
112.43346	1.3
113.02377	2.1
114.09193	1.7
119.08588	26.9
121.10130	19.6
123.11720	11.0
127.04005	1.7
131.08595	10.5
133.10141	25.3
135.11690	15.5
139.11180	2.2
141.01830	48.6
143.08572	3.0
145.10132	20.2
147.08063	2.7
147.11705	22.6
149.13297	12.8
151.11192	3.0
155.38216	1.5
157.10135	12.7
159.02884	5.7
159.11696	28.5
161.09656	12.5
161.13257	26.3
163.11182	2.2
163.14832	5.0
169.10141	2.2
171.11687	12.2
173.09624	6.3
173.13249	35.8
175.11183	7.6
175.14796	11.7
177.16402	7.7
183.11708	7.5
185.13234	9.5
187.07521	2.7
187.11209	15.8
187.12604	1.6
187.13365	1.8
187.14824	20.3
189.09126	16.7
189.12761	6.4
189.16417	16.4
191.18004	2.6
197.13229	10.7
199.11270	6.0
199.14754	12.7
201.09079	2.2
201.12706	10.5
201.16376	15.7
203.10652	17.5
203.14395	1.5
205.15834	3.1
207.10136	11.7
207.17455	3.1
207.24937	1.4
209.13214	1.7
211.14871	5.6
213.12828	2.8
213.16362	6.0
213.67630	1.3
215.10669	34.9
215.14224	15.5
215.17992	2.2
217.12289	3.4
219.17540	2.3
221.11673	10.8
225.12840	3.3
225.16435	3.2
227.18004	2.1
229.12257	6.7
229.19620	3.5
231.13739	5.4
233.11736	26.3
243.13780	36.1
245.15375	2.1
247.13353	1.7
249.14812	1.7
251.17947	3.2
253.25267	1.4
255.13930	2.3
257.15433	2.3
261.14835	32.3
265.19479	2.4
271.13333	3.0
295.16943	2.2
301.17853	1.9
313.18011	2.4
317.14896	2.1
375.30673	1.8
391.26108	2.4
403.29904	3.4
409.27545	16.3
421.31180	3.0
431.29739	11.1
437.30505	18.6
449.24338	2.7
449.30499	74.0
467.31573	100.0
485.32568	11.9
607.32147	2.7
625.33948	12.7
643.34875	7.8
661.35211	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	661.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16282	1.5
56.31042	1.4
67.05521	3.7
69.07063	4.3
79.05495	2.7
81.06649	2.3
81.07067	22.0
85.02901	7.1
86.90456	1.5
91.05479	3.0
93.07043	14.6
95.01334	11.1
95.08612	31.3
105.07034	15.6
105.07647	1.7
107.08611	25.4
109.10152	20.5
111.08136	1.9
113.02386	1.8
119.08586	25.5
121.10144	22.9
123.11710	9.2
131.08580	8.1
133.10139	24.5
135.11696	17.9
137.13300	1.9
140.07123	1.9
141.01831	42.6
143.08539	3.5
145.10118	21.5
147.11702	20.8
149.13277	10.6
157.10112	12.6
159.02856	2.7
159.08026	2.2
159.11674	27.6
161.09637	11.7
161.13255	26.6
163.14734	2.3
171.11688	12.7
173.09598	7.4
173.13260	28.9
175.11139	3.2
175.14828	9.8
177.16370	8.9
183.11662	3.6
183.37694	1.9
185.13235	7.8
187.11234	11.8
187.14783	20.4
189.09138	17.7
189.12744	2.7
189.16405	16.3
197.13232	15.2
199.11142	3.5
199.14850	11.7
201.09222	2.6
201.12769	12.0
201.16371	19.0
203.10674	11.6
203.17961	1.9
205.15852	3.1
207.10249	15.7
211.14854	4.0
213.16299	3.6
215.10684	30.0
215.14192	15.9
215.17857	3.0
217.12294	3.2
219.17493	3.4
221.11774	10.5
223.14809	1.8
225.12718	2.8
225.16415	8.7
227.17879	3.1
229.12172	2.2
229.19566	2.5
233.11679	29.7
237.16345	2.0
243.13785	36.5
245.15347	2.9
251.18036	4.3
255.13771	4.0
261.14850	32.6
271.13309	2.5
273.14844	4.1
281.15131	2.1
283.16943	3.0
299.16388	2.0
301.18036	2.2
313.18198	2.7
365.19333	2.3
378.54199	1.9
409.27591	15.5
431.29459	9.0
437.30600	18.9
449.30496	74.3
467.31595	100.0
485.32376	14.3
625.33557	13.8
643.34937	2.5
652.78070	2.1
661.35583	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	661.4306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52822	2.1
51.64478	2.1
55.05506	3.0
55.85552	1.8
56.43415	2.4
62.12303	2.2
67.05524	28.9
69.07072	12.1
74.06219	2.2
74.26552	2.3
75.05665	2.4
81.07064	33.4
83.08585	4.9
85.02911	5.7
91.05473	5.0
93.07030	17.5
95.08605	49.9
105.07042	22.8
107.08604	25.0
109.10159	100.0
114.83087	2.5
119.08575	39.9
121.10158	26.9
123.11724	10.1
125.09576	2.5
127.03910	3.2
131.08580	11.9
133.10126	20.7
135.11714	14.3
143.08583	3.6
145.10123	50.1
145.13322	2.9
147.11676	26.4
149.13240	13.5
157.10120	13.7
159.11678	27.8
161.13277	31.3
163.14836	10.0
169.10083	10.2
171.11656	23.0
173.13271	27.1
175.14876	12.2
177.16422	3.9
180.97350	2.5
183.11719	11.0
185.13268	13.6
187.14726	18.1
189.16428	10.2
195.11580	3.1
197.13248	2.8
199.14780	11.1
201.16345	24.7
203.17961	4.2
211.14951	3.2
213.16360	5.5
213.42502	2.2
214.79279	2.8
215.17966	11.1
225.16438	5.6
227.17958	4.1
239.17931	13.2
241.19540	3.2
251.17955	3.9
253.19527	5.0
255.20673	3.8
267.21082	11.6
293.22635	3.5
295.24246	4.8
347.27237	4.8
403.33618	55.4
421.34689	56.7
463.35675	15.9
481.36481	10.9
583.39697	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	661.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82415	3.9
61.02938	4.7
67.04488	4.0
67.05505	25.6
69.07059	18.0
69.37831	4.4
75.04472	6.6
78.46532	3.7
79.05464	4.8
81.07057	30.9
82.13798	4.4
85.02903	8.5
91.03928	4.8
91.05489	8.9
93.07040	29.3
93.11052	3.8
95.08612	63.7
98.16848	5.3
105.07040	24.5
107.08591	43.8
109.10162	100.0
119.08591	41.5
121.10129	29.5
123.11716	22.2
127.03870	5.8
131.08549	18.5
133.10100	31.5
135.11676	18.6
137.13329	4.5
143.08539	7.3
145.10104	55.9
147.11696	27.5
149.13281	8.9
157.10162	20.3
159.11705	34.8
161.13266	24.4
169.10132	19.5
171.11678	19.8
173.13240	23.2
175.14818	21.0
183.11671	6.6
185.13271	22.7
186.05199	4.6
187.14844	24.4
190.57243	4.7
197.13205	9.7
199.14815	19.1
203.18085	5.8
211.14772	7.6
213.16463	6.9
225.16365	10.0
239.17953	6.0
253.19417	5.9
255.21252	7.1
267.21103	27.8
347.27246	7.1
356.11450	5.2
403.33429	60.3
421.34573	62.5
463.35587	20.2
583.39648	9.4
661.44873	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	661.4437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30957	3.6
52.89880	3.4
53.03993	3.9
55.05514	4.2
60.59943	3.8
69.20068	4.1
71.08601	3.9
87.11564	4.3
94.34632	4.3
104.75494	4.8
186.77856	5.3
331.26392	9.5
446.45929	6.1
468.32190	4.9
661.44232	100.0
661.54016	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	661.4436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20255	2.4
53.68688	1.9
54.74456	1.7
54.78947	1.9
57.81046	2.1
78.57571	2.1
87.42955	2.0
91.11642	2.4
91.19549	2.1
98.01968	2.0
125.73095	2.2
138.56812	2.6
238.33449	2.6
661.44446	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.4646
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.6
57.07085	3.3
60.19659	0.3
62.31680	0.3
63.23004	0.3
67.04563	0.3
69.07084	0.4
70.04234	0.4
71.08640	1.0
72.35623	0.3
81.07073	0.7
83.08628	0.7
85.10173	0.4
95.08609	0.9
97.10141	0.5
103.07647	0.4
109.10161	0.4
137.05980	2.6
138.45894	0.4
153.01221	0.4
158.57216	0.5
161.22720	0.4
180.57036	0.4
216.81271	0.4
219.86584	0.4
313.27420	0.5
349.19846	22.6
405.22610	6.8
499.27164	0.4
501.16376	0.5
661.46484	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.4883
Annotation	Unknow
Peak:m/z	Relative Intensity
63.18462	43.9
67.05521	48.5
68.63892	40.6
81.07073	100.0
82.57439	42.5
107.00897	46.9
107.08589	67.5
148.38786	44.4
195.13782	80.1
213.05649	47.3
213.14807	89.9
225.63539	48.9
302.76849	48.2
389.02136	60.9
661.36340	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	662.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03959	2.5
55.05516	2.8
60.92024	3.0
66.51028	3.1
67.05507	14.6
69.07069	3.1
79.05498	11.9
81.07074	14.0
91.05485	4.5
92.20927	3.7
93.07041	13.3
95.08588	13.2
103.57462	3.0
105.06992	3.6
107.08617	6.5
109.10152	5.6
119.08584	4.3
121.10100	3.8
133.10100	4.2
169.65234	3.2
173.07423	3.3
190.10501	2.8
207.77930	3.1
207.89861	3.0
216.54837	3.1
226.34604	3.4
235.58154	3.1
281.99875	3.7
335.25934	5.2
432.51013	3.8
459.21667	40.6
475.21243	40.3
476.21838	11.9
477.22742	6.9
489.23492	5.0
489.35596	4.7
519.23749	15.0
533.21655	3.9
535.23236	13.4
547.27533	39.8
563.26996	29.8
591.26678	5.5
593.23309	5.8
606.28296	48.1
607.25616	3.7
609.44849	6.3
622.27869	84.5
630.27466	5.0
662.29706	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84158	0.8
53.23893	0.9
63.56901	0.9
79.69390	1.0
91.08878	1.0
120.42822	1.0
124.83771	1.1
134.49178	0.9
225.52176	1.0
349.40414	1.1
432.22165	1.7
445.23862	1.2
473.22980	1.1
474.22635	9.0
475.23645	1.7
476.24527	9.2
486.23141	2.2
487.21518	4.8
488.24609	1.9
500.22845	5.4
501.22614	14.1
502.23581	4.7
514.23236	2.4
515.24182	2.1
516.24988	18.2
528.24268	1.9
529.25623	1.3
533.23932	1.8
559.26129	2.2
560.27136	2.3
574.25519	4.2
586.26990	1.6
588.27246	11.9
603.29907	10.7
619.30096	4.8
620.28516	6.9
621.29486	2.5
662.30884	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	6.5
56.93537	1.3
63.40917	1.1
67.39577	1.4
70.06570	1.3
72.08160	29.6
74.06083	18.3
75.36470	1.4
76.43069	1.4
79.27447	1.3
83.06123	2.9
84.04035	2.5
84.04507	51.7
94.60926	1.4
98.09676	3.2
100.07613	17.0
101.07143	100.0
102.05542	3.6
109.76118	1.4
110.06078	3.5
110.69815	1.3
112.04004	1.5
119.08171	8.3
120.08096	3.6
127.08675	9.9
129.06589	6.8
130.04982	2.3
139.08659	1.9
140.07074	8.7
144.06573	15.5
145.09726	14.5
146.09215	2.0
147.04419	1.6
150.05545	2.6
155.08154	35.1
155.11790	6.0
162.07617	24.4
167.08171	10.1
168.06454	1.9
168.07722	1.7
172.10789	3.4
173.09193	12.4
173.12860	26.4
183.11275	2.7
184.10847	13.3
185.09137	12.5
194.09267	13.8
195.07594	23.5
195.08971	1.5
199.14391	2.3
201.12404	2.7
202.11882	2.5
209.12811	2.3
212.10294	62.4
213.08679	12.2
230.11398	13.5
238.11971	1.5
240.09735	7.1
252.09741	2.4
265.16455	2.9
268.13232	2.1
283.13959	12.6
293.15958	1.9
295.14078	2.6
296.12473	3.5
301.15024	2.4
311.17209	2.2
313.14999	12.5
331.15863	1.9
336.03781	1.7
337.18796	1.9
366.17813	1.8
384.18771	8.1
402.19852	21.5
457.23239	1.9
465.24612	3.6
473.27301	5.2
483.25653	80.6
490.25107	2.6
501.26675	63.5
644.32202	8.2
662.23779	2.8
662.33533	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	663.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46031	1.4
50.56529	1.4
56.31300	1.7
69.07072	2.0
70.06599	7.2
72.02976	1.4
84.08134	2.0
86.09714	2.3
86.27573	1.7
102.98142	1.5
105.70559	1.5
120.08089	2.7
122.06049	6.5
125.96500	1.7
127.03891	1.9
129.10242	2.4
140.07094	2.8
208.09703	3.7
249.10242	9.8
251.11771	14.3
263.11868	2.4
265.09628	1.8
271.10574	2.1
277.09738	8.9
279.11356	6.7
295.10779	2.7
297.12485	2.3
309.12283	13.1
310.13147	2.0
311.13852	6.6
320.09158	8.5
321.09537	16.3
323.10229	12.7
323.13950	8.9
328.24353	1.9
344.13870	2.4
355.12729	3.2
356.13760	7.8
357.14716	3.5
358.15332	7.6
363.15488	2.5
369.14633	1.9
372.13300	10.2
372.17325	2.5
373.17810	3.7
382.15482	2.3
383.16382	7.9
386.14911	10.7
386.19012	2.7
396.13382	5.9
398.15027	3.5
399.15530	7.3
400.12189	14.6
400.16751	9.0
402.14249	2.8
403.15442	2.4
404.15921	7.6
412.12567	2.2
414.13745	15.1
414.18506	7.1
416.16016	6.5
417.16888	7.9
418.17722	7.7
426.14267	3.8
427.15396	5.9
428.15820	11.9
430.14050	3.3
432.15244	14.2
442.17548	8.9
444.15518	9.1
445.16342	14.0
446.17188	12.0
454.13937	14.3
455.14749	3.8
456.15811	2.6
460.14108	2.8
460.19156	3.3
472.14944	15.8
473.15680	11.2
474.16504	28.0
476.18076	17.4
476.45914	2.0
477.18802	7.0
487.16852	2.3
492.17511	9.6
504.17584	7.9
505.18396	37.2
506.19232	21.1
523.19281	8.5
595.21503	2.6
613.23065	29.8
627.24506	3.9
631.23792	6.9
645.25531	100.0
663.26630	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	663.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26320	1.2
66.18349	1.1
67.05523	2.9
69.03436	20.2
71.04993	3.2
77.44199	1.1
79.05515	2.6
81.07061	14.0
91.05455	1.5
93.07047	5.7
95.08606	11.6
97.02896	32.3
105.07035	2.3
107.08595	5.1
109.10155	8.9
115.03917	21.2
119.08554	2.8
121.10139	36.8
123.11717	10.2
125.05989	5.0
131.08560	1.6
133.10168	1.4
139.11154	4.8
145.10132	5.0
147.11668	2.6
149.09647	5.7
157.10080	1.9
159.11693	1.8
167.10641	2.6
171.11691	1.4
173.13266	2.0
185.13239	7.4
197.13278	2.9
221.94276	1.4
223.14864	1.9
253.19444	7.3
271.20679	2.8
277.51355	1.4
293.63303	1.3
336.12036	1.7
337.12308	1.7
417.31491	1.7
435.32401	5.5
453.33823	2.3
478.48120	1.5
491.02927	1.4
640.67651	1.6
645.39984	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58564	1.0
63.19319	1.1
65.90542	1.2
84.06133	1.2
95.48186	1.1
95.82141	1.5
99.09343	1.2
102.87913	1.3
199.06387	2.1
211.06477	1.6
211.53065	1.2
213.07983	12.0
217.07489	2.2
229.07475	24.0
231.08978	14.1
232.44118	1.4
243.09161	5.7
247.08534	11.8
251.09576	6.4
255.09030	15.7
261.10046	2.0
267.09027	13.6
269.10580	58.9
269.13492	1.9
273.10165	8.8
279.91714	1.2
285.10049	22.0
285.27664	1.4
287.11646	26.1
303.11432	2.6
333.17447	8.9
336.12201	1.8
339.42218	1.5
351.18430	27.5
369.19519	25.9
387.20660	2.2
563.32855	6.1
663.41498	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55903	0.7
56.96578	1.9
62.12008	0.8
83.08645	0.8
95.08634	0.9
111.18423	0.8
153.06223	0.8
155.03868	0.8
158.09749	0.9
199.06541	1.1
203.05960	1.0
213.08063	3.8
217.07549	4.9
217.11191	1.0
225.08031	1.8
227.09680	1.7
231.09087	3.3
237.07967	1.8
241.11205	1.7
243.09091	1.5
245.10576	1.1
249.07932	1.4
251.09427	9.8
255.09026	30.2
257.10699	1.1
259.12286	1.3
267.09006	29.0
267.11548	1.4
269.10593	56.3
273.10068	21.1
285.10095	52.3
287.11658	20.2
303.11292	4.7
315.16367	1.3
321.09476	1.0
333.17300	16.4
351.18417	40.6
369.19495	37.4
387.21036	1.5
447.64868	0.9
537.37573	1.0
563.32709	3.6
663.41437	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.0
58.19960	0.4
58.49805	0.3
61.02927	2.4
61.04062	2.2
67.05506	2.4
69.03436	3.6
69.07069	2.5
70.06595	2.4
71.04984	0.7
72.08154	2.7
73.02934	0.6
81.03436	1.8
81.07056	3.5
83.08593	0.6
84.08151	0.9
85.02907	13.0
86.09700	0.7
87.04459	0.8
91.03978	0.5
93.07034	2.3
95.08588	7.2
96.35178	0.4
97.02894	5.5
97.10172	0.5
98.09690	8.1
99.04480	1.8
105.07055	2.2
107.08605	5.7
109.02889	2.2
109.10162	15.2
113.07117	1.0
115.08730	2.6
117.06966	0.8
119.08549	4.8
119.77551	0.4
121.10136	5.2
123.11690	3.0
124.11239	0.6
126.12801	13.8
127.03901	4.2
127.11182	2.2
131.08607	2.2
133.10153	5.7
135.11705	4.0
137.13277	0.6
141.10252	1.9
145.04993	2.4
145.10106	4.4
147.11661	4.6
149.13258	5.7
159.11703	4.2
161.13260	3.5
163.14812	2.3
169.13347	3.5
171.11757	0.6
173.13199	3.5
175.14815	4.0
185.13330	1.8
187.14821	6.4
189.16383	4.2
199.14790	0.9
201.16380	6.9
203.17990	1.1
213.16393	1.6
215.18091	0.9
217.19499	5.9
227.17938	0.9
229.19600	0.5
231.21082	0.5
233.90320	0.5
233.93404	0.4
234.22166	0.7
241.19366	0.6
267.21127	0.5
295.24429	0.6
422.37650	3.1
440.38873	4.7
444.89432	0.6
448.35852	0.5
465.38580	1.9
483.39539	0.8
663.45746	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	6.7
70.57674	2.4
81.07061	16.8
93.07046	10.7
95.08628	5.8
107.08588	3.7
109.06505	4.0
109.10139	4.0
111.04416	20.4
119.26997	3.0
121.10124	3.7
133.10104	3.8
135.11717	4.8
137.05968	100.0
161.09642	5.5
203.17839	3.4
231.17461	6.5
277.18069	21.2
335.25662	13.3
351.21747	5.8
456.25836	3.0
611.43066	73.3
629.43896	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	664.5143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	29.7
57.03434	21.9
65.03962	4.0
67.05512	93.8
67.84017	3.4
69.07072	42.1
71.08634	18.4
79.05507	52.2
81.07063	100.0
83.08628	21.6
85.06527	6.5
85.82520	3.5
90.59070	4.0
90.60468	3.5
91.05486	39.4
93.07046	74.9
95.04965	5.1
95.08607	85.4
97.00056	3.8
97.06525	5.7
97.10179	20.1
99.08085	9.1
100.71726	3.3
105.07047	28.7
105.17457	3.4
107.08597	48.5
109.10167	43.2
117.07020	17.7
119.08569	45.0
121.10124	38.7
123.11688	6.2
125.09633	5.4
131.08574	21.2
133.10115	31.4
135.11691	21.0
137.13268	4.6
143.08559	9.1
145.10156	18.4
147.11740	28.3
149.13196	7.7
151.11176	5.9
157.10083	5.6
159.11748	21.7
161.13287	20.2
171.11722	6.3
173.13271	6.8
179.14310	14.1
185.13245	20.0
191.25351	3.4
201.16434	3.4
203.14310	6.1
215.11502	4.9
219.17383	5.0
224.23854	4.4
226.47601	3.6
227.12772	7.9
257.18881	12.5
275.20047	19.0
277.21704	4.5
279.23416	4.5
316.31781	3.5
337.27399	55.3
349.23709	25.1
351.25186	24.1
353.26907	8.8
370.43259	3.9
447.14389	4.6
491.37820	5.8
507.36859	4.9
529.38800	6.8
611.46680	96.8
629.47821	51.5
641.32495	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	664.5143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	36.5
56.77029	7.4
57.03440	9.8
63.25335	6.3
67.05508	79.9
67.40780	5.3
68.71749	6.0
69.07069	31.9
69.20535	5.3
74.55103	5.5
79.05502	38.9
81.07055	98.7
83.08632	31.4
91.05477	39.6
93.07053	48.9
95.08124	5.2
95.08612	74.6
97.10154	45.2
105.07045	32.3
107.08573	54.8
109.06512	8.3
109.10149	39.5
119.08558	15.2
121.10136	28.8
125.09612	49.3
131.08563	12.7
133.10121	24.5
135.11665	12.5
145.10146	12.7
147.11702	28.8
149.09566	7.4
157.10141	9.0
159.11674	11.5
163.11243	7.2
189.11169	21.2
227.12762	78.6
275.20053	28.4
337.27481	49.5
349.23627	32.2
507.36710	12.8
611.46582	100.0
629.47742	43.9
664.48096	7.6
674.20734	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	665.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06588	0.5
85.02887	0.5
86.09676	0.5
97.02895	0.4
107.04940	2.4
113.36548	0.3
117.07026	1.8
123.04438	0.5
124.05266	0.3
133.06146	0.5
137.05992	0.4
141.09779	0.3
145.06499	3.8
155.05986	0.7
167.07025	100.0
173.05969	22.6
175.01134	0.4
175.07507	0.6
177.05504	0.5
181.04945	25.8
189.91278	0.3
191.07024	0.4
201.05444	0.7
205.08601	5.5
218.05673	0.5
221.89203	0.3
227.72208	0.3
233.08060	9.6
235.09644	3.9
238.81659	0.4
267.21643	0.4
387.14273	3.2
399.14346	1.3
417.15430	62.6
636.41193	0.4
665.20453	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	665.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06573	1.1
72.05774	0.6
74.85352	0.5
81.07029	1.9
84.08132	0.6
85.02915	0.9
86.09711	1.1
93.07008	0.8
96.08076	0.8
97.02891	0.8
107.08620	0.9
109.10149	5.7
119.08580	0.7
120.08069	0.9
124.07594	20.0
127.03960	0.8
131.00171	0.7
146.05980	4.2
147.08165	0.6
147.11630	0.9
149.01175	1.1
149.07103	0.6
150.05504	1.2
152.07077	3.1
158.99603	0.7
159.11810	0.9
160.07593	0.5
170.99590	0.8
172.03922	3.0
173.04675	1.1
174.05479	5.0
177.05641	0.7
178.37022	0.5
186.09114	1.0
189.00674	0.8
191.02255	0.8
191.05771	2.1
195.68326	0.6
204.04756	0.8
204.06563	21.4
206.08116	6.5
214.08643	2.4
228.10172	3.3
229.09802	1.2
231.11404	0.8
241.09665	1.3
243.11226	0.9
245.09065	1.2
245.12938	0.8
247.10690	0.9
255.11299	9.5
256.09796	5.0
257.12860	2.1
259.10751	100.0
269.12854	2.6
271.10712	3.2
273.12305	11.0
279.03964	2.5
283.10837	7.6
284.09271	0.7
285.10138	3.2
287.10260	3.6
293.05212	2.3
297.12311	4.9
301.11816	99.1
303.10962	1.3
311.06531	1.1
315.13458	0.7
319.12878	61.0
322.10297	0.9
323.11160	0.8
329.14914	9.3
337.13947	53.4
341.12720	2.4
359.13867	1.1
373.13910	0.6
399.15247	1.0
414.00494	0.6
428.15918	0.6
431.29440	1.1
446.17154	0.8
449.30530	3.2
456.15359	0.6
467.31503	2.6
474.16434	0.7
485.32657	2.4
503.17783	3.8
505.18262	1.4
513.81165	0.7
524.20270	1.2
615.24036	2.4
629.25525	3.6
633.25354	1.3
647.27283	9.2
647.99774	0.7
665.23462	31.1
665.38684	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	665.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93674	1.8
69.03434	18.4
70.06610	2.1
71.04993	12.7
73.02920	3.1
83.08599	3.1
85.02905	40.6
85.06551	5.6
93.07036	2.3
95.08587	5.0
97.02889	90.1
97.10178	4.3
107.08594	16.9
109.10177	8.5
111.24889	2.0
115.03933	75.0
119.08616	2.7
121.10152	2.8
123.11656	3.6
125.09626	27.1
127.03911	3.8
127.11158	3.8
133.10170	2.3
143.10687	42.5
145.10188	4.0
147.11702	4.7
157.04955	100.0
159.11714	4.2
162.45308	2.2
175.06007	66.0
185.13205	4.8
285.07401	2.4
366.24985	2.4
419.33398	7.6
437.34180	18.2
455.34979	4.5
511.84561	3.0
515.02948	2.6
665.35059	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	665.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	1.7
55.05521	2.9
63.17624	1.8
69.03428	17.7
71.04991	14.9
73.06549	2.2
79.05524	1.6
81.07082	6.7
83.08605	3.4
85.02436	2.2
85.02908	35.9
85.06545	10.1
91.61797	1.4
92.21487	2.3
95.08592	3.3
97.02896	84.9
97.10162	10.3
107.08596	17.4
109.10170	12.0
115.03933	68.3
119.08566	2.8
121.10188	2.2
123.11669	7.0
124.09573	1.7
125.09629	31.1
127.03927	6.4
127.11172	2.6
133.10138	2.0
143.10693	51.0
145.10048	1.9
147.11662	3.4
157.04956	100.0
175.06006	53.5
185.13263	3.9
199.14809	2.4
239.17876	1.8
243.76147	1.8
331.22418	1.7
419.33163	7.3
437.34070	14.4
455.35132	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	666.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03421	2.4
70.06581	1.6
81.03408	2.1
81.86137	0.5
85.02924	5.4
86.09733	0.4
87.00820	2.5
87.74433	0.4
88.62693	0.4
91.05501	2.2
97.02873	2.4
99.04445	0.6
105.01871	1.0
109.02874	3.2
119.04945	7.3
120.08044	0.6
126.05502	0.4
127.03919	4.7
131.83029	0.5
145.04900	0.7
147.04411	10.5
154.39139	0.5
157.03949	0.7
159.02885	1.1
173.66235	0.4
175.03894	43.9
192.04160	0.9
207.06520	100.0
216.77979	0.4
231.85828	0.5
307.74521	0.5
333.09769	0.8
351.10724	0.6
369.11761	3.7
455.11981	0.5
504.99310	0.5
666.22650	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	666.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53661	0.9
68.18766	0.9
83.64113	1.0
83.85497	1.1
107.11060	1.0
113.35281	1.0
114.30840	1.1
136.26393	1.2
153.89375	1.2
181.58302	1.2
198.30087	1.1
209.81706	1.1
234.64850	1.2
367.46939	1.3
429.07065	1.1
444.23236	2.1
445.51520	1.0
456.19656	1.3
457.23843	1.1
458.24506	6.7
459.21841	6.9
471.13226	1.0
471.19812	1.3
472.22644	7.1
473.23743	2.5
474.24176	1.1
485.23450	15.6
486.19852	2.3
498.81329	1.3
499.21060	1.5
500.22299	1.6
503.23776	1.7
513.22858	2.3
514.23706	1.7
517.26324	11.7
529.26379	2.0
545.25513	97.3
573.24963	20.4
605.27618	100.0
666.32977	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	666.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53661	0.9
68.18766	0.9
83.64113	1.0
83.85497	1.1
107.11060	1.0
113.35281	1.0
114.30840	1.1
136.26393	1.2
153.89375	1.2
181.58302	1.2
198.30087	1.1
209.81706	1.1
234.64850	1.2
367.46939	1.3
429.07065	1.1
444.23236	2.1
445.51520	1.0
456.19656	1.3
457.23843	1.1
458.24506	6.7
459.21841	6.9
471.13226	1.0
471.19812	1.3
472.22644	7.1
473.23743	2.5
474.24176	1.1
485.23450	15.6
486.19852	2.3
498.81329	1.3
499.21060	1.5
500.22299	1.6
503.23776	1.7
513.22858	2.3
514.23706	1.7
517.26324	11.7
529.26379	2.0
545.25513	97.3
573.24963	20.4
605.27618	100.0
666.32977	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	666.421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
55.05510	2.2
59.18289	1.1
67.05511	15.5
69.07065	5.6
79.05480	3.0
81.03438	1.5
81.07056	16.0
83.04990	6.3
83.08617	1.7
85.02911	2.4
93.07040	6.6
95.08586	14.3
97.02915	1.4
99.08082	2.2
101.41285	1.1
105.07041	10.3
107.04960	1.2
107.08586	16.9
109.06541	2.5
109.10160	78.1
109.10912	2.8
111.08086	1.4
117.07008	1.6
119.08582	15.1
121.10143	9.3
123.08102	1.7
123.11734	2.9
124.36217	1.2
125.09571	1.5
131.08553	5.6
133.06458	13.7
133.10130	11.2
135.04430	6.9
135.08073	14.0
135.11658	3.1
137.09688	1.5
145.10136	15.5
147.08049	2.3
147.11644	11.4
149.05972	16.1
149.09592	5.2
149.13162	4.3
151.07581	2.9
156.09273	1.6
157.10117	5.4
159.08026	2.1
159.11630	9.2
161.13266	10.9
163.07578	2.2
169.10149	1.8
171.11664	7.2
173.09659	6.0
173.13249	8.4
175.11185	10.6
175.14818	18.5
183.11676	2.2
185.13188	8.7
187.11192	7.9
187.14853	7.3
189.12671	5.1
189.16429	2.0
191.14320	1.7
197.13258	5.2
199.14795	4.4
201.12720	2.3
201.16469	1.6
203.14299	9.8
211.14799	2.7
213.16246	4.3
215.14304	48.5
217.15733	1.4
223.14920	1.4
225.16386	2.7
227.17915	1.3
229.15837	5.7
233.15384	11.5
237.16490	1.4
239.17952	2.1
241.15932	2.0
243.17471	1.7
248.18504	1.5
255.17432	2.1
267.17517	2.3
285.18567	2.6
291.20856	1.3
295.20709	2.3
307.20349	1.5
351.23233	4.9
359.23752	1.9
363.26740	1.8
375.26840	1.5
377.24594	1.9
391.25891	2.3
393.27847	11.0
395.25720	4.8
415.30118	9.6
433.31027	100.0
444.58975	1.2
451.32068	95.5
469.33215	20.0
510.36432	1.3
595.35797	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	666.421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.9
58.79314	0.6
66.72340	0.7
67.05499	5.7
69.07059	4.8
74.59420	0.7
79.05489	1.1
80.84993	0.6
81.07075	7.0
83.05001	0.8
83.08634	1.1
85.02891	3.3
85.14076	0.7
87.24380	0.7
91.05484	1.2
93.07052	4.1
95.08607	10.3
97.10136	0.7
105.07029	4.4
107.08611	6.9
109.06476	1.3
109.10160	30.7
111.08043	1.1
119.08587	7.4
121.06441	1.0
121.10112	6.6
122.36144	0.7
123.08090	0.8
123.11683	3.9
125.09666	0.8
131.08560	1.2
133.06543	0.8
133.10130	5.4
135.08020	1.1
135.11682	4.5
143.08571	3.4
145.10107	4.4
147.08028	1.7
147.11661	3.2
149.13258	3.1
155.08519	1.2
157.10126	3.1
159.08064	1.6
159.11685	4.7
161.09578	1.7
161.13242	5.2
163.07471	1.5
169.10139	3.2
171.07977	1.7
171.11665	4.4
173.09633	3.0
173.13251	3.6
175.11038	1.2
177.09088	1.0
181.10030	1.3
183.11662	3.3
185.09639	4.3
185.13268	4.2
187.11166	1.3
187.14804	4.4
195.11633	2.5
197.09602	1.4
197.13242	4.2
199.11169	4.7
199.14697	1.0
201.12669	1.3
201.16393	1.5
207.11601	1.5
209.13237	3.0
211.11191	5.8
211.14783	2.9
213.12810	1.3
213.16418	3.0
221.13208	2.7
222.37944	0.7
223.14780	2.9
225.12700	3.9
225.16391	1.4
227.14264	1.6
229.15691	0.9
235.14798	1.4
237.12733	3.0
237.16359	1.5
239.14235	1.3
239.17912	1.0
241.15773	1.0
243.17554	0.8
249.12688	1.1
249.16359	1.0
251.17914	1.7
253.15916	1.5
255.17462	0.8
261.16281	1.3
263.14130	0.9
265.19598	1.0
267.17563	1.2
270.04697	0.7
275.17844	1.1
277.19516	0.9
279.17529	1.2
281.19034	1.2
289.19019	0.9
293.18729	1.1
305.19174	0.7
305.22507	1.5
307.20667	1.6
309.22098	5.7
317.22345	0.9
319.20670	0.7
321.22156	7.1
323.23630	3.9
325.21365	1.1
327.23132	1.2
333.22079	3.6
335.23697	1.2
339.23334	5.7
343.22922	0.9
351.23239	6.5
363.26910	1.0
365.24625	4.8
369.24219	4.0
377.24652	2.6
381.27792	3.3
387.25290	23.7
387.30344	1.5
391.30103	1.2
395.25858	1.0
403.29776	3.7
415.29623	2.7
421.30963	4.6
433.30951	10.3
451.32047	22.3
469.33105	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	666.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	3.1
67.05513	18.3
68.58641	1.5
69.07075	12.3
69.21465	1.4
69.21855	1.2
71.42433	1.3
73.09081	1.3
79.05505	3.2
81.07069	29.8
83.04984	2.8
83.08608	3.9
85.02913	7.6
85.05329	1.6
85.06560	1.9
91.05494	6.4
93.07050	12.1
95.08616	23.8
97.02892	2.5
97.06558	2.7
99.08085	9.3
102.46510	1.5
105.07030	6.0
107.05042	2.0
107.08605	24.3
109.06515	3.2
109.10161	68.4
111.08051	2.8
117.07038	2.2
119.08585	20.6
121.06508	3.7
121.10140	18.0
123.08077	2.7
123.11725	8.7
125.09695	2.0
127.03977	2.1
131.08554	7.5
133.10135	11.8
135.08058	8.6
135.11694	6.9
137.09653	5.8
139.11137	1.7
143.08574	3.3
145.10121	14.3
147.11710	8.9
149.05962	2.8
149.09579	2.7
149.13269	9.9
151.11159	1.7
157.10133	5.8
159.11697	14.0
161.09634	6.0
161.13307	8.2
163.14830	1.7
169.10110	3.3
171.11679	9.5
173.09644	3.0
173.13293	3.6
175.11180	9.6
175.14864	20.0
177.12817	3.6
183.11723	6.4
185.09584	2.0
185.13278	15.1
187.11230	8.3
187.14868	3.5
195.11690	2.5
197.13280	7.7
199.14807	3.0
201.12691	2.0
203.14342	3.7
207.11678	1.7
209.13271	2.3
211.14799	6.6
213.12807	2.0
213.16380	3.3
215.14429	6.7
221.13348	1.8
223.14944	2.9
225.16325	3.9
227.14224	2.2
229.15840	7.3
231.17445	2.2
235.14790	2.5
239.14285	3.0
241.15759	11.0
251.17883	2.9
253.15904	2.4
255.17491	3.3
257.15189	2.3
259.17020	2.6
265.34915	1.7
267.17526	2.1
269.18964	2.0
281.19110	2.1
285.18610	1.8
293.18875	1.6
295.20502	3.0
307.20645	3.7
325.21567	5.8
333.22314	2.4
371.25696	2.4
377.24625	2.5
395.25888	2.5
415.29813	14.0
433.30997	58.3
451.32086	89.3
469.33160	100.0
613.36902	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	666.4935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19348	1.5
55.05526	3.3
67.05505	8.7
69.07059	3.3
74.71440	1.5
75.61173	1.9
81.07073	17.5
83.08607	1.9
93.07050	2.9
95.08601	12.6
107.08591	2.7
108.73644	1.6
109.10162	3.4
111.04447	13.9
121.10145	1.9
121.68491	1.5
123.11678	4.1
125.26434	1.7
133.10144	2.0
135.11656	2.8
137.05988	100.0
137.13242	1.7
139.07556	1.8
147.11636	6.3
149.09651	2.2
151.11142	1.9
161.09627	6.8
175.11224	3.1
203.17964	4.3
213.16344	3.2
231.17415	8.7
249.18474	2.7
277.17984	18.5
323.96735	2.0
326.36850	1.8
337.27374	16.5
351.21713	16.5
394.62552	2.1
462.90976	1.9
613.44629	80.2
614.99359	2.0
627.71069	2.0
631.45502	8.1
666.50391	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	667.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
54.56631	0.2
55.01881	0.8
57.03431	1.3
58.15221	0.2
61.02898	0.2
69.03435	6.4
70.06579	0.5
71.04976	0.3
73.02927	0.8
75.77715	0.2
76.37589	0.2
81.03421	4.0
82.08691	0.2
84.08149	0.3
85.02443	0.3
85.02914	7.7
86.09689	0.3
87.00832	3.0
87.04453	1.8
92.20956	0.3
92.21433	0.5
97.02898	5.1
99.04456	2.0
105.01875	1.9
109.02878	4.2
115.03903	1.5
117.01849	0.5
118.31332	0.2
127.03903	4.7
129.01842	0.3
133.04907	0.4
133.42839	0.2
137.22043	0.2
145.04944	1.9
147.04457	0.2
159.02870	2.7
177.05444	0.3
201.03780	0.2
213.03963	0.3
231.04970	1.9
287.05487	100.0
299.05264	0.3
300.05499	0.2
319.77612	0.2
327.13272	0.4
329.06488	1.3
353.06491	0.3
419.09769	0.4
535.10834	6.5
604.36975	0.5
667.24481	0.4
667.36438	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	667.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65416	0.3
54.98971	0.3
56.54753	0.3
63.47681	0.3
75.42732	0.4
91.43739	0.5
92.36610	0.4
164.00349	0.5
243.41400	0.5
249.10278	0.4
306.20395	0.5
396.13583	0.8
408.13440	0.6
425.13931	0.6
428.16104	0.8
434.21136	0.6
446.21222	0.5
447.21909	1.8
459.98895	0.5
460.22714	0.5
461.19791	2.5
462.24698	1.0
465.22632	4.4
473.19815	1.9
479.21017	2.9
487.21118	0.8
488.22311	0.7
489.19312	1.9
493.22235	26.4
501.19031	3.6
505.18900	2.8
507.24094	0.7
515.20886	5.1
516.21777	3.2
519.23737	2.2
521.25507	9.1
529.22552	0.7
532.21912	0.5
533.21814	2.8
537.25049	1.9
547.23505	5.1
551.27344	7.7
557.21796	0.9
565.24500	20.9
575.22644	5.2
579.26178	8.7
580.26776	17.7
589.24268	1.1
607.25476	9.0
635.25128	10.2
639.28296	1.0
649.26520	1.8
667.27637	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
55.05528	1.8
57.37361	1.2
67.05518	8.6
69.03429	12.4
69.07075	10.0
71.04980	1.2
73.02921	2.5
79.05502	2.7
81.03422	10.6
81.07070	12.4
83.08643	2.2
84.08182	1.6
85.02911	18.7
86.09717	1.8
87.00854	6.5
91.05489	2.9
93.07056	8.9
95.08612	23.2
97.02889	10.0
99.04459	7.7
105.01868	3.5
105.07035	11.6
107.08601	15.4
109.02902	11.8
109.10168	20.7
119.08598	21.4
121.10120	10.9
123.11726	3.2
127.03937	22.4
131.08591	7.9
133.10109	15.3
135.11703	2.4
143.08641	6.7
145.05011	5.3
145.10135	14.6
147.11674	10.4
149.13258	5.9
153.94443	1.3
157.10130	11.9
159.02914	6.7
159.11659	12.7
161.06140	1.5
161.13315	6.4
169.10191	5.5
171.11691	12.1
173.13203	10.2
175.14835	6.7
177.16377	1.5
181.10101	2.8
183.11688	8.4
185.13300	10.5
187.14873	8.7
189.16335	2.4
195.11726	3.3
197.13321	6.9
199.14899	7.1
201.16415	2.4
207.11797	2.7
209.13304	6.6
211.14931	3.3
213.16490	6.9
215.18085	1.5
221.13268	2.8
223.14871	5.4
223.41664	1.4
225.16435	7.0
227.17969	6.2
231.13957	1.4
232.04913	1.3
237.16454	7.2
239.17975	9.0
241.19659	1.8
247.14911	1.6
249.16512	2.3
251.18042	2.9
253.19594	6.4
255.21306	1.7
261.16580	2.0
262.17166	1.5
263.18051	2.1
265.19647	6.5
267.21234	2.7
275.17932	3.2
277.19589	5.8
279.21210	6.4
291.21246	5.8
292.22046	1.7
305.22827	2.3
315.21283	1.9
317.22693	2.6
319.24240	5.9
345.25967	1.8
401.32016	57.6
419.33115	12.8
451.32291	2.1
487.34116	12.1
649.37567	6.3
667.38403	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.6
55.01888	1.0
55.05523	3.6
57.03435	0.9
57.07083	1.6
61.02932	1.5
61.74740	0.6
62.71217	0.8
67.05511	7.4
68.99770	0.8
69.03433	13.5
69.07066	7.6
70.06604	1.8
73.02911	1.3
75.08742	0.9
77.69949	0.9
79.05497	1.8
81.03429	13.1
81.07065	12.7
83.08611	1.4
85.02906	22.3
86.09702	1.7
87.00835	8.0
91.05494	3.7
93.07047	13.1
95.08612	24.6
96.36066	0.8
97.02888	11.1
97.10181	1.1
99.04456	7.2
101.02357	1.2
105.01865	7.1
105.07039	10.3
107.08606	15.6
109.02879	14.8
109.03548	0.8
109.10150	16.8
115.03950	1.0
117.01829	1.1
117.07030	1.6
119.08586	23.2
121.10130	13.3
123.08105	1.2
123.11734	4.8
127.03926	21.4
129.01836	1.5
129.07016	3.4
131.08566	6.6
133.10115	14.8
135.11708	7.0
137.13263	1.2
143.08545	6.4
145.04991	4.9
145.10141	18.0
147.02956	0.9
147.11711	13.1
149.13278	5.0
155.08542	1.9
156.09344	1.2
157.10101	14.5
159.02924	8.1
159.11670	17.7
161.13248	9.5
163.14812	3.2
167.40584	0.8
169.10123	6.3
171.11658	14.6
173.13255	14.8
175.14848	7.8
181.10185	3.6
183.11671	8.6
185.13252	10.0
187.14835	7.6
189.16458	2.0
191.18102	1.0
195.11722	6.8
197.13220	9.6
199.14786	9.0
201.16443	4.9
207.11745	4.2
209.13231	6.4
211.14793	7.2
213.16377	10.4
215.17949	1.4
221.13319	4.8
223.14777	8.4
225.16415	6.5
227.17877	8.5
231.05045	1.6
233.13333	1.1
235.14885	4.7
237.16440	5.8
239.17955	7.6
241.19574	5.6
247.14876	3.2
249.16458	5.6
251.17955	6.0
253.11745	1.0
253.19562	5.6
255.21225	1.4
261.16461	1.4
263.17975	5.4
265.19507	10.6
267.21158	5.5
275.18021	3.4
275.65408	0.8
277.19662	5.9
279.21164	5.2
283.20752	1.1
289.19656	1.0
291.21210	4.3
293.22647	4.6
301.07004	1.7
303.21249	4.5
305.22736	2.0
317.22568	3.6
319.24307	4.8
331.24185	1.5
345.25928	3.7
349.12082	0.9
358.26575	1.5
380.30927	1.0
399.30453	1.2
401.32001	69.0
403.33618	1.6
417.31598	2.1
419.32974	12.6
535.92084	0.9
623.39154	1.5
631.36383	3.3
649.36884	6.7
667.38385	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	667.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
55.05528	2.0
55.82945	1.2
57.03455	1.6
60.16442	1.5
61.02912	2.7
67.05507	7.2
68.73937	1.4
69.03439	13.2
69.07072	6.4
69.50074	1.3
71.05004	2.7
73.02908	1.4
75.84046	1.2
75.84545	1.4
78.08241	1.3
79.05515	2.6
80.55825	1.3
81.03429	16.6
81.07069	14.5
83.08666	2.2
85.01056	1.3
85.02908	23.7
87.00840	9.7
91.05492	6.2
92.21564	1.3
93.07027	14.7
95.08609	25.9
97.02908	9.0
99.04449	7.7
105.01883	3.4
105.07027	11.9
107.08589	18.2
109.02904	18.0
109.10140	17.2
109.71114	1.6
117.07046	3.2
119.08595	22.9
121.10173	13.2
123.04466	1.7
123.11721	5.4
127.03927	20.9
129.01860	3.1
131.08603	7.4
133.10126	15.0
135.11739	9.0
139.97142	1.3
143.08582	8.7
145.05009	5.7
145.10124	16.6
147.11713	12.8
149.13290	8.1
155.08591	3.3
156.09346	1.9
157.10139	12.4
159.02940	7.0
159.11710	13.9
161.13295	8.3
163.14812	2.0
167.08553	1.5
169.10117	6.5
171.11647	16.2
173.13263	14.1
175.14879	7.7
183.11690	10.6
185.13210	11.3
187.14810	11.3
189.16380	2.3
195.11729	6.2
197.13287	5.7
199.14890	7.4
201.16452	6.2
205.59798	1.6
207.11694	2.6
208.12463	1.5
209.13304	9.6
211.14752	10.0
213.16435	8.9
215.18073	1.9
221.13387	5.3
223.14792	9.9
225.16441	8.1
227.17969	7.6
235.14845	5.7
237.16347	10.9
239.17940	3.1
241.19652	2.7
249.16466	3.3
251.15700	2.0
251.18053	8.2
253.19595	7.6
263.17957	2.8
265.19644	8.1
267.21109	1.9
277.19705	5.1
279.20987	3.1
289.19528	2.5
291.21115	5.9
317.22574	1.9
319.24280	2.1
331.24261	2.4
359.27393	1.8
361.29019	7.3
401.32022	37.9
417.31586	3.3
419.33105	17.3
437.33984	1.9
605.38702	2.2
630.00092	1.8
631.37195	2.6
649.36975	13.1
667.38428	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.3
55.01889	1.8
55.05511	1.5
57.03436	1.2
66.55246	0.9
67.05514	8.4
67.05840	0.9
69.03425	13.6
69.07069	7.8
71.04994	1.5
73.02924	1.8
79.05511	5.4
81.03425	16.0
81.07062	16.8
83.08628	2.0
85.02916	20.8
87.00826	9.9
91.05496	4.4
93.07041	13.8
95.08607	25.5
97.02888	9.1
99.04452	8.5
105.01883	6.2
105.07027	9.9
107.08593	15.8
109.02887	18.2
109.10165	16.2
117.07014	1.9
119.08585	21.6
121.10142	11.6
123.11716	5.0
127.03904	19.6
129.01839	1.4
129.07004	1.7
131.08595	7.1
131.33815	1.1
131.70918	1.1
133.10139	11.7
135.11717	7.4
138.33803	1.0
142.07872	1.2
143.08556	8.4
145.04948	4.1
145.10114	26.3
147.11682	9.7
149.13286	3.9
155.08601	4.0
157.10132	8.7
159.02945	8.1
159.11661	13.8
161.13231	7.3
162.10963	1.4
163.14815	1.9
169.10130	9.8
171.11684	13.9
173.13307	10.6
173.14638	1.3
175.14867	4.4
179.08534	1.2
181.10156	4.3
183.11656	13.8
185.13254	9.5
187.14767	8.9
193.10159	2.2
195.11731	8.3
197.13310	7.1
199.14891	5.3
201.16460	4.9
207.11674	2.4
209.13309	11.2
211.14799	8.7
213.16351	8.3
215.17961	2.3
221.13277	7.6
222.14159	2.2
223.14914	7.0
225.16440	6.1
227.17993	4.0
231.05080	1.3
233.20613	1.0
235.14847	4.3
235.67433	1.1
237.16364	16.6
239.17984	6.5
245.24106	1.0
249.16501	5.6
251.03743	1.2
251.17903	9.0
253.19388	9.3
263.18027	4.9
265.19644	6.5
267.21146	1.7
275.17960	2.3
277.19604	4.7
279.21011	2.4
289.19650	1.8
291.21002	7.9
292.21863	5.9
293.22626	2.1
305.22870	1.5
307.23938	1.0
317.22586	1.4
319.24667	1.2
359.27264	1.9
361.28958	5.8
401.32050	37.8
417.31580	1.8
419.32996	10.9
463.22144	1.2
549.01617	1.1
631.36176	1.8
649.37396	9.4
667.38416	100.0
692.89496	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	667.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	4.3
57.03448	1.0
57.07085	1.6
67.05509	5.1
69.03432	7.5
69.07072	6.7
70.06595	3.6
71.04980	1.4
73.50552	0.7
79.05496	1.4
81.03428	10.1
81.07060	19.4
82.06500	0.8
83.08627	4.1
84.08155	2.0
85.02918	11.4
85.06561	6.4
86.09714	4.6
93.07032	7.7
95.04961	1.8
95.08617	19.0
97.02891	6.1
97.06519	1.3
97.10168	1.6
99.04471	3.6
99.08105	3.8
103.03938	6.0
105.07038	4.3
107.08595	10.2
109.02910	8.6
109.10154	13.5
119.08582	4.4
121.10146	10.3
123.11713	7.0
125.09628	6.5
127.03898	15.1
131.08575	1.2
133.10127	4.5
135.11703	9.1
137.13231	2.2
139.11115	1.7
145.04973	3.6
145.10127	2.2
145.31989	0.8
147.11682	8.2
149.13292	6.3
153.66405	0.8
159.11700	2.2
161.13226	4.1
163.14786	1.9
166.08722	0.9
173.13170	1.6
175.14896	1.2
177.05486	1.3
177.16441	4.8
179.14284	0.9
187.05995	1.6
189.16370	1.0
191.17921	1.5
195.17456	2.2
205.06934	1.8
213.18414	6.7
215.18011	3.0
259.26123	0.9
271.24185	2.0
288.97461	0.9
289.25305	12.6
289.46759	1.0
295.26312	4.9
301.07059	100.0
307.26254	11.3
325.27286	7.0
329.90103	1.0
343.28436	7.6
463.06320	1.6
463.12329	29.4
463.17828	1.1
469.32666	1.5
487.34064	3.9
510.22299	1.0
526.21124	1.3
667.28918	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	667.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57577	1.1
53.68461	1.0
55.05519	3.1
67.05511	21.4
69.03418	2.2
69.07069	9.4
71.04964	2.0
79.05483	2.3
81.07067	18.9
83.04991	2.3
83.08620	2.0
85.02898	6.5
91.05472	2.1
93.07028	7.1
95.08604	14.9
97.06554	9.6
99.08118	2.0
102.86035	1.5
105.07034	13.2
107.08598	20.8
107.18002	1.2
109.06508	3.2
109.10159	95.7
111.08067	2.5
119.08578	12.3
121.06508	5.2
121.09403	1.3
121.10104	9.3
123.08064	2.5
123.11695	6.2
125.09614	9.5
127.11151	1.8
131.08597	5.9
131.57060	1.4
133.10126	11.7
134.97279	1.3
135.08058	10.3
135.11674	3.0
137.09644	2.3
143.08549	2.5
145.06500	1.4
145.10152	10.4
147.08061	2.5
147.11679	8.2
149.09613	8.1
149.13237	7.1
151.11186	64.7
151.99599	1.2
157.10138	5.5
159.08069	2.3
159.11711	8.5
161.09657	7.4
161.13248	7.7
163.11151	1.5
163.14731	1.8
165.12691	1.4
169.12225	40.9
171.08026	2.4
171.11678	6.1
173.09612	5.3
173.13248	3.0
175.11276	2.1
175.14809	6.6
183.08232	1.4
183.11601	2.0
185.09586	3.1
185.13228	10.0
187.11215	11.5
187.14807	6.8
189.12755	1.9
189.16385	3.0
195.11687	2.5
197.13257	3.2
199.11169	2.8
199.14845	3.3
201.12772	1.9
201.16451	2.0
203.14311	3.1
209.13242	1.7
211.14758	2.3
213.12802	3.0
215.14389	9.8
217.15845	1.7
225.12723	1.9
227.14146	10.6
229.15848	2.1
231.13826	5.4
235.14935	1.9
245.15338	8.8
287.05450	2.3
301.18073	1.7
309.22333	3.0
343.22446	2.4
361.23593	3.0
369.24469	2.8
411.29144	1.9
415.29834	2.5
431.65225	1.4
433.30917	15.7
451.32040	44.6
469.33154	100.0
487.34174	25.5
505.35052	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	667.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09541	1.7
55.05526	3.1
58.50902	1.5
60.52709	1.7
67.05239	1.7
67.05517	29.6
69.03452	2.6
69.07070	10.2
70.06598	18.9
70.35193	1.5
74.25752	1.7
79.05495	2.2
80.20267	1.7
81.03433	2.1
81.07077	18.0
83.08620	3.9
84.08144	2.9
85.02898	7.8
85.06602	1.8
86.09696	7.4
93.07045	11.0
95.08627	21.2
97.02827	2.6
97.06536	8.3
105.07037	11.7
107.08601	23.0
109.06514	2.2
109.10160	100.0
109.20554	1.6
110.07196	2.4
114.43616	1.6
118.59776	1.8
119.08578	9.1
121.06522	2.6
121.10147	10.0
123.08102	2.8
123.11705	8.5
125.09640	3.2
127.11244	1.7
129.10240	2.2
131.04942	1.9
131.08565	2.4
133.10153	8.7
135.08054	8.6
135.11661	1.7
137.05971	2.0
137.09648	2.1
143.08536	3.7
145.06544	2.0
145.10092	7.7
147.08060	3.9
147.11684	13.2
149.09579	2.2
149.13248	2.1
151.11185	42.0
157.10069	1.9
159.08101	3.3
159.11673	8.5
161.09650	7.4
161.13293	2.9
165.01227	1.7
167.19203	1.8
169.12233	27.5
171.08009	3.4
171.11731	7.1
173.13210	2.5
175.14838	4.1
185.09604	7.8
187.11194	11.6
187.14771	7.7
189.12733	2.4
189.16408	2.0
193.02632	2.0
195.11737	2.6
197.13251	7.3
199.11131	4.2
199.14821	3.9
201.12695	2.8
201.16402	3.2
203.14322	2.9
211.14911	1.9
213.12735	2.6
215.14281	9.3
223.11087	1.9
225.12619	2.5
225.16287	2.8
227.14375	10.9
229.15904	2.7
242.69275	1.6
245.15392	9.0
251.14307	2.3
253.15955	2.1
267.17603	2.2
283.16998	1.9
301.18073	2.9
323.20187	2.3
343.22775	4.1
351.23221	3.2
361.23740	2.5
381.24686	1.9
411.28955	7.4
433.31000	23.2
451.32117	66.6
469.33179	97.0
487.34457	17.0
505.35236	15.6
593.88629	1.9
667.33502	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	667.433
Annotation	Unknow
Peak:m/z	Relative Intensity
67.93456	1.0
68.93384	1.1
70.10279	1.2
70.55986	1.1
70.82433	1.0
80.45821	1.1
95.18610	1.3
99.64093	1.2
130.50607	1.3
148.58037	1.3
290.33997	1.3
667.43427	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4542
Annotation	PG(16:0/12:0)
Peak:m/z	Relative Intensity
55.82473	1.3
67.05518	1.4
71.12240	1.1
81.07054	2.0
83.08606	1.5
92.20956	1.2
93.07056	1.5
95.08601	1.4
99.50134	1.0
128.20807	1.1
134.58200	1.1
135.21068	1.1
333.20392	4.4
340.36099	1.1
398.08533	1.1
406.39337	1.2
667.45386	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4539
Annotation	PG(16:0/12:0)
Peak:m/z	Relative Intensity
51.90236	0.5
53.88773	0.5
67.05513	1.4
70.96751	0.5
81.07059	2.6
93.07027	0.7
95.08607	1.2
107.08669	0.7
120.75629	0.6
333.20441	4.6
369.98871	0.8
389.23160	0.7
617.24127	0.7
667.29370	6.7
667.45477	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4542
Annotation	PG(16:0/12:0)
Peak:m/z	Relative Intensity
59.06129	4.5
65.02344	1.6
67.05511	2.0
70.20047	2.0
74.09296	1.7
118.65231	2.3
146.03992	2.1
220.35326	2.4
292.20316	2.3
298.35779	2.0
359.21719	2.3
667.45422	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79510	1.7
57.95240	1.6
59.54114	1.8
63.04924	2.0
65.27362	2.0
121.69787	2.1
208.32274	2.2
223.12572	2.1
237.13580	2.3
291.08670	2.4
433.20020	3.1
435.21671	3.2
447.18076	2.3
462.20578	3.8
463.21140	5.0
475.21085	3.1
479.20993	4.1
489.23361	2.9
491.20480	3.6
494.15286	4.4
503.20450	4.0
507.20331	17.3
517.22070	3.6
521.13843	18.7
549.24976	3.5
550.25848	3.1
577.24634	4.7
581.27466	14.5
609.27148	100.0
641.27869	2.3
668.19220	8.4
668.28809	47.5
668.45099	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	668.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
66.29326	1.2
67.57076	1.0
68.26238	1.0
82.13068	1.1
86.26043	1.2
92.21571	1.1
124.30330	1.1
298.13388	4.9
329.15237	1.6
400.40796	1.3
420.19000	1.3
435.21646	2.1
447.17743	2.3
448.18420	1.6
461.19498	2.1
462.20313	5.7
463.21127	7.1
463.99811	1.3
476.21365	1.5
479.20529	5.2
489.23178	1.8
491.20627	6.1
503.20651	6.1
507.19763	8.7
517.22388	4.6
521.20868	1.7
521.26172	1.6
535.23389	2.6
539.10138	1.4
549.25055	2.8
550.25214	4.2
566.25079	1.9
577.24249	2.9
581.27454	10.6
609.27063	100.0
636.25140	2.0
639.24542	1.5
668.17664	2.0
668.28363	39.0
671.67261	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	668.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	6.3
57.07071	7.5
59.78867	3.4
67.05499	17.6
69.03449	6.2
69.07066	23.6
70.06556	4.5
74.26205	3.8
76.71458	4.7
79.47375	4.2
81.03391	4.9
81.07063	40.4
83.08622	28.8
85.02908	45.3
85.06518	3.8
88.31921	4.0
93.07041	28.6
95.08609	78.1
97.06525	7.1
97.10160	5.9
99.04454	21.9
103.03940	56.5
105.07065	8.3
107.08588	30.1
109.02902	17.3
109.10152	45.0
111.08083	7.3
119.08572	9.9
121.10136	18.8
123.11678	19.6
127.03909	75.0
133.10123	17.1
135.11676	17.8
137.13187	6.6
145.04944	28.6
145.10139	5.5
149.13277	41.0
149.14282	4.7
163.06029	8.1
167.14400	7.9
179.14268	5.8
204.23277	4.0
269.99695	4.3
291.26855	33.0
307.10300	7.1
309.20706	6.4
309.27866	100.0
336.10669	4.5
353.24457	4.4
417.30865	7.5
435.32159	22.3
453.33240	20.9
471.34021	7.0
515.11237	4.3
545.73969	4.4
597.35785	6.8
634.36285	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	668.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02477	0.6
55.05500	1.4
58.51646	0.8
59.77616	0.8
62.83001	0.7
64.22593	0.8
67.05511	23.6
67.54967	0.7
67.60039	0.7
69.03423	1.1
69.07065	4.6
77.41496	0.9
79.05500	1.5
81.07060	14.2
83.04995	1.2
85.02924	3.9
91.05489	1.3
92.21606	1.4
93.07070	6.5
93.07588	0.8
95.04964	1.2
95.08612	12.3
97.02854	1.6
97.16277	0.8
99.08096	0.9
105.07036	4.1
107.08608	9.1
109.10159	100.0
111.08049	1.1
117.07023	1.1
119.08588	10.5
121.06464	1.2
121.10138	13.5
123.11699	5.0
127.03884	1.3
131.08572	1.8
133.10104	8.5
135.08043	1.3
135.11708	5.2
139.11179	0.8
143.08551	1.8
145.10135	5.6
147.08063	1.7
147.11655	8.5
149.09653	1.2
149.13261	3.8
157.10146	4.8
159.08043	0.9
159.11700	6.6
161.09607	1.2
161.13268	4.2
169.10179	3.3
171.11707	5.1
173.09636	1.9
173.13287	5.3
175.11150	2.0
175.14844	3.4
177.05382	0.8
183.11650	1.8
185.13240	4.8
187.11256	0.9
187.14847	4.6
189.12744	1.0
197.13217	3.5
199.14876	1.8
201.12715	1.8
201.16304	1.6
203.14346	1.4
205.15823	1.2
208.93126	1.0
209.13333	1.6
211.14865	1.9
213.12700	1.2
213.16406	1.8
215.14423	1.3
215.18059	1.1
223.14769	1.8
225.16382	3.4
227.17938	3.1
229.15984	0.8
233.15445	1.1
237.16423	0.9
239.17979	3.3
241.19492	4.5
243.17441	3.2
245.74127	0.8
251.17911	1.8
255.17432	0.9
265.19662	1.0
269.18915	6.0
309.22198	1.2
313.21729	1.1
327.23117	1.7
340.50482	1.0
345.24210	6.0
349.25101	1.0
365.28439	1.7
367.26358	0.8
399.30124	1.0
417.31488	8.7
435.32590	28.0
453.33572	35.4
471.34714	53.9
637.42389	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	669.255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63887	0.8
73.99162	0.8
81.07064	1.0
87.60020	0.9
121.10136	1.3
133.00850	1.0
204.24030	0.9
234.11412	0.9
266.06656	1.1
282.93802	1.1
304.66626	0.9
346.27155	33.5
449.19681	4.9
458.21072	4.2
476.21970	2.1
477.22974	10.7
487.17709	2.0
488.21719	2.3
495.23691	3.7
496.20798	1.1
503.20651	2.3
524.20013	8.1
531.20459	1.8
535.19592	1.9
536.20599	5.1
537.21808	1.6
545.22040	7.5
549.21515	1.8
559.19855	2.0
563.22748	5.1
565.21600	1.4
575.23059	1.8
591.22205	13.6
609.23236	1.2
623.25391	1.2
628.20935	4.4
637.25598	5.9
646.22339	1.9
651.24579	5.8
669.25562	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	669.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.2
61.14936	2.2
61.35400	2.2
67.05514	4.7
69.03435	11.3
73.02908	2.7
79.05485	2.3
81.03421	9.6
81.07073	5.9
85.02909	17.0
87.00838	3.7
93.07029	4.1
95.08601	14.5
97.02900	9.5
99.04448	2.2
103.04012	2.4
105.07048	3.8
107.08612	3.1
109.02895	14.6
109.10134	10.0
113.75191	2.5
119.08588	5.1
121.10131	4.7
124.14557	2.4
127.03903	22.7
128.63512	3.0
129.29712	2.3
133.10136	4.7
141.07919	2.3
145.10123	5.8
147.11711	4.8
149.13210	3.4
159.02905	3.6
159.11691	10.1
161.13286	9.6
171.11736	5.0
175.14812	5.4
187.14903	3.6
201.16498	9.8
225.16258	3.0
251.18008	3.8
301.07126	5.8
403.33578	14.8
409.20142	3.5
421.34735	4.6
431.22449	3.6
446.20935	3.6
459.21671	13.0
461.19254	3.8
474.20807	4.7
475.21420	3.2
478.19531	3.0
487.21265	23.2
488.22549	2.6
491.24762	3.3
501.19180	3.3
505.22119	11.2
515.21100	3.7
519.24432	19.0
537.24963	4.7
547.15857	2.9
547.23462	50.3
555.32916	2.8
575.22815	6.1
607.24951	11.4
625.26813	19.0
651.15790	3.2
651.24615	42.2
669.25220	100.0
669.39496	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	669.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85777	2.0
56.21569	2.7
58.86614	2.8
61.28318	2.4
63.20185	2.5
66.28757	2.5
69.07120	2.6
79.44222	2.9
88.21132	3.0
89.15346	2.7
128.94771	2.7
139.82838	3.3
337.11993	3.7
413.41888	3.4
449.19336	4.0
461.19550	3.2
476.22034	5.6
477.22672	12.6
487.17303	3.9
495.23819	6.1
536.21600	3.4
545.21710	6.0
575.22180	3.7
577.24347	15.5
591.21991	15.9
637.26123	22.5
651.24261	6.4
669.25586	100.0
669.39221	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	669.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26996	0.8
68.65546	0.8
80.11879	1.0
80.31350	0.9
92.20850	1.1
142.05392	0.9
143.52596	1.2
228.71611	0.9
237.13789	1.3
435.21872	5.8
439.21283	6.3
442.18591	1.1
446.20865	3.9
447.21780	2.1
449.23062	4.4
451.21222	4.0
453.23044	11.8
457.19980	1.9
460.22485	2.1
461.23477	5.7
462.20599	10.5
463.21304	3.9
473.23822	1.5
475.21326	1.4
476.22577	1.6
479.20715	6.4
485.19629	1.6
489.22903	1.2
491.21011	4.1
492.21509	1.3
494.23230	4.7
497.21719	11.4
499.21390	10.7
500.21814	4.6
501.22928	2.1
505.22321	1.6
506.23599	1.5
509.21194	1.5
511.22632	2.3
517.22430	14.0
518.19324	4.0
520.21564	1.2
523.23553	3.7
527.20758	13.3
528.21722	1.6
531.23645	1.3
543.23383	4.2
561.20819	1.8
563.22607	1.5
587.22949	14.6
593.27429	4.2
619.25470	18.5
625.26904	1.8
627.24524	9.5
637.26550	73.4
669.25568	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	669.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13395	0.8
56.95635	0.8
63.12627	1.1
65.17490	1.0
70.95331	1.0
75.62994	1.0
85.01392	1.2
95.08642	1.6
102.54248	1.1
108.74788	1.1
147.24919	1.1
153.33202	1.1
173.15140	1.0
196.69012	1.1
204.93872	1.3
223.12277	1.0
253.13351	2.3
431.33646	1.3
461.20081	1.8
463.21078	7.1
467.24103	1.5
475.21564	1.6
476.21841	1.7
480.20956	1.3
490.23541	1.2
491.24228	7.0
494.22159	1.5
495.23315	2.3
502.20264	1.5
503.20953	1.6
521.22552	1.8
535.23370	2.2
539.26123	2.0
549.24603	1.7
550.25354	5.5
553.25952	1.1
554.28082	6.8
564.26886	5.2
565.27740	4.9
567.25433	5.1
577.24854	1.7
581.27185	5.5
582.28143	24.5
609.27478	9.6
610.27350	1.6
637.26563	11.9
640.28430	9.3
641.29150	8.6
651.28314	7.7
654.26782	7.5
669.28680	100.0
669.45911	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	669.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40202	0.9
52.90234	0.8
76.89286	1.0
81.68404	1.0
82.95123	0.9
83.07036	1.0
103.59042	1.1
163.94818	1.0
265.13391	2.1
277.13431	2.4
279.14911	1.4
384.13507	1.2
479.24487	1.3
486.20364	2.4
487.21536	1.4
501.22809	6.3
503.20834	4.8
517.18842	1.7
518.23224	1.5
519.24249	2.2
527.20502	2.1
529.23315	1.5
531.19861	2.2
545.21454	2.0
555.20123	1.4
559.19482	2.0
563.22314	7.4
573.21442	1.6
591.77032	1.3
605.23981	7.7
637.26508	23.5
669.29156	100.0
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
51.41331	0.7
52.43763	0.7
53.68863	0.8
77.74059	1.0
95.63973	0.9
99.91296	0.9
111.50219	0.9
223.12407	1.3
225.13724	1.0
237.13873	3.7
249.13870	1.3
449.23035	1.5
456.68600	1.1
457.20175	4.6
458.20929	1.5
470.17087	3.6
471.21753	5.6
472.22522	2.0
475.21048	4.4
484.18686	1.4
485.19397	4.6
489.22998	3.5
491.20145	1.3
499.21457	26.6
500.22357	10.6
501.18915	2.1
502.20520	1.8
503.20770	9.8
508.63950	1.3
511.20996	4.0
513.19305	5.4
515.23395	1.0
517.22424	20.9
518.23322	3.6
527.20764	46.1
528.21759	7.4
531.23682	1.9
533.21985	1.4
535.23431	1.7
543.24005	16.9
545.21936	10.1
555.19891	3.8
559.23328	5.1
564.27380	2.3
567.25897	1.5
587.13971	1.9
587.22882	32.6
605.23779	2.0
619.25482	100.0
637.26575	81.3
669.29150	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	669.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53962	3.7
51.04644	3.1
65.59242	3.4
66.89824	3.7
88.85618	3.5
95.61673	4.6
97.45247	3.8
110.45392	4.0
114.60815	3.8
117.55569	3.9
120.64252	4.2
126.40981	4.5
138.90938	4.0
182.87047	3.8
184.96672	3.9
275.82907	4.3
357.05893	4.9
372.90695	5.8
399.13242	5.1
453.22519	5.8
457.20355	4.5
461.23672	6.0
462.20078	6.0
471.21893	5.1
491.20856	4.9
497.21912	4.7
499.21466	36.4
500.21957	7.2
504.63910	4.3
517.22205	24.3
527.20844	58.7
543.23676	15.3
545.22168	6.2
587.22925	46.9
619.25714	78.0
627.24255	9.0
637.26587	100.0
638.56177	5.2
669.25500	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	669.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
59.87326	0.6
76.20707	0.7
161.31746	0.8
235.46313	1.0
251.60812	0.8
293.79166	0.8
435.21985	1.5
436.22769	1.6
441.22903	1.0
449.23608	3.3
461.19446	1.0
463.20877	15.3
473.23712	1.5
475.21204	1.3
476.22223	3.2
490.23755	1.7
491.24588	1.0
493.18829	1.1
495.23795	13.4
506.19254	1.0
507.23993	4.1
521.25519	1.7
522.26251	4.2
523.27112	31.6
531.23785	1.3
533.26233	1.4
535.23682	3.6
549.24725	1.9
550.25647	7.2
551.26678	2.9
564.27350	1.5
567.26044	3.1
577.24457	1.4
582.28351	15.5
609.27179	1.5
637.26184	1.0
669.29230	100.0
669.45819	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	669.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81148	1.2
69.75840	1.6
71.45975	1.1
81.07032	1.2
92.21603	1.5
95.08591	1.9
95.54707	1.5
113.22699	1.3
183.23740	1.4
188.01944	1.3
190.03629	1.8
237.14064	2.0
249.10252	1.5
249.13895	1.6
408.34140	1.4
423.53629	1.4
442.17380	2.2
443.18277	1.7
457.20151	5.9
469.16629	1.9
470.17462	1.9
471.21600	3.0
472.22522	2.2
475.20944	5.7
485.19403	9.0
489.22836	2.9
491.20706	5.0
499.21494	28.7
500.22238	9.8
501.18817	2.2
502.19501	1.7
503.14053	1.6
503.20465	12.1
511.20728	5.7
512.18396	5.2
513.18903	6.5
516.20703	1.8
517.22522	22.3
527.20801	43.6
528.21680	3.2
533.21704	1.8
543.23956	14.8
545.21484	8.2
555.20129	5.7
559.23102	7.4
587.22937	31.4
619.25494	100.0
637.26672	63.0
669.28998	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	669.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
66.62172	0.7
78.61632	0.7
81.94105	0.7
102.98145	0.6
112.50812	0.6
154.44016	0.7
168.19362	0.7
213.34851	0.7
447.21881	4.8
465.22885	6.5
472.21860	0.8
473.17157	0.9
473.23682	3.9
474.24268	1.3
479.24442	46.5
485.23373	1.8
487.24988	7.9
488.25775	1.3
491.24399	19.1
500.21365	1.0
503.24698	3.2
505.26047	1.7
507.27682	1.5
508.28189	0.8
517.26666	0.8
532.24298	1.3
545.25403	16.7
546.26434	4.3
549.24896	3.8
551.26489	14.3
563.26874	1.7
564.27313	16.5
566.28876	25.1
567.29993	3.5
573.24725	0.9
577.28204	4.0
581.27588	1.0
595.29205	1.5
605.27686	12.3
610.30273	1.0
637.30151	17.0
669.32843	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	669.399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.4
55.01881	2.6
55.05513	3.2
56.52872	1.1
57.03456	1.4
67.05518	8.0
69.03436	22.2
69.07079	9.6
70.55489	1.3
70.73487	1.3
73.02934	2.5
79.05508	6.3
81.03434	18.2
81.07068	15.9
83.08635	2.2
83.82069	1.4
85.02910	30.5
87.00835	11.0
91.05474	6.8
93.07040	13.4
95.08611	42.3
97.02903	12.9
97.10171	1.9
99.04449	9.8
105.01873	10.0
105.07039	19.1
107.08597	18.4
108.29797	1.3
109.02889	18.2
109.06530	2.0
109.10143	16.7
115.03934	1.8
117.07048	1.8
119.08580	22.8
120.27789	1.2
121.10165	13.1
123.11713	3.3
127.03925	22.7
129.01889	2.6
131.08598	10.2
133.10136	11.1
135.11722	8.7
143.08578	5.4
145.04980	6.7
145.10133	23.5
147.11717	11.5
149.13251	5.2
155.08586	5.3
155.82115	1.4
157.10127	12.0
159.02882	9.3
159.11703	22.6
161.13260	28.8
163.14839	2.0
169.10173	6.8
171.11702	11.5
173.13237	15.4
175.14807	13.4
183.11676	9.2
185.13277	9.1
187.14847	16.2
189.16438	3.3
195.11774	2.7
197.13274	9.5
199.14885	8.3
201.16391	16.0
202.31630	1.4
203.17932	4.6
209.13422	1.5
211.14890	5.6
213.16371	2.6
215.18037	5.9
225.16418	6.1
227.18007	8.9
229.19490	1.5
231.04977	1.8
237.16396	2.9
239.17946	8.0
251.17856	9.6
253.19580	7.5
255.21198	2.7
267.21097	5.6
269.22705	1.7
273.65137	1.3
279.21140	5.6
281.22870	1.4
293.22580	6.1
294.23590	1.8
295.24414	2.3
347.27380	1.8
363.30551	6.3
403.33597	53.1
419.33310	1.8
421.34702	7.4
446.55313	1.4
611.35614	1.8
651.39001	9.3
669.40015	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.1
55.05526	5.9
56.51012	1.0
57.03433	1.2
60.22504	0.9
61.02940	1.1
66.78233	1.3
67.05516	6.5
68.36183	1.3
69.03439	15.1
69.07070	14.4
73.02908	1.3
76.48228	1.2
79.05505	2.4
81.03429	14.3
81.07061	17.1
83.08621	5.4
85.02912	29.5
87.00834	7.1
91.05481	3.2
93.07060	15.0
95.08616	31.8
97.02916	9.7
97.10155	2.4
98.29240	1.4
99.04445	5.1
105.01884	6.4
105.07038	18.8
107.08595	24.7
109.02884	15.7
109.10152	29.9
117.07013	2.1
119.08576	33.6
119.09312	1.8
121.10168	20.7
123.11712	5.6
127.03912	24.8
128.26845	1.4
129.01854	1.7
131.08574	16.3
133.10144	19.7
135.11726	12.5
137.13324	1.9
143.08597	3.3
145.04985	8.0
145.10130	27.8
147.11679	26.9
147.61967	1.2
149.13275	10.0
154.12314	1.7
155.08597	1.8
157.10138	11.2
159.02884	9.3
159.11685	23.5
161.13245	17.4
163.14883	5.2
169.10156	7.0
171.11668	15.0
173.13255	23.3
175.14775	20.6
177.16460	2.8
183.11728	7.9
185.13269	14.3
187.14809	18.7
189.16431	6.2
195.11708	2.7
197.13341	5.4
198.27116	1.2
199.14809	10.5
201.16388	21.9
203.17859	1.9
209.13382	2.5
211.14839	8.4
213.16315	9.2
215.17950	11.4
223.14893	2.9
225.16490	5.5
227.18010	8.7
229.19569	8.6
231.05161	2.5
237.16257	3.2
239.17955	6.4
241.19543	7.1
243.21188	8.7
251.18047	5.6
253.19560	2.4
255.21310	1.5
265.19568	7.1
267.21130	17.5
269.22772	1.5
277.19650	1.7
279.21014	2.6
281.22723	7.3
291.21094	3.2
293.22684	6.6
295.24216	2.6
305.22699	1.7
316.17294	1.4
319.24319	3.0
347.27380	6.2
403.33600	97.4
421.34579	16.3
433.44464	1.4
633.38226	1.9
647.23041	1.7
651.38873	7.8
669.39984	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96281	1.9
53.03960	2.5
55.01880	4.6
55.05520	3.5
57.03444	2.5
58.73296	2.0
61.02939	2.9
67.05505	12.8
69.03439	29.0
69.07071	12.2
69.89014	2.2
73.02902	3.9
79.05481	10.4
81.03413	20.7
81.07059	26.1
83.08620	4.0
85.02914	51.1
87.00822	13.9
87.27184	2.3
91.05490	9.9
93.07033	18.2
95.08613	50.8
97.02921	23.9
97.10206	2.2
99.04446	15.9
105.01874	10.8
105.07040	22.8
107.08601	43.9
109.02892	27.8
109.10147	44.5
117.06997	4.3
119.08575	37.2
121.10152	20.9
123.11698	12.8
127.03923	39.1
129.01859	2.7
131.08537	14.5
133.10129	24.5
135.11685	16.2
137.40927	2.4
145.04970	13.7
145.10146	37.9
147.11676	23.3
149.13263	12.0
155.08542	2.9
157.10144	13.9
159.02893	9.7
159.11708	35.9
161.13231	29.6
163.14839	9.1
164.51820	2.8
168.66791	2.3
169.10104	5.0
171.11690	14.3
173.13249	30.9
175.14787	17.9
177.16391	3.3
183.11670	5.7
185.13260	13.1
187.14804	22.6
189.16441	4.8
197.13286	9.4
199.14822	20.5
201.16426	27.7
203.17966	9.2
209.13281	4.7
211.14827	10.1
213.16428	3.6
215.17990	14.0
217.19563	3.1
223.14796	4.6
225.16371	9.4
227.17909	8.2
229.19405	3.1
231.04921	3.2
237.16373	8.4
239.17899	3.4
241.19463	3.5
243.21115	3.5
251.17914	5.2
253.19437	9.2
265.19476	3.0
267.21201	3.0
279.21033	5.1
293.22574	4.4
347.27399	3.1
361.28986	3.5
363.30392	9.4
403.33652	58.2
421.34589	17.2
436.33069	2.9
454.34372	3.4
510.09818	2.6
651.38422	15.9
669.39990	100.0
671.19482	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	669.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54262	1.8
54.95800	1.7
55.05508	14.2
56.04705	2.1
57.03479	2.2
57.07085	5.1
58.95438	1.9
59.05001	3.2
59.16655	1.6
62.42060	1.8
67.05497	10.7
68.65063	1.9
69.03423	2.5
69.07076	86.4
71.04992	2.1
71.08606	2.2
75.30081	1.8
79.05496	2.6
81.07064	66.8
83.08610	20.5
85.02897	5.6
85.06539	9.9
86.09754	2.7
88.72469	2.2
91.05460	2.6
91.81120	2.4
92.21356	4.2
93.07035	17.9
95.08612	52.1
95.20969	2.4
97.06531	4.2
97.10145	12.3
99.08105	21.7
105.07050	4.2
107.08573	16.2
109.10160	46.8
111.08070	3.7
111.11725	42.9
119.08562	8.9
121.10157	26.8
123.11736	22.0
124.42117	2.1
127.03945	3.2
133.10136	4.6
135.11697	19.4
137.13248	38.5
139.11154	23.5
147.11700	3.6
149.13261	23.1
151.14807	3.7
159.11649	2.5
161.13258	5.3
163.14806	12.4
167.14287	5.0
173.13177	2.5
175.14874	3.1
177.16377	4.2
185.81952	2.6
191.18019	2.9
209.19073	4.7
211.20636	2.4
227.20016	3.0
279.26755	9.4
291.26859	11.4
297.27863	87.7
309.27896	100.0
327.28928	60.6
454.33694	18.7
669.35657	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	669.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	12.6
57.03452	1.9
57.07076	4.3
59.05001	2.1
61.02936	1.7
67.05512	21.2
68.13398	1.6
69.03423	7.3
69.07072	46.7
69.74123	2.0
70.06596	3.6
73.45162	1.7
74.88094	1.9
79.05484	11.3
81.03445	2.7
81.07064	100.0
83.08646	15.3
84.08162	2.9
85.02920	25.5
85.06546	36.7
86.09722	2.4
90.69378	2.0
93.07041	24.1
95.08609	95.6
97.02894	4.4
97.10184	15.2
99.04461	7.3
99.08091	39.2
103.03928	9.8
105.07031	9.3
107.08591	47.8
109.02882	3.5
109.10162	59.7
111.08113	7.0
111.11720	15.4
113.09675	8.2
119.08612	7.5
120.08064	2.6
121.10145	68.7
123.11708	32.7
125.09615	7.6
127.03905	19.0
127.11207	2.5
129.10162	2.6
133.10124	10.3
135.11694	29.2
137.13240	25.6
139.11200	14.0
145.05029	4.8
147.11676	5.0
149.13264	50.1
151.14827	3.4
159.11580	3.5
163.14793	24.0
165.16472	2.4
171.11771	2.2
177.16393	38.3
189.16330	2.3
191.18031	3.7
195.17439	17.6
213.18469	89.3
273.25803	7.6
279.26755	3.4
291.26807	51.9
309.27887	65.5
327.28934	18.5
375.23608	14.7
435.31448	2.0
454.74612	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	669.405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.0
57.07079	7.6
67.05511	21.4
67.39524	3.2
69.03432	4.7
69.07069	22.9
79.05514	3.4
81.07057	61.2
83.08624	11.8
83.91600	2.7
85.02917	17.0
85.06545	77.2
93.07037	21.0
95.08611	53.0
97.10170	4.9
99.08084	6.8
105.07011	3.3
107.08606	31.9
109.10165	52.1
111.11707	5.5
121.10149	21.8
123.11697	57.2
125.09632	17.2
127.03901	3.1
127.71410	2.8
128.99197	3.3
135.11676	19.8
137.13298	31.5
143.58778	3.1
147.11708	4.1
149.13281	32.5
151.14905	4.3
163.14766	16.2
167.14265	3.7
177.16437	5.2
273.25772	5.6
291.26788	100.0
309.27856	19.0
446.08200	3.5
453.32605	3.5
471.32639	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	669.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	12.4
57.07081	3.8
58.28613	2.0
61.02951	2.0
67.05518	23.5
68.50635	2.0
69.03432	12.5
69.07070	26.3
70.06600	4.1
71.04970	3.6
81.03413	2.7
81.07065	82.1
83.08649	18.6
83.63631	2.4
85.02914	55.7
85.06544	19.1
86.09740	2.9
91.05506	2.3
92.21262	6.2
93.07059	25.9
95.08607	86.3
97.02900	15.8
97.10165	17.1
99.04417	3.0
99.08110	12.3
105.07048	11.6
107.08599	37.3
109.02843	3.0
109.10168	63.0
109.33238	2.1
111.11687	3.7
119.08572	12.6
121.10143	44.9
121.86514	2.6
123.11732	39.7
127.03902	20.7
133.10152	14.8
135.11681	33.7
137.13234	11.9
145.04982	13.3
147.11682	10.6
149.13257	56.0
151.14862	4.6
161.13261	12.4
163.14796	40.1
175.14725	4.3
177.16351	15.5
189.16354	4.1
191.17943	4.9
192.55487	2.8
203.17905	9.8
209.18974	2.4
217.19547	9.7
220.93916	2.8
221.18983	3.1
273.25772	16.0
291.26837	100.0
309.28009	21.6
453.32187	16.2
669.38043	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	669.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.7
63.40631	0.6
64.99769	0.7
67.05500	1.5
72.44140	0.7
81.07052	1.2
85.14694	0.7
89.06013	1.5
95.08614	1.1
109.10191	1.3
112.56034	0.7
184.51108	0.9
224.85490	0.8
254.60359	0.9
335.18253	17.8
376.87238	0.8
391.20831	4.5
421.24658	0.8
517.03296	0.8
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	669.47
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	2.0
75.62360	1.5
81.07079	2.3
95.08628	4.0
101.04697	1.8
109.10154	1.8
123.84447	1.8
129.87236	2.1
161.99268	1.8
195.18279	1.9
333.20554	2.6
381.63528	2.2
669.47040	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.4696
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87265	0.8
57.47994	0.9
59.06126	2.4
67.05510	1.8
71.08611	1.4
73.34618	1.0
74.60499	0.9
79.05528	1.1
81.07070	4.3
95.08636	2.3
107.08640	1.1
113.84754	1.0
135.11690	1.4
154.93962	1.1
238.20943	1.0
317.20935	6.1
373.23541	2.0
470.03946	1.0
669.46973	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.47
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	1.2
79.05501	0.8
81.07072	1.3
83.08681	0.7
90.36620	0.6
91.05504	0.7
91.33052	0.7
93.07072	1.0
95.08630	1.3
98.15667	0.7
105.07130	0.6
107.08659	1.2
109.10164	0.8
124.75910	0.7
131.79698	0.7
135.11743	1.0
173.13277	0.9
201.81793	0.7
447.27115	0.9
523.27045	1.4
547.15948	0.9
582.28339	0.9
669.28839	4.2
669.46985	100.0
683.58441	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	669.5539
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80707	0.7
58.71473	0.6
59.72509	0.7
61.71069	0.7
71.08670	1.0
73.51691	0.7
80.66595	0.8
95.08582	1.5
120.31412	0.8
176.84180	0.8
200.52002	0.9
204.15955	1.1
247.93648	0.8
253.54195	0.9
330.18719	0.9
346.27164	100.0
519.22302	1.2
669.26190	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	669.5541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88108	0.3
59.17273	0.4
67.05511	0.5
81.07056	0.6
101.51562	0.4
128.16025	0.4
132.83853	0.4
346.27161	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.5542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16786	0.5
67.05505	0.6
67.80289	0.5
87.21443	0.5
120.42683	0.5
151.98834	0.6
196.47495	0.5
207.51567	0.5
346.27155	100.0
669.45557	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	670.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05634	0.9
70.06594	11.9
72.08173	7.7
81.07055	1.5
86.09711	3.6
95.08613	1.8
98.09727	0.8
105.21573	0.8
107.08605	1.2
109.10148	5.2
109.27168	0.7
112.08748	3.2
113.07134	3.2
115.08683	1.0
116.07085	1.8
119.08605	1.3
121.10118	1.0
130.06595	0.7
143.11824	1.3
153.49579	0.7
157.13371	1.2
158.09294	4.7
159.09216	1.8
161.13298	1.2
168.80159	0.8
169.10120	0.9
171.11662	0.9
175.11900	7.4
185.07095	11.5
185.16505	1.2
187.14796	1.0
188.54533	0.8
199.38844	0.8
210.10335	1.4
211.08627	13.0
211.10110	0.7
239.08141	74.8
255.08720	1.1
256.10870	0.9
266.09216	1.4
301.13083	3.4
328.13235	1.3
352.16843	1.1
353.12485	4.2
370.15036	8.0
380.17191	3.3
396.16913	1.4
398.18042	1.8
413.19409	4.7
423.17847	1.3
424.16406	1.4
437.34021	7.3
440.21497	0.8
441.18887	4.0
455.35153	3.2
670.36652	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.3664
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44843	0.8
60.05670	1.0
68.11065	0.9
70.06592	12.1
72.08158	7.3
79.60152	0.9
84.24613	0.9
86.09709	6.1
100.38330	1.0
109.10229	1.0
112.08735	2.0
113.07190	0.9
115.08709	1.3
116.07127	3.9
119.08739	1.1
133.87508	0.9
139.31824	1.1
157.13432	1.7
158.09250	2.2
159.09193	1.1
175.11920	8.2
185.07060	11.2
185.16586	1.5
211.08624	9.3
239.08139	82.0
255.08733	1.5
266.09418	1.4
284.10690	1.0
353.12445	6.2
356.26004	1.1
363.81873	1.2
370.15176	8.2
380.17349	2.2
398.18393	1.3
413.19366	1.6
423.18015	1.3
424.16214	2.1
437.34097	3.6
441.18680	1.3
670.36664	100.0
685.82202	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	670.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	0.7
53.02155	0.4
53.03950	0.7
55.01870	0.5
55.05513	6.5
57.03436	0.9
57.07069	2.1
58.52110	0.4
59.68837	0.4
61.02913	1.1
65.03955	0.6
67.05511	23.8
69.03433	4.5
69.06699	0.7
69.07071	19.4
70.06606	0.7
71.04987	1.9
71.05354	0.5
71.08616	0.5
73.02866	0.8
74.54008	0.4
77.11067	0.4
78.14351	0.4
79.05508	5.9
81.03432	1.1
81.07061	28.5
82.17883	0.4
83.04987	2.0
83.08623	6.2
85.02422	0.7
85.02905	11.9
85.06534	0.7
87.04433	0.7
91.05460	4.7
93.07048	15.3
93.47041	0.4
95.04955	1.8
95.08611	42.3
96.30740	0.5
97.02913	4.1
97.06523	1.9
97.10177	5.7
98.07275	0.4
99.08099	1.2
105.07043	16.0
107.08596	33.3
108.75649	0.5
109.02876	2.4
109.06521	2.3
109.10159	94.7
111.08067	1.9
111.11729	1.0
117.07008	2.6
119.08580	26.2
121.06497	2.9
121.10140	30.1
123.08065	4.3
123.11713	12.5
125.09634	2.8
127.03943	3.7
129.06998	2.0
131.08571	8.1
133.06516	0.8
133.10127	22.8
135.08061	6.1
135.11697	16.4
135.12685	0.9
137.09648	2.5
137.13260	5.0
139.11198	0.7
143.08583	6.5
145.05035	1.1
145.08975	0.7
145.10127	18.0
145.11208	0.8
147.08075	2.8
147.11691	20.4
149.09654	4.1
149.12094	0.9
149.13251	13.7
151.11182	1.1
151.14836	2.0
155.08562	3.0
157.06464	0.5
157.10118	12.4
159.08055	2.0
159.11693	19.1
161.09608	3.8
161.13254	16.6
163.11183	3.3
163.14803	9.4
165.12750	2.0
167.08447	0.6
169.10089	6.9
170.10803	0.7
171.08115	0.6
171.11688	16.0
173.09695	4.4
173.13261	17.5
175.11241	2.5
175.14804	10.5
177.12805	3.0
177.16310	3.6
179.14357	0.7
181.10173	3.4
182.10806	0.5
183.11674	10.1
185.07170	0.8
185.09689	2.2
185.13228	11.6
186.14018	0.6
187.11194	6.0
187.14821	12.0
189.12746	3.1
189.16364	6.8
191.14366	1.9
193.10188	2.0
193.16151	0.5
195.11734	8.0
196.12428	0.6
197.13246	7.6
199.11217	2.3
199.14828	9.0
201.12718	2.5
201.16393	6.8
203.14371	1.0
203.17953	1.2
205.15935	3.1
207.11673	1.8
208.12297	0.6
209.13249	6.6
211.11362	0.5
211.14812	9.6
212.15591	0.5
213.12833	2.0
213.16348	10.4
215.14366	2.7
215.17940	5.3
217.15903	4.2
217.19475	0.9
219.17538	0.6
221.13275	2.5
222.13974	0.6
223.14790	7.2
225.16365	8.3
227.14328	3.5
227.17888	7.9
229.15913	2.8
229.19566	1.0
231.17465	3.0
235.14845	3.5
235.16994	1.7
237.16389	9.8
238.17087	0.6
239.08206	5.0
239.17932	6.6
241.15883	4.2
241.19505	4.7
243.17433	4.6
245.19040	2.1
248.15657	0.6
249.16380	2.9
251.17989	5.3
253.15912	2.1
253.19521	6.5
253.80994	0.5
255.17429	7.6
255.21223	1.1
257.19089	2.7
259.16907	1.1
259.20416	0.6
261.18509	1.7
263.17908	2.4
264.18958	0.6
265.19556	5.1
267.17520	1.1
267.21149	4.4
269.16299	0.8
269.19052	5.7
269.22433	1.6
271.16971	0.9
271.20566	3.3
273.18475	1.0
275.17703	0.7
275.20361	0.6
277.19626	3.2
279.21002	4.4
281.19138	1.0
281.22665	2.3
283.20636	2.2
283.24155	0.9
285.18616	1.0
285.22342	1.0
287.16626	0.6
287.20175	3.0
289.19186	0.8
291.21042	3.8
292.22086	0.7
293.22678	3.0
295.20715	0.8
295.24283	1.1
297.22183	3.5
299.23688	0.6
305.22650	0.9
307.20609	0.7
309.22208	3.6
311.23761	2.0
317.22495	0.6
319.24243	2.7
321.22278	1.6
321.25739	0.7
323.23706	0.8
325.21637	1.0
327.23236	2.5
331.24258	0.8
333.25720	0.7
337.25214	3.1
339.23120	0.8
339.26831	0.6
341.25012	0.5
345.25885	0.8
349.25363	0.9
349.29169	0.6
351.26852	0.9
355.26486	2.2
359.27026	0.7
361.29065	3.1
363.26614	3.5
367.26218	0.7
375.30637	0.6
377.28430	0.9
379.29962	2.8
381.28027	2.3
391.33658	2.1
393.31570	0.9
395.29599	2.8
397.31311	0.8
401.32138	12.7
409.34961	1.0
419.33145	48.0
437.34253	100.0
455.35730	39.8
473.31830	1.0
473.37131	0.9
508.98071	0.6
581.38708	3.9
593.51587	0.5
599.39557	15.6
617.40546	17.3
635.41089	2.1
670.36517	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	670.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02641	1.1
55.05522	12.7
55.14620	1.1
57.07080	13.0
61.02934	2.2
66.92167	1.3
67.05509	20.2
69.03422	7.7
69.07075	42.2
71.08645	6.6
73.02914	1.4
79.05499	5.7
81.03435	3.4
81.07063	64.6
83.08627	30.3
85.02900	43.5
85.10184	2.4
93.07050	15.7
95.08607	100.0
97.02885	13.8
97.10164	22.8
98.51631	1.5
99.04469	3.1
103.03921	1.8
105.07029	2.7
107.08588	20.2
109.02882	7.7
109.10154	62.2
111.08025	1.4
111.11707	19.2
119.08579	1.9
121.10147	16.9
123.11692	36.7
125.13271	6.2
127.03921	14.1
130.58296	1.4
131.08635	1.7
133.10139	1.7
135.11696	19.8
137.13252	19.0
145.05002	11.5
147.11647	2.1
149.13245	27.6
151.14775	11.3
155.14285	2.7
161.13292	1.9
163.06055	5.7
163.14774	15.0
165.16360	6.9
169.15930	2.8
177.16402	3.2
179.17984	3.4
183.17482	2.3
191.17979	5.6
193.19516	3.0
195.17473	2.4
199.78662	1.6
205.19540	6.1
219.21068	9.7
253.83330	1.6
263.01245	1.6
275.27322	43.5
281.28329	2.7
293.28357	65.2
305.28241	2.3
311.29385	2.6
325.11301	6.8
383.29486	1.6
401.30518	5.2
419.31476	2.9
437.32217	2.1
455.33752	12.3
691.41479	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	670.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	3.2
67.05511	25.5
69.03415	2.8
69.07071	17.3
70.06578	2.4
79.05508	3.0
81.07064	22.1
83.08631	3.0
85.02907	5.7
86.09646	2.6
92.21544	2.5
93.07042	15.0
95.08599	33.4
95.34306	2.3
105.07025	14.8
107.08596	25.5
109.09439	3.2
109.10165	81.1
111.08083	2.2
115.75240	2.6
119.08556	25.0
121.10146	25.8
123.11711	5.6
131.08591	10.1
133.10120	19.9
135.08035	2.7
135.11684	15.8
137.13269	3.9
143.08479	3.5
145.05022	2.5
145.10114	23.4
147.11679	19.0
149.13280	11.7
157.10095	13.8
159.11609	16.6
161.13257	12.0
163.11172	3.3
163.14848	9.7
169.10129	5.2
171.11696	15.5
173.13240	18.3
175.14836	10.6
177.12715	3.9
177.14326	2.2
177.16420	2.4
183.11713	15.9
185.13277	11.7
187.14833	17.9
189.12787	2.8
189.16365	3.4
197.13275	9.5
199.14851	9.4
201.16402	5.4
203.17964	2.4
209.13202	4.1
211.08762	2.3
211.14804	3.3
213.16357	8.9
215.17963	5.0
217.19447	2.4
223.14758	2.8
225.16324	9.5
227.17809	3.5
230.60107	2.4
231.17276	3.8
235.14809	2.7
237.16406	5.8
239.08119	18.9
239.17853	9.8
243.17442	4.4
251.17836	4.5
253.19386	3.3
255.17508	9.6
262.46283	2.6
265.19409	3.6
269.18942	2.7
279.21127	3.5
319.24310	3.0
327.23254	3.0
401.32098	5.1
419.33136	49.1
437.34201	100.0
455.35281	43.3
473.36111	2.8
581.38281	4.2
599.38910	14.4
617.39978	16.4
670.36871	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	670.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	1.2
56.33157	0.5
57.03441	0.9
57.07081	0.8
57.87930	0.6
69.03428	3.8
69.13421	0.7
71.08624	0.9
74.12460	0.6
79.05482	3.5
81.03434	1.0
81.07044	0.9
83.05000	5.4
85.10183	1.2
93.07048	1.3
95.05013	1.2
95.08592	0.9
97.02877	0.7
103.05452	1.5
105.07035	100.0
111.04461	1.8
119.04939	2.9
121.06522	0.8
129.05473	2.8
144.97867	0.7
152.71455	0.7
223.60916	0.8
340.10596	0.7
404.13391	0.7
413.32422	3.0
415.21973	0.7
533.37952	1.3
653.44153	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	670.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.4
55.05515	0.4
69.03434	1.6
69.05949	0.4
69.07077	0.4
71.08634	0.4
79.05532	0.4
81.03422	0.4
81.07060	0.5
82.65339	0.3
83.04966	2.2
85.02903	0.7
91.05470	4.7
107.08566	1.7
110.36184	0.4
111.04442	1.0
117.07040	0.6
119.08578	100.0
129.05478	1.9
133.06487	2.3
135.08047	1.9
147.65363	0.4
154.33537	0.5
186.41528	0.4
220.59982	0.5
239.20770	0.4
306.91281	0.4
385.29459	0.6
519.36536	0.9
653.44165	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	671.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76171	0.5
59.03140	0.5
75.51151	0.5
80.09049	0.5
86.20291	0.5
129.57948	0.5
250.44647	0.5
453.23965	0.6
455.18951	3.4
462.20465	3.4
467.51581	0.5
469.20508	2.5
470.21356	2.1
470.29187	0.5
489.18881	2.8
492.19354	0.7
493.22672	0.7
496.22668	0.7
506.20142	1.2
507.18228	6.9
507.24875	0.6
508.19254	0.9
509.20676	0.7
520.19635	2.6
521.20734	0.9
523.18164	3.7
524.18475	2.5
533.20099	3.7
534.17395	2.9
535.23584	4.8
537.20721	0.8
539.22095	0.8
547.18121	1.1
549.20081	0.6
551.21362	5.2
552.22058	0.8
555.21252	0.9
561.19098	1.0
563.21619	0.7
565.22491	2.6
567.20959	0.8
579.20227	1.0
583.23651	3.5
593.22162	37.7
595.25739	0.9
611.23102	1.3
612.24426	3.3
621.21674	7.5
625.24500	0.7
639.23779	2.4
653.24469	16.3
671.25635	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59878	1.7
63.75924	1.7
71.73409	2.2
74.20506	1.9
78.74125	2.2
83.02002	2.0
89.67051	1.9
92.21004	2.7
104.82267	1.9
160.80669	2.1
227.11795	2.6
239.15443	2.3
259.00824	2.2
318.15988	2.4
330.31183	2.3
405.26770	2.2
475.21207	3.4
491.20169	4.7
492.21735	4.0
505.22229	10.1
519.23938	4.8
551.26251	3.4
561.24872	3.7
579.25549	2.8
621.23737	2.6
638.27411	100.0
653.25732	3.6
654.26434	14.4
671.27582	15.4
699.10199	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	671.271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42099	1.2
73.72070	1.2
82.67355	1.4
93.37385	1.4
167.96138	1.5
170.82251	1.4
183.67941	1.5
190.16229	1.8
231.27545	1.4
235.36029	1.5
243.11258	5.9
263.11597	1.6
289.13348	1.6
303.14893	1.8
306.13501	1.9
333.14667	3.1
337.15588	2.1
436.18961	3.2
437.19788	10.5
453.22644	2.3
464.22192	2.6
468.17691	2.1
475.21219	13.6
477.19031	3.1
478.19971	2.2
490.19879	2.4
491.20291	9.6
492.21286	2.0
493.22513	2.7
505.22195	2.5
507.20859	2.0
509.22009	2.7
519.20337	2.6
522.22577	27.5
523.23639	11.2
524.24042	12.8
525.24591	7.7
545.25330	2.1
551.22296	15.5
577.67255	1.5
611.24841	19.4
627.28192	20.1
627.45856	2.1
637.66406	1.6
639.24432	100.0
671.28961	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	671.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06745	0.4
64.23409	0.5
70.77287	0.4
73.54577	0.4
99.04444	0.7
106.83372	0.4
111.82333	0.4
115.03950	0.7
124.55540	0.6
136.13602	0.5
143.66635	0.4
384.17029	0.6
407.18774	0.7
423.22070	3.3
424.22626	2.4
425.20297	0.7
431.78064	0.6
433.23502	2.1
437.19531	0.7
449.16034	0.5
451.21677	1.1
461.19861	2.3
462.20612	2.0
477.18939	5.1
478.20178	2.7
479.20700	4.1
489.19012	13.2
491.20584	0.9
506.20230	0.7
507.21002	0.6
509.21808	2.6
519.20398	2.2
520.20831	3.5
521.21991	5.8
523.20032	0.7
529.18854	0.9
533.22430	0.5
536.20612	2.3
537.21143	7.5
547.19806	0.8
561.21509	0.8
578.21899	0.7
579.22345	1.1
581.20282	3.8
621.23615	0.6
625.27075	0.7
639.25031	2.6
644.89825	0.5
653.26105	1.9
671.27075	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	671.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97470	1.0
66.35999	1.1
79.97466	1.1
81.07100	1.3
121.36842	1.4
121.85602	1.2
146.14618	1.2
167.07062	1.6
167.34485	1.6
175.49942	1.3
177.88098	1.3
212.04761	1.3
309.43866	1.5
359.19653	1.4
423.21964	1.7
436.22745	2.2
448.19824	1.3
451.21420	7.9
461.20038	6.4
462.20627	28.9
463.16830	1.5
477.19461	3.0
478.13052	1.4
478.19650	8.9
479.20685	12.1
488.18460	2.4
489.19171	72.8
493.18445	1.6
506.19586	2.7
520.21112	50.1
521.21912	21.8
523.19885	13.8
536.20667	2.0
537.21332	6.2
538.22034	5.6
551.23199	1.5
584.26208	1.6
603.22443	2.7
621.23395	17.9
635.24927	18.3
639.24133	8.6
653.25623	11.8
671.27106	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65781	3.2
57.41434	3.0
58.28175	3.5
76.32681	3.5
77.09303	3.8
80.38913	3.4
82.59276	3.3
82.98992	3.5
107.42695	4.3
126.39807	3.8
149.24922	4.2
162.15872	3.4
220.11902	3.6
246.93465	4.4
253.13080	4.2
449.20776	4.6
491.20651	5.9
505.22571	6.1
551.24530	4.5
604.49060	5.0
638.27472	100.0
653.22223	5.1
654.26471	16.5
671.26709	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	671.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
106.83568	1.7
154.25615	2.2
189.71005	2.1
225.14035	2.3
237.13994	3.9
413.13364	2.0
471.70612	2.1
474.20944	2.2
489.23291	2.4
497.20978	2.2
501.19366	3.9
505.18509	2.8
506.19202	2.3
507.20071	3.5
515.20569	4.2
516.22247	3.0
517.22888	2.9
518.20630	2.0
525.24933	4.8
533.21576	4.1
558.47064	2.3
569.24286	9.2
584.26086	3.3
621.23413	57.7
639.24347	39.7
653.26135	13.4
664.25812	2.5
671.27179	100.0
671.39539	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	671.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87436	1.2
67.76455	1.5
67.76856	1.3
99.75713	1.5
122.66726	1.5
126.26727	1.4
162.44691	1.6
285.04034	1.8
333.59998	1.7
375.03348	1.6
453.22748	3.3
454.23517	1.9
482.23178	3.5
489.19019	1.7
491.21249	2.1
519.19397	1.7
569.23468	5.6
590.02301	1.7
653.27783	3.4
671.26996	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
63.95699	1.8
77.66033	1.6
92.21543	2.1
112.05123	1.6
112.12354	1.7
199.01944	1.8
226.11064	2.4
227.11899	9.0
241.09567	12.3
241.13451	9.8
243.15047	9.0
267.07803	3.9
269.12814	34.4
269.15558	1.9
271.10873	3.2
282.10168	7.8
291.07742	7.7
292.08533	3.0
293.12711	1.7
297.12402	1.9
304.12729	1.9
314.12613	1.8
319.07050	18.4
347.07239	1.8
351.09836	2.2
367.42026	1.8
379.09479	6.4
397.10229	2.2
443.66907	1.8
448.19421	2.3
461.19675	1.9
475.21085	3.9
477.19495	8.3
478.19617	2.2
479.20758	12.9
517.22601	3.4
533.21942	3.2
534.22827	7.8
537.21478	14.3
551.23260	3.3
569.24133	2.6
593.24164	8.4
597.23413	8.1
621.23456	20.9
639.24585	20.5
653.26337	9.9
671.27167	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89864	1.5
58.13153	1.4
59.21078	1.6
75.04494	12.2
90.47461	1.9
141.61090	1.8
157.01875	2.0
171.75529	1.9
225.00546	1.8
247.56602	2.1
327.16861	1.8
356.93225	2.0
535.23944	2.1
537.25024	4.4
547.23431	17.3
593.27631	27.3
621.26910	8.0
653.29614	17.9
671.30780	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	671.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06430	2.2
62.17347	2.2
63.28397	1.7
66.88118	1.8
66.88467	1.9
85.91435	2.1
99.82312	1.9
127.67696	2.2
136.69714	2.1
172.62151	2.1
177.30011	1.9
196.44119	2.2
455.24606	4.4
505.22916	2.5
507.23886	2.1
519.24188	7.9
547.23474	40.0
561.25238	3.7
562.25812	3.2
575.23096	12.9
593.27771	32.4
621.27057	4.8
653.29962	17.1
671.30804	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.66125	0.4
67.29488	0.4
87.31880	0.4
90.63383	0.4
119.77264	0.4
162.24669	0.5
169.04260	0.4
342.41278	0.5
423.21802	0.6
433.20535	0.5
437.23477	0.5
452.22360	0.7
455.24631	2.4
459.21930	0.8
461.19031	3.3
469.26346	1.0
473.19559	0.5
475.21167	1.6
476.22098	0.8
477.23087	2.4
478.19901	1.0
479.20901	3.1
487.21460	1.6
488.22385	0.6
489.22934	2.6
499.21451	0.6
501.19366	0.7
503.21066	2.9
505.22708	2.8
506.23438	0.7
507.24429	3.1
508.24689	0.7
509.25345	2.4
510.18646	0.5
515.20856	0.8
516.22083	0.7
519.24170	4.5
520.25189	0.7
521.21265	0.7
521.25909	0.5
523.23224	0.7
524.24536	0.5
531.24536	0.6
533.26489	3.3
534.22485	3.4
535.25195	0.5
537.25153	2.9
538.25940	0.8
547.23425	40.2
548.24335	0.5
549.25220	1.0
551.26556	2.5
553.28876	0.5
561.25262	3.6
562.25800	2.4
565.26892	1.0
566.25586	1.8
575.22839	12.5
579.26215	0.8
581.27832	0.7
583.29596	3.5
589.24005	0.8
593.27692	28.4
607.25525	2.9
612.21356	0.9
612.30255	0.7
621.27185	9.1
639.24640	4.2
648.23700	0.9
653.29840	16.7
671.30804	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	3.0
55.05519	3.9
57.03440	2.2
57.07064	2.3
63.09573	1.6
67.05512	8.3
69.03435	18.1
69.07072	14.7
71.05004	3.1
73.02925	2.2
73.97227	2.3
77.03938	1.9
79.05501	2.8
81.03415	17.9
81.07053	20.8
83.08633	3.2
85.02904	29.7
87.00838	15.7
91.05476	2.5
93.07072	11.4
95.08614	31.8
97.02909	13.0
98.97709	1.9
99.04462	10.4
105.01900	10.6
105.07062	4.5
107.08597	27.1
109.02872	24.4
109.10159	31.7
114.94637	1.9
115.04613	2.0
119.08560	14.7
121.10131	22.2
123.11724	11.5
125.47423	1.9
127.03925	36.5
129.01852	2.4
131.08549	8.1
133.10146	17.2
134.23338	2.4
135.11740	12.8
137.13249	4.2
145.04985	8.3
145.10120	16.3
147.11690	14.5
149.13329	12.4
153.09715	2.0
157.10176	7.9
159.02927	12.2
159.11697	15.7
161.13309	10.9
163.14886	10.0
169.10156	2.4
171.11668	4.0
173.13290	18.6
175.14905	15.7
177.16400	3.4
183.11772	4.2
185.13351	12.3
186.60767	2.1
187.14847	20.0
189.16417	3.7
190.38176	2.2
193.49728	2.0
199.14859	10.2
201.16388	13.9
203.18077	2.7
209.13321	2.5
211.14903	4.2
213.16443	7.4
215.18056	4.5
217.19440	2.1
225.16406	2.9
225.60843	2.0
227.18030	10.9
229.19617	4.6
231.05107	3.4
231.21150	3.3
239.17996	4.0
241.19591	9.8
243.21170	3.4
253.19673	4.8
255.21146	4.3
267.21014	14.9
269.22864	10.6
271.24185	2.3
281.22629	3.1
283.24335	9.4
295.24158	3.6
309.25809	3.9
335.27319	2.9
349.29089	2.6
405.35175	88.9
423.36356	11.1
430.89096	2.4
671.41595	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	2.9
57.03427	1.4
57.07080	2.4
63.34971	1.2
67.05505	5.3
67.62827	1.2
68.78507	1.2
69.03434	22.6
69.07063	5.4
71.04994	25.5
73.06542	1.7
76.29393	1.4
81.07054	8.7
83.08616	6.2
85.02907	51.8
85.06555	11.5
91.05488	2.1
93.07037	2.9
95.08603	8.0
97.02891	100.0
97.10166	13.0
103.11235	1.3
105.07033	6.9
107.08591	29.9
109.10136	22.5
115.03922	59.9
117.01968	1.4
119.08572	8.5
121.10157	6.5
123.11766	11.9
125.09634	37.6
127.03925	6.8
127.11204	5.1
131.08566	2.2
133.10124	6.7
135.11655	2.2
141.12715	9.4
143.08507	2.0
143.10675	59.3
145.10144	3.0
147.11687	5.3
157.04962	72.3
157.10117	5.0
159.11696	7.3
161.13268	3.1
171.11674	5.8
173.13257	5.8
175.14870	2.8
183.11710	2.6
185.13194	6.0
187.14790	2.1
195.11713	1.8
199.14885	2.8
201.16354	2.3
209.13272	2.0
211.14804	1.7
217.07048	31.8
223.14931	2.5
225.16507	2.0
237.16322	1.7
251.17857	4.4
253.19322	2.1
262.83463	1.7
265.19498	1.8
279.21136	2.5
297.22141	1.6
305.22751	1.5
419.33081	14.4
437.34164	21.9
455.35214	2.6
653.40662	14.0
671.22632	1.6
671.41681	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	671.415
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12848	1.4
54.98513	1.2
55.05537	4.4
57.07095	2.0
64.87031	1.3
67.05505	5.9
69.03436	24.1
69.07056	2.8
71.04989	12.2
79.05515	1.5
81.07074	8.5
83.05005	1.8
83.08611	2.9
85.02905	9.4
85.06548	5.7
93.07051	3.1
94.49783	1.3
95.08622	10.2
97.02894	100.0
97.10163	7.0
105.07012	2.3
107.08604	18.2
109.10170	18.6
115.03934	11.9
119.08624	2.9
121.10131	10.1
123.11715	16.7
125.09651	20.6
127.11170	2.6
131.08569	2.2
133.10106	3.2
135.11720	2.2
137.09532	1.7
141.12762	15.3
143.08563	2.2
143.10674	30.5
145.10118	2.5
147.11678	6.8
149.13229	1.8
157.04971	16.7
157.10143	2.7
159.11690	5.7
161.13255	3.2
171.11694	5.9
173.13208	6.1
183.11742	2.8
185.13260	3.5
195.11639	3.0
195.98822	1.5
199.14804	2.3
217.07063	9.1
221.48952	1.8
225.16377	3.1
237.16319	3.2
241.42302	1.6
251.18005	2.6
279.21112	3.2
297.22174	1.6
419.33331	10.2
437.34000	18.6
455.35278	6.6
618.27991	1.5
622.95630	1.9
653.40204	7.4
671.41431	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	671.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
66.70253	2.8
81.07089	2.7
81.08398	2.5
95.08604	2.7
103.24583	3.1
117.89593	2.9
159.24918	2.7
196.01935	2.8
207.89270	3.2
227.20094	13.4
268.18021	2.7
335.21701	4.6
468.41840	3.0
671.38165	4.0
671.48663	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10642	0.5
53.03949	0.6
55.05510	3.6
57.03449	6.6
57.07083	38.9
61.02926	7.7
66.76680	0.7
67.05514	10.9
69.03436	7.7
69.07069	9.9
71.04994	0.8
71.08633	38.4
73.02914	4.2
73.35584	0.7
75.04479	4.4
79.05516	0.9
80.87466	0.7
81.03419	7.4
81.07062	20.2
83.08624	17.8
85.02905	26.5
85.10186	27.3
91.03951	15.5
93.05509	12.5
95.08608	31.1
97.02890	15.2
97.10159	10.5
99.04447	4.6
99.11720	0.9
102.66618	0.7
109.02870	4.9
109.10159	20.8
111.11693	1.6
121.13099	0.7
123.11717	10.0
125.13246	1.5
127.03938	15.8
127.96498	0.7
129.05499	0.7
131.26563	0.8
137.13242	3.6
145.04951	11.4
151.14749	0.8
163.06029	7.5
221.22469	0.8
239.23671	11.0
255.10722	6.3
257.24585	1.6
266.79529	0.9
313.55954	0.8
320.09305	0.9
341.27118	1.0
383.27921	10.2
401.28955	100.0
459.89230	0.8
475.32605	5.3
537.95935	1.1
545.33307	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	672.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.8
57.03437	2.7
57.07082	56.6
58.50316	1.9
61.02932	14.1
67.05507	11.9
68.00151	1.9
69.07058	10.9
71.08276	3.1
71.08634	47.4
71.44681	1.9
73.02921	4.8
73.50018	2.0
81.07052	25.0
83.08609	22.5
85.02910	20.1
85.10178	31.4
91.03970	20.2
95.08615	44.8
97.02900	5.2
97.10182	4.4
109.10152	20.1
120.87738	2.4
123.11705	10.6
124.32264	2.5
127.03920	4.8
139.18921	2.2
145.04977	3.6
145.32138	2.4
149.02365	2.7
150.19745	2.1
162.75987	2.1
163.05994	11.4
166.00389	2.3
239.23721	12.2
253.04579	2.5
257.24673	8.9
313.27341	92.7
331.28415	100.0
348.34741	3.0
621.51379	2.5
695.96643	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	672.416
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63063	1.3
55.05511	3.2
57.03443	2.8
57.06821	2.7
57.07081	42.2
59.12588	1.8
61.02922	14.1
63.55805	1.3
66.10693	1.3
67.05511	8.3
69.07066	7.3
71.08234	2.1
71.08632	35.6
73.02906	7.3
81.07068	21.2
83.08617	19.2
85.02917	20.8
85.10182	29.0
88.83575	1.7
91.03978	16.5
94.20745	1.7
95.08604	35.9
97.02888	7.4
97.10162	11.7
104.25442	1.6
109.10172	18.9
123.11698	10.6
126.03621	1.5
127.03912	2.3
137.13228	2.2
145.04935	7.6
163.06015	10.5
177.31509	1.6
239.23720	13.9
257.24783	6.4
261.43256	1.8
313.27338	68.8
331.28400	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.5283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74555	1.7
53.04508	2.0
55.05540	2.3
56.89740	1.8
57.03466	1.9
63.97429	2.2
67.05505	5.1
67.32663	2.1
71.59363	1.9
79.56571	2.5
81.07065	4.0
90.20844	2.0
92.20909	2.2
93.07043	2.9
95.08589	2.3
97.10159	2.6
101.71490	2.1
109.10119	2.3
110.39815	2.1
206.62833	2.2
250.69141	2.3
309.24603	2.2
391.25601	56.4
416.24036	2.3
457.37546	35.7
460.32904	2.7
485.40604	3.2
499.42059	4.5
501.29114	3.0
548.41553	2.5
672.53180	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.5518
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05045	3.2
56.06014	0.4
57.07074	1.1
58.06597	2.8
68.29059	0.5
71.08609	0.9
74.06087	4.1
83.04996	0.8
83.08600	0.5
86.06087	0.7
86.68861	0.4
88.07619	2.1
96.95005	0.4
97.76786	0.4
118.08601	0.9
122.08147	6.7
124.62556	0.4
154.12256	1.1
165.07281	0.4
171.14891	0.6
181.02548	0.6
196.16893	3.7
210.12170	0.5
242.24756	27.2
257.05576	0.6
272.25870	1.7
272.53333	0.5
290.26886	100.0
298.20496	0.5
576.22595	0.6
655.31378	2.2
672.31317	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	673.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
61.59129	0.6
61.59481	0.7
74.57420	0.7
79.39578	0.7
199.12166	0.8
234.17244	0.9
256.69269	0.8
474.20435	1.2
475.20850	1.3
489.18896	1.1
492.16141	4.5
493.16928	4.1
505.16849	3.9
506.18073	1.6
507.18475	4.5
509.15915	1.6
519.17743	1.2
519.24451	1.9
520.19232	6.2
521.20605	3.1
523.18585	1.4
525.19543	1.4
531.18768	1.3
533.20074	11.8
535.17780	1.8
537.19244	1.1
538.20374	1.9
549.20679	3.5
551.21301	11.8
565.18530	6.5
569.22412	4.8
577.18958	1.4
579.20612	3.7
582.19464	2.8
588.86823	0.9
595.20160	1.7
597.21753	4.0
625.21063	17.5
637.21735	1.0
638.22205	3.3
655.22162	19.5
673.23334	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	673.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05485	0.6
54.68204	0.5
95.08500	0.5
124.17728	0.5
124.76025	0.6
132.33243	0.5
151.31796	0.5
161.80920	0.6
301.07123	0.7
438.19379	0.8
492.16144	3.2
493.16702	1.3
495.18243	0.6
505.16812	2.3
506.17554	0.9
507.18652	2.2
509.16183	2.5
517.22400	1.1
519.18567	3.4
520.19171	6.1
521.19983	3.2
523.17877	1.1
533.19830	8.2
535.17670	1.0
536.18286	0.8
537.19067	1.0
538.20233	1.3
539.18390	0.6
549.20453	2.3
550.21576	0.6
551.21399	11.9
565.18866	4.6
569.22034	3.5
579.20245	2.1
582.19287	1.9
596.20929	1.1
597.21393	2.3
625.21130	6.9
632.35211	3.7
655.22260	3.3
673.22968	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	673.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60493	0.4
53.86547	0.5
77.71350	0.5
77.86894	0.4
97.44666	0.5
161.93385	0.6
222.60988	0.6
473.19241	0.7
474.20493	0.9
475.20169	1.0
481.17056	0.9
492.15729	4.0
493.16586	1.0
505.16849	4.0
506.17816	2.6
507.18512	1.2
509.15494	1.6
509.20367	0.9
517.22449	1.1
519.18561	2.5
520.19287	7.8
521.19849	2.9
523.18243	2.8
524.18787	0.9
529.22693	0.7
533.20148	9.9
535.17761	2.3
536.19220	0.7
537.19318	1.3
538.20605	1.1
539.17010	1.1
542.18951	0.7
549.19641	0.8
551.21033	10.6
553.18671	0.6
565.18494	5.5
566.19525	0.8
569.21796	3.8
577.19324	1.3
579.20691	4.8
582.19611	2.1
594.18860	0.6
595.20380	1.2
597.21820	2.3
625.21204	10.0
637.20508	1.0
655.22253	6.8
673.23224	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	673.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48462	0.5
81.97977	0.5
94.31927	0.6
94.95928	0.6
109.10226	0.8
117.80828	0.7
131.47733	0.6
428.77597	0.7
474.20465	0.8
492.16046	4.7
493.16968	3.1
494.21268	1.1
505.16830	4.0
506.17441	1.3
507.18182	3.7
508.19330	0.7
509.16321	1.2
519.18506	3.3
520.19238	7.5
521.20172	3.6
523.17609	2.6
524.18866	1.1
531.19714	0.8
533.20117	11.6
535.17804	2.6
537.19000	0.9
538.20270	1.4
547.16602	0.9
549.19531	3.0
551.21350	13.6
553.19141	0.9
565.18665	6.3
567.20081	0.9
569.21906	4.9
577.18713	0.9
579.20428	3.8
582.19360	2.8
595.20374	1.2
596.21014	0.8
597.21790	2.8
623.19543	1.1
625.21063	14.0
638.22498	0.8
655.22119	12.9
673.23212	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	673.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78131	0.6
64.68571	0.7
68.56393	0.6
69.03459	0.9
81.03436	3.2
85.02905	5.9
86.03265	0.8
87.00854	1.7
91.82987	0.7
97.02914	3.1
98.03229	0.9
99.04478	1.6
104.39716	0.7
105.01946	1.1
109.02879	6.1
110.03225	1.6
127.03908	7.5
128.04259	1.6
133.44589	0.8
145.05011	1.1
232.05435	0.9
300.57822	0.7
301.07062	1.1
353.36472	0.8
376.09653	1.3
394.10632	1.5
474.20840	0.8
475.21268	1.0
489.18854	0.8
507.18750	4.3
508.58459	0.8
509.19742	1.6
519.24091	3.2
522.21033	0.9
523.17957	5.0
524.18896	3.1
525.20123	0.8
533.20831	1.5
547.23425	1.1
549.19983	1.4
551.21143	15.2
553.19641	1.6
569.22180	4.6
579.20404	1.0
595.20050	1.7
596.20813	1.1
597.21649	4.6
613.21832	1.3
623.20404	0.8
625.21350	1.6
637.21515	0.9
655.22388	4.3
673.23279	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
61.76173	0.2
63.82088	0.2
67.05519	0.3
69.03405	0.5
69.07063	0.3
79.05481	0.3
81.03415	1.5
81.07059	2.1
82.96509	0.2
83.08630	0.3
85.02936	0.3
91.05493	0.5
92.33331	0.2
95.08605	0.3
97.02928	0.3
98.09251	0.2
105.07037	1.0
107.08561	0.4
109.02893	0.3
114.11961	0.3
119.08573	1.3
121.10164	0.4
123.11681	1.0
127.03963	0.5
145.94817	0.2
147.11682	2.8
153.01839	0.6
165.12775	1.6
178.03343	0.3
189.77586	0.3
205.59224	0.3
211.13509	0.3
229.14290	1.0
241.04961	1.3
269.04440	4.0
279.54541	0.3
286.04691	8.0
301.07065	100.0
355.17474	1.0
437.75620	0.3
655.23462	0.6
673.24445	4.0
673.37372	1.0
684.70483	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	673.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.3
57.12836	0.1
61.73798	0.2
67.05520	1.4
69.03417	0.4
69.07066	0.9
70.47223	0.1
71.04981	0.4
79.05490	0.5
81.03431	2.9
81.07066	4.7
83.04974	0.2
83.08623	0.4
85.02911	0.4
85.06534	0.3
91.05470	1.5
93.07015	0.3
95.08589	1.4
97.02882	0.9
97.06533	0.4
99.04480	0.2
105.07016	2.4
107.08584	1.3
109.02879	1.9
109.06516	0.4
119.08566	2.4
120.94115	0.2
121.10162	2.1
123.08074	0.3
123.11701	2.6
127.03903	1.7
137.13327	0.2
147.10585	0.4
147.11688	7.1
165.12750	2.5
183.13823	0.4
193.12193	0.4
229.14333	2.5
249.81648	0.2
286.04742	0.2
289.69510	0.2
301.07059	100.0
319.15250	0.2
337.16464	0.8
343.08194	0.2
355.17535	2.1
586.86218	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	673.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25778	0.2
53.03955	0.3
55.05518	0.4
56.68518	0.2
57.03433	0.2
66.79217	0.2
67.05517	1.7
67.86559	0.2
69.03436	1.6
69.07065	1.4
69.58044	0.2
71.04987	0.2
79.05490	1.1
81.03423	4.2
81.07059	6.5
83.04967	0.3
83.08619	0.3
85.02898	0.6
85.06551	0.3
91.05465	2.5
93.07027	1.5
95.08593	1.8
97.02876	1.5
97.06524	0.9
99.04443	0.4
105.07028	3.3
106.20173	0.2
107.08570	1.4
109.02888	1.9
109.06541	0.3
112.77333	0.2
119.08578	3.2
121.10136	2.5
123.08040	0.5
123.11702	4.3
127.03918	2.0
127.07570	0.3
147.10576	0.5
147.11685	8.7
165.12799	3.7
175.11176	0.3
179.03520	0.4
183.13710	0.4
193.12204	0.4
201.54971	0.2
211.13251	0.5
227.60281	0.3
229.14276	2.5
286.04736	0.4
296.21631	0.3
301.07056	100.0
319.15741	0.3
332.76227	0.2
337.16473	1.7
338.34174	0.2
343.08591	0.3
355.17569	3.2
463.11795	0.2
673.25500	0.4
673.38562	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	673.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
64.97166	1.1
72.90679	1.3
75.02032	1.2
89.49447	1.3
114.99429	1.1
148.18443	1.1
153.57520	1.2
173.97121	1.3
237.10081	1.4
237.61450	1.4
243.85103	1.4
318.15997	1.4
385.17871	1.5
422.21301	1.7
423.22333	1.7
435.21774	3.1
451.21307	2.1
461.19449	1.7
463.21039	6.3
465.19345	2.6
466.19855	1.9
477.23099	2.2
478.19992	8.0
479.20883	16.9
489.23077	28.5
491.20789	12.0
493.22223	2.1
496.21262	1.5
499.16989	2.2
505.22128	1.8
507.20258	12.0
513.19727	1.4
521.21954	5.4
522.22687	1.8
532.21381	1.9
535.19751	6.7
539.23016	2.4
549.21204	6.3
550.22162	24.4
586.22546	1.6
595.21545	3.0
611.24902	2.5
614.22394	1.8
623.21857	9.4
637.22882	88.9
655.23999	100.0
673.23566	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	673.286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98675	0.8
59.90334	1.0
75.04485	1.1
88.13236	1.0
90.17483	1.1
90.49105	1.0
95.08628	1.2
106.66496	1.0
107.08555	1.0
144.93666	1.1
270.91251	1.0
301.07193	6.5
325.44055	1.1
461.19510	1.4
475.21100	4.7
477.18927	4.2
493.22195	2.5
503.20847	4.3
506.17978	1.4
509.25525	1.8
515.19891	1.2
518.23236	1.7
519.19897	5.3
520.19519	1.4
521.21667	9.5
523.23450	5.9
531.20251	1.8
535.23120	5.0
540.27283	1.7
549.20789	15.6
551.21747	6.6
563.22644	4.7
568.22681	2.0
577.21228	5.2
581.23395	2.1
591.22192	4.3
595.25659	15.4
609.23212	5.3
614.27057	1.6
623.24872	4.7
625.20074	1.4
632.35242	5.6
637.26208	1.3
655.28174	10.0
673.29614	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50119	2.3
53.00465	2.6
61.50885	2.6
65.92326	2.5
106.83931	3.7
109.85540	2.9
169.25766	2.8
228.29680	2.8
239.11934	4.0
253.13348	36.4
280.81995	3.7
305.79849	3.0
348.95898	2.8
389.17453	3.9
389.62720	3.3
400.16373	3.7
404.19571	16.8
467.20935	3.6
492.20767	14.5
503.20285	4.2
507.20276	5.7
521.21362	4.1
539.22772	7.6
549.20959	15.7
553.23328	3.6
590.25061	3.6
613.26373	23.3
641.26178	64.5
673.28705	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	673.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50111	0.8
83.47475	0.9
95.08589	0.9
98.81217	1.0
99.43486	1.0
109.10094	1.1
117.78530	1.1
190.47540	1.1
229.18852	1.2
301.07043	1.5
394.73993	1.2
423.21918	1.3
427.21219	1.2
439.21106	1.2
441.23160	5.4
455.24426	9.5
456.26166	1.5
481.25830	1.4
483.27536	1.4
485.21893	8.7
486.22729	1.5
492.26019	1.2
499.23178	8.4
506.23221	1.9
509.25671	1.9
511.26718	1.4
525.25250	7.2
527.26227	3.8
531.20142	1.4
537.25140	9.7
541.28094	7.2
555.26294	7.3
569.27808	10.6
571.25665	2.4
585.27283	4.2
586.27960	6.2
595.25519	4.3
613.25140	1.2
641.25458	1.5
655.27185	3.9
673.28717	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.4306
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43095	0.9
53.00325	0.8
53.03963	1.2
53.71661	0.7
57.03448	1.5
57.07092	0.9
67.05501	4.0
68.48273	0.8
69.03425	16.2
69.07072	4.8
71.05011	8.9
73.02914	3.4
76.90520	0.9
79.05486	1.1
81.07057	7.3
83.08617	2.1
83.94467	0.9
85.02908	69.6
85.06550	1.1
91.05510	1.1
93.07043	4.1
95.08603	15.6
97.02895	100.0
97.10180	1.4
105.07041	5.2
107.08602	8.9
109.10159	18.0
115.03928	58.6
119.08562	8.6
120.25130	0.9
121.10161	8.4
123.11715	10.4
125.09660	1.1
127.03912	10.5
127.11192	9.3
129.07014	1.5
131.08575	3.9
133.10155	5.2
135.11684	6.4
137.13234	1.8
139.03983	1.3
141.12712	5.3
143.08539	4.5
145.10164	6.7
147.11723	5.3
149.13275	4.2
153.08351	1.0
157.04959	75.3
157.10077	2.1
159.11690	6.4
161.13246	6.8
163.14790	1.3
169.10068	2.0
171.11659	8.3
173.13249	5.4
175.14841	1.9
177.12772	1.0
180.71118	1.1
183.11688	3.7
185.13240	11.5
187.14798	7.5
189.16324	1.6
197.13284	2.0
199.14824	4.2
201.16357	2.0
209.13184	1.0
211.14798	2.3
213.16415	4.4
217.07088	46.0
217.19505	4.6
225.16380	3.9
227.17863	8.0
239.17978	2.3
240.18695	2.0
245.18898	3.8
253.19528	5.3
293.22119	1.3
300.32800	1.2
343.70337	1.2
403.33731	2.5
421.34665	21.0
439.35757	23.7
457.36520	2.3
637.41205	2.9
655.42352	6.7
673.43378	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	673.4306
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43095	0.9
53.00325	0.8
53.03963	1.2
53.71661	0.7
57.03448	1.5
57.07092	0.9
67.05501	4.0
68.48273	0.8
69.03425	16.2
69.07072	4.8
71.05011	8.9
73.02914	3.4
76.90520	0.9
79.05486	1.1
81.07057	7.3
83.08617	2.1
83.94467	0.9
85.02908	69.6
85.06550	1.1
91.05510	1.1
93.07043	4.1
95.08603	15.6
97.02895	100.0
97.10180	1.4
105.07041	5.2
107.08602	8.9
109.10159	18.0
115.03928	58.6
119.08562	8.6
120.25130	0.9
121.10161	8.4
123.11715	10.4
125.09660	1.1
127.03912	10.5
127.11192	9.3
129.07014	1.5
131.08575	3.9
133.10155	5.2
135.11684	6.4
137.13234	1.8
139.03983	1.3
141.12712	5.3
143.08539	4.5
145.10164	6.7
147.11723	5.3
149.13275	4.2
153.08351	1.0
157.04959	75.3
157.10077	2.1
159.11690	6.4
161.13246	6.8
163.14790	1.3
169.10068	2.0
171.11659	8.3
173.13249	5.4
175.14841	1.9
177.12772	1.0
180.71118	1.1
183.11688	3.7
185.13240	11.5
187.14798	7.5
189.16324	1.6
197.13284	2.0
199.14824	4.2
201.16357	2.0
209.13184	1.0
211.14798	2.3
213.16415	4.4
217.07088	46.0
217.19505	4.6
225.16380	3.9
227.17863	8.0
239.17978	2.3
240.18695	2.0
245.18898	3.8
253.19528	5.3
293.22119	1.3
300.32800	1.2
343.70337	1.2
403.33731	2.5
421.34665	21.0
439.35757	23.7
457.36520	2.3
637.41205	2.9
655.42352	6.7
673.43378	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	674.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
68.14211	0.9
80.68462	0.8
92.00027	1.0
96.92097	1.1
114.67942	0.9
118.40765	1.0
136.29228	1.0
196.01138	0.9
217.12100	1.0
287.21259	1.1
340.92828	1.0
368.61432	1.1
440.18552	1.8
441.18732	1.2
454.19995	1.3
455.21039	3.9
462.41650	1.1
469.18854	7.8
485.18265	1.3
496.16763	1.2
499.19193	1.1
500.20413	9.5
509.18686	1.2
512.16858	2.3
513.16968	11.3
523.19818	30.4
524.20966	7.0
525.21167	2.1
527.18884	9.7
528.23999	2.0
539.19458	5.7
555.22516	48.5
571.21924	5.7
572.22894	10.3
587.24994	15.8
605.26129	1.5
614.23907	9.2
615.24847	9.1
674.25830	100.0
704.64777	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	674.258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44761	0.9
79.78292	1.0
83.17667	0.9
83.18224	1.2
149.43399	1.0
149.66324	1.2
181.10506	1.3
442.19922	2.3
469.18723	49.0
509.18201	1.4
513.17725	100.0
550.22375	1.4
572.22656	2.1
600.22144	11.9
615.24542	90.1
621.04425	1.5
674.25989	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	674.258
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95941	0.4
59.04886	0.4
88.80520	0.6
91.36499	0.4
92.21390	2.2
116.20814	0.5
159.48459	0.5
220.15012	0.5
386.59006	0.5
441.19305	2.0
442.19937	1.9
457.61093	0.5
469.18747	49.6
472.17206	1.9
485.17743	0.8
486.18802	0.9
495.20654	0.6
501.21259	0.6
509.18115	1.1
513.17712	87.0
524.20142	0.8
528.23376	0.7
541.20306	0.7
554.20013	0.6
555.22467	0.7
556.23102	0.7
572.22760	4.9
600.22107	9.6
615.24512	100.0
674.25903	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	674.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59899	0.4
55.89628	0.5
68.52837	0.5
75.64839	0.5
87.54755	0.5
87.71374	0.5
92.20930	0.6
118.08778	0.4
147.22760	0.5
287.28568	0.6
441.19269	1.0
456.14392	4.0
457.18915	2.1
468.17679	0.8
483.16898	0.9
485.18243	16.7
497.18335	0.8
498.18973	1.3
503.19046	1.0
512.20465	0.8
513.17755	100.0
524.16827	1.2
528.20172	0.7
531.18933	0.9
555.18646	4.0
572.22626	19.9
583.21832	0.7
600.22577	0.8
601.22583	0.7
615.24451	16.9
674.25854	89.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.462
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37970	0.9
71.04988	8.6
78.22009	0.9
79.48055	1.1
83.04982	23.6
83.63839	0.9
88.57826	1.0
93.18661	1.0
97.66057	1.0
101.06017	8.8
105.25089	1.3
107.04951	35.9
114.00279	1.1
123.26962	1.2
124.46757	1.0
149.05972	24.7
159.08080	5.6
161.08076	13.1
163.11166	69.5
182.79092	1.1
205.12213	4.4
219.17426	31.2
222.75702	1.2
249.60744	1.0
267.12250	100.0
291.04852	1.2
292.48572	1.1
309.13287	1.1
316.40799	1.1
323.18512	71.3
365.19434	1.2
379.24939	1.7
415.17511	17.3
433.18567	11.5
471.23630	18.7
489.24799	29.9
524.80756	1.3
527.30017	23.5
545.23181	2.2
545.31085	50.9
583.36121	1.9
601.36816	4.8
628.56635	1.1
639.42078	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	674.5199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90194	3.9
55.05511	11.0
57.03439	35.0
57.07089	67.7
60.02576	4.9
60.39986	5.1
64.38761	4.3
67.05516	78.3
67.26200	4.0
69.07074	46.2
70.87721	4.5
71.03886	4.3
71.04969	5.8
71.08624	46.5
71.64919	4.3
79.05497	37.7
81.03436	20.2
81.07060	65.7
83.05006	7.9
83.08643	44.3
85.06522	4.6
85.10184	31.1
87.13862	4.3
91.05486	12.2
93.07029	45.1
95.04982	12.2
95.08607	63.7
97.06532	34.2
97.10177	18.9
99.08106	34.2
105.07011	10.8
107.04950	8.4
107.08626	17.1
109.06528	8.6
109.10166	65.7
111.00908	5.4
116.63511	5.1
117.06963	5.4
119.08600	27.7
121.06451	5.5
121.10167	11.0
123.08005	7.1
123.11740	7.8
125.09629	22.8
131.08575	11.4
133.10143	7.5
137.22934	5.4
143.08543	5.1
145.10130	8.1
147.08020	7.9
147.11674	6.0
149.13257	9.1
159.11662	5.9
165.09410	4.8
173.11804	8.8
173.69049	4.9
185.42751	4.5
227.12744	22.3
229.14334	41.6
245.18848	6.5
273.18405	24.4
291.19522	18.9
307.19147	5.9
313.27319	100.0
365.23166	24.2
408.69751	6.2
467.37402	46.5
507.40408	57.9
545.41919	6.9
585.44806	11.0
603.46075	45.5
621.47223	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	675.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
60.13508	1.0
60.16035	0.9
65.96067	1.2
67.85968	1.1
114.67000	1.1
167.23830	1.4
178.66391	1.2
194.09888	1.2
400.15250	34.7
414.16815	13.6
415.17419	2.0
428.18408	15.5
429.19260	72.8
430.19617	2.9
442.16168	5.6
444.14490	7.4
447.20367	2.2
455.17163	25.3
456.17947	10.1
457.18674	10.7
458.15842	2.2
459.16791	2.8
472.17596	7.1
473.18301	33.3
483.16342	19.2
484.21371	1.9
487.16791	2.1
497.18591	2.2
499.16193	2.9
501.17490	20.1
502.18759	5.3
511.19962	3.0
516.23749	8.1
523.16479	2.2
525.18011	1.8
527.15289	15.9
539.19189	19.3
540.19623	28.0
543.22516	8.6
544.23260	18.2
555.18658	7.2
560.22882	9.6
570.20764	2.8
571.21985	39.9
572.22046	26.3
573.19885	4.8
587.21368	2.5
588.22211	56.9
603.24689	5.7
615.21295	7.3
616.20972	15.2
619.23901	1.9
629.22595	13.8
631.24072	27.9
647.23840	13.4
657.21930	16.6
675.22900	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	675.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11392	0.6
57.79407	0.6
60.24614	0.6
82.51535	0.7
90.21091	0.7
117.37462	0.8
142.47287	0.8
156.85419	0.8
199.18225	0.9
404.32651	0.8
413.16028	1.3
427.17758	4.5
428.18414	23.9
428.94424	0.8
429.19138	3.9
441.15396	1.8
455.17142	88.1
456.17847	6.9
458.15677	8.1
469.15189	3.3
471.17160	0.9
472.17502	4.2
473.18417	4.0
483.16626	78.6
484.17007	1.2
485.18924	1.2
486.19189	10.1
487.20029	22.7
495.16577	3.0
497.18240	3.0
499.16632	3.6
501.17877	4.0
505.20706	0.9
509.18637	0.9
510.18295	1.7
513.18188	7.1
514.18634	3.8
515.19312	15.6
516.20441	3.5
523.16071	5.3
524.17346	1.1
527.15070	13.7
528.19501	3.3
537.17682	3.4
538.18054	7.1
539.19269	14.9
540.19641	4.2
541.17126	9.1
545.20026	1.7
555.18823	3.1
556.19165	8.3
557.20081	1.0
560.22858	12.6
573.19745	7.7
587.21069	10.6
588.22131	100.0
598.20538	1.0
615.20819	23.1
616.20874	1.6
619.24243	9.3
629.22528	10.2
643.20398	19.8
647.23572	18.2
657.22424	1.5
675.22858	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	675.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12040	8.2
67.96617	8.5
75.03462	8.8
79.78156	8.1
81.07055	9.9
91.28373	9.3
100.09524	8.7
109.30489	8.4
136.67369	9.8
147.95854	9.9
211.01160	8.5
238.61589	11.5
279.93674	9.3
470.19495	14.0
497.17758	12.6
510.14920	17.5
511.15881	13.6
529.20551	13.2
539.19299	12.8
540.19183	12.4
541.17102	12.0
543.18951	16.9
551.98004	10.3
556.19513	14.7
557.20551	31.3
588.22253	37.3
616.21436	16.1
643.20380	100.0
657.21252	41.0
661.20514	15.8
675.22351	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	675.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53760	0.8
70.60709	0.8
79.28704	0.8
129.27214	0.8
164.60072	1.0
441.19223	5.6
442.00684	0.9
442.20029	20.4
443.20804	0.9
456.21194	1.8
469.18726	93.4
470.18698	2.0
472.17477	15.1
474.76193	1.1
486.18854	6.2
487.19489	3.0
497.21982	0.9
500.20865	1.9
501.21237	29.3
502.21649	1.4
509.18170	4.8
513.17316	11.4
514.18207	5.7
523.20050	2.1
524.20319	15.6
528.19611	5.4
529.23853	3.3
541.20831	7.4
543.99866	1.0
555.22729	1.9
556.22803	36.1
556.30835	1.8
559.21704	1.4
573.23315	4.8
588.25800	100.0
601.22980	0.9
606.27722	1.3
615.24402	8.5
616.24866	2.1
618.23322	1.1
643.23914	9.5
647.27209	8.3
675.26306	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	675.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
66.00457	0.6
67.41138	0.6
67.54439	0.5
68.76788	0.6
81.13970	0.6
89.51022	0.5
90.18958	0.5
91.35431	0.6
103.69581	0.6
218.76978	0.6
469.14902	5.9
483.16803	3.6
484.17752	1.0
496.17603	1.3
497.18192	46.4
498.18930	2.7
499.19946	2.2
510.19141	2.2
511.19760	10.3
512.20557	1.3
515.19269	3.3
523.17023	0.7
528.16321	2.8
541.16956	1.1
542.17999	3.4
555.18842	2.9
556.19849	6.2
557.20313	6.1
616.21991	1.5
625.23358	0.8
629.22784	2.5
643.24030	15.1
644.24841	14.3
657.25653	13.4
675.26624	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	675.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68462	0.9
55.74453	0.9
72.03389	0.9
83.92950	0.9
86.68094	0.9
87.99384	1.1
108.83091	0.9
109.11794	0.9
182.91472	1.0
285.99326	1.0
295.83133	1.0
332.83060	0.9
374.64792	0.9
460.22375	5.2
501.22577	1.1
502.26306	1.2
505.22592	1.8
514.24536	1.0
523.17603	1.1
529.26349	6.8
530.97998	1.1
545.24927	2.0
552.21783	1.5
565.27997	10.3
573.24304	5.7
584.24194	6.6
585.20972	1.2
587.25891	1.2
588.26990	1.3
600.23413	4.1
601.23871	6.1
643.24939	2.0
660.25159	1.5
675.27588	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27308	1.6
56.88857	1.5
58.56707	2.1
61.53693	2.0
62.15897	1.7
67.05507	3.3
69.03391	2.0
69.07060	2.2
69.39745	1.8
73.78663	1.6
81.07066	11.3
85.02912	7.4
91.05494	3.1
91.75851	1.9
93.07048	11.2
95.01346	10.4
95.08605	18.6
103.03935	2.2
105.07041	8.8
107.08583	10.1
109.10146	10.3
113.02360	2.8
119.08580	13.1
121.10147	17.7
123.11706	7.4
129.10246	1.9
131.03383	2.7
131.08530	8.7
133.10135	10.7
135.11688	4.0
141.01833	34.0
145.10101	9.5
147.11679	12.7
149.13239	4.3
159.02892	2.8
159.11702	15.0
161.13290	7.9
173.09584	7.4
173.13257	3.8
175.11186	3.9
175.14870	2.7
177.16454	2.2
185.13231	2.3
187.11198	35.1
189.12755	11.9
189.16388	3.0
199.11090	3.3
201.09219	2.5
201.12711	17.4
201.16351	2.1
203.17984	4.0
213.09212	3.7
213.12816	4.5
215.10675	100.0
217.12405	6.6
227.14127	2.8
229.12315	12.4
233.19075	2.5
241.12083	2.5
243.10179	2.4
253.15742	2.4
261.11203	46.7
275.12790	3.6
330.47058	2.1
381.12442	2.0
423.25323	3.2
451.28198	4.1
463.28262	12.6
481.22568	2.5
481.29443	70.9
499.30392	8.4
639.30945	2.2
675.32428	60.7
675.41150	9.0
679.78735	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	675.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97884	2.3
55.05519	9.2
57.03443	4.4
61.02921	12.1
62.18637	2.3
67.05509	17.3
69.03425	2.5
69.07064	3.8
73.02914	3.5
79.05513	25.5
81.03395	9.4
81.07059	26.2
83.08617	4.0
85.02914	26.6
91.03956	19.9
91.05467	21.5
92.21301	2.8
93.07040	40.5
95.05003	2.3
95.08601	21.9
97.02892	11.9
105.07051	28.2
107.08588	28.1
109.02837	2.4
109.10146	11.6
110.62430	2.6
111.67246	2.5
115.03930	2.9
117.07027	5.3
119.08553	28.1
121.10140	27.0
123.11649	2.5
124.46561	2.7
127.03908	5.0
129.07004	3.2
131.08588	16.4
133.10112	35.1
135.11696	16.6
143.08583	5.4
145.04906	3.5
145.10112	22.1
147.11691	22.3
149.13275	5.1
157.10098	11.8
157.66418	2.4
158.02486	2.6
159.11639	21.5
161.13263	19.2
163.05963	4.9
171.11729	14.2
173.13249	5.9
175.14798	5.6
185.13237	13.7
187.14769	4.1
199.14778	4.9
208.79079	2.7
240.51392	2.4
241.19426	16.9
259.20541	43.7
285.07620	3.3
351.25299	100.0
441.26605	5.1
459.27676	4.5
477.28430	4.8
495.29294	11.3
675.39349	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	675.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36482	1.1
54.26318	1.5
55.05507	3.5
57.03439	3.5
59.07563	1.3
61.02927	12.1
61.68384	1.6
64.54681	1.3
67.05502	15.7
68.96317	1.5
69.03441	1.8
69.07060	6.6
73.02921	3.5
79.05495	17.2
81.07069	16.6
83.08628	2.7
85.02919	14.3
91.03969	14.2
91.05467	19.8
93.07035	33.2
95.04961	1.9
95.08609	19.1
97.02897	8.2
97.06530	2.8
97.10161	2.3
99.08093	1.6
105.07040	23.0
107.04961	1.3
107.08607	21.2
109.02850	2.0
109.10141	8.1
117.07015	8.9
119.08566	28.9
121.10136	19.3
123.11678	1.6
127.03900	6.2
129.06989	5.7
131.08556	12.1
133.10117	23.5
135.08005	1.6
135.11699	18.4
143.08549	3.7
145.04922	2.7
145.10109	16.8
147.11682	23.6
149.13242	12.4
151.11188	2.1
152.88499	1.4
157.10121	9.5
159.11685	12.0
161.13223	19.1
163.06026	9.4
163.14876	2.7
171.11717	13.4
173.13293	5.7
175.14780	7.6
183.11717	2.3
185.13240	10.5
199.14845	6.4
213.16371	2.5
231.21082	1.9
241.19432	11.4
259.20529	38.2
319.12714	1.6
351.25278	100.0
375.25299	2.4
406.63318	1.6
441.26260	6.0
452.92224	1.8
459.27414	7.9
477.28629	3.5
495.29114	10.8
657.34760	1.8
675.38873	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	675.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57159	2.8
55.05517	5.7
61.02928	18.4
67.05509	22.3
69.03431	3.7
69.07057	5.9
71.36698	3.1
73.02911	4.3
79.05496	18.0
80.98703	3.3
81.07058	24.1
83.04951	3.3
83.43784	2.7
85.02898	20.4
91.03944	13.4
91.05467	24.8
93.07043	39.7
95.08596	22.0
97.02890	15.9
105.07038	27.6
107.08575	24.5
109.10159	6.1
117.06988	4.6
119.08583	34.0
121.10126	20.6
127.03899	13.3
131.08546	14.3
133.10168	27.1
135.08080	4.7
135.11687	19.3
143.08574	5.6
145.04968	4.6
145.10101	7.1
147.11688	24.6
149.13260	6.4
153.01726	4.3
157.10100	4.9
159.11671	15.8
161.13246	18.6
163.05945	3.5
171.11667	14.8
173.13225	12.5
175.14804	6.0
185.13200	6.8
187.14670	3.8
195.03093	3.3
199.14877	4.3
241.19574	13.2
245.15540	3.4
259.20593	40.3
271.42053	3.0
295.83923	3.6
303.08655	4.7
310.94986	3.0
351.25299	100.0
361.63940	4.3
441.26312	5.3
477.28046	6.5
495.29681	7.2
581.87488	3.5
589.40375	3.9
675.27179	3.7
675.38788	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	675.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
65.48143	0.3
65.63029	0.3
121.10173	0.4
127.38979	0.3
152.88654	0.3
177.21191	0.3
201.03699	0.8
203.05336	0.6
215.10678	0.5
264.43484	0.4
343.15253	0.4
344.07690	0.3
458.95276	0.6
657.39642	0.7
675.40833	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17813	0.9
59.65120	0.8
66.64268	0.9
67.84869	0.9
69.72028	0.8
75.67546	0.9
96.83354	1.0
100.58780	1.0
166.06918	1.0
208.94836	1.0
235.98976	1.1
277.50787	1.1
317.09537	1.2
327.57391	1.2
341.23108	1.2
384.58658	1.0
411.20230	1.2
525.98920	1.0
619.02692	1.2
657.39667	6.7
675.40759	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	675.41
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	11.8
57.07058	2.4
58.79883	2.2
60.05679	2.3
67.05506	26.6
69.03426	5.9
69.07062	16.6
71.04980	2.7
79.05502	3.0
80.27384	2.2
81.03428	2.8
81.07056	32.4
83.08624	4.2
84.32303	2.3
85.02901	17.6
91.52345	2.6
93.07038	21.4
95.08610	32.5
97.02893	4.0
105.07019	14.4
107.08593	32.4
109.10149	82.1
119.08577	31.6
121.10110	28.0
123.11661	4.3
127.03874	4.1
131.08551	5.1
133.10115	15.8
135.11674	14.5
145.10118	19.2
147.11664	21.0
149.13249	5.9
157.10120	17.6
159.11687	16.5
161.13246	6.0
169.10051	3.9
171.11728	18.9
173.13200	11.3
175.14836	10.4
183.11673	15.1
185.13237	18.0
187.14789	6.1
195.11748	3.7
197.13271	5.8
199.14778	5.5
209.13184	10.2
211.14748	5.8
213.16347	11.2
215.14203	2.5
215.17963	4.1
223.14821	13.3
225.16325	12.3
227.17873	11.4
235.14833	3.7
237.16272	5.4
239.17946	11.7
241.15869	3.7
241.19411	11.9
249.16490	3.7
251.17946	4.1
265.19278	5.1
267.21112	3.5
279.21045	9.9
281.18744	2.7
281.22513	3.5
301.06989	3.8
309.21735	3.6
317.22656	3.6
337.25555	3.4
389.32080	26.2
399.30579	11.0
407.33133	5.5
417.31616	34.0
435.32715	23.3
477.33652	51.8
495.34689	100.0
513.35889	26.6
657.39203	5.6
675.40503	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	675.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76667	0.8
55.05515	4.5
57.07062	1.2
61.02917	0.9
67.05508	21.4
69.03439	1.0
69.07063	12.4
72.96655	1.1
79.05495	5.3
81.06336	1.1
81.07062	29.1
83.04984	1.7
83.08629	4.0
83.21543	1.0
85.02892	1.1
85.06542	2.0
91.05479	2.2
93.07037	17.1
95.04929	1.8
95.08601	31.7
97.02853	0.9
97.06493	1.0
97.10149	1.1
99.08111	8.5
100.15093	1.0
105.07029	12.0
107.07923	1.5
107.08601	26.0
109.06509	2.2
109.10165	68.4
116.86349	1.0
117.07014	1.7
119.08581	32.8
121.10139	19.4
123.08064	1.7
123.11711	6.5
125.09594	1.5
131.08574	6.2
133.10127	21.0
135.08052	4.4
135.11678	9.6
136.09663	1.1
143.08560	4.0
145.10133	18.5
147.08060	1.8
147.11694	11.6
149.09624	2.4
149.13286	9.0
155.08548	2.4
157.10162	8.7
159.08055	1.4
159.11681	10.2
161.09589	4.7
161.13271	7.5
163.11214	1.3
163.14777	1.5
169.10132	6.2
171.11696	10.6
173.09593	5.5
173.13269	7.8
175.11197	2.2
175.14801	18.0
176.41664	1.1
177.12785	1.5
181.10251	1.2
183.11717	5.8
185.09735	1.8
185.13278	6.0
187.11223	1.7
187.14806	8.8
189.16312	1.1
195.11713	6.0
197.13275	5.7
199.11162	5.1
199.14767	2.2
201.12753	2.1
201.16418	1.7
203.14160	1.2
207.11746	1.5
209.13191	2.6
211.11205	1.9
211.14818	4.2
213.12778	3.9
213.16394	1.8
215.14293	5.4
221.13202	3.9
223.14807	7.8
225.12805	1.2
225.16379	10.9
227.14247	2.4
227.17947	1.4
237.16418	3.8
239.14369	1.4
239.17926	4.6
241.15756	8.5
241.19456	1.6
247.14984	1.4
251.17892	5.0
253.19556	4.4
265.15988	1.4
265.19400	1.3
267.17450	8.5
269.18976	6.8
279.21030	1.4
281.18958	2.3
291.21027	1.4
293.22415	1.3
293.84897	1.3
295.20746	1.8
309.22336	1.8
335.23752	2.2
337.25378	2.0
349.25476	1.3
353.24707	1.5
361.25452	1.7
397.27231	10.6
417.31555	18.2
435.32632	29.2
477.33612	40.2
495.34686	100.0
529.11652	1.2
625.54065	1.1
629.29669	1.1
657.39270	1.2
675.38873	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	675.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.9
61.02934	2.0
67.05505	8.8
69.03432	8.3
69.07073	4.5
79.05493	7.6
81.03416	2.5
81.07056	14.3
81.16370	1.9
83.04967	2.1
85.02902	21.2
88.77281	1.7
91.05478	3.0
93.07050	15.7
95.08609	20.2
96.98776	1.6
97.02894	7.7
97.10140	2.2
104.18154	1.9
105.07028	14.6
107.08593	23.1
108.69768	1.5
109.02921	1.8
109.10184	12.2
116.33943	1.8
119.08607	20.5
121.10159	10.4
127.03932	3.4
131.08559	7.7
133.10106	8.5
134.24544	2.0
135.11719	4.5
143.08574	3.0
145.10167	13.3
147.11720	15.6
155.08539	2.5
157.10123	11.1
159.11719	12.4
161.13239	2.8
169.10085	4.4
171.11687	9.0
173.13283	10.2
178.63930	2.0
181.10121	2.7
183.11722	14.7
184.62794	1.7
185.13324	4.3
187.14789	3.7
195.11792	3.2
197.13312	8.1
199.14795	4.3
203.05174	2.1
209.13319	9.7
211.14886	10.8
213.16544	2.1
221.13315	3.3
223.14868	3.9
225.16371	4.5
227.17830	3.2
235.14873	3.8
237.16438	10.9
239.17932	8.0
249.16238	2.4
251.17966	7.8
253.19548	9.5
263.17838	2.9
265.19464	2.4
277.19424	4.5
279.21005	2.6
291.20990	6.9
335.37460	2.0
399.30450	7.5
417.31589	22.9
435.32587	29.4
453.34088	6.6
459.32730	3.8
477.33768	8.9
495.34641	32.0
506.15704	2.3
513.35760	23.6
545.53137	2.1
597.37665	8.2
657.39789	18.9
675.27484	3.5
675.39435	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.5283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07242	2.0
59.31319	2.2
64.02841	2.5
67.05522	4.0
71.08645	2.9
79.05496	3.4
79.24578	2.6
81.01918	23.6
81.07054	6.7
83.08618	2.9
87.50718	2.6
94.02677	22.9
95.08616	4.6
108.04208	2.8
109.02660	3.3
133.10106	3.5
136.07373	4.0
139.72014	3.6
150.08940	6.1
155.03113	3.2
164.10426	34.1
178.12042	15.5
194.11496	39.6
206.11525	66.4
208.13168	16.7
220.13083	56.2
222.14621	79.3
234.14636	52.4
236.12520	8.7
237.11115	4.6
237.13345	35.7
248.16132	22.9
250.14224	4.4
251.12608	5.2
251.15007	20.8
262.17844	15.4
266.13629	4.4
272.46127	2.9
276.19263	5.6
280.15250	15.9
308.18539	6.8
318.24063	11.3
320.25595	22.8
335.22125	5.4
346.27075	6.9
348.28448	4.4
350.22995	11.7
378.26007	28.5
380.27655	4.9
393.27194	3.6
407.28625	5.0
421.30524	10.5
518.24768	3.3
533.39539	6.6
632.12347	2.7
643.94916	3.0
675.52954	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30795	0.3
59.33397	0.3
63.62941	0.4
84.08062	0.4
98.06942	0.4
110.07080	0.5
112.03999	0.4
123.12191	0.4
137.05898	0.4
138.05435	0.9
168.71228	0.4
229.19659	0.4
246.92493	0.4
290.08029	7.7
302.07996	2.9
304.06061	7.6
308.09158	8.2
318.07565	8.8
319.08389	47.0
334.10721	100.0
382.69138	0.4
594.99054	0.4
676.23853	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	676.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74760	0.4
61.54321	0.3
62.18789	0.4
66.43678	0.4
77.77884	0.4
84.08115	0.5
86.67790	0.4
110.13938	0.4
112.50026	0.4
139.01044	0.4
251.99503	0.4
263.49847	0.4
290.08133	7.9
302.07971	1.6
304.05991	8.0
318.07587	9.8
319.08380	50.1
334.10718	100.0
374.73627	0.5
566.17255	0.4
676.23901	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	676.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74760	0.4
61.54321	0.3
62.18789	0.4
66.43678	0.4
77.77884	0.4
84.08115	0.5
86.67790	0.4
110.13938	0.4
112.50026	0.4
139.01044	0.4
251.99503	0.4
263.49847	0.4
290.08133	7.9
302.07971	1.6
304.05991	8.0
318.07587	9.8
319.08380	50.1
334.10718	100.0
374.73627	0.5
566.17255	0.4
676.23901	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	676.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30795	0.3
59.33397	0.3
63.62941	0.4
84.08062	0.4
98.06942	0.4
110.07080	0.5
112.03999	0.4
123.12191	0.4
137.05898	0.4
138.05435	0.9
168.71228	0.4
229.19659	0.4
246.92493	0.4
290.08029	7.7
302.07996	2.9
304.06061	7.6
308.09158	8.2
318.07565	8.8
319.08389	47.0
334.10721	100.0
382.69138	0.4
594.99054	0.4
676.23853	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	676.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
53.61936	0.7
55.05503	0.8
57.03432	1.4
57.28372	0.8
58.56309	0.8
61.02927	6.0
64.51921	0.9
64.55544	0.9
64.62145	0.8
67.05480	1.4
69.03453	1.1
70.06587	5.5
71.05035	1.1
72.08165	2.2
79.05492	3.7
81.03420	58.2
81.07049	2.2
83.04940	0.9
83.08622	26.9
84.08148	2.2
85.02907	9.9
91.03961	11.0
91.05491	5.5
93.07038	1.0
95.04961	17.6
97.02882	6.1
97.06555	1.0
97.87090	0.9
105.07027	2.3
107.04935	2.0
111.04414	1.4
111.08076	13.5
119.08571	4.8
120.08112	1.2
121.06499	1.2
121.10116	2.0
123.04433	1.4
123.08086	1.1
124.50555	1.0
125.09635	1.2
127.03900	3.7
129.06989	4.2
129.10245	1.3
131.08556	5.1
133.10130	4.2
145.04968	2.0
147.04347	0.9
147.07983	3.6
147.11670	7.8
149.09607	5.3
151.77223	1.0
157.10075	11.2
163.06044	4.9
163.11165	1.1
165.12750	1.8
173.12862	1.4
175.11185	18.5
193.12239	88.6
211.13269	6.1
235.13344	5.2
259.13174	1.7
263.31970	0.9
267.15894	28.8
273.15012	1.3
285.16946	100.0
299.18668	1.9
307.08539	3.1
308.09375	1.5
309.09818	1.4
309.16898	12.8
317.19531	2.1
322.10794	9.1
324.12259	24.4
325.11438	1.2
327.17926	7.4
351.18130	2.0
352.11774	2.3
363.17947	8.4
393.18668	1.4
411.20212	1.7
429.21121	4.5
447.22177	5.3
474.50366	1.0
496.15994	2.1
653.72003	1.1
676.22241	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	676.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47882	4.2
52.66311	4.2
55.01885	7.3
55.05515	10.8
57.03434	25.6
62.12175	5.0
67.04761	4.8
67.05517	76.4
69.07066	11.2
71.04984	6.6
79.05499	74.3
81.03424	10.6
81.07065	100.0
83.04987	6.5
83.08611	7.2
85.06540	5.9
90.19270	5.5
91.05474	32.5
93.07047	75.9
95.04955	21.0
95.08597	69.5
97.06535	22.9
97.10161	12.7
105.07040	31.4
107.04980	23.4
107.08611	34.9
109.06525	65.2
109.10161	28.0
117.07001	6.7
119.08590	24.6
121.02861	10.5
121.06532	8.8
121.10126	38.6
123.08046	13.5
125.05949	7.1
131.08553	28.7
131.86391	5.3
133.10153	27.3
135.08058	21.7
135.11737	11.8
138.56218	5.2
145.06531	7.0
145.10100	21.3
145.74966	5.5
147.11671	9.7
149.09660	9.4
159.08025	9.6
161.09612	11.2
163.07532	9.3
169.03055	5.8
179.10507	6.6
194.11528	6.1
201.29489	5.8
233.15408	13.2
243.17345	6.4
248.16071	8.0
261.18320	7.9
271.16879	9.5
289.18036	62.4
307.19003	12.8
335.25818	78.3
363.21637	30.4
381.22617	22.7
444.01349	6.9
623.43463	48.2
641.44147	84.8
659.44391	6.9
676.27100	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	677.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.9
55.71663	0.1
59.12135	0.1
69.03424	0.9
73.37379	0.1
75.13773	0.1
83.04984	9.7
85.02859	0.8
98.03065	0.1
111.04439	16.5
127.03931	0.2
129.05481	1.6
133.06444	0.2
148.41461	0.1
153.01791	0.6
153.05463	6.4
159.04391	0.1
171.06493	1.1
173.34138	0.1
190.30936	0.1
213.07594	0.6
231.08620	7.9
242.05841	0.5
270.05298	1.7
285.07556	100.0
327.08295	0.2
447.12881	5.0
539.15442	0.2
557.16895	0.1
659.19080	0.2
677.20746	8.2
677.39264	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	677.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05521	1.6
77.03462	0.9
77.14805	0.9
81.07049	1.4
83.08605	0.9
86.39275	0.9
91.03969	1.1
95.08617	1.6
121.10126	1.1
128.03516	1.0
143.12553	0.9
149.13213	1.2
159.11475	0.9
165.77995	1.1
206.20290	1.1
215.66652	0.9
261.22211	2.0
269.51239	1.1
277.24149	0.9
338.25345	1.9
362.25308	2.1
458.19553	4.3
469.18518	1.8
471.16611	2.2
485.18146	11.7
486.18860	1.0
488.17325	3.5
495.20886	1.1
499.19940	1.4
500.20547	5.4
502.18317	6.9
503.19333	5.2
508.17520	1.3
513.21545	26.7
514.22235	2.1
515.19592	1.3
516.20337	6.6
517.20441	15.5
522.18774	1.1
523.19745	19.2
524.20227	9.6
525.17670	20.4
526.17975	4.7
529.16681	1.4
540.20142	1.9
541.20721	22.3
542.21259	21.7
543.18732	24.9
544.19476	1.7
546.17560	1.7
557.20001	5.8
558.20599	1.2
559.21936	4.8
566.17853	1.6
567.18451	4.2
572.22681	38.8
573.23199	1.7
575.21204	7.8
590.23712	100.0
602.19928	1.6
603.20526	3.8
617.22559	8.7
618.22845	13.4
631.23804	2.0
645.21704	11.8
649.25000	16.5
659.23242	12.2
677.24152	82.3
686.15106	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	677.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50123	0.6
55.05512	0.8
62.28519	0.7
67.05506	3.7
76.23975	0.9
79.05489	1.1
81.03426	1.3
81.07048	3.9
83.08621	1.3
85.02895	1.8
93.07050	1.4
95.08617	6.1
97.02898	1.0
105.07064	1.3
106.75832	0.7
107.08601	5.1
109.02885	1.2
109.10183	7.2
110.32462	0.8
119.08577	5.8
121.10138	5.0
127.03882	1.2
131.08640	1.6
133.10136	3.5
135.08058	0.9
135.11728	1.5
145.10110	4.4
147.11615	2.5
149.13272	1.3
159.11687	1.9
161.13194	1.4
169.10136	0.9
171.11644	3.7
173.13255	4.1
183.11754	1.0
185.13147	1.3
197.13345	1.1
201.16524	1.1
201.35423	0.8
202.87071	0.8
211.14729	1.2
246.80730	0.8
302.07288	1.2
348.40875	0.8
389.93127	1.0
401.31897	4.3
419.33047	9.2
457.18649	2.0
479.35071	4.2
484.13657	12.4
485.18161	1.2
496.17480	1.3
497.17953	3.8
497.36017	1.5
498.15390	6.7
507.16711	3.5
508.17551	1.7
513.17700	100.0
521.18066	4.5
522.18665	4.3
523.15881	99.7
525.17621	1.4
531.18390	8.7
536.16949	1.9
537.17456	1.4
541.16876	1.0
551.19141	4.0
554.19836	1.2
555.18719	29.8
572.19250	7.9
573.19464	1.9
617.22168	4.4
627.20911	84.6
645.21930	51.6
677.12744	3.7
677.24237	17.8
677.35992	1.4
677.40399	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	677.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.6
59.21186	1.1
61.12144	1.3
65.52159	1.1
67.05498	1.6
76.86176	1.3
81.07052	2.1
85.02909	1.6
95.08607	8.2
96.56074	1.2
99.47614	1.3
105.07041	1.8
105.65665	1.3
107.08600	3.1
109.10155	7.2
119.08569	3.0
121.10146	2.5
121.54426	1.4
128.80284	1.6
133.10165	2.4
135.11703	1.6
145.10129	5.3
147.11606	2.1
159.11589	3.0
159.85550	1.4
161.13248	1.5
169.10117	1.8
171.11668	1.9
174.98546	1.3
197.13257	1.4
211.14729	1.8
213.16411	1.4
293.22562	1.7
302.81293	1.4
419.32813	6.5
457.18616	2.3
471.20084	1.5
479.35223	2.2
484.13431	10.7
485.17847	1.9
496.17258	1.7
497.18155	5.1
498.15292	5.1
507.16595	2.3
513.17700	100.0
521.18176	2.6
522.18921	2.6
523.15790	85.2
525.17365	1.9
531.18396	5.3
551.19165	5.8
554.19763	1.8
555.18713	26.1
572.18823	8.3
573.19513	2.6
599.69366	1.5
609.18866	1.7
617.22156	3.3
627.20898	82.2
645.21844	56.0
677.13428	3.0
677.24445	30.5
677.36487	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	677.259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31386	1.6
59.72598	1.7
66.87440	2.3
70.65289	2.1
71.37974	1.9
77.18202	2.1
81.12206	2.1
92.20899	2.8
107.10329	2.1
140.70325	2.1
145.25024	2.3
243.16402	2.2
391.42303	2.4
469.23511	4.2
491.24405	4.0
497.03168	2.5
501.22928	28.0
505.25891	3.3
513.22333	5.2
533.25226	23.1
555.23712	65.5
573.24261	9.5
647.08118	2.7
659.24908	48.4
677.25867	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61858	1.8
57.39380	1.3
64.49358	1.5
69.81377	1.6
70.00550	1.7
70.06588	8.1
81.00381	1.6
86.09678	3.3
105.37939	2.0
113.49154	1.9
118.63396	1.7
127.03951	2.2
136.07625	2.8
162.09122	13.2
168.10213	2.1
180.10161	22.0
201.71774	1.7
208.09680	63.1
230.11340	2.4
243.11247	2.8
268.08746	2.4
269.09210	2.5
287.10120	1.9
297.08688	8.8
307.10843	2.0
315.09717	48.0
316.10492	9.0
317.11255	2.9
322.75250	2.0
325.11768	1.9
339.13358	3.3
341.11484	3.2
343.13293	2.2
347.12387	16.7
355.12735	3.2
369.10718	2.9
383.12329	8.3
387.78232	2.0
399.15472	12.1
409.12433	2.0
474.16360	2.3
478.92767	1.9
505.16278	16.4
522.18707	4.5
537.18719	19.0
554.21362	100.0
555.21606	9.9
613.22748	4.4
645.25153	4.4
677.26837	3.9
677.39227	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	677.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
63.40221	3.0
67.05499	6.0
67.57479	2.9
69.07078	4.4
69.43845	3.0
70.06583	4.0
73.25643	2.9
79.05493	5.7
80.16161	3.3
81.07063	29.0
83.08606	3.2
85.02902	14.0
86.09689	3.6
86.46764	2.7
91.05509	5.6
92.21582	3.5
93.07059	27.9
95.01321	14.6
95.08614	39.1
97.02907	4.6
99.04444	5.1
100.77755	2.8
105.07027	24.0
107.08593	48.8
109.06512	3.5
109.10160	32.7
111.08119	4.0
113.02394	4.6
115.94595	3.2
119.08584	38.1
121.06511	6.6
121.10145	37.4
123.11704	13.8
131.04936	5.5
131.08580	7.4
133.06461	5.4
133.10106	40.7
135.08069	15.8
135.11713	7.4
139.11223	4.2
141.01822	45.9
145.02858	5.0
145.10103	30.6
147.04494	4.3
147.08006	4.1
147.11720	22.3
149.09602	6.2
149.13260	21.5
151.07472	6.1
151.11230	3.6
157.10112	18.3
159.02853	6.9
159.11684	33.3
161.06035	7.3
161.13260	48.7
163.14836	3.9
169.10153	5.1
171.11674	6.9
173.09583	13.9
173.13234	23.5
175.07576	4.4
175.11212	4.0
175.14757	15.5
177.05489	18.5
177.16359	6.1
182.75635	3.6
183.11674	12.5
185.09627	7.2
185.13255	13.5
187.11171	6.1
187.14818	8.0
189.09129	6.5
189.12741	3.8
189.16399	22.8
197.13535	4.3
198.36923	3.2
199.11168	14.2
201.09186	4.7
201.16396	19.7
202.23471	3.2
211.11119	4.0
211.14813	5.8
213.12694	4.5
213.16379	4.5
215.10654	17.9
217.12318	11.8
227.10585	7.5
227.14406	3.8
261.11163	5.5
267.17383	3.9
271.13120	3.3
287.16623	4.9
320.08981	5.7
334.10852	6.4
335.10934	7.9
407.25830	15.7
419.29568	5.1
425.26932	4.8
429.27789	5.6
435.29025	11.9
437.30145	15.8
447.28992	46.8
465.30048	100.0
470.47073	4.3
483.30984	68.4
631.34552	18.0
641.33191	5.4
648.03033	4.1
659.33655	4.1
677.23737	13.2
677.35138	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	677.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
63.92816	0.7
129.74332	0.8
140.01222	0.7
159.64322	0.8
215.17387	0.9
347.09641	2.6
409.17676	1.2
416.88467	0.8
442.94482	0.8
515.31921	36.1
677.37317	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	677.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	12.0
57.03437	4.7
57.07073	2.4
60.10533	2.2
61.02942	19.6
67.05508	65.4
69.03425	2.8
69.07065	15.3
71.04981	2.2
73.02906	4.7
77.40736	2.3
79.05500	37.0
80.31258	2.1
81.03423	2.8
81.07063	100.0
81.07541	3.9
83.08611	13.4
85.02905	26.8
89.62692	1.9
91.03947	21.4
91.05470	15.9
93.07046	45.8
95.04975	2.4
95.08605	85.8
97.02898	10.0
97.06509	3.9
97.10175	2.8
105.07055	19.6
107.08600	48.7
109.10155	42.4
117.07011	13.1
119.08578	24.0
121.10139	52.0
123.11710	23.1
127.03925	3.7
131.08598	19.2
133.10103	16.5
135.11696	47.2
137.09570	2.2
137.13258	5.5
145.04976	4.2
145.10091	21.9
147.11696	12.5
149.13258	26.8
159.11742	15.2
161.13231	19.2
163.06018	9.6
163.14850	10.5
165.12854	2.9
173.13287	20.2
177.16382	4.4
187.14815	11.5
201.16496	2.7
243.21011	28.6
261.22119	77.8
263.23828	2.5
279.23221	2.6
328.01218	2.3
335.25739	27.7
353.26825	79.6
477.70651	2.7
497.30957	10.6
677.26495	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	677.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12508	1.7
55.05514	10.7
57.03436	3.0
57.07079	3.0
59.68670	1.9
61.02933	28.3
62.63341	1.6
67.05508	60.8
67.82272	1.7
69.03423	3.2
69.07076	15.2
71.04966	1.9
73.02914	10.5
75.22763	2.0
79.05500	33.8
80.39130	2.1
81.07056	92.8
83.04982	2.5
83.08619	10.8
85.02901	32.6
86.49681	1.8
91.03962	38.4
91.05487	16.8
91.59403	1.8
93.07046	69.8
95.08606	73.5
97.02876	15.7
97.06540	2.7
97.10172	8.4
99.08080	3.5
105.07008	17.6
107.08601	49.1
109.10146	47.9
117.06998	9.2
119.08606	21.0
121.10138	60.9
123.11707	26.4
127.03924	9.4
128.81723	2.0
131.08565	27.3
133.10138	24.1
135.11684	38.5
137.09566	2.4
137.13260	2.9
145.04964	11.1
145.10107	21.9
147.11671	13.8
149.13242	24.5
151.11180	2.6
159.11710	19.3
161.13269	16.4
163.06049	15.8
163.14810	23.3
165.12767	3.7
173.13260	20.4
175.14807	2.7
177.16347	4.7
187.14787	11.8
201.16310	3.0
210.78568	2.3
243.21030	29.1
255.29332	2.0
261.22104	100.0
261.24826	4.5
266.98788	2.2
297.19681	2.6
329.41434	2.1
335.25986	19.1
353.26831	93.7
497.30783	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	677.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83436	1.7
54.35538	1.9
55.05519	4.5
59.77855	1.6
61.02914	9.2
67.05500	20.4
69.03425	2.3
69.07077	23.1
73.02896	2.9
79.05499	3.9
81.07060	28.0
83.08594	3.4
85.02897	7.9
91.03915	7.9
91.05473	2.3
93.07047	15.4
95.08607	37.0
96.21254	1.9
97.02881	3.6
105.07041	15.7
107.08597	31.4
109.10156	81.7
119.08578	26.1
121.10117	40.0
123.11697	11.7
127.03934	2.8
131.08582	4.7
133.10136	35.8
135.08098	2.3
135.11699	13.1
142.07692	1.8
143.08580	2.9
145.10107	28.3
147.11699	26.1
149.09560	2.3
149.13258	9.4
157.10110	23.5
159.11638	21.0
161.13261	13.4
163.14764	2.5
169.10150	14.2
171.11679	16.8
173.13242	19.3
175.14845	4.3
179.14354	2.1
181.10191	2.8
183.11725	11.6
185.11755	2.1
185.13243	19.1
187.14743	14.8
189.16460	3.2
193.15921	2.6
195.11699	4.8
197.13278	11.5
199.14799	13.2
201.16374	8.1
207.11583	3.0
209.13177	11.2
211.14836	12.1
213.16417	4.5
215.17964	3.8
221.13168	4.6
223.14793	4.8
225.16335	13.9
226.17055	2.4
227.17914	13.1
235.14784	2.6
237.16292	10.3
239.17888	13.5
241.19539	8.4
250.17180	2.3
251.17944	8.6
253.19424	15.0
254.20247	2.3
257.18930	2.5
261.16476	2.2
263.18179	1.9
265.19458	11.4
267.21017	3.6
269.18924	3.4
271.20715	2.8
277.19467	3.9
279.21033	4.7
289.19284	3.2
291.21103	3.2
293.22614	8.9
319.24213	2.6
321.25674	2.2
345.25882	3.4
359.27319	2.3
401.32010	28.7
419.33063	52.6
420.33395	4.2
437.34280	22.0
461.34229	16.3
479.35162	59.0
497.36191	100.0
515.37366	23.5
581.38495	8.3
641.40601	4.0
659.41083	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	677.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54357	1.9
55.05517	9.6
58.28233	1.8
67.05518	25.2
69.03432	11.7
69.07069	21.0
79.05501	4.2
80.55199	2.1
81.03423	3.1
81.07073	31.4
83.08634	3.0
85.02904	15.4
91.05458	2.2
92.20907	2.2
93.07039	22.4
95.08611	47.9
97.02892	5.4
97.10220	2.8
105.07032	19.1
107.08596	29.6
109.10164	100.0
119.08579	28.5
121.10136	46.9
121.35085	2.0
123.11724	15.6
125.09660	2.6
127.03919	4.3
131.08549	9.1
133.10143	33.4
135.08084	2.6
135.11710	13.4
143.08560	5.2
145.04890	2.7
145.10153	32.0
147.11752	19.6
149.13264	5.4
154.99309	2.0
157.10126	25.5
159.11691	24.4
161.13239	15.5
165.12788	4.0
169.10089	10.3
171.11652	21.0
173.13293	18.6
175.14871	11.3
183.11679	22.3
185.13271	19.2
187.14841	17.0
189.16428	4.3
197.13239	15.4
199.14841	13.1
201.16402	11.2
203.17934	3.1
209.13167	12.0
211.14828	16.3
213.16431	13.2
215.18005	3.2
221.13300	3.7
222.13934	2.4
223.14792	10.3
225.16400	13.7
227.17920	14.8
235.14998	2.6
236.15486	3.0
237.16420	11.3
239.17873	11.8
241.19551	9.2
249.16365	4.6
250.16841	2.3
251.17941	12.6
252.18379	2.7
253.19489	17.7
257.19016	3.9
261.16415	2.4
263.17902	5.3
265.19531	8.2
267.21152	8.0
269.19131	3.6
269.22653	3.0
271.20367	3.0
277.19440	11.8
279.21133	2.9
291.20975	4.9
292.21835	4.3
293.22546	11.5
333.25656	2.7
361.28934	3.2
401.31906	24.5
402.32455	5.3
419.33136	59.7
420.33307	15.3
437.34027	24.5
461.34073	12.2
479.35233	63.8
480.35233	10.6
497.36240	97.5
498.36310	3.2
515.37335	29.4
581.38831	4.6
599.39331	2.7
641.29443	2.3
641.40277	10.1
659.41394	12.4
660.41504	3.8
677.42267	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	677.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.7
57.28686	0.4
61.02919	0.5
61.04065	2.8
67.05509	2.4
69.03427	2.8
69.07063	1.0
70.06592	0.7
71.04996	2.0
72.08140	0.4
79.05495	0.6
81.03432	0.7
81.07065	3.1
81.61829	0.5
83.05000	0.6
83.08593	0.6
84.08150	0.8
85.02911	8.0
87.04478	0.9
87.05623	0.4
91.03970	0.7
93.07066	2.4
95.08611	4.8
97.02889	3.9
98.09677	5.6
99.04444	0.5
104.43113	0.5
105.07049	1.6
107.08584	4.6
109.02911	0.8
109.10152	15.0
115.08706	0.5
119.08559	3.7
121.10137	4.7
123.11710	4.3
124.07615	0.7
126.12787	10.0
127.03941	2.1
127.11224	2.3
131.08588	0.5
133.10156	2.5
135.11736	3.3
135.82274	0.4
137.13280	0.9
143.08574	0.6
145.04910	0.8
145.10146	2.9
147.11684	3.9
149.13260	3.3
152.10751	0.5
157.10167	1.0
159.08002	0.4
159.11700	3.3
161.13266	3.5
163.14841	0.7
169.10112	0.5
169.13414	1.8
171.11725	2.0
173.09607	0.5
173.13283	2.8
175.14839	1.7
178.90753	0.4
183.11732	0.8
185.13312	0.9
187.14882	2.1
189.12810	0.8
197.13289	0.6
199.14854	0.6
201.12772	3.2
203.14394	1.6
211.14952	1.6
213.16383	0.7
215.14363	2.4
217.19623	1.7
225.16316	0.5
251.18048	0.5
303.16962	0.4
352.23337	0.4
355.00821	0.4
364.79123	0.5
370.01495	0.4
419.33881	0.5
436.35864	3.2
437.34164	0.6
454.36972	5.2
462.33743	1.6
479.36362	0.6
497.37460	0.5
599.69226	0.5
677.43652	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59434	0.7
55.05503	1.1
56.95746	0.7
58.40979	0.7
59.04262	0.8
59.35334	0.7
61.02918	0.8
61.04061	1.7
65.22125	0.8
67.05510	4.9
69.03432	4.6
69.07072	2.2
71.04996	1.5
73.02914	0.8
81.03406	1.1
81.07089	3.5
83.08629	0.9
85.02906	7.1
91.51145	0.9
93.07061	1.3
95.08626	4.5
97.02888	4.4
98.09711	5.9
105.07037	1.2
107.08597	6.3
109.10160	22.4
119.08590	4.6
121.10137	6.1
123.11727	4.0
124.07568	1.0
126.12806	11.8
127.03920	1.2
127.11224	1.7
133.10152	5.5
135.11720	2.1
137.13303	1.8
145.10170	3.6
147.11708	3.5
149.13304	1.7
157.10133	1.7
159.11740	3.5
161.13278	3.8
163.14854	0.9
169.10249	0.9
169.13396	1.4
173.13271	3.7
175.14847	3.6
185.13274	1.8
187.14862	2.0
197.13271	1.3
201.12801	4.5
203.14369	3.6
203.18002	1.0
211.14897	1.1
215.14366	1.0
217.19548	1.1
301.07660	0.9
419.27731	1.0
419.33014	1.3
436.35791	5.7
454.36688	7.0
479.36438	1.1
677.43713	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34691	1.3
50.65575	1.0
53.00322	1.2
57.07085	24.4
69.07087	1.9
71.08640	44.0
73.06552	2.0
85.10182	24.4
87.04451	11.9
89.06033	97.1
91.05492	6.4
92.20997	1.4
93.07071	5.2
95.14399	1.3
98.42303	1.3
107.04974	1.9
107.07030	1.9
107.08607	5.2
109.10165	1.1
119.04980	1.9
119.08563	2.8
121.06515	26.5
121.10162	1.5
123.08089	1.5
131.07048	4.6
133.08614	32.4
135.08078	8.8
147.08035	13.3
149.09650	6.4
163.11200	8.2
165.09122	5.5
175.09714	2.1
177.11238	8.8
191.10840	1.4
209.41341	1.3
211.69080	1.3
221.13831	2.4
247.20599	20.8
283.17520	1.6
291.23236	11.3
303.67615	1.4
317.24875	1.5
327.20248	1.3
335.25729	4.4
449.73749	1.4
535.31189	2.9
599.59839	1.7
661.45337	54.6
678.29651	3.2
678.47858	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.4934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65026	10.4
54.50140	9.7
57.07050	14.5
67.05500	62.1
69.07063	27.1
74.55074	11.0
79.05486	60.1
81.07058	79.7
83.04980	13.8
83.08614	11.7
84.65441	10.4
91.05471	60.3
93.07032	90.9
95.04950	14.8
95.08582	27.4
95.67792	11.7
103.07587	11.2
105.07053	29.1
107.08574	48.1
109.10141	23.8
117.07034	14.2
119.08567	29.5
121.10123	27.8
131.08589	42.8
133.10136	25.3
145.10219	40.7
147.11681	45.7
149.13199	14.1
163.11255	14.1
179.14261	13.7
185.13278	16.3
237.18407	12.9
298.65738	14.3
337.02292	63.7
349.23715	19.7
607.44366	13.4
625.44360	67.6
637.30200	100.0
678.49133	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	678.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00341	2.0
53.03964	1.7
55.01875	2.8
55.05516	16.2
57.03437	8.5
65.03921	2.4
67.05511	38.9
69.07075	22.9
71.04999	3.7
71.08642	15.8
79.05497	37.5
81.03421	3.3
81.07059	43.5
83.04989	10.6
83.08646	15.9
88.45311	1.6
88.75345	2.2
91.05476	18.5
93.07050	34.0
95.04962	7.8
95.08602	35.4
97.06543	16.4
97.10186	8.4
99.08105	9.3
105.07023	20.1
107.04972	3.7
107.08601	31.6
109.06514	8.6
109.10143	16.9
111.08101	3.3
112.44588	1.7
115.07595	4.1
117.07024	9.0
119.08585	17.0
120.24815	1.7
121.06528	2.3
121.10129	19.6
123.08064	1.8
123.11676	6.8
125.09657	9.9
126.50534	1.8
129.06982	2.5
131.08560	6.7
133.10121	13.5
135.08047	3.2
135.11714	12.0
137.09654	3.0
143.08566	2.9
145.10139	7.3
147.07999	3.1
147.11703	7.5
149.13245	2.6
157.10167	2.2
157.48611	1.7
159.11679	3.6
161.09651	2.2
161.13240	4.0
171.11697	1.9
175.11189	2.4
179.14345	11.9
187.11165	2.6
191.10562	2.1
199.14856	2.5
237.48224	1.9
238.14166	2.0
261.18512	2.1
267.15866	2.4
275.20090	3.2
277.21628	10.4
289.18005	10.2
293.21106	32.8
298.58722	2.0
335.25818	9.2
337.27368	8.8
351.25195	8.6
367.24936	7.9
370.68433	2.1
381.22729	3.5
518.43964	2.4
527.37097	2.4
529.38440	3.7
545.38171	3.0
595.44757	2.5
607.43701	3.9
625.44330	11.9
643.45660	100.0
678.45764	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	678.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	4.1
59.57879	0.9
63.39043	0.9
67.05514	12.5
69.07066	4.7
79.05499	8.2
81.07068	13.6
83.08645	1.6
91.05482	1.9
91.34263	1.0
92.21478	1.2
93.07026	9.2
94.80959	0.9
95.08600	11.8
105.07038	4.3
107.08585	8.4
109.06522	3.9
109.10162	4.2
111.04440	15.7
119.08598	3.9
121.10131	6.8
123.08080	1.0
123.11708	1.5
125.06010	2.4
133.10176	6.2
135.08066	1.9
135.11708	7.0
137.05984	100.0
137.13274	1.9
147.11670	4.7
149.09604	5.6
149.13263	1.3
151.07550	1.6
161.09608	6.2
161.13266	1.9
163.11189	1.8
165.09154	1.7
171.11726	1.3
175.11189	8.0
175.14830	1.4
179.10670	1.1
181.12389	1.1
203.17979	8.4
213.16402	2.0
221.18994	1.9
231.17471	11.7
249.18396	5.7
277.17953	14.6
295.19031	1.4
335.25748	12.3
351.21793	11.5
383.24390	1.3
611.43097	61.5
629.43768	1.5
643.45660	15.6
651.40723	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	678.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01926	7.2
55.05510	35.4
56.28844	6.1
57.03434	10.0
61.10883	7.1
67.05514	100.0
69.07066	50.4
77.03532	7.1
79.05505	66.8
81.07053	86.7
83.08620	15.4
89.24182	7.7
91.05486	60.3
93.07037	70.1
95.08595	66.8
97.10147	9.8
105.07041	68.8
107.08608	71.5
109.10130	49.4
117.07043	32.1
119.08559	53.4
121.10161	32.0
125.09628	10.9
126.21089	7.1
126.40981	7.3
129.07042	10.2
131.08582	59.6
133.09222	8.7
133.10129	50.7
135.11708	11.9
143.08560	16.0
145.10129	36.4
147.11667	34.2
149.09691	7.4
151.16187	7.6
152.00677	6.9
155.08539	15.0
157.10150	17.6
159.11676	33.1
169.10190	14.2
171.11720	30.9
185.13126	7.6
197.13121	10.3
199.14844	12.1
209.71280	9.7
296.56662	8.2
333.24329	10.0
422.79144	9.1
513.35907	9.7
527.37433	11.0
607.43365	47.6
625.44318	57.2
660.52338	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	679.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38865	1.0
57.14515	1.0
58.74718	1.1
71.64281	1.2
82.19122	1.3
211.85155	1.2
223.83203	1.4
234.83887	1.2
268.15967	1.4
299.62009	1.2
461.23569	2.1
473.19601	2.4
489.22388	2.4
517.22363	7.7
531.23663	1.8
543.23596	2.1
545.21185	2.0
560.24048	5.2
575.26385	5.7
577.24207	1.6
603.25916	5.3
635.28351	49.4
647.24951	4.4
679.27325	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74173	1.9
69.07069	2.4
70.06580	3.4
91.43939	2.1
95.08607	3.2
114.09177	18.3
122.06040	4.7
127.03938	3.6
127.48599	2.1
136.07652	3.0
138.05507	2.2
140.07057	18.8
151.06294	2.7
160.07533	2.4
162.09172	3.4
166.05020	9.4
166.08643	44.3
174.05518	13.1
176.33266	2.2
177.05440	3.8
188.07047	2.7
194.08142	2.8
204.06535	5.5
206.08110	9.7
209.16496	4.1
213.69983	2.4
227.08197	16.9
228.15961	3.3
243.11194	2.9
255.11269	2.8
259.10818	2.7
265.09683	14.1
267.07764	4.3
267.11127	5.0
275.79724	2.3
281.09195	4.3
283.10492	3.6
285.08670	8.9
285.12335	11.3
286.09525	8.8
293.09167	23.2
295.10696	18.9
299.10199	14.6
303.13278	4.2
311.10266	47.6
312.10986	4.3
313.11813	10.1
321.08725	31.1
322.24741	3.3
323.10086	3.9
324.11038	11.6
339.09763	100.0
339.27356	2.3
341.11295	12.7
345.14478	3.2
353.11255	24.3
356.13678	5.1
371.12354	74.8
414.14502	3.9
434.16489	2.6
456.15378	3.2
480.17685	38.3
482.19214	4.5
486.91824	2.5
496.20441	3.1
506.18860	4.8
512.20282	35.4
615.24457	46.9
633.24945	3.2
647.27161	55.3
679.28790	15.3
679.50726	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	679.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	8.7
56.18285	4.7
67.05499	7.7
68.33146	4.1
70.01427	4.8
70.06567	6.6
71.36326	4.4
71.66726	4.9
81.07053	30.1
83.08643	7.4
84.08157	7.1
85.02913	18.9
93.07040	11.1
95.01340	10.6
95.08623	66.2
103.03964	5.5
107.08569	38.0
109.10171	62.7
111.08093	32.2
114.09155	34.9
119.08584	30.3
121.06538	6.5
121.10135	37.6
123.11700	11.9
133.10124	27.2
135.11688	23.0
141.01842	71.7
143.08557	6.3
145.10132	23.9
147.11711	26.2
149.13188	40.9
155.08611	5.8
157.10120	21.5
159.11656	27.2
161.13234	30.7
163.14861	11.6
166.08636	5.6
169.10080	12.7
171.11676	25.4
173.09683	5.5
173.13239	52.7
175.14838	20.3
177.05522	6.2
177.16333	20.5
183.11691	23.1
185.13235	24.8
187.11137	7.1
189.12553	6.6
189.16396	33.8
199.11198	6.4
201.12608	12.5
201.16364	23.4
203.18007	11.5
235.13138	23.9
247.13133	5.8
273.14795	12.0
322.24802	7.3
371.12637	8.9
427.28354	6.8
431.29272	9.3
437.30508	20.8
449.30569	51.7
455.31461	27.1
467.31616	100.0
485.32687	59.1
625.33929	9.4
679.51367	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	679.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	17.0
57.03439	7.7
57.07071	8.4
61.02918	27.2
67.05504	75.3
69.07069	34.2
69.97771	3.9
70.08739	3.4
73.02918	5.9
75.04449	3.9
75.51043	3.6
79.05492	25.6
81.07060	100.0
83.08629	31.6
85.02912	30.0
89.82324	4.5
91.03953	33.9
91.05464	9.3
93.07067	27.5
95.08598	98.7
97.02901	4.4
97.06532	5.7
97.10165	26.7
99.04496	5.1
105.07024	16.8
107.08600	29.3
109.10165	65.0
111.11743	6.2
119.08570	27.4
121.10177	43.0
123.08107	4.4
123.11714	34.8
127.03941	4.4
133.10147	40.7
135.11684	18.1
137.13261	15.8
145.04997	4.7
147.11687	21.6
149.13225	15.9
151.14690	5.4
161.13225	29.6
163.06021	6.5
163.14795	15.6
165.16434	9.5
175.14771	7.7
179.17999	4.6
221.89874	4.0
234.31763	3.9
245.22617	50.7
254.78893	4.2
263.23712	99.9
283.16901	4.7
337.27356	76.6
355.28543	29.2
499.33057	8.0
679.27136	6.7
679.45752	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	679.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72695	2.4
55.01890	3.0
55.05524	4.3
57.03439	3.7
57.07075	16.0
61.02924	21.9
67.05188	3.3
67.05514	62.5
69.07072	32.1
71.08644	7.2
73.02904	8.2
73.75425	2.8
79.05500	17.0
81.07065	96.4
82.23339	4.0
83.08628	23.0
85.02903	27.8
85.51642	3.1
91.03968	32.8
91.05481	14.4
93.07044	36.4
95.08612	100.0
97.02911	8.1
97.06530	7.1
97.10166	14.8
99.08109	3.9
105.07027	11.8
107.08601	23.2
109.10159	46.3
119.08595	11.8
121.10137	21.3
123.11707	30.3
127.03910	5.7
128.56664	3.3
133.10141	25.2
135.11685	21.9
137.13226	7.4
145.04970	5.2
147.11678	14.4
149.13261	12.3
159.50626	3.6
161.13272	19.5
163.06064	15.6
163.14857	15.0
165.16412	5.2
175.14827	16.4
176.47722	3.7
179.17940	4.8
189.16344	4.9
221.75734	3.3
245.22636	54.6
263.23691	98.2
306.04233	3.1
337.27383	38.9
355.28455	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	679.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29499	0.4
55.05518	0.8
61.02926	0.9
61.04053	1.9
66.49033	0.4
67.05504	3.0
69.03428	4.0
69.07074	1.7
69.91194	0.4
70.06592	1.1
71.04996	0.6
72.08156	1.1
81.03423	0.8
81.07065	3.1
84.08149	1.9
85.02907	8.0
86.73537	0.5
87.04485	1.1
91.03944	0.6
91.05504	0.5
93.07049	2.0
95.08617	5.0
97.02882	3.5
98.09684	5.9
98.10266	0.7
105.07047	1.8
107.08603	3.8
109.02879	0.7
109.10152	17.7
115.08706	2.0
119.08561	3.9
121.10150	4.0
123.11735	2.5
126.12791	10.9
127.03937	2.7
127.11218	2.0
131.08664	0.9
133.10109	3.5
135.11745	2.9
141.10213	1.9
145.04962	0.9
145.10147	2.2
147.11681	3.9
149.13235	3.6
157.10121	2.2
159.11760	2.5
161.13301	2.8
169.13324	3.2
171.11685	1.6
173.13268	2.8
175.14877	2.3
185.13258	7.3
187.14799	3.3
189.16339	0.5
197.13474	0.7
199.14862	3.4
201.16408	1.8
203.17902	0.8
203.25601	0.4
211.14914	0.6
215.17993	0.9
217.19582	2.9
234.21913	0.7
251.17854	0.6
253.19411	0.5
295.24228	0.5
321.12534	0.5
325.98782	0.4
401.80960	0.5
420.36469	1.1
438.37286	2.6
456.38342	2.0
463.37106	2.3
492.27298	0.5
679.45258	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.3
55.05521	0.8
56.09182	0.3
57.03433	0.6
57.07079	0.5
58.06606	2.2
58.61646	0.4
61.02936	1.7
61.04058	5.6
67.05510	9.9
67.80723	0.3
69.03442	3.7
69.07073	3.9
71.04989	1.3
72.17191	0.3
73.02935	0.6
73.63234	0.4
79.05479	1.2
81.03437	1.4
81.07059	6.4
83.08637	0.7
84.08170	0.8
85.02906	10.1
85.03378	0.6
87.04464	1.4
91.03962	0.6
91.05482	0.5
91.87978	0.4
92.21564	0.4
93.07053	2.6
95.08600	6.4
97.02889	4.4
97.10156	0.5
99.04468	0.5
101.07159	0.7
102.05541	0.6
105.07036	1.6
107.08608	6.4
107.51312	0.4
109.02901	0.8
109.10159	42.9
111.08141	0.5
117.06974	0.5
119.08585	4.8
121.10139	5.9
123.11686	4.5
126.12833	1.9
127.03907	3.0
127.08709	0.4
127.11213	1.8
131.08575	1.6
133.10136	3.5
135.11694	3.2
137.13228	1.2
143.08621	2.0
145.05006	1.7
145.10130	3.3
147.11711	3.5
149.13220	3.1
157.10146	2.9
159.11681	3.2
161.13245	5.3
163.14832	1.5
169.10222	0.5
169.13385	0.6
171.11711	2.2
173.13284	2.7
175.14864	2.2
177.05464	0.4
177.16446	0.5
183.11815	0.8
185.13243	5.3
187.14857	3.1
188.53297	0.4
189.12901	0.5
195.11627	0.5
197.13324	0.9
199.14867	2.5
201.16399	1.5
203.14406	0.8
211.14876	0.6
213.16386	0.7
215.17952	0.4
217.19611	1.9
225.16501	0.7
227.18069	0.6
237.16260	0.4
239.18047	1.5
253.19513	0.5
293.22879	0.7
295.24124	0.5
321.25885	0.5
403.33533	2.0
421.34836	1.6
438.37482	0.6
456.38962	0.5
679.45270	100.0
687.37250	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	679.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58046	0.4
51.94354	0.4
53.94464	0.6
55.05519	0.9
61.02932	1.3
61.04053	2.7
67.05503	2.6
69.03425	3.7
69.07069	2.8
70.06592	1.4
71.05005	1.3
72.08149	2.4
73.02918	1.1
79.05524	0.6
81.03429	2.3
81.07059	4.0
83.08631	0.7
84.08152	0.8
85.02905	9.7
87.04462	0.9
91.03988	0.7
93.07039	2.1
95.08591	5.0
96.08093	1.2
97.02907	5.6
98.09689	8.4
99.04426	0.8
105.07018	1.3
107.08581	5.8
109.02927	0.7
109.10163	20.1
113.07145	0.8
114.09196	4.0
119.08599	3.1
121.10178	3.5
123.11719	3.8
124.11237	0.9
126.12800	12.8
127.03933	3.5
127.11212	0.7
131.08589	0.9
133.10149	3.8
135.11703	3.0
137.13278	0.9
141.10237	1.4
142.16025	0.7
143.08572	1.1
145.04985	1.1
145.10127	2.6
147.04376	0.8
147.11707	4.3
149.13235	4.6
157.10117	2.9
159.11687	4.3
161.13289	3.6
162.07658	0.6
163.14793	1.0
169.13429	2.6
171.11705	1.0
173.13258	3.9
174.69608	0.8
175.14825	2.9
185.13249	6.4
187.14828	4.6
189.12833	1.0
195.11865	0.8
197.13318	1.4
199.14856	4.7
201.16394	1.3
203.18144	0.7
209.13257	0.7
217.19540	3.5
225.16194	0.8
227.17787	1.2
228.15993	1.1
234.22232	0.8
239.17914	0.6
253.19548	0.7
269.89505	0.6
295.24457	0.9
301.06940	6.1
302.07455	0.7
375.03922	2.1
420.36438	2.6
421.34549	0.6
438.37277	3.2
456.38687	1.4
463.36813	1.4
646.83044	0.6
679.45160	100.0
679.83905	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	679.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.3
55.05521	0.8
56.09182	0.3
57.03433	0.6
57.07079	0.5
58.06606	2.2
58.61646	0.4
61.02936	1.7
61.04058	5.6
67.05510	9.9
67.80723	0.3
69.03442	3.7
69.07073	3.9
71.04989	1.3
72.17191	0.3
73.02935	0.6
73.63234	0.4
79.05479	1.2
81.03437	1.4
81.07059	6.4
83.08637	0.7
84.08170	0.8
85.02906	10.1
85.03378	0.6
87.04464	1.4
91.03962	0.6
91.05482	0.5
91.87978	0.4
92.21564	0.4
93.07053	2.6
95.08600	6.4
97.02889	4.4
97.10156	0.5
99.04468	0.5
101.07159	0.7
102.05541	0.6
105.07036	1.6
107.08608	6.4
107.51312	0.4
109.02901	0.8
109.10159	42.9
111.08141	0.5
117.06974	0.5
119.08585	4.8
121.10139	5.9
123.11686	4.5
126.12833	1.9
127.03907	3.0
127.08709	0.4
127.11213	1.8
131.08575	1.6
133.10136	3.5
135.11694	3.2
137.13228	1.2
143.08621	2.0
145.05006	1.7
145.10130	3.3
147.11711	3.5
149.13220	3.1
157.10146	2.9
159.11681	3.2
161.13245	5.3
163.14832	1.5
169.10222	0.5
169.13385	0.6
171.11711	2.2
173.13284	2.7
175.14864	2.2
177.05464	0.4
177.16446	0.5
183.11815	0.8
185.13243	5.3
187.14857	3.1
188.53297	0.4
189.12901	0.5
195.11627	0.5
197.13324	0.9
199.14867	2.5
201.16399	1.5
203.14406	0.8
211.14876	0.6
213.16386	0.7
215.17952	0.4
217.19611	1.9
225.16501	0.7
227.18069	0.6
237.16260	0.4
239.18047	1.5
253.19513	0.5
293.22879	0.7
295.24124	0.5
321.25885	0.5
403.33533	2.0
421.34836	1.6
438.37482	0.6
456.38962	0.5
679.45270	100.0
687.37250	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	679.4743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.5
57.03436	1.4
57.07086	1.9
67.05516	6.1
69.07079	3.4
71.08647	3.2
71.38898	0.7
79.05501	4.2
81.03400	0.9
81.07053	6.3
82.07394	0.9
83.08647	0.8
85.10192	1.1
91.05502	1.8
93.07046	5.7
95.08622	5.2
96.08936	1.0
97.06517	1.8
97.10187	1.0
105.07055	1.6
107.08618	3.2
109.10174	1.1
111.08149	0.9
115.07631	1.0
116.97530	0.8
117.07053	0.8
119.08590	1.2
121.10134	1.1
133.10150	1.1
135.11665	0.9
149.13139	0.8
182.58032	0.8
197.13313	0.9
246.49944	0.8
270.30850	0.8
280.27957	0.9
336.26419	1.4
348.12314	1.1
367.20923	12.5
407.37219	0.9
423.23462	5.6
581.33636	0.9
626.44934	1.4
644.46216	4.2
679.47675	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.511
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07076	2.3
69.17583	0.4
70.93446	0.4
79.05514	0.4
89.46809	0.5
92.20939	0.8
93.34807	0.4
96.08129	13.1
113.10767	5.7
114.09166	62.0
115.07572	1.0
123.50236	0.4
132.10208	0.9
157.04054	0.5
187.20012	0.4
208.18134	2.3
209.16499	31.4
210.14915	0.7
226.19118	11.6
227.17485	6.3
228.15953	19.9
245.18623	2.8
321.26550	2.8
322.24875	18.8
323.23334	0.6
339.27664	6.3
340.25952	2.4
341.24359	6.6
434.35126	1.0
435.33286	5.7
436.31799	0.5
452.36121	3.0
453.34448	1.0
547.43042	0.7
548.41992	2.3
565.44678	0.7
566.42914	2.3
661.50476	4.3
679.51141	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.6
57.03430	1.5
61.02929	23.2
67.05511	30.7
69.03430	2.2
69.07053	2.9
73.02923	8.1
79.05497	20.3
80.60291	1.5
81.07066	45.6
85.02912	35.1
85.06506	1.7
91.03958	29.2
91.05472	12.5
92.20923	2.8
93.07045	36.6
95.08614	45.4
97.02903	14.4
105.07019	14.8
107.08588	35.5
109.10152	33.9
117.07056	4.5
119.08561	14.3
121.10146	40.7
123.11712	9.4
127.03918	4.6
131.08540	15.6
133.10120	15.6
135.11700	39.1
137.13240	3.8
145.04974	13.2
145.10147	25.3
147.11659	17.2
149.13255	25.1
159.11674	14.5
161.13214	3.9
163.06030	15.1
163.14842	7.8
173.13312	11.3
187.14853	2.5
205.15996	2.6
229.19530	31.3
247.20560	70.3
321.24234	14.7
339.25299	100.0
483.29791	3.3
495.42960	2.2
598.60931	1.9
694.56030	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	680.5094
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00049	0.9
55.01878	0.9
55.05513	5.5
58.06593	1.4
58.89514	0.9
67.05508	13.6
69.07068	5.7
77.81427	1.1
79.05488	4.3
80.78109	0.9
81.07062	18.1
82.95760	1.0
83.08621	5.7
91.05470	1.1
93.07027	4.2
95.08621	11.8
107.08573	2.0
109.06504	3.7
109.10150	6.0
111.04459	15.1
111.05205	1.8
119.08595	2.3
121.10152	6.3
123.11668	4.8
125.06009	1.6
127.31375	1.0
133.10110	2.5
135.08078	1.6
135.11702	4.6
137.05977	100.0
137.13327	3.7
147.11667	6.4
149.09599	2.1
151.07536	1.2
157.10086	1.1
161.09622	5.6
161.13234	2.0
163.11195	1.8
165.09103	1.7
166.12376	1.1
171.11667	1.4
175.11153	4.2
177.54509	1.2
179.10632	2.3
203.17961	6.7
213.16383	2.3
219.10751	1.1
221.19003	2.4
231.17365	11.3
249.18352	4.2
277.17935	17.2
295.18979	1.4
337.27350	15.4
351.21548	4.9
613.44611	69.5
645.47028	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	680.5092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80713	1.3
55.01861	1.8
55.05520	3.1
55.67901	1.2
60.09510	1.5
61.07425	1.3
67.05525	12.1
69.07059	6.5
81.07068	21.1
83.08631	3.3
90.32833	1.6
91.05504	1.8
93.07043	3.0
95.08617	14.8
97.10134	2.0
97.14301	1.8
107.08617	2.5
109.06535	2.1
109.10159	8.1
111.04452	13.4
119.08614	1.5
121.10143	3.4
123.11739	2.8
125.06060	3.3
133.10172	3.5
134.11139	1.7
135.11700	3.1
137.05984	100.0
137.13277	2.2
147.11700	2.9
151.00397	1.6
161.09642	6.5
161.13205	2.3
163.11151	3.3
165.09135	2.7
168.71960	1.6
175.11235	6.7
203.17912	6.3
231.17429	10.8
249.18501	2.9
277.18063	16.0
295.19510	1.9
337.27414	17.3
351.21725	11.4
386.13324	1.9
409.45639	1.9
449.51517	2.0
473.08524	2.0
596.35474	1.8
613.35278	2.8
613.44720	70.3
645.46881	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	681.1656
Annotation	Palargonidin 3-(6''-malonylsophoroside)
Peak:m/z	Relative Intensity
53.00297	0.1
53.03950	0.5
55.01869	0.5
55.45746	0.1
57.03450	1.0
61.02925	0.2
64.61162	0.1
68.99800	0.1
69.03049	0.2
69.03430	4.1
71.04991	0.2
73.02912	0.5
81.02953	0.1
81.03426	2.8
85.02906	5.8
87.00833	2.3
87.04473	1.0
91.03957	0.1
97.02895	4.6
97.13837	0.1
99.04466	1.4
105.01866	1.4
109.02881	3.0
114.95018	0.1
115.03927	1.0
115.74371	0.1
117.01855	0.2
127.03912	3.7
128.05994	0.1
129.01834	0.5
132.02130	0.1
133.04924	0.1
138.26421	0.1
145.04953	1.2
156.22974	0.1
159.02901	1.8
201.03967	0.4
209.31296	0.1
213.03976	0.1
231.04901	0.6
286.04651	0.4
301.07056	100.0
313.07169	0.1
328.84067	0.1
343.08087	0.5
433.11337	0.2
544.89032	0.1
549.12366	5.8
570.91809	0.1
609.51892	0.1
618.03162	0.1
655.84106	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	681.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.9
54.56566	0.2
55.01872	1.1
55.31442	0.2
55.83815	0.2
57.03439	1.5
61.02915	0.2
62.00494	0.2
62.42212	0.2
62.55882	0.2
63.01374	0.2
64.32809	0.3
66.05231	0.2
68.99801	0.2
69.03439	3.6
71.05000	5.6
73.02920	1.0
81.03426	4.3
81.44592	0.3
83.05011	0.7
85.02907	11.6
87.00838	3.6
91.03965	0.2
92.21474	0.2
97.02895	2.3
99.04442	1.9
105.01904	2.3
109.02882	5.5
117.01884	0.3
127.03915	6.1
129.01860	1.0
129.05505	0.8
145.04968	1.5
159.02893	3.1
201.47346	0.2
213.04071	0.4
231.05000	1.1
265.93094	0.3
287.05493	100.0
329.06604	0.5
347.52359	0.2
352.42932	0.3
433.11060	0.3
476.18628	0.3
535.10840	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	681.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98168	0.4
69.03404	0.7
70.06559	0.6
81.03397	2.1
84.08124	0.4
85.02895	0.4
89.03901	1.5
91.05455	1.8
102.44865	0.4
109.02838	0.9
111.08097	0.4
117.03362	4.7
119.04951	7.3
122.05983	0.5
137.06021	0.5
140.07030	2.0
145.02847	34.9
147.04404	70.3
149.05949	1.5
156.81564	0.4
162.09076	1.5
177.05453	100.0
180.10242	1.5
204.06548	2.5
206.08118	0.5
208.09612	2.9
228.10332	0.4
255.11246	0.6
256.09885	0.5
259.10748	11.7
273.12418	1.5
283.10892	0.7
287.10220	0.5
301.11804	13.9
319.12866	6.6
321.09720	2.6
337.13879	7.9
339.10693	6.0
343.13113	0.5
345.14597	0.8
357.18561	0.5
362.43726	0.4
371.12335	0.6
401.14697	0.4
405.43042	0.4
450.16550	0.4
459.21774	0.5
464.18207	0.8
467.13074	0.5
474.18573	2.1
485.14462	4.0
491.47568	0.4
492.17770	2.0
519.24054	7.7
524.20276	12.0
649.25195	0.7
663.26227	0.5
681.28882	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	681.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
62.88914	0.7
64.65743	0.6
74.06091	1.0
118.06553	1.9
132.08069	1.7
144.08090	4.0
146.06009	35.2
147.04352	3.6
147.35396	0.9
159.09135	4.2
170.79182	0.9
188.07063	100.0
205.09732	32.1
282.90430	0.8
644.97955	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	681.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
60.21732	0.4
64.55750	0.4
69.07064	0.4
70.06579	0.7
81.03405	0.5
84.08127	0.8
84.72375	0.4
85.02875	0.8
90.87662	0.4
95.04964	0.5
97.06509	0.5
112.07629	0.6
120.08048	0.5
122.06003	5.7
124.07561	0.5
127.03883	0.6
129.10226	1.0
136.07568	1.1
138.05502	2.0
140.07060	7.7
145.02814	3.5
146.06007	2.8
147.04399	6.1
150.05479	2.5
152.07018	1.1
153.81763	0.4
158.08028	0.4
162.09120	2.0
164.07094	4.9
172.03912	2.3
174.05507	2.4
177.05447	9.9
180.10193	1.1
182.08147	0.9
186.09036	0.5
190.04968	0.7
204.06560	14.7
206.08044	3.3
208.09679	5.9
214.08690	1.1
215.08086	1.7
228.10234	3.5
229.09673	0.5
231.11383	0.6
241.09702	0.8
242.08060	0.5
243.11305	0.9
245.09232	0.8
245.12854	0.5
247.10773	2.3
255.11160	5.8
256.09622	4.3
257.09247	0.9
257.12830	2.6
259.10751	95.8
271.10721	1.7
273.12259	11.3
283.10739	6.3
285.12360	0.8
287.05515	3.1
287.10211	0.7
301.11807	100.0
303.13275	0.8
311.10248	3.7
313.11856	2.0
317.11426	0.9
318.12213	0.6
319.12863	49.8
325.11636	0.6
329.11203	0.6
337.13898	57.1
339.10294	0.6
343.12946	0.8
345.14392	3.8
353.11179	0.8
357.18826	0.7
362.15979	0.6
431.94202	0.5
450.16663	0.6
459.89301	0.5
474.18414	2.3
485.14297	0.6
492.17383	0.9
519.24103	6.7
524.20459	4.0
631.23529	0.8
645.26007	1.0
649.25018	2.2
663.26532	2.0
681.28931	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	681.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01649	0.5
69.07053	0.6
70.06599	2.8
80.51644	0.5
84.08163	0.9
94.06594	0.9
97.06561	0.8
103.90016	0.6
120.08060	0.9
122.06026	8.4
129.06627	0.8
136.07556	0.8
140.07068	15.3
146.06004	3.9
150.05498	1.5
152.07030	1.1
156.06483	0.7
156.21127	0.6
162.08997	0.7
164.06984	0.8
164.10704	1.2
167.59694	0.6
172.03935	5.1
174.05490	6.5
180.10136	0.8
191.05757	1.4
192.10201	9.0
202.41438	0.6
204.06555	22.8
206.08118	6.2
208.09700	1.0
214.08682	1.0
228.10127	3.6
229.09779	2.4
241.09555	0.7
242.08162	1.2
243.11295	3.6
245.09195	4.0
245.13005	0.9
246.23906	0.7
247.10739	1.4
255.11269	8.0
256.09665	4.1
257.09198	1.0
257.12723	1.4
259.10764	100.0
271.10828	6.9
273.12338	10.5
275.10077	0.8
283.10736	6.6
287.10361	5.5
289.11792	1.1
297.12369	0.8
299.10101	1.0
301.11823	97.9
313.11749	3.3
315.13272	1.4
319.12894	52.3
329.14938	1.1
331.13007	0.8
335.12286	1.3
335.97867	0.7
337.13943	49.5
345.14438	4.9
347.16113	4.8
474.17682	0.7
505.18558	1.3
519.23706	2.5
631.24146	1.0
645.25568	1.1
649.24414	2.6
663.26660	15.5
681.28491	17.2
712.05884	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	681.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34213	0.4
69.03438	0.6
69.07069	0.9
70.06587	1.2
71.04991	0.8
80.46452	0.5
84.04507	0.5
84.20345	0.4
85.02892	1.0
94.06591	0.7
97.06515	0.8
109.02893	0.8
122.06007	4.8
136.07573	0.9
140.07054	9.4
145.02908	0.6
146.06010	3.0
147.04424	2.1
150.05457	1.1
152.07065	1.2
162.09135	1.9
164.07053	0.7
172.03914	2.0
173.04822	0.5
174.05528	2.7
177.05461	3.9
180.10231	2.4
181.92798	0.7
186.08931	0.5
204.06560	13.9
206.08058	5.6
208.09702	5.6
214.08644	0.9
215.08266	0.6
228.10129	2.3
229.09688	0.7
241.09747	0.7
245.12869	0.6
247.10687	1.2
255.11244	6.1
256.09689	4.3
257.09140	0.9
257.12872	2.7
259.10754	88.6
271.10666	0.5
273.12286	11.0
279.45651	0.5
283.10739	5.2
285.09268	0.6
287.05466	8.9
301.11813	100.0
311.10098	0.7
311.31686	0.7
313.11813	2.2
317.11301	2.5
318.12128	0.8
319.08997	1.1
319.12854	50.9
337.13913	52.3
345.14285	4.3
347.16019	0.8
474.18567	2.2
512.20398	0.6
524.20172	0.8
535.10626	0.6
631.23218	0.8
645.25397	1.9
649.24500	2.0
663.26013	2.3
681.27655	6.8
692.33881	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
62.49929	1.4
67.05500	1.6
79.05491	1.9
79.93247	1.7
81.07055	4.0
81.29215	1.4
91.05479	1.9
93.07016	2.6
95.08612	1.7
119.08595	12.1
164.55659	1.6
173.21608	1.8
209.96915	1.6
213.91058	1.8
224.13187	1.9
421.23071	2.3
459.21210	3.7
473.22931	2.3
475.21515	3.3
476.24203	3.0
486.24240	4.2
487.20755	4.0
488.21820	2.6
501.22653	3.5
502.19998	2.0
518.24994	2.2
519.24207	2.5
521.86133	1.7
529.22131	4.1
533.25177	8.2
545.25244	7.2
546.25928	23.3
551.26508	4.0
561.24921	58.0
574.24841	2.4
589.24188	16.2
605.26831	2.2
606.27820	39.3
621.26990	11.2
622.27148	8.1
628.46252	2.2
639.27728	9.4
663.28082	22.5
681.29144	100.0
681.42529	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	681.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	4.5
67.68082	2.3
70.34029	3.1
76.00353	2.6
79.05493	3.9
79.19457	2.9
95.08643	4.5
107.08575	4.1
114.65215	2.7
225.13864	5.6
239.15393	2.7
390.69653	3.1
446.21075	4.3
474.20007	2.8
475.21207	15.5
487.21063	3.5
501.23059	4.9
502.19919	15.6
515.20734	5.7
529.21924	9.4
561.25012	67.0
589.24597	29.9
607.65875	3.3
621.26678	5.2
663.28137	100.0
681.29144	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	682.416
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99413	1.4
55.05516	2.0
56.97782	1.4
60.15488	1.7
61.02951	1.4
63.10147	1.3
63.92472	1.4
67.05511	25.5
67.53010	1.7
69.03430	2.6
69.07062	6.7
69.11096	1.5
71.49566	1.7
81.07056	17.3
83.04939	2.1
83.08607	1.5
85.02915	2.7
86.92855	1.4
91.05468	2.3
93.07040	9.6
95.08630	12.3
97.02885	1.9
99.04422	2.4
99.08111	1.8
105.07059	3.6
107.08575	13.0
108.29705	1.6
109.10161	100.0
113.00642	1.6
119.08587	15.6
121.10200	2.3
123.11668	2.3
127.03963	2.2
131.08592	2.8
133.10124	7.2
135.08083	2.6
135.11717	3.6
143.08595	2.6
145.10101	14.0
147.07968	2.6
147.11681	3.5
149.13264	3.4
149.88954	2.0
154.98112	2.2
157.10129	9.0
159.11723	8.1
161.09627	2.5
161.13251	2.0
165.36884	1.7
167.14282	1.9
169.10059	12.9
171.11676	16.9
173.13223	5.7
183.11676	8.9
195.11601	2.0
195.13577	1.9
197.13286	7.1
199.14781	1.9
202.26186	1.6
211.14833	3.5
219.21184	1.8
221.13200	1.8
223.14806	9.6
239.14323	9.1
241.15831	2.5
253.15880	6.6
255.17352	2.5
257.15234	3.0
258.10107	1.9
301.07217	3.4
302.07303	4.0
335.11359	2.1
407.29492	9.6
431.29413	8.8
443.31439	3.2
449.30585	16.7
467.31671	24.0
485.32602	10.4
503.34097	1.9
646.51215	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	682.525
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76393	1.6
53.00293	2.1
53.33209	1.5
55.01866	3.9
55.05518	20.3
55.67570	1.8
57.03446	17.3
57.07076	3.9
67.05507	91.6
69.03432	2.0
69.07063	33.9
70.15900	1.5
71.04989	6.8
71.08645	2.0
79.05499	29.6
81.07058	100.0
83.04977	3.5
83.08625	33.0
85.06516	6.5
85.10194	2.2
91.05487	26.7
93.07044	54.4
95.04958	3.9
95.08611	73.0
97.06528	10.1
97.10165	19.0
100.65018	2.0
102.86736	1.7
105.07046	22.0
107.08591	38.5
109.06516	4.0
109.10154	57.9
111.08076	9.3
111.11760	2.0
117.07032	7.6
119.08578	27.4
121.06464	2.2
121.10134	24.6
123.08090	2.5
123.11715	15.9
125.09629	12.2
129.07034	2.3
131.08562	12.1
133.10118	29.9
135.08055	2.9
135.11691	12.5
137.09644	3.8
137.13301	3.3
143.08505	2.2
145.10143	9.5
147.11754	16.2
149.09587	3.2
149.13277	10.8
151.11224	2.9
155.10646	1.8
159.11649	12.8
161.13219	4.1
163.11200	3.3
163.14864	2.8
173.08728	2.0
173.11792	4.3
173.13176	2.5
175.14827	3.2
177.12871	2.1
189.16310	2.6
195.13799	2.2
227.12845	8.1
229.14290	16.6
239.17999	2.4
245.22566	2.2
263.23584	3.8
269.17538	15.1
275.20108	17.8
291.68097	1.8
309.20633	4.3
320.47223	2.1
325.04019	2.1
337.27359	74.7
349.23648	13.7
367.24796	11.9
491.37256	30.8
491.54852	2.0
529.37994	2.0
531.40405	63.1
562.58270	2.2
571.43536	31.7
611.46661	35.5
629.47797	35.5
682.42694	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	683.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89289	0.6
66.28415	0.6
78.65627	0.6
83.34260	0.6
92.40224	0.6
96.53581	0.6
120.65488	0.7
123.49888	0.8
232.51147	0.6
306.95950	0.7
394.21719	1.2
431.22406	1.0
445.20169	1.0
449.19815	1.6
458.21210	5.3
459.22067	7.2
461.19589	0.9
467.21042	4.2
473.19803	4.8
475.21320	0.7
476.22266	1.4
477.23645	5.8
481.22534	1.2
485.19775	4.7
486.20718	1.5
487.17239	3.3
487.21756	3.2
490.23590	3.8
502.21021	1.6
503.21075	0.8
504.21521	1.4
508.25140	1.0
509.25659	4.8
517.22693	4.7
518.23260	12.0
519.19745	4.9
531.20599	1.0
532.21307	3.2
533.21918	2.7
535.23584	0.9
536.20374	1.6
545.21826	18.0
546.22485	4.5
547.22583	0.8
550.22473	3.2
557.74432	0.9
559.19922	1.2
563.23206	5.0
573.21417	3.5
577.24847	7.7
595.25354	3.6
605.23993	56.8
610.45068	0.8
624.25842	0.9
633.23596	8.2
665.26056	46.3
683.27148	100.0
683.44324	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	683.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
77.84898	1.1
102.89285	1.4
117.23226	1.2
124.72940	1.6
156.09520	1.4
172.42101	1.3
249.49672	1.5
265.13510	1.3
277.13577	2.9
338.62173	1.4
426.14496	1.6
427.21326	1.4
434.21313	1.4
435.22064	1.6
439.17108	1.6
453.19351	2.1
454.20081	2.2
461.19772	2.3
479.20773	25.5
480.21460	5.2
481.22427	11.0
482.23477	5.7
489.19202	2.1
490.19910	2.7
493.18164	1.6
494.23163	62.1
505.22043	4.3
507.20200	2.6
517.19092	1.8
521.21973	4.7
537.24921	2.2
565.24585	1.7
569.24261	4.7
596.26154	32.6
609.23273	22.9
651.24774	7.8
683.27057	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	683.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92242	1.4
85.68752	1.5
97.07276	1.7
177.36452	1.5
206.22649	1.6
279.33353	1.5
419.22488	3.8
420.22955	7.2
436.22479	8.1
447.21085	14.6
449.19385	14.3
452.21866	1.7
462.20456	2.5
463.21265	100.0
464.21848	15.7
465.22995	2.0
475.20914	30.4
476.22095	7.5
477.22803	8.5
479.14822	1.9
490.19202	13.8
491.20276	18.0
492.24634	2.5
501.22504	6.1
505.22290	25.5
507.23886	2.8
519.24030	54.8
521.21936	2.9
533.21887	10.7
536.24243	47.1
537.24915	30.9
563.23120	6.4
579.25684	8.3
591.21979	1.8
596.17499	1.9
596.26263	3.1
623.25024	74.4
639.28149	3.1
640.24585	2.2
641.26056	7.9
683.27179	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	683.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12501	1.3
52.95390	1.3
63.36882	1.5
66.15075	1.3
70.54329	1.7
92.20831	1.6
159.49222	2.0
207.01761	1.6
219.98328	1.9
225.13884	1.9
242.43109	1.5
470.50116	1.9
475.21533	2.3
477.22995	3.6
484.18259	2.6
484.35233	2.0
519.18390	1.8
544.21417	2.2
559.22638	2.7
576.23590	3.4
591.25690	10.2
635.97119	1.9
651.28210	100.0
683.29926	9.8
683.43604	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	683.378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.01878	0.7
55.05527	2.5
55.38419	0.5
57.03451	0.6
57.07095	0.9
59.09323	0.5
63.36079	0.5
67.05514	11.8
69.03438	8.2
69.07078	7.3
71.05013	0.8
73.02924	0.6
79.05504	3.9
81.03431	6.3
81.07065	14.0
83.08614	1.5
85.02910	10.6
87.00837	3.6
91.05499	3.7
93.07051	8.8
95.04955	1.0
95.08607	17.4
97.02907	3.5
97.06557	0.8
99.04468	3.9
105.01890	2.6
105.07040	8.4
107.08599	15.6
107.77140	0.6
109.02868	8.7
109.03480	0.6
109.06522	1.0
109.10165	28.1
117.07001	1.3
119.08596	17.0
121.06498	2.2
121.10176	9.4
123.08097	1.3
123.11718	3.3
127.03934	10.5
129.01830	0.8
131.07762	0.6
131.08546	4.9
131.90268	0.7
133.06522	1.2
133.10136	14.2
135.08115	0.8
135.11699	6.6
143.08603	4.0
145.04993	0.7
145.10109	9.7
147.11678	9.7
149.09625	1.0
149.13272	5.5
151.00171	0.7
155.08702	0.9
157.10178	3.9
159.02916	3.1
159.08078	1.2
159.11705	7.1
159.20367	0.6
161.09579	1.3
161.13301	4.7
163.11139	0.8
163.14877	1.0
169.10143	3.4
171.11673	5.7
173.09612	5.0
173.13185	4.8
175.11229	1.3
175.14824	24.5
177.12730	0.6
177.16426	0.9
181.10167	0.8
183.11752	3.5
185.09650	1.1
185.13321	3.1
187.11276	2.5
187.14775	8.8
189.12822	0.9
189.16376	1.4
195.11703	2.4
196.31099	0.7
197.09663	1.0
197.13287	3.7
199.11284	3.1
199.14877	1.3
201.12689	2.1
201.16425	1.2
203.17984	1.0
207.11720	1.0
209.13309	3.2
211.11374	0.6
211.14883	2.5
213.12730	3.1
213.16519	0.8
215.14308	12.3
221.13335	2.8
223.14893	1.4
225.16418	3.3
227.14352	1.3
227.17972	2.8
235.14932	1.1
237.16438	2.6
239.14249	0.9
239.17908	2.1
241.15988	1.4
241.19536	0.8
249.16495	2.3
251.14500	0.7
251.17987	2.4
253.15837	0.9
255.17570	1.2
265.16068	0.9
265.19617	1.2
267.17532	2.6
269.19049	2.7
277.19598	0.8
279.20993	0.7
281.19052	1.1
291.20941	1.1
295.20450	0.9
307.20734	0.7
309.22171	2.6
327.23407	2.8
331.24258	1.0
333.21942	0.9
335.23767	1.0
359.27457	0.9
361.25375	0.9
399.30530	3.6
417.31531	21.5
423.39044	0.8
425.31949	0.7
435.32611	10.5
639.38458	1.0
665.37012	4.6
683.37860	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	1.2
55.01878	0.8
55.05517	4.1
57.07089	1.1
58.05959	0.5
60.03963	0.5
61.02918	0.8
65.03944	0.6
65.25474	0.6
67.05510	10.8
69.03429	5.7
69.07079	8.6
73.02890	0.8
79.05505	3.8
81.03431	7.5
81.07059	12.8
83.04999	2.6
83.08625	2.8
85.02906	13.3
87.00842	5.1
91.05496	5.1
93.07033	10.1
95.08615	18.6
97.02914	5.6
99.04481	3.8
105.01887	4.3
105.07030	10.6
107.08596	18.6
109.02882	7.9
109.06524	1.7
109.10159	29.4
111.08142	1.0
117.07044	3.0
119.08572	23.3
121.06537	1.5
121.10144	12.3
123.08102	1.6
123.11716	3.5
127.03920	12.0
129.01872	0.9
129.07005	0.9
131.08589	6.9
133.06516	2.8
133.10136	15.4
135.08067	1.2
135.11690	5.6
143.08533	2.1
145.04987	1.5
145.10141	13.9
146.39909	0.6
147.08063	1.5
147.11685	10.6
149.09656	3.8
149.13214	7.1
155.08636	0.9
157.10156	6.0
159.02869	4.8
159.08064	2.9
159.11652	8.2
161.09656	1.3
161.13263	6.0
169.10194	4.5
171.08067	1.0
171.11658	7.7
173.09607	5.8
173.13258	7.3
175.11290	2.5
175.14818	26.9
177.12770	1.4
181.10185	1.0
183.11723	4.4
185.09621	1.3
185.13260	5.2
187.11171	2.8
187.14813	10.1
189.12866	1.0
189.16466	1.1
195.11748	2.6
197.13287	3.8
199.11246	2.9
199.14941	1.1
201.12759	2.8
201.16428	1.7
203.18016	1.3
207.11649	1.0
209.13310	4.1
211.11133	0.7
211.13052	0.8
211.14915	4.2
213.12854	3.0
213.16371	0.9
215.14268	13.9
221.13365	1.4
223.14938	2.7
225.12819	1.6
225.16478	2.9
227.14345	1.4
227.18010	1.3
229.15918	1.4
235.14890	2.9
237.16409	2.3
239.14328	3.2
239.17906	2.9
240.14883	0.8
241.15967	1.4
241.19693	0.7
247.14697	0.9
249.16496	1.4
251.18057	1.0
253.15932	0.7
255.17323	1.2
265.15637	0.7
265.19794	1.2
267.17462	1.6
269.19077	2.9
277.19693	1.0
279.17484	1.2
279.20889	1.1
281.19080	1.4
283.20865	0.9
291.21289	1.2
307.20749	1.2
309.22202	2.7
317.22821	1.2
327.23270	3.6
333.22092	1.2
353.24756	1.4
361.25391	1.2
399.30698	3.2
417.31497	23.2
435.32541	14.3
639.37805	0.8
665.36761	6.8
683.37891	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75993	1.4
55.00399	1.5
55.05513	2.7
67.05501	8.7
68.99840	1.9
69.03441	7.7
69.07065	7.7
71.60173	1.7
79.05495	2.9
81.03405	4.3
81.07054	13.8
83.08620	1.9
85.02909	11.0
93.07041	11.7
95.08617	15.0
97.02899	4.2
105.07064	6.8
107.08580	15.8
109.02859	3.0
109.10159	26.9
119.08597	16.4
121.10161	9.2
127.03907	14.0
131.08580	10.6
133.10144	14.6
135.11720	3.2
143.08603	2.0
145.04976	2.2
145.10161	12.2
147.11688	7.7
149.13203	2.8
159.02960	2.3
159.08070	2.7
159.11688	7.2
161.09583	2.4
169.10184	2.8
171.11671	3.0
173.09663	3.6
173.13284	4.5
173.26479	2.2
175.14830	21.9
177.12743	2.1
183.11650	3.0
187.14867	10.8
195.11882	2.3
205.92558	2.0
211.14905	4.1
215.14287	17.9
225.16403	2.7
227.17957	2.1
239.14278	2.4
251.17877	2.4
279.21384	2.0
417.31537	19.0
435.32922	9.7
525.28839	2.1
665.36084	4.5
683.37848	100.0
688.97540	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	683.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.2
55.05524	2.3
67.05506	12.7
69.03445	13.6
69.07060	4.3
74.46519	2.0
79.05515	2.3
81.03424	17.7
81.07068	14.8
83.04977	2.3
83.08608	3.0
85.02895	19.9
87.00828	8.9
87.66943	1.7
88.15057	2.0
91.05494	3.4
93.07050	12.5
93.18003	2.0
95.05008	2.5
95.08596	23.9
97.02898	11.3
99.04481	4.1
102.09972	1.9
105.01886	2.3
105.07038	14.2
107.08607	21.0
109.02884	17.2
109.06505	2.8
109.10176	27.0
111.04409	2.5
115.03934	2.3
117.07017	2.2
119.08597	25.5
121.06459	2.3
121.10175	16.0
123.04413	2.3
123.08040	2.5
123.11740	4.8
127.03911	27.2
129.05510	2.0
131.08565	12.3
133.06496	2.8
133.10138	17.6
135.07028	1.8
135.08092	3.1
135.11725	4.1
135.87799	1.9
143.08594	10.9
145.04988	3.4
145.10123	28.4
147.11700	15.0
149.09721	2.3
149.13289	2.4
155.08493	2.6
157.10106	15.5
159.02904	3.7
159.08034	4.2
159.11638	14.6
159.70587	1.7
160.17792	1.8
161.09608	3.6
161.13277	10.5
163.07317	1.7
163.14809	1.8
169.10130	3.9
171.11697	11.9
173.09610	15.0
173.13263	14.8
175.11195	8.9
175.14812	8.8
177.12756	2.4
181.10104	2.7
183.11726	7.7
185.13249	10.6
187.11185	7.9
187.14795	30.5
189.09105	2.5
189.16524	2.3
195.11716	3.3
197.13307	8.1
199.11227	2.5
199.14857	9.0
201.12706	3.3
201.16394	2.7
203.14305	2.8
209.13264	4.0
210.14288	2.2
211.14833	8.4
213.04002	2.6
213.12758	9.1
213.16273	4.0
215.14311	38.1
221.13231	2.1
223.14778	2.4
227.14386	3.5
229.15866	2.9
231.05273	2.2
235.14870	3.0
239.17986	3.7
241.16057	2.4
251.18010	7.6
257.15543	2.5
265.19568	2.3
279.20984	3.4
289.19510	2.5
291.21030	3.1
359.27368	3.3
377.28357	3.6
393.27893	2.5
395.29361	2.7
399.30536	8.6
417.31503	37.4
433.30887	3.9
435.32629	39.0
453.33606	2.5
543.34985	2.3
621.37671	2.7
639.38654	3.4
647.35657	10.3
665.36945	30.0
683.37775	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88287	0.3
67.05504	0.5
67.49811	0.3
69.17287	0.4
81.07061	0.5
84.94908	0.4
91.05492	0.6
92.21294	1.6
93.07093	0.5
105.07043	0.6
107.08598	0.5
108.48729	0.4
109.10199	0.4
114.62280	0.4
119.08611	0.5
138.32918	0.4
188.99023	0.4
253.01982	0.4
275.34622	0.4
281.19769	0.4
333.20471	2.2
389.23044	0.8
391.94153	0.4
461.25363	1.6
597.37683	1.5
683.44922	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4488
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05527	2.7
72.80840	0.4
80.40346	0.4
81.07079	3.4
91.05474	0.6
93.07034	1.2
95.08622	2.8
113.27789	0.5
119.08534	0.7
121.10229	0.7
131.08649	0.5
137.05997	2.8
265.46756	0.6
277.17880	0.6
349.19858	21.7
405.22464	6.2
553.27979	1.1
581.27441	1.2
683.30975	6.2
683.44818	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67344	0.4
52.38604	0.4
52.44822	0.4
67.05522	1.1
69.07082	0.8
79.05493	2.2
81.07069	2.1
86.82799	0.5
91.05502	1.0
92.21323	1.7
93.07050	3.0
94.28088	0.5
95.08638	1.1
105.07040	0.8
107.08642	1.7
109.06519	0.6
119.08600	1.9
127.10146	0.4
133.10089	0.7
135.11723	0.5
137.06027	0.4
146.28815	0.4
245.91205	0.5
247.13039	0.9
279.66583	0.5
303.15738	0.9
317.20981	0.7
333.20322	9.0
373.23422	0.5
389.22867	4.7
461.25146	0.5
491.07397	0.5
510.14658	0.6
581.22028	0.5
683.44934	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4487
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65868	0.5
55.05516	0.7
62.47591	0.5
67.05505	3.4
69.07079	2.0
71.08636	0.9
79.05524	1.8
81.07062	3.9
83.08601	0.5
93.07053	1.3
95.08608	2.7
97.10182	0.8
99.08108	0.9
105.07053	0.9
107.08585	1.1
109.10186	0.8
121.10153	0.7
125.09603	0.9
135.11659	0.8
178.70032	0.6
235.10522	0.5
235.81186	0.5
280.02060	0.5
317.20993	3.5
347.18231	1.2
349.19836	0.8
373.23676	1.0
591.46228	0.6
612.46832	0.6
665.42468	0.8
683.44867	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4491
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22117	1.2
55.51241	1.4
57.03411	1.4
58.03920	1.3
58.52341	1.3
67.05479	1.8
75.04462	1.6
81.07060	3.7
93.07065	2.0
95.08634	1.8
109.96917	1.4
119.08617	1.9
119.15015	1.6
147.11670	1.7
173.73015	1.6
248.45621	1.9
249.97029	1.6
276.12512	2.0
291.85281	1.8
312.51563	1.5
333.20511	9.6
361.13248	1.6
389.22989	2.3
471.84332	1.7
499.21664	2.1
517.22455	2.7
527.20831	7.9
587.23120	3.4
619.25684	12.0
651.28113	12.4
683.30536	13.9
683.44818	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4588
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33641	0.9
60.25111	1.1
68.52393	1.1
153.45790	1.1
167.58925	1.0
205.09903	1.0
209.82224	1.0
215.11203	1.6
225.13342	1.3
238.30583	1.4
243.14417	13.0
253.12827	12.3
255.11900	1.4
261.15506	2.4
271.11246	2.6
271.13794	14.5
273.12869	6.3
293.42749	1.0
317.19583	5.0
333.61417	1.0
335.20712	19.7
353.21793	100.0
355.21027	5.6
356.86270	1.1
371.22702	7.3
391.20184	1.2
429.22058	1.3
447.23215	1.3
643.50726	1.2
683.45734	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	684.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.5
55.01878	3.9
56.82450	1.8
69.03434	11.4
81.03432	24.2
85.02909	29.0
87.00825	11.4
97.02911	15.3
99.04443	7.3
105.01877	10.2
107.04946	10.5
109.02869	14.9
117.07014	4.0
127.03899	15.7
142.44496	2.2
145.04918	3.8
145.06485	21.9
159.02898	11.4
159.08105	3.5
167.07042	64.2
173.05977	100.0
175.07585	2.4
187.07593	10.1
190.06285	32.1
193.08737	2.7
203.07047	4.5
205.08580	86.7
213.74182	1.8
217.08589	50.2
219.10178	2.3
235.09671	19.7
247.09653	9.7
248.07784	2.4
265.10703	73.3
279.10291	2.2
307.09555	3.0
308.10318	2.6
315.08670	10.9
323.12793	2.9
330.11050	12.1
369.13354	3.2
371.14975	2.6
383.15036	16.3
401.15912	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	684.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
80.84578	5.9
91.05826	6.3
102.06506	5.5
106.44414	5.6
113.83958	6.6
170.55553	5.9
244.78444	7.1
276.65518	6.9
417.15979	6.6
436.73090	6.8
470.96497	7.5
494.20474	53.7
495.19098	97.7
496.20322	25.6
522.19342	7.9
523.18903	9.9
540.18634	9.9
582.24335	29.9
587.26062	7.2
625.26013	25.4
641.27362	59.0
642.25488	100.0
684.26862	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	684.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	30.1
57.03454	5.9
57.07084	6.0
67.05507	65.6
69.03436	33.1
69.07081	13.9
79.05515	55.7
81.03423	44.8
81.07059	100.0
83.04983	9.2
83.08623	9.1
85.02904	13.7
89.53108	6.0
91.05487	32.3
93.07047	77.6
95.04984	18.9
95.08612	76.9
97.02908	33.1
97.06546	8.4
99.04455	33.9
99.08135	6.6
103.03951	25.8
105.07038	35.8
107.08593	46.4
109.02907	38.1
109.10156	38.3
111.04432	6.5
111.08138	6.8
117.07008	28.0
119.08584	24.8
121.06537	7.5
121.10142	74.1
127.03899	74.8
129.06987	10.1
131.08569	32.3
133.10139	37.1
135.07983	5.5
135.11707	42.8
143.08559	12.9
145.10112	36.5
147.11690	29.5
149.13278	13.2
157.10178	9.0
159.11708	27.9
161.09666	6.8
161.13246	11.5
163.14812	7.9
169.10187	11.8
171.11687	11.5
173.09537	5.6
173.13266	13.7
183.11679	8.5
187.11171	6.6
187.14819	6.9
197.13391	6.1
214.65419	5.8
243.21045	6.4
261.22266	23.0
277.21524	20.5
351.23035	9.9
369.24115	80.9
387.25299	85.0
405.26321	54.3
423.27328	27.3
549.30304	29.8
567.31519	32.5
572.37750	5.9
643.25769	8.5
684.45221	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	684.5401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45516	4.6
51.91124	3.8
55.05516	12.9
58.19893	5.2
67.05499	43.2
69.07072	29.0
71.08613	4.8
79.05502	11.3
80.54129	5.4
81.07061	85.6
83.08629	29.8
85.06508	4.8
91.05495	11.0
93.07031	31.2
94.62354	5.1
94.96313	5.1
95.08590	50.0
97.06512	5.7
97.10191	11.7
99.08106	6.8
104.52002	4.9
107.08595	12.5
109.10168	50.5
111.08121	6.7
111.35499	4.9
119.08559	8.8
121.10130	11.3
123.11723	6.0
125.09684	7.5
149.13255	9.9
172.26801	6.1
227.12729	6.0
229.14342	12.0
253.88292	6.2
269.17444	6.5
337.27124	43.0
491.37241	31.0
495.15082	5.7
531.40424	79.5
613.47711	32.1
631.48877	12.5
684.45251	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.5619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81063	1.3
53.00293	1.1
54.64721	1.2
55.05503	1.8
57.06822	2.0
57.07083	36.7
59.29275	1.3
67.05511	2.0
69.07069	3.7
71.08638	39.3
73.04749	1.5
73.06555	6.7
75.02718	1.5
79.28162	1.5
81.07043	1.9
83.08643	6.7
85.10184	24.1
87.04470	8.0
87.79256	1.8
89.06035	100.0
89.69129	1.4
91.05803	7.7
91.50947	1.6
92.20547	1.4
97.10164	7.2
117.09121	3.5
133.08595	27.5
177.11272	11.3
221.13892	6.0
253.28838	2.3
269.76501	1.8
279.59882	1.6
283.17441	2.3
341.34073	7.9
385.36795	7.1
415.25455	7.5
623.50140	2.3
667.53516	51.8
684.20367	2.5
684.56458	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	685.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76590	0.5
108.08952	0.7
114.76271	0.6
115.51613	0.6
146.39041	0.7
205.20517	0.6
292.09772	0.9
321.09827	1.0
334.07214	0.6
336.12384	3.3
475.13281	0.7
484.17813	1.0
567.15259	0.7
581.15704	0.9
583.15021	1.3
595.14911	1.4
596.15588	1.0
597.16528	4.0
608.15875	0.9
609.16388	3.9
610.17505	1.2
611.15076	3.9
612.15393	2.8
625.15985	5.3
626.16998	6.5
627.17657	10.0
637.16058	1.0
639.15851	1.3
641.19220	31.3
653.18347	3.3
654.18365	1.4
655.17206	7.1
656.21167	3.6
669.18616	12.0
685.21808	100.0
685.38788	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	685.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65271	2.1
73.82331	1.9
83.17063	2.2
146.15617	2.1
227.11800	2.4
239.15715	2.2
240.18793	2.0
266.14157	4.1
311.08060	2.5
349.11795	2.5
449.19583	3.2
489.18646	2.4
491.20590	46.4
501.23291	3.2
502.23309	4.5
503.20758	4.5
504.20297	2.6
505.22220	2.9
517.22601	3.3
518.23242	4.9
533.21375	2.4
535.23218	4.5
549.24005	4.2
550.25800	4.5
563.22736	2.7
565.28125	2.8
578.24744	11.3
593.26935	13.8
609.26825	7.9
637.26624	3.7
652.28888	100.0
652.39685	3.6
653.25488	11.1
667.27985	3.8
668.28662	18.9
685.28668	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	685.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40247	0.8
65.93698	0.9
72.03735	0.9
76.96071	1.2
123.15878	1.1
183.58800	1.1
409.21222	1.1
423.21967	1.8
425.20023	2.4
438.20416	2.0
439.21326	2.1
462.20535	1.3
465.19055	1.8
466.20297	1.3
468.25177	1.7
471.21527	1.3
483.20380	1.7
497.22525	1.5
499.23325	1.3
513.24860	2.2
521.91766	1.1
527.26569	15.4
535.23926	1.7
552.23444	1.7
555.22516	10.6
583.25378	1.8
599.29657	1.4
609.27417	2.1
643.27655	19.7
653.26270	2.1
685.28717	100.0
685.45929	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	685.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01431	0.9
59.13809	0.9
68.01537	0.8
77.73656	0.9
83.46604	0.9
92.21532	1.1
186.70345	0.9
191.12775	0.8
237.13927	1.2
287.51321	1.1
400.16769	1.2
451.21445	1.1
461.19427	1.4
475.21225	3.7
479.20752	1.2
489.18109	7.1
491.20917	5.1
493.22406	1.2
494.23013	2.0
498.20520	1.7
499.21310	1.5
502.19498	1.3
503.20218	1.0
505.22433	2.3
507.23486	1.2
515.20599	2.3
516.22009	3.3
517.22650	10.6
519.20392	3.9
521.21790	2.2
528.21527	4.2
531.19543	1.3
533.21552	5.6
535.23792	1.4
549.21375	2.0
551.22803	3.6
562.21838	1.0
621.23016	1.8
635.24750	4.0
653.26080	100.0
685.28766	14.2
685.45551	19.2
688.40344	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	685.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
97.88187	2.1
141.50435	1.8
213.90820	1.9
278.35464	2.3
339.09586	8.0
398.18823	2.4
427.33884	2.1
428.19727	8.5
460.18839	3.0
475.21320	12.3
487.18060	2.4
499.21378	2.5
503.20807	12.7
507.24213	4.3
516.21399	2.5
517.22504	7.9
529.18323	2.8
534.22357	2.4
535.23199	2.8
549.24457	2.9
551.22919	2.3
566.25287	34.0
577.24774	18.3
591.25751	3.3
609.27130	77.7
653.26105	100.0
685.28534	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	685.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25793	2.3
54.14181	1.7
55.05517	2.9
56.22295	2.1
60.12854	1.8
67.05518	22.7
69.03435	19.7
69.07087	19.5
79.05482	5.7
81.03417	11.4
81.07066	29.5
83.04974	2.8
83.08630	4.2
85.02899	21.9
87.00809	12.5
91.05456	4.8
93.07029	23.4
95.08598	49.4
97.02905	29.1
99.04436	4.8
103.04001	2.3
105.01860	3.9
105.07044	21.1
107.08608	33.6
109.02858	4.8
109.10153	49.9
117.07010	4.1
119.08585	33.3
121.10162	21.1
123.04442	2.4
123.11744	3.4
127.03867	18.0
131.08569	10.4
133.10141	21.3
135.11658	5.4
143.08591	5.1
145.10138	26.6
147.11670	16.4
149.13228	5.0
157.10100	16.4
159.11682	13.7
161.13251	12.7
163.14845	2.9
169.10135	17.9
171.11659	21.9
173.13229	13.5
175.14818	5.7
183.11630	16.2
185.13258	18.0
187.14819	13.6
189.16347	2.7
195.11696	10.5
195.35620	2.6
196.12495	3.6
197.13260	14.6
199.14807	10.6
207.11708	4.9
209.13232	11.9
211.14828	13.7
213.16417	4.3
221.13287	4.8
223.14854	11.4
225.16344	10.9
227.17851	4.4
235.14879	12.4
237.16438	10.0
239.17833	5.4
247.14896	3.1
248.15535	2.6
249.16205	5.7
251.17891	15.1
253.19534	15.1
263.17871	4.9
265.19431	19.8
267.21039	3.2
275.17905	3.2
277.19440	9.3
279.20950	3.5
290.20279	2.5
291.21078	20.5
292.21786	11.6
293.22736	4.4
301.19385	2.7
317.22662	2.4
333.25803	2.5
340.33456	2.9
345.25702	5.4
401.32034	62.7
419.33072	100.0
437.33899	16.4
541.80566	2.8
667.38312	33.9
685.29016	3.6
685.39441	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	685.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15344	1.6
55.01881	2.3
55.05516	3.2
57.03439	1.8
57.32815	1.5
64.17352	1.5
66.57313	1.6
67.05506	14.6
69.03432	19.4
69.07078	13.2
73.02922	1.6
79.05507	3.5
81.03406	15.3
81.07060	17.8
83.05001	3.5
83.08632	2.5
85.02916	29.7
85.07712	1.5
87.00843	9.0
91.05508	3.5
93.07072	14.0
95.08609	37.2
97.02919	9.4
99.04461	6.2
105.01892	7.3
105.07048	14.6
107.08592	22.2
109.02882	19.1
109.10157	52.1
117.07049	2.1
119.08589	24.5
121.10159	17.1
123.11742	6.9
124.49452	1.8
127.03919	26.0
131.08604	9.8
133.10138	14.5
135.11723	8.3
143.08600	4.2
145.04948	3.9
145.10129	19.4
147.11659	14.0
149.13264	4.0
157.10146	18.0
159.02917	7.3
159.11719	16.1
161.13237	14.0
163.11131	2.4
163.14975	1.8
169.10130	8.8
171.11700	15.4
173.13246	16.7
175.14764	12.0
183.11726	9.4
185.13321	11.3
187.14825	14.9
189.16403	2.2
193.10107	2.3
195.11740	8.3
197.13239	14.3
199.14890	7.9
201.16461	3.9
207.11694	2.4
209.13206	11.8
210.14156	2.0
211.14883	9.6
213.16423	9.2
214.54076	1.7
215.17882	2.0
217.15862	3.4
221.13333	6.9
223.14783	8.6
224.15434	2.0
225.16434	10.9
227.17969	3.5
235.14821	2.8
236.15659	2.0
237.16348	15.1
239.18056	7.6
241.19466	3.7
242.46439	1.7
243.17435	1.7
249.16458	3.9
251.17973	9.2
253.19591	11.3
263.18057	3.9
265.19598	9.7
265.34512	2.2
267.21045	2.4
271.20694	2.2
275.17929	3.1
277.19702	6.2
279.21207	4.0
291.21201	7.4
292.21893	2.1
293.22592	2.4
305.22546	2.3
319.24557	3.0
345.26086	2.4
359.27414	2.0
363.26691	2.4
401.32040	34.5
419.33081	89.0
437.34067	24.0
649.38306	2.3
667.38300	31.4
685.39355	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	2.9
55.01865	1.7
55.05524	2.6
57.69177	1.1
67.05511	16.4
69.03436	15.0
69.07076	11.4
70.06580	1.7
71.01379	1.2
71.05006	1.4
71.67974	1.1
72.08188	1.8
73.02911	1.9
74.06118	1.1
79.05492	3.2
81.03414	11.1
81.07053	22.4
83.04988	2.8
83.08633	3.0
84.08142	1.9
85.02905	22.4
87.00838	9.0
87.64532	1.1
91.05474	5.3
92.21516	2.8
93.07042	12.0
94.32241	1.3
95.08605	34.6
97.02896	9.3
97.06556	1.7
97.10202	1.9
99.04470	8.1
105.01894	8.6
105.07021	15.1
107.08599	21.6
109.02863	18.6
109.06637	1.5
109.10161	50.1
117.07005	2.1
119.08581	27.3
121.10154	18.1
123.11687	5.6
125.09629	1.8
127.03931	23.0
129.01894	2.4
129.07027	2.7
131.08589	8.9
133.10133	19.3
135.11696	9.1
143.08553	9.5
145.04948	6.5
145.10120	17.7
147.11703	15.1
149.13281	8.4
155.08685	2.6
157.10104	14.8
158.10986	2.2
159.02940	5.9
159.11671	15.2
161.09737	1.9
161.13231	12.4
163.11212	2.0
169.10138	8.8
171.11687	15.8
173.13264	12.0
175.14833	7.7
183.11743	8.6
185.13272	12.8
187.14803	13.3
189.16422	5.8
195.11700	6.4
197.13327	6.5
199.14816	10.4
201.16476	7.3
203.17923	1.9
207.11713	2.5
209.13319	7.9
211.14864	7.3
213.16400	11.3
215.17986	2.2
217.15800	9.5
220.12581	1.5
221.13347	2.6
223.14920	6.8
225.16449	9.7
227.18053	7.5
229.19644	1.9
231.05048	2.0
235.14931	2.2
237.16348	10.9
239.18060	8.5
241.19495	5.8
247.14914	1.6
249.16455	2.2
251.17978	10.2
253.19484	11.2
263.17911	5.2
265.19632	5.8
267.21082	3.1
269.22736	1.7
275.17810	1.7
277.19550	5.6
279.21149	6.4
289.19690	2.0
291.21298	5.9
293.22791	5.8
305.22537	1.5
309.22256	1.8
311.23627	1.5
317.22476	1.9
319.24225	1.7
333.25699	2.0
337.25296	2.1
345.25818	2.8
361.28931	1.6
363.26880	1.9
401.31952	35.7
401.36472	2.0
419.33072	100.0
435.68759	1.7
437.34167	26.1
603.52502	1.7
608.99213	1.4
649.37262	2.8
667.38354	32.4
685.39441	98.4
685.62427	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	685.394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.4
54.64973	2.9
55.05523	3.0
67.05492	18.3
67.48702	2.1
67.67024	2.4
68.34254	2.4
69.03426	17.7
69.07067	11.0
71.04971	2.9
79.05491	4.9
81.03426	20.8
81.07072	22.9
83.04963	3.1
83.08591	3.3
85.02905	27.7
87.00832	6.1
93.07043	13.5
95.04986	3.8
95.08603	35.0
96.08122	5.0
97.02893	13.2
99.04420	6.2
105.01854	4.7
105.07039	14.7
107.08623	25.5
108.44786	2.4
109.02882	20.6
109.06525	3.0
109.10159	52.3
113.10774	3.3
114.09163	67.1
117.07053	3.9
119.08562	27.2
121.10155	18.6
123.11697	5.7
127.03912	26.3
131.08543	6.1
132.10143	4.4
133.10123	22.8
135.08095	3.1
135.11687	6.3
143.08546	5.4
145.10126	22.7
147.11713	19.6
149.13232	4.8
157.10098	18.5
159.02882	4.6
159.11705	16.3
161.13248	15.9
169.10150	6.5
171.11694	14.5
173.13235	15.1
175.03918	3.3
175.14803	4.0
181.10124	3.3
183.11697	6.5
185.13255	6.4
187.14767	14.6
195.11711	6.2
197.13333	6.4
199.14798	11.2
201.16367	5.9
207.06583	3.8
209.13202	4.2
209.16496	20.8
211.14854	9.5
213.16248	9.2
215.17914	4.7
217.15862	11.0
223.14774	5.4
225.16417	5.1
227.17740	12.7
228.15993	20.7
237.16380	4.1
239.17912	8.9
241.19466	3.4
251.18039	10.9
252.18651	3.3
253.19415	5.1
263.17886	3.9
265.19550	5.8
267.21109	3.5
322.24942	4.2
378.61282	2.6
398.39322	3.3
401.31992	26.8
419.33041	89.4
437.34293	25.3
661.32959	2.9
667.38269	30.9
685.38922	100.0
685.51190	47.3
685.84546	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	685.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97435	1.8
53.03963	2.9
55.01875	1.9
55.05512	4.9
57.03446	2.9
62.28757	2.2
67.05516	22.6
69.03441	24.1
69.07078	18.2
71.05012	3.9
73.02914	2.2
79.05486	8.7
81.03448	16.3
81.07072	29.6
83.08585	2.5
85.02916	31.3
87.00822	14.2
91.05451	7.7
93.07046	21.7
95.08616	55.1
95.50156	2.2
95.50797	2.4
97.02899	9.8
99.04442	9.3
105.01884	4.8
105.07030	20.5
107.08589	32.6
109.02894	21.0
109.10160	43.2
117.98781	2.2
119.08583	48.9
120.07813	2.0
121.10128	21.5
123.11706	4.5
127.03922	34.5
129.01843	3.3
131.08546	8.9
132.40028	2.3
133.10135	29.2
135.11713	4.6
137.09537	2.5
143.08588	9.5
145.04971	9.3
145.10158	31.1
147.11684	16.9
149.13271	4.7
155.08604	4.1
157.10120	15.4
159.02922	10.5
159.11649	28.4
161.13261	13.2
169.10130	14.1
171.11699	26.2
173.13275	15.2
175.14825	5.6
177.72647	2.2
178.34715	2.0
178.98909	2.1
181.10098	2.1
183.11713	19.0
185.13292	17.2
187.14778	9.0
189.16301	3.1
195.11742	15.6
197.13293	12.1
199.14832	9.1
201.16307	4.6
209.13258	14.1
211.14798	11.5
213.16367	5.0
221.13339	8.9
223.14876	10.6
225.16400	14.9
227.17995	4.1
235.14781	5.1
237.16447	18.9
239.17978	8.8
249.16408	5.4
251.17818	12.7
252.18770	3.3
253.19519	17.4
261.16913	2.4
265.19443	19.5
267.21082	4.4
277.19415	11.5
279.20996	5.3
289.19232	2.9
291.21094	25.8
292.21783	15.2
293.22559	5.2
372.37244	2.4
401.32068	64.6
419.33081	97.5
437.34073	9.5
649.37085	4.0
653.27435	2.4
667.38495	48.5
685.39539	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42455	2.7
51.76793	2.6
59.47467	2.6
67.05502	3.9
85.81792	2.8
136.22266	3.5
164.15332	2.9
215.94432	3.9
284.33075	35.7
323.10339	3.2
340.36966	3.8
349.19794	32.2
399.79102	3.8
492.24924	3.2
520.89215	3.1
685.46454	100.0
698.96564	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	686.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	12.6
57.07095	4.4
67.05506	25.5
69.03425	2.2
69.07076	30.0
70.06586	3.4
71.05006	2.7
71.08649	3.5
79.05491	5.1
81.03407	3.3
81.07065	78.3
83.08620	22.9
85.02908	21.2
85.06561	3.4
91.05486	3.1
93.07048	29.4
95.08605	91.8
97.02847	3.4
97.10172	10.0
99.08102	2.7
105.07029	16.7
107.08591	38.0
109.02890	4.6
109.10157	83.3
111.11717	9.3
112.19315	2.5
113.09634	2.9
114.09177	9.1
119.08617	12.1
121.10162	34.9
123.11707	49.9
125.09646	4.0
127.03937	5.6
129.10233	3.6
133.10170	16.9
135.11687	39.8
137.06134	3.0
137.13237	12.4
139.11212	9.4
140.06998	2.4
141.68660	2.4
145.10138	3.0
147.11700	17.7
149.13246	48.8
151.14862	2.8
153.12756	4.1
161.13249	13.1
163.14876	20.6
165.12775	3.4
165.16490	3.8
168.10187	14.4
173.27444	3.1
175.14772	5.3
177.16388	10.5
189.16360	13.2
191.18001	13.2
203.17906	8.8
205.19527	3.9
208.09685	5.6
215.78918	2.5
217.19437	10.9
222.11267	3.5
261.25598	3.4
273.25751	33.9
279.26691	3.6
290.10254	4.9
291.26810	100.0
297.28036	3.5
309.27869	44.4
437.68430	2.5
446.64951	2.8
453.32614	11.6
471.33105	10.8
489.34573	3.1
529.21765	31.0
605.33661	3.0
686.19122	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	686.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05286	1.3
55.05522	2.9
57.03439	2.7
57.06825	2.1
57.07081	41.0
61.02939	14.2
63.16802	1.1
66.56674	1.3
66.82541	1.1
67.05504	10.0
69.07058	8.4
71.08630	44.0
73.02914	4.7
75.04488	1.7
76.71375	1.1
81.07060	19.9
83.08608	15.3
85.02904	19.9
85.10184	32.1
85.10672	2.3
91.03962	20.3
95.08607	36.4
97.02874	10.5
97.10154	13.8
99.11739	2.0
109.10163	20.6
111.11714	7.6
113.62461	1.3
121.96209	1.3
123.11710	8.9
127.03884	5.9
137.13284	2.5
145.04933	5.3
163.06017	10.0
168.15007	1.3
222.61551	1.3
235.24181	1.5
242.24651	2.4
253.25356	9.0
271.26260	5.0
290.26865	6.4
327.28925	66.2
345.29971	100.0
376.59769	1.7
540.52887	1.5
554.49500	1.5
600.97961	1.4
654.26392	13.5
686.29346	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	686.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42107	1.3
55.05520	6.0
57.03445	10.5
59.05008	2.1
59.72800	1.2
61.02930	2.5
67.05511	81.5
69.07064	9.5
71.05000	3.1
71.08688	1.5
79.05497	16.9
81.07062	37.1
83.08634	9.2
84.86436	1.5
85.02922	2.3
85.06528	2.6
91.05453	11.5
93.07051	26.6
95.04971	1.5
95.08614	29.0
97.02794	1.3
97.10174	2.1
105.07034	5.9
107.08617	19.5
109.10162	100.0
111.08111	3.3
119.08559	11.7
120.73951	1.4
121.10120	16.4
123.11724	6.2
131.08562	3.1
133.10120	8.1
135.11658	11.3
137.09602	2.0
145.10066	2.7
147.11751	3.1
149.13284	5.4
155.10707	7.6
161.13257	1.9
163.14806	1.7
173.11725	22.3
173.13179	4.7
181.43102	1.5
183.03044	1.4
221.23166	1.9
227.12688	3.1
229.14342	73.1
243.21202	2.6
261.22052	13.8
292.61530	1.6
335.25806	57.1
489.35724	71.6
507.36853	9.7
568.51923	1.8
654.26660	2.2
686.29071	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	686.544
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71036	1.8
70.01440	1.5
89.38017	1.8
89.70732	1.7
187.20789	2.0
322.26285	2.2
405.27240	58.5
457.37744	23.0
499.42166	4.2
686.45520	25.4
686.55780	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92107	0.5
58.54255	0.6
62.07532	0.6
68.22124	0.7
139.42004	0.7
474.20578	4.8
491.19724	1.5
492.16635	2.8
493.16751	1.1
505.16800	3.0
506.23206	0.9
507.18869	3.2
517.22546	2.9
519.17902	2.8
520.19391	2.6
521.16406	0.9
523.17798	1.1
531.19305	1.2
533.20135	4.2
535.23444	1.3
543.23804	1.7
549.19464	1.6
550.20380	4.4
551.20978	4.6
552.22052	1.1
553.24927	2.5
563.21521	1.6
565.19220	4.0
567.21082	1.2
579.20538	1.4
580.22058	1.0
583.23853	5.3
591.20654	4.0
593.22070	1.0
609.21527	3.1
611.23297	1.3
639.23169	3.6
655.26868	1.0
669.23846	19.5
677.62292	0.8
687.24957	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	687.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30039	0.4
66.48096	0.5
69.07064	0.8
81.07052	0.8
93.07077	0.7
94.87801	0.5
95.08608	0.8
107.08565	0.9
107.30605	0.6
109.02913	0.7
109.10139	1.0
121.10125	2.0
123.11674	0.9
127.03899	0.6
130.98126	0.5
133.10222	0.7
144.67445	0.5
251.08252	2.0
409.34058	0.6
417.72067	0.7
421.34796	0.9
437.18311	0.5
438.18903	2.3
463.15891	0.7
464.16653	1.2
465.17181	0.9
466.22147	0.7
474.20502	3.3
477.17877	1.2
489.18713	1.0
491.20432	4.5
492.15851	4.9
493.17090	3.5
503.20151	0.7
504.15662	0.6
505.16885	5.7
506.17374	0.9
507.19202	3.1
509.16431	2.8
519.17987	3.7
520.19434	7.7
521.18903	1.1
523.18237	1.1
525.18933	0.5
531.19098	1.0
533.20227	5.8
535.19690	2.5
539.21008	1.0
543.23785	2.5
549.19476	2.5
550.20593	2.4
551.20648	4.7
552.22015	4.2
561.24884	1.8
563.21429	2.1
565.23389	8.4
567.20551	2.0
579.20337	5.6
580.20905	1.2
581.21722	0.8
583.23700	8.4
591.20648	4.8
593.22034	2.9
596.20984	2.2
609.21436	2.7
611.23273	2.9
637.22687	10.4
639.22687	8.2
651.23273	0.6
652.24097	0.7
655.24524	1.0
669.23798	15.3
687.24780	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	687.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
60.38952	1.1
76.72204	1.2
122.64262	1.6
126.50040	1.1
152.62314	1.2
290.36804	1.2
407.18610	1.6
422.21021	5.9
423.21851	12.0
439.17581	9.6
451.21243	12.6
453.19748	2.2
454.20197	6.8
465.15912	1.2
467.20764	72.9
468.21518	35.1
477.19250	9.0
480.21381	1.5
481.22321	8.9
491.20795	1.9
494.19608	5.0
495.20151	20.5
509.21945	4.6
525.21149	10.0
526.22284	5.0
527.23090	2.8
536.20355	2.6
537.21155	4.5
553.21051	1.4
555.22156	8.8
569.23743	1.4
595.21722	1.6
613.22919	3.9
637.24213	2.6
655.24298	14.3
687.26556	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31586	0.8
70.91028	1.0
73.02296	1.1
78.29186	1.1
82.60370	1.0
112.89191	1.0
117.56481	0.9
255.14330	1.0
299.14008	1.2
421.20154	1.7
435.22168	1.4
448.18967	1.2
463.21054	5.4
464.18979	1.1
465.18881	1.6
467.20697	1.3
477.23599	1.5
478.20135	5.5
479.20773	15.2
481.22397	4.0
489.23044	29.7
491.20712	6.2
495.23950	1.9
507.20078	10.6
508.21027	1.5
512.17096	1.2
522.22339	2.2
526.19501	2.5
535.19604	4.9
540.21533	1.4
541.02673	1.2
549.21582	1.8
550.21912	17.2
558.24567	1.2
567.25403	1.2
581.24548	1.2
627.25458	1.2
628.26270	25.3
636.26227	1.2
637.22919	100.0
655.27625	1.4
669.26129	7.6
687.29199	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	687.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91881	0.4
81.07073	0.4
83.83828	0.4
92.20881	0.7
119.74066	0.4
166.30432	0.4
225.10233	0.5
238.14697	0.5
250.07013	0.8
267.11212	0.5
315.17242	0.5
358.19403	0.6
383.18552	0.5
400.16763	0.6
420.18909	0.5
421.20074	0.9
433.20157	0.7
434.21118	0.6
437.19769	1.0
438.20535	0.7
444.19446	1.7
448.18076	0.5
451.21066	0.9
452.21466	0.5
461.19968	0.6
462.20551	0.5
463.21991	0.8
465.18970	0.9
467.21228	0.6
475.21912	0.9
477.18915	1.0
478.20187	2.8
479.20926	5.4
489.23450	6.0
491.21042	3.2
492.21799	1.7
493.22473	1.7
495.20395	2.4
503.20822	0.9
507.20264	3.1
509.21643	0.7
510.22604	2.3
511.23315	2.0
520.20966	1.9
521.22089	1.8
522.22321	0.7
523.19678	0.5
535.19592	1.0
536.20441	0.5
538.22168	2.6
539.23138	1.8
549.21045	1.0
550.22058	4.6
551.22180	0.9
553.23865	0.7
555.22632	1.0
563.22363	0.9
566.21576	0.7
567.22290	0.7
576.19849	0.6
577.20874	2.1
579.18970	2.8
581.24335	0.8
591.21722	0.8
594.21381	0.7
595.21875	1.8
609.23505	3.6
613.26636	0.5
621.19623	0.7
625.26263	1.1
637.22882	6.0
639.21240	3.2
651.24536	2.5
654.24084	0.6
655.23993	4.6
669.25562	100.0
687.26746	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	687.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
61.68253	0.8
67.05524	1.0
96.37931	0.8
96.56260	0.9
201.56740	0.9
229.19647	0.9
287.05539	5.3
329.09695	2.0
342.84604	1.0
422.21274	1.8
423.21741	1.3
435.21893	1.6
439.17429	1.1
451.21484	1.8
454.20151	1.6
463.21088	1.3
467.20959	21.1
468.21426	9.4
469.20944	1.3
475.21365	1.9
477.19241	4.7
481.22443	10.5
483.24219	1.3
488.22440	1.1
491.20691	2.0
493.18625	1.4
499.23395	5.0
509.21548	1.8
513.19598	7.3
515.20831	1.3
523.23755	1.9
525.21387	2.0
527.21204	7.4
528.22113	1.9
531.20667	1.1
533.21997	1.6
535.20038	1.9
537.21881	1.4
540.22888	1.0
549.21741	1.1
550.21930	1.7
551.21344	4.2
555.22052	2.0
559.20050	1.5
560.20624	3.3
563.08728	1.3
571.19946	3.3
577.20911	1.8
585.21637	8.2
599.23224	1.9
600.24310	7.4
619.22479	1.1
637.22784	4.3
650.71808	1.0
651.24451	1.3
655.23114	7.5
669.25586	16.4
687.26080	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43759	0.7
55.96140	0.7
83.38404	0.8
84.61890	0.6
109.10154	0.9
153.55618	0.7
192.47011	0.9
389.82446	0.8
425.22778	0.9
435.22711	1.0
439.21387	1.5
451.58591	0.9
455.24521	3.6
467.20746	1.5
468.25684	1.2
469.26175	5.7
470.26971	1.0
479.20813	1.5
497.25815	0.9
499.22931	7.2
500.24289	1.1
505.22260	8.1
513.24988	12.5
523.26123	0.8
525.24457	5.8
527.26556	1.4
537.25153	3.5
539.23633	3.3
540.23645	1.4
550.22504	1.0
551.26483	9.6
553.24994	1.1
554.25427	4.3
555.29944	3.7
563.23145	0.9
565.24756	1.0
567.23547	1.0
569.27856	12.6
571.25665	1.3
581.23743	1.0
583.28992	6.5
585.27502	3.9
595.25372	1.7
599.28851	1.7
600.29688	3.4
609.26953	3.2
613.26544	14.7
627.28552	3.5
628.28088	1.0
637.23969	1.2
642.59528	1.0
655.27478	7.1
669.25781	10.6
687.30280	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01500	2.2
55.05516	3.0
57.03438	3.6
57.90897	2.1
66.57842	2.6
67.05499	5.4
69.03426	6.4
69.07062	6.3
69.59175	2.8
71.04987	4.8
72.17146	2.4
81.03441	12.3
81.07072	13.7
83.08620	4.1
85.02911	23.2
85.93025	2.5
86.62657	2.5
87.00822	4.4
91.05467	2.8
93.07053	4.1
95.08610	20.3
95.70396	2.6
97.02890	14.9
99.04429	3.3
105.01893	5.3
105.07039	15.7
107.08604	13.2
109.02869	16.4
109.10189	20.2
119.08570	17.5
121.10163	9.9
123.11702	5.4
127.03906	29.0
127.11181	6.1
131.08588	4.2
133.10115	5.9
135.11673	6.3
143.08563	5.0
145.05052	4.1
145.10139	14.8
147.11690	6.1
149.13242	4.9
157.10196	5.2
159.02863	9.6
159.11729	13.9
161.13277	6.6
166.81393	2.5
169.10031	5.3
171.11665	6.3
173.13223	14.1
174.59277	2.6
183.11736	3.3
185.13261	4.1
187.14854	5.4
197.13251	6.5
199.08409	2.6
199.14847	5.1
202.21793	2.6
211.14827	4.2
227.17902	3.3
228.26443	2.9
230.99020	2.8
237.16310	4.7
239.17970	5.6
251.17987	3.5
253.19646	6.1
319.11136	3.0
403.33725	31.7
421.34683	46.8
439.35858	4.4
643.60718	3.7
669.39685	42.7
687.40784	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42804	0.4
53.05972	0.3
57.75023	0.4
62.78149	0.4
77.46976	0.4
79.14824	0.4
131.71632	0.4
182.34387	0.4
195.13625	0.5
279.34680	0.5
320.09189	1.7
321.09283	0.7
487.95676	0.5
495.35388	0.5
687.40802	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34311	2.2
51.52747	1.8
55.05509	2.9
57.28631	2.1
57.87531	2.3
58.39290	1.9
67.05513	3.8
69.03419	9.8
69.07067	9.8
70.35574	2.0
71.04994	13.7
81.03434	4.4
81.07069	15.2
83.08655	3.3
85.02892	18.6
87.00820	5.1
93.07045	13.3
95.08615	18.7
97.02909	4.3
99.04429	2.4
105.01874	5.2
105.07042	12.3
107.08614	17.5
109.02879	12.2
109.10166	31.5
112.39043	2.1
119.08579	16.2
121.10153	18.5
123.04974	2.3
123.11713	10.2
127.03926	18.6
127.11189	27.6
131.08545	20.6
133.10136	15.4
135.11684	16.0
137.13222	4.6
145.04994	2.7
145.10135	17.2
147.11694	14.0
149.13261	5.1
157.10118	5.2
159.02870	2.5
159.11682	19.8
161.13272	10.4
163.14807	3.0
169.10178	5.2
171.11697	14.4
173.13245	23.9
174.13467	2.4
175.14810	14.9
177.16336	3.2
183.11642	5.9
184.66872	2.5
185.13280	29.2
187.14807	18.2
189.16386	5.7
197.13226	8.8
199.14813	8.8
201.16396	10.3
203.18062	3.5
211.14781	4.4
213.16473	3.7
215.18040	2.8
223.14615	2.6
225.16437	5.1
227.17957	4.7
239.17989	5.2
253.19450	4.8
335.27524	2.8
400.82657	2.6
403.33667	9.8
421.34668	100.0
439.35721	25.6
485.68643	2.9
651.38556	9.4
669.40210	21.2
687.25537	3.0
687.40771	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	687.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34058	2.8
53.86788	2.5
54.68744	2.8
67.05505	20.4
69.03427	18.7
69.07058	16.8
79.05507	6.4
79.65737	3.1
81.03419	8.3
81.07058	36.1
83.08650	5.4
84.44871	3.0
85.02904	22.7
87.00826	5.5
93.07043	21.3
95.08617	43.2
97.02888	13.8
97.10197	3.2
104.70258	3.7
104.70993	3.9
105.07045	26.9
107.08601	30.7
109.02884	14.9
109.10168	74.9
117.07024	4.5
119.08585	33.7
121.10177	33.4
123.11665	7.4
127.03909	18.1
131.08580	15.4
133.10133	22.5
135.11693	7.5
143.08566	5.9
145.10117	46.1
147.11674	16.6
149.13269	6.2
157.10144	15.6
159.02856	4.2
159.11667	33.6
161.13254	27.0
163.14851	7.1
169.10124	4.1
170.16255	3.6
171.11681	16.0
173.13258	22.4
175.14854	32.2
183.11761	4.4
185.13255	15.5
187.14812	17.4
189.16277	5.6
197.13347	4.5
199.14919	5.2
201.16383	61.8
202.98148	3.6
203.17813	4.2
211.14848	4.6
213.16464	5.5
215.17871	8.2
227.17891	7.1
231.04884	4.2
251.18083	5.3
253.19598	4.2
266.41873	3.7
267.21066	3.8
274.75815	3.4
293.22757	3.5
295.24323	3.6
403.33575	51.3
421.34708	54.9
547.36670	4.3
551.21552	6.0
582.49481	3.5
583.23517	5.0
639.62079	3.8
655.23718	4.2
669.23029	6.2
669.39502	20.0
687.24890	100.0
687.40991	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	687.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80301	1.4
53.03954	2.2
55.05522	3.2
57.07082	1.8
67.05505	14.3
69.03426	11.1
69.07081	4.1
71.04980	5.8
72.57813	1.7
79.05489	2.8
81.03426	3.9
81.07066	14.8
83.08627	3.5
85.02902	16.4
87.00829	2.3
91.05479	3.6
93.07036	11.9
95.08608	29.6
97.02884	7.8
99.04466	3.7
99.08089	1.9
99.78049	1.5
103.15332	1.7
105.01888	7.0
105.07047	10.0
107.08593	19.7
108.80867	1.6
109.02882	9.7
109.10176	44.7
117.07021	3.3
119.08569	19.3
121.10145	21.7
123.11710	8.2
127.03957	17.3
127.11189	28.9
131.08592	7.0
133.10146	14.3
135.11667	10.8
137.13268	3.8
141.52951	1.7
143.08594	7.8
145.09157	2.1
145.10120	19.1
147.11691	11.6
149.13266	3.5
155.08577	3.5
157.10120	8.2
159.02887	3.1
159.11720	16.2
161.13297	12.1
163.14777	1.8
167.51204	1.8
169.10168	2.4
171.11679	10.5
173.13237	17.5
175.14835	9.3
183.11691	8.0
185.13264	12.8
187.14745	12.9
189.16414	3.9
189.43463	1.7
195.11774	1.9
197.13293	10.2
199.14813	7.2
201.16371	13.9
203.18037	3.2
209.13260	1.8
211.14896	3.1
213.16426	7.2
215.17960	2.7
220.33212	1.8
225.16354	9.6
227.17935	10.3
239.17931	9.3
241.19435	1.9
243.21162	1.9
245.19048	2.0
253.19447	11.5
255.21115	2.6
267.21002	2.2
295.24408	2.9
403.33582	12.6
421.34656	100.0
439.35635	22.8
500.31158	2.2
529.37085	2.6
624.43066	1.6
633.37756	1.7
651.38684	2.8
669.40021	20.0
687.41467	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	687.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59909	1.6
54.75911	1.6
55.05522	2.0
57.03421	2.0
57.07074	1.9
67.05510	8.1
69.03424	13.5
69.07071	9.0
70.72397	2.0
71.05010	15.4
72.22724	1.9
79.05470	2.3
81.03425	8.9
81.07056	11.9
83.08609	3.0
85.02914	22.4
87.00847	4.8
93.07014	9.5
94.16155	1.8
95.08602	25.1
97.02891	7.7
99.04459	2.4
99.08080	2.2
105.01908	7.5
105.07056	7.8
107.08584	11.0
109.02879	14.2
109.10153	38.9
119.08548	16.2
121.10158	16.2
123.11704	10.3
127.03900	19.0
127.11173	28.8
131.08542	7.8
131.14149	2.0
132.02597	2.2
133.10158	14.5
135.11693	10.6
137.13264	2.6
140.75043	1.8
141.12749	2.3
143.08583	4.8
145.04889	2.3
145.10121	13.0
147.11697	10.1
149.13261	8.7
157.10124	4.7
159.02901	3.2
159.11641	10.6
161.13274	9.6
163.14824	4.3
169.10130	4.2
171.11679	11.2
173.13271	9.2
175.14821	4.6
183.11705	4.1
185.13257	23.0
187.14828	15.8
189.16415	3.0
197.13263	3.6
199.14789	13.1
201.16360	10.0
211.14850	7.9
213.16338	2.4
225.16232	3.4
227.17949	8.9
235.23003	2.0
239.17914	3.0
253.19553	8.4
403.33347	3.2
421.28979	4.5
421.34641	100.0
439.35773	25.5
473.41110	2.1
494.75473	2.1
651.38550	8.9
669.40320	18.2
687.41125	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	687.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67645	1.5
53.03947	2.0
55.01900	2.0
55.05513	3.2
57.07064	1.4
66.45087	1.6
67.05514	22.8
67.81685	1.5
69.03437	11.2
69.07060	9.0
70.06590	1.7
71.00428	1.4
71.04992	8.2
73.02925	1.7
79.05511	3.1
81.03423	10.4
81.07069	26.5
82.07415	1.6
83.08643	2.4
85.02908	22.0
87.00817	7.9
91.05478	8.0
93.07025	12.5
95.08603	41.4
97.02870	7.8
97.10186	4.2
99.04461	3.6
105.01881	9.2
105.07032	10.9
107.08595	31.0
109.02895	8.1
109.10156	83.2
109.10910	2.8
111.08113	1.9
117.07059	2.0
119.08599	28.7
121.10146	24.8
123.04450	2.2
123.11707	12.5
125.09604	2.8
127.03893	18.7
127.11196	17.8
131.08585	9.7
132.36359	1.9
133.10124	18.1
135.11676	15.1
137.13237	3.7
143.08595	8.9
145.04964	1.9
145.10129	19.9
147.11697	23.9
149.13269	11.0
155.08560	2.3
157.10112	10.8
159.02892	3.3
159.11719	23.0
161.13237	19.0
163.14836	8.3
169.10147	7.5
171.11681	11.5
173.13277	21.1
175.14825	16.6
177.16388	3.1
181.10083	1.9
183.11710	4.1
185.13246	9.8
187.14796	15.7
189.16331	8.0
195.11765	2.9
197.13234	9.8
199.14816	9.5
201.16348	18.8
203.17979	2.6
211.14836	8.2
213.16338	8.8
213.69525	1.9
215.17940	7.2
223.14735	4.4
225.16353	8.5
227.17856	7.0
231.04927	2.4
231.17734	2.1
237.16362	2.5
239.17902	8.4
241.19418	2.6
243.17152	2.0
243.21150	2.4
251.17725	2.1
253.19617	4.3
255.21097	2.7
259.20520	2.2
263.15341	2.1
267.21036	3.1
293.22406	2.7
295.24176	3.1
403.33511	26.9
421.34622	100.0
439.35696	19.2
482.60767	1.9
575.14185	1.9
633.37500	4.0
651.38794	2.7
669.40063	24.2
687.41205	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	687.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76543	0.7
53.03946	0.9
55.01882	1.1
55.05514	4.5
56.52176	0.7
57.03420	0.7
57.07076	1.1
58.66351	0.7
60.83512	0.8
61.02930	1.1
67.05505	7.2
68.99785	0.8
69.03439	8.2
69.07067	7.9
71.04989	12.7
71.08626	0.8
73.02885	0.8
73.64747	0.7
73.80794	0.8
79.05494	1.8
81.03420	8.5
81.07068	14.4
83.08614	5.1
85.02908	18.9
86.83129	0.8
87.00830	5.9
88.60597	0.8
91.05490	3.6
93.07028	9.3
95.04955	1.0
95.08609	20.1
97.02879	6.0
97.10169	4.0
99.04443	4.0
105.01865	5.7
105.07035	9.2
107.08588	16.5
109.02892	11.6
109.04879	0.8
109.10155	35.5
109.10916	1.5
111.11740	1.3
114.96283	0.8
117.07018	1.2
119.08572	14.4
121.10149	16.6
123.11711	8.8
125.09627	1.0
127.03925	15.0
127.10312	1.7
127.11188	27.2
129.01860	1.2
129.07008	2.0
131.08551	10.8
133.10121	12.0
135.11691	12.1
137.13260	4.9
141.12738	3.7
143.08553	7.0
144.78120	0.9
145.04944	4.8
145.10120	17.1
147.11719	13.8
149.13283	7.8
149.23346	0.9
155.08490	1.4
157.10130	11.2
159.02872	7.0
159.11682	14.5
161.13243	11.6
163.14810	3.6
165.12807	1.4
169.10124	5.6
171.11691	12.8
173.13266	13.9
175.14813	11.4
177.16353	3.9
183.11615	6.5
185.13235	17.1
187.14795	17.7
188.99837	0.9
189.16396	4.2
197.13286	5.8
199.14870	12.1
201.16400	10.5
203.17990	1.9
209.13196	1.1
211.14810	5.1
213.16406	5.4
215.17964	4.3
217.19571	1.1
223.14754	1.5
225.16382	6.7
227.17892	8.6
227.46193	0.9
231.04984	1.1
237.16469	1.8
239.17863	6.0
240.18727	1.2
251.17928	1.8
253.19524	9.2
255.21030	1.6
265.19516	1.6
267.21094	4.7
269.70624	0.9
279.20987	1.4
281.22617	1.3
291.20895	0.9
293.22623	1.5
294.23459	2.1
295.24237	3.7
301.06918	1.8
311.23608	1.1
335.27335	1.0
337.24951	1.2
379.30078	1.3
403.33392	9.5
419.33392	1.1
421.34644	100.0
437.34006	1.5
439.35742	17.5
529.36469	1.3
650.84839	1.0
651.38422	5.9
669.40051	20.8
687.40991	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	687.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.5
55.01863	4.3
55.05509	4.6
55.52175	2.4
61.02899	2.3
62.22139	2.5
67.05515	11.6
67.62706	2.5
68.99789	3.2
69.03426	20.8
69.07066	12.8
79.05506	6.1
81.03438	28.0
81.07060	21.4
83.65096	3.1
85.02913	42.0
87.00818	15.4
93.07030	20.5
95.08617	40.4
97.02884	19.2
97.10156	3.2
99.04447	12.5
105.01868	15.3
105.07022	16.6
107.08601	31.3
109.02876	23.6
109.10167	45.2
117.07009	4.3
119.08557	31.9
121.10130	24.4
123.11716	12.7
127.03932	42.4
127.11085	4.2
131.08580	15.0
133.10120	24.3
135.11725	7.2
139.42603	3.6
141.06938	2.8
143.08586	5.9
145.04912	12.1
145.10118	32.2
147.11728	21.4
149.13284	13.0
157.10127	17.3
159.02902	13.3
159.11688	29.8
161.13258	32.7
163.14783	5.9
169.10130	6.8
171.11716	15.2
173.13260	24.7
175.14856	20.8
183.11693	5.3
185.13216	13.1
187.14812	14.7
189.16382	5.8
195.11707	3.8
197.13217	11.9
199.14848	5.3
201.16330	24.3
203.14528	3.0
203.18042	4.4
211.14899	3.6
213.16418	5.3
215.17986	5.7
217.15800	6.2
219.17480	3.5
225.16394	5.9
225.25819	3.1
227.17963	6.9
239.17841	6.5
241.19446	5.6
251.17938	3.6
253.19447	11.4
257.18906	5.1
267.21210	6.6
279.21243	3.9
281.08124	4.0
307.24039	3.5
311.23724	4.5
363.30328	6.7
403.33594	34.1
421.34601	100.0
439.35782	14.9
586.76733	3.9
631.67407	3.7
651.27386	3.8
651.38324	5.1
669.40131	48.9
687.40991	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	687.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.0
55.01878	0.9
55.05512	4.1
55.05749	0.7
57.03444	1.3
57.04249	0.7
58.62306	0.7
61.02926	1.3
62.02595	0.7
62.50096	0.8
66.67490	0.8
67.05177	1.5
67.05510	26.9
69.03436	8.4
69.07075	10.7
71.04971	1.5
73.02918	1.7
79.05496	4.5
79.54491	0.7
81.03429	10.3
81.07062	17.7
83.04980	1.0
83.08627	3.4
85.02916	20.2
86.96253	0.8
87.00835	8.1
89.29004	0.8
90.75941	0.7
91.05464	1.7
93.07041	10.2
95.08614	21.0
97.02894	8.5
99.04443	4.7
105.01867	5.6
105.07033	6.1
107.08606	16.5
109.02869	12.2
109.10159	100.0
111.11727	0.8
114.25790	0.8
115.17936	0.7
117.07021	1.2
119.08585	9.2
121.10136	23.0
121.25173	0.8
123.08093	1.0
123.11696	7.4
125.09682	1.3
127.03912	15.9
128.04248	1.0
129.01859	1.9
131.08583	4.4
133.10118	9.6
135.08043	4.1
135.11671	9.7
137.13322	1.5
143.08560	1.5
145.04959	3.2
145.10103	7.6
147.11690	7.1
149.13261	6.2
149.43553	1.1
157.10101	5.3
159.02893	5.0
159.11656	7.0
161.13268	6.7
163.14804	3.7
167.07193	0.8
169.10118	1.6
171.11746	6.3
173.09726	0.9
173.13271	6.6
175.11249	1.0
175.13460	0.8
175.14740	6.1
177.16377	6.8
183.11720	3.7
185.13274	4.6
187.14833	5.4
189.16377	5.8
197.13266	4.1
199.14824	5.4
201.16373	4.5
211.14816	3.5
213.16412	5.2
215.17941	1.7
217.15817	1.0
223.14723	1.1
225.16348	1.7
227.17961	4.0
229.15840	1.0
229.19637	0.9
231.04977	0.8
239.17882	4.4
241.19545	1.5
251.17952	1.1
253.19482	1.5
255.21159	1.5
267.21042	1.5
281.22684	3.5
283.20557	0.9
293.22614	1.5
299.23685	1.3
311.23721	1.2
325.25192	0.9
339.26855	1.8
365.28302	1.6
402.20688	0.8
403.33566	17.9
421.28934	1.8
421.34628	46.7
439.35638	12.5
651.38171	1.5
663.32721	1.0
669.40033	12.6
680.10370	1.1
687.41315	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	687.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91456	1.5
55.01872	2.2
55.05514	4.5
57.07063	2.1
61.08400	1.7
67.05506	30.5
69.03437	14.1
69.07065	15.6
71.04984	11.0
79.05516	3.0
81.03414	12.5
81.07053	30.5
83.04977	3.1
83.08640	8.1
85.02908	33.9
87.00815	8.4
91.05488	7.9
93.07047	22.6
95.08597	38.4
97.02877	11.9
99.04465	3.4
105.01869	13.9
105.07034	19.9
107.08599	29.9
109.02869	14.7
109.06628	2.0
109.09435	3.5
109.10158	81.1
118.58275	2.1
119.08582	27.8
121.10132	32.6
122.70392	2.2
123.11692	11.2
125.09652	6.5
127.03906	27.4
127.11175	14.2
131.08542	9.4
133.10130	22.9
135.08018	2.4
135.11703	17.8
137.13263	2.6
142.15678	2.2
143.08569	12.8
145.04970	4.4
145.10126	24.1
147.11664	17.1
149.13257	11.6
157.10121	11.4
159.02927	3.9
159.11696	22.7
161.13242	21.6
163.11180	3.3
163.14771	7.9
169.10074	4.3
170.10782	2.4
171.11684	15.9
173.13243	19.7
175.14812	20.5
177.16370	4.8
183.11652	10.0
185.13216	15.5
187.14767	24.2
189.16408	3.8
195.11673	3.5
197.13220	6.7
199.14766	16.4
201.16374	18.0
203.17963	8.4
209.13313	3.6
211.14816	7.9
213.16351	10.1
215.17973	10.2
217.19525	2.9
223.14824	2.5
225.16376	4.7
227.17966	7.7
229.19444	3.0
237.16676	2.7
239.17992	4.5
241.19356	2.4
245.18921	3.5
251.17941	3.6
253.19498	9.0
255.21136	4.9
267.21201	7.1
293.22617	4.5
294.23425	2.1
295.24130	2.5
337.25003	2.3
365.28284	3.4
403.33557	28.5
421.34631	100.0
439.35678	22.3
651.38483	3.5
669.39526	20.9
687.41156	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	687.48
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.0
57.03456	0.6
59.00373	0.5
67.05501	2.2
69.07080	1.0
79.05537	0.5
81.07069	3.1
88.88167	0.5
93.07028	0.6
95.08606	1.1
109.10126	0.6
119.08585	0.5
120.78264	0.5
121.10149	0.5
137.56706	0.5
147.75748	0.5
149.03481	0.5
182.24393	0.5
237.87923	0.5
337.27438	0.7
351.21533	6.2
393.44577	0.7
521.37494	0.5
687.47986	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
62.39651	0.4
67.05504	0.4
69.03419	0.4
85.02936	0.4
86.09702	0.5
87.04453	0.4
89.06041	1.5
95.08646	0.6
109.02883	0.7
109.10129	0.5
114.09177	4.4
133.08575	0.8
133.10091	0.4
159.11728	0.5
209.16547	0.9
227.17522	0.4
228.15999	1.5
249.03183	0.5
262.08548	0.5
275.20004	3.5
290.08316	0.5
292.09698	2.7
293.21100	2.2
311.22092	1.9
320.09174	100.0
329.23181	0.6
334.11050	0.6
347.24274	1.7
349.89685	0.5
482.73950	0.4
514.15375	0.5
688.20215	7.1
688.51868	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	688.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39309	0.2
58.83855	0.2
59.38824	0.2
67.61078	0.2
68.77653	0.2
69.91223	0.2
70.06596	0.3
79.48306	0.2
84.08205	0.2
96.43338	0.2
114.09164	0.9
127.03945	0.2
181.96588	0.2
292.09662	2.8
318.07483	0.3
320.09158	100.0
330.54929	0.2
688.20264	7.0
688.51355	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	688.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87915	1.1
59.61080	1.1
70.06596	27.7
72.08157	2.0
74.06092	2.8
75.27291	1.0
84.08162	1.7
86.09711	1.7
105.57987	1.1
110.07167	2.5
112.08716	8.3
113.07146	1.5
115.08714	1.6
125.07115	1.6
129.10231	4.2
130.06552	4.3
159.09206	1.5
185.07130	21.2
188.88496	1.2
211.08702	17.3
211.11909	7.5
213.13531	6.1
239.05696	2.7
239.08157	80.4
314.11349	1.2
360.11978	5.6
383.44250	1.4
386.97150	1.2
400.11502	1.5
413.14969	1.4
422.35678	1.3
431.15945	1.3
599.48602	1.2
628.88904	1.4
688.30426	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4771
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44513	0.7
55.60781	0.5
56.43291	0.6
57.07069	1.2
60.80715	0.6
63.23202	0.7
68.66726	0.7
69.41389	0.6
70.06594	1.3
75.46844	0.6
80.72884	0.6
88.07628	4.2
103.35684	0.7
106.08630	3.5
149.35033	0.8
223.60751	0.6
256.26379	5.4
274.27380	100.0
286.27213	0.8
289.26764	0.7
328.05634	0.8
408.87299	0.7
636.40955	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	689.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.45504	1.0
62.00101	1.2
62.11170	1.1
79.60490	1.3
93.02010	1.3
106.29822	1.2
176.34962	1.4
199.91016	1.8
227.62131	1.3
262.62823	1.3
389.76584	1.3
400.15381	13.0
414.16904	6.5
428.18417	13.5
428.23511	1.4
429.19269	19.2
442.16071	12.5
447.84164	1.8
455.11481	2.5
455.17148	37.6
456.17850	21.0
457.18515	2.0
469.15112	2.2
482.15463	1.5
483.16599	39.7
484.16315	10.7
487.20023	2.9
499.16205	10.3
500.16235	2.5
511.19861	6.4
515.18970	2.8
523.16217	2.3
527.15588	49.6
528.15833	33.0
537.17609	2.0
539.19348	21.1
539.26733	2.4
543.22339	20.8
555.18982	1.6
571.21906	100.0
573.20288	2.1
586.20667	2.1
587.21460	2.9
601.22772	6.7
602.23663	16.6
615.20709	5.8
629.22638	18.8
630.22760	60.0
633.25336	1.6
641.01563	1.7
657.21899	56.9
661.25146	6.7
689.24451	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	689.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
93.07045	1.2
108.17109	1.2
112.55663	1.0
114.79209	1.4
124.05074	1.2
134.01535	1.2
163.79298	1.2
368.82925	1.2
369.08511	1.2
427.17911	4.3
428.18607	21.9
429.19455	2.1
441.15497	1.5
455.17148	89.8
456.17670	8.8
458.15564	8.4
459.16284	2.6
469.15344	1.8
472.17419	2.4
473.18079	1.6
483.16602	83.5
484.16843	1.8
486.19232	7.2
487.20096	19.6
500.16428	1.2
501.17728	5.9
510.18668	5.6
513.18036	1.5
514.18628	1.8
515.19141	15.9
516.20209	4.6
523.16113	4.8
527.15161	17.2
528.15515	8.0
538.18372	14.1
541.20245	1.5
542.20813	1.9
552.37335	1.2
555.18628	9.9
569.20630	5.0
570.20789	26.6
573.23151	4.7
574.24286	12.7
587.21002	8.8
601.23615	9.6
602.23743	83.9
629.22186	18.7
630.22607	7.6
633.25757	8.2
643.24139	8.3
657.21912	24.3
661.25208	13.5
689.24365	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
82.77068	2.0
91.60666	1.6
96.92069	1.6
189.97061	1.5
191.69032	1.6
439.33948	1.7
469.18930	2.2
470.19788	9.8
484.20926	6.8
487.20197	6.8
495.16577	1.9
515.19250	20.6
523.16351	3.3
528.20154	17.7
529.21167	12.5
537.17761	2.5
538.18616	7.2
560.22461	2.0
570.21478	3.7
587.21429	2.6
602.23907	6.5
629.22327	1.8
657.22083	7.7
669.08868	1.8
689.24615	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
81.76210	1.0
87.64483	1.1
91.75556	0.9
119.18078	1.1
122.48981	1.0
130.21698	1.0
138.07486	0.9
240.34418	1.0
317.25641	1.4
525.19232	4.7
543.23950	2.5
579.25818	10.6
587.22565	2.1
598.21680	7.5
601.24030	1.9
602.24689	2.3
689.25836	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73948	1.4
55.05512	3.1
64.98867	1.5
67.05496	3.4
68.79385	1.9
69.03432	21.4
69.07061	2.5
71.04991	17.5
73.02930	2.4
81.07067	7.6
83.08633	2.9
85.02905	60.3
85.06551	7.3
93.07047	2.1
95.08589	8.0
97.02892	100.0
97.10180	8.3
99.08108	1.7
105.07035	3.2
107.08588	24.1
109.10133	15.0
115.03928	59.5
119.08610	8.7
121.10178	3.6
123.11713	12.7
125.09620	31.1
127.03946	12.4
127.11200	11.0
129.07022	1.8
131.08566	2.5
133.10152	4.2
135.11671	2.8
141.12735	7.0
143.10681	56.5
147.11710	8.8
150.48784	1.6
152.91486	1.7
155.08521	2.7
157.03740	3.4
157.04958	68.9
157.10010	2.8
159.11670	7.4
161.13246	7.2
166.18797	1.7
171.11687	3.7
173.13251	7.7
175.14722	3.9
183.11676	2.7
185.13246	2.9
187.14853	2.8
192.31331	2.0
195.11624	1.7
197.07245	1.9
197.13303	2.4
201.16512	3.7
209.13173	2.0
213.16298	3.1
217.07076	39.1
229.16031	2.4
241.19568	2.0
256.99173	1.8
315.45172	2.2
407.33148	3.8
419.32935	14.2
437.34207	16.4
455.35001	11.0
473.35748	2.1
615.13403	2.4
671.40796	7.5
689.17902	3.5
689.29340	2.2
689.42163	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	689.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90799	1.8
52.69973	1.9
55.05513	5.6
55.21273	2.2
56.81968	2.1
57.07073	3.5
58.82541	2.0
66.79076	2.6
67.05518	20.9
69.03429	11.2
69.07078	23.1
71.05017	2.5
71.08628	3.1
79.05489	2.8
81.03418	15.2
81.07063	38.0
83.08604	6.0
85.02903	28.8
87.00814	15.3
91.05453	2.9
93.07034	20.6
95.08612	52.6
97.02904	10.9
97.10165	5.4
99.04428	2.9
105.01852	6.0
105.07043	15.5
107.08601	38.9
109.02875	5.1
109.10162	95.0
111.11736	4.0
117.07067	5.3
119.08588	39.6
121.10144	34.1
123.11699	27.7
127.03916	21.0
129.96599	2.7
131.08542	9.8
133.10132	27.3
135.11700	24.6
137.13228	4.4
143.08580	4.4
143.46370	2.6
145.04900	5.5
145.10129	31.2
147.11664	27.2
149.13264	16.9
157.10146	10.1
159.02898	9.8
159.11749	23.9
161.09628	2.5
161.13229	30.3
163.14786	5.5
166.52844	2.6
169.10060	3.1
171.11717	10.6
173.13228	15.8
175.14841	21.6
177.16417	4.7
183.11716	10.2
185.13266	13.7
187.14841	26.0
189.16345	21.4
191.17989	4.9
197.13185	4.1
199.14803	13.1
201.16377	31.9
203.17917	19.4
208.69455	2.4
209.13266	3.2
213.16364	9.7
215.18016	12.1
217.19534	10.0
225.16304	3.4
227.18018	9.7
229.19398	3.4
239.17969	4.2
241.19505	3.3
253.19423	2.8
254.91980	2.7
279.21146	3.5
323.27200	4.8
335.27145	3.4
363.52744	2.8
365.31943	4.1
405.35123	64.4
423.36221	100.0
441.37009	13.7
639.23529	4.6
641.22675	5.3
653.40308	3.0
671.24591	13.0
671.41345	25.4
689.25116	93.4
689.42426	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	689.427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05937	2.7
55.05525	10.4
57.03460	2.7
62.56866	2.1
67.05513	26.3
69.03436	6.7
69.07072	28.1
73.02911	3.0
79.05499	6.7
81.03419	16.9
81.07064	46.2
83.08603	13.0
85.02915	29.8
87.00829	12.3
90.33768	2.9
91.05476	4.5
93.07032	33.1
95.08615	66.0
97.00244	2.5
97.02900	6.6
99.04452	4.7
105.01879	17.1
105.07050	30.7
107.08608	46.8
109.02869	19.1
109.10159	100.0
119.08572	42.0
121.10141	44.6
123.11711	24.5
127.03932	25.9
131.08595	14.2
133.10124	29.9
135.11707	31.4
137.13246	3.4
143.08549	6.2
145.04929	3.7
145.10092	29.6
147.11690	39.1
148.58208	2.8
149.13231	26.1
157.10095	11.3
159.02878	4.1
159.11667	37.5
160.03375	3.0
160.12263	3.6
160.67677	2.5
161.13264	42.3
163.14812	13.1
169.10187	4.0
171.11729	12.8
173.13271	23.5
175.14757	24.3
177.16400	15.9
184.31888	2.7
185.13307	15.2
187.14799	28.5
189.16431	15.4
191.17926	4.2
197.13252	4.3
198.29541	2.9
199.14877	6.2
201.16403	39.6
203.17908	30.8
211.14784	4.5
213.16400	6.9
215.17924	6.6
217.19519	4.4
225.16388	5.7
225.40091	3.1
227.18091	4.2
229.19508	4.5
239.18073	5.1
239.76567	2.5
241.19453	3.7
242.38145	3.4
245.19226	3.5
253.19402	4.6
255.20992	3.5
267.20959	4.5
279.20975	3.5
281.22723	3.9
295.23904	3.0
365.32013	10.7
367.29727	4.3
381.87894	3.2
405.35187	80.3
416.30649	3.0
423.36234	97.2
441.37082	19.0
501.47269	2.9
653.40381	4.4
671.23712	17.5
671.41431	38.2
689.25372	97.8
689.42261	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	689.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.9
55.05522	2.0
57.03432	1.7
57.07059	1.6
67.05505	5.5
69.03420	8.2
69.07066	12.0
71.04999	12.6
73.59114	1.0
79.05511	3.0
81.03428	8.0
81.07062	14.6
83.08615	6.8
85.02908	20.5
87.00840	6.5
87.76642	1.2
91.05476	6.4
93.07049	12.1
95.08614	30.7
97.02876	2.7
97.10203	1.2
99.04478	1.4
99.08084	1.3
105.01881	6.4
105.07043	9.9
107.08585	21.1
109.02887	9.2
109.10165	28.4
111.11718	2.3
117.07008	2.7
119.08585	14.4
121.10130	27.1
123.11725	12.8
126.43359	1.5
127.03919	15.0
127.11190	33.7
131.08528	6.1
133.10149	17.5
134.85811	1.2
135.11656	15.3
136.70622	1.6
137.13226	5.8
141.12729	1.8
143.08611	2.2
145.04900	2.4
145.10121	16.3
147.11690	12.9
149.13289	10.7
151.14796	1.8
155.08638	1.3
155.54218	1.4
157.10196	2.6
159.02895	6.0
159.11684	14.4
161.13252	12.3
163.14844	5.8
167.87048	1.3
171.11658	6.4
173.13272	11.1
175.14795	15.2
176.71231	1.4
177.16368	3.0
185.13280	7.6
187.14865	12.0
189.16461	9.0
191.18098	1.9
199.14874	5.6
201.16328	9.1
203.17938	3.0
211.14783	1.6
213.16313	2.9
215.17967	5.3
217.19525	2.0
227.17952	5.8
229.19493	11.8
231.05028	1.9
241.19492	9.2
243.21271	1.7
255.21045	6.9
269.22427	2.1
277.25955	1.5
283.24182	6.0
297.25784	1.5
321.25476	1.5
337.28900	2.2
405.35147	8.9
423.36209	100.0
441.37488	9.2
495.25845	1.8
653.40424	5.2
671.41858	11.1
689.24670	10.7
689.42255	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	689.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.01867	1.8
55.05512	5.6
55.51078	0.7
55.62382	0.8
55.69482	0.8
57.03442	2.0
57.05387	0.7
57.07073	1.8
57.82973	0.8
62.85308	0.7
65.03925	0.8
67.05503	6.1
69.03439	12.7
69.07078	11.9
71.04997	14.4
79.05508	2.0
81.03423	10.8
81.07061	17.7
83.08630	7.1
85.02901	27.9
85.03378	1.8
87.00819	8.5
91.05472	4.6
93.07032	11.0
95.08611	28.2
97.02890	7.9
97.10161	5.0
99.04461	5.1
99.08105	1.2
105.01861	9.6
105.07054	8.8
107.08604	19.6
109.02887	13.1
109.10155	40.4
111.11735	1.4
111.53760	0.9
117.07014	1.8
119.08569	16.0
121.10133	20.8
123.11707	12.3
125.09634	1.6
127.03921	19.8
127.11190	37.9
129.01830	1.9
131.08546	6.8
133.10114	17.6
135.11703	15.2
137.13278	7.6
141.12770	6.9
143.08560	3.6
145.04950	4.3
145.10118	17.9
147.11668	14.1
149.13240	13.3
157.10147	3.8
159.02863	6.6
159.11681	17.0
161.13235	14.6
163.14813	6.9
164.17107	0.9
169.10017	1.1
171.11668	6.2
173.13220	10.9
175.14799	16.5
177.16377	4.8
183.11740	1.7
185.13261	5.7
187.14835	14.8
189.16399	11.0
197.13290	1.4
199.14822	5.4
201.16376	19.2
203.17957	3.8
211.14771	1.7
213.16423	3.9
215.17984	2.1
217.19513	2.0
221.19044	1.2
225.16496	1.4
227.17929	5.2
229.19472	9.9
231.04991	3.5
233.19011	1.5
235.20438	1.1
237.16472	1.2
239.17848	1.1
241.19440	7.3
249.06136	1.6
255.20949	6.3
267.21097	1.1
269.22556	1.2
285.22012	1.2
295.24118	1.1
297.25711	2.0
317.06464	4.7
332.61710	0.9
337.28769	1.0
372.60165	1.0
387.04916	0.9
405.35330	8.5
421.34537	1.4
423.36200	100.0
441.37173	8.2
495.25620	2.1
653.40607	6.6
671.41492	16.4
689.42676	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	689.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.4
55.01878	5.7
55.05500	4.3
57.07080	3.8
59.29716	2.9
61.02941	2.8
67.05514	31.9
68.99793	2.9
69.03445	23.5
69.07065	23.5
71.04938	3.8
73.02900	3.7
74.44711	2.9
81.03439	28.4
81.07062	56.9
83.08612	6.4
85.02908	52.9
87.00830	27.2
88.07655	3.8
89.08374	2.8
91.05461	4.9
93.07047	34.6
95.08612	64.5
97.02884	19.0
97.10176	6.3
99.04466	12.4
105.01864	24.8
105.07039	30.7
107.08588	50.3
109.02878	30.3
109.10158	64.2
111.11666	4.1
112.36456	3.3
119.08578	46.4
121.10165	44.1
123.11715	28.1
125.58757	3.1
127.03909	43.2
129.01897	4.1
131.08543	6.1
132.10168	4.1
133.10129	37.2
134.76012	2.7
135.11696	18.5
137.13182	2.9
143.08557	5.2
145.04961	15.5
145.10136	32.4
147.11707	32.6
149.13274	21.4
157.10092	13.8
159.02902	22.3
159.11691	35.4
161.13264	45.8
163.14809	17.7
165.12685	3.5
169.10130	4.5
169.87915	3.4
171.09413	3.7
171.11664	18.8
173.13225	34.5
175.14867	24.9
177.16412	17.5
185.13310	13.0
187.14810	30.4
189.16344	12.1
199.14775	11.5
201.16373	20.0
205.15881	4.8
211.14864	5.4
213.16357	7.4
215.17979	14.0
227.17819	15.0
229.19377	23.6
231.05124	5.0
241.19450	16.1
247.20544	17.4
253.19354	3.8
259.20596	14.1
267.21024	5.1
281.22614	4.7
295.24188	12.3
313.25250	4.7
354.34232	3.5
365.31903	3.9
405.35162	64.1
423.36172	100.0
653.39764	3.7
671.41644	44.1
689.41577	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	689.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	1.9
55.05530	2.7
57.03455	1.6
67.05502	7.7
69.03431	9.3
69.07051	10.7
71.04981	10.5
79.05499	2.3
81.03424	9.7
81.07057	17.1
83.08617	8.1
85.02908	25.7
87.00829	6.1
91.05478	2.7
93.07037	9.6
95.08601	27.9
97.02887	2.5
97.10172	3.2
99.04465	2.0
105.01868	6.5
105.07031	7.3
107.08604	17.2
109.02901	11.0
109.10152	43.9
115.03942	1.9
117.07053	2.4
119.08591	15.5
121.10148	21.5
123.11726	12.8
125.09659	1.8
127.03931	21.4
127.11203	32.9
129.06976	1.8
131.08589	6.4
133.10118	19.5
135.11690	14.7
137.13264	8.5
141.12782	3.0
143.08568	3.7
145.04916	2.2
145.10127	13.5
147.11642	12.4
149.13251	14.2
157.10190	1.8
159.02898	3.0
159.11678	15.6
161.13286	12.2
163.14816	6.4
171.11652	8.7
173.13268	11.0
175.14798	20.2
177.16388	3.2
185.13321	9.3
187.14781	12.9
189.16417	8.9
199.14771	5.0
201.16431	13.9
203.17894	3.5
211.14880	1.4
213.16353	2.4
215.17937	1.9
217.70799	1.4
227.17931	3.1
229.19435	10.4
231.05054	2.2
236.99307	1.6
241.19484	7.2
255.21066	8.1
269.22736	2.1
297.25797	2.1
405.35181	5.9
423.36206	100.0
441.37201	8.1
608.59662	1.6
653.39667	2.9
671.41980	11.0
689.42499	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	689.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18691	1.7
53.03957	3.4
55.01873	2.5
55.05514	3.5
57.07087	3.2
64.99352	1.7
65.33643	2.0
67.05504	24.7
69.03421	10.0
69.07061	28.0
71.05006	3.9
79.05499	5.0
80.31823	1.9
81.03423	13.5
81.07065	33.7
83.08613	9.1
83.39720	2.1
85.02924	23.4
87.00814	11.5
91.05484	4.6
93.07059	20.3
95.08593	50.6
97.02893	11.1
99.04439	5.0
105.01852	3.7
105.07027	16.2
107.08613	38.0
109.02896	13.3
109.09444	4.6
109.10159	97.8
111.08054	3.7
111.11727	4.1
117.06999	3.2
119.08563	27.4
121.10141	32.7
123.11720	25.6
127.03927	18.0
131.08569	9.0
133.10083	23.6
135.08112	3.1
135.11705	18.7
137.13263	13.0
143.08575	3.2
145.04921	2.6
145.10123	24.0
147.11674	28.3
149.13257	20.2
157.10106	5.3
159.02922	4.7
159.11642	30.0
161.13235	26.0
163.14833	15.7
163.16032	2.1
169.10065	2.6
171.11696	13.2
173.13303	18.5
175.14824	18.3
177.16405	4.6
183.11665	5.3
185.13342	15.8
187.14809	26.6
189.16379	16.6
191.17976	3.1
197.13295	2.8
199.14844	10.0
201.16391	42.7
203.17967	19.7
211.14906	8.0
212.51297	2.6
213.16396	12.1
215.17963	14.5
217.19496	4.8
227.17923	10.8
229.19557	3.1
239.17932	3.9
253.19493	5.3
255.21243	2.5
257.22592	3.6
267.21143	2.9
269.22522	5.1
295.24258	2.6
323.27319	2.6
349.29056	3.1
365.32169	4.5
367.29935	2.9
396.52911	2.3
405.35144	53.4
423.36206	100.0
441.37192	13.6
514.47980	2.4
534.79224	2.4
653.40076	9.2
671.41272	21.9
689.24860	4.1
689.42505	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	689.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77758	3.5
59.05436	4.0
72.19890	3.5
75.79582	5.0
84.10904	4.2
92.21024	7.7
100.24815	4.1
147.03079	4.2
147.04269	4.3
162.74744	4.7
184.45451	4.3
217.37387	4.5
289.82852	4.2
293.01886	4.3
298.78073	4.6
331.10934	4.1
338.03204	4.5
362.17535	4.5
547.77502	4.7
689.49622	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.7
55.01882	7.0
57.03455	2.8
60.38884	1.2
61.02931	3.4
69.03437	53.7
71.05010	3.7
73.02912	10.4
80.78849	1.4
81.03426	29.6
83.01306	2.0
83.04993	2.7
85.02913	98.5
87.00832	32.1
87.04479	2.7
91.03976	1.8
92.21426	1.9
94.27871	1.6
97.02898	100.0
99.04458	27.5
103.03949	6.1
105.01879	53.1
105.02426	1.2
105.02585	1.5
107.04984	1.8
109.02885	40.8
111.04450	2.7
114.09161	1.8
115.03922	16.7
117.01862	1.9
117.05444	2.6
125.02351	1.8
127.02988	3.6
127.03915	86.6
129.01782	2.8
133.04936	5.8
139.03889	10.5
145.04971	36.4
147.02878	2.3
147.04425	1.7
149.86462	1.4
159.02933	23.3
165.01863	2.2
177.05521	7.2
189.04005	2.9
201.03957	2.6
205.05048	2.4
213.03955	7.5
223.06009	6.6
231.04997	27.0
241.07088	8.8
245.72945	1.8
249.06065	21.1
259.08197	3.8
273.06067	3.5
302.88522	1.7
327.07068	14.5
334.10596	1.8
345.08191	51.7
363.09189	19.1
375.09116	2.1
381.10242	19.2
393.10455	2.1
398.12958	2.6
411.11218	2.4
578.35730	1.7
626.00153	1.6
690.39410	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	691.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17273	0.3
147.16318	0.4
266.42566	0.5
457.19095	0.8
484.13766	4.1
485.18246	0.7
497.17996	0.8
498.15387	2.8
510.19101	2.3
511.16150	0.8
512.16919	7.5
513.17731	45.1
514.18304	5.9
523.16016	10.2
525.17950	0.6
526.18616	5.3
527.19336	11.0
530.17810	0.6
531.18732	2.4
555.18536	3.6
557.24390	0.6
568.19843	1.7
569.20435	1.7
573.22565	0.8
583.20947	0.6
599.21509	3.9
600.22101	2.5
601.22821	4.8
614.23615	3.4
659.23016	3.0
660.24408	5.7
673.25244	0.8
691.26160	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	691.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35857	0.3
74.62464	0.4
143.09834	0.5
153.63281	0.5
196.16910	0.5
384.22714	0.5
457.18747	1.0
484.13858	4.2
497.18369	0.7
498.15710	2.0
510.18976	2.0
511.16171	0.6
512.16840	8.3
513.17743	39.0
514.18536	7.9
523.16248	10.4
525.18024	1.9
526.18341	4.3
527.19409	12.3
531.19104	2.9
555.18634	5.5
556.19775	0.8
557.23944	1.1
568.20172	0.8
569.20123	1.1
573.19415	0.8
599.21558	2.6
600.22046	2.4
601.23395	4.2
614.23425	3.4
659.23859	3.1
660.24139	6.0
673.24670	0.7
691.26141	100.0
717.63971	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17746	0.3
70.06541	2.1
78.37912	0.3
86.09691	0.4
88.07747	0.3
113.25123	0.4
133.66132	0.3
138.05499	0.5
189.12859	0.3
197.57722	0.4
229.75249	0.3
243.64275	0.3
263.74277	0.4
290.08075	6.0
292.09671	3.0
302.08118	1.5
304.06021	5.2
318.07581	8.4
319.08398	37.9
320.09164	100.0
321.10010	0.5
328.68283	0.4
334.10721	82.5
336.12375	1.6
472.71518	0.4
692.23315	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	692.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44628	0.9
57.03418	1.2
67.05512	7.4
67.17058	1.0
69.03428	4.4
69.07069	6.1
73.92134	1.3
79.05536	1.5
81.03436	9.4
81.07069	29.5
83.04991	2.3
83.08625	5.0
85.02898	5.8
91.05488	7.1
92.21170	2.1
93.07045	6.5
95.04971	1.8
95.08613	2.5
97.06537	1.9
99.04482	2.0
101.76250	1.2
102.24112	1.2
105.07051	14.8
107.08607	5.5
109.02856	9.6
109.06582	1.9
114.63728	1.1
115.93085	1.2
119.08575	12.0
121.10152	12.5
123.04431	39.0
123.08073	1.2
123.11692	16.5
127.03120	1.3
127.03924	9.8
127.07567	1.6
133.06514	2.1
133.10139	2.0
137.06001	1.5
147.04420	6.9
147.11685	52.8
157.10130	2.1
161.05980	8.1
165.05487	12.3
165.12740	22.0
167.07034	100.0
175.11111	1.8
182.49155	1.2
183.13780	1.5
185.05960	1.6
189.05486	12.1
193.08681	2.7
193.12274	5.0
213.05511	5.0
229.14278	18.4
231.06509	5.8
253.14304	2.7
271.15338	1.5
295.15463	2.1
303.12277	14.0
313.16379	13.1
315.12640	1.4
319.15619	1.6
327.12320	5.2
336.12558	1.4
337.16495	9.6
345.13242	8.2
355.17493	8.9
369.13159	11.6
373.18625	2.6
393.13339	19.1
411.14374	14.7
478.41223	1.3
504.52155	1.2
570.15527	1.5
621.26617	2.0
714.89447	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	692.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	3.1
59.12683	1.9
67.05499	20.8
69.07068	17.0
70.84470	2.2
71.01623	2.1
81.07067	35.3
83.04985	2.9
83.08611	4.8
85.06528	3.8
91.05488	3.6
91.97686	2.4
92.21529	3.6
93.07034	21.0
95.08610	38.6
99.08105	10.0
105.07027	12.5
107.08604	27.2
109.06554	3.3
109.10158	95.8
111.08104	2.5
117.07002	3.5
119.08588	50.1
121.10121	20.4
123.08011	3.0
123.11710	5.7
125.09632	2.8
131.08539	11.1
133.06430	2.6
133.10106	28.9
135.04366	3.0
135.08058	17.1
135.11693	11.7
137.09653	2.8
143.08565	5.6
145.10175	38.0
146.67642	3.0
147.11694	29.9
149.05946	12.6
149.09628	5.3
149.13235	13.0
157.10165	24.2
159.11697	28.9
161.13223	16.6
163.11180	3.7
166.65269	2.6
169.10143	12.3
171.11684	24.6
173.09631	3.5
173.13219	17.3
175.11226	13.4
175.14851	25.4
183.11725	6.2
185.13306	15.8
187.14827	22.1
195.11693	4.8
197.13278	9.7
199.14833	5.9
200.07021	2.4
201.16431	2.7
205.86157	3.1
209.13181	5.8
211.14870	9.7
213.16411	4.9
215.14291	12.1
223.14771	6.2
225.16382	22.8
227.17918	4.1
231.17488	5.0
233.15385	4.4
237.16364	6.2
239.17940	12.5
241.15819	5.3
243.49570	2.7
251.17905	4.7
253.19461	2.6
267.17313	4.3
269.18884	5.4
279.21048	4.2
291.20926	5.0
351.23062	4.0
359.27118	2.8
377.28458	4.8
379.26120	3.0
395.26028	3.0
399.30508	17.6
417.31564	70.7
435.32617	100.0
459.32147	4.4
477.33661	55.0
495.34763	74.5
597.83331	2.8
690.58539	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	693.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55907	3.7
55.05512	23.9
57.03433	40.0
57.07055	3.7
61.02926	5.0
67.05508	40.3
67.05819	5.2
69.07059	20.7
71.04982	18.3
75.74167	3.4
79.05492	43.3
81.03407	6.6
81.07063	75.2
83.04964	5.4
83.08611	17.4
85.02908	24.4
85.06544	8.0
89.25808	3.8
91.03937	4.5
91.05470	37.4
92.21245	6.8
93.07048	70.1
95.04974	5.2
95.08609	68.7
97.02886	10.2
97.06507	8.2
105.07017	52.8
107.08600	56.0
109.06522	6.5
109.10144	31.2
111.08060	5.9
117.07009	21.4
119.08550	49.2
121.10139	58.0
123.08077	10.2
123.11703	19.1
127.03876	6.8
129.06995	17.0
131.08571	31.0
133.10126	54.8
135.11713	38.8
137.09583	4.8
139.11151	4.2
143.08546	9.4
145.10124	34.2
147.11674	66.7
148.12029	6.4
149.13269	22.3
155.08539	5.9
157.10106	24.2
159.11688	29.5
161.13242	10.4
163.11189	5.3
165.12729	23.7
171.11696	10.4
173.09598	5.8
173.13260	27.1
175.14824	10.0
183.11610	5.1
185.01410	4.2
185.13269	17.6
187.14810	7.2
191.14220	5.0
241.19482	10.1
259.20544	26.4
277.21652	27.0
285.17026	9.5
286.17377	7.2
333.24222	6.0
335.22263	5.1
351.25241	100.0
364.86325	5.4
369.26483	53.8
403.25009	4.7
405.26144	5.5
421.25793	5.8
423.27530	17.5
459.27609	4.6
464.08667	4.8
477.28339	21.3
480.22061	4.8
495.29196	28.3
513.30573	85.7
693.21777	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	693.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27821	0.7
55.05510	3.1
57.03440	1.0
57.07080	0.8
57.83755	0.8
61.02908	0.7
64.57445	0.8
66.81799	0.7
67.05516	6.0
68.16942	0.8
69.07063	4.0
70.06656	1.1
71.08636	31.1
79.05500	7.2
81.07059	7.4
83.04977	1.7
83.08618	5.5
85.02888	1.4
85.06558	1.2
91.05466	5.5
93.07040	10.3
95.08633	6.4
97.06541	1.5
97.10165	1.2
99.08100	23.0
105.07030	6.5
107.04947	3.5
107.08594	7.0
109.06464	1.0
109.10139	3.4
111.08138	0.9
117.02418	0.8
117.07014	1.4
119.08602	5.6
121.06490	1.0
121.10128	5.5
127.11261	1.0
129.07005	1.2
131.08556	1.3
133.10147	4.3
135.08072	1.1
135.11708	7.6
137.09676	1.0
143.08554	1.8
145.10037	1.4
147.11699	4.6
149.13275	3.6
151.11192	13.8
157.10123	0.9
159.11697	1.1
161.13255	10.7
163.11168	4.6
171.11726	1.6
173.11763	1.2
179.14317	14.3
185.13206	1.3
189.12726	2.0
231.43025	0.8
236.96365	0.9
241.19362	1.0
268.22632	0.9
277.21643	12.3
280.72778	1.0
351.25290	100.0
383.17368	1.0
513.30475	5.7
538.08173	0.9
693.35797	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	693.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31355	0.6
51.03832	0.8
51.09016	0.8
53.00334	0.8
55.05524	3.6
57.03449	1.5
57.08495	0.7
61.02929	1.7
64.90582	0.7
67.05515	7.9
68.96445	0.8
69.07076	7.4
71.04981	0.9
71.08633	29.9
73.02919	0.7
75.25092	0.9
79.05491	10.2
81.03429	1.3
81.07060	13.7
83.04970	1.3
83.08620	4.8
85.02877	2.9
91.03947	1.5
91.05478	7.6
93.07045	14.3
95.04982	3.1
95.08604	8.0
97.06527	1.6
97.10195	3.0
99.08092	25.7
105.07027	7.0
107.04948	4.3
107.08609	10.0
109.10152	7.5
111.08088	1.0
117.06981	2.1
119.08588	7.4
121.10123	7.3
123.08047	0.9
123.11699	1.5
125.09647	1.1
125.73521	1.0
129.07016	2.0
129.21759	0.8
131.08559	1.2
133.10115	7.0
135.11670	8.5
137.09630	1.5
143.08566	1.4
145.10123	1.9
147.11673	8.6
149.13303	6.2
151.11198	19.8
159.11723	1.3
161.09596	1.2
161.13232	11.9
163.11194	7.2
163.14807	3.3
167.10577	1.0
171.11720	1.8
173.11736	4.5
173.13200	3.0
175.14709	2.0
177.12933	0.9
179.14297	13.6
185.13387	1.1
221.15411	1.2
235.16852	1.1
241.19435	4.0
259.20547	1.0
275.67783	1.0
277.21591	16.4
308.49869	0.9
349.16827	1.2
351.25302	100.0
369.26355	25.7
495.28983	0.9
686.78363	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	693.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	2.7
56.86273	1.2
60.10477	1.4
67.05514	16.6
69.07072	6.9
79.05503	7.1
79.73972	1.4
81.03455	2.0
81.07055	25.1
91.05484	7.2
93.07047	13.2
95.08611	27.3
97.02895	6.7
97.06525	1.8
99.08095	2.3
105.07030	19.2
107.08606	21.5
109.10165	83.5
114.60392	1.6
119.08585	28.9
121.06534	2.2
121.10174	16.3
123.11777	4.3
131.08572	14.7
133.06509	12.1
133.10115	16.5
135.04399	11.8
135.08040	3.1
135.11679	10.3
143.08583	3.2
145.10127	39.2
147.08076	2.5
147.11711	16.9
149.05981	19.0
149.13229	11.1
157.10144	14.4
159.08058	6.1
159.11684	17.0
159.12892	1.7
161.09610	2.7
161.13239	12.5
163.07599	2.7
163.11177	2.1
163.14827	1.6
169.10139	7.6
171.11717	14.0
173.09630	7.8
173.13234	19.2
175.11182	21.7
175.14803	17.5
177.12776	1.9
177.16344	1.9
183.11684	2.3
185.13261	10.0
187.11261	1.8
187.14822	59.7
189.12723	2.9
189.16385	2.4
197.13281	6.5
199.11246	2.8
199.14806	8.7
201.16364	3.6
205.16104	1.8
207.11707	1.7
209.13182	2.9
211.11079	1.7
211.14864	3.5
213.12796	2.1
213.16400	7.4
215.14333	43.5
215.17859	1.7
223.14734	2.9
225.12697	2.1
225.16425	7.3
227.17935	2.3
229.15858	6.3
233.15379	25.7
237.16222	2.0
239.14381	1.7
239.17944	3.2
243.17477	1.6
251.17963	2.8
255.17479	1.8
263.62848	1.5
269.18991	2.9
277.19348	2.3
301.06885	12.5
309.22025	1.6
359.27417	6.2
361.25455	2.0
397.27399	3.3
399.30368	6.2
417.31558	25.6
419.29370	1.8
435.32611	39.1
437.30487	10.0
449.71121	1.6
451.31982	2.1
477.33578	54.8
495.34692	100.0
513.29987	1.9
635.63220	1.8
699.90289	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	693.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.7
61.02953	0.5
61.04052	2.2
67.05519	2.9
67.34013	0.4
69.03440	3.0
69.07091	0.8
70.06590	1.3
72.08164	0.5
79.05472	0.6
81.03439	1.3
81.07069	3.0
83.08656	0.7
84.08172	0.7
85.02907	6.5
90.50153	0.4
93.07070	1.1
95.08618	4.5
97.02920	3.5
98.09692	6.2
105.07046	2.2
107.08606	4.9
109.02892	0.7
109.10168	14.4
109.10907	0.8
119.08575	8.5
121.10139	7.1
123.11693	2.9
126.12786	10.5
127.03936	1.2
127.11224	2.1
131.08546	1.1
133.10103	4.5
135.11728	2.6
137.13304	0.7
141.10233	1.1
145.04936	0.9
145.10123	4.0
147.11722	3.1
149.13290	2.1
151.98482	0.6
152.10751	0.8
157.10155	2.7
159.08066	0.7
159.11679	4.6
160.51260	0.5
161.09715	0.6
161.13309	3.0
163.14818	0.7
169.10162	0.7
169.13420	1.2
171.11722	2.8
173.13301	3.5
175.14851	0.6
183.11728	0.7
185.13245	1.2
187.11317	0.5
187.14841	2.0
189.16345	0.8
193.62527	0.5
197.13245	2.1
199.11185	1.0
199.14825	1.0
201.12781	0.8
201.16502	2.5
203.14398	0.6
203.17941	0.6
209.13300	0.8
211.14832	1.2
215.14372	0.8
215.17935	0.8
220.45396	0.5
223.14885	0.8
225.16278	0.6
251.18172	0.7
265.19629	0.8
267.21127	0.7
434.34317	2.0
452.35306	2.6
470.36850	2.2
495.35760	1.1
693.43219	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30577	0.7
58.60127	0.6
60.04490	0.7
85.82029	0.7
93.07069	0.7
110.25832	0.8
135.08069	0.8
147.08005	0.9
155.39404	0.9
204.81616	0.9
286.11520	0.9
429.20779	1.7
435.88409	0.9
443.22922	1.0
444.22867	4.9
457.24008	3.2
458.24991	6.2
459.21555	7.8
472.22610	10.4
473.23251	4.0
476.21860	1.2
485.23410	21.1
486.20190	3.7
486.24716	2.9
488.22189	1.0
497.23026	0.9
503.24393	3.3
513.22766	5.3
514.23566	2.9
514.31287	1.0
515.23981	1.1
517.26050	12.9
529.25909	3.3
545.25519	88.6
573.24933	24.7
605.27588	100.0
694.32745	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	694.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	7.2
55.60458	3.0
57.03450	3.6
57.07077	3.9
57.16064	2.8
61.02923	17.9
67.05511	53.5
69.07068	3.1
79.05482	19.5
81.07065	61.4
83.08624	5.3
85.02906	20.8
91.03955	31.4
91.05473	13.2
93.07052	42.3
95.08607	62.3
97.02895	16.4
105.07048	14.1
107.08592	44.1
109.10155	27.0
117.07002	4.1
119.08578	16.3
121.10134	36.1
123.11700	8.1
127.03938	5.5
131.08571	12.2
133.10121	7.9
135.11700	28.6
139.16940	3.6
145.05008	12.6
145.10159	7.4
147.11691	8.0
149.13266	26.0
151.19882	3.5
159.11679	13.2
161.13249	6.3
163.05991	7.3
163.14868	17.1
167.70427	3.0
173.13286	21.6
175.14847	4.4
177.16524	4.2
186.56271	3.4
187.14853	5.5
243.21098	21.0
261.22162	62.3
264.51239	3.8
302.44553	3.3
335.25702	31.7
353.26843	100.0
440.97687	3.5
497.31226	4.4
503.01807	3.5
710.97308	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	694.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05541	12.0
57.03438	18.9
57.07082	3.1
58.40859	2.8
61.02932	34.7
67.05511	36.7
69.03432	18.2
69.07068	21.8
71.04998	4.7
73.02914	5.0
75.04484	15.7
79.05502	41.5
80.96555	3.2
81.03415	15.7
81.07072	55.4
81.15841	3.2
83.04990	4.7
83.08628	5.7
85.02911	54.1
91.03954	48.1
91.05473	27.1
92.21508	4.1
93.05524	32.3
93.07031	48.4
95.04958	5.9
95.08608	48.0
97.02905	19.2
97.10172	3.5
99.04470	6.2
103.03940	8.1
105.07018	30.2
107.08585	37.0
109.02884	5.1
109.10186	31.0
111.04478	4.1
117.07009	18.6
119.08565	34.6
119.17588	3.1
121.06548	3.4
121.10162	35.9
123.08059	5.6
123.11682	7.7
125.09628	4.0
127.03912	22.1
127.12723	3.0
129.07007	16.9
131.08572	33.2
133.10146	27.8
135.11644	26.9
137.70122	3.4
143.08563	13.7
145.04945	28.8
145.10080	29.8
147.11697	23.0
149.09593	4.2
149.13289	18.0
155.08562	5.5
157.10139	14.1
158.44237	3.4
159.11726	27.0
161.09636	4.8
161.13239	19.3
163.06047	24.8
169.10042	3.8
171.11699	15.2
173.13287	16.4
175.11136	4.3
183.11627	6.3
185.13312	4.7
197.13287	4.4
199.14882	5.5
203.02866	3.5
209.13344	4.6
244.14861	3.4
255.10838	28.4
259.20618	5.1
261.22073	6.4
285.21747	3.8
303.23242	8.0
315.23087	4.0
331.23312	3.6
341.24460	3.9
351.23038	6.6
369.24277	31.4
387.25330	61.1
405.26373	100.0
419.33228	3.8
423.27475	72.9
497.30331	10.7
567.31573	6.2
644.79077	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	694.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.7
57.07096	2.1
61.02933	17.1
66.76208	1.7
67.05511	35.7
69.07072	9.2
73.02930	7.9
76.95950	1.8
79.05494	19.0
81.07066	37.7
83.08635	4.2
85.02910	26.4
91.03970	25.8
91.05492	8.7
93.07038	30.3
95.08605	38.1
97.02891	10.6
105.07027	10.8
105.15587	2.3
107.08604	31.9
109.10158	27.5
113.08334	2.4
119.08573	11.1
121.10132	28.0
123.11713	11.0
127.03937	4.2
131.08586	13.7
133.10124	12.6
135.11713	29.4
137.13286	2.8
145.04959	10.2
145.10159	11.4
147.11708	9.2
149.13240	22.6
150.20134	2.1
151.11278	2.4
159.11624	16.2
161.13225	4.2
163.06050	10.9
163.14821	11.6
173.13255	12.8
175.14801	2.1
187.14824	4.9
243.21034	24.2
247.54153	2.1
261.22165	62.9
335.25842	11.6
341.31537	2.3
353.26843	100.0
536.21741	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	694.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00338	3.5
55.05521	6.2
57.03443	3.8
59.79745	2.6
61.02939	3.2
67.05518	26.8
69.03442	3.8
69.06746	2.8
69.07081	10.8
74.25886	2.6
78.59268	2.6
78.84569	2.4
79.05505	13.4
81.03417	4.0
81.07064	44.2
83.05001	3.8
83.08617	7.1
85.02905	18.0
85.06550	3.4
90.13689	3.0
91.03973	11.8
91.05467	5.5
93.05529	13.4
93.07059	28.0
95.05015	3.3
95.08606	43.9
97.02907	5.4
97.10155	4.0
99.08103	6.3
105.07035	18.2
107.08604	44.8
109.06527	2.9
109.10167	86.9
113.91001	2.9
117.06992	6.1
119.08587	37.4
121.10138	43.0
123.11688	11.7
127.03928	6.4
131.08575	16.3
133.10147	31.9
135.11694	21.4
143.08557	6.9
145.10088	21.9
147.11697	14.2
149.09586	5.1
149.13268	17.0
155.08583	4.5
157.10139	14.2
159.11661	20.8
161.13252	14.1
163.06039	5.3
169.10083	5.1
171.11690	17.3
173.13220	17.7
175.14842	30.8
177.16412	3.4
183.11717	4.0
185.09584	4.0
185.13274	13.0
187.14827	12.4
189.12816	3.4
189.16310	4.5
195.11679	3.9
197.13203	6.0
199.14830	4.1
201.16458	3.5
211.14914	3.8
213.16440	12.5
227.17891	22.5
231.17409	3.8
239.17981	6.8
241.19539	13.6
243.21072	4.9
245.19090	3.6
253.19487	12.8
255.10654	4.5
269.18994	4.9
271.20724	5.0
281.22592	5.1
293.22675	3.8
351.11975	3.5
351.22882	5.3
363.26727	4.2
367.70557	3.4
369.24277	5.5
387.25150	14.4
401.31946	14.3
405.26288	26.0
419.33026	29.4
423.27722	20.4
433.53882	3.0
437.34283	29.2
461.34006	16.1
479.35239	69.0
493.36954	4.5
497.29443	4.7
497.36288	100.0
540.91425	3.5
598.74707	3.3
675.51453	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	694.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32303	2.4
55.05521	2.7
67.05503	19.9
67.64057	2.9
68.92438	2.5
69.03432	6.4
69.07063	15.0
74.30630	3.3
79.05489	3.5
81.07059	22.2
85.02425	2.7
85.02914	15.1
93.07045	15.7
95.08615	52.0
97.02843	3.0
97.10198	3.9
99.08076	3.7
105.07013	21.9
107.08597	36.0
109.10164	93.4
110.04458	3.0
116.55377	2.7
118.00854	2.9
119.08588	48.1
121.10137	28.4
123.11713	17.2
125.09613	4.1
131.08543	12.4
133.10147	26.3
135.11700	11.6
137.09570	3.4
143.08658	5.6
145.10139	34.0
147.11676	24.5
149.13272	14.8
156.62663	3.3
157.10112	14.0
159.11717	33.1
161.13243	16.8
169.10133	6.2
171.11748	23.9
172.35812	4.4
173.13257	18.4
175.14789	10.2
181.10155	3.7
183.11771	14.3
185.13304	13.7
187.14792	21.4
189.16380	11.6
197.13263	7.4
199.11061	2.9
199.14845	11.7
201.16380	14.4
209.13191	3.1
211.14801	6.6
213.16307	6.8
215.18044	5.9
217.15791	3.7
223.14879	4.4
225.16396	12.2
227.17963	6.0
237.16359	16.0
241.19627	4.4
245.18839	3.8
249.16367	3.5
251.17844	15.0
253.19460	14.5
265.19540	4.5
267.17468	3.7
267.21088	3.5
291.21127	6.0
292.22031	3.2
293.22415	4.1
361.28998	3.5
401.31982	47.6
419.33182	100.0
437.34134	21.8
461.34082	14.1
479.35187	81.6
497.36221	45.6
581.37750	6.5
599.39392	5.7
641.40228	5.7
659.41650	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	694.4886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.7
55.05525	1.7
57.03439	2.0
67.05508	7.5
69.07073	3.7
79.05498	6.6
79.56904	0.7
81.07066	17.3
83.08611	2.1
83.99577	0.8
91.05466	3.6
92.21544	1.2
93.07053	9.6
95.04966	1.1
95.08603	9.7
97.10164	1.3
105.07049	5.2
107.08600	7.6
109.06535	1.8
109.10167	4.1
111.04458	15.8
119.08566	7.3
121.10130	7.3
123.08081	1.4
123.11710	1.9
125.06010	4.3
131.08560	3.6
133.10135	6.1
135.08080	3.6
135.11668	5.9
137.05984	100.0
143.08522	1.5
145.10103	1.9
147.11668	7.6
149.09645	5.0
149.13228	2.0
151.07483	1.4
151.11356	1.1
153.15770	0.9
159.11714	1.6
161.09639	7.0
161.13269	5.0
163.11154	4.1
165.09125	2.0
171.11758	1.5
173.13271	1.7
175.11189	4.6
175.14772	1.2
179.10692	3.7
189.12712	1.0
203.18021	5.9
213.16368	3.3
231.17448	7.4
249.18494	4.8
259.20511	1.3
277.18048	19.0
277.21136	2.2
293.20779	0.9
295.19067	3.9
333.24271	3.6
351.21585	13.9
351.25345	8.1
383.24332	1.7
569.38135	5.4
609.41443	13.3
627.42621	38.4
659.45081	3.6
719.11194	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	694.5249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	21.3
57.03443	10.3
67.05507	97.0
69.07079	33.3
71.04985	21.3
79.05500	55.3
81.07065	100.0
83.08623	18.7
91.05498	45.0
91.28159	4.6
93.06557	6.0
93.07057	97.8
95.04967	7.7
95.08614	84.3
97.06554	7.4
97.10158	9.0
105.07034	26.0
107.08612	54.5
109.10155	72.4
114.09776	4.8
117.07006	23.7
119.08587	41.9
121.10120	38.8
123.11667	4.8
125.09635	7.1
131.08537	25.5
133.10115	35.2
135.11641	31.7
137.09601	5.2
145.10126	20.3
147.11678	17.6
149.13324	5.9
157.10095	4.8
159.11650	8.8
171.11702	5.0
173.11797	7.6
173.13194	7.7
180.98837	4.9
205.57799	4.9
227.12753	7.5
229.14282	19.3
261.22113	6.5
275.20166	7.6
335.25916	47.6
489.35922	38.0
529.38977	83.1
569.41931	75.8
609.45435	30.5
627.44983	9.3
641.47766	15.3
687.32281	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	695.1814
Annotation	Cyanidin 3,5-di-(6-acetylglucoside)
Peak:m/z	Relative Intensity
53.72047	0.3
55.01884	0.5
55.64146	0.3
56.06884	0.3
57.03436	0.7
58.70316	0.3
66.22252	0.4
69.03421	1.7
71.05004	3.7
73.02906	0.7
81.03403	3.0
85.02907	7.9
87.00820	1.8
97.02864	1.4
99.04429	0.7
105.01867	0.7
109.02869	2.8
111.04368	0.3
114.09169	0.4
124.98460	0.4
127.03915	3.3
129.05513	0.5
145.04936	0.6
145.88615	0.4
159.02888	1.6
187.71407	0.4
202.71616	0.4
301.07053	100.0
333.74194	0.3
383.02219	0.4
385.40063	0.3
460.93283	0.4
549.12378	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	695.1812
Annotation	Cyanidin 3,5-di-(6-acetylglucoside)
Peak:m/z	Relative Intensity
53.03925	0.3
54.56411	0.3
57.03450	0.4
59.62777	0.4
61.02887	0.4
65.26518	0.3
69.03436	2.5
71.05010	3.7
73.02917	0.4
81.03422	3.0
85.02434	0.6
85.02905	9.3
87.00832	2.4
97.02879	2.0
99.04451	1.8
105.01849	1.5
109.02892	3.6
127.03919	4.1
145.04996	0.7
149.69434	0.4
156.76326	0.3
159.02882	2.0
243.88120	0.4
275.46280	0.4
301.07050	100.0
341.11249	0.4
343.07983	0.5
448.32428	0.4
538.21350	0.4
549.12256	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	695.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
54.08524	0.3
57.09755	0.2
69.03435	3.4
71.04980	2.1
73.02921	0.3
81.03429	5.2
85.02905	4.6
95.36730	0.3
97.02888	6.4
99.04440	0.5
109.02882	4.6
114.88078	0.3
119.03438	0.3
127.03933	4.5
145.10118	0.4
154.04985	0.4
177.05502	0.7
188.86427	0.4
215.09148	4.4
233.10185	1.2
279.12598	2.4
297.13751	2.4
301.07059	100.0
367.17920	2.4
533.16553	7.5
566.42462	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	695.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37187	1.2
53.74710	1.3
61.85878	1.6
75.42113	1.4
79.06040	1.5
97.25400	1.4
107.74093	1.3
114.31327	1.5
121.28870	1.4
144.68472	1.9
223.12343	2.0
225.13647	1.6
237.10286	9.7
239.11885	9.2
246.98381	1.6
249.10286	3.0
250.11026	2.3
251.11871	9.3
253.13460	2.4
265.09824	3.1
274.70090	1.8
277.09744	11.2
279.11307	5.8
298.86423	1.8
300.74664	1.9
337.11893	6.6
377.04498	1.6
445.20239	2.0
446.20966	5.8
459.22797	1.9
460.18732	2.4
461.19669	2.4
473.19855	7.6
474.20813	2.7
487.21280	8.2
488.18549	7.9
489.19577	6.7
491.23315	2.1
497.19553	1.8
501.19113	6.4
502.19904	1.8
504.21964	1.7
505.22372	6.4
515.20557	15.6
516.21582	2.3
519.24231	15.3
531.24237	3.5
533.21674	3.2
543.20520	9.8
547.14709	2.0
547.23370	59.1
557.21704	8.0
575.22900	100.0
591.28027	3.2
593.24646	1.9
603.22504	20.3
617.24750	2.6
617.88000	1.9
635.25000	80.9
636.28015	5.8
653.26282	23.9
677.25995	97.1
695.27374	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	695.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44007	0.8
61.52243	1.0
70.06575	1.1
75.08833	1.2
82.29464	1.1
86.09751	1.0
125.21982	1.1
128.85211	1.0
132.93936	1.0
145.02890	4.5
148.19577	1.1
177.05479	6.7
194.08150	1.3
269.10971	1.1
277.09366	1.2
279.11368	3.9
293.12726	9.4
301.07098	2.3
307.10721	6.5
309.12317	5.4
311.10126	5.2
323.10376	2.3
325.11829	15.1
333.08664	2.3
337.12039	3.9
339.13440	35.0
351.09763	21.3
353.14948	11.3
366.12128	36.3
367.13052	11.7
369.14529	9.3
371.15994	5.5
373.17828	1.5
383.12280	2.1
384.13074	5.8
391.03101	1.3
397.14023	3.7
398.14764	12.5
399.15491	100.0
400.16577	1.5
414.14398	2.0
417.16983	1.8
423.45401	1.1
445.16574	1.7
446.17191	1.8
472.14679	2.5
474.16483	2.4
476.17874	1.9
492.17233	2.2
505.18350	5.2
506.18970	1.8
538.21838	41.1
539.22534	17.7
556.15015	1.8
556.22858	33.1
613.23120	4.3
645.25574	10.3
663.26660	23.2
695.29510	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	695.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97951	3.3
68.52619	4.0
69.07059	9.6
70.06599	7.9
74.23054	3.8
79.74702	3.8
92.21162	9.9
113.17441	4.4
120.08098	10.4
122.05989	9.8
138.05496	4.5
140.07089	53.8
154.08652	5.6
174.05450	7.3
183.41541	4.2
192.10161	4.9
204.06577	4.9
210.21437	4.4
211.86667	4.2
251.11768	4.5
259.10785	4.4
279.11490	4.1
295.10950	9.8
301.06989	6.2
301.11703	7.4
323.10339	8.7
325.11746	17.9
326.12384	4.7
338.13388	4.9
339.13333	22.2
351.09695	8.6
353.11267	9.5
353.15103	7.2
362.20593	5.4
366.12079	32.4
367.12830	25.7
383.12100	5.4
384.13333	5.6
385.13919	10.1
385.43515	5.0
398.14719	9.2
399.15482	23.2
428.15891	7.6
434.16974	26.6
444.15503	9.1
465.18777	5.1
472.14816	9.4
478.19885	7.3
492.17435	9.0
505.18237	6.6
506.19162	8.3
524.20001	7.8
538.21747	98.1
539.22626	42.2
556.23004	56.3
613.22675	17.6
645.16705	5.3
645.25708	100.0
663.26324	52.0
677.28345	33.2
695.28406	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	695.4037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31187	0.6
56.67215	0.7
56.88821	0.7
57.53301	0.7
65.73883	0.8
81.07064	1.2
85.02947	0.8
88.99206	0.8
94.63631	0.7
107.33916	0.7
118.34717	0.9
148.89214	1.0
156.34846	0.8
162.63412	0.7
211.06555	1.2
213.08051	3.2
218.48665	0.8
225.08087	1.4
229.07510	5.2
231.09068	3.2
239.09653	1.0
241.11115	7.1
243.09035	1.6
247.08551	1.9
251.09489	8.8
255.09026	12.4
257.10672	1.8
259.12177	5.9
261.10263	1.4
269.10596	59.5
273.10120	8.2
279.09116	3.8
280.09818	5.5
287.11646	28.4
292.12186	0.8
297.10101	10.1
298.11029	4.4
301.07175	3.8
313.14862	1.3
315.11185	4.9
319.25433	0.9
331.15765	22.7
331.19354	1.2
349.16861	39.9
367.17908	100.0
385.18936	23.5
664.51764	0.8
695.40369	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	695.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54268	0.7
54.49947	0.6
56.65908	0.7
56.96570	1.0
58.56611	0.8
61.91014	0.7
81.07054	1.4
163.17953	1.0
183.32703	0.9
199.06339	1.0
205.07378	1.0
213.08015	2.0
229.07588	2.1
231.08917	1.7
237.07961	1.6
239.09615	1.7
241.11073	6.7
243.09010	1.6
247.08575	1.8
251.09471	11.2
255.09009	13.1
257.10580	1.7
259.12140	8.8
260.09601	0.9
267.09286	1.1
269.10593	62.3
273.10062	8.0
279.09122	5.8
280.09833	6.2
287.11630	30.0
287.14648	1.3
292.12268	1.2
297.10147	9.9
297.13245	1.2
298.11005	4.4
313.14828	2.1
315.11020	3.1
331.15778	22.3
349.16858	45.3
367.17908	100.0
372.18619	0.9
385.18958	21.8
408.20932	1.0
555.19397	1.7
695.40381	95.2
701.04449	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	695.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80927	2.8
55.05518	3.1
66.09669	2.5
67.05504	16.0
69.03429	2.7
69.07062	14.7
73.01554	2.9
79.05505	3.4
81.07070	35.1
85.02922	5.3
91.05470	5.0
92.21311	12.3
93.07051	22.7
95.08607	53.3
97.06499	3.1
97.10156	4.2
105.07030	31.0
107.08602	34.4
109.10158	73.3
111.33942	3.6
119.08585	55.6
121.06458	3.5
121.10137	32.9
123.11726	5.7
131.08595	21.6
133.10149	29.3
135.08061	6.3
135.11700	16.1
143.08594	12.7
145.10133	41.3
147.11699	28.1
149.09689	4.3
149.13245	5.8
157.10158	27.9
159.11729	37.4
161.09689	12.0
161.13242	29.8
169.10172	7.3
171.11742	24.4
173.13289	30.9
175.14833	17.5
183.11722	12.3
185.13245	20.2
185.14775	3.0
187.14838	38.9
189.16393	14.2
197.13416	10.3
199.14833	26.4
201.16412	18.4
203.18004	4.5
209.13168	5.3
211.14809	5.7
213.16406	20.4
215.07152	4.0
215.17924	13.1
217.15886	20.7
223.14827	6.1
225.16324	4.5
227.17979	6.9
231.17450	14.0
237.16243	6.5
239.17955	6.8
241.19490	5.8
245.15765	3.2
251.17906	6.4
253.19276	4.1
263.81451	3.2
277.19565	7.4
279.21185	4.4
291.21033	4.3
293.22632	4.4
340.50861	3.9
361.28967	6.2
379.29697	4.3
401.32013	36.5
419.33118	100.0
437.34140	22.9
461.33981	13.1
479.35248	68.1
497.36472	26.3
641.40009	16.7
659.41541	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	695.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01436	0.3
53.03932	0.4
55.05513	0.7
57.03448	0.8
57.07094	0.6
57.75330	0.4
59.87633	0.3
61.02946	1.4
61.04053	2.4
63.39534	0.3
67.05524	1.8
69.03434	3.4
69.07073	2.4
70.06589	4.5
71.04982	1.4
71.81174	0.4
72.08162	2.0
73.02939	0.7
79.05508	0.6
81.03429	1.6
81.07069	3.5
83.08630	0.8
84.08157	2.3
85.02908	9.7
86.09727	0.8
87.04496	1.0
87.05616	0.4
91.05470	0.7
93.07060	3.2
95.08613	5.2
97.02898	3.8
97.10171	0.5
98.09703	7.9
99.04430	0.6
105.07052	2.3
107.08609	4.5
109.02910	1.0
109.10164	12.8
110.04145	0.4
113.07176	1.5
115.08733	0.7
116.49763	0.4
119.08592	4.3
121.10141	5.1
123.11711	3.2
124.07602	0.7
124.11268	1.8
126.12797	12.7
127.03092	0.4
127.03958	2.2
127.11225	1.5
129.93271	0.4
131.08611	2.5
133.10094	4.0
135.11673	3.5
141.10229	0.6
143.08624	0.9
145.04971	0.9
145.10170	3.0
147.11717	4.0
149.13289	2.6
155.08485	0.6
157.10149	2.2
159.11694	4.4
160.24861	0.4
161.13289	3.6
163.11139	0.5
163.14827	0.7
169.10178	1.7
169.13371	2.4
171.11687	3.6
173.13252	4.7
175.14833	2.0
183.11702	3.1
185.13275	3.2
187.14868	2.4
189.12762	0.6
189.16370	0.6
197.13263	3.1
199.14851	3.1
201.12796	0.9
201.16446	0.8
203.14294	0.5
203.18037	1.8
208.09738	0.5
209.13318	0.7
211.14796	0.9
213.16426	0.8
215.14343	0.9
215.18021	1.7
217.19643	2.4
221.13240	0.5
223.14905	0.7
225.16406	0.7
227.18031	0.6
237.16484	1.6
239.18040	0.6
249.16508	0.5
251.18019	0.9
265.19446	0.7
267.21066	0.7
271.91168	0.4
291.21191	1.5
307.20895	0.5
376.57358	0.4
401.32214	0.5
402.97299	0.4
419.33209	0.9
436.35846	1.8
444.32645	0.5
454.36874	2.4
461.35669	0.4
472.37857	0.8
645.25812	0.5
655.92688	0.5
695.44806	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	12.6
57.03445	4.0
57.07073	10.2
61.02932	28.0
67.05512	57.2
67.41047	2.1
68.60043	2.2
69.03418	2.4
69.07066	28.4
71.08629	3.8
73.02897	3.1
73.85227	1.9
79.05498	5.7
80.57067	2.3
81.07062	75.7
83.08626	24.6
84.68671	2.3
85.02898	33.7
85.06506	1.8
85.10188	3.7
91.03962	34.5
91.05462	10.8
93.07032	18.9
95.08611	94.3
97.02872	19.7
97.06512	4.1
97.10149	17.5
99.08081	2.5
105.07024	10.5
107.08610	16.1
109.10159	54.9
109.45372	2.4
119.08570	9.4
121.10162	28.2
123.11714	23.2
127.03897	3.3
133.10144	18.7
135.11707	14.5
137.09598	3.0
137.13249	10.6
145.04921	9.0
147.11684	16.5
149.13268	8.3
151.14796	4.3
159.67909	2.1
161.13293	22.8
163.06030	15.8
163.14815	11.7
165.16368	5.4
175.14838	16.9
177.16431	4.2
228.19566	2.5
245.22646	45.8
263.23669	100.0
331.56863	3.2
337.27319	67.6
355.28467	82.5
499.32349	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	696.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05531	11.6
57.03440	5.7
57.07079	10.1
61.02937	28.9
67.05515	48.9
69.07078	16.5
71.08637	3.2
73.02932	9.7
79.05498	13.6
81.07068	71.2
83.08626	18.9
83.11568	1.5
85.02913	32.4
85.06603	1.9
85.10175	2.0
91.03965	34.0
91.05482	9.5
93.07043	15.7
95.08616	66.7
97.02893	15.3
97.06516	7.3
97.10162	16.2
99.08102	2.8
105.07057	6.5
107.08597	18.6
109.10161	46.4
111.08078	2.4
111.11735	2.4
113.09644	1.7
115.03844	1.6
119.08607	9.7
121.10151	27.7
123.11708	27.1
125.09648	1.9
127.03925	8.1
127.11209	1.8
133.10132	15.3
135.11713	13.7
137.13252	9.3
141.12743	1.6
145.04933	11.2
147.11694	12.0
149.13283	14.1
151.14822	6.4
161.13222	14.2
163.06018	16.8
163.14781	13.0
165.16367	7.3
175.14888	11.8
177.16306	1.7
179.17982	3.2
189.16412	2.8
193.15907	1.6
205.24905	1.5
217.19453	1.5
227.29388	1.8
245.22630	45.1
263.23709	100.0
263.26563	3.3
281.24664	2.5
337.27432	42.2
337.31506	2.7
340.15274	1.4
355.28464	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	696.416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	13.8
57.03438	7.9
57.07099	12.1
57.07331	1.4
57.48816	1.5
61.02930	28.1
67.05510	57.9
67.81006	1.4
69.07075	27.9
71.04967	1.5
71.08633	10.5
73.02907	8.6
79.05492	13.9
81.07063	97.6
83.05010	1.5
83.08623	31.2
85.02418	2.7
85.02905	36.6
85.10185	2.8
87.44669	1.3
87.73974	1.3
91.03947	33.9
91.05482	13.3
93.07039	21.7
95.07996	3.2
95.08606	95.0
97.02879	17.9
97.06524	10.4
97.10163	20.0
99.04469	1.7
99.08098	3.7
105.07037	7.9
107.08601	20.6
109.02931	1.4
109.09435	2.6
109.10160	52.9
111.08090	2.9
111.11704	2.9
119.08585	13.1
121.10133	29.5
123.11699	36.7
127.03938	14.1
133.10126	26.9
135.11702	15.6
137.09599	2.8
137.13254	13.7
141.12903	2.0
143.69235	1.5
145.04935	12.4
147.11649	14.7
149.13251	16.9
151.11220	2.1
151.14806	10.0
161.13254	20.0
163.06012	19.3
163.14827	19.1
165.12735	2.1
165.16365	11.6
168.88011	1.4
175.14825	16.4
177.16405	3.4
179.17897	2.4
181.15837	1.8
189.16359	8.0
197.71378	1.8
245.22626	54.8
263.23694	100.0
281.24747	6.9
337.27362	77.6
355.28427	71.0
397.56537	1.6
499.32748	17.2
631.53680	1.7
655.19543	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	696.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44904	1.9
55.05517	4.3
67.05504	21.7
69.03434	3.8
69.07072	17.3
79.05495	8.4
80.71339	1.8
81.07060	40.1
83.08617	3.4
85.02913	8.2
91.05443	3.7
93.07042	21.9
95.08610	50.7
97.06544	3.6
97.10158	8.2
105.07042	23.5
107.08603	40.5
109.10154	100.0
117.06966	2.4
119.08578	41.6
119.16011	2.4
121.10134	43.4
123.11686	19.6
125.09644	9.5
126.33288	2.1
131.08617	15.6
133.10124	22.4
135.11694	25.0
137.13248	5.0
143.08575	4.4
144.38622	2.3
145.10126	34.6
147.11682	34.8
149.13258	19.1
155.08630	2.0
157.10095	24.2
159.11674	36.9
161.13240	30.5
163.14799	13.9
169.10120	5.1
171.11707	20.1
173.13251	42.2
175.14816	26.5
177.16388	9.7
183.11650	3.4
183.27151	2.1
185.13214	14.4
187.14813	30.9
189.16411	13.4
197.13257	6.6
199.14816	20.4
201.16434	33.7
203.17932	14.2
209.13301	2.5
211.14836	9.8
213.16360	13.2
215.17929	18.1
217.19397	7.5
217.46904	2.6
225.16371	4.1
227.17885	11.5
229.19566	7.9
231.21074	2.9
237.16397	2.1
239.17912	8.4
241.19464	11.5
243.21107	5.1
251.17950	4.1
253.19519	8.4
255.21034	8.4
259.20538	4.7
267.21005	14.4
269.22534	2.6
293.22614	4.7
295.24261	4.6
297.22156	3.3
347.27414	3.8
350.19446	2.4
355.26413	3.5
363.30533	4.0
393.35086	11.1
403.33536	72.7
421.28967	4.0
421.34647	93.2
463.35718	40.5
481.36749	62.5
583.39777	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	696.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20501	4.5
55.05516	6.1
60.49682	4.0
66.37173	4.1
67.05503	25.6
69.03441	4.8
69.07066	23.9
71.04990	10.8
81.07065	28.8
85.02901	10.0
91.05456	4.6
93.07045	21.0
95.08598	46.9
105.07018	8.5
107.08599	33.8
109.10156	99.0
116.00091	5.1
119.08571	28.1
121.10138	33.0
121.10937	5.1
123.11687	9.0
126.65716	4.6
133.10143	27.1
135.11696	12.2
143.08603	5.8
145.10112	29.9
147.11696	26.8
157.10130	11.5
159.11708	24.6
161.09567	8.7
161.13200	22.4
163.14857	5.9
169.10219	5.9
171.11656	11.4
173.13223	30.5
175.14827	9.6
177.93761	6.3
183.11678	6.1
187.14856	19.6
197.13231	6.2
199.14798	7.5
213.16405	7.1
213.38696	4.9
223.14757	7.8
227.17908	8.4
237.16280	9.3
239.17822	10.0
247.36531	5.9
314.84341	5.0
401.32047	19.9
419.33038	64.0
437.34448	10.3
479.35272	100.0
497.36185	34.7
565.38770	10.9
625.40918	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	696.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59266	3.4
67.05513	37.4
69.03417	6.9
69.07059	5.1
72.97886	3.9
81.07062	42.9
85.02901	35.0
91.05512	5.2
93.07051	10.0
95.08624	52.7
97.02885	9.4
98.95938	4.1
105.07031	18.1
105.39365	3.7
107.08602	51.5
109.10157	100.0
119.08578	24.5
121.10149	25.9
123.11681	17.5
125.09653	7.3
127.03967	8.9
133.10156	21.9
135.11684	9.3
143.08553	7.5
145.04976	4.2
145.10155	42.5
147.11699	22.5
149.13239	8.8
157.10060	8.4
159.11691	22.5
161.13245	27.3
163.14896	5.7
170.10686	4.1
171.11687	17.8
173.13278	33.4
175.14833	18.3
185.13278	24.5
187.14854	15.6
198.41457	4.2
199.14833	8.5
201.16393	53.8
203.17982	8.7
213.16368	6.7
215.18123	4.4
217.15831	5.0
227.17960	6.1
239.17912	5.8
253.19366	4.6
255.20982	6.8
263.23779	4.9
295.24326	7.1
341.18167	4.7
355.28732	5.8
373.34668	4.5
421.34708	88.7
439.35980	47.6
481.36719	36.4
499.37811	22.8
583.40106	37.3
643.42059	7.5
696.46112	8.8
729.56354	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	696.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93500	2.2
55.05521	3.2
58.36199	2.1
61.02934	2.3
65.10258	2.3
67.05518	24.5
69.03426	2.9
69.07063	14.3
69.47714	2.9
71.05016	2.6
81.07068	33.5
82.65775	2.5
83.08595	5.3
85.02907	13.7
87.53500	2.5
91.05500	3.9
92.21208	2.7
93.07043	20.0
95.08605	56.4
105.07042	24.2
107.08590	47.9
109.10162	100.0
109.10909	4.6
111.11701	2.5
119.08594	40.7
121.10138	35.3
123.11721	20.9
127.03882	3.3
131.08575	15.0
133.10117	30.4
135.11679	13.1
137.13283	2.9
143.08571	4.2
145.10143	31.4
147.11671	32.6
149.13246	15.9
149.14345	2.4
157.10123	10.8
159.11684	36.5
161.13269	27.1
163.14841	9.7
169.10124	3.5
171.11720	9.5
173.13229	26.6
175.14812	15.7
177.16389	3.1
183.11668	3.6
185.13232	5.9
187.14806	26.4
189.16391	9.5
191.14362	3.3
197.13118	3.0
199.14848	18.1
201.16379	31.6
203.17946	14.0
213.16399	6.0
215.17928	14.7
217.15866	3.0
217.19501	3.8
219.17574	3.3
225.16441	11.2
227.17979	4.0
229.19475	3.3
239.17937	4.3
241.19374	3.5
243.20930	3.0
253.19405	3.8
255.21098	4.4
265.19501	4.6
267.21005	12.8
281.03107	2.6
295.24347	4.2
365.28210	4.6
403.33569	47.4
421.34668	92.4
439.35541	44.8
463.35507	13.9
481.36783	10.9
583.40002	11.6
601.40710	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	696.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	11.6
66.23057	5.1
67.05508	30.6
68.77818	5.5
69.07062	27.5
81.07052	45.6
83.08631	8.5
85.02916	9.8
91.05457	6.2
93.07053	27.6
95.08608	49.2
105.07019	14.5
107.08595	54.5
109.10172	100.0
119.08588	52.4
121.10116	52.8
123.11713	9.3
127.03957	7.9
131.08551	11.5
131.60120	7.7
133.10147	45.5
135.11693	23.5
145.10081	42.5
147.11694	45.0
149.13277	11.9
157.10184	13.8
159.11682	34.5
161.13255	36.5
163.14809	8.0
163.25089	6.5
169.10143	8.0
171.11693	28.0
173.13293	49.2
175.14795	39.9
177.16385	12.4
185.13277	8.7
187.14842	24.3
197.13264	7.3
199.14845	7.6
201.16435	31.1
209.13181	6.8
211.59554	6.5
213.16348	24.1
215.17950	27.1
225.16394	14.3
227.17928	27.6
229.19571	12.3
248.94600	6.8
253.19478	10.4
293.22977	9.3
315.19418	6.6
365.28372	7.7
403.33597	94.3
421.34811	94.0
462.38147	6.6
463.35776	71.3
481.36655	99.1
583.39917	12.6
611.89398	7.4
643.41937	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	697.161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
55.01875	1.4
61.02897	0.3
62.46642	0.2
65.54868	0.2
68.99770	0.3
69.03095	0.3
69.03437	4.4
71.04971	0.3
73.02913	0.5
73.88517	0.3
79.32250	0.2
81.03427	6.7
85.02432	0.4
85.02908	8.4
87.00832	3.6
91.03992	0.4
97.02896	3.6
99.04432	1.7
102.86274	0.3
105.01895	2.5
109.02885	5.0
117.01823	0.3
127.03925	7.4
129.01888	0.5
145.04980	2.6
152.38559	0.3
154.34198	0.3
159.02884	3.1
208.09732	0.4
213.03931	0.4
231.04948	1.0
234.98969	0.2
287.05490	100.0
329.06577	0.4
363.15164	0.3
405.37415	0.3
449.10773	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	697.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05533	1.1
80.03218	1.1
81.07071	1.1
91.37760	0.9
105.07106	1.0
114.63940	1.1
194.01781	1.1
273.98767	1.1
469.18860	5.8
513.17664	14.2
519.16742	4.5
525.47394	1.1
600.21747	1.9
605.20343	2.2
606.20764	4.3
607.21545	4.9
615.24323	9.2
643.23773	1.2
644.46179	1.2
669.25763	1.7
697.24799	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.5212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51074	0.4
55.56813	0.5
58.86395	0.5
66.12685	0.4
69.07076	2.8
69.27971	0.5
70.06565	0.8
74.89509	0.6
77.46787	0.6
82.87480	0.5
85.11292	0.6
96.08131	17.6
96.08734	1.0
113.10759	8.1
114.09164	59.1
115.07592	1.0
132.10223	3.1
155.37889	0.6
164.77405	0.6
208.18027	0.8
209.16490	27.1
210.14938	2.4
223.40378	0.8
226.19138	8.9
227.17520	17.6
228.15947	31.2
245.18576	8.8
283.25085	0.6
317.06644	1.1
321.26642	0.9
322.24902	17.2
339.27621	3.1
340.25970	12.5
341.24316	10.5
358.26990	7.6
435.33499	4.3
453.34229	9.6
454.32980	3.3
471.35257	5.9
543.93604	0.7
548.42279	0.9
566.42670	6.2
584.43866	3.6
655.15735	0.6
679.50555	5.9
697.26752	2.8
697.52222	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.5212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51074	0.4
55.56813	0.5
58.86395	0.5
66.12685	0.4
69.07076	2.8
69.27971	0.5
70.06565	0.8
74.89509	0.6
77.46787	0.6
82.87480	0.5
85.11292	0.6
96.08131	17.6
96.08734	1.0
113.10759	8.1
114.09164	59.1
115.07592	1.0
132.10223	3.1
155.37889	0.6
164.77405	0.6
208.18027	0.8
209.16490	27.1
210.14938	2.4
223.40378	0.8
226.19138	8.9
227.17520	17.6
228.15947	31.2
245.18576	8.8
283.25085	0.6
317.06644	1.1
321.26642	0.9
322.24902	17.2
339.27621	3.1
340.25970	12.5
341.24316	10.5
358.26990	7.6
435.33499	4.3
453.34229	9.6
454.32980	3.3
471.35257	5.9
543.93604	0.7
548.42279	0.9
566.42670	6.2
584.43866	3.6
655.15735	0.6
679.50555	5.9
697.26752	2.8
697.52222	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.6
55.05502	1.8
55.08796	1.5
55.88857	1.1
57.08610	1.0
57.34076	1.5
62.35383	1.2
64.66733	1.4
66.44442	1.3
69.03421	5.5
69.07075	26.8
70.04189	1.3
70.06589	3.0
71.05019	1.5
72.08135	1.4
73.06541	1.6
79.05499	7.0
81.07059	6.0
83.04984	16.8
84.08139	2.0
85.02907	3.1
86.09705	1.7
91.05466	6.6
91.06001	1.4
93.07057	12.6
95.04978	2.4
95.08639	1.7
97.02918	1.8
97.06535	61.2
99.04452	30.8
102.78416	1.6
105.07037	19.5
107.04984	5.7
107.08606	12.9
109.06513	8.3
115.07585	2.4
117.07014	2.1
119.04934	10.5
119.08579	5.5
120.08074	1.9
121.02969	1.6
121.06517	28.5
125.05995	61.1
127.03901	1.9
129.07039	1.9
129.10226	1.8
131.08533	6.5
131.47871	1.3
133.06503	8.1
133.10150	5.4
135.04387	1.7
135.08037	1.7
135.11710	3.4
137.05983	13.1
139.07524	1.8
143.07042	33.7
143.08548	3.3
145.06448	5.1
145.10126	70.6
147.04471	2.0
147.11679	6.8
151.07541	8.9
159.08044	8.2
159.11690	33.1
163.07576	2.4
163.11171	60.1
164.07008	2.0
169.10022	13.9
171.11693	2.1
173.08064	2.9
173.09608	83.7
175.07571	2.2
177.05510	6.3
177.12807	3.0
179.08476	2.4
187.11177	100.0
191.10677	29.7
197.09599	11.7
205.12248	59.7
208.09682	2.8
215.10667	73.7
228.05441	2.3
233.11707	49.5
251.12776	38.8
258.16519	1.4
259.10953	2.1
269.13806	22.0
270.06589	1.8
287.05475	1.6
301.11789	1.9
307.15607	4.4
319.12872	2.0
325.16495	27.6
343.17499	97.6
409.15015	1.8
427.15955	15.8
483.18094	5.3
501.19693	12.8
519.20538	7.1
615.02502	1.5
680.26746	2.6
698.27026	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	698.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	4.6
57.03445	3.0
58.77995	3.5
61.68190	2.8
66.88643	3.0
68.23880	2.7
69.03403	3.7
69.07059	21.7
70.06592	13.0
72.08153	3.4
76.61039	2.8
79.05501	7.4
81.07057	5.8
81.81855	3.2
83.04979	6.7
84.08153	14.7
85.02910	6.2
86.09692	5.5
91.05450	7.3
93.07046	7.5
93.41705	3.4
95.08617	4.9
97.06531	60.9
99.04460	25.0
105.07021	18.5
106.96249	3.2
107.04954	6.3
107.08570	7.2
109.02850	4.5
109.06490	3.8
111.08057	3.8
118.34624	3.4
119.04924	4.2
119.08611	3.8
121.06513	23.9
121.10117	4.2
124.61909	3.5
125.05996	49.0
127.03925	3.3
129.10262	7.4
129.87918	3.1
131.08569	3.9
133.06479	6.2
135.11717	4.3
137.05966	7.2
141.01820	3.5
143.07060	25.3
145.10118	67.8
147.04340	6.0
159.11632	22.2
161.05533	3.4
163.07468	4.9
163.11166	81.2
169.10094	12.7
171.11539	3.5
173.09599	100.0
177.05458	7.0
177.12695	4.2
181.12244	17.5
186.87000	3.1
187.11150	69.7
191.10670	27.4
197.09659	14.7
205.12212	50.5
207.57518	3.0
208.09735	7.8
215.10655	42.9
227.12694	4.3
233.11691	52.8
251.12735	46.2
269.13861	12.9
292.40594	3.5
325.16428	29.2
343.17487	72.6
352.56082	3.2
427.16003	13.6
483.18439	4.3
501.19458	15.0
519.21234	10.8
529.20001	3.9
698.27045	16.2
698.38885	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	698.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	8.6
55.05737	1.1
57.03436	2.4
57.07087	9.0
61.02934	14.2
61.99557	1.2
67.05521	17.6
69.03422	1.2
69.07075	24.0
71.04991	1.2
71.08630	6.6
72.64880	1.2
73.02912	5.5
73.74883	1.2
79.05496	5.0
79.94675	1.2
81.07061	32.3
83.08623	32.5
85.02900	24.6
85.10183	5.2
89.76554	1.1
91.03960	21.7
93.07043	11.7
95.08607	36.1
97.02911	12.3
97.06541	4.7
97.10173	20.5
107.08594	11.0
109.10150	21.1
111.08093	6.8
111.11674	9.4
112.97813	1.1
121.10144	34.5
123.11697	8.3
125.09625	2.8
127.03928	8.0
135.11708	31.7
137.13290	1.6
145.04962	8.4
149.13217	13.5
151.14832	1.8
153.12738	2.1
163.06001	9.6
163.14807	5.3
165.16432	2.1
177.16380	1.8
178.86162	1.3
187.41910	1.2
188.95226	1.4
247.24269	19.4
265.25256	34.8
283.26263	7.9
298.10269	1.4
325.11188	1.8
339.28940	52.9
353.72012	1.5
357.30002	100.0
651.37170	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	698.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91187	1.2
55.05515	8.8
57.03450	2.4
57.07083	10.8
59.26713	1.5
61.02938	15.0
67.05511	17.0
69.07070	26.3
71.08620	8.0
73.02912	7.5
78.96796	1.3
79.05491	7.4
81.07069	31.2
83.08625	30.8
85.02916	29.4
85.06557	1.5
85.10175	2.7
91.03959	20.5
92.09608	1.6
93.07045	12.6
94.97421	1.5
95.08611	36.9
97.02874	6.0
97.06525	8.3
97.10174	25.4
99.08128	2.8
99.50002	1.7
103.56479	1.3
107.08612	13.3
108.40034	1.4
109.10149	19.6
111.08075	5.7
111.11751	9.1
121.10139	33.3
123.11726	9.9
127.03909	8.9
135.11696	26.5
137.06012	1.6
137.13232	1.6
139.11174	5.9
145.04987	7.0
149.13245	12.4
151.14795	3.1
153.12752	2.1
163.06030	8.5
163.14862	5.7
165.16290	2.5
191.17961	1.8
205.19582	1.5
244.60852	1.7
247.24161	22.1
258.49649	1.4
265.22702	1.9
265.25290	33.1
283.26376	6.1
298.70392	1.5
331.13306	1.6
339.28952	58.7
357.30008	100.0
501.34091	6.9
698.27734	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	699.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
119.71217	1.1
134.31332	1.2
328.91550	1.1
348.38199	1.4
356.17303	1.2
400.15356	1.8
429.19360	2.3
451.14813	1.8
455.17096	13.8
456.17673	1.6
473.18115	2.1
479.18268	2.5
480.18689	1.9
482.15500	2.2
483.16592	26.0
493.16458	8.9
499.16092	4.7
508.18546	44.2
519.16998	1.4
521.18878	1.9
523.15472	1.9
527.15607	68.3
528.15662	6.4
536.17603	2.6
537.17499	4.3
538.18475	2.5
539.19672	1.9
542.21295	1.2
569.20667	1.8
571.21838	6.8
586.20166	1.8
629.22314	17.3
630.22217	5.5
655.25104	64.1
657.21942	100.0
658.22321	15.1
662.23016	1.3
699.23602	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	699.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
61.58411	0.7
71.53056	0.7
82.46865	0.9
92.18969	0.8
94.45233	0.8
129.03944	0.8
137.35150	0.9
180.10832	0.8
202.11581	0.9
297.16052	1.5
311.13931	1.7
366.27905	1.0
452.22162	1.3
465.22739	7.0
466.23996	1.7
475.21494	1.3
489.19501	1.1
493.22293	4.4
509.21722	1.4
521.21588	2.0
524.24359	12.5
525.25293	17.6
535.21051	1.0
537.21594	3.8
539.22894	13.2
551.22388	3.7
552.23749	1.8
553.24426	36.4
556.23053	7.9
565.20392	1.2
580.22601	1.0
583.22205	5.5
597.23364	16.7
607.21594	3.6
611.24597	8.5
612.25873	15.6
667.25000	5.2
687.17633	0.9
699.26599	100.0
699.42542	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	699.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
65.40757	0.9
67.05500	1.1
70.06602	2.4
75.62834	1.2
84.08154	1.8
85.95625	1.1
86.09721	1.4
106.29514	1.0
110.06026	1.4
122.05991	1.5
134.09616	1.2
136.07588	1.8
137.05940	1.6
138.05544	7.7
140.07082	8.1
147.04420	5.5
154.05003	41.7
154.08594	2.6
160.07574	6.0
162.09146	7.8
169.69936	1.1
177.05478	5.4
180.10167	13.3
182.56369	1.1
202.08574	2.0
204.06586	1.2
207.11339	1.1
208.09709	28.1
209.09901	1.5
218.08141	26.9
220.09711	4.5
236.09183	5.3
246.07573	8.3
250.10715	30.3
263.07794	2.0
264.08694	5.0
275.10291	5.4
276.08725	4.7
279.11438	1.4
286.07114	7.8
293.08954	12.8
303.09753	6.9
307.10675	2.3
311.10013	1.2
315.13358	1.3
321.12399	2.4
325.11697	5.4
327.13339	2.1
335.10294	1.4
337.11871	1.9
338.08945	1.7
339.13391	10.6
353.11304	100.0
354.12286	1.4
355.12866	15.3
357.10779	6.3
365.11301	5.1
365.15857	1.5
369.14612	1.5
375.15503	4.8
380.59256	1.3
385.13959	21.3
401.13779	1.4
407.18137	9.9
456.15479	4.3
460.17221	1.8
474.16379	1.9
492.18228	5.8
506.19092	1.8
510.18628	17.6
524.20282	13.9
528.19427	1.4
542.21338	36.6
613.22351	4.3
631.23816	4.6
649.24896	16.2
663.25452	1.5
667.26178	21.0
677.67352	1.2
681.27527	14.9
688.52740	1.3
699.28607	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	699.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46829	1.6
54.18375	1.7
82.77027	2.0
87.17661	2.2
88.43836	2.0
93.07031	2.1
104.61904	2.2
131.36890	1.9
132.78044	1.9
136.06195	20.2
237.13988	2.8
462.20212	2.0
469.18961	2.0
473.19733	2.2
477.19431	2.6
488.22351	2.7
489.18976	2.9
501.19254	2.7
503.16980	2.4
515.20361	3.0
533.21747	2.8
549.21881	2.3
565.25067	6.9
609.23431	3.9
635.24988	24.7
649.26727	2.8
653.26074	2.3
667.27704	66.6
671.30621	10.2
699.29681	100.0
699.43976	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	699.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04491	2.5
79.05522	1.3
84.05434	1.4
94.12518	1.4
134.06039	7.3
228.03128	1.5
255.15091	1.8
268.69128	1.7
290.96033	1.5
326.12769	1.7
380.13599	2.3
427.91791	2.0
450.73727	1.8
461.19278	2.2
471.18576	3.5
473.19858	3.3
487.21353	2.9
489.19189	2.0
501.19287	2.2
505.22150	7.2
514.18140	1.8
515.17303	12.7
519.19843	2.2
533.21826	3.1
547.23096	8.7
596.22736	1.8
602.21936	2.6
617.24976	11.5
635.24792	3.5
639.28717	2.4
649.26563	14.6
667.27673	82.1
699.25592	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05525	1.3
75.04482	1.6
76.57249	1.5
84.72842	1.3
85.43663	1.5
134.06023	9.8
136.06126	1.9
161.04219	1.6
372.17273	2.0
433.20560	1.7
473.19611	2.6
487.21503	2.9
489.19174	2.0
491.20471	2.6
501.19525	1.8
515.20514	6.3
519.20142	1.6
533.21997	2.9
547.23187	6.7
548.23901	1.7
551.26434	1.9
575.23242	2.0
592.22632	2.1
617.23608	2.3
649.26031	9.7
667.27740	54.2
681.29352	2.1
699.30450	100.0
699.43561	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	699.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03273	0.4
57.48827	0.4
90.42173	0.5
100.12170	0.4
119.08595	3.0
167.79634	0.5
209.10875	0.9
212.13200	1.1
223.12352	2.2
224.09531	2.3
224.13170	3.0
225.10373	0.6
225.13835	6.3
225.15596	0.5
226.14682	3.2
227.15497	1.0
239.11800	0.9
251.11845	3.3
252.12642	2.9
253.13342	15.9
255.11301	0.9
269.13010	0.8
279.11224	1.0
280.08597	0.6
281.12964	0.7
285.12311	0.5
291.07819	0.7
297.09109	0.6
297.12317	0.8
307.07214	1.0
311.10400	0.6
329.11462	2.3
339.09827	0.8
365.07928	1.0
427.55731	0.5
471.18536	0.5
473.19876	0.7
477.19138	2.1
486.20636	0.7
487.21692	1.0
490.19327	0.7
491.20438	0.7
493.22644	0.5
497.19540	0.7
501.18726	1.0
503.17545	0.8
505.22339	2.2
507.20413	0.9
513.15503	1.0
514.20062	1.1
515.21100	4.0
521.21729	1.9
525.19287	0.7
527.17297	2.6
529.22681	3.6
531.20435	1.1
532.21240	2.1
533.21674	5.5
537.24927	0.9
542.19470	4.8
543.20422	4.4
547.23615	1.0
549.21118	1.1
557.21924	8.9
558.22644	1.9
559.19672	0.8
561.22491	0.6
565.24719	1.0
573.25464	3.6
575.22992	0.7
585.21570	3.0
602.22113	0.6
615.59259	0.6
617.24017	6.4
649.26563	17.3
667.27667	100.0
699.30005	2.0
699.43085	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	699.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88231	1.2
81.07062	1.6
88.35470	1.1
149.87160	1.6
161.33702	1.3
173.67134	1.2
195.05571	1.3
219.52551	1.4
237.13727	5.5
295.14288	1.6
398.07843	1.6
430.72888	1.5
471.21786	5.7
473.19592	8.4
474.20496	1.7
475.21286	3.2
486.16791	1.8
487.21677	12.2
488.21808	7.9
499.21060	6.3
501.18961	18.8
502.19800	3.0
515.20959	22.4
516.21820	15.6
517.22058	6.3
533.21747	11.4
543.20258	3.0
545.18195	1.5
547.22791	6.8
575.22760	7.1
579.25323	2.1
607.25385	1.8
617.02563	1.4
635.24951	100.0
640.52417	1.4
667.27673	30.4
699.19104	1.7
699.29718	40.0
699.43506	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	699.302
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95919	0.7
64.15799	0.8
64.59586	0.8
66.72590	0.8
134.05956	0.9
178.04922	1.3
178.68919	0.8
241.13278	1.0
318.41074	1.0
422.61124	1.0
471.21750	3.7
477.92490	1.0
489.19577	1.9
491.20917	1.6
498.20129	5.4
499.21585	18.7
512.18420	1.0
515.20728	5.0
516.21448	2.2
517.21924	5.1
520.02142	0.9
526.20087	10.8
527.20764	12.1
531.19977	1.2
531.72107	0.9
533.21466	1.2
542.23230	6.6
543.20105	1.3
549.24811	1.1
558.22699	2.0
559.23413	3.4
565.24426	1.2
585.21436	1.3
586.21899	12.6
617.24127	6.5
649.26605	16.7
667.27606	100.0
691.39282	1.2
699.30151	1.4
699.43530	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	699.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
60.60484	0.4
61.77150	0.4
62.52914	0.4
76.51521	0.4
95.98212	0.4
142.40247	0.4
143.71680	0.4
153.78685	0.4
185.04271	0.6
203.05287	0.4
259.08041	0.8
259.31580	0.5
270.51541	0.4
347.09467	2.0
352.32471	0.5
537.30328	29.2
606.18359	0.6
692.24200	0.5
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	699.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57524	0.9
64.34257	1.2
92.48164	1.2
136.10812	1.2
204.43257	1.2
245.55904	1.2
277.08939	61.4
290.26831	1.8
303.06937	1.3
335.35007	1.3
562.08325	1.5
639.38721	2.3
699.35498	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28550	0.6
60.31061	0.7
90.29533	0.6
178.75836	0.7
203.05284	2.6
244.94643	0.7
248.87932	0.7
259.08047	1.1
324.21964	0.7
347.09537	2.8
365.10416	7.1
421.13397	1.1
500.56967	0.8
509.19016	1.5
510.09784	0.8
510.17438	3.8
517.01007	0.7
523.82349	0.9
537.30310	27.0
597.22046	0.9
656.25470	3.6
657.23523	5.7
699.35516	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	699.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46848	0.3
66.25954	0.3
66.62379	0.4
67.32746	0.3
69.07082	0.4
70.09325	0.3
76.73837	0.3
92.20970	0.6
95.08601	0.4
105.07069	0.4
109.10199	0.8
191.23045	0.4
197.85428	0.4
201.03793	1.5
276.14572	0.4
424.36746	0.7
437.62256	0.4
472.26288	0.5
639.38861	7.0
667.25555	0.5
699.40790	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.4348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31086	0.8
50.78009	0.9
63.87091	0.8
65.51697	0.9
68.05394	1.1
95.17204	1.0
136.07169	1.0
150.22939	1.3
157.95760	1.0
177.62277	1.1
213.08022	1.6
219.25594	1.1
229.07413	7.5
241.11176	6.4
247.08556	2.4
251.09471	11.7
255.09061	2.3
259.12274	6.4
269.10593	69.9
273.10025	1.3
287.11646	33.0
333.17355	17.3
351.18402	41.5
365.84702	1.3
369.19464	100.0
387.20575	33.8
688.79205	1.7
699.43420	94.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.4348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31086	0.8
50.78009	0.9
63.87091	0.8
65.51697	0.9
68.05394	1.1
95.17204	1.0
136.07169	1.0
150.22939	1.3
157.95760	1.0
177.62277	1.1
213.08022	1.6
219.25594	1.1
229.07413	7.5
241.11176	6.4
247.08556	2.4
251.09471	11.7
255.09061	2.3
259.12274	6.4
269.10593	69.9
273.10025	1.3
287.11646	33.0
333.17355	17.3
351.18402	41.5
365.84702	1.3
369.19464	100.0
387.20575	33.8
688.79205	1.7
699.43420	94.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.4801
Annotation	1,2-dioleoyl-sn-Glycero-3-Phosphate
Peak:m/z	Relative Intensity
52.69581	0.5
53.30976	0.5
55.05489	0.7
57.03828	0.6
62.65147	0.6
67.05514	1.6
67.90296	0.7
68.31474	0.6
70.37806	0.6
70.64992	0.7
71.04374	0.7
79.05495	0.9
81.07073	3.0
93.07066	1.2
95.08603	3.4
98.43124	0.7
102.32048	0.7
102.86275	0.7
193.61249	0.7
308.36450	0.7
345.80884	0.7
365.23035	7.7
421.25946	1.1
508.17212	0.8
612.99426	0.8
667.28455	1.3
699.48077	100.0
729.12860	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	700.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
62.33972	1.2
65.42780	1.5
79.05444	1.4
79.92020	1.3
105.14858	1.5
120.77328	1.6
136.06186	1.6
165.33508	1.6
290.26990	5.5
381.87573	1.8
413.16782	1.7
440.18307	7.8
454.19693	6.4
455.20905	9.9
468.18060	5.6
479.20627	8.2
481.18265	1.6
486.19193	6.2
495.20810	9.9
496.21500	2.0
497.21652	3.2
499.19830	2.9
500.20798	11.6
508.17123	3.1
509.18237	2.2
511.16031	11.1
512.16431	18.5
513.22333	28.7
522.19153	1.7
523.19775	100.0
524.20050	34.1
525.17316	12.0
526.18280	2.6
527.19141	26.4
528.19623	28.7
541.20911	83.7
545.20215	9.3
555.18433	2.0
566.17706	8.2
572.22534	18.7
599.20972	7.2
600.12946	2.4
600.21619	42.2
627.20886	82.4
631.24023	2.1
645.21741	27.7
659.23279	40.1
660.23828	6.4
668.23596	2.2
677.24274	2.9
700.26935	2.9
700.44537	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	700.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84188	0.4
69.03420	1.1
70.06580	1.1
72.08160	0.5
78.40725	0.5
81.03433	0.6
85.02913	5.2
86.09686	0.4
91.05505	0.8
97.02874	0.8
99.04460	0.4
105.07037	2.6
109.06524	0.8
111.80888	0.4
115.05418	0.5
119.08555	0.7
122.03660	0.7
127.03954	0.7
129.06934	0.6
133.06496	4.1
137.05974	100.0
147.04323	1.5
147.07999	1.1
149.05983	1.7
151.07529	2.3
157.06516	0.5
159.08084	1.1
160.05333	0.6
161.05969	19.9
163.07501	0.6
172.05165	0.9
175.07523	28.6
177.09097	0.5
179.07002	0.7
185.05923	0.7
187.07542	15.3
189.09134	2.0
191.08560	1.1
199.07549	6.3
202.07968	0.5
217.08559	1.1
219.08020	8.8
230.82942	0.5
231.08057	2.9
233.09639	0.7
235.09534	0.5
236.08485	0.6
247.07484	9.2
247.84071	0.5
248.08269	0.8
250.48758	0.5
251.10651	41.4
253.12326	0.9
259.07391	3.4
260.08191	0.8
261.09085	0.8
263.10681	4.5
264.07849	1.9
276.07886	0.7
277.08649	0.6
279.10147	26.0
279.13248	1.0
280.10928	1.8
281.11658	0.5
283.13412	0.7
291.10214	9.6
292.10931	2.8
295.13205	0.8
296.10416	2.8
297.11121	0.6
308.10226	0.9
311.12753	54.2
313.14267	0.9
323.12750	24.5
341.13843	18.0
446.67023	0.5
473.18134	1.0
485.17279	0.5
491.18774	0.7
503.19080	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	700.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37494	0.5
56.66917	0.4
67.10394	0.5
69.03429	0.7
70.06588	0.5
85.02892	4.6
97.02895	2.0
105.06997	2.4
109.06532	1.0
115.05493	0.5
117.06987	0.5
119.08578	0.6
122.03629	1.0
127.86214	0.4
129.06970	0.7
133.06485	3.0
137.05972	100.0
143.06142	0.6
145.06496	0.6
147.04396	0.7
147.08078	1.0
149.05965	2.1
151.07556	1.0
159.08066	1.1
161.05965	16.5
163.07520	0.7
164.86156	0.5
167.06969	0.5
171.08058	0.4
172.05162	0.6
175.07523	25.7
176.19844	0.6
179.06929	0.5
187.07532	14.1
189.09187	1.6
191.08447	1.9
193.35304	0.5
199.07530	6.7
203.08638	0.5
205.08495	0.5
217.08569	0.9
219.08020	7.9
220.08624	0.6
231.08066	2.5
247.07495	7.0
248.08321	1.0
249.08955	0.6
251.10641	38.9
259.07568	2.2
260.08215	1.9
261.09027	0.9
263.10626	4.0
264.07953	1.1
265.08594	0.9
276.07544	0.6
279.10132	25.5
280.10980	2.1
291.10135	8.2
292.10901	2.1
295.13382	0.8
296.10483	3.0
308.10403	1.1
311.12750	47.7
313.14294	1.8
323.12766	19.8
325.14679	0.5
341.13809	19.2
468.43045	0.5
473.18225	0.8
491.19302	0.7
503.19125	22.3
700.35962	0.9
727.24670	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32227	0.7
64.77899	0.7
66.30724	1.0
69.03429	4.7
70.06602	1.0
74.63416	0.7
81.03439	1.1
85.02914	10.0
86.09733	1.8
91.05480	0.9
96.77541	0.8
97.02888	5.0
103.05463	1.3
105.06995	1.2
109.02877	1.1
109.06543	1.4
119.08585	1.6
122.03638	3.1
127.03961	1.8
131.04939	10.8
132.05646	0.8
133.06509	3.7
137.05988	100.0
147.08054	4.8
159.08046	1.1
161.05978	17.9
163.07507	22.1
166.07222	1.1
173.06023	1.5
175.07547	72.1
181.05048	1.1
187.07564	6.6
189.09151	1.0
199.07533	8.8
201.09143	1.6
203.08609	0.9
219.08070	5.1
231.08083	4.5
238.76158	1.0
247.07553	4.0
251.10660	19.8
259.07550	3.6
260.08301	1.5
263.10699	3.3
265.12283	0.9
276.07663	1.8
279.10165	16.4
291.10101	13.4
292.11026	4.2
296.10364	1.7
308.10251	1.8
311.12796	30.4
323.09018	1.0
323.12784	29.0
325.14359	15.4
341.13818	10.7
417.15421	1.0
503.19003	25.8
650.46216	0.9
651.27039	1.0
674.47461	1.0
692.79364	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	700.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	4.1
56.99411	3.5
57.07085	43.6
57.64997	3.4
61.02930	7.7
67.05502	7.3
69.07065	7.8
69.78747	4.0
71.08627	42.2
81.07071	20.9
83.08620	20.3
84.79784	4.0
85.02914	17.2
85.10200	32.4
91.03947	18.6
95.08602	36.8
96.84137	3.7
97.10166	19.1
97.21993	4.3
103.59122	4.6
106.12524	4.1
109.10155	20.8
116.18093	4.3
123.11669	8.7
145.04941	6.4
163.06007	8.6
196.94559	4.3
266.98804	4.2
267.26825	6.3
341.30542	71.6
359.31540	100.0
700.44757	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	701.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58411	1.1
59.61016	1.1
77.89450	1.2
79.68498	1.1
96.56351	1.3
103.85914	1.2
214.83449	1.4
242.43578	1.2
435.21799	7.9
437.23523	1.6
449.23358	3.1
461.23083	1.8
477.22736	5.7
481.22537	2.1
491.20712	2.0
494.23105	12.3
495.23648	11.1
496.24915	3.9
509.21616	3.1
522.22028	2.1
523.23462	11.8
539.23254	4.9
540.23358	5.7
567.22070	2.9
581.23993	32.3
595.22119	1.4
599.23138	1.8
660.25177	9.7
669.25427	7.9
683.27002	5.6
701.27771	100.0
701.45972	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	701.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60970	1.1
68.93427	1.2
84.65789	1.3
117.34894	1.4
131.86229	1.5
213.99951	1.4
217.68896	1.4
343.11227	5.6
364.48315	1.5
367.21014	2.0
422.19131	1.6
435.21683	2.2
449.23795	2.6
476.21399	2.0
477.22977	2.2
479.20578	5.4
489.23242	2.5
494.23318	2.8
495.23959	8.3
509.21890	2.6
513.19708	5.4
519.24469	1.9
521.22003	6.0
523.23456	6.8
526.97742	1.5
527.21063	10.6
533.21637	1.9
537.25018	3.0
539.23120	6.4
550.21759	7.0
551.20306	3.0
553.24652	4.3
555.24866	2.4
581.23773	5.6
585.21600	5.9
587.31512	1.6
592.23676	2.7
593.23883	73.1
597.01660	1.6
599.23016	12.7
609.22815	3.1
613.24768	2.2
614.25769	12.7
641.24524	1.8
651.24316	5.9
652.25500	8.2
655.27875	2.5
669.26190	6.5
683.27057	98.1
701.27197	100.0
701.44617	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	701.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
55.05503	0.3
57.07078	2.8
60.09758	0.2
67.05505	0.7
69.03415	1.3
69.07057	0.5
71.08639	2.3
80.07482	0.2
81.03412	4.1
81.07066	1.2
83.08613	0.5
85.02895	1.1
85.06509	0.3
85.10176	0.6
95.08578	2.0
97.02881	1.8
99.04416	0.4
109.02872	1.3
109.10117	0.5
127.03914	1.0
141.41129	0.3
145.04907	0.4
155.68332	0.3
184.96654	0.3
239.23785	0.4
286.04703	0.3
301.07047	100.0
383.27872	2.5
510.34366	0.3
611.28271	0.3
625.15631	0.3
701.32043	6.4
701.44391	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	701.3714
Annotation	Chalcomycin
Peak:m/z	Relative Intensity
50.47601	0.3
52.44232	0.3
56.34608	0.3
97.37703	0.4
132.53941	0.4
142.14774	0.3
151.61320	0.4
163.68185	0.3
185.04315	1.5
203.05243	2.6
241.48683	0.4
259.07980	2.0
305.08511	0.4
347.09329	2.7
365.10580	4.7
421.13065	2.7
493.46744	0.4
539.31934	31.6
549.21021	0.4
669.26483	0.4
701.37238	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3712
Annotation	Chalcomycin
Peak:m/z	Relative Intensity
50.06198	0.3
63.51797	0.3
66.74960	0.3
67.04449	0.3
67.24930	0.4
80.06273	0.4
140.65125	0.4
154.12173	0.4
157.18213	0.4
174.96512	0.4
185.04245	1.5
185.32489	0.3
203.05336	0.5
247.96414	0.4
347.09451	2.5
421.12930	0.8
539.31879	36.8
674.21887	0.5
701.37164	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57753	0.8
56.05042	0.9
58.06591	1.2
60.04541	1.5
70.06596	100.0
74.06078	13.0
75.00871	1.2
84.08154	2.0
86.09702	49.6
92.21249	1.9
97.02843	1.0
102.72128	1.0
109.10169	1.4
111.36504	1.1
113.07156	2.0
115.08710	1.1
117.06676	1.5
127.03933	2.2
127.08681	13.4
129.10237	1.1
131.08194	5.0
132.10199	11.1
137.06010	2.8
143.11862	6.6
145.06082	17.4
155.08154	52.0
157.06136	2.8
159.07643	14.0
163.07555	1.6
169.13400	1.5
172.04158	1.2
184.07225	1.1
184.34760	1.1
187.14447	1.4
202.08212	17.9
210.12413	4.8
212.10365	2.0
215.13927	7.9
228.13539	1.9
233.14992	7.2
238.12010	2.8
256.12906	19.9
268.12625	1.3
272.15976	20.6
272.18283	1.1
281.12909	1.1
287.17322	1.7
369.21436	7.8
387.22348	63.0
397.16864	4.5
426.11008	1.3
452.74832	1.2
459.62167	1.3
467.47061	1.4
527.78949	1.2
570.28717	5.0
592.89703	1.4
683.37079	6.4
701.38269	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	701.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77335	2.2
53.03955	3.9
55.05513	4.7
63.18869	2.4
63.95387	2.2
65.03921	3.2
67.05504	22.3
69.03418	15.8
69.07055	12.8
71.04989	2.9
73.02963	2.4
75.73045	2.4
79.05488	5.0
81.03400	18.7
81.07056	27.5
83.04936	2.6
83.08624	3.4
85.02906	29.3
87.00821	5.1
91.05492	5.9
93.07056	25.2
95.08597	42.6
97.02876	12.7
99.04465	5.1
105.01852	3.2
105.07037	17.4
107.08582	28.4
109.02876	13.3
109.06538	3.7
109.10157	82.8
116.54899	2.4
119.08572	42.5
121.06538	2.8
121.10132	24.2
121.22460	2.4
123.11707	5.2
127.03940	21.9
127.11206	3.7
131.08549	4.6
133.06445	2.9
133.10107	18.2
135.08017	5.5
135.11694	12.8
143.08517	3.7
145.04897	3.4
145.10095	19.9
145.62280	3.2
147.11728	18.4
149.05939	4.9
149.09641	4.2
149.13254	15.6
157.10065	5.3
159.02893	4.2
159.11696	16.6
161.13240	11.6
163.11180	3.7
169.10172	4.3
171.11719	11.7
173.09660	5.3
173.13251	14.3
175.14780	10.7
183.11674	5.4
185.13280	13.0
187.14803	14.7
189.16432	3.7
195.11604	5.0
197.13315	4.4
198.12564	3.0
199.11127	5.3
201.12750	3.4
203.14188	4.2
209.13203	5.0
213.12827	3.8
213.16391	3.0
215.14398	5.1
225.12773	4.0
225.16370	11.6
227.14256	3.4
239.14374	5.3
239.17899	3.2
241.19498	4.0
253.15863	3.4
263.18161	2.8
267.17310	4.6
269.18991	6.0
283.20346	3.6
291.21002	2.9
309.22131	4.0
327.23181	3.8
335.23636	3.9
353.24725	3.1
355.26413	5.0
379.26224	6.3
397.27542	11.0
399.30280	4.6
417.31433	35.6
435.26715	4.1
435.32584	89.8
453.33597	100.0
600.78546	3.0
645.32452	5.8
665.36108	4.8
683.37909	57.9
701.39105	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	701.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	1.7
53.03962	2.7
55.05515	2.8
56.47460	1.6
67.05509	24.3
69.03429	17.8
69.07080	12.9
71.05009	2.8
79.05496	2.9
81.03420	8.5
81.07064	30.1
83.04966	1.7
83.08615	3.9
85.02908	26.5
85.06557	1.8
87.00832	8.1
91.05478	6.6
93.07038	21.0
95.04969	2.0
95.08602	45.2
97.02901	7.5
97.06520	2.8
97.10154	2.3
99.04432	3.0
99.08118	3.3
105.01876	7.3
105.06998	19.7
107.08596	29.4
109.02877	12.6
109.06525	3.4
109.10170	62.1
111.08061	2.3
117.07003	2.8
119.08578	32.3
121.10133	21.7
123.08068	2.3
123.11717	10.2
125.09567	2.1
127.03905	23.1
127.11185	2.1
131.08589	10.9
133.06508	2.2
133.10135	24.1
135.08058	4.1
135.11662	12.0
143.08548	7.9
145.04962	4.1
145.10167	24.1
147.11679	17.1
149.13272	9.5
155.08525	2.4
157.10094	12.5
159.02893	7.7
159.08037	1.9
159.11687	15.5
161.09633	3.8
161.13272	10.8
163.11241	1.7
169.10152	9.2
171.11722	12.9
173.09624	8.6
173.13290	14.2
175.11156	7.3
175.14822	20.6
177.16492	2.0
182.11015	1.8
183.11659	12.1
185.09709	1.9
185.13257	13.0
187.11189	3.6
187.14841	16.4
189.12813	2.5
189.16368	2.2
191.14359	2.2
193.10127	2.2
195.11696	6.9
197.13278	9.6
199.11183	7.7
199.14828	2.9
201.12729	2.9
201.16443	2.1
201.79134	2.0
203.14343	5.8
207.11746	2.3
209.13400	2.4
211.11235	2.7
211.14853	10.3
211.94020	1.7
213.12753	2.6
213.16423	2.8
215.14276	3.5
223.14777	6.7
225.12711	1.8
225.16393	11.5
227.14406	3.7
227.17958	4.0
229.15904	3.1
233.15388	3.7
237.16386	7.2
239.14362	3.3
239.17970	7.6
241.15784	3.5
241.19559	3.9
243.17389	2.8
249.16200	3.0
251.17970	8.2
253.19539	3.3
255.17365	3.5
265.15918	2.4
267.17325	4.0
267.20911	1.8
269.18924	7.7
275.17703	1.8
277.19672	2.7
281.18958	6.4
285.18625	1.9
286.18552	1.8
289.19717	2.0
291.21167	2.3
293.19153	2.4
293.22476	2.2
307.24390	1.9
309.22141	2.7
317.22815	2.4
327.23099	3.7
331.24194	2.5
333.22202	1.9
335.23587	4.1
337.25079	2.5
341.25177	1.9
342.09641	1.9
349.24997	2.3
353.24896	9.0
355.26114	3.7
359.27176	1.9
361.25012	2.4
379.26285	3.6
397.27399	6.5
399.30377	4.1
417.31543	38.8
435.26572	3.3
435.32617	100.0
453.33676	93.0
533.82007	1.8
683.38019	49.7
701.27911	3.4
701.38879	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	701.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77450	2.2
55.01878	2.5
55.05513	3.3
67.05505	19.4
69.03420	13.7
69.07059	12.3
73.02914	2.6
81.03428	5.0
81.07049	20.1
83.08608	3.6
85.02898	17.0
87.00830	6.1
91.05467	4.2
92.21527	4.1
93.07050	21.3
95.08607	42.6
96.69131	2.5
97.02877	5.9
99.04462	3.0
105.01833	4.4
105.07034	16.9
107.08586	27.6
109.02884	14.6
109.06477	4.2
109.10153	59.5
117.07005	3.4
119.08590	27.2
121.10155	26.8
123.11696	11.4
125.09661	2.9
127.03921	15.3
131.08586	11.3
133.06473	3.6
133.10115	26.7
135.11693	12.7
143.08578	4.8
145.10143	22.5
147.11679	17.7
149.13275	13.5
155.08536	3.3
157.10106	12.8
159.11705	17.0
161.09602	4.6
161.13266	12.2
163.11176	3.8
169.10060	5.4
171.11647	5.5
173.09590	5.3
173.13235	9.7
175.11229	11.0
175.14772	17.2
183.11742	4.9
185.13237	13.3
187.14851	17.2
195.11693	3.1
197.13251	4.1
199.11169	4.1
199.14925	4.0
203.17984	3.1
209.13245	4.9
211.14725	3.4
213.12758	5.0
215.14198	3.9
223.14760	4.9
225.16437	4.9
227.14192	3.4
227.17967	4.6
229.15874	3.8
235.14865	3.6
239.17979	3.7
241.19333	3.4
251.17900	5.8
255.17322	3.3
267.17505	3.8
269.18970	5.9
279.20947	3.5
303.10974	3.2
353.24683	4.8
397.27539	14.3
399.30655	3.2
417.31537	44.1
435.32559	100.0
453.33609	94.3
586.76282	3.5
665.36591	3.1
683.37946	53.9
701.39020	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	701.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	2.8
57.38138	1.2
61.10326	1.2
67.05508	10.8
69.03436	10.7
69.07071	6.1
71.04992	9.4
79.05478	2.6
81.03427	6.3
81.07065	13.5
83.05009	1.9
85.02918	11.4
87.00832	2.2
91.05497	2.0
93.07042	9.2
95.08611	24.5
97.02914	3.0
99.04440	2.6
99.08106	2.4
105.01851	2.0
105.07043	8.9
107.08601	19.4
109.02885	9.7
109.10162	49.7
109.10905	2.0
117.07054	1.7
119.08571	51.7
121.06528	2.1
121.10136	44.8
123.08044	3.2
123.11707	7.8
125.09651	2.3
127.03897	12.6
127.11184	20.9
131.08609	5.1
133.10136	11.7
135.11691	9.0
143.08566	3.6
145.10130	21.3
147.11690	14.2
149.09584	2.7
149.13277	3.5
156.09364	2.0
157.10144	10.2
159.11682	23.2
161.09673	2.2
161.13278	6.1
169.10030	3.4
171.11664	18.4
173.09616	1.9
173.13290	13.4
175.14833	3.5
183.11713	7.9
185.13184	13.7
187.14865	6.9
189.16415	2.5
195.11612	2.9
197.13287	11.3
199.14833	8.0
201.16364	6.8
209.13248	6.4
211.14851	2.7
213.12709	2.1
213.16406	3.1
215.14328	9.9
215.17963	2.6
221.13417	1.8
223.14798	3.4
225.16273	5.5
227.14313	1.6
235.14784	3.1
237.16327	2.9
239.17883	1.8
241.16074	1.8
249.16409	2.8
251.17903	2.0
265.19427	2.9
267.17343	2.5
289.19119	2.4
291.21115	1.7
307.23929	1.6
309.22144	1.8
311.23706	1.9
331.24225	3.1
349.25223	1.7
372.95712	1.8
379.26105	2.3
391.30106	2.1
417.31519	13.4
435.32596	100.0
453.33643	71.1
453.44507	1.6
683.38007	12.9
701.38831	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	701.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.2
54.93050	0.9
55.01901	0.9
55.05511	5.9
57.03436	1.1
57.07107	0.9
61.02913	0.9
65.03922	1.0
67.05505	31.9
69.03429	5.3
69.07063	11.7
71.05002	1.9
77.74924	1.0
79.05476	3.6
81.03416	7.5
81.07063	20.9
83.04990	1.4
83.08614	1.9
84.08180	1.1
85.02908	15.4
87.00820	4.2
91.05480	5.6
92.21307	1.2
93.07031	7.9
95.08601	24.7
97.02899	6.2
99.04455	1.8
99.08066	1.2
103.58098	1.0
105.01864	4.4
105.07027	6.8
107.08589	16.4
109.02856	7.9
109.10154	100.0
119.08582	20.3
119.35625	1.0
121.10131	10.2
123.08042	2.4
123.11692	3.8
126.74751	1.3
127.03933	11.4
131.08571	8.3
133.06505	2.3
133.10132	14.6
135.08035	5.3
135.11696	6.0
137.09572	1.5
143.08542	4.1
145.04964	4.2
145.10110	14.7
147.11667	8.8
149.09633	2.5
149.13223	6.9
155.08594	1.9
157.10100	6.3
159.02879	4.4
159.11678	8.5
161.09647	1.1
161.13258	6.2
163.11189	1.5
169.10133	4.7
171.11668	8.3
172.08824	1.1
173.09631	5.7
173.13214	6.3
175.11183	5.5
175.14812	15.4
177.44154	1.1
181.10114	2.2
183.11653	4.1
185.09583	1.8
185.13228	5.1
187.11226	2.2
187.14778	10.8
195.11705	2.3
197.13205	6.5
199.11163	4.2
199.14790	1.8
201.12762	4.5
201.16243	2.1
209.13300	2.5
211.11308	1.4
211.14810	4.3
213.12714	4.1
213.16397	1.3
215.14322	7.8
221.13286	1.8
223.14853	2.5
225.12735	1.6
225.16327	6.7
227.14259	2.1
231.05110	1.6
237.16396	1.7
239.14273	1.7
239.17802	1.9
241.15959	1.6
243.17519	1.7
253.19566	1.3
261.16464	1.3
265.19696	1.1
267.17416	4.8
269.18951	2.4
277.19385	1.3
281.18845	1.2
285.18298	1.6
291.21130	1.7
295.20480	1.1
303.77075	1.1
307.20584	1.3
309.22238	4.6
327.23322	2.0
335.23630	2.3
337.25232	1.7
345.26007	1.1
349.25311	1.3
353.24643	2.3
355.26324	1.9
361.25143	1.6
379.26208	5.2
397.27243	10.2
399.30255	2.2
417.31528	22.0
435.32571	45.6
453.33652	46.0
498.73679	1.1
575.28162	4.5
645.32196	4.5
665.37335	1.8
683.26410	1.9
683.37683	30.9
701.39301	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	701.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.2
57.03430	0.6
57.07055	1.0
67.05511	1.9
67.73373	0.7
69.03433	2.9
69.07065	3.9
71.05010	7.8
71.05340	1.1
79.05505	1.3
81.03421	3.5
81.07057	6.4
82.21622	0.7
83.08625	1.6
85.02920	6.4
87.00869	0.9
91.05473	3.6
93.07050	6.1
95.04970	1.0
95.08614	13.6
97.02882	1.8
99.08096	2.7
105.01874	1.1
105.07028	7.3
107.08591	14.0
109.02864	3.9
109.06566	1.0
109.10159	16.2
119.08581	60.0
121.10143	47.2
123.08052	1.4
123.11700	4.5
125.09647	3.9
127.03897	3.0
127.11211	19.9
131.08577	4.2
133.10130	11.0
135.08058	1.2
135.11674	8.2
137.13280	1.2
141.12772	0.8
143.08548	1.9
145.10123	16.0
147.11694	8.2
149.09549	0.9
149.13222	1.4
155.08574	1.2
157.10123	10.4
159.11693	28.1
161.09679	1.3
161.13281	7.6
163.11125	3.2
165.12767	0.9
167.14098	0.8
169.10097	3.6
171.11693	14.5
173.13223	13.3
175.11150	1.1
175.14821	3.1
177.05367	0.7
183.11748	7.0
185.13243	15.3
187.11110	1.2
187.14806	7.4
189.12700	1.3
189.16420	1.9
195.11723	1.1
197.13223	8.2
199.14824	7.0
201.12680	1.9
201.16386	4.9
203.14398	1.5
203.17975	1.1
207.11641	0.9
209.13235	2.9
211.14816	7.5
213.12758	1.5
213.16350	4.6
215.14343	3.6
215.17880	1.8
221.13152	1.4
223.14812	3.1
225.16414	4.4
227.14359	1.5
227.17816	1.4
231.17441	1.2
235.14827	1.1
237.16400	1.8
241.15776	1.5
243.17532	1.6
245.15373	0.9
249.16406	1.4
251.17998	1.0
253.15616	0.9
253.19553	4.0
263.17972	1.5
265.19440	3.4
267.21011	1.3
271.20554	1.7
284.12161	0.8
285.22073	0.9
291.20917	1.1
301.07040	1.0
307.24435	0.9
309.22076	1.5
311.23871	1.1
331.24271	1.1
379.26083	1.2
391.29947	4.3
407.29495	3.9
410.63358	0.9
417.31418	9.4
435.32568	100.0
453.33643	92.7
647.36121	1.1
665.36792	3.0
683.37518	5.7
701.38330	9.6
701.49457	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	701.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64114	4.3
60.24568	3.7
67.05502	27.0
69.03425	15.7
69.07050	6.6
79.05518	4.9
81.03413	22.1
81.07066	27.0
85.02922	37.7
89.20348	3.9
90.29918	4.7
93.07037	18.4
95.08611	58.0
97.02888	4.8
105.01833	6.5
105.07051	17.1
107.08601	30.2
109.02872	21.9
109.10146	64.9
119.08586	26.9
121.10145	27.3
127.03893	23.0
127.40906	4.4
131.08594	5.0
133.10143	27.8
135.11713	8.9
145.10149	16.7
147.11702	9.9
149.13290	7.5
150.80559	4.4
157.10147	9.8
159.02876	5.7
159.11726	17.8
161.13249	6.2
169.10101	8.1
171.11678	10.0
173.09634	9.1
173.13219	10.7
175.11140	6.8
175.14784	17.3
183.11752	5.4
185.13293	7.7
187.14844	17.3
199.11243	6.6
199.14870	10.3
211.14803	4.9
215.14299	7.0
223.14732	6.7
225.16362	6.3
229.16072	6.8
239.17802	5.1
253.19528	4.5
309.22162	6.4
335.23904	5.0
361.25201	5.5
417.31558	38.9
435.32605	100.0
453.33792	79.3
665.37323	5.7
683.37854	44.1
701.38403	55.3
701.49487	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	701.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83472	0.3
61.97350	0.3
63.89177	0.3
65.15215	0.4
67.05528	0.4
76.32869	0.3
81.07058	0.6
83.08627	0.3
85.02911	0.8
86.04471	0.4
95.08572	0.6
109.10143	0.7
131.08632	0.3
145.10191	0.5
159.11758	0.4
164.97014	0.4
201.03720	0.4
201.16473	0.3
386.74725	0.4
389.71356	0.4
623.39496	2.6
641.40265	15.3
641.50708	0.7
701.42346	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	702.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
61.33300	0.4
70.06560	0.8
72.84495	0.4
73.09973	0.4
86.09653	0.6
89.74928	0.5
97.88612	0.4
99.99625	0.4
126.86647	0.5
137.24768	0.4
139.75977	0.4
197.20341	0.5
218.77843	0.4
290.08096	9.1
302.08130	2.9
304.06000	7.1
318.07562	12.5
319.08380	54.2
327.48248	0.5
334.10721	100.0
571.30487	0.5
636.76038	0.4
702.21832	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	702.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25143	0.3
55.76225	0.3
60.50707	0.3
66.46718	0.3
70.06539	0.4
73.91282	0.4
74.40244	0.3
81.07026	0.5
83.77400	0.4
85.02881	0.5
87.45110	0.3
97.02859	0.3
109.10143	0.5
119.08556	0.4
119.84897	0.3
127.03859	0.9
146.08083	0.4
160.78645	0.4
193.09856	0.4
263.40472	0.4
280.08182	0.4
290.08102	7.3
294.99326	0.4
302.08096	2.6
304.06021	7.8
318.07584	10.0
319.08395	48.5
334.10730	100.0
407.50699	0.4
423.07120	0.4
436.32892	0.7
454.34055	0.5
536.20313	0.4
683.06763	0.5
702.21808	41.6
702.48267	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	702.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11219	0.6
71.04971	0.7
94.18659	0.7
101.22170	0.8
157.30428	0.8
171.05238	0.8
185.15695	0.7
200.85097	0.6
205.95070	0.8
253.53954	0.7
290.08105	8.5
302.08218	1.6
304.06015	9.9
318.07611	12.2
319.04626	1.5
319.08417	48.6
334.10742	100.0
348.12375	1.2
454.34335	0.8
632.49377	1.0
702.21796	37.0
702.49744	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	702.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69715	1.4
57.36855	1.6
58.72840	1.6
58.79930	1.6
66.80128	1.8
78.54136	1.5
82.46909	1.4
86.09674	1.5
88.83315	1.5
92.21525	2.9
97.19638	1.6
116.89331	1.6
150.24124	1.7
170.91110	1.9
205.19716	1.9
236.72766	1.9
290.08118	11.5
304.05887	4.3
318.07562	9.3
319.08441	43.1
334.10739	100.0
339.28027	1.7
689.09406	2.1
702.21906	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	702.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62729	0.2
57.13597	0.2
68.37488	0.2
70.04266	0.2
70.06570	0.3
76.75087	0.2
77.38107	0.2
81.41135	0.2
84.08089	0.2
86.09663	0.4
91.34326	0.2
100.50867	0.2
129.10141	0.3
159.71576	0.2
179.92418	0.3
276.06308	0.3
290.08096	8.0
302.08051	2.9
304.06021	7.5
318.03836	0.3
318.07590	11.4
319.08392	50.5
329.87314	0.2
334.10727	100.0
409.33554	0.2
415.60626	0.2
702.00470	0.9
702.21796	39.8
702.49506	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	702.297
Annotation	Unknow
Peak:m/z	Relative Intensity
61.42791	0.3
69.03430	0.5
70.06606	3.2
71.06963	0.4
72.08154	1.3
84.04457	0.3
84.08132	1.6
84.95200	0.3
85.02911	2.9
86.06061	0.6
86.09722	0.4
88.81099	0.3
91.25173	0.3
97.02901	0.6
99.06685	0.3
103.30264	0.3
110.07119	0.6
114.05622	0.4
127.03883	0.4
129.07014	1.7
129.10278	2.7
131.08565	2.2
131.38448	0.3
137.05968	1.3
141.06972	0.4
145.05022	0.5
157.06480	3.4
159.08063	4.8
160.05193	0.4
163.03889	1.5
169.06470	0.6
174.06732	4.5
175.07526	1.9
186.06705	0.5
189.09120	23.4
191.10661	2.6
201.09143	8.0
207.10126	0.4
219.10170	100.0
220.18471	0.3
237.11256	3.6
343.29095	0.3
682.38611	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	702.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.8
54.75270	1.6
55.05521	8.2
60.04498	1.5
62.86308	1.6
67.05511	26.0
68.67377	1.8
69.03420	3.5
69.07069	7.4
79.05498	19.3
81.03431	3.0
81.07066	28.5
83.04993	4.0
83.08627	7.7
84.90902	1.7
85.02928	3.0
85.06544	2.6
91.05474	14.9
93.07050	28.1
95.04959	7.4
95.08613	26.7
97.02892	58.1
97.06536	2.2
105.07050	23.2
105.97698	1.7
107.08592	23.3
109.06521	4.7
109.10158	9.5
111.04404	2.2
117.07020	11.7
119.08584	22.1
121.06522	2.5
121.10118	14.4
123.04435	1.7
123.08098	2.2
123.11669	3.1
129.07001	9.6
131.08580	13.2
133.10110	14.2
135.08038	2.6
135.11700	11.1
143.08583	12.9
145.06421	2.2
145.10072	14.6
147.07986	2.1
147.11676	16.2
149.09671	2.5
149.13190	2.4
155.08539	3.5
157.10118	9.0
159.08046	2.1
159.11702	11.6
161.09618	3.8
161.13295	3.6
167.08618	2.4
169.10114	4.2
171.11746	7.6
173.09628	2.5
173.13235	9.5
175.11145	3.1
177.27309	1.9
183.11681	3.0
185.13225	3.4
189.12769	2.3
195.11819	2.5
197.13348	2.4
217.36565	2.2
240.72929	2.2
259.20541	4.5
277.21701	4.7
303.23260	2.2
311.23746	2.8
329.24567	3.2
339.23087	11.8
357.24332	22.4
375.25290	100.0
393.26236	14.4
482.77704	2.0
537.30438	13.6
587.55615	2.0
624.37476	2.1
638.25281	2.2
702.44745	2.9
717.08667	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	702.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.0
55.05519	16.6
57.03434	10.4
60.04527	4.0
64.57501	2.2
67.05511	43.0
69.03432	63.6
69.07067	16.0
70.49614	2.1
71.04983	4.4
75.07030	2.1
79.05499	35.6
81.03423	30.7
81.07057	61.5
81.07500	4.1
83.04986	14.9
83.08633	10.0
85.02905	30.9
85.06544	8.7
86.85083	1.9
87.04462	21.7
87.78399	2.2
91.05480	25.0
92.32968	2.4
93.07043	44.6
95.04964	13.6
95.08610	57.1
97.02893	35.6
97.06582	3.3
97.10182	4.9
99.04462	10.0
99.08123	3.3
103.03960	2.3
105.07025	30.8
107.04946	5.3
107.08603	33.8
109.02878	11.6
109.06533	4.9
109.10165	26.1
111.04393	9.9
111.08088	2.5
115.03923	26.8
117.06992	19.2
119.08573	37.8
121.06501	9.5
121.10157	31.1
123.08106	4.8
123.11716	11.1
125.06017	3.4
125.09641	3.1
127.03905	15.5
129.07002	13.4
131.08537	32.7
133.04970	22.4
133.06465	8.9
133.10127	36.8
135.08061	9.1
135.11722	21.8
141.06984	4.4
143.08589	15.6
145.04967	2.4
145.06520	4.4
145.10127	31.7
147.08069	4.1
147.11688	28.3
149.09607	2.9
149.13228	12.0
150.07599	33.5
155.08589	8.6
157.06546	2.5
157.10126	11.3
159.08002	4.1
159.11662	24.3
161.04466	2.5
161.09512	2.3
161.13235	16.8
163.07529	2.2
163.11180	3.2
163.14795	3.1
165.09106	2.8
167.08658	3.4
169.10121	8.1
171.11674	14.6
173.09668	3.3
173.13214	16.9
175.11139	3.7
175.14833	3.9
183.11713	4.7
185.09601	4.0
185.13266	12.9
187.11275	4.0
187.14845	10.7
197.09659	3.0
197.13196	10.5
199.14815	10.0
199.45955	2.5
201.12695	2.8
207.13684	2.6
209.13306	2.6
241.15848	2.4
241.56116	2.6
259.20593	3.9
261.22192	5.1
273.21951	4.7
277.21591	5.5
279.23007	2.4
285.22092	2.9
291.23123	4.1
301.21637	3.0
303.19958	2.7
303.23227	11.5
315.23367	3.1
325.21713	2.6
327.23245	3.4
341.24814	5.5
345.24252	3.8
351.23187	18.5
357.24619	3.8
369.24243	42.9
375.25363	5.2
387.25266	85.5
393.26572	3.0
405.20798	3.6
405.26324	100.0
423.27405	39.2
519.29114	11.6
702.43738	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	703.243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32748	1.7
54.00903	1.9
55.30688	1.9
67.78726	2.1
68.32832	2.1
69.31489	1.9
89.72894	2.2
91.95441	1.9
112.00851	2.0
118.83997	2.2
162.39270	2.4
368.23160	2.3
475.00726	2.4
527.20947	14.1
529.22180	11.6
539.21075	8.9
549.19354	7.8
567.20258	8.9
598.22308	20.0
599.23566	4.3
601.21149	16.7
616.23688	20.3
654.86646	2.9
685.24487	2.2
696.23578	2.6
703.24243	100.0
703.35803	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	703.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.0
53.49762	2.7
55.05510	5.8
61.62025	2.5
67.05519	25.3
69.03426	27.1
69.07061	19.0
70.06593	4.8
73.02927	4.9
79.05508	6.4
81.03432	26.2
81.07077	49.9
83.08598	3.8
85.02905	43.6
87.00830	16.9
87.75355	3.2
91.05492	7.2
93.07042	32.0
95.08611	70.8
97.02898	15.7
99.04452	12.6
103.44322	3.0
105.07016	28.7
107.08601	47.8
109.02869	31.6
109.10162	100.0
111.08113	3.6
113.69808	2.9
119.08570	51.2
121.10146	30.3
123.11677	15.0
125.09629	3.7
127.03932	40.9
131.08571	15.2
133.10152	38.1
135.08121	4.5
135.11691	18.2
137.09659	3.9
137.13298	4.4
143.08565	15.9
145.04950	5.6
145.10117	43.0
147.11728	32.6
149.09668	3.0
149.13231	4.7
157.10155	29.0
159.02864	14.2
159.11711	30.6
161.09625	6.7
161.13274	21.7
162.48979	3.1
163.14804	5.7
169.10141	13.3
171.11639	27.9
173.13235	22.0
175.14853	21.1
177.12730	3.5
181.10147	3.3
183.11691	20.1
185.13252	20.8
187.14803	23.9
189.16394	21.6
195.11760	14.4
195.17503	3.6
197.13293	15.2
199.14839	20.4
201.16377	20.0
203.18030	3.8
209.13289	12.4
210.13739	3.6
211.14807	15.8
213.16380	16.5
215.17924	7.6
217.15860	12.3
221.13300	4.1
223.14900	7.1
225.16348	14.9
231.05013	4.1
231.17358	3.2
235.14795	3.9
237.16351	15.6
239.17896	12.1
251.17755	12.5
253.19423	14.5
263.17969	4.2
265.19656	6.9
267.21222	6.3
269.97073	3.4
279.20862	4.9
291.20886	13.5
293.22653	12.6
311.23730	3.8
319.08200	14.5
320.08704	16.2
334.10678	20.6
335.11017	29.9
337.25272	4.5
363.26511	3.7
399.29230	7.3
401.31979	49.3
419.33051	93.5
437.34164	91.6
455.35101	37.6
667.38336	35.9
685.28583	5.1
685.39337	73.0
703.21460	30.1
703.40436	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	703.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	5.1
55.05530	4.8
57.03433	3.9
66.61998	3.1
67.05510	30.9
69.03436	42.8
69.07065	23.5
71.05009	6.3
73.02920	5.3
78.43710	3.3
79.05492	7.8
81.03419	33.8
81.07071	46.6
83.08635	3.9
85.02911	70.3
87.00826	37.0
88.10246	4.2
91.05465	4.6
93.07066	29.1
95.08602	65.2
97.02888	23.7
97.06564	4.1
99.04436	20.4
105.01891	28.4
105.07027	33.9
107.08594	50.8
109.02862	32.5
109.06551	5.0
109.10155	98.6
111.08123	3.6
117.07005	4.4
119.08566	57.6
121.10140	35.9
123.11694	17.8
125.09599	6.2
127.03902	61.6
129.01836	4.2
131.08554	23.9
133.10147	34.5
135.08046	5.1
135.11696	20.1
143.08598	7.7
145.04970	19.3
145.10147	46.6
147.11679	41.9
149.13258	17.9
155.08501	7.2
157.10158	34.0
159.02890	18.6
159.11699	33.1
161.13234	25.1
163.14783	5.8
169.10080	9.2
171.11707	22.1
173.09607	5.9
173.13272	37.1
175.14821	19.7
181.10115	5.5
183.11714	20.9
185.13266	20.8
187.14787	27.5
189.05013	4.2
189.16434	27.0
191.57008	3.9
195.11702	17.9
197.13286	17.7
199.14828	19.4
201.12724	5.4
201.16353	17.3
203.17966	6.4
205.15984	5.4
209.13266	6.2
210.14032	4.2
211.14777	9.1
213.16399	20.5
215.17969	8.8
223.14740	9.0
227.17894	8.9
231.04997	6.7
231.17447	6.3
237.16351	5.7
239.17949	9.2
249.05801	4.6
251.17865	9.5
253.19437	5.6
265.19461	7.4
267.21054	9.2
283.20654	4.1
291.21271	4.5
292.21906	7.1
293.22598	6.6
387.96872	4.2
391.33810	7.8
401.32083	35.8
409.34451	18.9
419.33112	95.8
437.34119	100.0
455.35367	51.5
667.38086	24.6
685.39355	73.5
703.40375	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	703.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
55.01879	2.3
55.05519	5.6
61.02923	1.5
67.05512	38.0
69.03440	15.1
69.07074	15.1
70.95660	1.3
73.02917	1.7
79.05503	7.9
81.03422	12.8
81.06616	2.0
81.07066	44.7
83.04991	2.9
83.08628	6.3
85.02912	21.6
85.73349	1.1
87.00852	11.0
91.05491	2.6
92.21175	6.5
93.07069	13.3
95.08609	27.2
97.02902	11.1
97.10164	2.0
99.04459	8.1
99.08097	10.5
105.01882	6.8
105.07055	13.2
107.08613	23.4
109.02892	16.9
109.06506	2.6
109.10165	100.0
111.08115	1.9
119.08590	26.6
121.10166	19.7
123.11707	9.0
125.09617	1.8
127.03926	21.0
131.08591	6.2
131.69727	1.4
133.10136	18.1
135.08096	2.4
135.11719	15.6
143.08578	7.0
145.04991	6.1
145.10143	14.4
147.08116	2.6
147.11725	11.4
149.09653	2.2
149.13293	9.7
153.12682	1.3
155.08583	1.9
157.10138	11.2
159.02916	10.8
159.11690	12.0
161.09616	1.5
161.13206	10.6
163.11169	2.0
169.10120	6.6
171.11693	8.5
173.09644	1.5
173.13246	13.3
175.11221	2.6
175.14812	24.3
177.16502	2.1
183.11722	5.1
185.13248	7.3
187.11201	1.9
187.14819	7.6
189.16371	5.5
195.11853	2.4
197.13264	6.8
199.14861	5.3
201.16389	2.0
209.13159	2.2
211.14761	2.0
213.16411	6.8
215.14317	3.0
215.17943	1.6
223.14883	5.1
225.16357	8.1
227.14407	2.0
227.17929	13.8
229.15903	2.2
231.05054	1.5
235.15019	1.4
237.16354	5.0
239.17920	6.5
241.19528	6.6
243.21095	1.8
251.17900	2.7
253.19366	2.1
255.21017	1.8
269.18948	12.6
271.20511	2.7
281.22748	5.3
285.22241	2.1
287.20248	1.5
293.22531	2.6
311.23743	1.6
337.25491	1.6
339.26944	1.8
401.31943	10.4
419.33054	47.8
437.34180	51.2
455.34937	13.4
494.43594	1.6
667.37915	7.8
685.39337	20.3
703.40051	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	703.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	2.5
54.89780	1.3
55.05520	6.6
55.37420	1.5
66.84019	1.6
67.05519	12.3
69.03442	24.1
69.07074	20.5
71.04980	3.3
79.05489	1.9
81.03432	14.0
81.07063	22.6
83.08590	3.8
85.02437	2.4
85.02906	40.3
87.00813	2.7
91.05486	3.3
93.07046	15.5
94.40302	1.6
95.08613	30.3
97.02899	18.0
97.10158	2.6
98.79848	1.7
99.04436	10.3
105.01844	3.1
105.07019	9.9
107.08599	23.1
109.02907	12.4
109.10154	39.9
119.08585	28.9
120.08929	1.8
121.10167	22.5
123.11680	8.8
127.03909	45.7
131.08521	9.9
133.10092	13.1
135.11659	3.5
142.07762	1.7
143.08542	8.7
145.04953	13.9
145.10077	18.4
147.11630	15.5
149.13284	10.9
155.08562	3.3
157.10121	17.1
159.02908	4.0
159.11627	16.0
161.13219	14.3
163.14845	6.2
169.10081	7.6
171.11650	20.5
173.13242	13.7
175.14803	2.8
181.10172	2.4
183.11652	14.9
185.13216	14.9
187.14827	8.5
195.11639	6.2
197.13243	11.8
199.14799	9.6
201.16290	3.1
203.17958	2.7
207.11780	2.9
209.13246	10.6
210.13951	2.4
211.14771	12.8
213.16368	11.0
214.20976	1.8
215.18037	3.7
217.15767	3.1
221.13281	2.5
222.76697	1.9
223.14761	8.3
225.16309	6.4
227.17960	8.0
231.17441	3.3
235.14893	3.3
237.16376	13.4
239.17903	7.1
241.19467	6.5
249.06093	7.1
249.16400	3.4
251.18069	7.0
253.19501	7.8
255.17435	4.1
255.20964	2.2
263.17938	7.0
265.19440	3.0
267.21133	2.8
271.20334	2.2
279.21075	2.6
281.18631	2.0
283.20480	3.5
291.21143	4.0
293.22583	3.3
294.57495	1.8
309.22034	8.3
377.27893	2.0
401.32123	18.7
419.33054	60.8
437.34155	100.0
455.34995	14.2
540.01453	2.2
667.37982	8.6
685.39423	42.5
703.29419	3.1
703.40460	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	703.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40322	2.8
54.51385	3.6
55.05504	4.2
67.05502	21.1
69.03423	23.8
69.07071	21.6
71.05000	9.0
79.05487	4.3
81.03432	34.1
81.07053	36.5
83.08623	4.1
85.02899	36.6
87.00841	16.2
88.66614	4.3
91.05468	5.9
93.07040	21.9
95.08623	40.9
97.02892	26.4
99.04478	8.3
105.01879	9.5
105.07029	16.4
107.08606	25.5
109.02892	30.1
109.06535	4.6
109.10167	95.1
117.06940	4.5
119.08567	26.0
121.10148	39.4
123.11692	8.4
127.03874	33.3
127.11229	20.6
131.08549	7.9
133.10114	23.5
135.11697	17.2
143.08565	6.9
145.05008	7.4
145.10123	19.3
147.11687	15.9
149.13255	6.0
155.08504	5.1
157.10139	20.1
159.02838	7.3
159.11667	18.5
161.13254	20.9
163.14893	4.8
169.10136	6.9
171.11720	16.3
173.13231	21.9
175.14801	7.0
181.10054	4.4
183.11714	17.1
185.13277	17.6
187.14888	13.5
189.16432	4.9
195.11644	3.8
197.13292	8.5
199.14772	9.3
201.16368	4.2
203.00816	4.2
211.14839	18.7
213.16220	5.7
223.14783	7.7
225.16309	7.7
227.17879	4.5
237.16278	6.9
239.17863	9.0
241.19328	5.9
249.16656	3.8
251.17836	5.5
265.19556	6.3
267.21024	4.6
279.20963	16.4
281.22650	17.8
293.22604	4.7
311.23868	5.5
315.35031	4.8
321.25693	4.3
389.32187	9.4
401.31915	16.4
401.82162	4.5
407.32867	21.0
419.33200	51.4
437.34198	100.0
455.35165	29.8
511.88431	4.7
613.54077	4.4
667.38190	7.1
673.38782	9.5
685.39111	34.1
703.40521	58.1
715.37671	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	703.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.1
57.03436	0.8
57.07071	1.2
57.10257	0.7
57.14673	0.7
57.79915	0.7
59.99738	0.7
61.21744	0.8
67.05510	9.2
69.03438	7.9
69.07077	7.9
71.04996	14.3
79.05486	1.6
81.03425	5.7
81.07058	12.0
83.08627	7.5
85.02906	10.9
87.00827	5.2
91.05475	1.6
93.07038	10.7
95.04974	3.7
95.08609	19.4
97.02895	4.7
97.10200	1.2
99.04449	3.2
99.08105	1.6
105.01870	3.4
105.07033	6.9
107.08604	21.8
109.02883	7.0
109.06517	1.7
109.10168	48.3
117.06995	1.2
119.08578	24.7
121.10151	17.4
123.08008	1.7
123.11706	23.7
125.09673	1.3
127.03939	10.4
127.11192	44.5
131.08563	4.0
133.06499	2.1
133.10147	15.0
135.08080	2.0
135.11722	11.7
137.09592	1.2
137.13255	3.8
141.12766	7.1
143.08580	3.8
145.04985	1.2
145.10136	15.9
147.08058	2.2
147.11693	13.8
149.09622	4.4
149.13287	10.4
151.11134	1.3
156.09328	0.9
157.10141	10.5
159.02898	3.7
159.08081	1.3
159.11703	16.6
161.09634	2.0
161.13223	13.6
163.11162	1.2
163.14809	4.7
169.10112	4.7
171.11705	14.7
171.19548	0.8
173.09644	1.4
173.13235	11.4
175.11177	5.9
175.14807	4.2
183.11681	21.0
185.13219	13.8
187.11234	2.2
187.14847	7.5
189.12747	7.6
189.16400	1.8
194.26611	0.9
197.13248	5.2
199.11232	1.6
199.14809	6.1
201.12733	9.8
201.16425	6.0
203.14310	5.9
203.17987	3.6
205.19580	0.9
209.13315	4.7
211.14830	6.0
213.16376	3.9
215.14349	5.3
215.17915	5.0
217.15913	4.4
217.19481	1.4
223.14874	6.4
225.16426	1.7
227.17807	1.3
229.15817	1.3
231.04872	1.3
237.16414	2.2
239.17998	1.8
243.17416	1.9
249.16426	1.4
251.17918	5.4
254.56447	0.9
255.17455	1.0
257.19037	1.1
267.21204	1.2
269.18860	1.6
273.22202	0.9
287.23810	1.6
293.22543	1.7
297.22012	1.4
309.22369	1.2
311.23740	1.5
401.31906	1.4
409.34399	3.5
419.33139	20.7
437.34161	100.0
453.71497	1.0
455.35208	87.2
530.78119	0.9
537.66919	1.0
641.40314	1.1
667.39020	1.8
685.39148	10.6
703.40704	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	703.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.9
55.01865	2.2
55.05514	6.7
56.11332	1.2
67.05513	29.5
69.03436	12.6
69.07068	17.4
71.04988	1.8
71.52998	1.3
73.02912	2.4
79.05486	7.1
81.03429	15.3
81.07062	44.6
83.05002	1.9
83.08622	7.2
85.02906	30.1
85.06522	2.0
87.00821	11.4
91.05492	2.0
93.07044	15.1
95.08624	17.1
97.02896	11.5
97.10136	1.4
99.04469	10.5
99.08089	13.7
105.01873	9.1
105.07025	12.3
107.08595	19.5
109.02879	26.2
109.06531	1.8
109.10159	100.0
117.07037	2.3
119.08587	19.7
121.10136	18.2
123.08043	1.9
123.11691	7.2
125.09590	1.6
127.03920	30.8
129.01851	2.8
131.08568	8.4
133.10126	18.2
135.08070	2.5
135.11717	11.3
143.08571	2.1
145.04958	7.3
145.10120	10.9
147.08087	2.3
147.11674	11.1
149.09476	1.9
149.13277	8.3
155.08582	2.8
157.10156	10.8
159.02895	9.6
159.11674	10.1
161.09628	2.0
161.13286	9.1
169.10117	2.5
171.11609	10.0
173.09612	1.8
173.13254	13.7
175.11194	2.8
175.14818	23.5
177.16402	1.7
183.11707	7.1
185.13254	9.6
187.14822	8.1
189.12741	1.9
189.16411	6.3
195.11688	2.1
197.13271	3.1
199.11047	1.4
199.14848	5.6
201.16516	1.5
209.13304	3.0
211.14819	6.0
213.16371	6.2
215.14406	1.7
223.14694	2.2
225.16380	1.9
227.17911	14.9
229.19632	1.8
231.05019	2.0
235.14818	1.9
237.16461	2.1
239.17908	2.7
241.19484	6.2
243.17365	1.8
243.21069	1.5
253.19576	2.5
255.17464	1.8
256.47849	1.5
263.17896	1.7
269.18958	12.5
271.20569	5.9
281.22696	5.3
285.22095	1.9
287.20245	2.0
291.21017	1.5
309.83493	1.4
311.23859	2.0
337.25330	2.4
339.26715	2.7
363.26688	2.5
401.31873	10.9
402.98111	1.5
419.33063	48.4
430.16006	1.6
437.34140	53.1
437.39725	3.1
455.34915	9.9
565.29114	1.5
667.37677	6.6
685.39526	14.6
703.40674	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	704.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10873	0.3
50.11187	0.2
52.06228	0.2
60.34438	0.2
66.96648	0.3
69.03416	0.7
73.69994	0.3
78.66685	0.3
85.02892	0.5
89.03895	1.2
93.03411	0.4
95.08576	0.4
95.53821	0.3
97.02893	13.3
109.02883	0.5
109.10146	0.6
111.04462	0.4
113.70775	0.3
117.03368	3.7
120.36649	0.3
124.42825	0.3
127.03857	0.4
129.96503	0.3
139.60590	0.3
145.02846	34.9
149.02338	0.5
149.05968	1.7
167.03372	2.7
169.06499	0.3
175.07510	0.5
177.05460	100.0
185.05962	0.3
186.05510	0.4
189.05475	5.0
189.09122	0.6
199.07532	0.6
207.06454	0.6
215.07031	1.3
217.08601	1.2
227.07021	1.6
245.08072	1.5
257.80469	0.3
269.82776	0.3
273.07483	2.4
291.08575	3.1
309.09702	3.7
426.84451	0.3
437.34122	0.4
438.34348	2.0
539.14130	0.6
557.15009	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	705.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06709	0.8
51.77320	0.8
56.30814	1.0
56.31084	0.8
66.95947	1.0
109.10184	5.1
276.80264	1.4
327.09991	1.2
351.05328	1.4
429.43976	1.3
497.18332	2.6
512.16974	15.9
513.17896	14.0
523.15863	8.5
525.17902	9.4
526.18427	18.0
527.19348	1.8
539.19739	2.1
544.19757	1.5
554.25110	2.1
555.19293	5.4
556.19519	4.8
599.21478	13.7
600.22076	14.0
613.23285	10.5
631.24420	4.9
674.25500	2.4
687.27350	1.3
705.27716	100.0
726.55365	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	705.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
77.12766	1.7
83.61877	1.6
113.16981	1.6
115.03938	7.0
168.02838	1.9
251.15292	3.5
263.96957	1.7
285.07446	12.3
312.30450	1.9
330.19629	2.2
397.20285	2.2
410.21152	12.6
425.19290	2.8
438.20334	3.3
439.21353	12.6
452.22034	2.4
465.19113	3.0
466.20032	2.6
467.20486	10.8
470.19577	3.0
495.19983	2.8
505.18848	2.2
511.23251	2.7
523.19611	6.5
537.21204	3.2
538.22443	2.2
539.22565	4.3
555.22314	21.9
567.21863	2.2
626.23572	2.8
651.22815	2.9
669.25574	100.0
687.26447	18.3
705.28918	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	705.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06709	0.8
51.77320	0.8
56.30814	1.0
56.31084	0.8
66.95947	1.0
109.10184	5.1
276.80264	1.4
327.09991	1.2
351.05328	1.4
429.43976	1.3
497.18332	2.6
512.16974	15.9
513.17896	14.0
523.15863	8.5
525.17902	9.4
526.18427	18.0
527.19348	1.8
539.19739	2.1
544.19757	1.5
554.25110	2.1
555.19293	5.4
556.19519	4.8
599.21478	13.7
600.22076	14.0
613.23285	10.5
631.24420	4.9
674.25500	2.4
687.27350	1.3
705.27716	100.0
726.55365	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	705.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43700	1.4
60.05626	3.0
70.06575	1.7
72.04504	8.2
76.05130	39.2
102.05573	2.6
112.05084	7.1
118.05019	14.2
121.56226	1.8
130.06549	8.7
132.08096	2.6
133.50540	1.8
138.05476	1.8
159.07782	2.9
159.09174	60.1
160.07176	27.8
166.01404	1.7
170.06020	6.3
177.09816	29.0
188.07062	10.5
204.57266	1.7
224.30925	1.7
253.09979	1.8
279.14944	2.7
283.12259	3.2
297.16168	24.4
315.17151	8.1
353.46698	1.7
366.73730	1.9
529.24426	2.5
705.33112	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.5
54.52012	2.5
55.05523	7.8
57.07071	5.4
57.30403	2.7
58.70822	3.0
60.57344	2.8
65.09718	3.0
66.96967	2.7
67.05496	23.9
67.72054	3.2
68.42372	2.9
69.03428	22.3
69.07085	26.7
79.05496	3.7
79.81905	3.2
81.03426	14.2
81.07066	46.8
82.11955	3.6
83.08597	5.6
85.02909	52.6
87.00828	22.4
87.63109	3.3
91.05498	4.9
93.07066	26.1
95.08612	73.4
97.02901	24.1
97.10175	5.5
99.04454	15.7
99.52676	3.3
105.01857	25.8
105.07043	22.6
107.08590	71.6
108.73941	3.7
109.02873	12.9
109.10160	92.3
117.07037	5.1
119.08578	46.0
121.10141	54.0
123.11702	22.6
125.09652	4.4
127.03912	46.3
127.11234	3.6
129.01784	3.7
131.08588	14.0
133.10133	34.9
135.11696	35.4
143.08505	11.9
145.04802	4.0
145.10120	32.0
147.11705	45.8
149.13243	22.8
151.14853	4.6
157.10149	26.1
159.02795	6.1
159.11703	44.3
161.13232	49.0
163.11151	3.7
163.14789	14.3
166.60179	3.3
169.10153	3.3
171.11696	27.4
173.13272	36.2
175.11198	4.2
175.14824	33.8
177.16447	5.0
183.11726	6.4
185.13283	22.9
187.14832	26.5
189.16402	12.5
197.13196	4.3
199.14827	20.7
201.16364	24.3
202.16606	4.4
203.14503	4.3
203.17995	13.6
211.14789	7.5
213.16428	14.9
215.17941	5.9
217.15923	5.4
225.16368	16.7
226.10428	3.3
227.17986	13.8
229.19556	6.0
231.05000	5.1
237.16400	6.0
239.17902	8.1
241.19394	3.9
243.21138	3.7
245.19035	4.9
251.17935	6.9
253.19571	4.4
255.21042	5.6
265.19534	7.0
267.21011	6.6
269.22577	5.0
271.20477	4.1
279.21027	27.1
281.22668	4.1
295.24371	6.8
297.22049	26.8
315.23257	49.0
364.30783	4.4
393.34967	5.1
403.33578	31.5
404.33508	5.8
421.34677	100.0
422.35208	24.6
439.35703	77.3
447.24203	4.3
457.36722	4.4
669.39490	14.3
670.39972	17.7
687.40460	14.4
705.42078	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	705.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61685	2.4
53.03964	2.9
65.57179	2.4
67.05496	12.2
69.03431	12.7
69.07063	13.6
71.05000	16.2
73.73571	2.4
75.20974	2.3
81.03415	6.9
81.07050	11.7
83.08616	10.5
84.16805	2.6
85.02906	23.2
87.00850	4.9
92.21513	5.6
93.07037	12.4
95.08593	25.2
97.02885	5.4
97.10169	3.1
99.04426	5.1
100.82745	2.6
105.01853	6.5
105.07042	10.6
107.08573	27.0
109.02876	7.0
109.10163	52.5
109.72693	2.6
117.07020	3.7
119.08572	19.4
121.10146	18.0
123.11694	23.0
127.03902	26.2
127.11207	29.0
131.08568	11.5
133.10130	15.4
135.11670	13.7
137.13315	3.7
143.08574	4.3
145.05003	3.6
145.10135	18.9
147.11671	21.6
149.13260	11.7
155.08556	3.9
157.10069	7.0
159.11716	17.4
161.13205	20.1
169.10162	6.1
171.11667	17.0
173.13258	18.5
175.14871	5.8
177.16498	4.4
183.11635	5.5
185.13269	29.6
187.14818	20.6
197.13231	6.5
199.14836	11.5
201.16447	10.7
211.14793	5.5
213.16368	16.9
225.16327	6.6
227.17917	12.8
238.16763	2.8
239.17924	6.1
253.19589	11.7
299.23822	4.9
421.34625	78.4
439.35681	100.0
457.36798	15.0
669.39771	14.8
687.41388	23.5
705.41760	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	705.4194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.3
55.05519	10.6
57.07063	3.0
59.04998	3.9
67.05503	12.8
69.03427	15.2
69.07073	17.9
71.04987	13.8
73.02923	4.3
75.04308	2.6
81.03426	11.4
81.07052	27.0
83.08621	5.9
85.02908	24.4
87.00817	6.4
91.05474	3.6
93.07035	16.5
95.08607	41.4
95.11605	2.9
97.02892	10.6
97.06528	10.7
97.10179	3.1
99.04469	5.3
99.08089	3.1
103.04801	2.7
105.01876	11.7
105.07053	21.3
107.08589	41.0
109.02859	12.9
109.10158	38.6
117.07005	3.3
119.08584	33.4
121.10118	33.7
123.11703	11.7
125.09647	5.4
127.03913	28.9
127.11179	30.4
129.07030	3.6
131.08566	11.4
133.10146	31.5
135.11688	27.5
143.08560	6.4
143.10672	5.6
145.04985	3.1
145.10161	23.9
147.11688	29.6
149.13246	6.0
157.10129	14.7
159.02885	4.9
159.11673	27.3
161.13249	29.5
163.14833	4.5
169.10147	10.9
171.11673	18.3
173.13272	18.8
175.14844	22.6
177.16403	10.9
183.11713	4.1
185.13232	10.8
187.14790	34.3
189.16403	6.1
195.11765	3.6
197.13188	10.9
198.03659	3.0
199.14859	13.7
201.16386	30.2
203.17981	13.0
211.14745	6.6
213.16341	15.6
215.17921	10.8
216.04219	2.6
225.16365	5.2
227.17943	12.5
239.17880	6.4
253.19437	11.9
269.22769	3.6
279.20963	4.2
295.24005	3.9
403.33578	15.6
421.34671	91.6
439.35706	100.0
457.36429	14.2
633.38000	3.0
651.37921	3.2
669.39587	14.1
687.40680	21.5
705.43323	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	705.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.7
55.05541	2.4
57.20375	1.4
60.13341	1.7
61.02951	1.8
67.05504	8.2
69.03437	7.9
69.07076	15.1
71.04991	3.7
74.36723	1.5
79.42380	1.8
81.03436	2.7
81.07058	11.7
83.08632	4.8
85.02907	12.8
87.00815	2.6
93.07062	3.0
95.08611	25.8
97.02911	17.5
97.06566	2.5
105.01846	2.3
105.07063	7.8
107.08603	16.5
109.02885	3.9
109.10156	45.0
109.15175	1.8
115.13982	2.0
115.84960	1.9
116.33190	1.8
117.03416	2.8
119.08583	21.4
121.10159	12.9
123.11710	12.5
126.88219	1.9
127.03912	8.9
127.11243	3.4
131.08588	4.6
133.10133	11.5
135.08109	1.9
135.11691	9.8
137.13316	2.4
143.08594	3.6
145.02855	36.5
145.04910	1.8
145.10132	14.7
146.03207	13.7
147.11716	7.5
157.10104	9.3
159.11708	14.4
161.13261	8.2
163.14690	2.1
165.24333	1.8
167.03430	2.6
171.10374	2.1
171.11711	8.4
173.13257	12.9
175.14821	4.7
177.05464	100.0
178.05797	41.4
183.11581	3.1
185.13239	12.7
187.14870	8.7
189.16399	2.7
197.13277	3.1
199.14894	9.4
201.16408	3.3
211.14865	2.9
213.16353	4.6
216.35837	2.4
217.15851	2.1
217.19402	2.2
227.18016	3.0
237.16245	2.2
239.17900	2.2
253.19525	8.2
255.20972	2.2
271.20578	2.5
299.23602	7.9
309.09760	2.3
317.24808	2.0
391.34183	2.3
403.33514	11.8
421.34610	50.1
422.34683	2.8
439.35709	30.0
457.36652	9.8
463.23584	2.1
557.14557	3.6
558.14880	10.7
576.08331	2.1
669.38818	8.2
687.40686	8.5
705.41235	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	705.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72119	1.6
53.03959	3.1
55.01873	9.8
55.05511	4.8
57.03440	2.8
61.02932	3.7
65.89016	1.6
67.05508	8.3
68.99787	2.8
69.03436	39.7
69.06754	1.9
69.07069	18.8
71.04978	2.5
73.02926	4.1
79.05499	3.4
81.03429	20.2
81.07047	26.2
83.08624	7.9
85.02912	100.0
85.10164	1.8
87.00836	38.1
91.05511	7.5
93.07045	16.9
95.08606	38.6
97.02889	19.4
99.04459	13.3
105.01877	29.6
105.07034	16.1
107.08591	38.6
109.02892	25.6
109.06483	1.9
109.10162	50.6
115.03883	2.8
119.08575	39.2
121.10148	27.5
123.11697	16.1
127.03922	48.4
131.08553	2.8
133.10155	20.9
135.11703	17.0
137.09682	2.4
137.13264	4.2
145.04976	14.2
145.10124	23.1
147.11682	31.0
149.13321	13.9
157.10068	7.0
159.02837	8.0
159.11649	20.3
161.13261	19.0
163.14828	14.5
171.11696	3.5
173.13271	12.1
175.14697	16.1
177.16473	2.6
187.14792	16.2
189.16391	18.4
191.17958	4.2
199.14862	7.5
201.12848	2.0
201.16409	19.3
203.17960	22.1
213.16344	3.4
215.17963	9.1
217.19521	7.5
223.16972	4.1
231.04971	10.5
233.64153	2.2
249.06017	3.1
269.22504	2.9
280.52338	2.4
305.66690	1.9
377.01129	2.2
381.31607	2.4
393.35187	20.5
399.32623	10.5
403.33539	4.5
411.36215	11.2
421.34665	28.9
439.35675	47.8
457.36795	14.8
669.39539	3.4
687.40320	11.2
705.42639	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	705.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.6
55.05514	3.3
57.07105	1.9
59.66093	1.7
65.33028	1.6
67.05506	9.5
69.03429	9.0
69.07067	13.8
70.03742	1.6
71.05000	27.6
81.03420	9.0
81.07053	19.4
83.08614	4.2
85.02906	17.2
87.00829	7.1
93.07053	19.4
95.08607	31.5
97.02896	10.1
99.04449	2.8
105.01869	3.7
105.07038	10.1
107.08595	24.0
109.02876	10.9
109.10164	61.9
111.08038	1.8
117.07010	3.9
119.08584	25.7
121.10146	27.0
123.11700	23.1
125.09685	2.6
127.03905	17.9
127.11195	67.8
129.06970	2.4
131.08565	17.1
133.10120	16.1
135.11684	14.6
137.13266	9.4
141.12769	8.3
143.08575	10.4
145.10130	25.9
147.11694	20.3
149.13243	14.8
151.11154	1.7
155.08493	3.2
157.10132	14.6
159.02934	3.9
159.11700	20.1
161.13280	14.6
163.14888	1.9
169.10075	7.6
171.11684	23.0
173.13272	22.7
175.14818	9.3
177.12744	1.7
183.11713	9.0
185.13301	24.2
187.14851	18.3
189.16423	3.5
197.13298	10.6
199.14822	16.1
201.16428	8.7
203.18066	3.3
209.13210	2.3
211.14912	12.1
211.57716	1.7
213.16440	18.4
215.17975	2.9
217.15948	1.8
217.19572	2.5
225.16273	14.1
227.17963	12.6
239.17961	12.1
241.19547	3.0
243.17461	3.0
245.18990	3.1
250.06032	1.7
251.17928	2.1
253.19453	18.0
255.21129	2.5
267.21088	3.3
279.21219	2.9
281.22678	7.8
284.10764	1.8
294.23550	3.2
299.23541	13.6
301.08310	1.7
313.25226	2.1
317.24805	8.0
335.27234	2.9
403.33444	4.1
421.34659	100.0
439.35751	76.3
457.36804	19.8
555.56519	1.7
669.39014	3.7
687.40967	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	706.364
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31171	1.0
54.62019	0.9
55.05517	2.4
57.03437	5.3
66.01218	0.9
67.05510	11.9
69.07072	9.8
77.17374	0.8
79.05496	4.9
81.07063	44.5
83.04978	4.0
83.08624	5.9
85.02904	2.1
85.06550	1.5
91.05470	10.7
92.21112	1.7
92.41401	1.0
93.07050	8.0
95.08608	10.1
97.06531	4.6
97.45498	0.9
99.08105	4.1
101.06025	1.3
105.07020	17.3
107.08620	13.1
109.02827	1.1
109.06531	3.9
109.10184	1.7
119.08561	19.5
121.10133	19.1
123.08079	4.1
123.11703	32.2
125.41075	1.0
127.07549	5.5
131.08597	1.0
133.10121	1.8
136.85408	1.0
137.13214	3.8
141.01814	1.9
147.11690	100.0
157.10048	2.0
165.12746	38.3
175.11165	2.4
183.13817	1.4
229.14407	4.7
267.15903	61.0
285.16962	60.1
443.18988	1.0
461.20288	1.7
477.28561	9.0
495.29526	95.3
513.30524	1.7
653.31818	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	707.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
58.79358	0.5
69.03423	1.1
76.42629	0.5
81.03430	3.0
82.03745	0.6
84.85256	0.6
85.02914	5.2
86.03238	0.7
87.00831	1.0
97.02895	4.0
99.04457	0.9
103.03983	0.7
109.02878	6.2
110.03238	1.2
127.03886	6.8
127.24583	0.6
128.04266	2.4
188.70407	0.7
192.25322	0.6
213.03922	0.7
231.05083	0.9
232.05241	0.9
281.13028	0.6
301.07275	3.0
310.87997	0.7
511.16437	1.1
512.17041	8.5
513.17566	1.3
514.15057	3.9
515.15271	4.9
521.18402	1.0
522.19080	3.3
525.17700	19.8
526.18726	1.0
527.15137	5.4
528.16681	3.4
529.16956	5.8
539.19287	4.2
541.17224	2.6
543.19061	1.1
555.19293	3.9
557.16736	0.8
572.19043	2.5
574.17120	3.6
599.21362	1.1
601.19733	1.4
615.20782	5.3
616.21564	14.1
630.23340	1.0
646.23157	0.9
675.22784	3.9
676.23663	6.1
707.25574	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29211	0.4
51.73851	0.4
52.39096	0.4
52.66015	0.4
53.03958	0.6
58.59756	0.4
69.03459	0.9
81.03445	0.7
85.02920	2.0
86.31541	0.6
86.87482	0.4
90.77374	0.5
92.20998	1.7
92.21587	0.8
94.12172	0.5
97.02905	3.2
99.04448	0.6
101.05155	0.5
105.01878	0.6
109.02873	4.1
114.66556	0.5
115.12945	0.6
119.08578	0.5
127.03920	3.9
128.04257	1.0
213.56053	0.5
231.05008	0.8
232.05127	0.5
239.67802	0.5
247.17873	0.5
301.07104	3.9
318.23740	0.5
368.44672	0.5
507.15851	0.6
511.16251	0.7
512.16962	9.0
513.17847	1.0
514.14990	4.6
515.15680	2.5
521.18127	1.1
522.18866	2.4
525.17645	17.0
527.15344	5.8
528.16528	2.4
529.17157	6.3
538.17889	0.6
539.19958	4.0
541.17462	1.1
543.18970	2.4
547.17969	0.6
551.15344	0.9
552.20599	0.6
555.18365	3.7
566.18768	0.8
569.17120	0.8
571.18958	2.4
572.19128	0.9
573.24426	0.8
574.16864	2.5
585.19653	0.6
587.21014	0.8
599.21600	0.8
611.18207	0.6
615.20801	4.7
616.21704	13.1
617.22888	0.7
629.22968	0.7
630.23535	3.5
646.22284	1.8
675.23364	3.0
676.23962	7.2
696.33679	0.6
707.25653	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	707.436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	3.1
60.84059	2.3
67.05505	4.9
69.03438	12.7
69.07059	12.0
71.05000	17.3
73.88110	2.2
79.05501	4.0
81.03422	4.6
81.07065	24.2
83.08627	12.5
85.02911	25.7
87.00826	12.9
91.05460	5.3
93.07043	15.1
95.08608	41.7
97.02868	9.0
97.10188	3.6
99.04409	3.0
105.01889	13.0
105.07017	12.0
107.08590	21.8
109.02876	11.3
109.10168	47.8
117.07017	4.1
117.52724	2.4
119.08527	21.6
121.10133	28.2
123.11704	15.4
127.03930	15.0
127.11192	35.1
129.01784	3.1
131.08572	10.8
133.10123	19.8
135.11713	22.0
137.13272	6.1
141.12750	3.6
145.10130	20.9
147.11665	20.6
149.13257	11.1
157.10080	5.6
159.02890	4.0
159.11688	24.4
161.13293	12.7
163.14844	8.7
167.17024	2.4
169.34470	2.5
171.11687	15.4
173.13278	13.9
175.14809	14.3
182.23662	3.3
185.13321	3.8
187.14883	18.5
189.16403	12.4
199.14810	5.3
201.16397	15.8
207.76318	2.4
215.18066	4.1
227.18025	5.6
229.19452	18.0
241.19493	12.2
255.20993	6.0
267.21249	3.0
269.22510	3.1
297.25867	3.1
311.27621	2.5
349.28870	2.7
405.35327	9.3
423.36230	100.0
441.37396	28.5
453.87509	3.1
671.40924	4.1
689.42151	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	708.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40322	0.6
56.11135	0.5
67.16991	0.7
77.39231	0.7
93.14459	0.6
113.37312	0.7
173.19019	0.8
210.96800	0.8
293.86163	0.7
355.92651	0.9
365.16052	0.8
407.22409	1.0
420.23029	1.7
421.23962	1.7
444.23486	0.9
458.24783	2.9
459.22061	1.0
461.22647	0.8
474.23239	1.0
475.21741	3.4
476.20291	14.2
485.23608	3.1
486.24957	0.8
488.20572	1.3
489.22516	1.0
490.22092	16.5
491.22867	1.8
501.22998	1.4
502.22321	13.0
503.23718	7.8
504.23865	3.1
516.23767	10.2
517.25049	15.6
518.25604	16.2
522.29987	3.1
528.27228	0.8
530.25360	5.5
532.74438	0.9
534.30176	2.8
535.27045	3.1
545.25586	22.7
547.22882	3.5
561.24487	4.4
562.25623	4.7
572.26105	1.2
573.24585	5.1
576.26038	3.2
590.27545	8.1
603.28876	1.2
604.29163	25.3
605.27954	28.9
631.27838	1.7
649.28992	39.1
708.30261	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91647	0.5
64.78037	0.4
67.05520	0.5
79.36100	0.5
81.07108	0.5
83.67246	0.5
90.95989	0.5
92.21530	0.7
93.07045	0.8
170.55536	0.5
349.00900	0.6
373.50729	0.5
409.07837	0.5
429.20663	0.6
444.23111	3.2
457.24228	1.0
458.24902	4.9
459.21631	5.9
460.22876	0.6
472.22531	9.1
473.23386	2.8
476.21310	3.2
485.23459	17.2
486.19720	1.7
486.24326	3.4
490.22385	1.2
499.21234	0.9
500.22092	2.8
502.22964	2.9
503.24246	3.0
513.22955	3.3
514.23419	1.1
515.24536	0.6
516.23828	2.2
517.25891	13.5
518.25214	2.1
529.26141	2.4
531.24048	1.0
545.25488	92.5
573.25012	20.4
591.26160	0.9
604.29657	3.6
605.27606	100.0
634.26746	0.6
649.28900	6.2
708.30444	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	708.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29800	0.3
55.60884	0.4
58.03072	0.4
80.69410	0.4
82.57595	0.4
83.04325	0.4
89.57791	0.5
90.98676	0.3
171.80948	0.4
269.74954	0.5
429.20627	0.8
430.21109	0.5
433.42456	0.5
444.23181	2.9
457.23746	2.0
458.24792	5.8
459.21762	5.6
471.21814	0.6
472.22522	8.4
473.23190	3.0
476.21243	0.6
485.23474	15.8
486.19577	1.8
486.24258	4.4
487.24603	0.7
490.23914	0.5
499.20941	0.6
500.21674	1.6
502.23642	0.7
503.24460	2.9
513.23047	3.8
514.23523	1.5
517.25922	12.5
529.26068	2.0
545.25488	96.1
558.22961	0.6
573.24939	22.5
605.27582	100.0
708.31982	1.0
708.43152	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	708.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11406	0.7
55.05518	1.3
57.03452	6.9
63.77572	0.8
67.05510	4.0
69.07069	1.0
75.47346	0.8
79.05505	4.8
81.07072	8.1
84.31106	1.0
85.02906	5.0
90.55385	0.9
91.03950	2.2
91.05470	8.8
92.21027	1.4
92.21500	1.0
93.07048	9.8
94.54752	0.9
95.08611	7.7
97.02905	1.2
99.04455	1.6
102.06388	0.8
105.07021	9.1
107.08593	6.1
109.10169	5.3
117.07017	3.7
119.08575	9.5
121.10136	5.2
129.24832	0.9
129.34471	0.8
131.08588	7.1
133.10138	7.0
135.08066	1.2
135.11703	3.6
145.10114	5.4
147.11679	4.5
149.09657	1.7
149.45972	1.0
159.11676	4.6
161.13304	1.2
168.87115	1.0
173.13246	1.8
180.06824	0.9
181.59933	1.1
185.13200	3.9
201.16365	1.9
203.14345	3.4
219.17438	100.0
257.19113	1.1
275.20102	9.0
308.73965	1.0
313.41821	0.9
349.23721	68.1
367.24768	23.8
493.32864	0.9
511.28088	1.4
511.34637	1.9
673.34485	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	708.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74704	2.0
53.03952	3.6
55.05518	3.0
67.05508	13.3
69.03413	8.8
69.07059	11.5
71.04987	2.1
71.08618	2.1
73.02886	2.7
81.03419	12.9
81.07049	17.2
82.04869	2.2
83.08612	2.6
85.02909	28.7
85.10215	2.3
87.00819	10.3
88.12742	1.8
89.38909	1.9
92.21105	3.6
93.07050	8.6
95.08617	21.9
97.02910	21.2
99.04485	8.7
99.08092	4.8
103.03908	5.1
105.01865	11.1
105.07011	8.0
107.08588	15.6
109.02880	40.3
109.10160	32.9
117.07006	3.0
119.08591	35.6
121.10143	14.1
123.08085	2.2
123.11734	4.0
127.03914	48.4
131.08580	4.0
133.10135	21.5
135.08055	2.5
135.11696	4.0
137.09631	3.3
143.08553	9.1
145.04974	9.1
145.10121	31.3
147.11713	14.4
152.28654	2.4
155.08568	2.7
157.10136	13.6
159.02943	5.3
159.11678	12.3
161.13240	9.0
164.41055	2.0
169.10153	12.7
171.11671	19.6
173.13297	9.1
175.14816	9.5
183.11673	10.1
185.13217	16.1
187.14796	4.6
195.11613	3.5
197.13289	8.5
199.14789	4.1
207.11574	2.2
209.13313	4.1
211.14775	2.6
213.03915	3.8
223.14783	4.0
229.15721	2.7
231.04921	15.1
235.14651	4.3
237.16327	3.5
239.18033	3.7
249.06107	5.0
251.17955	3.7
263.17902	8.7
275.17850	3.2
277.19434	4.0
281.18964	3.5
289.19586	2.8
295.20389	2.4
301.22440	2.4
303.21036	4.4
305.22610	3.2
307.20822	2.6
333.22037	2.9
363.22977	2.5
375.09076	5.2
377.24860	4.8
393.10266	4.1
411.25208	9.0
415.29871	12.3
433.30954	34.7
437.26932	3.1
451.32251	14.6
475.32208	8.8
493.33090	88.8
511.34219	31.6
512.15979	3.0
513.17200	3.8
526.18079	11.8
528.15503	3.3
544.19006	2.4
616.21271	2.9
617.21332	8.8
677.23285	3.4
708.25842	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.1
55.05522	2.3
67.05515	10.0
68.05735	1.0
69.07085	9.4
72.38139	1.0
79.05497	1.8
81.07067	12.4
91.05480	1.4
93.07030	8.4
95.08613	17.8
96.61501	1.1
99.08101	2.6
103.82148	1.4
105.07040	6.3
107.08605	9.7
109.06500	1.5
109.10166	39.4
111.08087	1.5
117.07037	2.5
119.08575	8.6
121.10132	10.4
123.08036	1.4
123.11683	4.7
127.03935	2.0
131.08560	7.4
133.10129	8.1
135.11678	6.8
143.08565	2.7
145.10130	8.8
147.08040	2.8
147.11691	8.0
149.13216	2.9
150.65308	1.3
155.08618	1.9
157.10153	8.4
159.11668	8.0
161.09570	2.6
161.13240	7.3
163.07521	1.2
169.10100	5.1
171.11682	7.1
173.09544	1.3
173.13229	7.1
175.14848	7.2
181.10121	4.2
183.11691	4.8
185.09659	2.8
185.13255	6.3
187.11172	1.6
187.14749	9.9
189.16377	2.0
195.11760	6.1
197.09564	1.7
197.13284	2.6
199.14796	2.8
201.12624	1.6
201.16422	2.1
207.11775	1.8
209.13277	2.3
211.11183	5.5
211.14789	5.9
213.12717	2.2
213.16312	1.7
215.14403	1.7
223.14754	4.4
225.12769	4.8
225.16357	4.7
227.14435	1.7
227.17938	2.9
235.14818	2.0
237.16331	2.7
239.14240	1.5
239.17984	1.9
241.15924	2.6
247.14848	1.9
251.17981	2.6
253.19473	1.3
255.17340	1.4
263.17899	2.1
267.17258	2.0
275.17874	1.5
277.19360	1.7
279.21127	1.5
289.19308	1.3
305.22620	2.4
309.22058	2.3
321.22168	4.9
323.23712	2.7
331.24194	1.4
333.22211	2.5
345.25452	1.5
349.25381	2.0
351.23129	7.3
369.24100	2.1
377.24619	1.5
387.30582	2.8
403.29779	2.2
405.31543	4.6
415.30042	1.9
429.26419	13.6
433.31204	15.8
451.32013	13.2
463.31943	1.9
464.57526	1.5
475.32220	1.6
493.33273	21.0
511.34259	100.0
737.77454	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	710.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36271	0.9
52.58737	0.8
55.05520	5.6
57.03443	10.1
57.07066	1.3
61.02935	10.8
67.05515	19.5
69.07067	6.3
71.04997	2.4
73.02916	4.2
79.05507	18.8
81.07060	24.8
83.08620	5.2
85.02914	15.2
85.06549	2.4
91.03952	8.8
91.05475	11.6
93.07044	32.4
95.04944	1.9
95.08611	26.2
97.02895	7.5
97.06547	1.5
97.10190	1.4
99.04465	1.1
99.08171	3.5
105.07043	20.3
105.55683	1.0
107.08604	27.5
109.06535	2.4
109.10159	16.6
111.08041	2.1
113.09628	1.7
117.07016	9.1
119.08582	23.6
121.10160	27.9
123.08035	1.6
123.11721	1.5
125.09583	1.4
127.03911	6.0
129.07004	1.7
131.08578	15.0
133.10139	26.0
135.11702	19.1
137.09564	1.9
143.08604	6.4
145.04977	2.6
145.10132	17.6
147.11687	22.9
149.13272	10.5
151.11208	1.4
157.10150	4.5
159.11736	15.4
161.13278	13.1
163.06030	4.9
163.11148	1.7
163.14871	2.3
165.12733	2.0
171.11700	2.7
173.13162	7.8
175.14847	4.0
177.12683	1.3
185.13260	7.4
187.14853	7.5
193.10490	1.2
199.14839	2.1
201.16408	2.4
201.65714	1.1
205.15936	2.3
216.70369	1.0
219.17400	2.0
221.19051	1.5
233.15456	1.5
241.19373	9.2
259.20566	22.3
269.17456	2.7
277.21628	14.8
311.22104	1.3
317.24106	1.1
333.24347	1.8
351.25293	100.0
369.26404	12.6
427.80276	1.4
477.28244	4.4
495.29053	3.7
513.30396	9.8
531.31506	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	710.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47687	1.5
52.33564	1.3
52.78547	1.3
55.71921	1.4
61.02913	1.6
65.83746	1.3
67.05511	10.1
69.07072	1.9
71.08641	20.2
79.05493	7.2
81.07052	13.4
83.08612	3.4
85.02894	6.3
91.05492	3.3
93.07056	11.6
95.08624	14.4
99.08086	16.7
105.07047	6.8
107.04930	1.9
107.08588	9.5
109.10143	2.1
119.08582	7.3
121.10150	15.9
127.55653	1.5
131.08559	2.5
133.10109	2.9
135.11708	16.0
143.61873	1.5
147.11661	2.8
149.13252	7.2
151.11194	3.8
159.11710	1.9
161.13243	2.7
171.11656	1.8
174.42918	1.8
175.14801	1.7
178.82922	1.7
179.14316	47.7
277.21710	14.8
298.79492	1.9
341.83859	1.8
351.25296	100.0
369.26270	21.6
406.37607	1.7
441.39148	1.6
512.12170	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	710.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.4
57.03427	1.2
57.07078	0.9
57.15359	0.9
61.02937	12.3
65.56886	0.8
67.05519	10.9
69.03436	1.6
69.07079	4.5
73.02914	4.4
79.05501	13.0
81.07056	14.9
81.35338	0.9
83.08626	3.7
85.02922	14.9
85.06595	0.9
91.03955	16.4
91.05481	11.2
93.07042	20.5
95.04942	1.6
95.08618	12.2
97.02869	6.8
99.08131	1.1
104.58161	1.0
105.07031	16.5
107.08604	15.7
109.02958	0.9
109.06521	1.0
109.10150	9.6
115.70750	0.8
116.11671	1.2
117.06996	4.7
119.08555	20.9
121.10129	13.5
125.56853	1.2
127.03909	6.9
129.07057	2.2
131.08568	7.0
133.10121	22.6
135.11713	13.0
137.09650	1.1
143.08545	4.4
145.04968	5.3
145.10110	9.5
147.11681	20.6
149.09615	1.7
149.13245	8.6
157.10124	5.0
159.11696	13.1
161.13245	15.3
163.06015	4.0
163.14763	2.4
171.11656	8.3
173.13287	6.6
175.11197	1.1
175.14822	8.3
185.13283	7.8
187.14766	1.0
199.14824	6.3
231.21014	1.6
241.19450	8.4
258.00558	1.1
259.20593	30.0
349.23618	1.4
351.25284	100.0
441.26239	1.8
459.27475	2.1
477.28513	4.9
495.29477	7.5
629.15485	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	710.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.4
57.03427	1.2
57.07078	0.9
57.15359	0.9
61.02937	12.3
65.56886	0.8
67.05519	10.9
69.03436	1.6
69.07079	4.5
73.02914	4.4
79.05501	13.0
81.07056	14.9
81.35338	0.9
83.08626	3.7
85.02922	14.9
85.06595	0.9
91.03955	16.4
91.05481	11.2
93.07042	20.5
95.04942	1.6
95.08618	12.2
97.02869	6.8
99.08131	1.1
104.58161	1.0
105.07031	16.5
107.08604	15.7
109.02958	0.9
109.06521	1.0
109.10150	9.6
115.70750	0.8
116.11671	1.2
117.06996	4.7
119.08555	20.9
121.10129	13.5
125.56853	1.2
127.03909	6.9
129.07057	2.2
131.08568	7.0
133.10121	22.6
135.11713	13.0
137.09650	1.1
143.08545	4.4
145.04968	5.3
145.10110	9.5
147.11681	20.6
149.09615	1.7
149.13245	8.6
157.10124	5.0
159.11696	13.1
161.13245	15.3
163.06015	4.0
163.14763	2.4
171.11656	8.3
173.13287	6.6
175.11197	1.1
175.14822	8.3
185.13283	7.8
187.14766	1.0
199.14824	6.3
231.21014	1.6
241.19450	8.4
258.00558	1.1
259.20593	30.0
349.23618	1.4
351.25284	100.0
441.26239	1.8
459.27475	2.1
477.28513	4.9
495.29477	7.5
629.15485	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	710.395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79844	1.3
55.05522	2.2
57.03433	2.4
57.50108	1.1
61.02932	2.2
63.13189	1.5
67.05519	12.4
69.07062	9.8
71.08630	3.3
79.05502	8.3
81.03423	3.7
81.07063	13.9
83.04993	3.2
83.08649	1.9
85.02941	2.0
91.05446	5.2
93.07037	15.4
95.04986	11.1
95.08624	12.6
97.10181	2.1
99.08090	6.4
105.07046	8.2
107.08598	12.5
109.10145	7.3
109.62886	1.7
119.08580	1.8
121.10154	3.7
123.11717	2.6
125.09596	6.7
133.10144	9.9
135.07988	1.7
135.11702	8.7
147.11670	6.4
149.13257	8.4
151.11182	36.1
154.36911	1.4
161.09734	1.6
161.13275	9.7
163.14822	2.6
165.12724	2.3
173.13341	2.0
175.11188	1.8
175.14842	2.2
179.14340	3.4
181.29042	1.5
185.13264	2.0
199.14822	1.7
231.21159	3.3
241.19527	1.8
249.22130	2.4
259.20593	1.9
277.21652	29.5
347.76120	1.8
351.25296	100.0
369.26349	30.1
476.62137	1.6
496.58829	1.6
513.31140	2.5
648.29877	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	710.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05534	2.9
60.88736	0.5
67.05513	23.5
68.19377	0.6
69.03433	0.9
69.07082	6.0
72.77120	0.6
76.81113	0.6
79.05511	3.4
80.02496	0.6
81.07058	13.7
83.08643	1.6
85.02950	2.9
91.05497	2.9
93.07044	5.6
95.04994	0.8
95.08597	14.2
95.09087	0.8
101.27187	0.6
103.55574	0.6
105.07047	6.2
107.08591	14.5
109.06524	1.1
109.10158	100.0
117.07014	0.9
118.96250	0.7
119.08569	16.4
121.06531	1.6
121.10143	15.4
123.08085	1.1
123.11718	5.4
125.09617	0.7
127.03966	1.6
131.08594	3.7
133.06496	0.6
133.10129	11.0
135.08078	3.4
135.11691	5.5
137.09625	1.3
139.11169	0.6
143.08582	1.3
143.96719	0.7
145.10124	14.0
147.08052	1.3
147.11690	10.4
149.05994	1.0
149.09660	3.3
149.13245	4.7
151.11168	0.8
155.08607	1.0
157.10094	6.6
159.08150	0.7
159.11656	8.0
161.09642	2.8
161.13231	5.7
163.11182	1.3
163.14894	1.1
165.09036	0.7
169.10165	4.2
171.11676	9.0
173.09660	3.3
173.13219	8.3
175.11211	5.6
175.14821	6.6
177.12683	0.8
183.11684	5.6
185.13309	5.7
187.11201	1.6
187.14833	8.1
189.12732	1.1
195.11693	1.0
197.13374	3.5
199.14865	4.1
201.12759	1.2
201.16422	0.8
203.14565	0.8
209.13318	1.5
211.14923	3.0
213.12923	0.8
213.16460	3.3
215.14392	4.2
215.17908	0.9
223.14732	1.4
225.12546	0.8
225.16371	7.4
227.17992	2.6
229.15924	0.8
231.17555	0.8
233.15385	1.5
235.14861	0.9
235.73981	0.8
237.16440	1.5
239.18044	3.4
241.15953	2.6
241.19528	5.2
243.17430	3.1
249.16318	0.9
251.17902	5.2
253.19527	1.5
255.17439	3.3
265.19479	2.9
267.17331	0.7
269.19031	3.8
277.19608	0.9
281.22830	0.6
285.18591	0.8
291.21259	1.5
309.22260	1.3
327.23099	1.1
335.23721	2.5
347.27368	1.4
361.25616	0.8
366.11688	0.8
387.25241	3.6
399.30270	3.5
417.31494	25.3
417.36920	1.3
435.32596	14.9
459.32486	1.1
477.26706	1.0
477.33588	27.1
489.97992	0.6
495.34683	35.5
513.35742	32.5
597.37537	1.6
653.65192	0.7
657.39734	2.8
710.27502	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	710.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05273	1.5
53.70021	1.5
54.19291	1.6
67.05511	3.0
69.07083	1.8
71.26103	1.8
73.14420	1.6
75.15530	2.1
77.72315	2.0
79.05555	2.1
81.07066	10.8
81.72279	1.6
85.02863	1.8
91.05520	2.4
92.20921	2.0
93.07024	2.9
95.08611	11.8
105.07027	4.1
107.08604	8.6
109.10147	29.4
119.08569	14.7
121.10141	4.5
131.08577	8.2
133.06479	2.7
133.10127	7.1
135.04431	3.2
135.08083	2.8
135.11722	3.1
145.10139	17.8
147.11697	8.1
148.63322	1.8
149.06015	12.2
157.10153	2.5
159.07980	2.2
159.11697	8.5
161.13304	7.6
169.10054	2.0
171.11714	3.4
173.09604	2.9
173.13246	9.6
175.11180	17.8
175.14833	4.1
182.43076	1.8
185.13306	4.1
186.19597	1.8
187.14818	28.3
195.11780	2.3
199.14848	2.1
201.16434	2.4
201.27528	1.9
203.14330	2.0
213.16341	2.4
215.14328	23.7
225.16389	2.4
233.15353	16.3
241.15938	2.3
359.27438	3.1
377.28384	3.9
417.31506	10.1
435.32852	15.0
437.30453	12.0
449.63699	2.1
477.33704	26.9
495.34744	100.0
513.35608	3.8
644.57422	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	710.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13716	1.8
55.05527	2.5
58.08821	2.0
61.52986	1.9
67.05511	5.5
69.07057	8.8
79.05521	2.5
81.07064	17.8
83.08620	2.8
85.02895	3.4
93.07046	9.8
95.08069	2.0
95.08610	21.3
97.10163	2.5
105.07001	9.3
107.08590	16.3
109.02857	2.6
109.06585	2.5
109.10181	32.6
112.03072	2.5
119.08572	17.1
121.10140	14.3
123.11673	4.4
125.09637	3.2
131.08572	2.6
133.10141	12.0
135.11678	14.9
143.08527	3.1
145.10156	9.5
147.11693	4.5
149.09683	2.7
149.13231	3.8
157.10135	10.3
159.11684	10.0
161.13289	11.6
163.18448	2.3
171.11746	4.9
172.77580	2.5
173.13264	4.9
175.14848	16.3
183.11691	8.3
185.13312	3.2
187.11247	2.5
187.14792	12.3
195.11644	3.8
197.13200	4.7
199.14871	3.7
201.16318	4.4
209.13364	2.8
211.14728	4.6
213.16278	3.2
223.14780	3.3
229.15858	2.7
235.14702	4.3
237.16350	3.4
239.17990	3.1
249.16393	4.0
251.17924	3.7
253.19435	3.0
263.17987	3.7
265.19299	2.9
281.19138	3.3
283.20572	4.1
331.24072	2.9
354.23111	12.5
365.24652	11.8
372.24020	8.6
379.25931	3.1
391.26093	4.2
413.26837	14.2
417.31366	10.5
435.32578	24.8
443.80664	4.8
444.31003	5.5
453.33728	10.2
477.33496	23.6
495.34717	100.0
513.35797	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	711.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.5
55.01862	0.6
57.03434	0.3
61.02919	0.4
68.99772	0.3
69.03111	0.3
69.03441	4.9
71.04988	0.3
73.02909	0.4
81.03428	4.5
84.08189	0.2
84.51357	0.2
85.02911	10.7
87.00833	3.5
97.02905	3.0
99.04469	1.9
105.01880	3.1
107.08595	0.3
109.02883	3.9
117.01848	0.4
127.03917	6.7
129.01805	0.4
145.04965	1.3
159.02887	2.8
176.15739	0.3
207.88739	0.3
213.04076	0.2
231.05014	1.7
286.04590	0.3
301.07056	100.0
463.12332	20.7
549.12415	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	711.1759
Annotation	Peonidin 3-(6'-malonylglucoside)-5-glucoside
Peak:m/z	Relative Intensity
53.03945	1.2
55.01870	0.5
57.03437	0.3
61.02927	0.5
68.99783	0.4
69.03436	3.9
73.02932	0.5
80.09184	0.2
81.03424	3.8
84.21368	0.3
85.02908	6.3
87.00839	2.2
97.02881	2.4
99.04451	1.5
105.01868	1.3
109.02884	3.6
117.01833	0.5
127.03914	4.6
129.01889	0.5
145.04988	1.1
159.02890	2.3
206.63770	0.3
231.05049	0.6
298.60275	0.4
301.07056	100.0
339.68396	0.3
463.12335	42.0
549.12231	0.4
711.17023	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	711.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.2
55.01888	0.4
57.03415	0.6
59.35598	0.2
61.02923	0.4
64.27892	0.3
66.82472	0.2
69.03434	3.7
71.04979	0.6
73.02897	0.4
80.76379	0.3
81.03430	4.1
85.02911	6.7
87.00832	2.6
91.03935	0.4
97.02911	2.4
99.04456	1.8
105.01861	1.7
109.02883	4.0
117.01867	0.5
121.14436	0.3
126.28362	0.3
127.03902	6.1
129.01837	0.4
132.46504	0.3
145.04990	1.3
147.11697	0.4
159.02864	2.3
178.80103	0.3
231.04944	1.3
301.07059	100.0
347.12320	0.3
353.11456	0.5
413.13504	2.4
463.12350	31.8
517.23193	0.3
554.21240	1.8
626.11121	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	711.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67352	0.2
53.03946	0.4
55.01866	1.0
57.03429	0.4
61.02938	0.4
62.22133	0.2
69.03436	3.3
71.15212	0.2
73.02905	0.4
80.50288	0.2
81.03423	4.9
85.02431	0.3
85.02913	6.8
86.16304	0.3
87.00838	2.9
91.03945	0.2
92.21129	0.8
97.02898	3.0
99.04445	1.6
99.16527	0.2
105.01875	1.1
109.02888	4.6
117.01842	0.4
120.08104	0.3
125.51845	0.2
127.03928	5.2
129.01828	0.5
145.04990	0.5
154.05002	2.4
159.02870	2.9
175.88411	0.2
177.05467	0.4
208.09581	0.5
231.05043	0.4
286.04730	0.3
301.07062	100.0
351.09442	0.3
355.12744	1.4
383.12280	0.4
386.21536	0.3
415.14911	0.4
463.12366	31.4
505.13150	0.3
522.18536	0.9
554.21735	2.4
554.29681	0.3
629.22388	0.4
661.25262	0.4
711.16638	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	711.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.9
55.01872	0.7
55.05510	0.2
57.03431	1.0
59.07148	0.2
61.02929	0.4
66.90665	0.2
69.03436	3.6
70.06606	0.7
71.04995	5.3
72.08144	0.2
72.72935	0.2
73.02918	1.0
81.03426	4.4
83.04985	0.4
85.02908	12.7
86.09706	0.2
87.00825	3.0
87.75825	0.2
97.02893	2.9
99.04464	2.2
105.01874	1.8
109.02875	5.1
111.04419	0.3
117.01847	0.3
127.03922	5.7
129.01842	0.4
129.05595	0.6
131.00560	0.2
139.03812	0.2
145.04965	1.8
147.02843	0.2
153.01826	0.3
159.02859	2.8
177.05489	0.2
197.12654	0.2
213.03935	0.3
231.04994	0.7
257.04431	0.2
272.38516	0.2
285.03946	1.3
301.07043	14.8
302.04221	3.6
317.06552	100.0
359.07507	0.4
385.03061	0.2
389.48050	0.2
463.12064	0.3
549.12195	0.3
554.21008	0.7
564.71381	0.2
565.11914	10.9
633.05688	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	711.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.9
55.01872	0.7
55.05510	0.2
57.03431	1.0
59.07148	0.2
61.02929	0.4
66.90665	0.2
69.03436	3.6
70.06606	0.7
71.04995	5.3
72.08144	0.2
72.72935	0.2
73.02918	1.0
81.03426	4.4
83.04985	0.4
85.02908	12.7
86.09706	0.2
87.00825	3.0
87.75825	0.2
97.02893	2.9
99.04464	2.2
105.01874	1.8
109.02875	5.1
111.04419	0.3
117.01847	0.3
127.03922	5.7
129.01842	0.4
129.05595	0.6
131.00560	0.2
139.03812	0.2
145.04965	1.8
147.02843	0.2
153.01826	0.3
159.02859	2.8
177.05489	0.2
197.12654	0.2
213.03935	0.3
231.04994	0.7
257.04431	0.2
272.38516	0.2
285.03946	1.3
301.07043	14.8
302.04221	3.6
317.06552	100.0
359.07507	0.4
385.03061	0.2
389.48050	0.2
463.12064	0.3
549.12195	0.3
554.21008	0.7
564.71381	0.2
565.11914	10.9
633.05688	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	712.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35893	0.3
52.35526	0.4
54.59956	0.4
66.40494	0.5
69.03438	1.9
78.19822	0.5
81.03434	1.1
83.35482	0.5
85.02917	3.1
87.00815	0.7
99.04460	0.6
109.02897	0.9
111.08032	0.6
134.09612	0.5
136.07590	3.6
162.09146	4.9
168.10208	6.2
180.10176	11.5
190.08647	1.1
194.08186	0.7
204.10231	0.7
206.08151	1.1
208.09688	32.9
220.09636	1.0
230.08148	2.1
232.09798	0.6
244.09695	2.4
248.09070	0.9
250.86520	0.5
256.05902	0.8
258.07678	2.6
262.10580	0.6
270.07666	0.7
272.09207	1.1
274.07428	0.6
276.08640	9.0
282.07755	1.2
288.08633	6.8
290.10291	1.0
296.09207	0.5
298.07211	0.8
301.07034	26.6
302.07364	28.4
314.10019	0.9
316.08121	25.3
317.09116	0.7
318.09708	3.7
324.08752	1.0
324.97659	0.6
326.10263	0.9
342.09744	3.1
348.10770	20.0
352.08221	6.0
370.09216	9.9
374.12369	0.7
416.13727	0.9
451.18768	0.9
463.12228	5.4
464.12717	12.9
477.16415	0.5
478.48889	0.6
491.14230	0.6
505.16116	3.5
523.17310	2.2
555.19733	100.0
714.06104	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04526	5.4
69.03420	6.0
70.06621	1.4
71.05000	1.3
73.02923	1.2
80.04986	1.2
81.03426	6.7
81.07078	1.5
84.04035	2.4
84.04511	43.0
85.02934	8.5
87.00821	1.5
95.08618	2.7
96.04515	8.7
97.02899	6.6
98.06067	12.3
99.04479	1.8
106.46296	1.1
108.04466	2.7
109.02868	8.6
109.10154	4.6
111.12930	1.3
115.77149	1.2
117.63869	1.1
126.05517	90.7
127.03930	8.6
137.93004	1.3
138.05516	100.0
144.06546	18.2
159.02989	2.3
164.76535	1.2
165.16331	1.7
168.06560	31.7
183.17546	1.7
186.07629	25.0
191.99231	1.3
204.08705	8.8
247.00717	1.3
301.07086	26.1
302.07388	17.3
348.10297	1.3
428.26498	27.4
446.21548	2.2
446.27509	51.6
463.12210	2.6
464.12628	7.0
464.28131	2.3
555.79193	1.5
615.99237	1.3
619.60480	1.3
694.32886	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	712.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27771	2.4
55.05510	5.9
57.58467	2.7
67.05499	32.3
69.03426	5.3
69.07073	27.4
81.07053	33.9
83.08618	5.0
85.02921	4.4
91.05474	7.3
92.20906	4.1
93.07036	19.2
95.08605	57.6
101.25135	2.9
105.07036	17.4
107.08590	47.0
109.10158	100.0
109.11372	2.9
119.08565	42.0
121.10136	34.8
121.47174	3.1
123.08089	3.3
123.11683	14.9
131.08563	13.9
133.10118	29.8
135.08032	5.1
135.11682	28.3
141.07036	3.2
143.08524	4.1
145.10123	43.7
147.11673	22.6
149.13171	9.8
157.10091	23.3
159.11667	25.3
161.13264	22.8
163.14786	4.8
169.10133	12.7
171.11610	26.9
173.09546	3.1
173.13289	29.3
175.14847	13.6
181.10146	3.1
183.11705	13.9
185.13283	23.5
187.14825	22.9
189.16393	6.5
195.11748	5.2
197.13271	13.2
199.14806	14.4
201.16380	6.2
209.13211	10.5
211.14809	6.5
213.16353	13.3
223.14804	14.6
225.16481	7.0
227.17937	7.0
231.17532	3.4
237.16464	24.8
239.17905	11.6
241.19475	4.3
249.16335	3.8
251.17929	12.0
253.19571	11.9
265.19498	7.0
267.20837	9.6
269.18851	3.9
277.19775	3.2
279.21078	6.7
291.20966	4.4
293.22824	5.8
391.33810	5.7
401.32037	42.6
416.62216	3.8
419.33105	94.7
437.34006	16.9
461.34286	23.4
479.28827	4.9
479.35312	96.6
497.36276	65.8
581.38171	17.8
641.40686	25.4
659.41779	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	712.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79756	1.5
53.24577	1.5
55.05521	9.1
57.07074	3.0
60.81641	1.6
64.00627	1.6
67.05223	1.8
67.05516	26.4
69.03413	2.7
69.07069	19.2
71.22276	1.5
75.48346	1.8
79.05499	2.5
81.07058	29.2
83.08616	3.6
85.02911	3.7
91.05479	2.7
93.07051	16.5
95.08606	42.4
97.02845	2.3
97.10171	3.3
105.07040	24.3
107.08600	34.7
109.10158	100.0
117.07003	3.4
119.08572	38.5
121.10143	31.8
123.08092	3.5
123.11720	13.7
127.03873	2.2
127.11139	1.9
131.08553	13.3
133.10127	23.3
135.08028	3.3
135.11662	17.1
137.09610	2.7
137.13278	3.7
143.08566	9.7
145.10129	35.1
147.08028	1.9
147.11687	23.3
149.09599	3.3
149.13248	9.2
151.14815	2.5
157.10092	17.1
159.11665	24.1
161.09619	3.1
161.13252	21.1
163.11104	2.7
163.14806	10.0
169.10100	9.2
171.11711	25.2
173.09592	2.2
173.13255	22.2
175.11099	2.0
175.14798	16.5
177.16389	2.9
183.11697	11.0
185.13222	17.1
187.11194	2.2
187.14806	16.3
189.16386	4.4
195.11685	8.8
197.13277	8.2
199.14796	11.7
201.16354	11.1
207.11639	2.7
209.13292	4.0
211.14813	9.5
213.16415	10.6
215.14458	2.4
215.17892	7.7
222.13858	2.3
223.14815	8.7
225.16386	10.9
227.18010	9.0
235.14761	2.8
237.16348	23.5
239.17865	9.9
241.19504	3.1
251.18089	6.2
253.19527	12.9
255.17300	2.0
263.18051	2.3
265.19547	3.6
267.20990	4.7
269.22827	2.3
279.21030	4.3
289.33875	1.9
293.22519	3.2
319.24451	2.4
333.25366	2.5
333.80127	2.1
337.25186	2.5
345.25745	3.7
361.28748	2.9
391.33484	4.6
401.32056	41.9
419.33069	79.8
437.34299	19.0
461.33807	20.3
473.20328	2.2
479.35208	87.9
492.02097	2.3
497.36380	62.6
542.17615	2.3
581.38281	19.3
599.39740	4.2
641.40350	17.2
647.21539	2.4
659.41693	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	712.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05516	46.7
69.03420	3.8
69.07076	10.1
79.05497	22.0
81.03426	2.7
81.07059	35.5
83.08652	3.0
85.02901	18.1
91.05490	12.3
91.36188	2.3
92.21517	4.4
93.07072	23.0
95.05013	2.3
95.08618	63.6
97.02898	4.8
105.07040	20.7
107.08591	100.0
109.10159	77.4
110.10478	8.8
117.07017	2.9
119.08572	28.1
121.10136	28.7
123.08085	5.7
123.11729	5.2
125.09631	13.6
127.03922	4.1
131.08543	16.2
132.07663	2.3
133.10126	23.0
135.11697	14.8
139.92393	2.6
143.08543	11.7
145.10121	42.7
147.11694	19.3
149.09546	3.8
149.13243	10.2
150.49149	2.2
151.11176	3.1
153.62766	2.2
157.10143	16.5
159.11693	36.3
161.13252	22.7
163.14818	3.6
169.10161	10.2
171.11652	16.8
173.13242	31.3
175.14883	20.8
183.11636	9.8
185.13234	19.6
187.14821	30.5
188.19008	2.4
189.16327	4.1
195.11700	3.5
197.13266	4.6
199.14804	27.0
201.12743	2.5
201.16383	49.5
202.70276	2.8
203.17998	4.4
209.13338	2.9
211.14847	5.6
213.16420	13.4
215.17966	4.0
217.15996	4.5
225.16435	4.2
227.18044	4.8
239.17934	4.6
241.19482	4.4
251.17937	3.5
253.19417	4.5
255.21024	4.2
267.21066	4.8
279.21213	2.5
287.14648	3.0
293.22696	2.8
295.24155	19.3
297.26041	2.8
316.23221	2.7
344.56903	2.7
355.26163	4.2
361.28659	5.6
401.31946	14.3
403.33530	3.7
419.33051	90.2
437.34183	58.3
461.34244	18.2
464.78998	2.7
479.35266	52.7
497.35980	30.9
515.36438	8.6
581.37866	13.7
596.57184	2.8
599.38965	2.9
641.40100	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	713.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30537	0.6
53.83777	0.7
69.07063	0.7
74.61902	0.6
77.90149	0.6
89.62194	0.7
92.21442	0.9
94.06567	1.6
112.07629	1.1
120.37838	0.7
122.06020	6.7
124.07607	0.9
126.09161	1.2
138.05470	6.3
140.07066	15.1
146.06000	1.7
150.09134	1.1
152.07085	6.7
153.07825	1.1
154.08624	3.9
160.78691	0.7
162.09114	0.8
165.07835	0.8
166.04990	7.5
166.08655	4.9
167.05772	1.4
168.06607	0.9
172.03896	1.3
174.05502	8.0
176.07123	3.0
177.05452	1.1
178.08636	0.8
180.10228	1.2
182.08131	100.0
194.08145	8.7
200.09195	11.4
204.06569	11.6
206.08051	5.4
208.09692	2.9
212.09190	5.4
227.08102	8.4
237.10310	1.2
241.09763	1.1
259.10745	7.7
265.09683	8.5
267.07639	3.3
267.11261	4.8
268.08591	0.9
269.09280	1.0
271.10727	0.9
273.12317	1.6
274.37448	0.8
281.09125	5.7
283.10764	3.1
285.08664	7.0
285.12106	1.4
286.09485	10.1
287.10388	1.7
289.11816	0.8
291.55850	0.7
293.09204	18.5
293.12234	1.2
295.10843	12.1
297.12305	4.1
299.10269	10.0
300.11240	1.6
301.11801	5.0
303.13467	1.0
311.10284	39.6
311.13504	1.4
312.11060	3.0
313.11871	7.4
315.13312	3.3
317.11310	6.6
319.12802	4.3
321.08713	16.9
323.10257	4.1
324.11041	8.6
325.11758	1.7
333.14203	1.0
339.09772	60.3
340.10678	1.0
341.11371	9.5
345.14404	1.2
351.15521	3.1
353.11319	14.7
355.12766	1.2
356.13657	9.3
371.12378	69.8
372.13376	1.3
373.13931	1.7
428.16498	1.0
444.15521	1.2
462.16400	2.9
472.14941	1.0
480.17746	25.1
482.19189	9.0
490.16190	2.7
496.20670	7.9
504.18069	1.0
512.20355	38.0
514.21979	7.3
522.18921	5.5
524.20325	1.3
540.19574	0.8
554.21094	1.0
556.22778	4.7
587.53308	1.0
631.24072	23.4
645.25488	2.6
649.25366	8.0
663.26660	29.4
681.27600	16.5
695.29340	5.5
713.29382	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	713.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35889	0.6
67.05518	0.9
69.07086	0.7
70.06590	1.3
77.09315	0.7
81.03398	0.8
85.02911	1.6
89.12156	0.7
94.06580	1.6
95.04959	1.1
97.02851	1.0
111.98606	0.7
112.07550	0.8
116.43924	0.6
122.06018	12.2
127.03877	0.9
140.05971	1.3
140.07071	34.3
145.05037	0.7
146.06042	4.5
152.07051	24.4
155.65157	0.8
164.26469	0.6
166.08633	3.8
172.03903	5.3
173.04788	0.7
174.05495	10.4
182.08130	3.2
190.05058	3.5
191.05650	0.8
193.27885	0.6
194.08128	100.0
204.06552	49.3
206.08118	10.0
208.09634	0.8
212.09171	48.3
255.11458	0.9
259.10727	7.0
267.11267	0.8
273.12378	1.4
283.10953	1.3
285.12326	1.5
287.05612	1.2
287.13943	1.4
301.11874	9.0
303.01508	0.9
303.04993	21.4
311.10205	1.0
313.11838	7.6
315.13327	1.2
319.12827	5.5
331.13086	1.5
333.14301	4.1
337.13971	5.3
345.14474	14.4
351.15253	0.7
352.61847	0.9
353.11356	0.8
357.14459	0.7
371.12332	3.7
377.44101	0.7
465.10147	6.2
470.19540	1.1
480.17181	0.8
512.20221	4.1
522.18567	1.1
542.20953	0.9
554.20245	0.7
556.23267	0.9
645.25568	1.1
649.24573	1.3
663.26453	7.8
673.80505	0.8
677.27887	1.2
681.26752	4.2
695.28705	5.0
713.30487	11.8
726.02350	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	714.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.8
53.94670	2.5
55.01884	5.9
55.05524	26.9
57.03453	5.1
57.07080	3.7
58.48993	2.7
59.06902	3.6
67.05511	80.7
67.53552	2.7
69.03439	34.5
69.04536	3.2
69.07077	25.2
71.04988	7.5
73.02911	3.8
75.54933	2.9
79.05497	63.3
81.03418	71.9
81.07061	99.4
83.04991	19.4
83.08607	17.7
85.02914	39.1
85.06535	3.5
91.05475	29.2
92.21501	6.6
93.07048	81.9
95.04955	20.2
95.08611	74.2
97.02885	39.9
97.06527	6.4
97.10165	13.2
99.04466	45.5
103.03982	26.9
103.04583	3.1
105.07025	43.8
107.04959	7.9
107.08598	56.3
109.02883	56.0
109.06570	4.1
109.10160	47.6
111.04436	19.1
117.07012	31.4
119.08582	38.3
121.06518	5.0
121.10126	57.4
123.08012	4.0
123.11702	15.7
127.03907	82.4
129.07031	13.2
131.08563	34.5
133.06522	4.8
133.10118	45.0
135.08017	5.1
135.11678	39.6
137.09625	7.0
143.08537	17.9
145.04942	7.8
145.10127	38.4
147.08076	6.2
147.11710	31.1
149.09592	4.1
149.13258	25.9
151.07536	3.9
155.08563	7.0
157.06494	5.3
157.10129	19.1
159.08081	5.2
159.11731	33.5
161.09596	6.2
161.13249	16.4
163.14807	11.7
167.08640	4.7
168.09401	3.1
169.10146	13.7
171.08052	3.2
171.11691	16.0
173.09679	6.1
173.13239	18.5
175.14830	5.7
183.11630	8.0
185.13278	19.1
187.14864	6.3
195.11655	4.2
197.13307	4.8
211.14777	3.7
213.12747	4.2
215.14343	3.7
259.20560	5.3
261.22025	23.4
262.68094	3.8
277.21695	8.1
301.21439	5.9
315.23099	6.7
319.22513	6.3
327.23221	6.5
341.24774	15.7
351.23090	20.4
359.25781	3.8
369.24301	73.6
387.25302	100.0
405.26315	52.6
423.27390	26.3
447.27286	5.6
465.28372	4.4
531.28943	4.5
549.30731	40.8
565.70770	3.5
567.31836	50.9
679.43677	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	715.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
70.33108	0.4
74.53211	0.5
78.44432	0.5
102.95007	0.5
166.77719	0.5
178.66214	0.5
251.21275	0.6
433.20587	2.1
435.21960	3.7
445.20193	0.7
448.22632	0.7
449.23444	5.2
460.22995	0.6
461.23572	1.3
463.21091	2.7
472.12103	0.6
477.23181	4.9
479.20728	1.2
489.23260	1.2
491.20535	2.1
493.22501	3.9
494.23248	12.8
495.24097	4.5
505.22327	2.9
506.22925	0.7
507.20651	2.9
509.22125	0.7
521.21906	1.0
522.22577	4.9
523.23450	6.0
534.22522	3.4
535.23718	1.2
537.25189	6.7
539.22595	6.1
549.21472	3.1
563.22821	0.8
565.24384	4.1
566.21692	0.9
567.22662	2.4
579.25659	0.9
581.23956	51.9
582.24725	0.8
596.26440	1.0
597.27209	6.0
625.22906	2.2
641.26440	2.0
683.27069	10.1
715.29724	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
73.34866	0.9
97.84235	1.0
223.12239	1.1
250.05798	1.2
398.15356	2.0
430.17847	1.3
435.22128	1.2
449.23755	2.3
458.01889	1.2
461.23572	2.1
463.21207	1.9
477.23389	4.3
479.21744	1.3
489.22769	1.4
491.21298	1.6
493.22336	2.3
494.22906	8.3
495.24106	4.2
505.22183	9.6
509.21591	1.4
515.21027	1.5
521.21375	1.4
522.22711	4.3
523.23627	6.8
533.21783	1.6
534.23218	2.0
537.24945	7.1
539.22687	4.5
549.21460	2.2
549.34369	1.2
550.67389	1.2
563.22852	1.6
565.24323	5.1
567.22864	2.0
581.23932	43.8
582.25165	1.7
596.25391	1.7
597.27167	10.6
641.26794	1.7
651.25745	1.3
683.14966	1.6
683.27045	60.4
715.29755	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84339	0.3
60.11160	0.3
60.76553	0.4
60.76864	0.4
113.33340	0.4
125.30701	0.4
175.12631	0.4
433.20340	2.7
435.22006	2.0
436.22726	0.4
449.23669	4.9
461.23581	3.0
463.21075	2.2
463.26044	0.8
473.19620	0.5
475.21014	0.7
477.17929	0.5
477.23996	3.2
478.24075	0.8
479.19980	0.5
481.23083	0.5
489.22864	2.3
491.20520	1.5
492.21594	0.7
493.21988	2.8
494.23245	7.6
495.24197	4.2
505.22644	3.2
506.23355	0.5
507.24310	0.6
509.21985	2.6
510.58505	0.5
519.23840	0.9
521.25848	0.8
522.23016	3.5
523.23444	7.3
533.22485	1.7
534.22723	7.5
535.23859	3.0
537.25281	8.0
538.25385	0.9
539.22821	3.6
547.23779	0.7
549.21173	2.9
550.22327	0.7
552.19519	0.8
553.24365	1.6
554.25568	0.5
563.22791	1.7
565.24573	6.7
566.22217	0.6
567.22290	3.3
569.27838	1.5
579.26227	0.9
581.24011	28.2
582.24713	2.8
596.26093	0.8
597.27185	14.1
609.23486	1.8
623.25256	0.5
624.25568	0.7
641.25848	1.6
683.27014	5.2
715.29761	100.0
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
54.08099	0.3
54.18759	0.3
56.20035	0.3
56.37710	0.3
61.13241	0.4
86.44248	0.3
259.07959	0.6
347.09286	3.4
354.93347	0.4
391.24289	2.9
439.45590	0.5
473.62491	0.4
495.25552	0.6
543.21613	0.4
553.22919	0.5
553.29828	32.4
715.35016	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	715.351
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72014	0.5
60.35359	0.6
63.79115	0.5
73.48263	0.6
73.73466	0.6
75.06461	0.6
85.02912	0.6
181.38730	0.7
184.03503	0.7
185.04205	3.3
186.65056	0.7
201.03780	0.8
221.12836	0.7
259.07755	0.7
301.09158	1.4
325.87372	0.7
331.09937	2.8
347.09537	8.9
363.09061	9.3
391.24304	1.0
399.46793	0.9
421.13239	1.3
437.12872	2.9
483.22110	4.3
493.15295	9.1
507.16891	3.1
521.18488	2.5
531.86243	0.7
535.20599	1.0
535.29761	0.8
537.15564	0.7
553.29883	20.7
563.23102	1.3
577.24805	3.6
617.28021	2.5
645.27246	2.8
715.35107	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98393	0.3
65.34593	0.3
77.54212	0.3
122.64697	0.3
249.58060	0.4
553.34741	0.6
655.37781	3.8
715.40277	100.0
746.19904	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	715.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75798	1.2
53.00314	2.7
55.05514	2.4
57.07093	2.0
67.05505	7.2
69.03433	40.7
69.07065	5.5
71.04993	24.0
76.05107	1.7
79.05508	1.8
81.07042	14.8
83.04980	2.4
83.08615	2.5
85.06543	8.0
91.05469	2.2
93.07045	2.6
95.08637	13.3
95.24043	1.7
97.02892	100.0
97.10166	7.7
99.08101	1.6
105.07034	6.1
107.08591	29.2
109.10152	22.0
114.06644	3.0
115.03907	3.2
116.08032	1.5
119.08549	6.6
121.10131	9.2
121.35862	1.3
123.11697	30.4
125.09631	32.6
127.11179	5.8
131.08575	2.8
133.10138	3.1
135.11656	5.8
141.12743	28.5
143.08566	2.1
143.10677	45.1
145.10095	5.2
147.11676	10.2
147.51724	1.6
149.13300	3.2
157.04977	1.8
157.10106	5.3
159.11682	9.6
161.13225	7.5
163.14882	1.5
167.08586	1.5
169.10121	2.8
171.11693	8.6
173.13292	6.8
175.14835	2.8
181.10120	1.5
183.11719	3.4
185.13252	11.5
187.14787	3.2
197.13283	5.6
201.04051	3.0
209.13289	2.6
211.14886	2.0
215.18053	1.7
225.16411	2.9
231.45610	1.3
233.19478	1.6
237.16312	2.8
239.17915	2.1
251.17863	2.8
253.19284	1.9
261.05902	2.3
277.19754	1.7
279.21140	7.3
291.20834	1.6
297.22083	2.3
320.25815	1.5
333.25153	1.5
401.31543	2.3
419.33102	24.3
437.34174	37.1
455.35278	16.5
522.26917	1.6
527.98090	1.8
553.29395	5.5
679.37628	2.5
697.39105	11.5
715.41388	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	715.4024
Annotation	Avermectin B1b monosaccharide
Peak:m/z	Relative Intensity
66.42627	0.4
73.12802	0.4
83.01140	0.4
86.92552	0.4
90.53668	0.3
101.91016	0.4
125.17416	0.4
127.03895	0.5
140.23669	0.4
159.00388	0.4
324.46942	0.5
353.54208	0.4
637.36511	0.9
655.38086	4.4
715.40320	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97625	1.2
53.03969	1.9
55.05501	3.1
55.12559	1.2
57.07072	2.0
67.05496	3.3
69.03435	26.0
69.07060	3.0
71.04993	19.0
72.67523	1.4
73.02907	2.4
73.06547	2.3
74.48104	1.2
74.58541	1.4
79.05475	1.7
81.07065	7.4
82.87982	1.3
83.08620	1.7
83.88628	1.3
85.02915	47.3
85.06550	8.7
85.57201	1.6
93.07030	2.6
95.08601	8.5
97.02897	100.0
97.10207	10.7
105.07055	3.7
107.08601	26.5
109.10177	17.1
113.43408	1.4
114.06667	1.6
115.03925	50.9
117.33420	1.7
119.08557	2.8
121.10177	5.9
123.11708	10.3
125.09632	33.5
127.11171	3.5
133.10173	5.5
135.11668	1.8
141.12753	9.1
142.32059	1.5
143.08536	2.2
143.10680	55.0
145.10135	5.8
147.11719	6.7
147.88223	1.5
149.13260	2.0
157.04967	51.1
157.10120	3.2
159.11687	3.1
161.13219	3.4
171.02899	1.7
171.11638	2.7
173.13297	6.4
175.14879	2.3
183.11668	2.7
185.13237	6.5
187.14861	2.0
199.14796	1.7
201.04088	3.0
209.13162	2.7
210.10719	1.7
225.16371	3.1
227.17923	1.8
231.17351	2.0
251.17908	3.4
253.19574	1.7
261.06042	37.9
305.63605	1.6
419.32996	13.9
437.34106	26.4
455.34689	2.5
542.53204	1.9
553.30200	3.0
697.39001	6.3
715.41248	17.6
733.31750	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	717.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03764	1.6
65.49290	1.7
70.00512	1.6
84.11557	1.5
84.58263	1.8
90.95375	1.7
112.22913	2.2
124.23506	2.0
135.27682	1.8
140.89621	1.7
228.17963	2.1
237.13777	2.2
370.15717	2.6
372.17084	2.3
472.34625	2.2
479.24506	6.2
493.22092	3.1
501.19159	2.4
506.22690	2.2
507.24084	20.3
515.20886	3.8
516.21625	4.4
520.24957	3.4
521.25220	10.8
533.21692	3.3
548.23767	7.6
552.27881	2.4
565.23981	12.4
575.23389	2.2
579.26007	10.9
580.26776	39.4
582.25616	3.0
593.23419	4.1
621.50012	2.0
625.26257	3.5
635.24341	9.2
667.27606	100.0
685.28748	80.2
717.26617	13.0
717.44159	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	717.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55345	2.7
55.05513	3.4
64.62688	2.6
67.05513	26.5
69.03436	13.3
69.07073	21.6
71.05018	3.0
75.28650	2.9
79.05481	4.0
81.03423	13.5
81.07063	26.7
83.05006	4.7
84.08175	3.3
85.02905	28.1
86.09720	4.2
87.00829	7.3
91.05471	4.4
93.07062	22.2
95.08585	33.7
97.02885	6.0
97.10176	4.0
99.08103	5.9
103.38918	2.9
105.01851	3.6
105.07032	19.3
107.08583	32.3
109.02880	13.4
109.06501	3.4
109.10152	86.7
119.08580	31.7
121.06520	5.0
121.10141	16.5
123.11662	4.7
127.03896	25.7
131.08540	12.6
133.10150	16.5
135.11716	5.5
137.09634	3.9
143.08543	7.3
145.10091	23.5
147.11673	13.1
149.13223	3.4
155.08575	3.8
157.10106	12.2
159.11667	6.9
169.10063	12.4
171.11655	15.6
173.09555	4.5
173.13271	15.8
175.11237	3.2
175.14835	5.9
183.11644	15.4
185.09595	5.1
185.13290	17.1
187.11115	5.9
187.14848	14.8
193.10175	4.0
197.09706	3.6
197.13319	5.8
199.14830	4.5
209.13261	7.2
211.11067	3.9
211.14810	4.8
213.12717	3.7
213.16263	4.2
221.13272	3.3
223.14847	10.8
225.16443	4.9
237.16347	6.9
239.14365	3.7
239.17958	3.9
251.18082	5.8
265.19617	4.2
281.18985	7.1
309.22174	6.6
322.04370	7.1
323.05228	6.1
395.25726	5.2
413.26953	4.2
415.29947	14.1
433.31091	52.6
451.32059	100.0
469.33264	28.4
559.63538	3.2
681.36053	6.1
699.37262	42.2
717.16046	78.6
717.37756	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	717.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00317	1.7
53.03956	1.7
55.01857	1.8
55.05515	7.5
57.07087	2.8
61.02182	1.2
62.15386	1.2
67.05513	22.5
69.03429	12.6
69.07073	13.5
71.04984	2.6
73.02915	1.5
78.87093	1.2
79.05498	6.8
81.03423	10.0
81.07066	26.2
83.04983	5.4
85.02920	23.2
87.00830	11.4
91.05477	3.6
92.21353	2.0
93.07040	16.8
95.05009	2.0
95.08607	34.1
97.02905	6.2
97.06484	2.5
97.10164	2.3
99.04443	8.7
99.08076	2.5
105.01868	7.5
105.07043	14.2
107.08614	22.2
109.02889	12.9
109.06522	6.5
109.09438	3.0
109.10162	73.4
110.66827	1.3
111.08064	1.8
117.01830	1.5
117.07007	2.2
119.08582	25.2
121.06495	3.2
121.10155	18.0
123.08038	3.6
123.11699	8.5
127.03942	16.8
127.11186	2.2
129.06972	1.9
131.08568	11.4
133.10146	16.7
135.08061	3.0
135.11713	10.1
137.09612	2.4
143.08553	9.5
145.02785	1.6
145.04951	2.1
145.10101	16.3
147.08040	2.8
147.11710	14.1
149.13243	3.0
155.08566	5.7
157.10150	15.3
159.02878	2.8
159.08051	2.9
159.11685	12.6
161.09694	1.4
161.13220	7.4
169.10146	9.2
171.11661	17.0
173.09641	3.1
173.13272	11.5
175.11133	2.0
175.14854	6.5
177.05472	1.8
181.10110	6.0
183.11632	10.3
185.09604	2.6
185.13231	12.3
187.11208	5.8
187.14786	12.4
189.16330	1.8
193.09991	2.0
195.11702	8.1
197.13309	7.7
199.11177	5.5
199.14854	5.7
201.12741	1.8
201.16238	1.9
203.14285	1.6
207.11740	2.7
209.13240	7.1
211.11150	5.8
211.14848	2.0
213.12834	2.5
213.16423	1.9
219.11711	1.8
221.13281	7.4
223.14824	6.7
225.12770	3.1
225.16254	2.9
227.14365	3.1
227.17928	1.7
235.14819	3.3
237.12773	2.0
237.16345	2.7
239.14418	2.8
239.17975	6.9
241.15936	1.7
241.19496	2.2
247.14720	3.4
249.16267	2.5
251.14217	1.7
251.17921	3.3
253.15915	3.1
253.19469	2.1
263.18002	7.1
265.19604	2.9
267.17587	2.7
275.18039	2.8
277.19437	6.1
281.15936	1.9
281.18878	10.0
283.20575	1.7
287.17673	1.7
289.19550	2.5
293.19040	2.9
295.20782	2.4
303.21072	5.8
305.22482	1.9
309.22183	2.0
312.64478	1.7
321.22171	1.7
333.89316	1.5
351.23062	2.3
365.24689	2.0
369.24323	2.7
377.24487	1.7
388.20398	1.7
395.25769	6.3
403.29907	5.4
405.31342	2.1
413.26718	2.7
415.30176	11.1
421.31015	5.8
433.31000	47.0
451.32071	100.0
469.33099	27.0
617.29303	3.1
681.35663	9.8
699.37384	46.3
717.38556	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	717.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71214	0.9
52.29686	0.9
52.46502	1.0
55.05518	2.3
57.07485	1.0
61.53137	1.0
63.48065	0.9
65.39728	1.0
67.05508	12.9
67.46909	0.9
69.03420	2.1
69.07078	6.7
69.72358	1.0
71.05004	1.4
72.38171	1.0
79.05469	4.0
81.07060	23.4
83.04980	2.3
83.08625	2.5
85.02913	7.7
87.00825	2.3
91.05489	1.7
93.07055	6.5
93.90843	1.1
95.08595	13.0
96.33462	1.0
97.02867	1.2
97.06556	1.7
99.08097	5.9
105.01862	4.5
105.07014	9.2
107.04897	1.2
107.08593	16.8
109.06517	2.8
109.09435	2.3
109.10162	54.7
111.07999	1.4
119.08584	12.0
121.10138	10.9
123.08081	2.6
123.11678	2.3
127.03934	4.4
128.94241	1.1
131.08586	5.0
133.06523	2.3
133.10130	11.0
135.04347	1.4
135.08049	22.3
135.11702	2.1
136.85686	1.0
137.09587	11.6
143.08559	5.8
145.10106	14.4
147.08069	5.5
147.11696	10.0
149.05952	2.7
149.09607	10.4
149.13297	1.7
151.07538	1.5
157.10094	6.4
159.08054	1.8
159.11726	12.1
161.09589	11.7
161.13283	5.3
163.11148	1.3
169.10115	2.0
171.11676	6.0
173.09657	4.9
173.13245	4.9
175.11185	6.8
175.14825	14.8
177.12958	1.7
181.10123	1.7
183.11720	4.4
185.09596	5.6
185.13248	9.3
185.28131	1.1
187.11188	5.8
187.14769	2.4
189.12708	4.4
195.11629	1.6
197.13249	1.7
199.11133	1.5
199.14842	4.6
201.12796	10.3
203.14339	8.1
209.13286	1.5
211.14841	2.5
213.12766	1.5
213.16386	1.8
215.14339	8.5
223.14738	2.2
227.14275	5.1
229.69864	1.3
233.15329	1.2
237.16399	1.7
239.14420	1.3
241.15923	2.3
253.16046	2.1
255.17332	2.7
294.79193	1.2
295.20593	2.1
325.21823	1.4
335.23727	2.4
349.25198	1.4
351.23050	1.8
353.24695	1.8
359.23685	2.1
365.24707	1.5
377.24527	1.4
393.28113	2.4
395.25897	2.5
415.29758	10.8
433.31012	57.6
451.32043	100.0
681.36603	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	717.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64754	0.3
56.82088	0.3
72.17011	0.3
107.08595	0.4
109.10161	0.5
114.80277	0.3
119.08581	0.5
145.35199	0.4
201.03796	0.5
266.69824	0.4
376.85892	0.4
616.46436	0.4
639.39087	3.4
657.39868	13.7
657.50452	0.5
717.41858	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	717.4408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.9
55.05519	7.4
57.03437	8.1
57.07087	49.7
64.23058	3.1
67.05504	19.7
69.07062	19.5
71.07803	3.2
71.08300	4.0
71.08631	42.8
71.87004	3.2
79.05492	6.6
81.07067	82.4
83.08620	20.2
85.10175	19.6
89.06041	7.7
91.05499	14.9
93.07069	5.8
95.08611	47.1
97.06561	4.8
97.10177	7.8
99.08114	3.7
102.82699	3.5
104.96996	3.1
105.07053	26.8
107.08577	14.9
108.16970	3.4
108.43655	4.2
109.10139	7.2
113.31705	3.3
119.08583	25.3
121.10116	27.2
123.11733	43.4
133.10184	4.1
137.13203	4.6
147.11679	100.0
149.13338	4.3
165.12744	33.9
239.23616	4.6
267.15921	68.5
285.16946	75.3
313.27347	85.0
523.39966	99.6
717.31073	5.0
717.54620	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	718.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11320	0.7
56.48604	0.6
69.03419	1.4
70.06582	1.3
87.28695	0.7
97.02895	100.0
103.32327	0.7
115.03916	1.8
116.07126	0.9
121.02869	42.9
126.06481	0.9
127.03946	1.0
129.10268	0.9
131.05002	1.2
139.03889	3.2
154.35475	0.8
163.07471	1.2
177.05423	1.8
193.04965	10.2
217.04930	14.5
223.05917	6.3
231.80840	0.8
235.06001	4.8
241.07051	3.7
253.07048	1.3
259.08105	3.3
385.11496	1.3
415.12265	7.2
511.14862	0.8
547.16302	4.8
718.37860	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	718.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58096	0.8
53.03956	0.9
55.01880	1.9
58.19916	0.8
65.03938	1.0
70.06590	1.5
72.08177	1.2
75.04504	1.5
78.48897	1.0
85.02911	1.7
91.05497	2.3
93.03399	6.0
93.07039	2.4
95.04972	2.3
97.16190	1.0
99.06703	1.0
103.05470	6.5
105.07005	1.0
106.04187	9.8
107.04955	6.3
107.05608	1.0
117.07020	1.5
121.06491	11.7
122.03661	1.2
123.04466	2.0
125.05968	5.7
127.03906	1.1
131.04927	30.6
133.06482	2.3
134.03577	1.6
135.04425	2.3
137.05974	48.6
143.04860	1.3
145.06500	2.5
147.04465	1.3
148.05188	5.0
149.05986	28.6
151.03908	67.7
151.04961	2.5
151.07446	1.5
153.05453	1.4
153.09067	8.0
158.63373	0.9
159.07962	1.2
161.05963	2.2
163.03873	1.9
163.07536	20.2
165.05493	4.2
167.07010	12.3
171.04355	1.2
173.05977	2.0
175.07520	4.7
176.04716	2.2
177.05458	17.3
179.06998	1.3
181.04968	28.5
181.08632	9.4
187.07593	1.4
189.05478	1.8
191.07025	100.0
192.07916	1.6
195.06554	1.5
203.07069	4.4
205.08569	1.3
209.08084	71.0
223.04265	13.5
235.09746	1.5
237.09164	1.5
259.09647	1.6
263.09244	12.2
277.08530	1.9
312.08862	1.9
327.12164	1.9
329.13959	1.5
355.11624	4.0
357.13080	1.3
359.14661	1.3
369.13538	2.1
387.14343	45.8
417.15302	2.1
432.12854	1.1
508.57861	1.2
579.22186	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	718.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58096	0.8
53.03956	0.9
55.01880	1.9
58.19916	0.8
65.03938	1.0
70.06590	1.5
72.08177	1.2
75.04504	1.5
78.48897	1.0
85.02911	1.7
91.05497	2.3
93.03399	6.0
93.07039	2.4
95.04972	2.3
97.16190	1.0
99.06703	1.0
103.05470	6.5
105.07005	1.0
106.04187	9.8
107.04955	6.3
107.05608	1.0
117.07020	1.5
121.06491	11.7
122.03661	1.2
123.04466	2.0
125.05968	5.7
127.03906	1.1
131.04927	30.6
133.06482	2.3
134.03577	1.6
135.04425	2.3
137.05974	48.6
143.04860	1.3
145.06500	2.5
147.04465	1.3
148.05188	5.0
149.05986	28.6
151.03908	67.7
151.04961	2.5
151.07446	1.5
153.05453	1.4
153.09067	8.0
158.63373	0.9
159.07962	1.2
161.05963	2.2
163.03873	1.9
163.07536	20.2
165.05493	4.2
167.07010	12.3
171.04355	1.2
173.05977	2.0
175.07520	4.7
176.04716	2.2
177.05458	17.3
179.06998	1.3
181.04968	28.5
181.08632	9.4
187.07593	1.4
189.05478	1.8
191.07025	100.0
192.07916	1.6
195.06554	1.5
203.07069	4.4
205.08569	1.3
209.08084	71.0
223.04265	13.5
235.09746	1.5
237.09164	1.5
259.09647	1.6
263.09244	12.2
277.08530	1.9
312.08862	1.9
327.12164	1.9
329.13959	1.5
355.11624	4.0
357.13080	1.3
359.14661	1.3
369.13538	2.1
387.14343	45.8
417.15302	2.1
432.12854	1.1
508.57861	1.2
579.22186	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	719.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
60.80280	2.2
68.98275	2.0
69.19350	1.9
70.06596	4.4
82.34363	2.2
86.09737	2.3
97.02895	25.0
123.05329	2.3
129.10255	2.4
132.04431	3.8
137.02316	5.1
140.07059	3.6
160.26868	2.4
168.08813	2.9
177.05394	2.4
192.06584	4.3
204.06541	11.9
230.09326	3.9
259.11890	98.3
261.54883	2.6
277.12973	29.1
284.11292	8.5
302.12448	36.0
345.14441	4.9
353.37796	2.7
373.15054	11.4
391.16064	18.1
398.14691	3.8
433.18066	3.3
523.20294	4.1
711.27393	2.6
719.12408	3.3
719.25104	100.0
719.35706	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	719.399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	3.9
57.07090	1.2
61.99257	0.8
67.05511	11.7
69.03428	1.4
69.07062	8.6
79.05498	4.4
81.03402	1.0
81.07060	23.2
83.04958	1.6
83.08627	2.8
85.02894	3.2
85.06536	1.3
86.09698	0.8
87.00832	1.3
87.98485	0.8
88.31664	0.8
91.05492	1.8
93.07044	13.7
95.04971	1.7
95.08610	20.5
97.02876	3.5
97.06541	1.1
97.10130	1.4
99.04428	1.0
99.08086	4.8
105.07027	9.1
107.08604	15.7
109.02872	1.9
109.06500	3.0
109.10154	36.8
110.98310	0.8
111.08076	3.2
117.07020	1.5
119.08574	16.2
121.06533	0.8
121.10168	11.9
123.08064	1.7
123.11700	5.3
125.09579	1.1
127.03902	4.2
131.08592	3.9
133.06529	1.2
133.10121	14.5
135.08055	3.4
135.11691	5.8
137.09624	1.1
143.08580	3.4
145.10141	9.4
147.08118	1.6
147.11668	11.9
149.09630	3.3
149.13248	8.3
155.08604	1.8
157.10124	6.4
159.07976	1.0
159.11687	9.9
161.09653	3.4
161.13234	4.0
163.11163	1.6
169.10112	4.1
171.11691	9.7
173.09602	3.2
173.13255	6.4
175.11169	3.7
175.14818	15.0
177.12701	1.1
179.10657	1.0
181.10031	1.7
183.11638	5.7
185.09583	1.7
185.13235	6.1
187.11209	4.3
187.14813	8.9
189.12721	1.7
189.16347	1.1
195.11694	1.9
197.13248	6.3
199.11212	1.1
199.14833	1.7
201.12694	1.2
201.16429	0.8
203.14357	0.9
203.17941	1.0
207.11716	1.1
209.13237	1.9
211.11212	1.2
211.14810	3.8
213.12712	1.9
213.16263	1.2
215.14281	4.2
215.17816	0.8
223.14835	4.4
225.12737	1.0
225.16403	5.5
227.14320	1.6
227.17856	2.9
229.15854	1.3
233.15279	2.6
235.14816	1.0
237.16373	3.9
239.17990	1.6
241.15869	3.5
241.19516	1.5
243.17415	3.2
249.16376	1.0
251.17935	1.8
253.15730	1.0
253.19681	1.5
257.18896	1.7
259.16888	1.8
263.18045	1.3
265.19473	1.4
267.17404	4.4
269.18991	4.8
277.19562	1.5
279.20944	1.1
281.18988	1.3
285.18555	1.5
287.20166	1.1
291.20966	1.0
305.22528	1.2
309.22092	3.3
327.23132	4.6
331.23730	1.0
335.23541	1.8
353.24680	1.0
355.26263	11.4
367.26434	0.9
379.26248	1.1
417.31506	7.2
435.32556	49.1
436.33176	1.2
453.33633	100.0
471.34470	1.3
476.33017	0.9
675.36023	0.9
719.39203	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	719.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.1
55.05517	4.3
58.39262	2.6
60.53380	2.2
63.14678	2.3
67.05509	29.4
69.03426	19.9
69.07079	20.4
71.04985	11.3
79.05508	5.7
81.03419	18.5
81.07064	45.6
83.08607	4.5
85.02905	34.3
87.00819	11.0
91.05493	4.0
92.20985	4.5
93.07031	16.8
95.04975	4.1
95.08612	47.2
95.67876	2.3
97.02899	6.6
97.10153	4.0
99.04469	10.1
99.08085	5.2
105.01896	5.1
105.07038	16.7
107.08607	29.8
109.02873	14.4
109.06519	2.6
109.10154	99.0
119.08580	27.0
121.10127	17.1
123.08081	3.2
123.11698	15.8
127.03905	25.4
127.11214	17.3
131.08543	11.2
133.10121	25.5
135.11702	17.5
143.08496	3.9
145.04929	2.9
145.10133	21.2
147.08080	3.7
147.11703	17.0
149.13284	6.7
155.08601	3.5
157.10168	12.5
159.02888	4.7
159.11662	13.5
161.09714	3.7
161.13261	11.0
163.14810	4.4
169.10126	13.4
171.11679	15.9
173.09586	5.3
173.13261	20.7
175.11133	4.3
175.14810	16.8
181.10089	2.7
183.11632	13.9
185.13255	14.9
187.11171	4.2
187.14792	11.8
193.10112	4.1
195.11671	11.9
197.13350	10.2
199.11156	3.9
199.14839	4.5
201.16505	3.7
209.13148	5.0
211.14835	6.2
213.16333	5.5
221.13242	2.9
223.14693	4.5
227.17876	3.3
229.15851	3.5
231.05238	3.7
231.17567	3.4
235.14851	4.3
237.16475	3.8
239.17986	10.9
249.16479	3.7
251.17802	10.7
253.15694	3.6
253.19485	4.3
255.17360	3.0
265.19492	5.1
269.19012	3.6
277.19495	4.0
281.22809	3.5
291.21173	4.1
293.22659	3.7
295.20615	5.0
297.22174	3.6
305.22836	3.4
309.22052	4.0
323.23587	4.9
335.23825	4.3
349.25409	3.6
353.24606	4.5
379.26041	4.2
389.31772	6.0
395.30344	3.0
397.27197	3.3
405.31531	17.9
417.31372	21.4
423.32547	10.6
435.32623	69.8
453.33630	100.0
471.35300	8.8
671.37421	5.4
683.37640	5.5
689.38318	3.8
701.38379	24.8
719.39996	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	719.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.05519	1.3
59.05005	1.5
67.05495	3.6
69.03427	5.0
69.07069	4.0
71.04987	3.7
79.05477	1.4
81.03436	1.2
81.07054	5.3
83.08614	1.5
85.02904	4.7
85.06521	1.1
87.00826	1.3
91.05470	2.9
92.21447	0.9
93.07037	4.7
95.04951	1.0
95.08599	10.9
95.45226	0.8
97.02888	2.8
97.06525	6.3
97.10159	5.0
99.08119	1.0
105.01854	1.0
105.07005	6.1
106.46600	0.7
107.08588	9.2
107.42128	0.6
109.02851	1.0
109.06509	1.5
109.10153	12.7
115.07555	1.1
119.08571	63.5
121.10133	62.3
123.07994	1.7
123.11696	4.9
125.09617	6.2
127.03912	5.5
127.11168	9.3
131.08551	1.1
132.41446	0.8
133.06458	0.9
133.07588	0.8
133.10147	9.2
135.08064	0.9
135.11694	6.2
137.13254	1.2
143.08559	3.2
143.10689	6.3
145.10129	14.5
147.11652	7.7
149.09642	0.9
149.13232	4.4
157.10097	10.3
159.02806	1.0
159.11688	14.0
161.09602	3.2
161.13257	6.6
163.11145	5.0
164.88950	0.7
169.10126	4.1
171.11681	14.7
173.13246	11.4
175.14853	6.1
177.12801	1.0
183.11694	7.6
185.13254	10.8
187.11163	1.3
187.14801	8.6
189.12682	1.0
189.16399	3.6
195.11685	1.6
197.13240	9.2
199.14738	6.9
201.12556	1.0
201.16385	5.7
203.14261	3.9
209.13255	1.6
211.14821	5.5
213.16409	4.6
215.14214	5.0
215.17824	1.6
217.15863	1.6
221.13249	0.9
223.14786	2.7
225.16350	4.1
227.17928	3.2
229.15970	1.2
231.17407	1.7
237.16481	1.5
239.17932	1.2
243.17450	1.1
249.16486	1.1
251.17845	1.7
253.19484	3.9
263.17957	1.0
265.19485	1.1
283.20358	1.0
289.21664	3.2
307.24341	1.0
311.23605	1.1
316.53339	0.9
329.24774	0.8
391.29761	1.1
397.27231	3.0
409.31058	4.4
411.28632	1.0
417.31610	7.4
425.30356	4.4
435.32565	19.0
453.33615	93.3
457.51697	0.8
471.34683	100.0
701.39081	5.6
719.39764	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	719.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.8
67.05523	15.7
68.29828	1.6
69.03420	2.2
69.07060	8.8
79.05492	2.7
81.07062	24.8
83.05001	1.8
83.08612	2.4
93.07053	16.4
95.08607	21.8
97.06606	2.1
99.08092	4.3
105.07021	7.2
107.08595	19.2
109.10161	48.5
111.08086	2.3
117.07076	2.3
117.70474	2.2
119.07874	1.7
119.08585	18.8
121.06471	1.6
121.10148	12.3
123.08063	3.2
123.11752	2.2
131.08574	3.8
133.10141	9.9
135.11711	7.4
143.08566	3.1
145.10121	10.1
147.07996	2.0
147.11710	10.3
149.13260	11.5
157.10117	7.8
159.11678	10.8
161.09631	2.8
161.81325	1.8
164.59822	1.8
169.10159	4.0
171.11700	4.3
173.09528	1.9
173.13248	4.0
175.14798	11.0
183.11676	3.0
185.09615	2.0
185.13284	2.3
187.14932	1.9
195.11736	3.3
197.13255	3.6
199.14859	2.0
201.12616	2.2
211.14862	3.1
213.12627	2.3
225.16406	2.6
237.16235	2.1
239.14450	2.0
239.17860	2.3
241.15945	1.8
241.19745	1.8
267.17328	2.7
269.18811	2.8
291.20819	2.1
309.22165	2.9
355.26312	12.8
417.31531	3.1
435.32599	53.9
452.54303	2.2
453.33621	100.0
644.21844	2.1
659.39453	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	719.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	2.8
55.05519	3.0
63.27575	2.6
67.05515	22.8
67.05811	2.9
69.03426	22.1
69.07072	22.4
71.04984	14.2
81.03423	17.1
81.07058	33.2
83.04958	4.1
85.02901	36.7
87.00823	8.1
91.05516	5.6
93.07041	21.9
95.08620	38.1
97.02888	13.2
97.10163	4.8
99.04451	3.8
99.08105	4.3
105.01852	7.4
105.07043	19.7
107.08583	20.7
109.02859	19.4
109.06553	5.8
109.10146	85.7
119.08578	22.8
121.10125	30.5
123.08026	3.6
123.11697	20.2
127.03902	30.6
127.11178	21.4
131.08553	14.3
133.10115	17.6
135.11678	19.0
143.08508	11.7
145.10149	26.2
147.11681	15.6
149.13274	6.0
155.08562	4.4
157.10127	14.6
159.02916	5.1
159.11684	14.4
161.13237	13.3
169.10120	14.3
171.11655	13.3
173.09644	3.8
173.13231	15.3
175.14798	7.8
183.11641	4.9
185.09740	3.4
185.13187	12.6
187.14801	13.4
189.16287	5.4
195.11705	5.5
197.13275	13.7
199.14749	5.0
201.12686	3.3
201.16296	5.0
207.11627	3.3
209.13284	5.5
211.14864	7.0
221.13251	5.1
223.14842	7.6
225.16418	13.8
227.17975	4.6
237.16437	5.4
239.17917	6.4
240.21056	3.6
241.19560	4.8
243.17534	3.5
251.17911	5.7
255.17253	4.0
263.17819	3.8
265.19437	4.1
269.18912	5.0
277.19501	5.9
289.46765	4.0
303.21011	3.6
321.03653	3.4
323.23718	4.0
331.24249	5.6
360.76910	3.7
366.43051	3.7
397.27597	4.8
399.30240	4.2
405.31628	29.2
417.31329	21.5
423.32449	7.3
435.32620	81.7
453.33636	100.0
471.28476	3.9
471.34683	19.9
590.84387	4.3
671.37469	6.3
683.37787	13.6
701.39294	33.9
707.92590	3.5
719.39905	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	719.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22507	0.9
53.00319	1.0
55.05517	2.0
57.07076	1.3
63.30543	1.1
67.05504	4.4
69.03436	4.4
69.07069	5.0
70.06589	1.2
71.04987	11.6
73.80103	0.9
79.05494	1.2
81.03413	2.5
81.07047	8.6
81.76603	1.0
83.08631	2.5
83.62685	1.1
85.02907	7.5
87.00833	1.5
88.83344	1.0
91.05463	1.3
93.07043	4.7
94.25675	1.1
95.08600	15.4
97.02941	4.1
97.10172	1.3
99.08115	5.0
105.07062	7.8
107.08601	17.6
109.02889	5.3
109.10152	24.3
119.08577	100.0
121.10143	31.4
123.08063	1.3
123.11698	11.5
125.09654	3.6
127.03928	8.1
127.11179	30.4
131.08571	5.7
133.10117	11.4
135.11711	10.3
137.13290	1.9
143.08582	2.2
145.10135	19.8
147.11665	12.7
149.13235	2.8
155.08504	1.7
157.10115	12.9
159.02887	1.3
159.11679	19.8
161.09628	1.5
161.13266	7.6
163.14758	1.9
169.10130	5.3
171.11685	18.9
173.13239	13.1
175.14827	4.5
176.16060	1.2
183.11678	11.9
185.13242	12.6
187.11227	2.2
187.14796	8.4
189.12790	2.0
195.11647	1.9
197.13277	13.4
199.14790	10.5
201.12750	5.1
201.16370	6.3
203.14299	1.6
203.18100	1.7
207.11722	1.7
209.13290	5.6
211.14731	8.1
213.12813	2.1
213.16325	4.6
215.14250	6.1
215.17850	1.9
217.15794	1.5
221.13199	2.5
223.14856	5.4
223.84200	1.1
225.16406	7.9
227.14406	2.4
227.17946	2.1
229.15901	1.7
235.14813	2.7
237.16393	2.2
239.17886	2.5
243.17468	1.9
249.16354	4.6
251.17998	1.5
253.19418	1.9
265.19489	4.8
267.17715	1.3
267.21082	1.2
271.20596	1.4
275.17847	1.2
277.19278	1.2
291.20978	4.5
305.18802	1.3
305.22568	1.9
309.21912	1.3
331.24142	3.7
348.86829	1.3
362.81049	1.2
391.29733	2.4
393.31299	1.4
409.30841	1.4
417.31531	16.0
425.30255	2.3
435.32562	48.0
436.32986	1.2
437.34512	1.3
453.33646	93.1
454.33859	2.3
471.34723	86.5
683.37317	1.5
701.39166	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	720.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	10.0
69.07081	4.8
81.07054	21.4
85.02901	5.5
91.05508	2.8
93.07082	5.0
95.08613	19.2
97.02907	3.5
105.07051	5.4
107.08608	20.3
109.10159	56.3
119.08564	6.6
121.10143	30.7
123.11703	4.1
125.09538	3.1
127.03917	3.3
131.08549	3.3
133.10139	4.9
135.11665	3.4
145.10124	6.5
147.11722	6.8
149.13217	4.0
159.11691	18.5
161.13232	14.0
169.54216	2.8
171.11723	3.5
173.13188	5.4
177.16377	13.0
185.13222	5.2
201.12787	5.1
204.66911	3.0
211.14929	4.6
213.16451	4.0
239.17928	2.9
255.17345	6.1
257.18942	4.1
275.17810	2.7
297.21921	4.5
323.27304	16.0
363.26788	6.8
401.59409	3.2
408.25729	3.7
419.33060	56.5
437.34219	100.0
546.23322	3.1
720.42120	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	721.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06869	0.5
57.07085	6.8
66.09816	0.4
69.03432	0.7
81.03405	0.6
81.07080	0.5
85.02887	0.9
95.31300	0.4
96.62376	0.5
97.02896	36.1
109.02868	1.1
127.03886	1.9
150.09036	0.7
152.95786	0.5
163.78253	0.5
194.08115	1.1
196.09705	3.0
286.04654	0.7
293.46295	0.6
301.07065	100.0
339.09464	0.8
343.08490	0.6
385.10635	0.5
539.02594	0.5
540.51794	0.5
568.22858	0.8
689.27716	0.5
721.25293	0.5
724.21356	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	721.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07478	0.1
55.05513	0.3
65.82957	0.2
67.05511	1.4
67.63771	0.2
69.03410	0.9
69.07081	0.5
79.05496	1.7
81.03416	1.1
81.07056	1.3
82.38181	0.2
83.04962	0.2
85.02895	0.4
85.33913	0.2
91.05490	1.9
93.07054	2.5
95.04978	0.4
95.08588	1.1
97.02864	0.4
105.07042	1.9
107.04977	0.3
107.08599	1.3
108.25394	0.2
109.02869	0.3
109.06502	0.2
117.07005	1.0
119.08578	2.2
119.17957	0.2
121.10134	1.4
129.07001	0.5
131.08562	1.2
133.10127	1.5
135.11726	0.3
136.14294	0.2
143.08614	0.3
144.14931	0.2
145.10114	1.0
147.11691	0.4
155.08467	0.3
157.10165	0.5
159.11702	1.1
161.13248	0.3
169.10034	0.4
173.13181	0.3
185.13266	0.3
187.14880	0.3
197.04056	0.2
259.20456	0.3
286.04721	0.8
301.07062	100.0
303.15353	0.2
385.23688	0.4
403.24844	0.8
421.25565	0.4
575.21466	0.3
634.22699	0.3
689.20013	1.0
721.25153	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	721.414
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09009	2.9
53.00328	3.7
55.05524	6.5
62.58614	3.4
63.27906	3.7
67.05507	21.8
69.03429	22.0
69.07079	22.7
71.05023	5.6
79.05456	6.2
81.07061	35.3
85.02917	18.1
85.06588	3.5
86.34363	4.0
87.00799	5.2
87.72156	3.8
91.05514	4.8
92.50534	3.9
93.07037	18.3
95.08614	46.1
97.02898	24.8
105.07050	23.8
107.08590	45.9
109.02849	5.8
109.06552	4.6
109.10162	78.9
117.07053	6.2
119.08578	47.6
121.10127	43.7
123.11748	6.1
127.03945	8.6
131.08553	7.0
133.10120	32.4
134.93542	4.1
135.08098	4.8
135.11702	20.7
143.08614	17.7
144.07071	4.4
145.10132	26.3
147.11661	34.1
147.45110	4.3
149.13240	9.4
157.10135	15.3
159.11681	28.2
161.13261	17.2
169.10156	6.3
171.11685	23.1
173.13242	24.1
175.14833	8.6
181.10132	3.9
183.11649	9.0
185.13287	19.8
186.28516	4.2
187.14810	16.4
189.16330	8.5
197.13268	9.0
199.14801	26.5
201.16394	15.8
211.14746	5.1
213.16399	9.3
215.17857	7.9
217.15779	13.9
225.16408	5.1
227.17958	6.8
237.16580	4.6
238.16757	4.0
239.17836	8.1
241.19366	4.3
249.16086	5.3
251.18008	7.1
253.19550	16.4
265.19296	4.1
277.19257	4.1
279.21201	5.4
401.31946	9.8
419.33096	63.7
420.33466	7.7
437.28745	6.7
437.34174	100.0
438.34485	7.3
455.35223	75.1
473.35944	4.4
675.58844	4.7
703.40082	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	721.413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	3.5
55.01881	2.4
55.05516	7.8
57.07065	2.3
63.71756	2.0
67.05505	31.9
69.03434	17.1
69.07072	24.4
73.02900	2.1
79.05502	3.6
81.03434	17.0
81.07072	38.5
83.08625	4.9
85.02910	31.6
85.06551	2.7
87.00830	8.8
91.03945	2.6
91.05491	9.0
93.07043	23.5
95.08601	35.2
97.02888	8.7
99.04516	6.0
99.08092	8.4
105.01868	11.5
105.07053	20.9
106.07365	2.5
107.08600	44.0
109.02876	25.9
109.10159	100.0
110.10487	3.7
111.08101	2.1
117.07002	2.8
119.08565	27.7
121.10151	26.3
123.11710	10.4
127.03915	22.9
131.08591	13.9
133.06541	2.1
133.10146	23.1
134.94104	2.0
135.08105	3.6
135.11685	18.7
143.08537	4.9
145.04965	9.1
145.10118	22.6
147.11676	20.3
149.09607	3.0
149.13307	9.3
157.10110	19.0
159.02849	9.4
159.11713	22.5
161.13249	12.4
163.11127	3.1
169.10150	10.8
171.11673	18.9
173.09615	3.8
173.13272	19.6
175.11139	3.4
175.14819	26.4
177.12802	2.3
177.16409	3.4
183.11693	15.3
183.79980	2.6
184.12225	1.9
185.13232	11.5
187.11186	3.2
187.14836	14.2
189.16391	7.6
195.11684	3.1
197.13249	6.9
199.14810	15.7
201.12692	2.8
201.16380	8.9
203.18025	2.9
209.13255	2.9
211.14775	9.8
212.15536	2.3
213.16367	3.8
215.14253	4.5
215.17923	4.4
223.14886	9.7
223.65810	1.9
224.12558	1.9
225.16490	10.3
227.17931	18.5
237.16292	4.6
239.18022	3.6
241.15883	2.1
241.19478	8.2
243.17268	2.4
243.21028	3.8
245.19072	3.1
251.17906	5.0
253.19519	7.8
257.19171	2.3
265.19415	4.3
269.19025	13.1
271.20566	4.9
273.96481	2.0
279.21008	4.9
281.22607	3.3
291.20935	3.3
293.22473	3.5
311.23785	3.4
337.25452	3.2
361.28973	3.6
363.26758	3.1
375.30524	2.7
401.32040	18.0
402.32477	7.7
419.33038	60.5
420.33261	21.5
437.34122	75.9
438.34366	11.4
455.35187	24.3
473.35455	2.7
667.37878	8.8
668.38574	5.0
685.39453	15.5
686.40582	15.6
703.40546	23.8
704.40558	3.1
721.40735	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	721.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23098	2.1
55.05519	10.4
57.03440	3.7
57.07080	3.3
67.05519	27.5
69.03436	18.7
69.07069	26.4
73.07192	2.0
74.06101	2.2
79.05495	5.3
79.72408	2.0
81.03422	11.3
81.07066	37.6
83.08622	4.9
85.02904	20.4
87.00802	3.4
87.19588	2.5
90.01022	2.2
91.05487	9.6
92.21015	2.7
93.07040	25.2
95.08603	60.0
96.08957	2.9
97.02891	14.5
97.51805	2.3
99.04472	9.0
105.01862	2.9
105.07040	27.9
107.08602	44.8
108.08966	3.5
109.02868	5.2
109.06474	2.8
109.10161	87.2
110.10525	3.2
117.06971	2.2
119.08571	45.2
120.08898	2.5
121.10150	43.6
123.08087	3.4
123.11679	13.3
125.09658	4.4
127.03873	16.4
131.08585	13.0
133.10123	36.1
134.10475	3.1
135.08043	4.1
135.11694	19.2
141.06976	2.7
141.30475	2.2
143.08522	13.8
145.04991	4.4
145.10109	35.8
147.11717	24.1
149.09679	2.8
149.13266	13.9
155.08531	2.7
157.10120	23.1
159.02893	3.6
159.11662	31.3
161.09552	3.3
161.13223	24.8
163.14819	4.5
165.12773	3.5
169.10114	9.1
171.11684	25.7
173.13269	27.3
175.11115	2.8
175.14796	20.0
177.12714	2.8
181.10054	4.1
183.11653	18.8
185.13281	21.4
187.14799	20.1
189.16350	5.7
195.11703	4.2
197.13268	14.8
199.14809	22.7
201.16386	14.0
203.17938	4.2
205.15895	3.0
209.13251	8.3
211.14862	18.8
213.16365	15.9
215.17992	10.1
217.15900	14.0
223.14749	4.6
225.16379	11.9
227.17986	10.3
229.15678	2.6
229.19553	3.1
237.16312	13.8
239.17882	8.6
241.19513	10.3
243.17332	3.0
249.16359	5.5
251.18025	5.0
253.19513	10.0
255.17482	3.9
265.19543	4.8
267.21201	5.1
271.20560	4.4
279.20959	3.2
281.22702	2.7
291.21045	3.7
293.22531	4.7
305.22601	2.5
309.22098	3.3
311.23703	3.3
345.26120	2.5
391.33139	2.5
401.32166	18.4
402.32285	14.0
419.33105	71.8
420.33359	29.8
437.34094	100.0
438.34668	28.3
455.35156	76.6
503.26105	2.8
667.38306	3.9
668.38544	3.2
685.39423	5.5
686.39484	13.6
703.39917	11.7
704.40436	11.7
721.41956	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	721.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	2.4
55.05498	2.3
56.04651	2.1
67.05511	18.5
69.03430	11.3
69.07066	18.5
70.04845	2.3
79.05494	4.5
81.03408	11.5
81.07076	29.9
83.08630	4.1
85.02911	28.1
87.00829	12.2
91.05479	4.5
93.07038	23.8
95.08603	56.8
97.02920	5.6
99.04478	10.7
100.31483	2.5
105.01904	4.2
105.07027	25.6
107.08602	46.3
109.02871	13.2
109.10159	95.4
119.08594	43.7
121.10139	30.4
123.11720	14.9
125.09602	5.1
127.03919	17.2
131.08559	10.8
133.10129	34.9
135.08032	3.8
135.11670	19.6
143.08607	5.9
143.59785	2.5
145.02835	4.0
145.04953	2.7
145.10129	33.3
147.11702	36.0
147.87660	2.6
149.13164	9.3
155.08572	3.0
157.10123	18.0
159.02849	3.3
159.11661	27.7
161.13269	22.4
163.14777	4.2
169.10156	14.6
171.11659	20.7
172.27718	2.4
173.13255	21.7
175.14799	16.9
177.05507	6.6
183.11725	10.5
185.13274	15.3
187.14854	16.0
189.16383	6.5
195.11797	3.9
197.13222	6.7
199.14812	23.3
201.16431	14.9
203.18118	3.0
209.13269	6.5
211.14809	13.0
213.16414	20.7
215.17906	3.5
217.15819	3.5
221.13196	2.8
223.14877	4.8
225.16182	4.3
225.74026	3.1
227.17972	10.4
235.14793	4.7
237.16309	4.2
239.17960	11.8
241.19513	6.5
251.17986	6.7
253.19415	11.1
257.18814	3.3
265.19580	6.1
277.19434	3.3
279.21017	5.8
291.20871	4.0
293.22729	4.1
305.22522	3.3
309.22183	5.9
310.22736	2.9
318.15619	3.1
337.25311	5.2
345.25763	3.6
347.23041	14.0
361.28876	5.1
363.22482	55.7
363.26770	4.5
379.30161	3.3
401.32034	23.1
419.27893	5.4
419.33078	100.0
420.33502	17.3
437.34222	90.2
438.34485	14.4
455.35159	51.5
534.34985	36.9
550.34607	36.6
667.37726	4.5
685.39557	6.5
686.39685	6.3
731.06506	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	721.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47357	3.8
50.86062	3.8
52.88912	3.8
53.85988	4.2
55.05511	4.1
64.02377	4.3
67.05508	16.8
69.03436	5.6
69.07076	27.5
76.50763	4.3
79.05506	6.9
81.03420	8.1
81.07069	29.8
83.08642	7.1
85.02904	38.7
87.00840	7.3
93.07047	28.9
95.08617	55.1
97.02905	10.6
99.04514	5.2
105.01860	8.0
105.07053	23.3
106.72473	3.8
107.08572	34.9
109.02869	27.3
109.10167	90.1
119.08562	33.2
121.06514	4.5
121.09286	4.3
121.10143	32.3
123.11718	26.3
127.03905	28.4
131.08575	10.2
133.10129	27.7
133.32787	4.3
135.08000	12.7
135.11716	5.7
137.09561	4.8
145.10115	20.7
147.11694	21.5
149.09671	5.5
149.13257	7.3
157.10127	19.4
159.02893	10.0
159.11694	20.0
161.13283	8.8
169.10213	6.9
171.11691	22.7
173.13248	20.0
183.11649	7.1
185.13240	8.1
187.14844	52.9
189.16292	6.6
197.13315	9.8
199.14775	7.2
203.14420	7.0
209.13158	10.0
209.65276	4.6
213.16302	5.1
217.15895	22.5
223.14851	9.1
225.16351	9.8
233.47379	4.6
237.16377	4.5
239.17821	6.2
241.15950	7.9
241.19508	16.5
243.17398	6.1
251.17839	5.6
251.33257	4.2
269.18954	7.0
366.89536	6.0
393.10782	4.2
401.32071	8.8
419.33057	60.6
437.34113	100.0
455.35205	66.6
510.80206	5.1
685.39331	6.4
712.46918	4.5
738.46454	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	721.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36851	3.2
53.03950	4.2
55.05525	4.0
57.07083	4.0
63.55022	2.6
67.05513	24.5
69.03422	14.2
69.07076	15.6
71.04971	4.7
73.02921	3.3
79.05515	3.3
81.03423	19.9
81.07070	33.5
83.08630	5.3
85.02905	51.9
87.00829	17.0
87.12273	3.3
93.07041	15.9
95.08617	28.2
97.02907	25.2
99.04461	7.7
104.96594	3.5
105.01869	14.9
105.07038	15.1
107.08633	23.6
109.02866	49.8
109.10162	100.0
119.08571	22.3
121.10123	21.9
123.11681	7.6
127.03915	57.8
129.01883	5.1
133.10146	13.7
135.11739	6.8
145.04962	5.9
145.10133	7.8
147.02859	4.0
147.11668	13.6
157.10143	6.5
159.02921	19.9
159.11702	7.4
161.13246	5.9
169.10071	4.6
171.11725	7.8
173.13284	7.1
175.14807	21.1
183.11746	4.3
185.13271	4.7
187.14711	3.8
197.13255	4.1
199.14966	5.1
206.03471	3.8
209.12793	4.2
210.02724	3.4
213.03886	8.0
227.17903	14.7
231.04942	7.4
239.17990	5.5
243.17387	4.1
245.18913	4.9
249.16196	3.8
269.19025	15.5
375.09277	4.0
393.10184	21.0
401.32016	8.2
419.32956	50.2
437.34207	56.5
439.33826	4.2
453.81113	4.1
455.35056	20.2
515.90057	3.8
667.37909	6.0
685.38794	18.6
703.40759	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	722.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
63.18342	1.7
70.82832	1.7
71.02778	1.9
74.58050	2.0
89.63642	1.8
93.07053	1.6
102.01142	1.8
107.08624	1.9
109.10051	1.7
150.86984	1.9
152.80263	1.9
187.39163	1.9
211.49870	1.9
224.68924	1.9
226.26314	1.8
436.33926	2.4
444.23053	3.2
458.24551	6.9
459.21738	7.4
472.22467	9.7
485.23309	16.0
486.24155	3.4
500.33197	2.2
513.22839	3.9
517.25684	9.1
545.25439	92.8
573.24896	20.5
605.27606	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	3.1
58.11225	1.7
62.24225	1.6
67.05507	12.5
69.03427	7.8
69.07069	14.2
71.98039	1.9
81.03401	4.5
81.07060	25.9
83.08636	2.9
85.02905	22.2
87.00838	3.3
91.05477	3.9
93.07040	14.4
95.08597	38.4
97.02885	7.5
97.10146	8.0
99.04456	4.4
105.01889	10.2
105.07023	16.8
105.98478	2.4
107.08600	23.0
109.02888	8.0
109.10151	43.1
119.08582	27.5
121.10135	24.1
123.11700	10.6
127.03916	17.7
131.08560	16.0
133.10121	17.7
135.11690	15.2
137.13245	4.7
143.08566	8.0
145.10101	24.5
147.11716	18.4
149.13268	12.8
155.08572	2.7
157.10129	11.2
159.02942	8.0
159.11702	19.2
161.13264	21.9
163.11197	4.2
163.14813	4.7
165.12706	2.2
169.10118	8.3
171.11644	16.9
173.13229	24.2
175.14822	11.1
177.16385	4.0
183.11682	4.9
185.13269	13.5
187.14851	14.8
189.16350	4.0
195.11717	2.6
197.13358	4.6
199.14816	11.3
201.16418	11.3
203.17972	2.9
205.15785	2.1
209.13181	2.1
211.14839	11.3
213.16367	4.2
215.17993	4.5
223.14804	4.1
225.16370	9.2
227.17900	4.4
229.19475	3.0
231.05019	3.4
237.16415	2.5
239.18004	8.0
241.19543	3.4
243.21109	12.2
251.17877	3.1
253.19527	9.3
265.19409	6.5
267.21063	35.1
280.26288	2.8
281.22638	3.8
293.22681	4.3
295.24161	8.9
298.27252	2.4
305.11517	2.1
305.22473	2.4
311.23721	3.8
313.24960	3.0
320.09912	2.5
347.27292	7.7
363.30612	2.7
365.28381	4.3
380.55496	2.0
403.33539	46.1
421.34671	100.0
439.35559	10.5
651.38397	2.7
669.40021	27.5
687.40875	39.1
722.44183	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	722.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83157	1.8
55.05517	3.3
57.18237	1.5
67.05511	14.9
68.35516	2.2
69.07072	11.1
81.07064	20.3
83.08629	3.0
85.02898	8.3
88.77444	1.8
91.05466	2.8
93.07055	15.9
95.08604	32.7
105.07043	11.8
107.08601	24.4
109.06597	1.8
109.10159	100.0
111.08099	2.0
119.08577	17.0
121.10147	36.7
123.11738	11.4
127.03933	7.4
130.97498	2.1
131.08640	2.7
133.10088	13.9
135.11688	15.9
137.13280	2.3
143.08586	4.4
145.10141	9.6
147.11691	18.2
149.13260	9.8
153.11586	2.0
153.84286	1.9
157.10091	13.2
159.11685	14.5
161.13214	13.9
163.14835	7.6
164.58894	1.8
169.10161	3.2
171.11635	8.9
173.13281	14.6
175.14774	10.1
177.16371	9.6
180.71048	2.0
182.99776	2.0
183.11691	4.6
185.13266	9.5
187.14812	12.1
189.16396	3.9
197.13193	4.2
199.14848	10.0
201.16386	4.2
209.13264	2.2
211.14796	7.4
213.16409	10.5
215.17979	4.2
227.17892	8.0
237.16446	3.0
239.17921	14.4
241.15915	2.2
241.19493	9.3
253.19522	8.2
255.21005	2.8
257.19022	2.4
261.18439	4.3
265.19452	2.2
281.22650	8.0
293.22430	2.6
299.23560	2.9
311.23749	3.1
321.25818	2.5
339.26990	2.1
365.28448	9.2
383.29587	9.0
403.33633	20.5
421.34644	76.5
439.35699	98.2
651.39056	4.6
687.39392	2.1
752.10107	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	722.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71580	2.8
53.03951	3.3
55.05512	4.9
61.23114	2.7
64.65750	2.8
67.05514	23.7
69.03439	13.5
69.07063	21.7
69.08928	2.8
69.29931	2.8
70.38216	2.8
79.05482	5.7
81.03423	4.8
81.07057	29.5
83.08614	4.9
85.02907	32.5
87.00838	13.1
91.05489	6.8
93.07030	21.8
95.08613	55.1
96.89759	3.2
97.02925	6.3
105.01886	7.8
105.07054	34.1
107.08594	47.9
109.02885	18.1
109.10162	100.0
117.07011	3.9
118.23016	3.2
119.08575	48.4
121.10156	41.9
123.11717	21.6
127.03918	28.4
131.08559	18.7
133.10173	30.8
135.11676	25.5
137.13326	3.2
143.08568	4.4
145.04926	6.3
145.10104	30.1
147.11671	22.6
149.13268	18.3
157.10158	17.6
159.02841	6.8
159.11674	18.2
161.13278	33.0
163.14798	8.0
169.10077	3.7
171.11676	17.2
173.13205	24.9
175.14818	27.0
183.11615	4.7
185.13237	17.1
187.14825	13.5
189.16412	5.2
199.14835	17.5
201.16341	13.3
203.14325	6.5
210.84987	3.3
213.16335	5.7
217.15823	18.1
217.19467	6.5
225.16414	5.5
227.18033	5.2
231.05173	4.3
237.16397	6.5
239.17848	4.6
248.55675	3.4
251.17857	6.1
253.19608	7.2
255.17392	4.2
267.21088	4.3
295.24246	4.3
311.23508	5.1
326.90521	3.7
347.27069	4.2
403.33630	41.9
421.34589	95.3
439.35678	20.6
455.72314	3.4
497.14410	3.5
597.21008	3.8
668.95868	3.6
669.39642	7.8
722.27094	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	722.447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.3
53.66909	1.6
55.01881	2.2
55.05519	2.5
57.03448	2.4
57.21173	1.6
61.52948	1.5
67.05521	18.1
69.03432	9.3
69.07076	10.6
71.04990	2.0
72.35403	1.7
73.09612	1.5
75.48035	1.5
79.05500	4.3
81.03422	10.3
81.07059	24.1
83.08633	3.0
85.02910	31.2
87.00834	3.7
91.05491	2.8
91.97475	2.3
92.21488	2.4
93.07045	14.0
95.08613	34.8
97.02884	10.6
97.06521	2.5
99.04437	3.2
105.01876	11.1
105.07025	21.0
107.08601	31.5
109.02855	13.3
109.10157	62.7
119.08562	28.2
121.10149	25.4
123.11729	14.5
127.03917	24.2
131.08592	13.7
133.10123	23.3
135.11705	14.2
137.13248	3.1
143.08551	8.6
145.04959	4.5
145.10132	29.5
147.11650	26.3
149.13246	14.5
155.08583	2.5
157.10118	14.1
159.02853	8.2
159.11652	19.4
161.13257	18.9
163.11200	3.3
163.14772	7.5
169.10146	11.1
171.11653	19.7
173.13255	22.5
175.14825	13.5
177.05499	2.2
177.16391	2.4
181.08595	3.1
183.11693	8.6
185.13217	13.4
187.14818	16.1
189.16353	7.1
195.11798	2.4
197.13295	11.5
199.07513	2.6
199.14824	13.9
201.16397	16.6
203.17970	2.9
211.14801	13.6
213.16374	9.7
215.17899	4.0
223.14838	4.5
225.16383	8.6
227.17938	10.8
231.04893	3.5
237.16333	2.6
239.17953	9.7
241.19569	3.8
243.21114	8.4
245.19035	3.2
249.06055	7.3
249.16522	2.7
251.17976	4.0
253.19510	7.9
255.21263	2.7
257.19128	2.0
265.19537	4.2
267.21054	23.2
269.22449	2.3
279.21225	3.2
281.22629	10.6
291.21088	2.6
293.22617	7.5
295.24203	8.2
301.07086	3.5
305.11615	3.1
311.23685	3.8
312.07449	2.1
321.25711	2.1
336.13547	3.5
347.27124	4.0
353.28296	2.1
365.28455	2.8
367.15384	11.9
403.33636	42.8
421.34668	100.0
439.35806	29.8
613.78027	2.1
651.37769	2.1
668.52954	1.9
669.39929	23.8
687.40887	41.5
722.44269	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	722.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05528	3.4
57.07095	1.6
67.05507	20.4
69.03429	10.9
69.07077	14.9
71.50329	1.9
79.05488	4.5
81.03428	10.2
81.07068	35.2
83.08594	3.7
85.02908	20.8
86.86843	1.7
87.00834	10.0
89.88844	2.0
93.07044	17.7
95.08609	50.6
97.02903	8.1
97.10174	3.1
99.04469	3.9
105.01855	7.3
105.07036	22.5
107.08592	30.5
109.02903	12.6
109.10148	81.8
117.07008	2.8
119.08574	26.4
121.10131	28.2
123.11708	11.1
125.09630	4.0
127.03933	19.5
127.11182	3.4
131.08546	10.7
133.10159	18.3
135.11729	15.8
143.08588	8.3
145.05005	2.3
145.10117	34.9
147.11662	19.4
149.13257	12.9
153.10603	2.2
157.10107	12.4
159.02898	2.4
159.11670	24.8
161.13234	25.4
163.14803	11.8
169.10109	8.2
171.11708	21.6
173.13242	24.1
175.14799	18.4
177.16425	2.2
183.11681	9.9
185.13242	17.1
187.14806	19.8
189.16370	7.9
195.11642	3.9
197.13310	13.7
199.14825	16.4
201.16391	19.3
209.13266	3.0
211.14818	10.0
213.16385	12.8
215.17950	4.8
223.14891	3.6
225.16351	10.2
227.17953	9.5
231.04976	3.6
236.88422	2.0
237.16412	8.6
239.17903	11.9
241.19385	4.4
243.21028	7.9
251.17877	9.6
253.19499	13.3
253.45787	2.2
255.21155	8.2
259.20520	4.6
263.17834	2.3
265.19531	2.6
267.20984	15.2
277.19659	2.5
281.22525	3.5
282.23062	2.4
291.21155	2.8
293.22626	3.3
295.24152	8.0
321.26028	3.3
347.27283	9.7
403.33575	54.8
421.34656	100.0
428.00113	2.0
438.34366	4.7
439.35617	24.8
473.25595	2.3
651.38562	4.3
669.30634	2.4
669.40161	39.4
687.40973	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	722.5046
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06196	1.4
57.07089	22.1
57.24697	1.6
59.05008	2.1
69.07076	2.3
69.58983	1.6
71.08637	33.9
73.06554	2.1
85.10199	24.1
87.04470	21.8
89.06033	91.6
91.05495	6.9
93.07026	2.8
103.59995	1.6
104.38903	1.7
107.08614	2.0
111.79765	1.9
112.80196	1.6
117.09133	2.2
119.08603	6.9
121.06491	24.1
131.07022	2.9
133.08626	32.6
135.08060	8.3
146.31404	2.2
147.08046	10.6
149.09645	9.2
163.11203	2.6
175.09679	4.1
177.11267	12.4
201.50523	2.0
219.12238	2.8
247.20483	22.7
264.42529	1.7
291.23285	14.3
318.05679	2.2
379.27930	2.0
395.84003	2.0
562.73657	2.1
705.47931	48.6
722.50385	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.5325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56947	2.1
51.53551	2.0
53.91656	2.0
55.05516	26.3
57.03454	2.8
57.07079	27.7
67.05511	29.4
69.07067	49.9
71.04990	2.8
71.08631	21.0
79.05502	4.3
81.07063	50.1
83.08621	54.4
85.06548	4.0
85.10187	14.6
86.06076	3.3
91.05474	4.7
93.07041	13.2
95.08605	71.0
97.06525	14.8
97.10159	32.3
99.08092	5.3
100.07619	10.5
105.07034	11.3
107.08602	13.4
109.06572	2.6
109.10155	43.2
109.39063	2.3
111.08092	5.0
111.11720	9.8
113.00017	34.0
113.09632	3.8
114.09179	4.8
119.08575	13.4
121.10157	12.1
123.11706	16.2
125.09674	2.7
128.10721	2.8
128.62379	2.3
133.10146	19.6
135.11702	11.4
137.09612	3.0
137.13269	3.3
147.11688	14.3
149.13313	8.6
151.11186	3.7
151.14789	4.3
161.13237	12.3
163.14796	13.2
163.58032	2.2
165.16293	2.6
169.02589	50.1
174.12524	2.5
175.14825	5.2
179.14362	4.5
181.15927	5.1
184.16953	2.6
198.18500	13.3
203.17940	3.7
214.18051	4.4
245.22678	15.7
250.16827	2.4
263.23712	18.7
280.26340	79.0
281.24646	4.2
291.19635	2.9
298.27390	100.0
299.25790	17.9
313.27332	31.4
341.71030	2.8
407.25476	27.0
631.05457	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	722.5331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	8.7
57.03437	4.5
57.07085	32.1
67.05503	17.7
69.07074	45.5
71.08637	33.0
72.33797	3.4
80.22002	3.8
81.07063	48.4
83.08641	45.3
83.87337	4.0
85.06574	3.8
85.10167	14.6
91.36006	3.6
93.07066	5.2
93.16719	4.0
95.08603	45.8
97.06551	4.8
97.10166	39.1
99.08099	8.1
107.08595	5.0
109.10150	25.9
111.08109	9.6
111.11681	4.5
112.99996	33.7
113.09668	7.7
117.86192	4.0
119.08581	5.8
123.11699	8.7
129.71057	4.2
133.10117	15.5
135.11679	22.5
137.13266	5.2
147.11700	6.3
161.13280	7.0
169.02594	45.0
198.18532	6.4
204.39665	4.2
217.66216	3.8
218.11163	5.5
245.22740	6.3
263.23706	6.8
280.26312	42.4
298.27399	100.0
299.25827	24.0
313.27591	36.1
407.25488	19.6
410.88080	4.8
681.20886	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	722.5327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67077	3.2
55.05513	21.0
57.03426	3.9
57.07085	39.8
60.75063	3.2
63.23225	3.6
65.88488	3.4
67.05521	27.4
69.07069	37.7
70.82780	3.7
71.08643	34.5
81.07069	49.4
83.08629	34.7
83.10342	3.8
85.06561	4.5
85.10178	18.8
88.96997	3.6
95.08610	60.8
97.10175	26.2
99.25520	3.6
105.07044	5.3
107.08603	6.8
109.10175	33.2
111.11729	4.5
113.00018	54.0
119.08588	7.2
119.71304	3.7
121.10141	4.8
123.11743	6.6
124.71420	3.4
125.13251	3.7
133.10127	8.2
137.13243	5.9
141.12839	5.9
147.11688	7.6
151.14813	3.6
155.14293	6.1
156.13934	3.6
161.13292	5.0
167.96179	3.6
169.02585	53.2
175.14915	5.6
207.98431	3.7
221.86725	3.9
245.22655	17.2
263.23624	21.1
279.18671	4.2
280.26337	52.5
298.27438	100.0
299.25793	17.2
313.27426	40.2
407.25607	24.6
509.33591	4.2
568.89685	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	723.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84404	0.4
53.46155	0.4
55.91583	0.5
64.05785	0.6
65.80281	0.5
73.21727	0.4
80.27513	0.5
105.15831	0.5
153.65720	0.5
159.00983	0.5
247.99094	0.7
301.86618	0.5
335.14603	0.6
380.02924	0.6
421.26666	0.7
430.21835	1.9
444.23059	2.3
450.34424	0.5
456.19098	0.7
457.24094	8.6
459.21149	5.6
460.22449	0.7
470.20978	2.0
472.22531	5.4
474.23792	0.8
475.24457	3.2
485.23413	30.9
486.20081	6.9
487.25198	4.2
488.93066	0.6
489.22879	2.7
489.69223	0.5
497.23398	3.1
499.21436	0.7
500.21960	4.9
503.24234	5.3
513.22900	3.5
515.24463	26.0
515.31873	1.1
531.23938	42.5
541.22339	0.9
559.23431	13.0
564.09595	0.7
591.26038	100.0
661.28076	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	723.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58895	0.2
50.84335	0.1
53.03943	0.3
53.88709	0.1
55.05514	0.3
56.46542	0.1
59.99212	0.1
61.55653	0.1
67.05521	1.9
69.03423	1.0
69.07066	0.2
70.92082	0.1
72.00385	0.1
77.32514	0.1
79.05492	1.7
81.03421	1.7
81.07058	1.9
85.02908	0.3
85.05240	0.2
91.05472	0.8
92.20930	0.2
93.07053	1.8
95.04963	0.2
95.08614	1.8
97.02888	1.1
105.07021	0.7
107.08587	1.4
109.02877	0.8
109.10149	0.4
117.07022	0.4
119.08579	0.9
121.10135	1.0
127.03889	0.2
131.08580	0.3
133.10133	0.4
134.55289	0.2
135.11671	0.9
145.10135	0.3
157.10289	0.2
159.11685	0.3
161.13225	0.2
174.67447	0.2
236.54791	0.2
258.05029	0.2
261.22006	0.3
286.04688	1.0
301.07059	100.0
380.68762	0.2
405.26358	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	723.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13845	0.5
56.96562	0.7
67.08600	0.5
71.34071	0.7
75.97903	0.5
95.16248	0.6
97.96835	0.7
111.44955	0.7
129.35716	0.5
134.11430	0.6
140.94215	0.6
143.27124	0.7
211.76138	0.6
217.03871	1.0
223.10150	3.4
238.25145	0.6
241.11086	60.5
259.12161	68.0
260.80823	0.7
264.12738	0.9
267.08975	15.5
285.10077	76.8
303.11145	44.8
303.14676	0.8
308.11880	1.0
326.12741	0.8
495.22641	100.0
549.07782	0.7
665.96844	0.8
685.43616	0.8
723.28784	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	723.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05531	5.1
65.48988	3.7
67.05508	5.8
69.03432	7.8
69.07066	16.6
71.04995	19.8
81.03402	6.7
81.07059	19.8
83.08609	7.5
85.02896	23.1
87.00819	15.9
93.07050	13.9
95.08611	37.5
97.02890	5.4
99.04443	4.8
105.01849	9.4
105.07038	8.6
107.08588	27.7
109.02878	5.3
109.10172	75.6
117.06993	4.5
119.08571	20.1
121.10160	20.6
123.11714	27.9
127.03930	33.0
127.11181	43.2
129.06848	4.3
131.08562	9.7
133.10141	17.4
135.11676	8.6
137.13223	4.3
141.12700	5.8
143.08557	5.0
145.10129	24.9
145.85313	3.6
147.11761	29.5
149.13242	7.7
157.10088	17.5
159.02859	5.7
159.11687	32.2
161.13249	15.5
163.14851	4.4
169.10107	6.1
171.11661	26.6
173.13187	33.6
175.14806	7.6
183.11778	5.0
185.13263	33.4
187.14801	23.6
191.61261	4.0
197.13300	5.0
199.14825	18.9
201.16373	9.4
213.16399	16.9
225.16325	8.5
227.17996	8.7
239.17891	6.0
242.30257	3.7
253.19572	16.3
299.23697	6.7
311.58560	4.0
323.43506	4.0
403.33658	15.0
406.80396	4.8
421.34625	100.0
439.35757	91.2
457.36798	38.6
652.39185	5.3
669.39728	18.1
687.40369	25.5
705.41162	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	724.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90967	0.6
53.09057	0.7
55.01875	1.6
55.05518	4.3
57.03440	1.3
59.02424	0.7
61.02926	3.2
67.05516	9.0
67.15683	0.8
69.03419	1.7
69.07070	10.3
71.05025	0.9
79.05493	5.6
81.03421	4.4
81.07081	7.5
83.05010	1.1
83.08601	6.6
85.02911	5.8
91.03960	3.4
91.05481	4.7
93.07039	7.8
95.04964	1.7
95.08614	4.2
97.02888	8.8
97.06517	1.1
97.10171	9.0
98.92966	0.8
105.07030	4.6
107.04951	1.3
107.08605	6.4
109.02896	1.2
109.06479	1.5
109.10148	4.1
111.08108	1.1
117.06976	1.5
119.08569	6.8
120.53989	0.8
121.06542	1.1
121.10144	3.8
123.08067	2.9
125.09637	11.1
131.08572	5.0
133.10136	4.5
135.08092	1.0
135.11700	0.9
137.09663	1.0
143.08546	1.0
145.10120	4.9
147.08023	3.1
147.11700	4.1
149.09645	1.1
157.10130	1.1
159.11752	0.9
161.09590	1.4
163.06140	0.9
165.09138	1.2
175.11174	3.1
189.11201	3.5
193.12234	5.0
205.12215	1.4
215.12956	0.9
223.13290	17.4
227.12762	1.7
245.18930	1.0
258.82816	0.9
273.18417	9.4
285.16940	12.6
291.19547	95.9
338.54672	0.8
347.22165	1.3
365.23224	100.0
383.24164	1.9
509.27411	0.9
527.28491	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	724.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94144	3.1
55.05508	4.6
59.38764	2.9
61.76624	3.3
66.58341	3.1
67.05515	16.0
69.03416	3.4
69.07069	33.9
71.46834	3.5
74.22884	3.8
79.05481	5.2
81.07059	39.3
83.08624	5.8
85.02903	7.2
87.00864	4.3
91.05467	5.3
93.07043	21.5
95.08610	48.0
97.02900	7.3
105.07022	33.6
107.08594	45.9
109.10151	84.4
119.08573	35.5
121.10137	33.8
122.12585	3.9
123.11710	24.2
127.03894	17.6
131.08582	9.0
133.09137	3.4
133.10103	32.5
135.11681	18.7
137.13274	5.1
143.08560	7.8
145.10138	32.3
147.11682	36.0
149.13239	25.4
159.11729	26.8
161.13228	33.6
163.14738	5.0
170.91338	4.4
171.11601	6.3
173.13298	19.0
175.14764	13.6
179.59912	4.1
187.14867	23.8
189.16321	17.6
191.17905	8.0
199.14789	4.6
201.16362	35.8
203.17947	20.0
213.16409	5.4
215.17920	7.3
217.19484	17.4
217.86479	4.5
239.17946	4.9
295.24319	4.3
302.15994	4.1
323.27200	6.6
327.46646	4.4
353.69748	4.1
405.35101	58.6
423.36133	100.0
441.37253	46.0
645.83508	4.4
671.41052	5.3
677.57635	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	724.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74947	7.0
54.16176	9.4
55.24041	6.8
64.09113	7.4
67.05511	33.6
69.03430	43.1
69.07063	40.2
77.56360	7.1
79.05507	8.1
81.03469	8.0
81.07050	54.0
85.02905	79.8
93.07055	15.0
95.08603	67.1
97.02882	18.6
102.57492	8.4
104.94063	7.8
105.01826	10.7
105.07016	44.0
107.08591	51.0
109.10150	93.9
119.08576	18.1
121.10135	49.5
122.18928	7.9
123.11729	12.5
127.03907	67.3
131.08560	14.1
133.10123	33.3
135.11703	20.2
141.86122	9.4
145.04970	18.8
145.10101	37.5
147.11696	37.7
149.13266	16.0
154.57065	8.3
159.11707	19.5
161.13272	36.4
173.13210	11.5
175.14813	20.4
183.13904	9.3
185.13185	17.2
187.14757	16.2
201.16435	35.2
203.18007	32.2
255.21115	9.4
405.35257	100.0
423.36328	91.2
441.37204	14.0
671.40869	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	724.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37906	2.0
53.03964	2.2
55.05522	3.3
61.87749	2.1
67.05510	24.1
67.89517	2.1
69.03437	5.4
69.07071	14.7
71.08619	2.9
73.02951	2.3
75.85600	1.9
79.05502	11.0
81.03436	5.4
81.07068	35.5
82.14211	2.2
83.08644	8.4
85.02916	16.1
87.00827	9.1
91.05455	2.8
93.07040	20.8
95.08607	52.3
97.02901	10.6
98.62481	2.3
99.04480	2.8
100.30333	2.1
105.01872	5.3
105.07033	25.9
107.08616	36.1
109.02895	5.2
109.10163	68.0
111.11702	2.3
119.08594	33.9
121.10120	30.0
123.11709	30.0
125.09672	2.0
127.03923	17.1
131.08574	8.6
133.10135	22.6
135.11710	23.1
137.13264	9.2
143.08524	3.3
145.10103	22.6
147.11694	27.1
149.13258	18.9
149.46945	2.7
157.10081	7.9
159.02931	3.6
159.11662	24.0
161.13263	32.7
163.14851	21.1
171.11700	4.3
173.13264	18.8
175.14903	18.9
177.16367	9.4
179.14355	3.0
185.13304	10.1
187.14839	28.3
189.16420	17.0
197.13155	3.3
199.14877	4.1
201.16422	17.7
203.17923	4.0
205.15840	8.6
211.14914	2.3
213.16370	10.6
215.17978	4.7
217.19557	13.2
227.17915	5.0
229.19513	9.5
239.18129	4.1
242.75732	2.2
243.20976	4.1
245.19113	3.3
245.22702	3.4
253.19415	3.1
255.21024	2.5
257.22595	2.5
267.20862	2.7
269.22537	2.5
281.22876	2.4
295.24167	8.7
297.25543	3.0
299.23691	3.1
313.25357	2.5
367.29880	3.9
378.97360	2.4
405.35181	42.8
423.36182	100.0
441.36584	2.9
476.30664	2.8
511.86740	2.4
653.40460	2.7
671.41461	22.4
689.42322	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	724.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87870	2.8
60.62043	3.0
63.24900	2.9
64.62911	3.8
67.05501	18.6
69.03415	3.4
69.07071	25.6
71.08639	4.2
79.05508	6.6
79.07829	4.1
81.03435	6.9
81.07063	41.2
83.08617	13.2
85.02908	5.9
87.00819	4.4
91.05480	6.1
93.07059	27.0
95.08605	63.1
95.48190	3.4
97.02892	23.1
97.10164	5.8
99.04468	4.6
105.07037	29.9
105.24204	3.2
107.08594	44.0
107.12762	3.2
109.10162	91.7
119.08575	41.4
121.10140	42.9
123.11687	24.0
127.03912	13.1
131.08556	7.2
133.10138	33.2
135.11693	28.0
137.13261	5.9
143.08594	5.6
145.10109	29.9
147.11673	31.6
149.13261	21.1
157.10143	5.0
159.11668	33.0
161.13210	32.4
163.14804	13.9
171.11723	7.5
173.13275	25.1
175.14807	20.7
177.16367	4.6
187.14842	19.7
189.16376	13.8
191.17953	8.7
196.35529	3.6
199.14874	8.7
201.16293	35.3
203.17921	30.6
205.19507	5.2
215.18062	13.7
217.19531	16.2
230.06439	3.5
237.16232	4.1
245.22554	5.7
293.22382	3.9
295.24377	4.6
365.32126	3.8
405.35123	84.8
423.36142	100.0
441.37222	14.6
671.41071	22.9
721.79395	4.1
752.07709	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	724.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73208	0.8
53.03940	1.1
53.87834	0.8
55.05513	9.5
55.18612	1.1
57.07073	6.0
57.32666	0.9
59.05025	1.4
62.82845	0.8
64.07817	0.9
65.03931	0.9
67.05505	23.4
69.03440	6.8
69.06697	1.6
69.07069	38.7
71.04994	1.0
71.08627	1.1
78.81533	0.9
79.05486	12.0
81.03423	4.9
81.07059	50.1
83.08633	10.7
85.02901	19.4
87.00824	6.5
91.05473	9.0
93.07040	30.8
95.04951	1.9
95.08601	54.0
97.02879	8.6
97.06528	1.8
97.10174	5.3
99.04426	1.4
105.01868	6.3
105.07040	37.4
107.08588	54.3
108.04490	1.4
109.02876	8.2
109.06530	1.7
109.10155	88.6
111.08035	1.1
111.11714	5.2
117.07025	4.8
119.08574	40.3
121.10140	46.8
123.08036	1.2
123.11695	27.2
127.03910	13.7
129.01828	1.1
129.06989	1.5
131.08554	23.0
133.09193	1.8
133.10129	34.6
135.08090	1.4
135.11682	24.6
137.09583	3.7
137.13219	7.1
143.08551	7.8
145.04964	2.1
145.10127	38.6
147.11682	36.7
149.09543	1.3
149.13257	29.0
151.11230	3.7
151.14781	1.4
155.08636	1.7
157.10088	9.1
159.02861	3.5
159.11668	28.8
161.13246	33.3
163.11212	1.2
163.14792	11.1
169.10103	2.1
171.11658	7.9
173.13228	21.6
175.14827	20.4
177.16368	4.6
183.11641	4.1
185.13258	11.1
187.14807	24.1
189.12840	1.3
189.16385	16.6
191.14255	1.1
191.17961	8.5
197.13277	5.7
199.14822	11.9
201.16377	32.5
203.17947	29.8
205.15825	1.6
205.19508	1.7
207.17445	1.3
211.14819	4.2
213.03847	1.1
213.16391	8.9
215.17892	11.3
217.19502	16.4
219.17456	5.2
219.21002	1.4
223.86322	1.1
225.16362	4.7
227.17966	6.2
229.19418	2.1
231.04883	2.0
231.20981	1.2
235.20528	1.1
239.17963	4.0
241.19485	5.0
243.20987	1.8
249.15228	1.3
253.19511	2.0
255.21062	5.4
257.22729	1.4
267.21088	4.5
269.22604	2.2
271.24133	4.0
277.74191	1.2
279.20984	2.2
281.22711	4.0
283.24307	1.4
284.09750	1.3
293.22507	1.3
295.24094	3.9
307.24283	1.6
309.25537	1.5
321.25845	1.4
323.27380	5.6
327.26758	3.8
335.27252	1.2
341.28311	2.3
363.30023	1.6
365.32074	16.1
405.35150	70.1
423.36166	100.0
441.37213	40.6
459.38385	4.2
668.46704	1.1
671.41644	7.1
689.41058	1.2
724.46765	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	725.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75442	1.1
77.68360	1.4
78.01585	1.1
78.17082	1.2
79.05499	1.8
81.07066	2.3
92.20946	3.2
93.07030	1.8
95.08604	2.2
97.16663	1.2
118.37427	1.2
122.17767	1.3
128.43460	1.3
130.73564	1.3
140.58638	1.4
147.04413	1.5
165.05479	2.0
167.07042	20.9
189.05409	1.6
225.13847	2.1
226.14674	1.8
239.15491	2.1
248.08437	1.3
301.07025	11.7
302.07507	7.6
303.07684	5.9
447.21799	1.7
459.21902	3.2
475.21359	11.5
483.21890	1.8
484.22397	2.1
487.21378	13.4
491.21118	2.0
501.23395	9.7
502.19614	13.5
513.23163	1.6
515.21271	6.1
519.24103	2.2
528.22485	1.4
529.22766	13.0
533.25421	7.5
551.26898	3.1
561.24976	77.4
572.24188	2.0
588.24207	2.0
589.24469	20.7
621.27130	3.0
685.41943	1.6
707.27075	100.0
725.28082	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	725.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75544	0.4
69.07090	0.5
69.60301	0.4
70.06591	0.9
77.23907	0.5
84.86063	0.5
86.09706	0.6
96.08138	2.6
108.08131	1.2
110.09696	2.4
120.04447	0.5
120.08099	2.6
122.06041	3.1
124.07603	5.6
136.07581	2.6
138.09129	6.5
148.07550	0.9
152.07063	27.8
160.03925	0.8
166.08638	10.8
172.03928	20.9
174.05511	0.6
182.08139	4.1
190.04991	7.4
190.42485	0.5
194.08128	100.0
200.09151	0.6
204.06563	95.8
212.09175	51.3
241.09654	0.8
255.11136	0.6
259.10739	3.7
273.12344	1.0
283.10834	2.2
290.50867	0.5
295.10696	0.9
297.12415	4.1
299.13971	0.6
300.72702	0.6
301.11835	5.8
311.10181	2.6
315.13501	0.9
319.12891	3.0
325.11880	7.0
329.14832	0.7
333.14502	4.1
337.13797	1.1
339.09818	6.6
343.12686	1.0
351.15518	2.7
357.10541	3.1
357.14423	14.2
371.12445	4.0
458.16428	0.6
492.17450	0.7
524.20062	0.6
528.20044	4.5
536.20026	2.4
542.21259	1.8
552.22998	0.6
560.22186	2.1
657.25519	2.4
661.24530	1.1
675.25989	2.9
689.27545	2.0
693.26666	3.3
707.28760	6.0
725.29504	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	725.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43700	0.5
54.77804	0.5
57.42557	0.5
65.30927	0.5
73.92151	0.5
75.77350	0.6
75.93182	0.6
81.65432	0.6
87.03552	0.6
87.59014	0.6
91.55473	0.7
92.21368	3.1
97.51920	0.6
124.07581	2.7
124.29259	0.6
125.08360	0.9
138.09145	3.9
139.10091	0.7
143.66455	0.6
150.09166	0.8
154.08676	1.3
168.10196	71.4
190.08565	0.8
194.11800	1.3
204.10411	0.7
222.11263	8.3
235.10696	1.1
236.12859	7.2
262.10806	5.8
297.03506	0.6
301.07352	0.7
309.12210	1.3
315.09784	1.6
323.10440	0.8
324.11127	1.0
335.10425	1.1
337.11813	1.0
338.12576	1.3
351.09610	0.7
353.07480	0.9
358.15707	0.7
365.11292	8.9
366.11981	1.2
368.09985	1.4
369.10651	8.1
369.14325	1.0
382.11682	0.8
383.12344	9.6
386.14810	0.9
397.13992	3.9
402.14532	1.0
414.14661	0.7
426.14056	1.5
427.15314	0.8
430.13477	1.2
434.17352	0.9
444.15945	0.9
447.14426	1.2
462.16553	0.8
472.15076	2.7
476.18185	2.7
477.18683	3.6
490.15811	6.2
492.21286	4.6
504.17636	5.5
508.21097	21.1
536.20258	10.2
540.19641	1.4
568.22919	100.0
569.23633	3.0
643.23694	7.1
661.24615	1.4
675.26685	3.3
693.27301	1.0
725.28979	1.5
745.38928	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	725.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.4
55.98804	0.2
65.81435	0.2
67.05509	3.6
69.03423	1.0
69.07056	0.4
79.05521	0.4
80.28687	0.2
81.03406	2.7
81.07055	3.3
83.08632	0.3
85.02901	0.4
88.77615	0.2
93.07028	0.5
95.08596	2.1
97.02889	1.3
105.07001	0.4
107.08567	0.5
109.02898	0.5
109.10179	1.2
121.10145	0.4
123.11707	0.3
161.13199	0.3
177.59854	0.2
263.23764	0.5
281.11029	0.3
286.04712	0.5
301.07053	100.0
407.27798	0.3
427.23898	0.3
530.77954	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	725.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54494	0.5
55.05520	1.0
57.03432	0.6
58.77366	0.6
62.61265	0.6
67.05508	8.0
69.03430	3.7
69.07079	0.8
69.07726	0.6
75.50073	0.8
79.05502	6.7
81.03429	4.4
81.07066	8.4
83.08649	1.0
85.02923	1.2
91.05479	3.4
93.07028	6.2
95.04959	1.2
95.08589	7.1
97.02876	1.7
103.03899	0.7
104.75740	0.7
105.07030	3.7
107.08598	3.8
109.02820	1.0
109.10149	2.8
117.07076	0.9
119.08581	3.2
121.06515	0.9
121.10146	3.4
123.04413	8.7
131.08540	3.4
133.06496	4.6
133.10143	3.0
134.03629	1.4
135.04436	2.6
135.11684	3.2
137.06041	2.8
147.04427	11.4
147.11694	1.4
149.05995	0.9
149.13301	0.7
152.04680	2.9
157.06445	0.7
159.11676	1.7
161.05957	6.9
161.13252	1.1
163.07539	1.0
165.05455	11.1
167.07036	100.0
171.11665	0.8
173.05965	3.4
173.13168	1.0
181.08580	2.9
185.05913	0.7
187.07440	0.8
189.05470	6.6
191.07083	1.1
193.08670	9.3
201.09048	0.8
213.05539	1.2
215.06987	3.0
231.06549	4.1
261.21979	1.3
301.07034	10.3
302.07431	3.9
303.07605	1.5
303.12326	1.3
311.02277	0.8
315.12201	1.0
327.12418	3.5
345.13086	3.8
353.03589	0.7
369.13321	3.5
393.13293	10.1
411.14432	5.0
561.24957	1.6
671.35437	3.8
689.36493	7.4
707.26672	4.4
707.37872	3.4
725.28033	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	725.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	1.6
61.02937	5.0
69.03438	1.5
71.08607	1.0
73.02911	4.0
81.07073	5.2
85.02924	4.7
85.10238	1.0
91.03960	5.3
95.08610	2.5
97.02872	2.0
100.46566	1.0
103.46320	1.0
120.14433	1.1
121.10167	1.2
123.11687	1.2
124.63213	1.1
127.03944	2.3
147.11687	4.4
152.04544	1.1
175.95641	1.1
185.04305	1.3
243.08640	1.4
249.88272	1.2
251.12608	1.9
312.96295	1.2
454.33347	1.2
469.20523	11.9
497.31033	2.4
571.94769	1.2
687.67609	1.5
725.44440	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	1.2
56.08311	1.0
57.03449	2.0
61.02932	4.2
67.05506	4.9
67.96288	0.9
69.03427	1.5
69.07064	6.0
71.08638	11.3
73.02908	1.0
79.05486	4.9
81.03431	5.1
81.07068	7.7
83.04996	1.5
83.08632	4.2
85.02901	6.3
90.50549	1.0
91.03958	4.5
91.05486	5.1
91.27297	1.0
93.07041	6.5
95.04942	2.5
95.08609	6.2
97.02888	1.8
97.10167	4.4
99.08090	8.2
99.61996	1.0
105.07021	1.2
107.08607	6.1
109.10153	5.9
117.06963	1.6
119.08565	5.7
121.10123	4.4
123.11734	1.7
125.09624	4.3
127.03955	1.7
131.08588	2.0
133.10139	5.9
135.11687	1.6
137.09619	1.6
147.11685	2.2
149.13287	1.1
151.11171	1.9
157.10159	1.2
159.09238	1.3
159.11661	2.4
177.12804	1.6
189.11134	1.1
193.12236	2.4
267.15921	1.5
269.17291	1.5
275.20032	6.5
285.16901	17.7
293.21094	100.0
349.23618	2.6
351.25159	4.4
367.24780	67.3
385.25751	2.1
398.27341	1.1
592.05389	1.3
724.81775	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	726.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17474	1.7
55.05511	2.8
57.03458	1.9
63.96745	1.8
67.05503	8.7
69.07073	1.7
71.08622	11.8
75.27476	1.8
79.05495	3.5
81.03449	3.1
81.07056	8.1
83.08600	1.8
83.75306	1.7
85.02905	2.0
91.03983	1.8
93.07028	3.7
95.08611	3.7
97.02897	2.5
97.10149	3.5
99.08101	10.1
99.46168	1.9
107.08585	7.2
109.10159	9.8
119.08592	4.4
121.10148	2.1
125.09652	9.4
131.08522	2.6
131.56006	1.6
133.10063	2.1
149.09662	1.9
151.11093	3.4
157.10175	2.0
189.11142	1.9
193.12151	2.3
202.25681	1.7
229.14259	2.1
232.19002	2.0
275.20059	3.8
285.17017	8.3
293.21085	100.0
308.39056	2.0
367.24734	73.9
557.23035	2.1
580.27875	2.2
583.81848	2.0
645.06903	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	726.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.4
55.05519	6.9
57.03436	8.2
60.15015	1.5
61.02923	9.2
67.05515	37.8
69.03440	7.0
69.07079	14.5
71.05021	2.4
73.02908	3.7
79.05509	19.4
81.03407	8.1
81.07065	48.0
81.16656	1.5
83.04987	6.5
83.08611	12.6
85.02901	19.6
85.06580	2.5
87.04462	2.3
89.59948	1.9
91.03966	8.2
91.05462	12.7
93.07046	37.2
95.04973	3.6
95.08617	22.1
95.57048	1.6
97.02899	10.9
97.06511	11.7
97.10181	2.3
99.04430	2.6
99.08115	3.1
101.14329	1.5
104.76260	1.8
105.07040	18.3
107.08591	26.2
109.02868	1.8
109.10168	17.6
110.38700	1.6
111.08073	8.0
113.63631	1.8
117.07020	9.5
119.08587	17.9
119.68732	1.7
121.10154	21.6
121.82107	1.7
123.08054	3.5
123.11687	2.5
125.09637	4.1
127.04010	5.3
131.08569	14.5
133.10129	22.2
135.08089	3.0
135.11687	25.6
137.09622	3.1
139.11177	1.9
145.04958	4.0
145.10161	14.2
147.11690	11.4
149.09641	8.9
149.13271	30.2
153.09134	1.8
157.10153	4.0
159.11690	25.2
159.22368	2.2
161.13246	3.3
163.06035	2.6
163.11194	7.4
169.10040	3.1
169.79935	1.7
171.11716	3.6
172.27222	2.2
173.04353	1.8
173.11743	6.7
173.13272	8.2
177.05475	9.4
177.12746	13.2
179.14293	3.0
181.12268	2.5
183.11711	3.4
185.13377	2.0
195.13814	8.7
229.14290	13.3
239.17969	3.3
255.15877	26.8
257.18839	6.4
269.17468	100.0
273.16974	4.2
275.20010	7.9
281.38818	1.8
349.23712	54.2
367.24854	18.4
368.36588	1.8
431.22913	2.5
433.30823	12.3
451.59866	2.5
493.33530	3.8
511.28470	3.3
511.34943	2.2
655.36542	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	726.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.05515	2.5
56.09903	0.8
57.03445	10.4
61.02931	8.6
67.05519	13.1
69.03423	2.3
69.07066	6.5
70.42000	0.9
71.04995	1.8
73.02911	4.9
73.07244	1.0
79.05497	11.5
81.03445	1.4
81.07070	19.0
83.04983	1.5
83.08608	6.6
85.02911	13.9
85.06553	1.9
91.03973	9.0
91.05488	12.1
91.10951	1.1
93.07059	17.6
95.04906	1.3
95.08608	16.3
97.02883	7.0
97.06536	1.3
97.65886	0.9
99.08079	5.2
105.07028	20.5
107.08602	16.8
109.02877	1.2
109.06496	2.3
109.10163	5.5
111.08072	1.5
117.07012	13.4
119.08578	26.4
120.49746	1.0
121.06551	1.8
121.10145	11.3
123.08035	1.5
123.11776	1.3
127.03918	2.5
129.06972	7.1
129.67891	1.2
131.07054	1.6
131.08556	19.2
133.10149	15.9
135.08031	1.5
135.11682	2.2
143.08543	12.5
145.04985	4.7
145.10133	31.1
147.11717	17.9
149.09595	7.2
149.13260	1.6
155.08549	1.4
157.10158	10.6
159.11688	31.8
161.09579	2.0
161.13239	10.3
163.11188	4.6
169.10126	5.6
171.11685	5.7
173.09615	1.3
173.13258	15.6
175.14960	3.5
183.11661	8.4
185.13249	26.4
187.14784	1.7
197.13286	6.0
199.14818	2.5
201.16353	3.9
203.14398	9.6
211.14931	1.7
215.17966	1.3
218.14468	1.0
219.17459	8.8
229.19493	4.8
236.78651	1.0
239.17947	10.6
257.18988	24.4
269.17560	2.3
274.96255	1.1
275.20111	26.0
295.19162	1.2
297.20496	1.1
308.56335	1.1
309.20551	2.4
313.93976	1.0
331.22574	2.1
339.03354	1.2
349.23721	100.0
367.24820	13.5
475.26801	2.0
482.47464	1.1
493.27667	4.2
511.28964	9.8
606.10846	1.1
614.81689	1.3
637.73523	1.1
702.23004	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	726.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	8.3
57.03449	23.4
60.79914	3.0
61.02925	18.4
66.41109	3.0
67.05515	69.1
69.03426	12.1
69.07077	32.0
71.04988	7.2
71.78067	2.9
73.02915	7.8
79.05508	41.4
80.34942	2.9
81.03417	18.4
81.07066	78.8
83.04971	13.5
83.08624	22.6
85.02902	35.3
85.06551	5.5
91.03944	25.5
91.05474	45.8
93.07046	78.6
95.08588	31.7
97.02892	18.7
97.06548	17.4
97.10196	11.5
105.07035	36.7
107.04992	3.4
107.08593	55.7
108.67435	3.2
109.06529	7.7
109.10156	59.7
111.08100	4.3
117.07010	31.0
119.08579	47.5
121.10133	47.6
123.08096	3.7
123.11668	5.1
125.09626	6.7
127.03956	13.4
129.06999	7.6
129.10173	4.3
131.08566	30.8
133.10120	44.9
135.08041	5.8
135.11713	31.9
137.09610	7.4
143.08565	5.9
145.10133	30.1
147.11707	31.7
149.09633	16.1
149.13280	19.0
155.10692	6.4
157.10107	13.4
159.11703	44.6
161.13261	7.3
163.11163	6.2
171.10263	3.6
171.11668	12.9
173.11746	14.1
173.13260	13.1
177.12770	18.4
179.14348	3.7
185.13226	7.4
201.16399	4.3
206.31308	3.3
219.17500	6.3
227.12752	4.7
229.14340	62.6
239.18066	4.8
255.15936	32.0
257.19095	14.9
269.17487	98.2
275.20108	28.8
291.19583	6.2
309.20560	68.3
349.23758	100.0
367.24860	41.3
431.22586	5.4
511.29050	21.0
633.40509	3.7
682.90869	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	726.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38741	1.6
55.05526	2.6
61.02917	2.4
62.80816	1.9
65.03967	1.8
67.05510	20.0
69.03440	1.8
69.07064	8.5
79.05504	4.5
81.03452	2.3
81.07061	21.4
85.02890	9.5
91.05474	4.6
93.07034	13.3
94.14007	2.0
95.04977	1.8
95.08607	22.2
97.02919	2.3
97.06567	1.8
99.04457	1.9
99.64512	2.2
104.65544	1.9
105.07043	13.7
107.08587	18.0
109.06480	2.4
109.10155	58.9
117.07008	2.5
119.08581	25.0
121.10139	18.0
123.11686	4.6
125.09662	2.7
127.03964	2.5
129.06998	1.9
131.08563	7.7
133.10136	16.0
135.08000	3.0
135.11682	8.0
143.08543	3.6
145.10146	15.1
147.11699	15.5
149.09720	2.6
157.10155	3.7
159.11716	14.9
161.09601	2.6
161.13258	8.8
163.07489	2.2
165.37079	2.0
169.10089	2.8
171.11687	8.2
173.13211	16.2
175.14841	7.6
185.13264	9.5
187.14821	13.2
189.12871	2.8
191.14352	2.8
197.13208	2.4
199.14847	8.4
200.63272	2.4
201.12726	2.4
201.16441	3.1
203.14502	2.9
209.13333	2.6
215.14284	4.6
217.15881	4.5
223.14923	2.4
227.14244	2.9
229.14261	2.8
241.15788	3.0
241.19684	2.3
245.15588	2.4
248.29910	2.1
259.20462	2.5
279.20779	2.3
308.21054	2.6
351.25491	2.9
415.29907	4.7
433.31003	25.9
451.32101	40.5
493.33008	11.4
511.34183	100.0
598.41431	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	726.5062
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56716	1.1
55.05512	4.7
57.03423	1.9
58.92177	1.0
67.05237	1.2
67.05515	19.4
69.07065	8.3
77.48459	1.1
79.05504	10.9
81.07071	23.5
83.08609	4.8
88.29262	1.0
89.80511	1.1
91.05489	5.8
91.81692	1.3
93.07050	18.1
95.08611	22.3
97.06522	2.0
97.10196	2.0
105.07038	5.0
107.08595	16.0
109.10155	7.6
111.87149	1.2
113.00016	100.0
117.07034	2.1
119.08562	8.3
121.10135	11.7
123.11703	2.3
131.08539	2.2
133.10121	4.9
135.11734	10.8
145.10129	2.3
147.11662	6.6
149.13229	5.2
159.11682	2.0
161.13297	2.1
169.02599	74.8
169.04022	2.7
173.13235	3.0
184.18666	1.4
187.03625	5.5
187.14772	2.1
205.81940	1.4
220.58545	1.2
239.59077	1.4
243.21141	9.4
261.22086	21.6
262.83429	1.2
291.23367	1.4
313.77902	1.5
317.24820	1.7
335.25800	41.5
354.63403	1.5
429.24005	12.6
478.66138	1.4
505.67599	1.5
544.93048	1.8
716.38086	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	727.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.6
55.01884	0.4
57.03437	0.3
61.02913	0.6
68.99801	0.3
69.00542	0.2
69.03440	2.5
71.04977	0.2
73.02901	0.5
78.45353	0.2
81.03438	3.0
85.02914	5.5
87.00794	1.8
97.02871	1.4
99.04440	1.3
105.01860	1.0
109.02882	3.1
117.01844	0.4
124.72599	0.3
127.03905	3.6
129.01868	0.6
138.84456	0.2
145.04929	1.2
159.02873	1.5
231.04982	0.4
317.06549	100.0
429.21243	0.3
470.01605	0.3
479.11859	33.1
565.11450	1.9
580.47931	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	727.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00916	0.1
54.38407	0.2
61.02911	0.2
65.03935	1.2
67.05495	0.3
69.03437	0.3
80.68050	0.2
85.02903	1.2
91.05492	0.9
92.21227	1.1
93.03413	2.8
95.04986	0.3
97.02895	28.2
107.04951	0.4
111.04462	0.2
119.04944	3.6
121.02854	1.5
125.02333	0.3
128.06218	0.3
131.04936	0.3
131.08569	1.1
141.06966	0.8
143.08594	0.3
144.05678	0.7
147.04413	34.7
149.02365	2.9
153.06952	0.4
157.06468	1.2
158.07222	0.3
159.08055	12.3
167.03400	7.6
169.06473	4.4
171.08041	1.3
173.54099	0.2
177.05449	0.4
185.05995	1.5
187.07542	6.4
197.05989	4.9
214.10396	0.2
215.07030	4.8
218.51266	0.2
225.05322	0.3
229.79619	0.2
243.06509	1.3
261.07571	17.6
279.08618	2.6
287.05496	100.0
312.02768	0.2
329.06494	1.0
340.99930	0.2
449.10675	0.9
494.16168	0.2
539.73370	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	727.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39516	0.1
65.03934	0.6
67.05486	0.1
69.03430	0.3
78.10957	0.1
81.03423	0.2
85.02898	1.2
91.05486	1.7
93.03417	0.3
97.02892	8.4
109.02828	0.1
119.04939	6.9
121.02882	0.3
121.08643	0.1
127.03961	0.2
131.08575	0.3
141.06938	0.2
145.02919	0.3
145.06488	0.2
147.04405	53.3
149.02386	0.6
153.01810	0.2
153.06972	0.2
154.95140	0.2
157.06496	0.3
159.04372	1.0
159.08028	2.2
159.53540	0.1
165.01863	0.2
167.03362	1.1
167.04659	0.1
169.06441	1.0
171.08081	0.2
177.05478	1.7
185.06017	1.2
187.07527	1.4
197.05968	1.4
215.06995	0.9
219.26694	0.2
225.05251	0.2
241.04945	0.2
243.06477	2.8
244.95222	0.2
261.07568	1.9
279.08664	1.3
279.11447	0.1
287.05478	100.0
297.12512	0.2
299.05457	0.2
309.09015	0.3
317.06509	0.3
327.09729	0.6
329.06671	1.2
342.12091	6.9
343.12933	1.0
449.10516	0.9
468.17712	0.2
482.19220	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	727.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04124	0.7
51.10006	0.8
66.30354	0.9
69.38490	1.0
69.79531	1.0
70.06593	2.2
92.21143	1.8
92.34300	1.2
113.28304	1.0
121.10136	1.2
127.03911	1.3
140.06984	1.2
177.05363	1.2
181.14738	0.9
265.92383	1.0
277.09729	1.4
279.11453	1.1
293.12842	9.5
295.10812	1.2
297.12375	1.7
307.10779	4.5
309.12354	2.0
312.14896	2.0
317.06668	6.9
321.12595	1.2
325.11777	15.1
333.08389	1.6
337.11725	4.8
338.12567	1.8
339.13510	8.5
351.09753	18.9
353.14969	18.2
365.11057	2.2
366.12125	47.6
369.14365	13.8
371.15939	10.3
383.12341	6.1
397.13904	9.8
398.14731	26.2
399.15793	1.5
402.86316	1.2
414.14392	1.5
415.14825	4.2
429.16473	6.7
479.11591	1.3
505.18219	6.3
538.21765	8.1
570.24536	100.0
645.25629	8.0
677.27539	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	727.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.8
54.35888	1.3
55.05524	2.9
57.03445	1.9
57.77701	1.3
61.02951	2.5
67.05521	12.4
69.03429	22.6
69.07078	13.7
73.02929	3.1
79.05504	6.4
81.03436	19.5
81.07076	15.8
83.08641	2.0
84.56816	1.3
85.02907	33.0
87.00835	13.2
91.05492	7.0
93.07034	15.5
95.08614	32.7
97.02898	18.9
97.10193	1.7
99.04466	9.3
105.01878	7.6
105.07039	17.5
107.08597	21.9
109.02881	24.0
109.10184	19.8
117.01874	1.7
117.07030	1.8
119.08573	30.4
121.10124	17.2
123.11679	2.5
127.03909	31.5
129.01808	2.4
129.07039	2.1
131.08586	8.0
133.10130	17.7
135.11722	7.6
143.08597	9.0
145.04953	5.3
145.10138	28.7
147.11684	16.5
149.13303	7.1
155.08604	1.6
157.10114	17.8
159.02885	14.9
159.11685	20.5
161.13263	11.3
163.14885	1.9
169.10191	9.9
171.11671	18.2
173.13206	14.4
175.14857	7.7
181.10141	3.0
183.11636	11.5
185.13235	12.5
187.14818	11.0
195.11676	11.7
197.13249	12.3
199.14885	8.6
201.16475	7.7
207.11763	3.5
209.13344	9.7
211.14894	8.0
213.16449	9.2
215.18166	2.3
217.15944	3.7
221.13284	3.0
222.14136	2.0
223.14771	10.6
224.15706	1.4
225.16324	10.7
227.17982	5.9
231.05005	1.9
233.13321	1.8
235.14825	7.7
237.16357	21.2
238.17360	2.2
239.17952	7.8
241.19731	1.8
249.16473	3.4
251.18015	9.1
253.19600	6.4
263.18045	2.2
265.19629	8.7
267.21054	2.8
275.18118	1.5
277.19525	11.0
279.21222	6.9
291.21143	8.1
292.21878	9.3
293.22784	7.4
298.95303	1.4
305.22751	2.2
319.24246	3.6
331.24036	1.8
345.25723	2.9
361.29007	2.0
401.31989	54.3
403.33911	2.5
417.49536	1.7
419.33078	28.7
461.34079	46.8
463.35419	2.7
479.35117	14.6
597.56677	1.9
623.39246	2.3
631.36255	2.5
649.37445	12.4
667.38434	88.5
683.40125	2.1
709.39679	3.6
727.40485	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08566	5.3
54.13595	4.7
55.05520	8.5
55.94765	5.3
57.03440	9.7
59.62758	5.4
61.02935	31.2
64.24832	5.6
67.05502	67.3
69.03436	12.9
69.07062	12.3
71.08637	6.2
73.02915	9.6
79.05493	30.1
79.07185	5.6
81.07063	92.0
83.04992	14.2
83.08630	14.8
85.02920	49.9
90.94736	6.0
91.03942	6.1
91.05478	23.8
93.07043	65.1
95.08598	73.8
97.02895	34.3
99.08114	12.7
105.07060	6.7
107.08599	58.3
109.10152	15.1
111.08109	6.5
117.07020	10.8
119.08571	11.8
121.08287	5.8
121.10132	39.6
123.04494	7.0
123.11710	14.7
127.03890	9.5
131.08566	14.4
133.10118	14.1
135.11711	43.1
145.05005	6.9
145.10141	14.4
147.11661	10.0
149.13245	38.5
159.11679	29.2
161.13231	8.1
163.14790	12.1
177.12764	12.1
187.14722	8.1
195.13748	7.3
196.45627	6.1
243.21100	24.6
245.13782	7.5
253.46315	6.2
261.22006	48.2
261.45285	6.2
269.17447	100.0
335.25668	7.0
351.25177	34.4
353.26852	84.2
367.90451	6.3
443.28000	8.1
455.56537	6.4
497.30682	13.3
606.43787	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	728.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82881	1.0
55.05516	7.8
57.03433	11.0
57.03676	1.2
57.07051	1.9
61.02930	8.9
61.97383	1.2
67.05507	39.0
69.03420	6.6
69.07068	12.5
71.04982	5.3
71.08633	14.9
73.02927	2.4
79.05502	14.5
81.03424	9.4
81.07059	43.0
83.04982	6.1
83.08634	14.2
85.02897	16.7
85.06554	1.9
91.03950	11.1
91.05478	9.7
93.07043	36.3
95.04971	5.5
95.08614	20.5
97.02892	8.2
97.06522	8.7
97.10177	7.8
99.04471	2.3
99.08102	12.4
103.03938	2.2
105.07039	7.8
107.04948	1.8
107.08600	24.2
109.02853	1.7
109.06519	1.8
109.10150	28.8
111.04444	1.5
111.08079	7.9
117.07026	6.6
119.08599	11.3
121.10165	16.2
123.11641	1.9
125.09624	7.3
127.03890	6.2
129.05458	1.4
131.08574	6.7
133.10123	12.4
135.11728	12.2
137.09608	1.9
141.12669	1.5
143.08591	1.8
145.04918	2.3
145.10094	2.6
147.11676	5.1
149.13257	27.8
151.11166	11.3
155.10728	2.5
157.10181	2.3
159.11658	16.6
161.13246	9.7
163.06163	1.6
163.11136	3.0
165.12759	2.3
173.11743	11.1
173.13057	1.3
175.14885	2.2
177.11375	1.2
177.12726	11.4
179.14307	4.6
185.13196	1.6
189.11154	6.4
195.13788	6.4
227.12810	5.2
229.14363	24.3
241.19324	1.8
251.16374	3.1
259.20465	2.2
269.17471	100.0
277.21640	10.9
278.58868	1.5
309.23016	1.3
351.25266	50.8
369.26236	12.0
385.00079	1.4
413.21460	6.0
507.80951	1.7
513.30548	8.9
531.31976	1.9
728.26575	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	728.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86371	3.4
55.05514	19.4
57.03450	10.0
57.07081	5.8
61.02921	23.7
62.18353	3.7
62.38663	4.2
67.05513	49.5
69.03432	5.7
69.07066	17.2
71.08626	16.5
73.02918	6.4
79.05509	41.5
80.30576	3.8
81.03421	6.0
81.07066	83.4
83.04977	8.8
83.08624	14.3
85.02912	43.5
85.06543	6.9
91.03973	29.1
91.05485	19.6
93.07041	55.8
95.04970	15.6
95.08614	42.5
97.02909	24.7
97.06554	7.6
97.10184	5.3
99.08123	15.9
105.07032	15.8
107.08609	58.0
109.10149	27.4
111.08124	3.7
117.07052	16.2
119.08605	17.8
121.10147	49.4
123.08081	3.8
123.11696	8.3
127.03920	18.0
131.08562	16.7
133.10124	27.7
135.11661	31.8
144.93665	4.4
145.04984	20.1
145.10097	19.2
147.11661	9.6
149.13300	38.4
151.11226	7.9
159.11694	19.0
161.13246	19.8
163.05991	5.2
163.14825	9.3
164.33623	4.2
173.13255	10.0
175.14772	5.5
177.12778	6.4
177.16415	5.3
180.29564	4.5
187.14830	5.2
193.05005	7.3
195.13780	4.7
225.96657	4.3
243.21094	22.3
245.13495	4.5
261.22134	49.1
269.17465	83.6
277.21695	6.3
351.25363	28.2
353.26901	100.0
391.67596	5.1
441.65485	4.1
443.89822	4.3
497.30768	16.4
534.49902	5.7
545.02649	6.0
627.95239	4.3
641.21521	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	728.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	3.0
57.03430	2.7
61.02924	3.2
61.49390	2.8
67.05502	58.4
69.07069	5.0
71.79106	2.5
79.05497	25.3
81.03430	3.5
81.07063	38.4
83.11130	2.6
85.02909	35.8
91.05457	7.0
91.13695	2.7
92.21483	4.6
93.07033	29.4
94.80687	2.7
95.08613	42.2
97.02889	12.0
105.07042	5.5
107.08589	100.0
109.02862	4.4
109.06473	4.4
109.10158	44.5
114.52653	2.6
119.08555	34.0
121.10146	35.2
123.08051	5.4
123.11672	3.3
125.09654	14.0
127.03944	6.0
131.08548	13.9
133.10123	18.5
135.11665	11.8
143.08594	5.4
145.10098	31.4
147.11681	21.1
149.13240	18.4
157.10141	18.3
159.11702	25.3
161.13222	24.9
163.14801	3.3
169.10085	14.0
171.11685	23.3
173.13245	12.2
175.14822	7.2
177.12773	7.0
183.11624	11.7
185.13306	6.5
187.14850	15.9
195.11662	4.0
197.13280	4.9
199.14819	13.6
201.16353	4.1
209.13194	11.8
211.14877	15.3
213.16414	11.5
223.14847	6.7
225.16388	5.7
227.17972	14.2
235.15005	3.6
237.16254	23.5
239.17958	13.0
240.40846	3.5
241.19495	3.5
251.17905	13.4
253.19466	17.5
255.17390	3.4
265.19519	6.0
269.17316	12.5
272.87131	3.3
281.18979	5.3
291.21167	5.3
293.19412	3.0
293.22610	15.6
351.25223	10.7
359.27390	4.8
399.30463	12.7
417.31461	87.4
435.32565	73.5
453.33441	4.1
459.32455	13.4
477.33780	43.1
495.34866	60.0
498.41315	3.9
513.35571	19.3
579.36395	3.7
597.37689	6.0
639.39178	5.4
647.03192	2.9
657.40094	38.6
675.41284	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	728.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	3.0
57.03430	2.7
61.02924	3.2
61.49390	2.8
67.05502	58.4
69.07069	5.0
71.79106	2.5
79.05497	25.3
81.03430	3.5
81.07063	38.4
83.11130	2.6
85.02909	35.8
91.05457	7.0
91.13695	2.7
92.21483	4.6
93.07033	29.4
94.80687	2.7
95.08613	42.2
97.02889	12.0
105.07042	5.5
107.08589	100.0
109.02862	4.4
109.06473	4.4
109.10158	44.5
114.52653	2.6
119.08555	34.0
121.10146	35.2
123.08051	5.4
123.11672	3.3
125.09654	14.0
127.03944	6.0
131.08548	13.9
133.10123	18.5
135.11665	11.8
143.08594	5.4
145.10098	31.4
147.11681	21.1
149.13240	18.4
157.10141	18.3
159.11702	25.3
161.13222	24.9
163.14801	3.3
169.10085	14.0
171.11685	23.3
173.13245	12.2
175.14822	7.2
177.12773	7.0
183.11624	11.7
185.13306	6.5
187.14850	15.9
195.11662	4.0
197.13280	4.9
199.14819	13.6
201.16353	4.1
209.13194	11.8
211.14877	15.3
213.16414	11.5
223.14847	6.7
225.16388	5.7
227.17972	14.2
235.15005	3.6
237.16254	23.5
239.17958	13.0
240.40846	3.5
241.19495	3.5
251.17905	13.4
253.19466	17.5
255.17390	3.4
265.19519	6.0
269.17316	12.5
272.87131	3.3
281.18979	5.3
291.21167	5.3
293.19412	3.0
293.22610	15.6
351.25223	10.7
359.27390	4.8
399.30463	12.7
417.31461	87.4
435.32565	73.5
453.33441	4.1
459.32455	13.4
477.33780	43.1
495.34866	60.0
498.41315	3.9
513.35571	19.3
579.36395	3.7
597.37689	6.0
639.39178	5.4
647.03192	2.9
657.40094	38.6
675.41284	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	728.5218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	8.9
57.03439	8.8
57.07081	1.3
60.77610	0.4
67.05509	22.5
69.07067	16.5
70.01442	0.4
71.04984	0.5
71.08634	1.1
79.05499	5.9
81.07061	29.3
83.04964	0.7
83.08622	12.8
85.06541	0.6
85.10214	0.9
85.53880	0.5
91.05470	3.9
93.07049	7.3
95.08603	27.3
97.06528	1.2
97.10162	5.1
97.33414	0.5
105.07028	3.4
107.08608	6.1
109.10155	14.6
111.08088	0.9
111.11720	0.6
113.00016	26.3
119.08609	4.4
119.17448	0.5
121.10132	5.4
123.11687	6.0
125.09658	0.7
133.10114	6.3
135.11717	3.4
137.13248	2.1
147.11681	4.4
149.13287	1.2
152.31787	0.5
153.12698	0.5
161.13248	2.0
163.14725	0.9
164.47678	0.5
169.02608	18.1
175.14862	0.8
187.03641	2.7
245.22572	1.0
263.23679	3.4
311.55859	0.6
337.27350	100.0
360.85950	0.5
431.25800	3.8
458.87943	0.6
604.01666	0.7
611.39801	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.5218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	8.9
57.03439	8.8
57.07081	1.3
60.77610	0.4
67.05509	22.5
69.07067	16.5
70.01442	0.4
71.04984	0.5
71.08634	1.1
79.05499	5.9
81.07061	29.3
83.04964	0.7
83.08622	12.8
85.06541	0.6
85.10214	0.9
85.53880	0.5
91.05470	3.9
93.07049	7.3
95.08603	27.3
97.06528	1.2
97.10162	5.1
97.33414	0.5
105.07028	3.4
107.08608	6.1
109.10155	14.6
111.08088	0.9
111.11720	0.6
113.00016	26.3
119.08609	4.4
119.17448	0.5
121.10132	5.4
123.11687	6.0
125.09658	0.7
133.10114	6.3
135.11717	3.4
137.13248	2.1
147.11681	4.4
149.13287	1.2
152.31787	0.5
153.12698	0.5
161.13248	2.0
163.14725	0.9
164.47678	0.5
169.02608	18.1
175.14862	0.8
187.03641	2.7
245.22572	1.0
263.23679	3.4
311.55859	0.6
337.27350	100.0
360.85950	0.5
431.25800	3.8
458.87943	0.6
604.01666	0.7
611.39801	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.5211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57122	0.8
55.05524	7.2
57.03432	6.8
59.20224	0.8
65.20232	0.8
67.05511	21.6
69.07079	13.9
73.63261	0.9
76.62268	1.0
79.05506	7.0
80.99351	1.2
81.07060	26.7
83.04948	1.1
83.08638	9.0
85.06530	1.1
85.57021	0.9
91.05445	2.1
93.07037	8.7
95.08607	23.6
96.05445	1.1
97.06518	1.6
97.10171	5.7
105.07035	3.7
107.08604	6.5
109.10162	9.6
113.00015	88.9
119.08562	3.7
121.10148	4.3
123.11689	4.8
133.10136	5.9
135.11720	2.1
137.09586	1.6
137.13232	1.1
147.11734	4.2
149.13257	1.3
163.14851	1.3
169.02602	100.0
175.14825	1.4
187.03690	5.5
221.32936	1.1
223.90868	0.9
245.22621	3.9
263.23718	9.4
264.39746	0.9
337.27362	43.7
344.30789	1.0
431.25531	22.2
670.00580	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	728.5879
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58403	6.5
56.00395	7.5
57.07083	63.0
69.07071	12.2
71.08628	19.7
71.58125	7.5
73.06551	8.5
83.08630	9.3
85.10181	12.6
87.04478	7.3
89.06026	100.0
92.20910	8.5
100.11266	51.0
133.08618	30.0
268.57874	8.8
298.66394	7.9
414.41998	9.8
711.55701	44.4
728.58435	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	729.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	7.7
70.06586	1.3
79.05447	1.3
81.03400	1.4
84.08146	5.2
85.02899	2.7
86.09712	2.0
87.09791	1.3
91.05437	1.5
92.21423	1.3
93.03401	5.2
95.04990	1.2
95.08617	1.2
105.07029	2.6
107.04940	5.0
110.03668	10.1
111.04447	18.3
119.04948	6.7
119.45273	1.0
125.05992	15.9
129.07001	2.0
131.04904	4.4
133.06514	2.4
134.16951	1.1
136.07596	1.4
137.05988	9.7
147.04425	6.7
151.07535	1.9
153.05460	62.4
157.17928	1.0
159.08023	6.4
161.05960	6.8
167.07028	39.0
167.08351	1.9
175.07530	11.7
177.05493	2.3
179.07034	5.3
186.06746	4.8
187.07520	12.3
189.05492	3.8
191.07050	4.3
199.07549	6.9
215.06993	2.4
216.07785	7.5
218.07280	1.7
219.08022	6.1
221.09702	1.7
229.08609	7.3
231.07967	2.3
233.09598	4.4
234.06639	1.3
236.08269	4.9
245.09628	1.4
246.06735	1.8
247.07549	6.6
248.08279	4.8
249.09091	6.5
251.01131	1.1
251.10614	19.3
261.09213	4.5
263.10693	2.5
264.07788	15.4
265.08539	2.5
266.09116	1.4
275.07120	4.2
276.07831	9.8
277.08551	7.0
278.09222	7.8
279.10138	7.6
280.10913	1.9
281.11536	4.2
285.85925	1.2
289.08609	5.1
291.10254	6.1
292.07123	4.4
293.08167	2.5
293.11594	2.2
294.08862	4.5
304.07397	1.5
305.08319	2.1
306.08917	2.4
307.09662	29.7
308.10486	12.0
309.11133	7.5
311.12759	4.0
317.06497	1.4
319.09717	9.2
320.10355	2.2
321.11328	2.5
323.12704	7.8
324.10043	1.9
337.10461	1.7
339.12268	100.0
341.13965	10.6
351.12292	28.9
353.13754	4.5
369.13464	12.5
572.21484	6.4
706.05389	1.3
711.92242	1.4
729.28503	2.7
729.44458	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	729.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66487	0.9
57.40404	0.8
60.30139	0.8
62.34312	1.0
70.06599	24.0
70.36808	0.8
72.08144	4.1
84.08141	1.5
86.09711	9.2
90.35286	1.0
91.97165	1.0
93.68954	1.0
98.06041	4.0
109.91316	1.1
122.06033	2.3
126.05541	2.1
127.08679	1.7
129.10216	1.1
133.06100	2.2
136.07565	1.6
138.12755	1.1
140.07066	1.2
153.05521	1.3
154.04979	6.2
154.08601	9.8
155.08174	7.2
155.50838	1.1
158.17789	0.9
162.09151	1.7
167.11772	1.5
168.10173	16.8
180.10199	2.2
182.08145	1.5
208.09666	11.4
209.10538	1.8
220.09476	1.1
222.11279	1.2
248.09184	4.7
250.10738	1.3
275.07864	1.9
276.08627	5.2
278.06503	5.9
280.11624	1.7
289.11813	13.8
306.09714	8.6
307.12872	13.4
315.09796	1.2
316.08038	8.3
317.11252	4.9
327.09708	2.0
335.12402	1.8
351.09695	1.6
355.12827	5.2
359.12387	1.5
383.12585	7.3
387.11761	4.5
415.15018	1.8
431.13623	1.1
481.27722	1.4
490.15863	1.6
501.26733	5.7
502.26459	1.3
522.18835	7.9
528.19397	1.2
540.19836	4.1
554.21204	4.9
572.22504	100.0
729.47198	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	729.418
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48054	0.9
69.07075	1.5
74.72511	1.2
76.12438	0.9
77.30556	0.9
81.07066	2.0
95.08617	1.4
105.07038	1.1
107.08579	1.4
109.10202	2.2
119.08590	1.1
145.10077	1.2
154.71935	1.1
161.13318	1.5
186.59636	1.2
221.31007	1.1
227.05183	1.2
245.06401	4.2
289.05307	14.1
495.24536	1.3
555.54828	1.4
625.40106	1.6
649.40863	2.6
667.42072	6.8
693.39398	4.3
711.40729	10.7
729.41760	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.42
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12107	2.4
53.03971	2.9
54.16787	2.4
55.05511	3.5
64.73896	3.0
67.05530	11.5
69.03411	26.5
69.07070	22.9
78.41541	3.0
79.05482	3.4
81.03426	14.4
81.07050	21.3
85.02904	30.1
87.00826	7.0
91.05488	6.7
93.07034	19.4
95.08614	42.6
97.02889	17.5
99.04420	4.5
102.40614	3.2
105.01851	4.6
105.07008	14.6
107.08597	25.5
109.02853	24.6
109.10151	30.9
117.07028	4.0
119.08582	33.1
120.31208	3.2
121.10131	23.9
127.03924	27.3
131.08600	12.2
133.10138	20.9
135.11662	6.4
143.08560	6.9
145.05002	4.1
145.10130	26.7
147.11691	16.4
149.13275	3.7
155.08591	3.9
157.10103	16.7
157.26753	3.0
159.11659	17.8
161.13248	18.4
169.10117	17.1
171.11705	17.9
173.13240	18.0
183.11751	11.7
185.13274	16.5
187.14856	14.8
189.16408	3.1
195.11725	6.8
197.13187	13.6
199.14873	13.0
201.16435	6.3
211.14931	6.7
213.16386	15.1
223.14886	6.6
225.16425	12.9
227.17865	4.7
237.16331	19.1
239.17944	38.9
251.17863	6.3
253.19739	9.5
265.19464	4.1
277.19547	4.9
279.21112	5.8
291.20758	4.1
292.21881	12.6
293.22574	4.2
372.70819	3.1
403.33679	79.7
421.34476	6.2
463.35770	50.4
492.19931	3.5
631.36401	4.0
669.39899	83.4
729.41931	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.4181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71859	0.5
61.22116	0.5
61.32346	0.5
69.07064	0.6
69.53239	0.5
78.97310	0.6
79.27436	0.5
81.07058	0.7
93.07053	0.6
95.08615	1.0
107.08649	1.0
109.10162	0.5
119.08631	0.6
121.10167	0.9
133.10233	0.7
135.11690	0.5
144.42059	0.5
203.05199	0.7
210.16322	0.6
219.03625	0.5
227.05347	1.2
229.03333	0.9
245.06276	3.9
248.83553	0.6
271.04382	2.4
289.05264	13.2
307.72034	0.5
453.01160	0.6
608.26050	0.8
643.42340	0.7
685.42859	3.3
697.25299	1.1
729.41779	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92091	0.7
80.26976	1.0
83.08630	1.1
89.77055	0.9
95.08604	0.9
104.53578	0.9
105.07008	0.9
109.10190	1.9
119.08598	1.1
121.63804	0.9
133.10152	1.5
138.69083	0.8
143.01872	1.2
157.03435	1.1
161.03108	1.4
184.13843	1.0
243.04761	4.6
259.33041	0.9
279.47882	0.8
287.03830	1.6
289.05298	1.6
346.73178	1.0
364.72595	0.9
403.33832	1.1
481.36243	1.3
487.34326	1.3
602.40131	1.0
643.41614	9.2
667.42181	1.5
685.42688	33.0
726.33478	1.0
729.41821	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.42
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12107	2.4
53.03971	2.9
54.16787	2.4
55.05511	3.5
64.73896	3.0
67.05530	11.5
69.03411	26.5
69.07070	22.9
78.41541	3.0
79.05482	3.4
81.03426	14.4
81.07050	21.3
85.02904	30.1
87.00826	7.0
91.05488	6.7
93.07034	19.4
95.08614	42.6
97.02889	17.5
99.04420	4.5
102.40614	3.2
105.01851	4.6
105.07008	14.6
107.08597	25.5
109.02853	24.6
109.10151	30.9
117.07028	4.0
119.08582	33.1
120.31208	3.2
121.10131	23.9
127.03924	27.3
131.08600	12.2
133.10138	20.9
135.11662	6.4
143.08560	6.9
145.05002	4.1
145.10130	26.7
147.11691	16.4
149.13275	3.7
155.08591	3.9
157.10103	16.7
157.26753	3.0
159.11659	17.8
161.13248	18.4
169.10117	17.1
171.11705	17.9
173.13240	18.0
183.11751	11.7
185.13274	16.5
187.14856	14.8
189.16408	3.1
195.11725	6.8
197.13187	13.6
199.14873	13.0
201.16435	6.3
211.14931	6.7
213.16386	15.1
223.14886	6.6
225.16425	12.9
227.17865	4.7
237.16331	19.1
239.17944	38.9
251.17863	6.3
253.19739	9.5
265.19464	4.1
277.19547	4.9
279.21112	5.8
291.20758	4.1
292.21881	12.6
293.22574	4.2
372.70819	3.1
403.33679	79.7
421.34476	6.2
463.35770	50.4
492.19931	3.5
631.36401	4.0
669.39899	83.4
729.41931	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88307	0.8
62.06481	0.7
82.16738	0.8
84.32294	0.7
88.02591	0.9
126.50885	0.9
130.32001	0.9
134.06049	1.7
136.31735	0.8
146.15033	0.9
225.13922	3.9
237.13936	4.0
242.48851	1.0
249.13934	1.3
251.15508	0.9
265.13235	0.9
269.12811	1.7
275.07736	0.9
275.15530	1.2
275.45425	0.9
293.12830	1.1
302.13010	0.8
327.09641	1.0
344.17328	1.2
354.16049	1.0
358.15576	1.3
372.17154	1.2
382.15686	1.8
400.16931	1.2
431.19250	0.9
432.19705	1.5
435.17697	1.1
442.17996	1.4
445.20255	1.0
447.22095	2.1
448.22635	2.0
449.19714	1.1
451.21310	1.8
458.17111	1.4
461.23825	1.8
462.24173	4.4
463.21384	1.8
464.22507	1.6
465.23087	4.0
471.22717	2.8
473.19943	4.9
474.20328	4.0
475.21341	4.3
478.20007	1.5
479.24771	7.1
481.22366	1.0
487.22089	6.2
488.22278	2.1
491.20981	4.0
493.22607	4.7
494.23227	1.9
501.18555	6.8
503.21039	1.1
505.22754	7.4
506.23077	1.8
507.24182	11.0
509.26181	1.2
515.21014	9.8
516.21600	9.0
517.22424	2.1
518.20197	1.5
519.24121	4.0
520.24469	4.9
521.25281	5.3
533.21802	8.1
537.25415	10.2
547.23834	6.5
548.24347	6.7
549.24316	1.4
551.26331	1.4
552.27063	1.4
565.24426	12.4
575.23218	1.8
579.25977	5.2
580.26788	21.5
595.74469	1.1
603.22253	1.4
605.25012	3.4
607.25677	4.2
635.24939	32.8
639.28522	1.7
649.26715	6.8
667.27625	45.5
668.28693	1.6
671.30432	1.5
699.30231	59.7
731.32843	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	732.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.8
57.23836	0.5
62.27097	0.6
63.63388	0.5
67.05510	5.8
67.62086	0.5
69.03428	0.5
69.07078	4.5
79.05485	1.5
81.03426	0.6
81.07066	4.6
83.04952	2.3
83.08593	1.0
84.70605	0.5
85.02911	3.0
85.06572	0.7
87.00831	0.7
91.05494	0.6
93.07022	2.8
95.04981	0.8
95.08621	7.0
97.02907	1.0
105.07053	2.5
107.08597	7.2
109.06526	5.9
109.10153	35.0
119.08572	3.7
121.10121	5.4
123.08039	1.2
123.11672	2.4
125.05990	0.9
125.09634	0.9
127.03904	1.2
133.10155	1.1
135.08061	2.9
135.11649	1.2
137.09612	1.2
143.08589	0.9
145.10133	3.0
147.07977	0.7
147.11694	5.0
149.09644	0.8
149.13348	0.9
151.11220	0.9
157.10069	1.0
159.11681	0.9
161.09607	2.4
163.11211	2.5
165.12779	2.4
169.10150	1.0
171.11647	2.4
171.14485	0.6
173.09583	1.3
173.13232	1.0
174.52014	0.7
175.11234	1.2
181.10020	1.0
183.11630	0.7
185.09547	1.2
185.13228	3.0
187.11203	3.8
189.12753	1.3
191.14279	1.4
193.10046	0.6
195.11801	1.3
197.13167	0.8
199.11201	6.2
201.12854	1.0
201.16472	0.7
203.14279	0.9
209.13177	1.1
211.11128	1.3
211.14828	1.2
213.12825	2.8
213.16368	0.8
215.14378	0.7
215.99359	0.6
221.13161	1.2
223.11119	1.1
223.14882	2.4
225.12665	0.9
225.37570	0.7
227.14275	1.4
227.18025	0.9
229.16071	0.9
233.39627	0.8
235.14783	0.8
237.12679	0.8
237.16357	0.9
239.14273	1.0
239.17831	0.7
241.15781	4.6
243.17418	1.2
245.13275	0.7
251.14310	0.8
251.18164	0.6
253.15825	1.4
255.17346	4.9
263.14209	1.1
263.17984	0.9
263.68906	0.6
265.15863	1.1
271.16846	1.3
279.17477	1.3
281.19101	1.3
283.16937	7.8
285.18460	1.2
291.16959	0.7
297.18515	5.7
307.20490	0.8
311.20087	1.3
321.21985	1.1
325.17874	2.3
325.21524	0.8
339.23148	1.4
345.21841	0.9
349.21628	1.4
361.25272	1.0
362.22485	2.7
363.23132	1.0
367.22641	1.3
375.23120	3.2
379.26288	2.9
381.24170	1.3
393.24268	3.8
400.65808	0.7
431.29379	15.0
449.30496	100.0
467.31152	0.8
510.58493	0.8
615.73657	0.9
639.21472	0.7
732.38727	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	732.41
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05827	0.4
58.06606	8.7
62.14452	0.4
68.38332	0.4
70.06581	0.7
72.08158	15.3
74.13120	0.4
84.08153	1.1
88.07632	3.5
90.09198	30.8
95.04971	0.6
102.09196	2.9
107.04964	8.2
133.06500	1.0
135.08058	73.1
135.26892	0.5
147.08041	1.2
161.09624	3.8
173.09612	9.0
173.58531	0.5
191.10681	10.7
209.11705	8.5
217.01158	0.5
301.07080	0.7
325.18069	2.2
340.50433	0.5
372.46365	0.5
384.25357	0.9
397.63943	0.6
433.98926	0.5
732.41052	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.5616
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89215	0.8
55.05514	4.7
56.05037	1.9
57.07077	5.0
60.04536	59.8
60.04845	2.0
62.72815	0.8
67.05505	13.0
69.07075	10.1
71.08649	1.9
72.04514	1.5
74.06089	1.6
75.68780	0.8
78.02744	0.8
79.05488	7.4
81.03442	1.7
81.07059	10.5
82.06583	1.2
83.04969	1.2
83.08616	10.3
85.10187	1.7
86.06112	1.0
90.05540	1.2
91.05482	7.4
93.07051	5.3
94.06568	2.1
95.04974	1.6
95.08609	13.5
96.08109	1.0
97.06516	2.1
97.10160	7.2
105.07028	2.1
107.08607	6.2
109.10162	8.0
111.11707	1.3
112.08692	1.0
119.08599	7.2
121.10145	6.8
123.11712	1.6
133.10136	6.1
135.11736	4.1
137.09605	2.0
137.32719	0.8
145.19983	0.9
146.10085	0.9
146.89532	1.0
154.44191	0.9
180.81912	0.9
236.08311	0.9
245.22777	1.2
250.25264	6.4
262.25281	36.5
263.23599	2.2
268.26227	1.3
280.26370	22.1
298.27536	8.9
330.54498	0.9
470.69650	1.1
477.08316	1.1
534.48718	6.7
552.41327	1.7
552.49854	46.2
570.50940	100.0
727.31885	1.0
729.94714	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	732.5615
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30843	4.2
55.37250	4.2
60.04532	48.1
63.11958	4.7
67.05515	9.0
69.07072	4.8
74.79707	4.6
78.48470	5.5
79.05509	5.2
81.07053	22.2
93.07062	5.1
95.08608	8.5
177.86935	5.4
206.91893	5.0
216.44118	4.9
231.76717	5.3
262.25363	31.2
275.02713	5.5
280.26358	25.7
298.27313	9.0
338.59021	6.1
450.57080	5.3
476.87369	5.9
552.50177	43.4
570.50891	100.0
701.91046	5.5
739.64063	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	733.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05649	1.1
67.15495	0.6
70.06606	1.8
75.98353	0.7
77.77002	0.7
79.61608	0.8
90.25661	0.7
95.03416	0.6
97.02896	28.6
111.05580	4.3
120.04490	3.2
121.02874	4.3
126.06660	1.1
132.04448	6.1
134.06059	3.6
140.55443	0.7
150.05568	0.8
168.08865	1.1
202.09917	1.8
216.11417	2.7
230.09274	6.5
231.07814	1.0
233.13969	1.3
242.09360	1.2
248.09109	1.2
257.10333	1.4
259.11880	95.3
277.12970	28.4
283.10989	1.0
284.11414	6.7
292.33414	0.7
302.12479	39.8
302.15903	1.3
318.52979	0.9
329.16092	1.4
345.15375	1.1
355.14307	1.1
373.15070	13.1
380.13599	1.0
385.28647	0.8
391.16110	16.0
398.14523	6.3
433.18466	1.8
553.21570	4.6
636.21088	0.8
685.71082	0.9
691.25336	1.1
733.26721	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.391
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82921	0.7
54.99342	0.7
58.45941	0.8
69.25591	1.0
75.89688	0.8
77.75056	0.7
83.95485	0.8
91.80817	0.8
100.89029	0.8
106.15107	0.8
123.40359	0.8
226.24675	1.0
285.04071	0.8
293.57983	0.9
305.77933	0.9
305.81512	0.8
332.34662	0.8
349.39352	0.9
402.82437	1.0
436.65524	1.0
733.39178	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52914	2.1
51.95206	2.2
67.95724	2.9
69.03429	20.8
71.04996	5.9
73.02927	4.0
79.86468	2.4
81.07053	3.7
83.08625	4.5
83.97488	2.8
85.02905	51.9
85.06529	5.4
86.98220	2.4
87.25391	2.4
95.08641	5.8
97.02900	100.0
97.10171	5.2
107.08585	16.7
109.10159	11.9
115.03931	67.3
119.08567	4.7
120.30754	2.7
121.10126	3.6
123.11712	4.8
125.09624	34.0
127.11177	3.9
131.08623	2.7
133.10085	2.7
135.11659	2.5
143.10681	49.7
145.10135	3.8
157.04961	66.2
159.11691	4.3
171.11632	2.6
173.13164	4.5
185.13200	5.0
199.14825	2.9
261.06067	42.6
321.64462	2.8
358.02615	3.0
402.67813	3.0
419.32895	11.3
437.34009	22.8
455.34659	4.4
715.39911	5.8
733.42780	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	733.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	3.6
60.48746	1.2
67.40095	1.2
69.03435	24.6
69.07075	3.0
71.04988	19.7
73.02906	2.7
73.06558	3.3
79.05473	1.5
81.07064	7.6
83.08595	3.0
85.02433	3.0
85.02911	57.9
85.06546	10.3
90.36065	1.4
95.08594	6.4
97.02895	100.0
97.10173	12.0
99.08099	1.7
105.07047	2.5
107.08594	25.5
108.08152	1.6
109.10151	12.8
115.03931	48.1
115.26842	1.4
119.08592	3.6
121.10139	5.5
123.11732	6.5
125.09628	37.0
127.03882	3.1
127.11171	5.9
128.32092	1.6
131.08562	2.7
133.10126	2.0
141.12738	6.0
143.08511	1.6
143.10681	73.1
144.83136	1.6
145.10104	3.6
147.11725	7.1
153.36612	1.4
155.08481	1.7
157.04950	56.8
157.10187	2.3
159.11697	7.1
161.13277	2.1
163.31630	1.5
171.11630	2.2
173.01836	1.7
173.13318	3.1
175.14775	2.4
177.66066	1.5
183.11656	1.6
185.13264	3.3
187.14861	3.0
201.03923	2.1
242.94398	1.5
251.17867	1.9
261.06052	50.7
297.22092	1.9
419.33118	9.6
437.33957	14.9
455.35309	11.2
473.35889	2.5
498.82214	1.7
627.00323	1.8
697.38861	3.3
715.41162	3.1
733.43170	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	734.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73997	0.7
55.01863	0.8
55.05524	3.4
63.77232	0.7
65.43712	0.7
67.05521	11.0
69.03410	6.7
69.07066	7.0
71.04968	0.8
77.14998	0.8
79.05495	5.4
81.03370	1.2
81.06611	1.6
81.07061	27.1
83.04996	2.1
83.08606	1.8
85.02903	11.0
85.06567	0.9
87.00813	1.2
91.05464	1.5
93.07037	6.1
94.82698	0.9
95.04948	1.0
95.08582	11.3
97.02896	3.5
97.06509	1.1
97.10165	1.1
99.04465	0.9
99.08096	4.3
105.01862	3.6
105.07021	7.2
107.04945	0.9
107.08585	17.5
109.02899	1.4
109.06533	3.9
109.10155	45.0
111.08073	1.5
119.08578	16.2
121.06492	2.0
121.10146	10.0
123.08092	3.2
123.11697	2.1
125.09624	1.7
127.03893	11.5
131.08557	4.0
133.06470	2.2
133.10123	12.9
135.08047	23.1
135.11690	4.4
137.09628	8.9
137.13232	1.0
139.00027	1.1
143.08557	4.3
143.97180	0.9
145.04970	4.4
145.10138	8.9
147.08026	3.1
147.11676	12.5
149.05914	1.5
149.09619	6.2
149.13290	3.1
157.10109	8.3
159.08005	3.8
159.11650	11.0
161.09607	8.8
161.13304	6.1
163.11160	1.3
163.14853	1.4
169.10136	3.2
171.11636	3.8
173.09633	4.4
173.13190	7.5
175.11174	5.9
175.14784	15.0
177.16440	1.4
181.10052	1.2
183.11671	4.3
185.09619	4.4
185.13222	12.1
187.11183	6.3
187.14810	4.3
189.12775	3.9
189.16370	1.4
194.10945	0.9
195.11739	1.7
197.13293	4.5
199.11148	4.0
199.14828	5.5
201.12689	7.7
203.14273	12.0
205.16055	1.1
209.13252	1.2
211.14803	1.6
213.12755	1.6
213.16342	4.0
215.14307	8.1
215.18196	1.3
217.15703	1.0
221.13290	1.0
223.14682	1.3
225.12595	1.4
225.16333	1.3
227.14281	6.3
227.17888	1.3
229.15819	1.6
231.17575	1.4
233.15364	1.4
235.14758	1.5
239.14214	1.3
239.17769	1.0
241.15800	6.1
245.15286	1.1
249.06053	4.9
253.15839	3.6
255.17516	2.1
257.15350	1.3
257.18665	1.1
261.16354	1.0
267.17371	1.1
283.16907	2.1
285.18518	1.7
295.20651	1.9
300.12338	0.9
307.20569	4.3
309.22134	1.0
324.44147	0.9
333.22098	1.0
337.39847	0.9
349.25211	1.7
351.23105	1.7
353.25034	2.6
365.24557	1.5
375.26804	1.5
377.24677	3.2
391.25699	1.1
395.25461	1.6
415.29926	10.7
433.30981	60.5
451.32050	100.0
663.34705	1.2
681.36328	1.6
699.37848	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	734.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	0.9
67.05511	5.8
69.03432	2.3
69.07074	5.0
79.05518	0.8
81.03416	0.7
81.07055	5.5
83.04986	1.1
83.08642	1.1
84.81126	0.5
85.02898	4.0
85.06497	0.5
87.00816	1.1
92.21500	0.7
93.07056	2.5
95.04957	1.0
95.08625	6.2
97.02888	2.4
97.10158	0.6
99.04492	0.5
103.82309	0.5
103.85229	0.4
105.01879	2.1
105.07044	2.8
107.08591	6.5
109.02852	0.8
109.06527	3.7
109.10162	25.3
111.08078	1.3
113.09673	0.8
119.08575	5.4
121.06493	1.1
121.10142	8.1
123.08077	2.7
123.11713	3.3
125.09637	0.9
127.03866	3.9
131.08559	2.1
133.10118	3.6
135.08066	3.9
135.11716	2.5
137.09660	2.1
142.92920	0.5
143.08583	1.1
145.05011	1.0
145.10130	4.6
147.08075	1.1
147.11696	5.0
149.09631	2.9
149.13220	1.2
151.07579	0.5
151.11171	2.3
157.10123	3.1
159.08011	0.7
159.11639	4.3
161.09637	3.2
161.13295	2.3
163.11200	2.7
165.09174	1.0
165.12752	2.0
169.10120	1.1
171.11731	5.3
173.09657	2.2
173.13232	3.8
175.11198	4.9
177.12810	2.0
181.10139	0.9
183.11710	2.4
185.09628	0.9
185.13261	4.3
187.11212	3.6
187.14761	1.2
189.12747	2.8
191.10719	2.0
195.11679	1.2
197.13319	2.9
197.50581	0.5
199.11172	6.5
199.14845	1.3
201.12747	2.9
201.16396	1.2
203.14276	0.7
209.13284	1.0
211.14824	2.3
213.12782	3.5
213.16290	0.7
215.14359	2.2
217.15852	0.6
221.13226	1.9
223.11253	0.7
223.14882	2.6
225.12791	2.5
225.16409	2.4
227.14395	2.8
227.17920	0.5
229.15894	2.7
231.04996	0.9
235.14850	1.3
237.12711	0.7
237.16411	0.7
239.14304	3.8
239.18074	2.3
241.15895	2.9
243.17479	2.8
247.14720	0.7
249.06003	0.8
251.14487	0.8
251.17766	0.7
253.15881	3.8
255.17488	2.4
259.16876	5.0
263.18033	0.7
265.15952	0.7
265.19293	0.5
267.17462	2.8
269.19119	0.8
273.18552	0.8
277.15829	0.8
281.19043	2.5
283.20493	0.7
285.18567	2.2
287.20123	0.7
293.19363	0.9
295.20767	0.8
307.20694	1.1
309.22202	1.0
311.19751	0.7
313.21625	2.2
323.23694	1.8
333.22156	2.9
335.23770	2.5
347.23880	0.7
351.23178	8.4
359.23569	0.9
363.22916	0.7
363.27020	2.6
365.24692	4.5
369.24167	2.0
377.24533	4.7
381.27893	3.0
383.25885	0.8
391.30176	0.6
395.25729	1.0
415.29883	1.2
433.30954	13.0
451.32077	100.0
504.76752	0.5
610.36285	0.6
734.41119	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	734.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36757	2.2
55.05511	4.8
57.18941	2.0
59.82719	1.9
65.24872	2.2
67.05506	22.6
69.03427	5.6
69.07066	12.7
71.04980	2.4
73.55629	2.4
77.24303	2.2
77.32264	2.2
79.05500	4.1
79.83421	2.2
81.03432	4.2
81.07057	25.4
83.04983	4.3
83.08625	2.5
85.02914	4.0
87.00819	3.7
87.10319	2.4
91.05500	4.7
92.20959	3.2
92.21494	3.5
93.07041	14.4
95.08610	32.6
97.02885	4.6
97.06540	3.0
99.04462	2.8
105.07044	12.2
107.08595	27.5
109.06538	5.9
109.10153	61.3
111.08058	3.6
119.08575	19.2
121.06445	3.6
121.10129	17.4
123.08029	5.8
123.11703	3.3
127.03957	10.3
131.08588	11.3
133.10117	14.3
135.08035	6.4
135.11723	11.7
143.08534	3.7
145.04958	2.7
145.10149	12.2
147.08090	10.2
147.11703	15.0
149.09612	10.9
151.14801	3.3
155.08522	2.8
157.10115	11.9
159.02905	4.0
159.11674	21.8
161.09607	5.6
161.13237	12.0
163.07591	10.5
163.11145	4.3
163.14803	3.3
169.10080	2.7
171.11697	16.1
173.09581	11.2
173.13271	14.3
175.11188	3.2
179.14343	3.4
183.11711	6.3
185.13264	5.5
187.11186	6.4
187.14871	4.6
189.12759	5.6
191.14351	9.9
195.11731	3.5
197.13159	4.1
199.14711	4.4
207.11598	2.6
209.13271	5.5
211.14867	4.4
223.14798	5.9
225.16278	5.4
227.13951	2.5
229.15883	9.8
235.14935	2.9
243.17377	5.4
247.14853	2.9
249.05933	3.7
253.15691	5.0
271.16901	5.6
295.20529	3.1
297.21988	2.9
307.20529	3.0
315.64209	2.6
335.23615	5.0
351.22928	4.4
353.24716	3.3
369.24106	5.7
377.24658	11.7
393.27939	10.7
405.31598	3.5
415.29800	22.1
433.31033	100.0
451.31989	76.5
681.35162	3.7
734.40472	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	734.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	4.6
57.06820	1.1
57.07083	16.9
62.47855	0.6
65.05293	0.6
69.03428	0.6
78.41617	0.6
79.85195	0.8
81.07035	1.1
82.41506	0.6
93.07056	0.9
99.48138	0.6
105.37519	0.7
111.07962	0.8
113.74712	0.6
114.78069	0.6
121.10120	0.8
149.02342	100.0
156.13808	0.7
161.06029	1.3
161.13185	0.6
175.07556	7.2
203.07076	3.6
205.08583	3.7
221.08054	1.0
227.71848	0.7
235.65402	0.7
238.11600	0.6
277.14328	25.4
294.32629	0.7
295.15372	8.1
326.73166	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.4
56.30350	1.5
57.03444	10.5
57.06824	2.1
57.07086	36.4
63.91693	1.5
67.05507	22.3
68.56992	1.5
69.07079	16.8
69.07381	1.8
71.08631	26.9
73.02941	1.7
74.68449	1.9
79.05484	9.2
81.06612	3.1
81.07063	68.8
82.68468	1.6
83.04997	3.9
83.08615	17.1
85.02917	3.0
85.06557	2.7
85.10188	19.9
89.06004	2.3
89.06556	1.6
91.05499	12.6
92.21498	2.5
93.07027	2.7
95.08611	29.0
97.06519	3.4
97.10172	9.2
99.08089	2.6
99.19877	1.7
105.07040	25.9
107.08575	11.0
109.06489	3.1
109.10178	16.7
119.08571	21.1
121.10148	23.6
121.95685	1.6
123.08062	2.7
123.11706	44.6
127.07597	2.7
137.13277	7.7
141.01828	3.6
141.09103	1.8
147.11688	100.0
157.10127	2.0
165.12746	39.6
175.11166	4.1
177.36287	1.8
229.14183	2.5
239.23779	2.0
257.24823	2.6
267.15906	81.9
285.16962	78.6
309.23926	1.9
313.27356	86.4
331.28363	3.0
475.81485	2.0
523.39923	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	735.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05547	1.1
60.05642	1.2
63.18622	1.1
70.06589	2.6
79.75083	1.5
81.93807	1.3
84.26781	1.4
97.02908	24.5
111.05567	2.7
132.04453	2.9
142.52649	1.4
208.40033	1.4
216.11391	1.5
230.09294	6.8
242.09332	1.8
248.09254	1.4
259.11890	96.0
277.12939	27.5
284.11414	6.5
302.12457	48.2
319.14975	2.9
373.15094	14.0
380.13171	2.4
391.16199	24.9
398.14618	2.6
433.18170	2.5
473.42526	1.6
553.21509	3.0
595.23749	3.1
735.28241	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
55.01904	1.7
55.05512	3.1
59.51028	1.4
61.12547	1.4
67.05513	16.7
69.03425	9.5
69.07077	14.8
70.06567	2.1
71.04992	3.3
79.05502	3.1
81.03417	10.8
81.07066	32.1
83.08618	2.8
85.02899	30.2
85.06528	1.9
87.00809	11.6
91.05487	7.2
93.07030	19.3
95.08607	30.6
97.02890	10.4
99.04449	4.4
99.08060	2.1
104.32636	1.7
105.01853	7.8
105.07041	14.8
107.08582	19.1
109.02876	11.8
109.06489	2.9
109.09425	3.3
109.10156	66.2
117.07007	2.5
119.08580	40.5
121.06468	3.2
121.10130	23.7
123.08053	4.0
123.11719	9.5
127.03905	16.0
127.11206	9.2
129.06966	3.8
131.08577	10.5
133.10132	19.7
135.08073	2.7
135.11690	9.4
137.09645	2.1
143.08577	3.7
145.05005	2.4
145.10121	28.6
147.04362	1.8
147.08003	2.5
147.11696	13.6
147.59993	1.7
149.13240	3.0
155.08522	4.3
157.10132	13.1
159.02908	4.1
159.07959	3.9
159.11694	17.4
161.13254	9.2
163.11165	2.4
165.12642	2.1
166.88503	1.6
167.87535	1.6
169.10143	15.7
170.10808	2.1
171.08034	2.6
171.11674	17.0
173.09618	7.4
173.13249	13.9
175.11209	3.1
175.14807	8.0
181.10181	3.1
183.11681	10.5
185.09679	2.5
185.13284	15.9
187.11259	5.9
187.14799	13.5
189.12840	2.8
189.16292	2.2
193.10127	2.0
195.11707	7.6
197.13274	9.6
199.14880	3.6
201.16466	2.5
207.11699	4.1
209.13264	9.2
211.11034	2.2
211.14888	6.5
213.12791	2.5
213.16559	2.8
215.14217	2.3
221.13144	2.2
223.14816	8.6
225.16397	7.5
227.14354	3.4
229.15884	2.3
237.16408	8.4
239.17952	7.7
241.15778	3.6
245.15442	2.1
247.14839	2.2
249.16356	4.2
251.17905	4.3
253.15924	2.1
253.19412	2.7
263.17987	3.4
265.15829	2.3
265.19287	2.3
275.18112	5.9
281.19077	4.0
291.21014	2.7
293.18878	4.2
295.20486	3.2
303.21179	4.2
306.99976	1.8
307.24023	2.0
321.21851	3.5
333.22095	2.3
351.23099	2.8
369.24033	6.1
385.28915	3.3
387.30432	3.1
395.25772	3.2
403.29901	17.0
405.31503	7.7
406.88913	2.1
413.27133	1.9
415.29877	11.0
421.30884	12.1
433.30988	59.3
451.32043	100.0
469.33240	25.4
480.00247	1.9
646.90576	2.2
681.36182	11.6
699.37329	53.3
717.38000	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	735.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	2.9
55.74100	2.4
57.07059	2.4
57.81924	2.4
67.05521	27.0
69.03429	12.2
69.07076	18.2
71.04997	4.8
79.05498	7.1
81.03423	13.3
81.07067	36.9
81.97343	2.6
83.04978	4.2
85.02911	32.2
87.00813	5.5
91.05469	4.4
93.07032	15.3
95.08612	31.9
97.02898	11.2
99.04477	3.6
99.08120	6.2
105.01878	7.0
105.07035	15.0
107.08591	24.3
109.02869	16.0
109.10161	67.3
119.08575	37.7
121.10171	22.8
123.08077	4.0
127.03910	15.3
127.11169	6.3
131.08554	12.5
133.10150	21.4
135.11752	4.4
143.08565	15.4
145.10159	31.8
147.11681	14.6
149.13281	4.9
155.08658	4.8
157.10136	16.8
159.02922	3.6
159.07950	3.6
159.11703	18.5
161.09645	3.5
161.13235	16.7
169.10114	19.1
171.08026	3.9
171.11694	17.8
173.09645	3.5
173.13278	16.5
175.14874	6.4
181.10086	3.5
183.11691	10.7
185.09770	3.6
185.13240	16.7
187.11108	4.1
187.14833	13.3
195.11694	11.3
197.13249	12.2
201.16312	3.7
209.13197	15.6
211.14732	4.2
213.12709	3.2
213.16333	5.0
221.13318	12.9
223.14735	5.0
225.16393	3.9
227.14375	4.0
233.13206	4.1
237.16393	10.9
239.14305	4.6
239.17955	7.1
251.18004	5.7
263.17963	7.2
267.17313	4.4
277.19443	4.2
281.19028	6.6
321.22195	4.4
351.23303	3.5
395.25958	3.3
403.29739	21.7
415.29892	17.2
421.31052	16.9
433.30948	69.0
451.31955	100.0
469.33408	22.9
681.35840	4.6
699.37183	49.9
717.38367	4.8
724.99994	3.7
754.98468	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	736.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79304	0.4
67.16899	0.4
69.03446	0.6
70.06600	3.8
71.23284	0.5
71.70571	0.4
72.08149	1.1
84.08140	3.5
85.02915	1.1
86.09708	2.0
91.05489	2.2
92.21489	0.6
119.04925	2.9
120.08131	0.6
122.03672	0.7
122.78745	0.5
129.06979	0.7
129.10275	3.9
131.04935	1.9
131.08594	2.1
133.02867	3.8
133.06535	0.6
137.05983	41.0
147.04411	4.7
149.05963	2.7
151.03899	4.4
151.07553	5.1
157.06380	0.7
157.40553	0.5
159.08035	3.9
161.05959	5.4
161.09633	0.8
163.07559	2.1
171.08078	2.0
173.09648	0.6
174.06734	0.8
175.07521	7.1
177.05435	0.8
179.07100	0.7
183.08147	0.5
186.06750	0.6
187.07584	5.4
189.09108	7.1
191.07050	1.0
195.08034	0.5
197.09590	0.8
198.06673	1.2
199.07593	2.9
200.08292	0.7
201.09154	4.5
205.08527	0.7
209.09290	0.7
210.54495	0.6
212.08372	0.6
213.09091	12.5
215.10684	4.7
217.08630	2.1
219.10124	7.2
225.09033	5.3
227.10747	0.6
229.08502	1.2
231.10011	1.7
243.10106	15.4
245.11752	1.0
255.10220	2.3
257.09702	0.6
259.09625	0.7
261.11203	1.9
263.10416	0.8
266.69821	0.7
273.11215	27.2
275.10492	0.6
277.12259	0.8
279.10168	1.1
285.09039	1.1
289.12033	1.1
291.10236	2.8
293.07748	0.6
295.09753	0.6
303.10257	0.8
305.11575	1.3
307.09723	2.0
308.10147	0.8
309.11188	1.1
317.11719	2.3
318.12506	0.7
319.09735	0.8
319.13333	0.7
320.10190	0.9
320.13974	0.6
321.11203	2.6
323.12799	0.8
325.14319	0.7
332.73129	0.6
333.11014	0.9
334.12076	0.9
335.12802	2.6
336.13626	0.6
339.12106	1.3
341.13800	2.3
347.13055	0.5
349.14392	3.7
351.12158	0.8
353.13770	1.3
354.14639	3.8
361.14288	0.8
367.15359	14.0
379.15329	7.2
385.16275	2.4
393.17117	0.7
397.16437	100.0
415.17352	6.4
472.57135	0.6
554.50964	0.6
559.21729	0.6
736.38867	3.2
736.72668	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	736.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79304	0.4
67.16899	0.4
69.03446	0.6
70.06600	3.8
71.23284	0.5
71.70571	0.4
72.08149	1.1
84.08140	3.5
85.02915	1.1
86.09708	2.0
91.05489	2.2
92.21489	0.6
119.04925	2.9
120.08131	0.6
122.03672	0.7
122.78745	0.5
129.06979	0.7
129.10275	3.9
131.04935	1.9
131.08594	2.1
133.02867	3.8
133.06535	0.6
137.05983	41.0
147.04411	4.7
149.05963	2.7
151.03899	4.4
151.07553	5.1
157.06380	0.7
157.40553	0.5
159.08035	3.9
161.05959	5.4
161.09633	0.8
163.07559	2.1
171.08078	2.0
173.09648	0.6
174.06734	0.8
175.07521	7.1
177.05435	0.8
179.07100	0.7
183.08147	0.5
186.06750	0.6
187.07584	5.4
189.09108	7.1
191.07050	1.0
195.08034	0.5
197.09590	0.8
198.06673	1.2
199.07593	2.9
200.08292	0.7
201.09154	4.5
205.08527	0.7
209.09290	0.7
210.54495	0.6
212.08372	0.6
213.09091	12.5
215.10684	4.7
217.08630	2.1
219.10124	7.2
225.09033	5.3
227.10747	0.6
229.08502	1.2
231.10011	1.7
243.10106	15.4
245.11752	1.0
255.10220	2.3
257.09702	0.6
259.09625	0.7
261.11203	1.9
263.10416	0.8
266.69821	0.7
273.11215	27.2
275.10492	0.6
277.12259	0.8
279.10168	1.1
285.09039	1.1
289.12033	1.1
291.10236	2.8
293.07748	0.6
295.09753	0.6
303.10257	0.8
305.11575	1.3
307.09723	2.0
308.10147	0.8
309.11188	1.1
317.11719	2.3
318.12506	0.7
319.09735	0.8
319.13333	0.7
320.10190	0.9
320.13974	0.6
321.11203	2.6
323.12799	0.8
325.14319	0.7
332.73129	0.6
333.11014	0.9
334.12076	0.9
335.12802	2.6
336.13626	0.6
339.12106	1.3
341.13800	2.3
347.13055	0.5
349.14392	3.7
351.12158	0.8
353.13770	1.3
354.14639	3.8
361.14288	0.8
367.15359	14.0
379.15329	7.2
385.16275	2.4
393.17117	0.7
397.16437	100.0
415.17352	6.4
472.57135	0.6
554.50964	0.6
559.21729	0.6
736.38867	3.2
736.72668	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	736.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	2.0
57.07072	1.2
62.02210	1.1
67.05504	10.0
69.03417	5.2
69.07075	7.7
79.05493	1.7
81.07076	7.0
85.02896	5.8
91.05494	1.9
92.21510	2.5
93.07039	7.6
95.04970	1.7
95.08604	14.8
97.02888	1.4
105.07018	2.5
107.08600	11.4
109.02916	2.0
109.06561	1.6
109.10162	47.3
111.08056	7.1
119.08572	10.3
121.10131	7.6
123.08089	1.5
123.11697	8.3
127.03905	5.9
131.08575	2.6
133.10097	11.2
135.08073	2.6
141.96672	1.3
143.08588	3.1
145.10139	16.9
147.08034	1.4
147.11684	8.4
149.13203	1.9
157.10144	18.5
159.11678	8.0
160.98648	1.3
161.09605	2.3
161.13290	2.2
163.11217	1.9
169.10123	8.8
171.11702	9.9
173.13255	5.7
175.11234	1.9
175.14752	1.7
181.10139	1.5
183.11700	7.5
185.13292	5.8
187.14810	3.3
195.11690	9.0
197.13255	6.5
199.14729	3.3
203.14392	1.4
209.13206	9.0
211.14819	3.0
213.16449	1.7
221.13307	2.0
223.14799	3.3
225.16391	7.1
232.89548	1.5
235.14839	2.4
237.16359	1.7
241.19551	2.0
243.17419	3.3
251.17999	11.2
269.18988	16.7
287.19861	2.0
312.49377	1.4
337.21637	1.4
365.28259	1.5
417.31586	11.1
435.32651	40.1
453.33640	100.0
571.74304	1.3
581.40204	1.6
736.43048	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	736.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	3.2
67.05513	19.7
69.07070	12.0
77.77000	2.2
79.05476	2.4
80.77867	2.2
81.07070	26.1
83.08631	5.1
85.02897	6.5
91.05497	4.2
93.07024	15.3
95.08602	21.6
97.10143	2.9
99.08096	4.3
105.07047	16.2
107.08597	27.6
107.11921	3.0
109.06602	2.9
109.10152	60.3
111.08075	4.1
119.08568	28.2
121.10161	27.1
123.08041	5.4
123.11710	4.9
127.03917	4.2
131.08627	6.0
133.10129	23.9
135.08031	10.2
135.11742	11.3
137.55792	2.6
143.08617	3.4
145.10106	22.1
147.11690	21.5
149.09615	4.4
149.13341	2.7
155.08482	3.5
157.10133	13.2
159.11700	22.4
161.13248	11.4
169.10138	3.5
171.11705	15.7
173.13280	10.8
175.11276	3.6
175.14835	19.1
183.11690	11.8
185.13254	19.7
187.11101	2.9
187.14819	12.6
197.13246	10.9
199.14807	4.5
209.13263	3.2
211.14827	6.3
213.16342	5.0
218.43224	2.8
223.14850	3.0
225.16415	11.2
227.18115	3.3
231.17285	3.1
235.14767	3.1
237.16280	3.4
239.17941	5.2
243.17493	3.4
249.16405	3.3
251.17931	5.0
267.17358	3.6
269.19110	4.6
279.20862	3.9
294.40363	2.9
309.22067	4.2
361.25113	3.4
365.59167	2.8
379.26495	3.2
399.30438	11.2
417.31470	44.9
435.32593	100.0
453.33643	55.7
455.74167	2.8
622.05945	2.9
697.72180	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	736.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31113	1.5
55.05513	1.8
56.79395	1.5
66.41524	1.5
66.61646	1.4
67.05512	19.3
69.03444	3.3
69.07069	11.5
71.08643	1.9
79.05508	4.0
81.03394	3.5
81.07062	29.6
83.04983	2.9
83.08630	7.7
85.02913	10.8
85.06555	2.7
87.00815	3.4
91.05476	2.7
93.07040	14.4
95.08614	26.2
97.02924	3.2
97.06561	2.0
99.08101	9.7
105.01868	4.3
105.07038	12.1
107.08590	26.6
109.02858	2.7
109.10160	66.8
111.08051	2.1
119.08582	28.1
121.10159	19.9
123.08022	3.7
127.03920	8.1
131.08546	4.0
133.10136	20.1
135.08066	4.3
135.11682	8.3
137.09651	2.6
143.08595	3.5
145.10159	10.7
147.11693	19.5
149.09610	10.0
149.13248	4.1
151.11226	2.3
157.10129	8.6
159.11670	18.2
161.09605	4.1
161.13205	13.2
163.11186	3.2
167.14244	3.0
169.10176	2.0
171.11646	12.5
173.13246	15.3
175.11342	2.3
175.14812	35.0
178.80479	1.8
183.11681	4.3
185.13220	9.0
187.14819	2.6
189.12671	2.3
191.14334	2.4
195.11755	2.2
197.13211	7.8
199.14748	3.9
201.12772	4.3
203.14299	3.6
209.13353	4.0
211.14900	4.1
213.12796	3.7
213.16394	4.0
215.14394	2.0
217.15948	2.0
221.13318	2.2
223.14842	2.8
225.16394	9.6
227.17952	3.1
231.17383	3.4
235.14764	2.1
237.16354	2.8
239.17955	2.9
243.17398	12.4
255.17357	4.1
257.18961	4.1
269.19073	3.8
279.21115	2.9
283.20660	2.2
285.18451	3.8
287.20026	7.9
297.22116	8.0
309.22137	12.9
309.25790	1.9
321.25677	2.0
335.23404	2.8
351.27017	6.6
361.25082	7.7
379.26123	3.5
397.27197	7.2
417.31497	25.2
435.32596	95.1
453.33621	100.0
555.59125	2.1
665.36749	3.4
683.37683	8.4
701.38818	7.8
736.41937	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	737.329
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71829	1.0
63.47521	0.9
65.09048	0.8
108.25650	1.0
131.62440	1.1
144.90366	0.9
152.91963	1.1
159.89539	0.9
190.04979	1.1
299.54089	1.1
391.95209	1.2
429.20215	1.2
442.80405	1.2
444.23001	5.4
458.24887	7.8
459.21597	6.5
472.22644	8.4
473.23605	2.1
476.22061	1.5
485.23401	18.4
486.24695	2.3
499.20688	1.1
500.22055	1.8
503.24460	1.8
513.22760	2.0
514.23596	1.2
517.25812	12.6
519.23322	1.3
545.25470	88.3
573.24957	23.4
605.27570	100.0
719.26337	1.9
737.27783	1.4
746.71362	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	737.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	2.3
55.08570	1.3
58.25029	1.6
59.05003	1.5
67.05510	3.4
69.03436	2.4
69.07061	6.9
71.04985	11.5
79.05511	2.2
81.07042	8.3
82.04633	1.7
83.08631	2.0
85.02916	6.6
87.00812	2.3
93.07051	8.4
95.08592	16.1
97.06488	1.8
99.04441	1.6
105.07027	6.7
107.08614	17.7
109.10161	18.3
119.08580	100.0
121.10128	19.9
123.11693	8.7
125.09557	5.5
127.03921	3.0
127.11189	29.5
131.08548	2.5
133.10130	13.5
135.08009	2.6
135.11723	11.1
137.13289	2.2
143.08556	3.5
145.10121	12.2
147.07965	2.8
147.11693	12.1
149.13269	3.1
157.10135	9.4
159.11707	19.3
161.13263	7.8
162.71613	1.7
169.10078	7.0
171.11665	22.1
173.13216	11.0
175.14784	1.5
183.11719	8.8
185.13252	9.3
187.11185	2.9
187.14900	3.1
189.12741	3.1
197.13246	8.7
199.14822	7.1
201.12717	5.9
201.16393	2.9
202.68839	1.6
209.13190	6.9
211.14798	6.2
215.14279	2.4
215.17940	5.9
223.14784	2.7
225.16426	12.1
227.17822	1.9
237.16313	2.6
239.17812	2.7
249.16484	6.6
251.18037	2.2
267.17325	3.4
278.59308	1.8
291.21054	1.7
303.68021	1.7
322.02338	2.0
391.29739	1.8
417.31287	14.5
435.32602	45.6
443.31491	2.3
451.49698	1.7
453.33539	51.5
454.33813	2.1
471.34671	69.5
472.35184	3.3
489.35703	79.8
597.19702	1.7
683.36755	2.0
687.34326	1.7
688.12952	1.9
701.38556	9.8
719.39990	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	737.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.7
55.01860	2.9
55.05510	9.9
57.03436	2.6
57.07061	2.2
58.79572	1.8
60.23796	2.1
62.96692	2.4
67.05511	25.2
69.03427	18.6
69.07072	20.4
71.04986	14.8
79.05499	8.7
81.03418	16.3
81.07061	38.9
81.25826	1.9
83.08623	5.1
83.94259	2.1
85.02897	33.3
87.00814	16.5
91.05467	8.4
93.07044	20.3
95.08597	43.5
97.02885	17.0
97.06496	2.4
97.10172	3.9
97.44808	2.2
98.01376	2.4
99.04435	5.2
99.08077	3.3
103.03986	2.0
105.01865	13.8
105.07048	16.3
107.08579	30.5
109.02894	20.9
109.06506	7.9
109.09440	3.9
109.10155	89.0
111.11713	2.6
117.01720	3.0
117.07026	2.5
119.08601	24.9
121.06483	3.8
121.10136	27.0
123.08096	3.6
123.11714	16.8
125.09654	3.5
127.03921	34.4
127.11209	21.3
129.01857	2.9
129.07004	2.5
131.08577	15.9
133.10150	19.2
135.08046	3.3
135.11676	27.8
142.07895	2.3
143.08560	12.7
144.82048	2.6
145.04938	10.2
145.10112	27.9
147.11684	18.9
149.13255	9.7
151.11336	2.0
155.07388	2.1
155.08585	8.8
157.10152	16.2
158.10822	2.5
159.02869	13.4
159.11705	19.9
161.09663	2.9
161.13268	16.3
169.10085	13.4
171.11644	20.7
173.09612	10.0
173.13240	14.7
175.14784	11.8
181.10136	4.0
183.11671	14.9
185.09514	3.3
185.13231	14.7
187.11203	2.8
187.14830	14.7
189.16290	4.1
195.11705	10.7
197.13168	15.4
199.11165	3.0
199.14734	8.6
201.16360	4.0
209.13229	12.5
211.11287	2.7
211.14777	10.1
213.16313	3.7
215.14323	2.9
221.13275	4.5
223.14839	8.9
225.16316	12.4
227.14346	2.7
227.17917	4.5
229.15790	4.3
231.05038	3.0
235.14774	4.0
237.16306	11.9
239.17989	8.7
241.15973	3.6
241.19443	3.0
249.16319	3.9
251.17874	8.9
253.19557	4.2
261.16495	2.4
263.17987	2.8
265.19492	14.1
267.17627	3.3
267.20898	3.2
269.18716	6.9
272.00632	2.2
277.19424	2.6
278.20187	2.3
279.21008	12.7
281.19031	3.4
283.20459	5.0
284.07425	2.8
295.20581	5.0
297.22171	3.6
305.22620	9.0
307.24219	3.0
309.22150	4.9
315.23828	2.5
323.23471	3.6
327.23260	2.9
331.24109	4.2
335.23608	3.8
349.25110	4.6
351.26767	3.0
353.24881	4.1
361.24869	2.4
371.25717	3.2
387.30374	13.8
389.31949	8.8
391.29587	2.6
395.80603	2.5
397.27136	4.8
399.30359	2.9
405.31580	35.9
407.32681	8.1
417.31512	30.4
423.32465	18.3
435.32559	96.1
453.33640	100.0
471.34531	10.4
619.30713	3.7
653.36517	3.1
665.36670	3.9
671.37714	15.3
683.37463	22.4
689.38654	9.2
701.38989	52.1
719.40558	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	738.442
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	26.3
69.07063	11.6
72.90974	4.1
77.57828	5.1
78.96922	5.5
81.03443	6.0
81.07066	36.8
85.02900	8.6
85.15970	4.3
91.05466	6.5
92.20970	4.9
93.07063	22.7
95.08630	47.1
99.04433	5.0
101.89623	5.6
105.07055	21.6
107.08606	43.8
109.02886	6.1
109.06522	6.9
109.10158	85.9
117.07056	8.0
119.08604	30.9
120.54107	5.3
121.10140	28.6
123.08072	7.8
123.11706	12.3
127.03986	12.1
131.08490	4.7
133.10126	19.0
135.11703	8.4
143.08549	6.8
145.10146	27.1
147.11722	8.1
149.13252	7.6
157.10109	27.7
159.11703	10.3
161.13274	9.9
169.10152	5.5
171.11659	9.7
173.13174	19.1
183.11739	7.0
185.13319	18.2
187.14819	7.7
195.11728	7.9
197.13185	9.7
199.14816	20.2
211.14764	8.5
225.16499	8.3
225.19890	5.2
255.17542	7.3
274.40936	5.3
291.20944	5.7
401.32001	22.6
415.07635	5.6
419.33191	100.0
437.34198	76.0
486.13745	6.1
570.47308	5.2
667.38434	20.2
685.38989	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	738.442
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76689	0.7
55.05541	0.9
67.05507	3.7
69.03408	1.1
69.07081	4.2
75.77518	0.7
79.05505	1.6
81.07058	7.3
85.02897	3.4
91.05482	1.1
93.07049	1.3
95.08601	14.1
105.07048	8.7
107.08623	6.9
108.82735	0.9
109.10156	19.8
119.05009	1.2
119.08571	9.8
121.10115	7.2
123.11679	3.1
127.03927	2.9
131.08585	4.3
133.06477	1.4
133.10132	10.9
135.08055	51.7
135.11716	3.8
143.08572	1.6
145.10133	9.1
147.11696	10.8
149.13251	2.0
157.10127	1.9
159.11690	5.2
161.09607	1.4
161.13286	6.2
171.11673	1.5
173.13237	4.0
175.11176	1.3
175.14801	3.6
177.16397	1.4
185.13318	1.9
187.11160	1.3
187.14827	16.7
189.16362	12.0
197.13361	1.0
199.14787	3.5
201.16396	0.9
203.17987	1.4
211.14835	1.3
213.16298	3.2
215.14494	0.9
217.15872	62.2
253.19435	1.6
257.92880	0.8
259.17032	0.9
269.18951	1.3
279.21063	1.2
289.00677	0.8
311.23712	0.9
319.23874	1.0
327.23273	1.6
348.94055	0.8
355.26263	7.7
401.31839	1.3
419.33023	11.4
437.34143	100.0
455.34741	4.5
605.36627	0.9
667.37970	1.6
685.39569	3.8
703.39886	3.2
738.43500	1.2
746.73669	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	738.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.6
55.01874	2.1
55.05518	3.8
57.07065	2.1
67.05514	26.7
69.03436	12.7
69.03745	1.4
69.07070	11.9
79.05497	3.8
81.03417	13.3
81.07068	32.8
83.05014	2.5
83.08617	3.6
85.02906	27.7
85.06549	2.0
87.00851	12.0
89.65405	1.6
91.05459	6.5
93.07074	13.1
95.08618	22.8
97.02908	12.7
97.10178	2.7
99.04453	7.8
99.08109	9.9
105.01862	11.6
105.07045	9.2
107.08594	27.7
109.02903	15.6
109.06481	2.4
109.10161	100.0
119.08596	24.6
121.10126	19.1
123.08111	1.9
123.11704	9.2
125.09613	2.7
127.03915	26.0
129.01813	2.4
131.08597	7.2
133.10150	21.4
135.08083	2.7
135.11714	15.0
137.09602	2.2
143.08505	3.0
145.04984	6.7
145.10130	15.0
147.11670	13.2
149.06038	2.3
149.09601	2.2
149.13271	6.7
151.11227	1.9
155.08603	2.0
157.10107	9.7
159.02901	10.4
159.11705	19.0
161.09686	1.7
161.13255	10.1
163.14825	2.4
169.10138	3.7
171.11697	3.9
173.13254	11.8
175.11281	2.3
175.14809	24.4
177.09200	2.4
177.16368	2.9
181.10042	2.5
183.11688	7.6
185.13274	7.6
187.14847	8.2
189.16371	5.8
195.11919	1.7
197.13280	3.4
199.14758	3.4
201.12851	1.8
201.16357	2.1
209.13293	2.5
211.14787	3.6
213.12706	1.9
213.16434	6.1
215.14307	9.8
215.17905	2.1
221.13286	2.0
223.14787	2.5
225.16339	9.0
227.17876	17.0
229.15965	2.2
229.19518	2.2
231.05026	2.7
233.15425	2.3
235.14674	1.9
239.17828	6.0
241.19490	7.5
243.17545	2.7
243.21095	2.9
245.18936	2.4
251.17976	3.2
253.19484	3.7
263.17923	2.0
267.21075	2.2
269.18997	10.2
271.20493	6.9
281.22403	5.1
285.22183	1.9
293.22647	6.3
311.23779	2.1
337.25195	2.9
339.27011	2.0
341.01898	1.9
363.26733	2.2
381.27396	1.6
401.32285	12.9
416.25745	1.7
419.33066	61.6
428.21198	1.8
436.26569	1.7
437.34171	80.2
455.35260	14.8
667.38684	14.3
685.39252	28.6
703.40485	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	738.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	6.1
57.07081	1.4
60.35333	0.7
67.05510	18.1
69.03432	3.6
69.07072	13.1
79.05499	6.4
81.03402	1.1
81.06618	1.4
81.07064	29.6
82.83821	0.7
83.04988	1.9
83.08620	9.2
85.02926	7.1
85.06553	4.0
87.00835	1.3
91.05477	4.3
93.07052	18.5
93.13722	0.7
95.04974	1.4
95.08609	31.3
97.02896	4.4
97.06546	1.7
97.10172	2.0
97.22020	0.8
99.04465	1.5
99.08082	8.1
99.33884	0.8
105.01867	3.2
105.07035	14.6
107.08589	30.5
109.02887	3.2
109.06541	3.8
109.10159	62.8
111.08111	2.9
117.07011	3.7
119.08574	33.3
121.06479	0.9
121.10148	28.0
123.08080	4.1
123.11714	8.6
125.09598	0.9
127.03902	5.8
131.08574	9.7
133.10135	25.5
135.08067	1.8
135.11688	9.7
137.09688	1.8
137.13257	1.6
143.08545	5.5
145.10123	16.3
147.11687	17.5
149.09599	7.1
149.13269	9.4
151.11102	1.2
151.14864	0.9
155.08525	3.6
156.09326	0.8
157.10127	10.1
159.02933	1.4
159.11688	19.3
161.09601	1.8
161.13246	13.4
163.11192	3.3
163.14777	1.6
169.10085	6.9
171.11705	13.4
173.09621	1.5
173.13257	14.1
175.11238	3.4
175.14824	35.2
177.12730	1.7
177.16379	4.5
179.14294	1.0
183.11665	7.8
185.13228	12.9
187.11168	1.6
187.14815	15.7
189.12691	2.0
189.16385	4.5
191.14359	1.5
195.11713	1.4
197.13264	7.2
199.11108	1.7
199.14784	8.4
201.12787	1.7
201.16389	4.0
203.14400	0.9
203.17920	1.7
209.13290	3.4
211.14832	7.9
213.12971	0.9
213.16388	10.0
215.17969	3.5
217.15807	1.0
223.14838	3.9
225.16370	8.4
227.17950	17.9
229.15913	1.2
229.19534	1.9
231.17424	2.0
237.16333	4.8
239.17825	7.4
241.15828	1.4
241.19479	8.2
243.17426	5.4
243.21107	1.8
245.19008	5.1
249.06010	3.8
251.17863	3.2
253.19614	7.5
255.17424	1.2
255.21169	2.0
257.18890	3.5
259.20602	3.9
261.18549	1.6
265.19565	2.0
267.17535	1.1
267.20831	2.7
269.19055	6.2
269.22134	1.0
271.20560	8.3
273.21851	0.9
277.19412	1.0
279.21039	1.8
281.22498	6.3
283.20459	1.3
285.22302	1.1
287.20126	3.3
289.21582	3.7
291.21152	3.1
293.22665	5.7
297.22021	4.1
299.23697	4.1
309.21973	1.9
311.23514	7.6
313.25110	0.9
319.24246	1.1
325.25357	1.1
335.27563	1.1
337.25079	1.9
339.26859	3.1
345.25793	1.4
349.28845	1.0
351.26694	1.7
353.28458	3.6
355.26242	3.3
363.26797	4.3
367.30005	1.4
369.27985	1.4
377.28046	1.4
379.29919	0.9
381.27686	4.5
393.31363	1.5
401.32025	8.2
419.33078	42.0
437.34149	100.0
455.35178	79.4
667.38068	4.5
685.39026	3.6
703.40302	3.0
748.35889	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	738.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92997	1.8
52.89042	1.7
55.05502	3.1
55.31280	1.8
62.73663	2.2
67.05499	14.6
69.03434	3.2
69.07063	15.5
79.05450	2.1
81.07053	25.1
83.08622	2.9
83.90877	2.3
85.02913	9.7
87.00829	2.5
91.05511	3.9
93.07037	11.9
95.08620	31.3
97.02885	4.0
97.10126	2.6
99.04463	2.9
105.07044	9.8
107.08588	23.2
109.02892	4.0
109.06525	3.4
109.10155	52.2
117.06961	2.5
119.08604	16.4
121.10125	18.4
123.11707	11.7
127.03854	3.7
131.08543	5.0
133.10138	18.4
135.11664	14.2
143.08577	5.7
145.04918	2.7
145.10104	14.6
147.11708	25.5
149.13257	14.3
157.10133	16.4
159.11732	16.3
161.13249	18.8
163.14772	3.3
169.10086	4.7
171.11702	12.6
173.13281	15.2
175.14786	8.4
177.16394	2.5
181.10080	3.4
183.11720	8.7
185.13272	13.2
187.14828	15.1
192.04555	2.5
195.11671	9.2
197.13324	9.9
199.14777	4.7
201.16399	5.4
203.17960	2.5
209.13210	10.3
211.14761	11.8
213.16396	4.9
223.14656	4.9
225.16380	11.4
227.17905	8.8
231.45799	3.1
236.56273	2.5
237.16507	3.2
239.17885	10.2
241.19414	3.8
251.18118	2.9
253.19452	4.2
265.19482	10.8
267.21069	3.1
279.21075	8.9
283.20520	3.4
285.21994	2.4
293.22556	5.0
323.23456	2.9
345.26062	2.6
347.27545	4.3
363.26752	4.5
381.27643	3.9
401.31787	5.3
407.32971	9.7
409.34750	3.7
419.33063	31.4
437.34177	100.0
449.38483	2.9
455.35178	82.5
667.38324	3.5
685.38940	10.3
703.40790	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	738.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92997	1.8
52.89042	1.7
55.05502	3.1
55.31280	1.8
62.73663	2.2
67.05499	14.6
69.03434	3.2
69.07063	15.5
79.05450	2.1
81.07053	25.1
83.08622	2.9
83.90877	2.3
85.02913	9.7
87.00829	2.5
91.05511	3.9
93.07037	11.9
95.08620	31.3
97.02885	4.0
97.10126	2.6
99.04463	2.9
105.07044	9.8
107.08588	23.2
109.02892	4.0
109.06525	3.4
109.10155	52.2
117.06961	2.5
119.08604	16.4
121.10125	18.4
123.11707	11.7
127.03854	3.7
131.08543	5.0
133.10138	18.4
135.11664	14.2
143.08577	5.7
145.04918	2.7
145.10104	14.6
147.11708	25.5
149.13257	14.3
157.10133	16.4
159.11732	16.3
161.13249	18.8
163.14772	3.3
169.10086	4.7
171.11702	12.6
173.13281	15.2
175.14786	8.4
177.16394	2.5
181.10080	3.4
183.11720	8.7
185.13272	13.2
187.14828	15.1
192.04555	2.5
195.11671	9.2
197.13324	9.9
199.14777	4.7
201.16399	5.4
203.17960	2.5
209.13210	10.3
211.14761	11.8
213.16396	4.9
223.14656	4.9
225.16380	11.4
227.17905	8.8
231.45799	3.1
236.56273	2.5
237.16507	3.2
239.17885	10.2
241.19414	3.8
251.18118	2.9
253.19452	4.2
265.19482	10.8
267.21069	3.1
279.21075	8.9
283.20520	3.4
285.21994	2.4
293.22556	5.0
323.23456	2.9
345.26062	2.6
347.27545	4.3
363.26752	4.5
381.27643	3.9
401.31787	5.3
407.32971	9.7
409.34750	3.7
419.33063	31.4
437.34177	100.0
449.38483	2.9
455.35178	82.5
667.38324	3.5
685.38940	10.3
703.40790	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	738.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	3.9
67.05501	16.5
69.07066	11.5
81.03419	2.9
81.07069	24.4
82.34220	2.7
83.08594	4.3
83.76618	2.3
85.02913	12.3
87.00793	3.0
91.05491	4.0
93.07043	12.6
95.08611	44.4
97.02882	4.0
97.10186	3.9
99.08161	3.2
105.01894	3.9
105.07040	12.5
107.08601	26.9
109.02914	5.5
109.10168	64.1
114.79578	2.5
117.07071	2.7
119.08547	29.4
121.10149	22.4
123.08042	3.4
123.11736	5.9
125.09616	3.8
125.62901	2.6
127.03931	4.9
131.08594	10.1
133.10155	14.0
135.11678	12.0
143.08614	3.3
145.10114	19.0
146.74486	3.6
147.11674	11.4
149.13292	6.2
155.08611	2.9
157.10143	11.2
159.02902	3.6
159.11693	18.8
161.13341	10.3
171.11653	18.7
173.13226	15.3
175.14845	11.4
181.10121	3.8
183.11639	6.7
184.12434	2.9
185.13286	11.3
187.14880	20.0
189.16406	6.4
195.11745	3.7
197.13200	2.8
199.14850	13.2
201.16377	3.1
211.14711	4.9
213.16464	9.8
217.89426	3.5
225.16313	4.3
227.18024	4.0
237.16379	5.9
239.17921	6.5
249.16241	3.1
251.17986	3.4
265.19467	3.2
361.29129	3.6
401.31958	17.6
419.33093	62.7
437.34140	100.0
455.35217	26.5
585.45612	3.4
685.39313	16.0
703.40015	15.2
738.43872	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	738.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	2.4
55.05519	6.4
55.30078	1.2
55.92381	1.4
57.03437	1.7
57.07106	1.1
59.70706	1.2
67.05505	15.7
68.99802	1.7
69.03426	7.7
69.07069	16.3
77.32837	1.3
79.05490	7.9
81.03429	6.5
81.07065	29.6
83.08601	6.2
85.02909	26.0
85.06573	1.4
87.00827	7.0
91.05479	6.1
91.65282	1.4
92.21626	1.8
93.07063	16.3
95.08619	35.7
95.54766	1.3
97.02899	8.4
97.10184	2.9
99.04448	2.6
101.79220	1.5
105.01849	7.1
105.07053	18.8
107.08611	28.2
109.02895	8.0
109.06482	1.5
109.10165	54.4
109.10906	2.4
111.08113	2.0
111.11749	1.7
117.07014	2.0
119.08570	22.1
121.10152	28.4
123.08076	1.5
123.11729	13.9
125.09664	1.7
127.03925	13.4
129.07028	1.4
131.08580	10.2
133.10118	16.3
135.11656	14.0
140.42165	1.4
143.08549	7.1
145.04961	6.1
145.10135	23.5
147.11694	20.9
149.09782	1.9
149.13257	12.1
155.08595	2.8
156.40572	1.7
157.10135	15.5
159.02838	6.0
159.11679	22.7
161.09630	1.7
161.13225	19.4
163.11258	2.1
163.14851	8.0
167.08551	2.0
169.10159	6.0
171.11687	10.0
173.13252	22.1
175.14848	9.6
177.12807	2.8
177.16365	6.0
181.10063	2.8
183.11725	8.1
185.13226	9.8
187.14821	14.6
189.12912	1.5
189.16333	2.8
191.14365	1.6
195.11739	3.5
197.13274	9.7
199.14842	10.0
201.16388	11.8
203.14441	2.0
203.18021	2.4
209.13287	3.6
211.14828	9.8
213.16348	11.2
215.14357	1.8
215.17960	18.0
217.19550	1.8
221.13141	2.6
223.14879	3.3
224.15392	1.3
225.16383	6.4
227.18004	11.0
229.19484	7.2
231.05038	3.6
237.16399	5.7
239.17981	7.0
241.19551	6.2
243.17523	2.6
243.21069	2.9
245.19077	1.8
249.06104	1.8
249.16365	2.5
251.17966	6.3
253.19522	6.4
255.21104	5.8
263.17981	2.2
265.19772	2.7
267.17270	2.7
267.21072	8.9
269.22693	3.3
273.18405	2.5
279.21002	1.9
281.22635	6.0
283.24203	7.5
285.18497	2.9
291.21051	2.0
295.20358	1.7
307.20642	2.2
309.22205	3.1
309.25745	2.4
311.20322	2.1
321.25726	2.5
351.26517	1.9
363.26877	1.8
381.27670	2.7
391.33789	11.8
401.32050	8.4
409.34412	11.8
418.31519	2.0
419.33084	37.3
436.32867	3.4
437.34134	100.0
454.34042	5.4
455.34930	16.0
667.37994	2.8
684.37439	2.2
685.39331	11.2
703.40454	12.7
718.04962	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	739.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
66.24982	0.7
67.05506	1.7
69.03446	14.0
69.07060	1.0
71.05009	1.0
71.11707	0.8
81.07062	2.1
83.08626	0.8
91.05486	1.1
93.07076	1.5
95.08605	3.9
97.02894	100.0
105.07073	1.1
107.08604	1.6
109.10160	11.5
117.07042	1.0
119.08589	1.6
121.10146	4.0
123.11703	3.9
127.11159	1.3
129.07019	0.9
131.08574	2.0
133.10123	1.6
135.11647	1.0
137.02328	3.4
139.03917	1.7
141.12721	3.4
143.08565	2.0
145.10143	1.9
147.11697	5.6
157.04970	11.8
157.10139	3.8
159.11658	4.3
161.13292	1.5
163.60181	1.0
165.01848	4.1
169.10068	3.5
171.11700	5.0
173.13248	4.8
175.14850	2.0
181.01044	1.0
183.02937	6.7
183.11694	4.6
185.13203	6.1
187.14801	1.8
197.13245	1.9
199.14859	3.3
201.03925	1.6
209.13330	1.6
211.14880	3.1
221.13297	0.9
223.14722	1.3
225.16388	5.2
237.16399	1.3
243.04953	5.8
244.47493	0.9
251.17905	1.2
257.40677	0.9
279.21121	1.6
303.07285	2.9
333.26047	1.3
392.67239	1.0
401.32169	3.4
419.33035	17.4
721.39282	1.5
739.40540	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	740.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.2
55.05525	4.6
67.01690	2.6
67.05495	17.1
69.03416	15.3
69.07066	30.4
73.08888	3.0
79.05534	3.9
81.07069	23.1
83.08623	7.0
85.02898	26.7
93.07047	5.7
95.08618	37.2
96.33277	3.3
97.02871	15.6
99.04478	3.7
105.01893	4.1
105.07008	14.2
107.08586	25.7
109.02892	14.6
109.10166	78.2
118.93056	3.3
119.08546	24.5
121.10126	20.4
123.11723	14.8
127.03932	29.6
128.45441	3.7
131.08527	5.4
133.10124	16.7
135.11729	12.5
137.09560	3.7
145.04921	3.6
145.10120	20.0
147.11674	17.3
149.13272	5.4
157.10115	12.6
159.02882	4.5
159.11723	13.5
161.13260	6.3
169.10158	5.0
171.11729	7.3
173.13278	11.9
175.14801	3.7
183.11668	7.1
185.13264	6.9
187.14822	14.1
189.12575	3.9
197.13251	4.6
199.14789	3.8
209.13124	5.1
211.14806	6.6
213.16315	3.9
215.17892	4.6
225.16367	4.3
237.16383	7.0
239.17926	6.2
253.19447	15.3
255.17255	4.7
313.25281	3.6
342.36566	4.1
403.33740	33.2
421.34683	100.0
439.35620	55.1
457.36212	13.7
669.39545	18.4
687.40558	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	740.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.3
55.01860	1.3
55.05518	2.8
57.07076	2.7
67.05515	16.4
69.03428	6.3
69.07061	13.2
71.04982	14.3
71.08675	1.2
73.02898	1.4
79.05500	3.0
81.03421	8.5
81.07064	22.1
83.08628	5.9
85.02908	15.0
87.00829	8.1
91.05466	3.0
93.07043	14.2
95.08610	32.1
97.02900	9.1
97.06547	1.5
97.10132	4.5
99.04443	2.4
99.08100	1.8
105.01871	6.9
105.07026	13.0
107.08605	21.9
109.02871	8.4
109.10157	92.4
113.09661	2.1
116.17028	1.2
117.06990	2.8
119.08570	19.5
121.10153	24.2
123.11715	25.1
125.09655	1.4
127.03908	14.5
127.11188	39.0
129.06999	2.7
131.08563	10.7
133.10130	19.5
135.08049	1.6
135.11678	16.7
137.13252	7.4
138.76740	1.4
141.12752	2.4
142.55397	1.1
143.08582	8.8
145.04929	1.9
145.10121	23.4
146.20731	1.5
147.11685	21.4
149.13213	14.3
151.93494	1.4
155.08572	2.2
157.10152	10.2
159.02887	5.8
159.11659	16.8
161.13257	17.8
163.14859	5.5
169.10139	3.1
171.11641	16.1
173.13292	16.3
175.11491	1.2
175.14792	6.8
177.16365	1.9
183.11705	6.9
185.13260	29.3
187.14839	16.2
189.12746	2.4
189.16371	2.9
197.13249	2.7
199.14827	16.1
201.16408	13.8
203.14354	1.6
203.17987	2.8
211.14824	5.4
213.16397	8.4
215.17938	7.3
217.15858	2.6
217.19618	2.8
221.18851	2.2
223.14803	1.3
225.16373	3.1
227.17899	9.1
237.16429	1.4
239.17999	5.6
253.19493	5.3
255.21103	2.2
260.27393	1.3
267.21027	2.7
269.22641	2.4
279.21149	1.7
281.22687	2.4
294.23312	2.5
295.24115	1.8
299.23550	2.0
317.24631	2.6
335.27325	1.5
403.33575	10.9
418.01047	1.4
421.34653	100.0
439.35666	67.7
457.36539	11.2
669.39728	7.1
687.40521	6.1
760.90228	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	740.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81495	0.6
53.52391	0.7
54.65939	0.7
56.61782	0.6
57.03457	1.2
61.02923	1.1
61.88763	0.7
66.69624	0.8
67.05504	5.0
67.36211	0.7
69.03436	56.0
69.07063	3.7
71.04999	6.1
79.05479	2.0
80.35979	0.7
81.03408	2.0
81.07068	9.1
83.08620	1.6
85.02909	59.0
87.00826	5.9
89.11181	0.7
91.05488	1.1
93.07044	4.1
95.08611	15.8
97.02889	33.3
97.10142	1.6
98.85347	0.9
99.04454	17.6
99.17519	1.0
105.01859	5.1
105.07028	8.0
107.08571	8.7
109.02892	4.0
109.10160	37.4
111.11669	0.9
115.92271	0.8
117.06989	1.0
117.16731	0.8
119.08605	8.3
121.10143	8.0
123.11691	10.1
125.09657	0.9
127.03918	100.0
127.11207	14.8
129.06978	1.7
129.09137	0.8
131.08569	3.2
133.10159	7.2
135.11726	6.3
137.13255	1.1
143.08565	4.3
145.04967	37.3
145.10152	9.0
147.11673	9.2
149.13239	4.4
157.10127	4.8
159.11668	8.1
161.13281	7.4
169.10187	1.5
171.11668	4.5
171.96046	0.9
173.13257	5.6
175.14795	3.7
183.11649	1.0
185.13252	10.7
187.14787	7.3
197.13284	1.3
199.14824	3.9
201.16412	3.4
211.14755	1.7
213.16391	4.1
215.17924	1.5
217.15976	1.9
217.19572	1.1
221.19002	1.1
223.14929	1.0
225.16483	1.0
227.18173	0.8
231.04930	12.5
239.17920	1.3
241.19469	0.8
249.06030	29.7
253.19540	3.2
265.62717	0.9
294.23337	1.0
295.24057	1.7
403.33603	5.2
421.34650	34.3
439.35669	28.0
453.36252	0.9
457.36652	4.5
600.15802	0.9
665.16443	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	740.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38034	1.6
54.51744	1.3
55.01860	1.7
62.84310	1.7
67.05495	11.7
69.03431	4.7
69.07075	8.3
71.04993	14.3
81.03439	3.8
81.07066	15.4
83.08640	2.2
85.02443	2.2
85.02887	14.9
87.00826	4.6
91.05482	3.1
91.90056	2.0
92.21523	2.4
93.07051	10.0
95.08606	21.7
97.02879	3.8
99.04462	1.8
99.08067	2.3
99.12049	1.9
105.01807	3.8
105.07032	11.6
107.08588	20.2
109.02867	7.9
109.10155	75.5
117.07016	4.2
119.08617	15.8
121.10101	16.1
123.11711	21.2
127.03902	12.8
127.11190	50.0
129.06996	3.8
131.08583	9.5
133.10124	16.0
135.08044	2.2
135.11713	18.8
137.13324	2.2
141.12790	2.8
143.08554	3.8
145.10126	17.6
147.11703	14.7
149.13281	18.9
157.10114	10.2
159.02893	7.7
159.11674	16.6
161.13281	17.2
163.14812	3.9
169.10159	3.4
171.11685	7.8
173.13232	15.8
175.14844	10.1
177.16341	2.2
183.11638	2.5
185.13254	24.6
187.14774	15.5
189.16377	8.9
197.13208	3.8
199.14827	16.0
201.16386	16.8
203.17857	4.0
205.19420	2.3
211.14824	2.3
213.16350	7.7
215.17914	3.1
217.15846	4.5
217.19493	4.1
225.16330	7.9
227.18010	2.9
234.75929	1.8
239.17764	3.4
253.19467	7.8
267.20990	4.1
281.22614	2.9
294.23215	2.8
305.66678	1.8
331.41428	2.3
346.88660	1.9
354.82803	2.4
403.33578	10.0
421.34625	100.0
439.35654	81.0
443.66861	2.0
455.38962	2.1
457.36722	19.5
536.28223	2.4
581.60614	2.1
651.39441	2.4
669.39288	11.0
687.40424	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	740.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	6.1
67.05509	22.7
69.03436	3.5
69.07069	21.4
69.13656	2.1
79.05493	3.8
81.03403	3.1
81.07072	33.0
83.08633	14.1
85.02918	11.9
88.48261	2.4
89.91664	2.6
91.05461	4.0
93.07037	19.9
93.25475	2.5
95.08611	41.7
97.02875	4.6
97.10122	2.4
105.07034	16.0
107.08608	38.6
109.02895	4.9
109.10163	100.0
109.10909	4.0
111.01099	2.6
111.08071	4.9
112.47666	2.9
117.07007	3.1
119.08568	27.7
121.10149	40.3
123.08008	3.5
123.11699	15.6
125.09688	3.6
127.03922	17.8
131.08575	11.8
133.10143	20.9
135.11722	19.9
135.12584	2.5
137.13216	4.7
141.81000	2.6
143.08551	6.1
145.05042	2.9
145.10152	20.3
147.11714	16.8
149.13240	14.9
155.08620	2.4
157.10132	15.0
159.11711	25.0
161.09764	2.8
161.13298	18.5
163.11333	2.9
163.14900	5.1
169.10069	3.1
171.11624	19.8
173.13255	19.1
173.91415	2.5
175.14832	12.3
177.16344	4.6
183.11674	9.4
185.13255	12.5
187.14897	19.9
189.16449	3.2
197.13271	5.8
199.14868	5.4
201.16402	10.6
203.17960	4.3
209.13132	2.9
211.14789	5.1
213.16371	5.6
215.17986	3.7
225.16344	4.7
227.17934	5.8
229.19574	5.7
233.19014	4.1
237.16423	3.2
239.17841	9.3
241.19572	5.4
251.17900	4.4
253.19547	5.9
255.20985	5.2
257.19049	3.8
265.19534	4.2
267.21085	5.1
273.52859	2.7
277.24969	3.0
290.59842	2.7
293.22644	4.2
298.10587	2.7
311.23392	4.9
311.51761	3.0
365.28204	5.3
403.33652	26.8
421.34604	73.0
439.35660	92.1
669.39551	6.1
687.01984	2.7
687.41174	20.7
740.48602	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	740.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.7
54.01090	1.6
55.01881	3.2
55.05513	3.5
57.03453	1.8
57.07083	2.3
67.05511	20.9
69.03428	8.3
69.07067	17.4
73.02923	1.9
75.83714	1.7
77.62651	1.9
78.19249	1.8
79.05505	7.5
81.03413	4.2
81.07059	35.3
83.08640	7.6
85.02924	18.2
85.60720	1.7
87.00834	4.7
91.05493	4.6
93.07048	24.0
95.08614	56.8
97.02936	6.5
97.10181	3.9
99.04452	2.1
99.69901	1.8
105.01887	11.5
105.07047	19.4
107.08607	37.5
109.02891	9.7
109.06544	2.9
109.10163	77.3
111.11739	2.7
111.35133	1.9
119.08585	30.7
121.10154	37.7
123.11708	23.7
125.09624	10.8
127.03927	17.2
129.01874	2.4
131.08574	9.6
133.10135	25.3
135.08041	2.5
135.11734	18.1
137.13245	3.4
143.08549	4.2
145.05011	9.0
145.10091	21.1
147.11697	30.7
149.13228	19.1
155.08589	3.1
157.10141	14.3
159.02887	3.8
159.11682	27.1
161.09697	1.9
161.13255	30.7
163.11136	2.0
163.13623	2.0
163.14803	15.0
169.10156	2.1
171.11717	12.5
173.13264	24.3
175.14781	23.8
177.12804	2.6
177.16437	4.4
183.11540	5.7
185.13214	12.2
187.14832	16.7
189.16380	8.9
191.14217	2.2
197.13295	3.3
199.14853	10.3
201.16339	16.4
203.14336	2.8
203.18027	3.0
205.15996	2.0
211.14819	6.7
213.16434	9.2
215.17937	9.7
217.15945	4.5
217.19513	9.5
225.16360	7.9
227.17982	8.0
229.19530	2.7
231.04909	3.5
231.21027	3.2
239.17966	4.7
241.19568	4.5
243.21150	4.5
251.17816	7.1
253.19597	4.0
255.17412	2.0
255.21123	4.5
257.18826	2.3
259.20764	2.3
267.21066	15.7
269.22882	2.4
279.21191	4.0
281.22849	2.0
283.24234	2.5
293.22684	3.1
295.24136	7.5
311.23712	4.1
313.25198	11.2
315.23160	9.9
329.24460	2.3
339.26328	2.0
342.77014	2.2
347.27219	3.2
363.30750	3.8
383.29303	2.6
393.35086	7.9
403.33575	26.8
411.36017	2.4
421.34631	100.0
439.35785	55.2
622.70593	2.1
669.39758	11.8
687.40906	4.7
737.00244	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	740.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	2.3
57.07079	2.5
64.41396	2.0
64.55273	1.4
67.05501	8.1
69.03426	11.0
69.07079	22.3
71.08618	2.2
79.05491	2.7
81.03407	3.4
81.07060	23.7
83.08637	4.0
85.02905	18.0
87.00819	3.6
91.05485	3.7
93.07059	15.9
95.08605	31.1
97.02909	9.4
97.10174	3.3
97.48963	1.5
99.04484	3.9
105.01888	8.2
105.07044	10.5
107.07965	2.4
107.08604	22.3
109.02885	9.6
109.06509	2.5
109.10168	35.8
111.08035	2.1
111.11703	3.0
113.54039	1.8
119.08598	23.1
121.10142	29.0
123.11713	10.5
127.03909	14.9
131.08612	6.0
133.10100	18.8
135.11673	16.2
138.70197	1.9
143.08528	4.1
145.04982	1.6
145.10126	16.1
147.10733	1.6
147.11702	16.3
149.13266	10.7
157.10097	8.9
159.02902	3.3
159.11705	21.0
161.13287	10.8
163.11220	2.1
163.14839	3.9
169.10088	7.4
171.11664	12.6
173.13261	14.6
175.14806	10.1
177.16499	2.3
183.11710	10.1
185.13217	7.2
187.14792	14.5
189.12804	2.3
189.16389	4.1
191.18028	1.9
195.11623	1.8
197.13318	3.9
199.14725	3.6
201.16447	10.0
203.17958	3.2
211.14809	8.9
213.16403	4.2
215.17993	3.8
219.17503	2.3
223.14806	2.5
225.16409	7.2
227.17879	6.9
231.17390	2.5
237.16409	3.8
239.17871	6.9
241.19516	2.4
243.21001	3.0
249.48097	1.8
251.17982	2.3
255.17334	3.3
255.21242	2.3
265.19403	2.2
269.22668	2.0
281.22760	1.9
293.22745	1.8
311.27344	2.0
393.35190	3.6
403.33652	22.7
421.28986	2.8
421.34656	71.2
439.35773	100.0
446.28519	1.8
651.38391	2.5
669.39618	11.7
687.41058	39.6
705.41577	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	740.4933
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58392	1.8
67.05504	2.8
69.07079	2.2
76.46851	2.4
91.05479	2.9
93.06979	2.0
95.08606	12.6
97.00858	2.4
107.08577	3.9
109.10155	26.9
118.58322	2.3
119.08585	4.2
121.10164	3.5
123.11709	2.9
133.10127	4.4
145.10170	4.3
147.11684	4.2
157.10085	2.8
159.11653	4.3
161.13243	3.4
171.11787	3.2
173.13300	3.9
174.79668	1.9
175.14906	3.2
183.11655	3.8
187.14839	3.6
199.14859	2.9
201.16365	2.4
213.16393	3.6
239.18295	2.5
241.70422	2.5
242.44920	2.5
323.45639	2.3
361.29083	2.8
381.02802	2.5
391.33923	2.7
401.31818	17.4
408.67297	2.5
419.33035	27.8
437.34250	4.2
461.34277	4.3
479.35199	31.7
495.22653	2.4
497.36148	22.1
581.38507	3.1
641.40149	3.4
659.41083	4.6
703.02362	2.9
740.49402	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03954	0.5
78.50150	0.3
81.03392	0.4
85.02902	0.5
91.05524	0.4
93.03399	1.2
97.02892	21.2
103.78282	0.3
112.99837	0.3
119.04905	3.0
121.02853	1.3
122.16630	0.3
127.03948	0.4
131.08548	1.2
141.07022	0.4
144.05746	0.3
147.04405	26.3
149.02325	1.7
153.07109	0.3
157.06493	0.4
159.08041	6.7
167.03392	4.8
167.49898	0.3
169.06490	2.9
171.08063	0.6
185.05994	0.7
187.07536	4.4
188.22955	0.3
191.93848	0.3
197.06010	3.5
215.07063	3.8
242.27852	0.4
261.07590	8.7
279.08560	1.9
301.07050	100.0
460.02341	0.3
462.10873	0.3
463.12213	0.5
655.07019	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	741.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27963	0.2
57.03426	0.2
61.45530	0.2
64.60661	0.2
65.03955	0.4
69.04235	0.2
74.53517	0.2
76.06258	0.2
78.95832	0.2
79.98206	0.2
85.02898	0.9
85.25817	0.2
91.05470	1.5
93.03377	0.2
97.02891	7.6
109.96033	0.2
119.04942	6.3
121.02846	0.4
147.04413	39.2
157.06320	0.2
159.04405	1.5
159.08018	1.6
167.03374	0.5
169.06456	0.4
177.05515	0.5
185.05965	0.5
187.07521	0.4
197.06036	1.1
197.96973	0.2
215.07040	0.4
243.06493	2.2
261.07562	1.2
279.08563	0.5
286.04581	0.3
301.07065	100.0
343.08249	0.3
463.12576	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	742.385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.1
55.05523	4.7
57.03445	2.9
61.02921	4.3
67.05505	11.5
67.82585	2.0
67.94994	2.1
69.03426	3.1
69.07063	8.9
71.04972	2.2
79.05498	13.4
81.03426	33.1
81.07066	26.2
81.55280	2.0
82.84776	2.6
83.08654	24.0
85.02909	16.0
91.03942	9.2
91.05486	12.5
93.07043	14.0
95.04971	17.2
95.08597	9.6
97.02878	4.8
97.06525	11.6
97.10177	20.4
99.73973	2.5
105.07053	5.5
107.08607	13.7
109.06529	5.2
109.10168	10.0
111.04481	3.8
111.08099	12.3
112.92121	2.0
117.07027	2.9
119.08562	13.4
121.06481	2.9
121.10130	11.3
123.08064	19.9
125.09627	28.1
125.74379	2.6
131.08569	11.4
133.10149	5.2
135.08064	3.0
135.11708	4.3
137.09641	8.7
145.10120	4.0
147.08063	10.5
147.11707	13.3
149.09648	5.3
149.13173	2.3
153.12807	3.2
157.10129	13.7
159.11656	4.1
163.11154	17.2
173.13173	2.7
175.11168	22.3
177.12625	2.9
179.60942	2.5
181.12245	3.9
185.09570	2.8
189.11200	9.3
193.10593	3.0
193.12245	64.5
205.99008	2.3
211.13222	26.5
223.13315	4.0
227.12692	3.6
245.18967	2.8
267.15939	9.4
269.17572	3.1
273.18573	21.3
285.16959	65.3
291.19537	40.9
365.23212	57.9
383.24283	100.0
401.25436	15.6
479.49359	2.3
491.60980	2.3
545.29401	4.5
687.04852	2.7
693.16150	2.7
696.68799	2.6
746.42828	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	742.385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.1
55.05523	4.7
57.03445	2.9
61.02921	4.3
67.05505	11.5
67.82585	2.0
67.94994	2.1
69.03426	3.1
69.07063	8.9
71.04972	2.2
79.05498	13.4
81.03426	33.1
81.07066	26.2
81.55280	2.0
82.84776	2.6
83.08654	24.0
85.02909	16.0
91.03942	9.2
91.05486	12.5
93.07043	14.0
95.04971	17.2
95.08597	9.6
97.02878	4.8
97.06525	11.6
97.10177	20.4
99.73973	2.5
105.07053	5.5
107.08607	13.7
109.06529	5.2
109.10168	10.0
111.04481	3.8
111.08099	12.3
112.92121	2.0
117.07027	2.9
119.08562	13.4
121.06481	2.9
121.10130	11.3
123.08064	19.9
125.09627	28.1
125.74379	2.6
131.08569	11.4
133.10149	5.2
135.08064	3.0
135.11708	4.3
137.09641	8.7
145.10120	4.0
147.08063	10.5
147.11707	13.3
149.09648	5.3
149.13173	2.3
153.12807	3.2
157.10129	13.7
159.11656	4.1
163.11154	17.2
173.13173	2.7
175.11168	22.3
177.12625	2.9
179.60942	2.5
181.12245	3.9
185.09570	2.8
189.11200	9.3
193.10593	3.0
193.12245	64.5
205.99008	2.3
211.13222	26.5
223.13315	4.0
227.12692	3.6
245.18967	2.8
267.15939	9.4
269.17572	3.1
273.18573	21.3
285.16959	65.3
291.19537	40.9
365.23212	57.9
383.24283	100.0
401.25436	15.6
479.49359	2.3
491.60980	2.3
545.29401	4.5
687.04852	2.7
693.16150	2.7
696.68799	2.6
746.42828	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	742.385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.1
55.05523	4.7
57.03445	2.9
61.02921	4.3
67.05505	11.5
67.82585	2.0
67.94994	2.1
69.03426	3.1
69.07063	8.9
71.04972	2.2
79.05498	13.4
81.03426	33.1
81.07066	26.2
81.55280	2.0
82.84776	2.6
83.08654	24.0
85.02909	16.0
91.03942	9.2
91.05486	12.5
93.07043	14.0
95.04971	17.2
95.08597	9.6
97.02878	4.8
97.06525	11.6
97.10177	20.4
99.73973	2.5
105.07053	5.5
107.08607	13.7
109.06529	5.2
109.10168	10.0
111.04481	3.8
111.08099	12.3
112.92121	2.0
117.07027	2.9
119.08562	13.4
121.06481	2.9
121.10130	11.3
123.08064	19.9
125.09627	28.1
125.74379	2.6
131.08569	11.4
133.10149	5.2
135.08064	3.0
135.11708	4.3
137.09641	8.7
145.10120	4.0
147.08063	10.5
147.11707	13.3
149.09648	5.3
149.13173	2.3
153.12807	3.2
157.10129	13.7
159.11656	4.1
163.11154	17.2
173.13173	2.7
175.11168	22.3
177.12625	2.9
179.60942	2.5
181.12245	3.9
185.09570	2.8
189.11200	9.3
193.10593	3.0
193.12245	64.5
205.99008	2.3
211.13222	26.5
223.13315	4.0
227.12692	3.6
245.18967	2.8
267.15939	9.4
269.17572	3.1
273.18573	21.3
285.16959	65.3
291.19537	40.9
365.23212	57.9
383.24283	100.0
401.25436	15.6
479.49359	2.3
491.60980	2.3
545.29401	4.5
687.04852	2.7
693.16150	2.7
696.68799	2.6
746.42828	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	742.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.1
55.05525	1.7
57.03446	0.7
67.05505	11.3
69.03428	4.4
69.07069	3.2
71.04994	0.8
79.05499	8.4
81.03431	8.4
81.07061	12.2
83.08635	1.2
85.02901	2.9
90.01827	0.8
91.05474	4.2
93.07038	11.5
95.04949	1.7
95.08611	10.3
97.02895	1.4
105.04540	0.9
105.07033	5.1
107.08592	7.8
109.02877	3.4
109.06550	1.1
109.10141	4.4
110.93690	0.8
111.04406	0.9
117.06991	4.3
119.08598	4.9
120.11915	0.7
121.10141	5.5
123.04424	40.8
123.11707	1.6
127.03900	0.8
129.06987	1.4
131.08574	5.3
131.58633	0.8
133.06509	7.9
133.10129	4.9
135.11694	5.2
137.05969	0.9
145.10135	2.9
147.04398	12.8
147.11682	4.4
149.05966	1.6
149.13268	1.4
152.04703	1.1
157.10083	1.2
159.08110	0.9
159.11699	2.8
161.05986	7.8
161.13271	1.5
165.05457	14.4
167.07024	100.0
169.74696	0.8
173.05980	1.4
173.13216	1.7
181.08565	3.1
185.05933	0.7
185.13301	0.7
187.14752	1.0
189.05446	9.0
193.08524	5.8
211.07492	1.1
213.05489	3.9
231.06546	5.0
238.58298	0.8
239.06938	1.1
243.21274	0.8
261.22067	1.5
277.21536	0.7
298.57285	0.8
303.12244	9.6
303.23221	1.2
315.12109	1.3
321.23865	1.1
327.12192	11.6
345.13263	11.7
356.38831	0.8
369.13251	8.2
369.24329	0.9
393.13269	17.5
405.26483	1.2
411.14276	8.2
423.27020	1.1
621.33771	0.8
671.35107	3.2
689.36432	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	742.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	10.8
57.03447	11.9
61.02925	1.6
62.27403	0.8
67.05509	40.7
69.03425	1.6
69.07071	15.9
71.04990	4.0
75.99142	1.0
79.05495	25.4
79.05933	1.7
81.07061	88.2
83.04978	6.0
83.08621	11.8
85.02913	2.4
85.06540	4.2
91.05477	24.1
93.07042	30.7
95.04985	3.8
95.08607	42.7
97.06530	6.7
97.10167	2.1
99.08099	2.5
100.92819	1.1
105.07033	33.3
107.08594	30.5
109.06518	6.9
109.10152	15.6
111.08076	2.2
113.06003	1.1
115.52268	1.0
117.06997	1.5
119.08575	31.0
121.10139	37.4
123.08064	6.4
123.11704	38.5
127.07555	2.5
131.08580	9.3
131.14764	1.0
133.10139	9.6
135.11693	13.2
137.09641	1.4
137.13260	2.3
141.09084	1.4
145.10110	5.9
147.11688	100.0
149.09705	1.0
149.13173	7.1
157.10175	1.6
159.11681	4.8
161.13243	4.7
163.14813	1.9
165.12746	29.5
170.57402	1.2
173.13213	3.7
175.11145	3.8
183.13718	1.9
187.14804	4.4
229.14445	1.6
243.21133	3.8
261.22180	14.5
267.15894	51.3
279.23236	3.8
285.16946	75.2
335.25778	68.9
353.26697	4.4
354.56458	1.4
489.45767	1.2
527.37329	8.9
545.38397	81.9
563.39404	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	742.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29596	4.4
55.05515	5.6
57.03447	8.4
58.90122	4.4
63.36420	3.6
67.05515	41.0
69.07058	5.7
73.90173	3.9
79.05495	22.1
81.07061	100.0
83.04980	5.7
83.08616	10.7
85.06564	4.8
91.05466	9.9
93.07068	32.3
95.08612	49.8
103.26971	4.7
105.07033	34.8
107.08612	31.4
109.10141	10.4
119.08581	26.2
121.10105	37.5
123.11719	37.4
135.11661	6.0
138.11020	4.1
147.11696	94.1
149.13210	6.4
165.12735	24.2
181.12195	4.4
196.17099	5.7
212.56989	4.6
256.26410	5.4
261.22058	9.0
267.15863	44.0
285.16946	75.6
318.29901	9.6
335.25833	70.8
538.67102	4.8
545.38354	94.1
563.39282	9.3
588.39526	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	743.312
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09656	0.4
67.05510	1.0
70.06581	3.6
73.62218	0.5
84.04536	0.6
85.02934	1.2
86.09698	1.1
94.06571	1.2
95.04936	0.7
98.06033	0.8
108.04522	0.7
122.06068	4.5
124.07643	0.7
126.05500	4.5
126.09184	1.3
129.10262	0.6
136.07594	1.3
138.05518	1.3
140.07060	3.3
152.10698	1.1
154.03722	1.1
154.04987	34.2
154.07474	0.7
154.08609	16.0
162.19228	0.6
166.08672	1.2
168.10196	7.4
191.54541	0.7
202.08638	0.8
204.06480	1.0
204.10124	1.0
220.09636	2.6
222.11255	1.1
229.09671	0.9
230.08174	1.3
230.54131	0.6
239.10281	0.8
247.10818	3.3
248.09126	1.2
252.96025	0.7
257.09189	3.1
259.10712	0.9
261.12247	4.5
262.13104	3.2
263.13901	3.5
267.11386	1.1
271.10687	3.1
274.09482	4.1
274.96213	0.7
275.07864	2.5
275.10327	1.2
276.08789	5.3
278.06506	8.3
280.11850	0.9
289.11813	37.0
292.10422	2.9
295.10791	4.0
306.09769	10.4
307.12909	30.3
309.12173	0.8
313.11740	0.9
323.10141	1.4
327.13278	4.3
337.11813	5.9
339.09753	0.8
351.09811	8.7
353.11295	3.1
355.12857	24.7
365.11185	0.8
367.09149	0.8
381.10785	6.4
382.11526	1.2
383.12363	21.7
385.09979	1.0
387.15436	2.3
397.14526	0.7
415.15308	4.5
417.12848	3.3
444.15768	1.0
447.15598	0.8
462.16541	3.7
472.14929	8.4
489.14938	1.1
490.16183	6.7
504.17899	4.3
522.18622	12.9
536.20068	1.5
554.21436	7.5
586.23962	100.0
629.21875	2.9
661.25055	14.2
679.24945	0.9
693.27203	3.7
708.96533	0.7
743.26294	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	743.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98569	0.4
67.05502	0.5
69.03419	0.5
69.07103	0.5
70.06578	0.8
78.12965	0.4
85.02939	0.9
86.09715	0.5
91.05476	0.5
93.50313	0.4
94.06586	0.5
94.26665	0.5
95.08627	0.5
98.18976	0.5
112.07674	0.5
112.90151	0.4
119.08572	0.5
122.06051	3.4
124.07601	0.5
126.05526	2.6
126.09165	2.3
136.07585	0.8
137.06836	0.5
138.09219	0.6
140.07091	2.4
152.07147	0.7
152.10750	1.1
154.05013	8.1
154.08630	9.6
154.09789	0.5
166.08742	0.8
168.10239	5.2
177.05484	0.7
204.10268	0.8
207.11397	0.8
220.09744	0.7
221.10556	2.0
221.12900	0.8
222.11243	0.6
229.09758	0.5
230.08098	0.9
243.61697	0.5
247.10834	1.8
248.09160	5.3
250.10962	0.8
257.09323	1.0
259.10834	0.5
261.12372	2.0
262.13239	1.2
262.77362	0.4
263.14029	2.3
271.10889	2.4
273.12787	0.5
274.09702	2.5
275.07886	0.9
276.08679	5.5
278.06543	4.7
280.11786	2.5
289.11807	22.5
292.10617	2.0
293.08966	1.7
295.11026	0.8
306.09692	6.9
307.12909	20.9
316.08142	6.8
320.02634	0.5
337.12003	1.8
351.09827	6.3
353.11606	1.0
355.12936	6.5
367.09244	0.8
369.10989	0.8
381.11044	2.0
382.11682	1.0
383.12439	10.4
385.10153	0.9
401.13574	0.6
401.32181	1.1
415.15057	2.9
417.12955	3.8
419.33182	1.0
422.16803	0.5
472.15137	2.7
476.17816	0.7
489.15527	0.6
490.16138	2.8
494.18997	0.7
504.17789	1.8
505.16058	0.8
522.11694	0.8
522.18738	6.9
536.20355	2.0
554.21381	5.8
586.23999	100.0
629.22528	0.9
661.24951	3.9
693.27313	2.3
743.43811	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	743.4952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06263	0.2
56.05032	1.7
56.30278	0.2
58.04084	1.3
60.05627	0.4
70.06586	0.5
72.04519	10.0
72.31883	0.3
74.02438	0.7
74.06079	1.8
75.43063	0.2
76.05132	42.7
79.05492	0.3
81.03417	0.5
81.07049	1.5
83.08622	0.3
85.02898	0.5
95.04969	0.4
95.08607	0.6
95.35262	0.3
102.05563	3.7
102.21482	0.3
102.69160	0.3
105.07020	0.3
107.08595	0.7
109.10146	0.6
110.07172	0.3
114.06668	0.6
114.07722	0.3
116.08248	0.5
118.05016	20.4
119.08558	0.7
120.06537	2.9
121.10160	0.4
125.09632	0.3
131.09300	2.4
132.07692	0.6
133.10130	0.4
135.07602	0.5
143.04498	0.3
147.11670	0.6
158.05614	1.9
159.08781	4.4
160.07167	39.2
169.06088	0.6
177.09825	100.0
184.07211	0.7
193.12283	0.4
194.12637	0.4
273.18347	0.4
274.18869	0.4
285.11829	1.4
285.16983	0.5
291.19385	0.3
303.12857	1.7
366.23611	0.4
383.24130	1.6
384.24576	3.2
500.46201	0.3
507.01517	0.3
527.57281	0.3
559.11700	0.4
725.47980	0.4
743.36377	0.5
743.49634	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	744.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.7
57.03437	2.1
57.97873	1.1
61.02933	1.7
67.05508	7.2
67.97340	1.2
69.03446	1.9
71.08630	2.4
79.05505	5.3
81.03423	30.5
81.07066	5.6
83.04990	1.8
83.08624	22.4
85.02919	9.1
85.85044	1.3
86.33823	1.2
91.03899	2.1
91.05470	5.8
93.07034	3.2
95.04968	18.6
95.08613	1.3
97.02885	3.1
97.10176	8.6
99.08085	5.4
99.82985	1.2
105.07056	2.8
107.04960	1.9
107.08600	5.7
109.06497	1.7
109.10175	5.7
111.04450	2.2
111.08050	11.6
119.08611	9.7
121.10117	2.6
125.09643	14.8
129.07004	4.9
131.08580	2.8
133.10155	5.8
135.11661	1.6
137.09682	1.4
145.10129	1.7
147.11694	14.6
149.09610	7.4
149.13290	1.7
153.09171	1.9
157.10117	7.6
159.11784	1.4
163.11186	14.2
165.12730	7.0
175.11166	12.8
177.12721	2.0
189.11278	2.5
193.12257	57.7
195.13818	6.2
211.13298	26.6
223.13348	2.4
229.14182	1.7
259.66168	1.5
267.15857	5.6
275.19965	11.8
285.16983	100.0
293.21094	33.9
367.24799	28.9
385.25803	40.0
403.26859	7.5
452.40195	1.4
547.31342	1.7
744.49512	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	744.4
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	5.6
58.90962	3.2
61.02927	6.7
67.05510	37.6
68.54877	3.9
69.07080	15.1
70.06593	5.8
79.05502	15.7
81.03404	4.4
81.07056	56.1
83.08624	15.9
85.02901	16.3
85.06555	4.1
86.09705	6.1
91.03936	7.4
91.05492	20.0
92.21642	3.8
93.07047	34.8
95.04983	6.9
95.08597	27.0
97.02899	5.6
97.06522	8.6
97.10167	5.4
105.07039	15.3
107.08585	21.9
109.06510	16.2
109.10172	33.6
119.08578	18.5
121.10141	20.7
124.12551	4.0
125.09646	7.7
131.08568	19.7
133.10091	28.8
135.11678	6.8
135.23009	4.4
137.09589	4.3
145.02866	7.3
145.10132	17.2
147.11707	17.9
149.09682	6.1
149.13281	22.8
151.11137	6.1
154.04977	6.9
159.11575	31.8
161.13208	7.4
171.93468	3.7
173.11746	19.4
173.13135	6.6
177.05450	36.2
177.12796	7.9
179.14171	4.4
195.13820	7.3
227.12616	4.6
229.14374	44.7
246.24919	4.1
257.19049	6.7
269.17480	100.0
275.20123	37.8
289.11569	6.6
309.20581	7.6
349.23822	66.5
367.24811	77.8
419.93219	5.4
431.22845	4.2
587.24109	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	744.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.7
57.03437	2.1
57.97873	1.1
61.02933	1.7
67.05508	7.2
67.97340	1.2
69.03446	1.9
71.08630	2.4
79.05505	5.3
81.03423	30.5
81.07066	5.6
83.04990	1.8
83.08624	22.4
85.02919	9.1
85.85044	1.3
86.33823	1.2
91.03899	2.1
91.05470	5.8
93.07034	3.2
95.04968	18.6
95.08613	1.3
97.02885	3.1
97.10176	8.6
99.08085	5.4
99.82985	1.2
105.07056	2.8
107.04960	1.9
107.08600	5.7
109.06497	1.7
109.10175	5.7
111.04450	2.2
111.08050	11.6
119.08611	9.7
121.10117	2.6
125.09643	14.8
129.07004	4.9
131.08580	2.8
133.10155	5.8
135.11661	1.6
137.09682	1.4
145.10129	1.7
147.11694	14.6
149.09610	7.4
149.13290	1.7
153.09171	1.9
157.10117	7.6
159.11784	1.4
163.11186	14.2
165.12730	7.0
175.11166	12.8
177.12721	2.0
189.11278	2.5
193.12257	57.7
195.13818	6.2
211.13298	26.6
223.13348	2.4
229.14182	1.7
259.66168	1.5
267.15857	5.6
275.19965	11.8
285.16983	100.0
293.21094	33.9
367.24799	28.9
385.25803	40.0
403.26859	7.5
452.40195	1.4
547.31342	1.7
744.49512	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	744.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14882	1.6
55.01876	1.9
55.05511	14.3
57.03439	11.7
57.07106	2.0
61.02924	11.3
67.05516	55.8
68.53333	1.9
69.03422	2.5
69.07070	8.7
70.59686	1.9
71.04989	3.3
71.08634	53.9
72.10414	1.8
79.05492	22.3
81.03405	2.5
81.07063	36.7
83.04987	3.9
83.08614	7.9
85.02904	20.0
85.06532	3.3
91.03960	10.6
91.05455	15.6
93.07060	17.4
95.04993	2.0
95.08604	31.4
97.02901	10.2
97.06519	4.0
97.10149	3.3
99.08099	42.0
105.07032	14.0
107.08589	17.4
109.02867	2.7
109.06570	2.8
109.10169	39.2
111.08078	4.0
117.06992	3.2
117.09134	2.3
119.08553	15.5
121.10172	10.7
125.09669	2.4
127.03893	4.1
133.10141	8.7
135.11713	11.5
137.09602	3.3
139.11151	4.6
143.08641	2.1
145.04991	2.3
145.10043	4.9
147.11691	8.1
149.13246	2.7
151.11182	18.1
155.10707	2.7
159.11710	3.4
161.13257	16.5
163.11154	4.7
165.12796	3.5
171.11635	3.6
173.11722	35.2
179.14264	18.6
219.17404	19.3
229.14308	55.3
231.20906	3.4
241.19664	3.3
253.18004	3.6
259.15369	3.3
259.20621	4.0
269.17523	3.7
277.21652	18.9
293.20993	10.0
341.23215	2.4
351.25281	100.0
367.24509	8.4
369.26318	14.0
385.25818	3.1
430.36526	2.8
547.30981	8.5
591.55829	2.6
730.38049	2.8
744.40509	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	744.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00318	4.7
55.05516	14.5
55.99287	2.1
57.03445	20.0
57.07080	2.8
61.02938	18.6
61.05943	2.0
66.82274	2.1
67.05514	61.5
67.21398	2.6
69.03417	5.3
69.07067	15.9
71.04986	10.3
71.08634	58.9
73.02916	5.4
74.05871	2.5
79.05500	25.2
81.03432	11.9
81.07067	52.4
83.04984	10.3
83.08622	15.4
85.02905	27.8
85.06532	2.8
85.86385	2.2
91.03975	18.6
91.05484	21.9
93.07027	24.6
95.04976	4.7
95.08608	48.7
97.02876	16.4
97.06523	10.1
97.10182	4.9
99.04475	4.0
99.08102	56.7
105.07037	15.3
107.08588	19.4
109.02897	3.4
109.06532	3.9
109.10165	57.3
111.08104	4.6
117.07004	3.0
117.09148	4.1
119.08590	19.3
121.10126	14.1
123.08061	3.1
125.09634	9.4
127.03897	10.3
127.61991	2.5
129.06950	3.2
133.10126	15.2
135.11655	10.9
137.09656	3.7
139.07594	2.6
139.11183	12.3
143.10649	2.6
145.04968	3.4
145.10103	9.1
147.11674	6.1
149.13240	10.0
151.11211	24.0
155.10629	5.7
157.12280	4.3
159.11639	2.7
161.13242	22.3
163.06046	3.2
163.11192	15.7
165.12776	3.4
171.11641	5.1
173.11723	64.6
175.14818	2.8
179.14291	16.3
180.05661	2.3
229.14314	90.9
241.19423	3.3
249.22243	3.9
253.17976	15.5
259.20679	4.3
269.17517	12.5
271.15439	14.2
275.20071	4.4
277.21637	17.0
293.21091	12.6
341.23004	3.5
351.25284	100.0
367.24725	14.3
369.26309	42.2
373.18750	3.8
413.82550	3.0
464.71658	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	744.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.9
55.05518	16.2
57.03441	3.4
57.07058	1.7
61.02926	1.7
64.01843	1.4
65.07838	1.6
67.05507	24.3
69.03432	59.0
69.07069	15.7
71.04981	7.1
71.44142	1.4
75.04485	6.7
75.67592	1.6
79.05486	11.2
81.03416	9.4
81.06617	2.1
81.07064	41.4
83.04978	12.8
83.08613	2.3
85.02905	36.5
85.06540	3.6
91.05465	13.7
93.07031	21.7
95.04980	14.3
95.08610	54.5
97.02889	37.3
97.06533	6.9
97.10168	7.9
97.62598	1.5
99.04446	29.0
103.03914	5.5
105.07031	25.4
107.07924	3.0
107.08594	59.5
109.02882	8.1
109.06524	3.0
109.10154	67.6
111.08062	7.0
111.11696	1.6
113.06032	3.2
117.07009	3.4
119.08567	55.7
121.06515	3.2
121.10145	39.7
123.08072	10.3
123.11691	10.7
125.09631	8.4
127.03907	48.2
129.07039	3.1
131.08577	19.0
132.80058	1.8
133.10121	45.8
135.08060	10.2
135.11696	19.8
137.09612	2.8
137.13232	2.7
139.11145	2.1
141.05466	6.8
143.08606	11.5
145.04959	10.2
145.10120	54.8
147.08040	2.1
147.11668	31.0
149.09604	6.5
149.13266	12.8
151.11247	2.6
153.05438	10.1
155.08580	3.6
156.09315	1.7
157.10155	23.2
159.08029	2.0
159.11673	35.0
161.09583	7.7
161.13243	30.6
163.11185	7.4
163.14799	8.0
169.10144	15.7
171.11685	31.5
173.09628	3.9
173.13261	32.1
175.11183	7.6
175.14833	20.2
177.12668	3.1
181.10120	3.5
182.10963	2.5
183.11682	18.1
185.13229	24.1
187.11139	7.8
187.14810	26.6
189.12674	1.9
189.16394	2.7
195.11696	10.1
197.13283	16.2
199.11005	2.0
199.14810	18.1
201.07581	11.9
201.12810	2.0
201.16345	9.7
203.17984	3.2
207.11758	3.4
209.13281	12.9
211.14793	18.8
213.16402	14.4
215.14297	7.1
215.17899	3.4
219.08635	4.0
221.13223	7.5
222.13846	2.4
223.14795	13.3
225.16379	14.3
227.14392	2.4
227.17946	12.2
229.15817	3.0
231.17363	1.7
235.14717	7.2
237.16344	16.0
239.17992	12.1
241.15930	1.9
241.19510	7.0
241.25142	2.0
243.17387	3.5
243.21103	1.8
247.14586	2.0
249.16409	6.5
251.18039	13.3
253.19562	9.4
255.17473	2.5
263.17914	3.6
265.19431	8.3
267.17538	2.1
267.21045	3.0
269.19031	3.6
275.17963	3.4
277.11493	2.1
279.21124	7.7
281.22577	6.3
289.19614	2.6
291.21100	10.0
293.22440	11.5
305.22687	2.7
307.10205	2.5
309.22141	8.2
311.23727	2.4
317.22736	2.5
319.24167	9.1
321.25803	3.8
329.22174	2.0
335.23859	2.6
337.25229	3.8
343.24411	2.0
353.24789	2.8
359.27338	9.4
377.28363	21.8
379.26230	7.8
389.32220	2.1
395.29700	14.3
397.27615	2.5
399.30450	18.2
417.31543	45.4
433.30710	2.4
435.32629	25.9
437.30084	6.4
453.33350	2.8
455.31451	4.0
459.32529	8.6
477.33615	61.6
495.34659	100.0
511.34485	3.1
513.35724	20.6
531.37018	7.6
597.37494	2.6
639.38312	3.5
657.39758	17.1
673.39380	2.2
693.41467	2.6
744.44171	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	744.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.9
55.05518	16.2
57.03441	3.4
57.07058	1.7
61.02926	1.7
64.01843	1.4
65.07838	1.6
67.05507	24.3
69.03432	59.0
69.07069	15.7
71.04981	7.1
71.44142	1.4
75.04485	6.7
75.67592	1.6
79.05486	11.2
81.03416	9.4
81.06617	2.1
81.07064	41.4
83.04978	12.8
83.08613	2.3
85.02905	36.5
85.06540	3.6
91.05465	13.7
93.07031	21.7
95.04980	14.3
95.08610	54.5
97.02889	37.3
97.06533	6.9
97.10168	7.9
97.62598	1.5
99.04446	29.0
103.03914	5.5
105.07031	25.4
107.07924	3.0
107.08594	59.5
109.02882	8.1
109.06524	3.0
109.10154	67.6
111.08062	7.0
111.11696	1.6
113.06032	3.2
117.07009	3.4
119.08567	55.7
121.06515	3.2
121.10145	39.7
123.08072	10.3
123.11691	10.7
125.09631	8.4
127.03907	48.2
129.07039	3.1
131.08577	19.0
132.80058	1.8
133.10121	45.8
135.08060	10.2
135.11696	19.8
137.09612	2.8
137.13232	2.7
139.11145	2.1
141.05466	6.8
143.08606	11.5
145.04959	10.2
145.10120	54.8
147.08040	2.1
147.11668	31.0
149.09604	6.5
149.13266	12.8
151.11247	2.6
153.05438	10.1
155.08580	3.6
156.09315	1.7
157.10155	23.2
159.08029	2.0
159.11673	35.0
161.09583	7.7
161.13243	30.6
163.11185	7.4
163.14799	8.0
169.10144	15.7
171.11685	31.5
173.09628	3.9
173.13261	32.1
175.11183	7.6
175.14833	20.2
177.12668	3.1
181.10120	3.5
182.10963	2.5
183.11682	18.1
185.13229	24.1
187.11139	7.8
187.14810	26.6
189.12674	1.9
189.16394	2.7
195.11696	10.1
197.13283	16.2
199.11005	2.0
199.14810	18.1
201.07581	11.9
201.12810	2.0
201.16345	9.7
203.17984	3.2
207.11758	3.4
209.13281	12.9
211.14793	18.8
213.16402	14.4
215.14297	7.1
215.17899	3.4
219.08635	4.0
221.13223	7.5
222.13846	2.4
223.14795	13.3
225.16379	14.3
227.14392	2.4
227.17946	12.2
229.15817	3.0
231.17363	1.7
235.14717	7.2
237.16344	16.0
239.17992	12.1
241.15930	1.9
241.19510	7.0
241.25142	2.0
243.17387	3.5
243.21103	1.8
247.14586	2.0
249.16409	6.5
251.18039	13.3
253.19562	9.4
255.17473	2.5
263.17914	3.6
265.19431	8.3
267.17538	2.1
267.21045	3.0
269.19031	3.6
275.17963	3.4
277.11493	2.1
279.21124	7.7
281.22577	6.3
289.19614	2.6
291.21100	10.0
293.22440	11.5
305.22687	2.7
307.10205	2.5
309.22141	8.2
311.23727	2.4
317.22736	2.5
319.24167	9.1
321.25803	3.8
329.22174	2.0
335.23859	2.6
337.25229	3.8
343.24411	2.0
353.24789	2.8
359.27338	9.4
377.28363	21.8
379.26230	7.8
389.32220	2.1
395.29700	14.3
397.27615	2.5
399.30450	18.2
417.31543	45.4
433.30710	2.4
435.32629	25.9
437.30084	6.4
453.33350	2.8
455.31451	4.0
459.32529	8.6
477.33615	61.6
495.34659	100.0
511.34485	3.1
513.35724	20.6
531.37018	7.6
597.37494	2.6
639.38312	3.5
657.39758	17.1
673.39380	2.2
693.41467	2.6
744.44171	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	744.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	12.2
57.03439	10.3
57.07076	4.1
58.24145	0.9
61.02927	1.1
67.05508	43.8
69.03447	1.5
69.07067	26.6
73.51532	1.0
78.78846	1.1
79.05501	12.0
80.31329	1.2
81.07059	94.6
83.04987	4.4
83.08617	19.6
83.47684	1.0
85.02909	1.9
85.06538	4.5
90.21404	1.0
91.03948	1.8
91.05476	17.2
92.21535	1.4
93.07050	17.2
95.08606	49.8
97.06519	7.8
97.10192	6.4
99.08109	2.4
101.05940	1.2
105.07033	29.5
105.72000	1.1
107.08602	17.0
109.06523	2.7
109.10159	17.8
111.08129	1.0
119.08562	27.8
121.10134	30.7
123.08053	6.8
123.11697	40.8
125.09647	2.2
127.07543	5.3
131.58904	1.0
133.10118	9.6
135.11674	7.5
137.09627	1.3
137.13222	9.5
147.11682	96.6
149.13277	1.2
157.10149	1.9
161.13188	4.1
163.14810	1.2
163.54448	1.1
165.12730	36.5
175.11134	4.1
175.14856	1.6
183.13814	1.4
193.12231	1.3
229.14378	1.8
245.22655	1.5
263.23712	7.2
267.11615	1.3
267.15881	78.0
285.16959	91.1
337.27347	74.5
355.28076	1.4
501.05493	1.2
547.39966	100.0
565.40863	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	744.489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	12.5
57.03435	10.1
67.05506	39.0
69.07064	31.3
78.23449	2.6
79.05489	11.5
81.07063	89.0
83.04980	5.4
83.08631	19.6
85.06532	3.1
91.05495	19.0
93.07050	18.0
95.08605	42.7
97.06555	5.3
97.10170	4.3
99.08106	4.9
100.61481	2.3
105.07024	28.2
107.08575	18.3
109.10136	16.2
111.08070	2.9
119.08582	23.1
121.10146	25.2
123.08105	3.6
123.11715	42.6
127.07512	3.6
133.10085	7.2
137.13239	3.6
147.11691	100.0
154.63330	2.1
157.10071	3.2
165.12778	35.5
192.36612	3.1
193.12389	2.5
229.90477	2.2
263.23587	3.6
267.15903	81.7
285.16934	74.7
337.27365	76.1
384.88934	2.7
391.37817	2.5
411.64996	2.7
426.70139	2.6
547.39935	95.7
560.27301	2.7
565.41040	3.8
737.41803	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	745.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76840	1.2
64.08258	1.0
95.08599	1.9
108.54587	1.3
109.10146	1.5
112.33891	1.3
114.09210	1.6
124.72047	1.3
127.00066	2.3
127.19468	1.2
129.23862	1.3
130.51608	1.2
140.80261	1.2
159.11774	1.5
200.84312	1.2
243.04805	3.1
263.29590	1.4
271.04318	2.0
289.05383	5.1
303.16797	1.2
623.40466	1.7
641.40039	2.8
659.41193	1.8
665.40137	1.8
683.41235	13.9
701.41968	9.8
727.41205	9.3
745.41187	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	745.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	5.1
55.01869	2.4
55.05509	4.5
61.52496	1.9
67.05523	20.1
69.03445	23.3
69.07084	17.2
70.71213	2.1
71.05022	2.3
79.05499	2.9
79.85987	2.2
80.44248	1.9
81.03416	25.7
81.07062	31.4
85.02910	26.7
87.00833	11.4
91.05503	4.7
93.07025	18.2
95.08067	3.5
95.08617	43.3
97.02882	13.1
99.04451	10.7
100.12742	2.3
105.01876	9.9
105.07027	18.5
107.08614	29.9
109.02882	24.6
109.10167	50.6
114.46653	2.5
117.07008	2.5
119.08604	37.8
121.10146	22.5
122.19724	2.1
123.11729	9.7
127.03898	32.8
129.01897	2.8
131.08575	5.5
133.10170	18.2
135.11685	9.9
143.08595	10.7
145.04997	2.8
145.10133	20.5
147.11652	17.9
149.13284	4.7
155.08562	9.0
157.10146	17.3
159.02823	8.7
159.11771	18.2
161.13278	14.7
163.14867	3.0
167.08623	2.5
169.10129	12.0
171.11687	24.4
173.13229	11.9
175.14896	2.9
181.10039	4.4
183.11720	18.5
185.13284	17.9
185.95996	2.5
187.14854	10.4
195.11707	11.7
197.13245	13.3
199.14818	2.7
201.16383	4.4
207.11662	4.4
209.13272	14.7
211.14819	10.3
213.16377	4.4
221.13290	4.4
223.14801	15.2
225.16388	21.8
227.17957	5.6
235.14795	9.1
237.16432	20.7
239.17882	13.4
241.19576	4.2
247.14642	3.4
249.16370	11.3
251.17996	14.5
253.19545	21.5
261.16342	4.2
263.17862	3.4
265.19507	14.0
267.21143	8.1
269.19098	3.5
275.17795	2.8
277.19577	14.3
279.21106	4.7
291.21021	12.3
292.21851	16.8
293.22644	4.4
317.22519	2.7
319.24072	3.0
345.25604	3.0
401.31931	48.6
419.33035	57.8
429.04306	2.5
437.33905	4.2
443.12729	2.2
443.58615	2.7
461.34418	38.5
479.28827	3.6
479.35275	96.6
497.36331	5.5
667.38428	43.1
685.39581	21.9
727.40814	51.1
745.41681	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04670	2.0
53.03943	2.3
54.44473	1.9
55.01883	2.5
55.05517	5.6
57.07101	1.7
57.13942	1.9
61.02944	2.9
67.05506	21.9
69.03445	22.5
69.07072	17.7
69.79829	1.9
71.05013	2.2
73.02905	2.3
78.22666	1.9
79.05525	4.4
81.03427	23.0
81.07065	37.9
83.08623	4.8
85.02914	39.7
87.00826	16.8
91.05488	10.2
93.07050	24.5
95.08614	57.1
97.02897	14.7
97.44372	2.4
99.04468	14.4
105.01889	10.4
105.07037	36.0
107.08598	41.7
109.02877	24.1
109.10163	56.8
117.07045	3.4
119.08566	48.7
119.63001	2.1
121.10141	27.0
123.11726	11.1
127.03920	35.7
129.01839	3.4
129.07048	2.5
131.08586	17.3
133.10114	30.8
135.11708	19.2
142.85602	2.3
143.08600	13.2
145.04964	8.5
145.10130	48.7
147.02908	3.2
147.11676	29.5
149.13260	15.0
155.08583	2.8
157.10127	25.8
159.02905	9.8
159.11676	38.0
160.44905	2.3
161.09654	2.8
161.13251	21.1
163.14818	5.7
169.10141	14.5
171.11685	37.5
173.13235	39.5
175.14847	23.1
175.47568	2.2
177.12726	2.5
179.14308	2.5
181.10075	4.9
183.11755	20.5
185.13280	21.3
187.14835	44.7
189.16399	15.8
195.11746	13.4
197.13208	16.3
199.14822	19.2
201.16411	17.9
203.18015	3.6
205.15948	3.6
207.11719	4.4
209.13272	10.2
211.14844	14.1
213.16373	34.5
215.17975	11.0
217.15787	18.0
221.13329	2.9
223.14778	11.9
224.15460	3.1
225.16341	16.3
227.17934	12.6
229.19313	2.6
230.05688	2.4
231.04865	3.1
231.17422	22.4
235.14940	6.4
235.16994	19.6
237.16290	16.4
239.17984	16.2
241.19347	5.3
245.19052	2.7
247.14737	3.9
249.16281	4.4
250.17261	2.5
251.17929	13.1
253.19484	14.5
257.19031	4.5
265.19516	10.1
267.21088	4.1
277.19592	15.0
279.21005	9.7
283.20490	2.6
289.05292	3.6
291.20953	8.0
292.21872	9.9
293.22632	5.2
319.24313	3.2
345.25793	3.3
361.28812	13.5
400.52060	2.8
401.32068	36.6
419.28009	3.4
419.33160	82.8
437.33875	10.7
461.33990	36.6
463.35434	2.9
479.35178	78.0
497.36160	23.2
667.38702	25.6
685.39069	15.6
701.41315	3.8
709.38617	5.0
727.40546	39.4
745.29053	4.3
745.41461	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
67.30490	1.3
68.47947	1.2
83.52400	1.5
92.21258	1.7
103.05480	9.6
105.07037	7.2
112.13434	1.3
115.45778	1.5
117.03366	6.3
119.04932	7.6
131.04953	42.8
133.06502	12.0
137.05971	8.6
145.02861	52.9
146.07300	6.3
147.04424	21.9
149.06009	8.4
156.29198	1.6
161.05989	19.9
163.07561	14.9
177.05473	100.0
179.07106	2.0
187.07582	1.5
190.89218	1.4
199.07524	6.7
211.07524	2.2
219.08081	8.2
233.05972	2.7
247.07527	2.5
259.07602	6.5
263.10867	1.7
277.08655	2.3
291.10208	14.5
323.09109	23.3
323.12808	11.7
332.78070	1.7
373.12717	2.5
459.50412	1.9
517.18207	2.2
538.59753	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	746.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69970	0.6
74.87710	0.6
89.03912	1.3
91.05493	1.2
92.21197	0.7
93.85889	0.6
99.50424	0.6
103.05477	21.9
105.07040	13.1
115.05446	1.0
117.03362	4.7
119.04929	3.1
131.04935	100.0
133.06505	16.7
135.04457	0.8
137.06003	4.2
143.06006	1.1
144.28728	0.6
145.02853	42.6
146.07278	0.8
147.04405	9.0
149.06013	2.8
159.07892	0.7
161.05980	27.8
163.07533	30.9
177.05470	83.5
179.07080	1.4
187.07597	0.7
199.07565	2.4
231.08147	0.9
259.07529	1.0
291.10150	5.2
323.09140	2.8
323.12766	4.4
355.07880	0.7
355.11621	5.4
373.12747	3.8
517.18475	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	746.5045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	11.3
57.03449	10.5
57.07087	7.8
60.89649	0.9
61.02928	1.4
62.94324	0.9
66.58955	0.8
67.05511	26.6
69.03442	1.0
69.07070	29.6
71.04983	1.6
71.08636	7.4
76.66191	0.8
79.05505	9.7
80.83036	1.0
81.07065	70.2
83.04972	6.5
83.08628	27.6
85.02901	1.5
85.06554	4.9
85.10181	1.8
91.03902	1.1
91.05484	14.8
92.21469	1.4
93.07052	10.0
95.08616	36.1
96.89418	1.1
97.06550	7.8
97.10175	14.6
99.08092	6.9
105.07037	23.9
107.08611	15.9
109.06529	2.4
109.09476	1.3
109.10153	11.5
111.08099	1.4
111.11749	2.3
113.05996	1.3
119.08580	19.7
121.10151	28.8
123.08074	5.9
123.11723	39.1
125.13232	1.2
127.07590	3.7
131.08662	1.1
135.11728	10.0
135.13031	0.9
137.13235	1.9
147.11690	93.8
149.13268	5.9
151.14828	1.1
157.10135	2.1
164.67313	1.0
165.12741	38.7
165.14043	2.0
175.11134	1.8
183.13794	1.4
193.12199	1.2
229.14349	3.6
257.53000	1.2
265.25165	1.9
267.15903	72.6
285.16959	77.5
339.28958	79.1
357.30078	1.2
498.28519	1.2
549.41522	100.0
567.42023	2.2
619.57214	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	747.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
83.33722	1.2
86.76506	1.1
112.90186	1.1
133.08656	1.3
134.05986	1.4
135.24846	1.4
149.97667	1.3
178.05080	1.4
188.49680	1.1
275.98953	1.4
283.14221	2.1
294.32028	1.4
297.12277	1.4
337.75577	1.5
367.72858	1.3
388.16553	1.2
398.15103	2.2
413.17197	1.5
414.17923	5.0
428.16309	1.6
436.18558	5.5
441.16815	2.2
458.17249	1.9
464.21780	2.2
474.19833	1.5
489.19290	1.8
503.20428	1.6
505.22406	1.7
515.20844	1.5
519.24078	1.9
521.22076	2.0
531.20288	2.6
532.20935	1.5
535.23303	2.7
547.23376	2.9
551.26172	2.4
563.23065	8.9
567.25568	6.1
578.24799	5.5
579.26105	32.8
593.20178	1.3
595.25519	38.2
610.27466	5.6
623.24731	2.2
665.25671	2.7
697.28711	64.0
715.29712	100.0
747.30798	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	747.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03217	0.6
53.17347	0.7
57.03445	1.6
57.24753	0.8
61.02925	5.4
67.05515	4.0
68.22974	0.8
69.03429	1.8
69.07059	0.9
73.02915	3.4
79.05482	1.4
81.03432	1.5
81.07069	6.3
85.02914	4.8
91.03973	4.4
91.05487	1.1
93.07035	1.4
95.08603	1.9
97.02904	4.9
99.04469	0.9
101.02399	1.2
105.07015	1.4
105.70045	0.9
107.38084	1.0
119.08559	1.4
123.11734	1.3
127.03960	1.1
133.79683	0.9
144.64119	0.8
147.11734	5.7
164.14351	0.9
165.12730	0.9
185.04143	1.0
243.08458	3.4
251.12717	1.1
333.77258	1.0
469.20438	11.8
519.29889	3.5
747.42828	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.7
55.05505	1.7
61.02932	4.8
67.05509	1.8
69.03443	3.2
69.07068	1.0
73.02914	1.8
77.71588	0.8
79.05500	1.5
81.03448	1.3
81.07082	5.9
85.02927	3.8
91.03944	3.4
91.05493	1.3
93.07034	1.3
95.08620	1.5
97.02898	3.6
101.02414	1.0
105.07050	1.5
106.30228	0.8
107.08599	2.0
109.10187	0.9
119.08601	1.5
121.10152	3.4
123.11720	3.4
127.03899	0.9
147.11664	6.5
165.12804	1.2
243.08379	1.8
251.12578	1.1
269.12289	2.0
287.13556	1.0
469.20294	12.1
519.29346	1.2
549.46979	1.0
715.29730	1.6
747.42780	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	751.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39702	0.3
57.03428	0.3
57.07084	19.7
66.92851	0.4
69.03426	2.2
71.17996	0.3
74.13470	0.3
81.03414	4.7
81.63921	0.4
83.37705	0.4
85.02918	3.3
85.66483	0.4
85.98769	0.3
92.21505	0.4
97.02904	2.9
99.11723	1.8
109.02878	2.4
114.50482	0.4
125.91138	0.4
127.03934	0.6
127.11217	0.5
135.50938	0.4
145.12225	0.8
164.81903	0.4
222.86694	0.4
231.69533	0.4
257.38275	0.4
271.15369	2.9
284.12592	0.4
289.16473	2.1
301.07065	100.0
335.26880	0.5
589.23212	3.7
777.98254	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	752.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32320	0.1
57.03449	0.6
57.38602	0.1
60.29598	0.1
64.34570	0.1
75.04483	0.6
79.04285	0.1
83.06258	0.1
95.04991	1.0
105.07013	0.2
107.04955	8.2
117.07011	0.3
119.04891	0.1
131.08563	0.2
133.06522	0.6
135.08054	100.0
145.06474	0.6
145.10112	0.7
147.08031	0.5
147.14610	0.1
155.08540	0.3
159.08037	0.2
161.09589	1.7
173.09612	13.2
189.09084	0.2
191.10661	2.2
200.75864	0.1
209.11720	61.0
308.97256	0.1
341.17477	0.5
399.21606	0.2
567.29523	20.2
600.88007	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	752.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	1.2
55.35675	0.8
67.05169	1.0
67.05506	11.3
67.17004	0.7
69.03431	1.5
69.07081	5.5
79.05492	1.9
81.03426	3.4
81.07066	15.0
83.04981	5.1
85.02916	5.4
85.06553	1.1
87.00832	3.8
91.05466	1.7
93.07043	9.7
95.04990	1.1
95.08614	12.5
97.02905	1.2
97.06498	1.6
97.10201	0.9
99.08087	4.1
105.01850	3.2
105.07030	11.8
107.04990	1.3
107.08587	16.6
109.02863	3.5
109.06526	1.4
109.10159	57.7
119.08583	16.3
121.06529	1.7
121.10165	11.1
123.08089	3.2
123.11716	1.5
125.09656	1.0
127.03918	6.2
131.08580	4.3
133.06491	11.3
133.10139	13.0
135.04417	6.0
135.08029	10.0
135.11700	4.5
137.09592	1.3
137.13370	0.9
143.08545	3.9
145.10132	10.3
147.08063	1.7
147.11673	10.9
149.05994	16.4
149.09621	4.1
149.13281	5.1
151.07555	3.3
151.11131	0.9
155.68726	0.9
157.08936	0.8
157.10126	5.1
159.08076	5.8
159.11679	13.3
161.09604	5.1
161.13208	10.5
163.07526	1.6
163.11108	1.5
163.14845	0.9
169.10133	4.4
171.11720	5.8
173.09642	6.5
173.13255	7.9
175.11162	8.7
175.14807	19.0
177.09117	3.6
177.12735	1.5
183.11725	3.4
183.91330	0.9
185.13220	8.2
187.11208	5.7
187.14825	10.1
189.12729	4.0
195.11700	1.4
197.13255	1.9
199.11305	0.9
199.14822	5.0
201.12764	3.4
201.16296	1.7
203.14299	9.3
209.13235	1.6
211.14812	6.0
213.12775	3.7
213.16418	2.0
215.14305	39.3
221.13303	1.0
223.14833	1.3
225.12943	1.1
225.16473	3.6
227.14371	0.9
227.17972	1.8
229.15891	3.2
231.04950	1.2
233.15312	8.6
235.14650	1.0
237.16180	1.1
239.14384	1.5
239.17909	1.4
241.15941	3.3
243.17308	1.4
245.15791	0.9
253.15918	1.8
255.17488	1.7
257.19141	1.0
259.16751	1.0
265.19427	3.2
267.17465	1.5
269.18863	1.2
286.55722	0.9
295.20642	1.5
307.20630	3.5
335.23703	1.0
349.25269	1.5
351.23206	4.1
353.24615	1.7
365.24573	1.5
375.26868	1.7
377.24536	3.3
391.25909	1.5
393.28085	9.2
395.25644	1.8
415.29938	8.6
433.31061	71.6
451.32068	100.0
469.33102	13.7
492.14093	1.1
663.34668	1.6
681.36462	6.6
699.37006	5.7
752.41699	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	753.31
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26661	0.7
57.49873	0.8
59.98271	0.8
63.43172	0.7
67.50909	0.8
68.67657	0.8
68.88999	0.9
81.03414	1.1
92.20922	1.1
184.87157	1.0
211.71497	1.1
485.20065	1.0
488.77060	1.0
543.20337	2.7
557.22260	1.1
571.23212	7.5
587.22260	1.3
599.21808	1.3
615.21863	1.5
657.23334	1.4
689.25635	4.4
721.28430	100.0
753.31750	7.0
754.44971	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	753.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06455	2.6
62.11161	2.5
62.16754	2.6
67.05518	29.5
68.46025	2.7
69.07058	6.0
75.24380	2.7
79.05489	5.1
81.07054	17.4
83.04975	3.1
86.09716	4.2
93.07045	5.6
95.08607	16.2
97.06540	4.1
105.07050	3.7
107.08603	21.7
109.06516	3.1
109.10166	83.6
119.08581	5.5
121.06559	6.5
121.10201	6.4
123.11732	11.3
125.09619	4.4
131.08644	2.9
133.10124	17.3
135.08080	11.4
145.10130	5.2
147.11685	7.1
149.09622	4.4
149.13255	5.5
151.11169	66.0
157.10088	4.7
159.11734	5.6
161.13281	4.8
169.12231	22.8
171.08069	3.2
173.13261	7.1
187.11174	13.3
187.14787	5.3
197.13185	4.2
199.14848	4.4
201.12605	3.9
203.14430	4.4
215.14377	5.9
225.12685	3.3
227.14348	12.1
233.15306	3.6
245.15343	15.5
287.33624	3.2
304.48160	3.4
343.22534	3.5
361.23679	5.7
411.28912	3.9
433.31134	13.9
451.32019	55.0
469.33167	100.0
487.34045	15.6
683.24158	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	754.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45414	1.5
54.02412	1.6
57.00114	1.5
61.07697	1.4
67.05524	3.0
68.44035	1.7
69.03444	2.4
81.07056	8.0
83.04984	1.9
85.02908	3.9
93.07019	3.0
95.08588	12.6
104.75428	1.8
105.07021	10.6
107.05003	2.0
107.08584	11.4
109.02934	1.7
109.10158	29.8
119.08556	14.5
121.10172	3.0
123.11669	2.0
127.03866	3.0
131.08589	4.6
133.06497	8.5
133.10170	3.7
135.04427	9.5
135.11722	3.6
145.10126	16.6
146.34036	1.8
147.11655	7.8
149.05977	15.8
149.13326	3.6
155.52026	2.1
157.10114	3.9
159.08047	2.2
159.11684	11.1
161.13185	4.0
171.11693	3.7
173.09557	2.6
173.13239	3.9
175.11201	10.0
175.14832	8.6
185.13286	3.7
187.11224	3.1
187.14778	20.7
189.12848	2.2
189.16322	2.5
197.13235	2.2
199.14966	2.7
205.15923	2.7
215.14293	27.8
233.15379	21.4
239.17871	3.0
377.28448	3.4
395.29361	11.9
417.31479	9.6
435.32520	41.7
449.53040	1.9
453.33606	100.0
471.33682	2.2
701.38458	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	754.437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.4
57.44372	1.8
67.05522	21.7
69.03422	16.5
69.07068	11.7
71.08618	2.0
78.44236	2.1
79.05502	8.7
81.03400	9.3
81.07061	31.9
83.04995	3.0
83.08593	3.4
85.02886	21.5
87.00838	5.7
91.05489	4.8
93.07024	19.9
95.08609	44.5
97.02869	5.3
105.01832	3.2
105.07040	18.1
107.08597	37.1
109.02864	11.2
109.10161	82.9
117.07053	3.5
119.08585	33.4
121.10139	22.8
123.08108	3.8
123.11720	10.9
127.03900	26.7
131.08553	17.4
131.93646	2.6
133.06496	11.2
133.10101	21.2
135.04417	22.8
135.08026	5.4
135.11687	11.6
145.04990	4.6
145.10109	29.7
147.11676	19.3
149.05986	43.1
149.13243	17.4
155.08603	2.6
157.10129	4.3
159.02834	9.7
159.08020	4.4
159.11662	15.2
161.13248	15.4
163.14928	3.4
169.10106	5.8
171.11635	4.8
173.09622	9.7
173.13248	12.7
175.11150	10.4
175.14778	24.0
177.09142	3.2
177.12776	3.6
177.16437	2.9
183.11646	4.6
185.13191	5.0
185.35429	2.6
187.11101	5.3
187.14825	52.9
189.12852	2.6
189.16373	2.8
197.13353	4.4
199.14871	3.3
201.12820	3.3
201.16245	4.7
203.14508	2.7
209.13286	4.0
211.14835	5.0
213.12708	5.6
213.16440	3.0
215.14291	35.6
215.17786	2.6
217.04549	2.3
223.14778	3.1
225.12735	2.8
229.15941	2.6
233.15276	27.9
239.17941	4.9
241.15875	8.9
249.16451	3.3
255.20724	2.6
267.17371	4.0
269.18906	9.2
271.20755	2.7
281.18869	3.5
293.18845	3.7
295.20560	3.5
309.22214	2.9
317.22531	3.0
327.23404	2.9
335.23788	3.4
352.69077	2.7
353.24786	2.8
355.26437	3.6
379.26074	3.1
395.29407	4.2
397.27374	9.2
417.31458	26.6
435.26703	3.0
435.32568	87.7
437.75436	2.6
453.33685	100.0
645.32153	13.1
683.26715	3.5
683.37848	94.6
701.38806	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	754.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05528	1.9
62.41400	0.9
67.05510	6.4
69.03442	1.3
69.07070	8.8
69.73592	1.1
75.55736	1.0
79.05521	3.7
81.03436	1.2
81.07067	20.8
83.04992	1.7
83.08624	1.5
85.02911	4.6
87.00862	1.5
91.05469	2.2
93.07053	11.2
95.08069	1.7
95.08610	23.5
97.06520	1.5
99.08112	2.7
105.07037	9.6
107.08592	17.4
109.02872	2.2
109.10155	37.6
111.08047	1.9
119.08582	18.9
121.10126	14.6
123.08050	2.4
123.11714	7.6
127.03947	2.5
131.08572	6.6
133.10112	12.6
135.08095	1.7
135.11685	11.0
137.13315	1.9
143.08522	3.7
145.10141	11.0
147.11681	10.8
149.09634	1.5
149.13268	7.8
155.08540	6.1
157.10176	8.7
159.11681	10.3
161.09644	2.6
161.13344	8.2
163.14728	1.6
165.12758	2.2
169.10127	7.5
171.11723	11.4
173.09689	1.4
173.13290	7.9
175.14827	13.2
177.16299	1.3
181.10075	2.4
183.11618	8.9
185.09470	1.6
185.13286	8.7
187.11205	1.9
187.14838	7.8
189.16447	1.4
195.11688	5.0
197.13263	5.9
199.11209	4.4
199.14819	6.5
201.16373	2.6
203.18050	1.5
207.11780	1.6
209.13258	5.8
211.14838	6.3
213.16428	2.2
215.14313	2.3
217.12187	1.3
221.13205	2.2
223.14810	2.7
225.16396	4.9
227.17896	2.2
229.15738	1.8
235.14792	1.4
237.16394	5.1
239.17966	5.1
241.19571	2.0
243.17383	1.7
247.14648	1.2
247.16956	1.5
249.16165	1.6
251.18115	4.1
253.15778	1.6
253.19530	2.4
257.19055	1.8
263.17917	5.3
265.19452	5.0
267.21292	1.3
277.19513	2.4
279.21097	2.1
281.19131	1.5
283.20511	2.1
291.21143	1.5
293.22668	2.1
295.20636	1.5
297.22055	2.6
305.22702	1.7
307.20731	2.3
318.60760	1.3
323.23761	12.5
335.23660	2.9
349.25214	8.8
351.26736	4.6
353.24738	1.9
369.27737	2.7
371.25851	16.0
397.27304	2.5
399.30423	2.8
405.31461	5.6
407.32947	2.3
417.31537	13.8
423.32480	1.6
425.34540	1.7
435.32529	44.2
453.33640	100.0
471.34705	26.4
665.36566	1.9
683.37512	5.0
701.38916	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	754.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	1.2
55.01880	1.2
55.05517	1.7
55.48804	0.8
56.12732	0.8
57.03420	0.9
57.07075	1.5
67.05514	4.5
69.03437	4.5
69.07065	6.6
70.57785	0.9
71.04993	8.5
71.05302	1.1
77.14541	1.0
79.05488	2.6
81.03420	2.1
81.07065	8.5
83.08624	5.6
85.02905	10.8
87.00832	1.8
90.61908	1.0
91.05458	1.2
93.07082	7.9
95.08610	17.3
97.02908	6.2
99.04466	2.4
99.08114	1.1
105.01871	4.1
105.07058	10.1
107.08589	14.6
109.02884	7.1
109.06496	1.5
109.10168	26.8
111.11620	1.2
117.06969	1.5
119.08578	54.1
121.06554	1.3
121.10145	34.4
123.08047	1.8
123.11697	10.4
125.09657	1.3
127.03905	13.8
127.11198	27.2
128.02026	1.1
131.08580	2.5
133.10135	11.4
135.08078	1.7
135.11690	8.9
137.13231	1.5
139.88995	1.3
143.08582	2.1
145.04951	2.1
145.10127	18.5
147.11705	12.6
149.13246	5.8
157.10097	13.1
159.02893	2.5
159.11697	21.0
161.09586	1.9
161.13284	7.4
163.11160	2.2
163.14841	1.3
169.10072	2.2
171.11703	16.7
173.09818	1.1
173.13269	12.0
175.14760	1.9
183.11688	5.0
185.13248	13.2
187.11234	1.6
187.14787	7.6
189.12752	1.4
189.16319	3.9
197.13286	8.0
199.11095	1.4
199.14801	6.2
201.12758	1.3
201.16400	5.4
203.14313	2.6
203.18207	1.2
209.13315	1.7
211.14828	5.9
213.12766	1.4
213.16412	4.0
215.14328	2.2
215.17955	6.1
217.15982	1.5
221.13348	1.4
223.14761	1.9
225.16385	2.5
227.17940	1.4
231.04907	1.2
231.17401	1.9
249.16301	2.2
253.19496	1.9
265.19385	3.8
267.21085	1.3
291.20898	1.2
309.22159	1.4
373.28717	1.5
391.29794	1.9
393.31763	1.8
407.29025	1.7
417.31570	12.3
435.32590	89.6
453.33624	100.0
471.34647	18.2
665.35999	1.1
683.38257	7.2
701.38739	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	754.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
65.01744	2.1
67.05506	11.2
69.03432	4.0
69.07074	4.2
79.05471	4.0
81.03422	3.7
81.07068	25.0
83.04986	2.7
83.08621	2.7
85.02905	14.0
93.07042	10.3
95.08620	18.5
97.02898	3.6
97.10181	3.5
99.04445	2.9
105.01824	2.9
105.07043	10.0
107.08612	20.0
108.21545	2.0
109.02873	13.3
109.10162	62.4
119.08573	21.1
121.10128	13.5
125.09595	4.1
127.03884	16.5
131.08603	2.7
131.43161	2.1
133.10144	13.7
135.08067	4.2
135.11694	8.7
137.09657	3.2
143.08527	3.1
145.04976	3.9
145.10147	11.1
146.02606	2.3
147.11688	18.4
149.13243	3.9
151.11172	2.4
157.10135	10.6
159.11694	12.1
161.09633	2.8
161.13249	9.2
169.10078	2.8
171.11696	8.8
173.13281	12.0
175.14841	9.5
183.11684	4.7
185.13275	10.5
187.14838	9.0
189.12669	2.1
189.16406	4.7
197.13319	3.0
199.14835	9.0
201.16463	2.7
211.14754	3.9
213.16357	4.5
215.14320	3.5
215.17986	2.4
217.15921	11.4
225.16479	3.8
227.18015	3.5
229.15881	4.2
231.17444	2.9
251.18021	2.8
307.20493	5.4
377.28287	13.4
397.27310	2.6
404.04559	2.6
417.31412	33.4
435.32611	100.0
453.33575	43.2
665.36566	3.9
683.36584	3.6
701.37811	11.0
735.63361	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	756.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82437	1.6
53.68382	1.9
55.05513	10.5
57.03432	5.0
57.07085	2.6
58.34444	1.8
67.05512	37.7
69.07085	16.8
71.01295	2.2
79.05496	22.0
81.07056	87.3
83.04975	4.0
83.08618	16.6
83.43204	1.9
85.02948	2.3
85.06570	3.0
90.47211	2.3
91.05483	18.5
93.07040	36.5
95.08598	38.6
97.06542	3.7
97.10205	2.1
99.08119	4.7
105.07035	36.6
107.08592	29.0
109.06507	4.1
109.10159	19.6
109.35808	2.3
119.08593	30.3
121.10132	42.2
123.08098	4.0
123.11699	36.9
127.07594	2.4
131.08612	7.7
133.10132	11.7
135.11693	13.2
137.09546	2.9
141.01848	3.9
145.10107	5.0
147.11687	100.0
149.13263	14.1
157.10100	2.8
159.11655	8.6
161.13254	4.6
163.14711	2.8
165.12735	35.4
173.13261	3.0
175.11125	3.0
181.82977	2.5
193.12299	2.6
229.14388	3.3
243.21109	3.0
261.22113	17.2
267.15894	57.5
285.16983	78.6
290.26984	4.4
294.22183	2.4
335.25793	63.6
353.26797	4.5
461.20648	2.5
527.37280	5.1
545.38409	73.2
563.39093	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	756.452
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51522	2.2
55.05505	3.3
56.38958	2.6
58.83543	2.3
66.60835	2.4
67.05502	17.3
69.03435	2.7
69.07059	14.0
71.28100	2.6
79.05489	3.5
81.03402	3.1
81.07065	17.0
83.08606	10.3
85.02890	6.2
90.03114	2.8
91.05466	3.3
93.07031	12.4
94.99713	2.9
95.08622	28.1
105.01901	2.7
105.07039	15.2
105.38878	2.4
107.08581	23.6
109.02889	4.4
109.10155	61.3
112.60310	2.6
119.08572	22.9
121.10165	18.9
123.11688	10.2
127.03899	2.8
131.08447	3.3
133.10123	17.5
135.08034	5.3
135.11728	6.3
143.08539	3.8
145.10164	13.5
147.11714	14.6
149.13272	11.3
157.10110	6.6
159.11708	14.9
161.13266	15.2
169.10107	2.8
171.08261	2.6
171.11700	17.4
173.13214	11.5
175.11223	4.6
175.14841	5.0
183.11638	4.9
183.87529	3.1
185.13260	5.2
187.11148	5.0
187.14891	9.4
197.13243	3.2
199.14867	11.1
201.16542	3.3
211.14940	4.6
213.16397	5.5
219.09108	2.8
225.16525	3.9
227.17963	3.0
237.16370	4.9
239.17897	3.2
241.51056	2.6
251.17812	2.6
251.35234	2.6
265.19434	3.1
269.18933	4.2
309.22086	3.5
319.00098	3.1
401.32037	9.6
419.33145	45.6
437.28012	3.7
437.34146	100.0
455.35178	26.3
667.37701	4.4
685.39044	14.8
703.40240	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	756.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82437	1.6
53.68382	1.9
55.05513	10.5
57.03432	5.0
57.07085	2.6
58.34444	1.8
67.05512	37.7
69.07085	16.8
71.01295	2.2
79.05496	22.0
81.07056	87.3
83.04975	4.0
83.08618	16.6
83.43204	1.9
85.02948	2.3
85.06570	3.0
90.47211	2.3
91.05483	18.5
93.07040	36.5
95.08598	38.6
97.06542	3.7
97.10205	2.1
99.08119	4.7
105.07035	36.6
107.08592	29.0
109.06507	4.1
109.10159	19.6
109.35808	2.3
119.08593	30.3
121.10132	42.2
123.08098	4.0
123.11699	36.9
127.07594	2.4
131.08612	7.7
133.10132	11.7
135.11693	13.2
137.09546	2.9
141.01848	3.9
145.10107	5.0
147.11687	100.0
149.13263	14.1
157.10100	2.8
159.11655	8.6
161.13254	4.6
163.14711	2.8
165.12735	35.4
173.13261	3.0
175.11125	3.0
181.82977	2.5
193.12299	2.6
229.14388	3.3
243.21109	3.0
261.22113	17.2
267.15894	57.5
285.16983	78.6
290.26984	4.4
294.22183	2.4
335.25793	63.6
353.26797	4.5
461.20648	2.5
527.37280	5.1
545.38409	73.2
563.39093	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	756.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	3.5
63.01814	2.2
67.05505	19.4
69.03431	4.1
69.07063	14.4
69.72872	2.3
79.05485	2.7
80.59466	2.1
81.03416	5.6
81.07056	27.3
83.08643	2.9
85.02903	11.5
87.00822	4.8
91.05498	3.2
92.21058	2.9
93.07024	12.6
95.08598	34.9
97.02920	3.9
105.01833	2.6
105.07040	16.5
107.08600	31.3
109.02872	4.1
109.06512	2.3
109.10159	64.4
109.10892	3.5
111.11797	2.5
119.08562	25.7
121.10133	23.4
122.50153	2.5
123.08037	3.6
123.11706	4.4
127.03920	13.2
131.08553	5.5
133.10107	18.9
135.08023	4.6
135.11694	14.5
143.08644	3.1
145.04927	2.6
145.10129	18.9
147.11693	17.3
149.13258	11.0
155.08672	2.5
157.10094	10.8
159.11684	18.7
161.09602	4.2
161.13248	17.4
163.11115	3.6
163.14813	3.1
169.10117	4.8
171.11658	5.7
173.13255	14.5
175.14810	12.9
181.10155	2.9
183.11722	3.7
185.13274	13.1
187.11169	10.2
187.14862	12.7
189.16347	2.9
197.13298	5.1
199.14825	13.3
201.16417	5.6
203.17978	2.4
211.14687	2.7
213.16330	5.4
215.17970	4.5
217.15813	3.9
223.14677	3.1
225.16460	4.7
227.18132	2.7
237.16447	9.5
239.17953	3.9
241.19507	3.5
243.17619	3.0
250.37930	2.3
251.17874	5.4
255.17513	3.8
257.79498	2.4
291.20947	2.6
309.22119	3.8
353.48013	2.8
401.31918	16.1
419.33051	54.5
437.28818	4.3
437.34219	100.0
455.35040	21.5
667.38354	4.2
685.39667	19.6
703.40704	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	756.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
66.94919	2.8
67.05512	19.2
69.03426	13.1
69.07066	19.7
81.03415	3.8
81.07051	30.1
83.08612	6.8
83.26263	4.1
85.02904	18.7
87.00826	6.0
91.05463	4.9
93.07045	15.0
95.08611	43.9
97.02888	14.3
97.10153	5.2
99.08087	3.9
105.01883	5.1
105.07027	16.7
107.08594	36.8
109.02885	14.9
109.10159	61.7
119.08572	40.7
121.10132	30.0
123.11716	6.6
127.03946	19.8
130.78351	3.5
131.08572	8.5
133.10120	29.8
135.08025	8.2
135.11688	17.2
142.14500	3.4
143.08592	15.0
145.10130	32.5
147.11667	33.3
149.13264	15.4
155.08609	4.7
157.10121	17.1
159.02838	4.8
159.11653	36.4
161.09596	7.2
161.13269	23.5
163.14754	4.9
169.10207	6.8
171.11684	19.7
173.13260	37.6
175.14803	17.0
176.54114	3.8
183.11819	4.5
185.13219	8.4
187.14798	35.2
189.16373	17.6
199.14832	22.4
201.16386	15.3
211.14844	5.5
213.16409	19.6
215.17972	8.7
217.15877	19.4
225.16283	4.7
227.18021	4.8
231.17485	14.5
235.36043	3.9
237.16388	6.7
239.18022	8.4
241.19621	4.5
251.17714	4.3
253.19408	7.7
267.11661	3.6
279.20972	4.7
281.19083	4.7
319.24048	4.2
361.29047	5.4
379.30014	5.8
401.31842	15.1
419.33032	77.0
437.28690	5.9
437.34177	100.0
455.35397	41.6
667.38287	7.7
685.39520	38.5
703.40027	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	757.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.7
55.01879	0.6
57.03444	0.8
60.03958	0.4
60.51968	0.4
66.29436	0.3
67.05504	1.7
68.99785	0.8
69.03433	5.5
69.07078	1.7
70.06596	0.4
71.04977	0.5
71.22436	0.3
73.02917	0.9
81.03435	7.1
81.07060	2.0
83.08609	0.4
84.08134	0.4
85.02908	12.1
87.00826	5.6
87.32818	0.4
92.21558	0.7
93.07042	0.7
95.08601	4.6
96.08947	0.5
97.02899	4.4
99.04456	3.7
105.01879	2.6
105.07041	0.9
107.08594	2.4
109.02877	6.6
109.06465	0.4
109.10157	6.7
110.10517	0.6
117.01877	0.9
119.08603	1.6
121.10146	0.9
123.11719	0.7
127.03910	8.1
129.01854	0.8
131.08617	0.6
133.10127	0.8
135.07979	0.4
135.11681	1.7
136.07660	0.4
137.05986	6.3
145.02881	2.2
145.04959	1.6
145.10162	0.9
146.10458	0.6
147.04428	0.6
147.11710	0.6
149.13264	0.8
153.01819	4.4
157.10179	0.6
158.10419	0.4
159.02846	2.8
159.11690	0.6
161.13246	0.6
163.03922	0.9
163.14812	0.6
164.04704	0.6
164.10931	0.4
167.07034	2.1
171.11646	0.7
175.11238	0.5
177.03909	0.5
177.05458	11.3
177.06906	0.8
178.36557	0.4
180.07745	0.6
185.13258	0.6
191.03409	0.8
195.06525	1.9
195.11705	0.5
199.14706	0.5
208.07385	1.9
223.05939	0.4
223.15013	0.5
231.05086	1.6
236.15228	0.4
237.16505	0.5
245.04440	4.8
257.04126	0.6
269.04260	0.6
273.03949	15.1
285.04059	2.5
287.05444	3.9
297.03989	1.5
297.07324	0.5
301.03421	14.7
301.06635	0.7
302.04230	1.9
311.09021	3.5
313.03357	6.4
326.04108	0.9
328.23990	0.5
329.06488	0.6
337.07062	25.2
341.06604	0.4
342.03729	0.6
353.02927	2.1
357.06125	2.6
379.08121	6.1
385.05771	0.9
389.06577	1.8
417.06061	3.5
419.33105	0.6
420.33359	2.2
421.09180	6.8
431.07605	3.0
434.06244	0.9
435.07220	0.5
437.34113	2.6
438.34491	8.6
449.08575	8.9
455.34952	0.9
456.35355	1.6
462.05942	0.5
477.08139	12.1
509.10785	100.0
627.35712	0.6
636.02985	0.5
668.38757	0.6
686.39777	1.7
704.40015	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57114	0.2
55.01900	0.2
61.42290	0.2
63.94887	0.2
65.03942	1.8
67.05505	0.8
69.03426	0.4
70.00404	0.2
72.19430	0.2
78.41327	0.2
79.55286	0.2
79.64316	0.2
82.01587	0.2
85.02908	0.4
89.03915	0.2
93.03405	2.9
95.04976	0.2
97.02893	28.1
103.62880	0.2
110.03661	0.3
111.04437	0.3
117.03369	2.0
121.02870	1.6
121.03615	0.2
122.03645	0.2
123.04421	0.2
124.05190	0.2
125.05987	0.8
127.03919	0.2
127.56763	0.2
129.06993	1.0
134.03618	0.2
137.05922	0.2
139.03946	0.3
141.07043	0.3
145.02850	15.9
147.04373	0.3
149.02339	5.3
149.05975	0.8
151.03915	1.1
153.01822	0.3
157.06494	3.3
161.05981	0.2
167.03400	15.7
167.04810	0.8
169.06476	1.6
175.07600	0.3
177.05463	40.0
185.05989	1.6
189.05524	0.4
189.09100	5.0
195.04362	0.4
199.07549	3.8
200.04639	0.3
201.09229	0.3
207.06593	0.4
213.05391	0.5
215.06947	0.3
217.08618	4.0
227.06985	3.4
245.08052	3.8
273.07520	0.8
287.05484	100.0
291.08612	13.6
309.09711	2.4
329.06680	1.0
449.10550	0.8
581.71661	0.3
766.16431	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	757.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26451	0.2
59.00206	0.2
83.78006	0.2
85.02905	1.0
89.03935	0.3
92.21082	0.4
93.03387	0.3
97.02895	7.2
98.94191	0.3
117.03372	3.3
121.02902	0.3
133.66425	0.3
145.02846	26.8
148.67903	0.3
149.02316	0.4
149.05963	1.4
167.03389	1.3
175.07568	0.6
177.05460	48.8
189.05443	4.1
215.07036	0.6
217.08672	0.5
226.08875	0.3
227.07114	0.6
273.07513	1.9
287.05484	100.0
291.08603	1.2
291.81314	0.3
309.09647	0.5
329.06546	1.3
386.70215	0.3
449.10709	0.4
482.97037	0.3
509.60687	0.3
536.38049	0.3
658.63055	0.3
721.36627	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	757.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.6
67.05516	0.9
67.10388	0.5
67.22253	0.6
69.03430	15.0
69.07085	0.9
71.05008	5.6
74.74577	0.6
81.07063	1.5
83.08633	0.9
85.06552	1.1
87.79673	0.6
93.07040	0.8
95.08617	3.0
97.02893	100.0
97.10169	2.7
99.08076	0.9
105.06986	1.1
107.08595	9.2
109.10143	6.8
119.08553	2.6
121.10165	2.3
123.11703	3.5
123.37386	0.7
125.09629	8.3
127.11227	1.0
130.58549	0.7
131.08569	1.3
133.10112	2.3
137.02348	4.1
139.03894	3.9
141.12723	5.8
143.08582	1.2
143.10666	17.7
145.10097	1.5
147.11690	2.8
149.13255	1.0
157.04970	11.8
157.10086	1.2
159.11688	3.3
161.13185	0.9
165.01825	3.6
169.10088	0.6
171.11684	1.4
173.13327	1.1
175.14830	1.1
183.02893	7.5
183.11702	1.1
185.13280	3.0
187.14882	0.8
191.74438	0.6
197.13249	0.7
199.14841	1.4
201.03879	3.1
201.16518	0.8
203.14426	0.9
225.16371	0.9
243.04974	6.4
253.19400	1.1
279.21030	1.2
303.07053	4.0
419.33084	7.8
434.93625	0.6
437.34167	9.3
474.97598	0.6
724.29517	0.8
739.39954	2.8
749.06287	0.7
757.40399	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	757.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.6
67.05516	0.9
67.10388	0.5
67.22253	0.6
69.03430	15.0
69.07085	0.9
71.05008	5.6
74.74577	0.6
81.07063	1.5
83.08633	0.9
85.06552	1.1
87.79673	0.6
93.07040	0.8
95.08617	3.0
97.02893	100.0
97.10169	2.7
99.08076	0.9
105.06986	1.1
107.08595	9.2
109.10143	6.8
119.08553	2.6
121.10165	2.3
123.11703	3.5
123.37386	0.7
125.09629	8.3
127.11227	1.0
130.58549	0.7
131.08569	1.3
133.10112	2.3
137.02348	4.1
139.03894	3.9
141.12723	5.8
143.08582	1.2
143.10666	17.7
145.10097	1.5
147.11690	2.8
149.13255	1.0
157.04970	11.8
157.10086	1.2
159.11688	3.3
161.13185	0.9
165.01825	3.6
169.10088	0.6
171.11684	1.4
173.13327	1.1
175.14830	1.1
183.02893	7.5
183.11702	1.1
185.13280	3.0
187.14882	0.8
191.74438	0.6
197.13249	0.7
199.14841	1.4
201.03879	3.1
201.16518	0.8
203.14426	0.9
225.16371	0.9
243.04974	6.4
253.19400	1.1
279.21030	1.2
303.07053	4.0
419.33084	7.8
434.93625	0.6
437.34167	9.3
474.97598	0.6
724.29517	0.8
739.39954	2.8
749.06287	0.7
757.40399	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	758.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35865	2.1
55.72551	2.3
56.68389	2.3
57.07077	3.1
59.80251	2.3
67.05506	12.3
69.03423	9.6
69.07072	10.8
71.04985	16.9
71.08611	2.3
81.03418	5.2
81.07052	17.9
83.08627	6.4
85.02917	25.4
87.00814	6.0
91.05479	4.2
93.07033	10.9
95.04993	2.9
95.08600	43.7
97.02899	14.4
97.06546	2.8
97.10160	5.8
105.01878	6.2
105.07024	5.4
107.08585	24.6
109.02898	6.3
109.10162	100.0
119.08572	23.7
121.10139	21.0
123.11712	26.1
125.09637	2.9
127.03886	15.2
127.11200	56.1
129.06995	2.6
131.08553	11.5
133.10156	19.4
135.11670	13.0
137.13232	11.1
141.12703	4.0
143.08548	6.2
143.10669	3.4
145.04964	3.3
145.10097	27.4
147.11682	20.7
149.13246	12.4
157.10117	13.5
159.02887	4.7
159.11682	21.7
161.13318	18.6
163.14700	4.3
171.11661	17.9
173.13290	20.6
175.14824	11.6
175.24446	2.7
183.11670	4.6
185.13246	37.0
187.14764	21.1
197.13252	5.2
199.14801	16.7
201.16382	16.2
203.14314	3.6
211.14810	5.4
213.16391	4.8
215.17938	4.8
225.16373	6.4
227.17894	12.0
227.98648	2.5
239.17931	4.3
251.17816	3.6
253.19508	10.2
256.64886	3.0
267.20938	4.3
281.22635	3.6
295.24231	3.2
351.62164	2.9
403.33475	4.8
421.34705	89.1
439.35641	73.3
455.35147	5.3
457.36688	26.5
655.00513	2.8
669.39563	4.3
687.41388	17.8
705.40894	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	758.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	10.8
55.13135	1.3
57.03432	9.1
57.07068	2.1
57.12637	1.4
61.21375	1.4
67.05508	41.8
69.07069	28.1
69.28767	1.2
75.32700	1.3
79.05487	14.0
81.07059	89.9
83.04976	6.9
83.08625	20.8
85.02926	2.6
85.06543	2.5
91.05476	18.9
93.07041	15.9
95.04977	2.1
95.08606	53.4
97.06499	5.3
97.10175	5.9
99.08092	3.4
105.07018	28.9
107.08592	18.3
109.06511	3.0
109.10168	16.6
111.08046	2.0
111.11751	1.8
119.08581	29.9
121.10130	33.8
123.08062	6.9
123.11694	46.5
127.07571	8.2
131.08556	2.1
133.10150	8.6
135.11705	2.2
137.13275	7.4
141.01822	6.4
147.11678	100.0
149.13268	2.7
153.91216	1.4
161.13228	2.0
165.12729	40.2
175.11172	2.5
175.14827	3.3
218.12628	1.7
229.14371	2.9
245.22618	2.4
251.90543	1.6
263.23706	7.6
267.15881	61.6
285.16956	74.9
336.31888	1.6
337.27356	61.4
547.31464	3.0
547.39935	78.3
565.40320	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	759.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.20102	0.5
63.57608	0.5
72.13903	0.5
98.90827	0.5
117.37811	0.6
131.21341	0.6
243.04831	4.1
245.06357	1.2
247.86934	0.6
254.03383	0.8
287.03952	0.9
289.05344	5.1
300.76163	0.7
334.99982	0.7
475.31812	0.8
493.32837	6.4
511.34015	4.1
553.34576	0.8
655.38135	14.9
673.39185	9.3
679.38208	1.2
697.39252	23.6
715.40186	29.9
741.38312	6.5
759.39215	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
54.67578	1.4
57.90216	1.4
67.05510	3.4
67.42030	1.5
69.03445	4.0
69.12149	1.3
79.05522	3.3
81.03440	8.1
81.07069	6.2
85.02924	10.7
87.00825	2.2
95.08600	6.2
97.02915	7.9
98.97611	7.7
99.04425	2.0
101.81577	1.6
105.07048	2.6
107.08630	9.9
109.02868	2.8
109.10181	6.5
114.09185	2.1
116.98652	2.1
119.08603	2.7
121.10206	2.0
125.09669	1.5
127.03899	12.8
131.08650	1.7
133.10173	3.5
135.11687	1.9
145.10149	2.9
147.11751	2.9
157.10115	1.9
158.99641	13.4
159.11472	1.7
171.11728	7.0
173.01190	2.5
177.00771	8.2
191.02254	2.0
219.01874	9.7
237.02907	8.4
239.18059	2.4
249.16513	2.0
251.52139	1.6
253.19595	4.0
265.80386	2.0
318.84521	1.9
417.31812	7.2
435.32767	7.3
477.34079	3.9
495.31125	18.2
511.31558	2.0
513.32697	6.6
519.31781	5.8
529.32019	6.8
531.33612	2.5
537.32813	9.5
555.33704	8.5
573.34741	7.5
630.36481	1.8
675.38019	13.0
683.37024	2.2
717.39014	66.0
743.39929	6.7
761.24713	4.1
761.38812	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
78.16234	0.5
92.20890	0.6
95.08622	0.7
109.10186	0.8
114.09151	3.8
120.15813	0.5
120.83142	0.5
140.83636	0.5
154.17975	0.6
185.04153	0.7
227.05190	0.7
243.04683	5.6
245.06401	3.4
245.68471	0.6
271.04327	0.9
287.03812	2.7
289.05225	6.0
411.19995	1.0
425.12167	0.6
453.21170	3.7
477.33386	2.6
495.34808	2.2
621.38068	1.9
639.38666	6.2
657.39905	3.5
663.38812	2.0
669.56769	0.6
675.41388	1.1
681.39783	16.8
699.40692	9.5
717.41809	5.6
725.39392	4.5
743.39923	12.3
761.40845	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11446	1.7
55.05506	2.0
62.18559	1.7
67.05523	15.8
69.03418	3.4
69.07076	13.6
69.33320	1.8
79.05487	3.4
81.07067	27.7
85.02911	4.0
91.05481	2.6
92.21284	2.7
93.07053	19.9
95.08612	37.5
96.53847	2.0
99.08076	3.0
101.58932	1.7
105.01814	2.1
105.07027	10.0
107.08589	26.7
109.06523	2.7
109.10165	56.6
110.51427	1.9
117.07040	2.0
119.08585	33.5
121.10118	20.2
123.08070	2.3
123.11711	10.3
125.09641	2.8
131.08516	6.3
133.10141	19.5
135.08035	2.9
135.11697	12.9
143.08585	3.1
145.10107	19.0
147.08031	3.1
147.11705	17.0
149.09622	2.4
149.13240	8.6
155.08551	2.1
157.10133	4.6
159.11705	13.2
161.09621	3.1
161.13246	4.6
169.10170	7.5
171.11687	9.3
173.09613	3.4
173.13261	13.0
175.11156	3.4
175.14793	17.7
183.11745	4.6
185.13243	3.6
187.14830	11.8
195.11656	3.4
197.13260	4.4
209.13199	4.1
211.14934	2.3
223.14853	2.7
225.16400	10.2
237.16364	2.8
239.14339	2.8
239.17949	7.3
241.15819	7.1
251.17924	3.4
267.17526	3.2
269.19104	3.5
379.26474	2.3
397.27411	10.8
417.31454	25.6
435.32648	32.0
477.33585	48.0
489.78067	2.3
495.34698	100.0
619.76880	2.5
747.08514	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	761.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	5.5
57.03433	3.3
57.07071	2.0
61.02935	3.1
65.16380	2.0
67.05503	21.2
69.03439	19.6
69.07072	15.0
71.04993	3.0
79.05487	5.3
81.03416	10.8
81.07070	24.1
83.04965	2.4
83.08610	2.5
85.02906	53.6
87.04469	5.6
91.05481	3.8
93.07038	19.1
95.08614	40.6
97.02892	20.3
99.04466	3.4
103.04051	2.7
104.56161	2.5
105.07034	28.2
107.08604	32.8
109.02916	5.2
109.10159	55.8
117.07014	5.6
119.08579	42.3
121.10149	25.9
123.11717	11.7
127.03960	21.8
131.08534	18.1
133.10155	28.2
135.08072	2.7
135.11687	10.8
137.56168	2.6
143.08563	12.2
145.05058	4.0
145.10136	30.8
147.11717	22.3
149.13289	5.5
154.64406	2.2
157.10127	28.0
159.11684	31.6
161.09598	3.0
161.13307	21.0
163.14900	3.3
169.10144	12.2
171.11667	27.4
173.13234	25.6
175.14772	15.0
177.09825	4.5
183.11694	12.5
185.13234	21.6
187.14836	23.0
189.16409	11.1
195.11682	5.5
197.13223	15.3
199.14827	29.0
201.16409	11.2
207.11626	2.6
209.13280	5.5
211.14818	12.5
213.16399	32.6
215.17885	5.3
217.15865	9.9
221.13461	2.5
223.14813	11.0
223.38898	2.5
225.16315	8.5
227.17986	12.2
231.17349	4.7
237.16370	12.5
239.17958	10.7
241.19559	3.6
244.52524	2.5
247.14853	3.1
249.16328	4.2
251.17918	12.7
253.19469	10.7
263.17981	3.2
265.19501	12.6
267.20877	4.1
277.19492	5.2
291.21176	3.9
305.22510	3.1
309.22092	2.8
319.24435	2.8
337.25278	3.0
361.28546	3.8
401.32059	38.3
419.33109	100.0
437.34131	54.7
455.34308	3.1
563.36920	3.5
581.38403	54.5
599.39380	45.2
642.13898	3.4
692.46899	2.6
743.42963	9.2
761.44824	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	761.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66507	1.0
57.09464	1.1
72.04512	8.4
74.06078	2.5
76.05133	35.6
86.95003	1.3
92.74055	1.5
95.08601	1.4
102.05532	2.4
107.08631	1.4
118.05024	18.6
131.09283	2.2
158.05609	1.6
159.08751	4.7
160.07162	35.3
177.09827	100.0
285.11826	2.0
295.00278	1.3
303.12750	1.7
356.71375	1.3
358.56375	1.3
491.76794	1.7
554.99048	1.5
761.50323	21.8
778.23413	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	762.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06611	27.2
62.48743	0.3
71.92968	0.3
72.08164	0.4
75.56506	0.3
77.82480	0.3
84.08146	9.4
91.70537	0.3
93.18556	0.3
95.04964	1.6
95.85037	0.3
100.07630	0.5
102.09187	17.4
107.04966	7.8
107.95811	0.4
135.08063	100.0
145.02798	0.5
145.06461	0.5
147.08043	0.4
161.09645	1.6
173.09631	13.1
191.10675	6.6
209.11731	25.4
343.15451	1.8
375.29611	0.4
402.22763	0.7
404.24359	16.4
444.27582	1.6
762.42120	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	763.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	5.4
66.38487	4.0
67.05508	27.4
69.03429	6.4
69.07080	26.5
79.05484	5.3
81.03432	4.4
81.07061	34.5
85.02908	15.1
91.05480	4.8
92.91653	3.9
93.07041	24.6
93.24948	3.7
95.08616	51.8
97.02901	8.7
97.10194	4.8
105.07067	28.6
107.08599	45.1
109.02869	4.3
109.06519	4.0
109.10163	100.0
119.08595	61.4
121.10126	37.4
123.11674	6.3
125.28661	3.5
127.03939	6.9
131.08568	15.9
133.10136	39.7
135.08054	4.7
135.11710	16.1
140.09082	3.6
143.08559	9.1
145.10114	41.5
147.11717	30.5
149.13266	6.4
157.10124	31.9
159.11720	35.5
161.13228	19.9
169.10130	17.4
171.11708	32.2
173.13252	30.0
175.14841	7.1
183.11708	19.1
185.13284	20.5
187.14856	20.6
197.13303	15.2
199.14781	22.5
201.16391	9.0
209.13327	7.6
211.14853	8.1
213.16414	20.5
215.17989	5.8
217.16034	6.2
221.13187	4.2
225.16412	16.3
227.17860	14.5
237.16402	5.4
239.17958	16.8
241.19531	16.4
251.17912	7.5
253.19495	7.8
254.19843	4.7
265.19333	3.8
267.20947	6.9
277.19553	5.0
279.20978	7.2
293.22400	7.4
401.31879	26.4
402.32022	6.0
405.27023	5.6
419.33194	72.4
420.33340	16.8
437.34100	31.7
461.34232	17.9
479.35037	80.0
480.35410	9.6
497.36172	90.8
515.37415	12.7
592.39465	8.2
667.38556	4.5
668.38367	6.8
727.40039	4.4
745.41205	21.3
746.41620	8.0
763.42017	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	763.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	5.4
66.38487	4.0
67.05508	27.4
69.03429	6.4
69.07080	26.5
79.05484	5.3
81.03432	4.4
81.07061	34.5
85.02908	15.1
91.05480	4.8
92.91653	3.9
93.07041	24.6
93.24948	3.7
95.08616	51.8
97.02901	8.7
97.10194	4.8
105.07067	28.6
107.08599	45.1
109.02869	4.3
109.06519	4.0
109.10163	100.0
119.08595	61.4
121.10126	37.4
123.11674	6.3
125.28661	3.5
127.03939	6.9
131.08568	15.9
133.10136	39.7
135.08054	4.7
135.11710	16.1
140.09082	3.6
143.08559	9.1
145.10114	41.5
147.11717	30.5
149.13266	6.4
157.10124	31.9
159.11720	35.5
161.13228	19.9
169.10130	17.4
171.11708	32.2
173.13252	30.0
175.14841	7.1
183.11708	19.1
185.13284	20.5
187.14856	20.6
197.13303	15.2
199.14781	22.5
201.16391	9.0
209.13327	7.6
211.14853	8.1
213.16414	20.5
215.17989	5.8
217.16034	6.2
221.13187	4.2
225.16412	16.3
227.17860	14.5
237.16402	5.4
239.17958	16.8
241.19531	16.4
251.17912	7.5
253.19495	7.8
254.19843	4.7
265.19333	3.8
267.20947	6.9
277.19553	5.0
279.20978	7.2
293.22400	7.4
401.31879	26.4
402.32022	6.0
405.27023	5.6
419.33194	72.4
420.33340	16.8
437.34100	31.7
461.34232	17.9
479.35037	80.0
480.35410	9.6
497.36172	90.8
515.37415	12.7
592.39465	8.2
667.38556	4.5
668.38367	6.8
727.40039	4.4
745.41205	21.3
746.41620	8.0
763.42017	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	763.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.42501	0.3
64.76717	0.3
70.06607	0.4
74.89418	0.3
79.69986	0.4
84.93067	0.4
94.92625	0.4
96.17511	0.4
98.48512	0.4
107.08645	0.5
109.10176	1.5
112.94732	0.4
119.08598	0.6
121.10146	0.4
133.10127	0.6
159.11755	0.4
159.43976	0.4
185.04231	0.6
201.16473	0.4
210.85825	0.4
227.05302	0.6
229.03258	0.9
245.06296	5.2
271.04346	0.9
289.05307	12.9
306.30078	0.4
315.25949	0.4
328.45859	0.4
448.45813	0.5
497.36118	1.9
515.37421	0.9
546.23431	0.5
677.42267	2.0
684.09650	0.5
701.42145	1.6
719.43353	9.0
763.42377	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.3
55.05519	1.2
61.04075	1.8
67.05512	2.0
69.03434	7.3
69.07065	2.0
70.06623	1.2
71.05024	1.3
72.08184	1.2
73.31950	1.0
81.03422	2.4
81.07064	2.5
82.57236	1.1
84.08167	1.1
85.02904	8.6
87.00849	1.6
87.56855	1.0
95.08628	7.1
97.02910	5.8
98.09715	6.1
99.04461	2.2
99.70692	0.9
103.95071	0.9
105.01882	1.4
105.07057	1.3
107.08633	6.5
109.02914	6.5
109.10157	26.6
115.14379	1.1
117.40191	1.3
119.08625	5.6
121.10170	5.3
123.11730	2.1
124.52792	1.3
126.12794	12.4
127.03930	10.3
127.11246	1.3
133.10162	2.4
135.11722	2.1
145.04990	2.0
145.10121	1.9
147.11736	2.7
157.10173	2.0
157.71352	1.2
159.02977	2.6
159.11743	2.3
161.13284	2.8
163.14915	1.8
169.13417	1.1
171.11711	2.0
173.13304	2.3
175.14856	1.9
187.14893	3.8
197.13248	1.6
201.12691	2.3
203.14326	1.3
215.14346	2.2
223.22849	1.3
241.80249	1.1
317.85266	1.2
368.91699	1.2
436.35736	2.7
454.37091	2.7
479.36316	1.5
763.43781	100.0
783.09827	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	763.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
55.05527	0.8
57.03452	0.5
57.06176	0.5
57.75043	0.4
61.04061	1.2
64.89732	0.5
67.05510	3.7
67.15807	0.5
69.03440	6.3
69.07063	3.1
70.06590	0.8
71.05013	1.3
72.08157	1.2
73.02927	0.7
79.05516	0.8
81.03419	5.7
81.07056	4.7
85.02931	6.0
87.00842	2.6
92.20901	0.7
93.07046	2.7
95.04997	0.6
95.08597	6.3
97.02900	3.9
98.09692	6.5
99.04478	2.5
99.89306	0.6
105.01862	1.0
105.07044	2.7
107.08617	6.5
107.09287	0.8
109.02891	8.6
109.10160	23.9
113.07134	0.8
115.08727	0.7
117.07075	0.7
118.75477	0.6
119.08599	4.8
120.82896	0.5
121.06539	0.7
121.10142	4.8
122.23843	0.6
123.11723	2.7
124.11216	0.9
126.12782	10.0
127.03927	11.0
127.11225	1.3
131.08607	1.0
133.10152	4.3
135.11688	4.8
141.10242	0.6
143.08560	0.9
145.05034	2.4
145.10139	3.0
147.11740	4.9
149.09663	0.9
149.13309	3.6
157.10173	2.8
159.02921	3.1
159.11682	4.2
161.13225	4.2
163.14888	0.7
169.13341	1.3
171.11690	2.5
173.09744	0.6
173.13278	5.0
175.14772	2.0
183.11723	2.1
185.13264	2.3
187.11259	1.2
187.14899	2.7
189.12819	0.7
197.13318	1.3
197.71405	0.6
199.14865	1.3
201.12706	4.3
201.16441	0.9
203.14388	2.2
211.14880	0.7
213.16504	0.9
215.14374	3.3
217.19473	4.0
227.17947	0.7
234.22336	0.7
311.23404	1.1
313.98416	0.6
351.02011	0.6
379.18539	0.7
436.35828	4.7
454.36841	6.0
462.33871	1.2
479.36557	0.7
482.51230	0.7
717.85126	0.6
719.44751	0.7
736.32544	0.7
763.43707	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.3
57.07082	2.9
65.63437	0.3
69.03428	1.9
81.03421	2.6
85.02924	2.6
85.06523	1.6
87.00829	0.8
97.02892	49.3
99.04453	0.7
109.02859	2.2
127.03909	2.7
159.02878	0.7
161.14920	0.3
196.80676	0.3
217.10701	1.6
225.91054	0.4
286.04654	0.4
301.07050	100.0
313.07086	0.5
351.08997	0.4
517.16888	0.5
544.84418	0.4
549.12445	6.5
643.89838	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	765.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	1.1
57.03442	0.8
61.04064	3.4
67.05517	4.5
69.03433	5.3
69.07076	3.1
70.06587	1.3
71.04989	0.9
72.08159	3.2
73.02895	0.7
79.05505	2.7
81.03418	5.2
81.07071	4.0
84.08145	0.8
87.00848	2.4
90.71576	0.7
93.07044	3.0
95.08608	7.6
97.02905	3.9
98.09686	10.0
99.04474	3.2
105.01891	2.6
105.07049	4.7
107.08595	7.1
109.02902	5.6
109.10159	25.0
113.07147	0.8
115.08701	0.9
117.06993	0.9
119.08591	7.8
121.10157	5.0
123.11710	4.6
124.11246	1.5
126.12788	17.5
127.03915	9.9
127.11179	1.0
129.07072	0.7
131.08569	1.2
133.10124	6.7
135.11693	6.2
135.91080	0.6
138.12755	0.6
141.10213	1.5
143.08592	2.7
145.05009	0.8
145.10164	3.5
147.11676	5.7
149.13293	5.6
152.10742	0.7
156.09314	0.7
157.10162	3.7
159.02924	2.5
159.11684	5.4
161.13281	5.4
163.14882	1.0
169.13377	3.9
171.11722	2.9
173.13287	4.3
175.14873	3.1
183.11745	1.0
185.13252	6.8
187.14857	4.5
197.13284	1.5
199.14795	5.8
201.16458	2.8
203.14342	0.8
203.18015	3.2
211.14890	1.5
213.16434	1.0
215.18069	1.0
217.19621	3.1
225.16447	0.9
237.16502	1.0
239.17992	0.9
265.19568	0.8
293.22849	0.7
294.23456	0.9
295.24423	1.1
402.58871	0.7
403.33804	0.9
420.36267	3.4
421.34903	1.2
434.57483	0.7
438.37323	2.6
456.38477	1.3
463.36948	1.3
649.28571	0.7
765.45270	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.7
58.06605	1.3
59.40995	0.9
61.04053	5.6
61.98309	0.9
67.05514	12.8
69.03433	4.9
69.07072	3.6
72.03456	1.0
72.08160	1.4
73.02921	1.3
81.03428	7.3
81.07064	7.4
84.08161	1.6
86.09736	1.0
87.00844	1.6
91.05461	1.1
93.07062	3.9
95.08616	10.3
97.02911	5.4
99.04477	4.0
105.07078	4.2
107.08597	7.7
109.02881	8.2
109.10160	52.6
109.10911	1.7
109.76593	1.1
116.42252	1.0
117.07031	1.6
117.59061	0.9
119.08623	7.2
121.10152	6.6
123.11693	7.1
126.12791	2.0
127.03927	10.8
127.11211	1.6
129.07057	1.3
131.08559	2.2
133.10164	6.5
135.11751	6.3
143.08563	1.3
145.04936	2.1
145.10168	6.0
147.11708	6.0
149.13274	5.9
157.10159	1.9
159.02928	4.6
159.11736	5.5
161.13258	7.1
163.14821	1.7
169.10158	1.3
171.11703	1.6
173.13301	5.1
175.14847	1.3
177.05597	1.3
185.13274	7.3
187.14890	5.3
199.14923	1.7
201.16425	2.1
207.50525	1.1
217.19501	1.7
225.16304	1.5
227.17979	1.2
403.33716	1.4
481.38272	1.0
490.55740	1.1
512.05371	1.0
765.45264	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	21.4
63.79486	1.6
67.05502	2.0
69.07080	1.6
70.50276	1.7
71.08635	41.4
73.06553	2.7
85.10203	12.5
87.04462	19.7
89.06028	82.3
91.05505	8.4
93.07040	2.3
95.08667	1.8
107.08576	2.4
119.08568	3.0
121.06499	23.4
131.07062	4.6
133.08615	23.2
135.08086	9.7
147.08098	9.6
149.09659	3.0
163.11234	8.4
165.09154	2.8
175.09758	2.1
177.11259	8.7
177.12772	2.5
221.13885	2.2
222.47379	2.1
247.20575	17.3
250.71841	2.0
265.16357	2.2
283.17578	2.0
291.23239	9.0
309.19330	3.3
409.70071	2.1
623.36646	2.6
749.50220	31.0
766.53094	100.0
776.79504	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	767.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37767	0.2
55.01874	0.4
57.03441	0.4
63.26034	0.3
64.63641	0.3
68.99791	0.4
69.03423	2.7
73.02927	0.3
77.24455	0.3
77.56760	0.3
81.03439	3.1
85.02905	5.1
87.00827	8.3
87.04454	0.7
87.47375	0.3
89.79781	0.3
91.07424	0.3
91.30093	0.3
97.02890	24.1
99.04432	0.7
104.99069	0.3
105.01888	2.7
109.02884	3.6
111.04453	0.4
115.03909	0.4
123.04431	0.3
127.03915	3.9
144.87585	0.3
145.04971	0.5
149.23759	0.3
159.02859	1.9
196.67810	0.3
201.03947	4.2
205.05008	0.4
213.04007	0.4
219.05023	0.5
261.27191	0.3
301.07053	100.0
343.08115	1.1
431.08606	0.6
519.11072	0.5
549.12384	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	767.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05016	2.5
59.05274	0.3
66.78223	0.4
69.03443	2.7
73.02905	0.6
81.03421	2.1
85.02909	4.2
87.00824	1.9
87.04465	1.4
97.02892	30.8
99.04471	0.7
100.05356	0.4
101.96408	0.4
105.01828	0.5
106.88235	0.4
109.02857	2.6
115.03938	0.5
116.59900	0.3
124.79902	0.4
127.03931	3.2
129.01860	0.4
139.03873	0.4
159.02870	0.7
201.07628	1.5
286.04730	0.5
301.07056	100.0
317.13995	0.4
343.08133	0.4
542.52112	0.4
549.12396	9.1
607.51349	0.5
611.35968	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	767.457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.7
57.03435	3.1
57.07074	1.7
61.40325	1.0
67.05515	1.3
69.03436	11.9
69.07063	2.6
71.05005	18.3
73.02921	11.1
73.06548	2.2
81.07047	5.5
83.05009	1.9
83.08620	5.1
85.02902	11.1
85.06548	10.0
93.07040	1.8
95.08605	7.3
97.02911	13.6
97.10175	15.2
101.99560	1.1
104.98882	1.4
105.07020	2.4
107.02599	1.3
107.08601	28.1
107.18842	1.2
109.10178	12.7
115.03918	5.5
119.08586	3.1
119.35285	1.3
121.10154	5.9
123.11689	11.5
125.09633	47.8
125.35716	1.3
127.03896	2.1
127.11224	8.3
130.24106	1.3
131.08575	8.3
133.10150	1.9
137.87744	1.6
141.12802	5.7
143.10680	100.0
145.04895	1.6
145.10132	6.3
147.11705	7.3
155.08603	1.3
157.08580	1.1
157.10089	2.6
159.11678	7.7
161.13255	2.6
171.11699	8.7
173.13329	9.0
175.14810	2.6
177.12769	1.2
183.11678	5.8
185.13261	8.6
187.14809	2.4
197.13266	1.3
199.14848	1.9
201.16429	2.5
209.13280	1.5
225.16328	1.4
227.17870	2.1
251.17906	2.7
346.28030	1.5
419.33054	11.8
423.40494	1.4
437.34082	26.5
445.36777	1.3
455.35324	20.2
469.18030	1.5
473.36273	6.0
545.32593	1.6
796.64948	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	770.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	4.1
57.60955	2.7
58.33305	2.5
63.89357	2.6
67.05504	16.2
67.32794	3.1
68.09216	2.5
69.03435	5.0
69.07066	7.6
81.03433	4.8
81.07068	29.8
81.50685	3.1
82.02539	2.9
83.08587	3.2
85.02929	10.5
87.00778	3.3
93.07031	16.7
95.08614	29.9
105.01897	3.2
105.07047	6.3
107.08588	19.7
109.02878	5.4
109.10156	61.1
110.61746	3.3
119.08562	18.4
121.10141	18.9
123.11722	12.5
127.03914	13.3
131.08582	5.4
133.10129	19.3
135.11708	12.2
143.08464	4.1
145.10129	15.9
147.11679	19.2
149.13251	5.7
149.30110	3.0
157.10066	4.3
159.11714	14.5
161.13272	13.5
171.11647	4.4
173.09613	3.9
173.13214	12.8
175.14812	15.8
185.13260	13.2
187.11237	3.2
195.11652	3.5
215.14285	4.3
217.15974	3.8
241.15800	3.5
307.26147	3.9
405.31671	3.4
415.29556	3.8
433.30954	32.1
451.31989	74.6
469.33182	100.0
610.42352	3.6
681.36176	6.3
699.36914	6.8
717.38074	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	771.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.1
65.76575	0.9
66.44970	0.8
69.03429	6.0
81.03434	4.0
85.02904	6.6
87.00834	2.0
92.21201	2.0
97.02887	6.1
99.04477	1.1
105.01862	1.0
109.02885	2.0
125.02357	1.1
127.03911	5.4
137.05975	5.1
145.02863	3.9
164.04517	1.1
164.38219	1.0
167.03387	4.5
167.07008	1.4
177.05464	10.2
191.03621	1.2
195.06682	0.9
201.81967	1.1
208.93225	1.0
248.60149	1.0
259.06039	6.7
287.05527	21.4
299.05438	1.8
300.06512	1.4
301.07111	20.3
315.04953	11.5
316.05817	3.6
327.05035	4.3
337.07068	23.7
367.04041	1.2
403.08057	1.4
431.07480	3.5
435.10678	9.8
448.07660	1.5
449.08340	1.3
463.10529	7.0
476.07410	1.3
491.09824	9.8
523.12366	100.0
583.17017	1.1
677.84430	1.2
771.38092	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	771.2126
Annotation	Rhamnocitrin 3-(5'''-ferulylapiosyl)-(1->2)-glucoside
Peak:m/z	Relative Intensity
60.60137	0.2
62.42010	0.2
65.03947	1.6
67.05499	0.3
67.91267	0.2
79.08424	0.2
79.73021	0.2
81.94605	0.2
85.02858	0.3
86.22517	0.2
93.03403	2.3
97.02896	17.1
117.03374	1.4
121.02865	1.6
124.07237	0.2
125.02388	0.3
125.05969	0.3
125.69887	0.2
129.06996	0.3
139.03966	0.2
145.02853	11.2
149.02333	3.0
149.05989	0.3
151.03902	1.2
157.06532	1.9
167.03406	10.2
167.04781	0.8
169.06505	0.6
177.05472	27.2
179.03352	0.3
185.05939	0.9
189.09131	2.8
195.04349	0.4
199.07576	2.5
207.06435	0.3
215.07091	0.5
217.08583	2.6
227.07054	2.8
245.08083	2.5
255.06450	0.4
273.07544	0.5
276.39407	0.2
291.08603	8.3
301.07068	100.0
309.09576	1.7
330.65646	0.3
395.43268	0.3
463.12619	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	771.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89602	0.2
62.32252	0.2
63.47953	0.2
65.06184	0.2
69.03406	0.2
73.80109	0.2
85.02887	1.1
89.03943	0.3
97.02897	5.8
101.68887	0.3
117.03388	2.2
127.03847	0.3
142.28499	0.2
145.02844	18.0
147.38890	0.2
149.02351	0.3
149.05975	1.6
157.89516	0.2
166.56870	0.3
167.03410	1.3
171.52698	0.2
175.07542	0.3
177.05461	31.5
189.05496	2.5
227.07025	0.4
252.28735	0.2
273.07516	0.9
286.04681	0.4
291.08578	1.0
301.07056	100.0
343.08109	0.2
383.53177	0.3
463.12210	0.5
531.90961	0.2
729.08423	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	772.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.7
55.05524	1.2
56.32569	0.5
57.07073	0.8
59.05000	1.2
61.40997	0.7
67.05489	2.4
69.03438	7.2
69.07061	4.7
69.39453	0.6
70.06549	0.7
71.04992	8.7
71.08652	0.6
79.05476	0.9
81.03429	3.2
81.07059	8.3
83.08633	3.1
85.02908	8.8
85.06519	0.8
85.81623	0.7
87.00835	3.0
87.46772	0.6
91.05433	1.5
92.77065	0.6
93.07046	6.4
95.08604	17.9
97.02887	3.4
97.06520	1.4
97.10172	4.5
99.04460	1.5
99.08093	1.6
105.01898	1.1
105.07042	7.1
107.08599	14.4
109.02882	2.9
109.06490	0.9
109.10149	16.9
111.11717	1.5
117.07030	1.4
119.08573	58.4
121.06518	1.1
121.10137	47.4
123.08062	1.3
123.11687	9.6
125.09621	7.3
127.03931	9.1
127.11185	25.0
131.08574	4.3
133.10130	10.1
135.11696	7.0
137.13243	3.0
141.12703	1.4
143.08507	2.6
143.10686	4.6
145.10109	18.1
147.11690	13.4
149.09657	0.9
149.13257	5.4
151.11179	1.0
155.08575	0.7
157.10106	10.3
159.02914	2.6
159.11688	26.5
161.09616	3.8
161.13254	8.4
163.11201	4.4
163.14832	1.6
169.10097	4.6
171.11659	17.4
173.09653	0.9
173.13219	12.9
175.11195	0.8
175.14818	5.6
177.16411	1.6
183.11665	7.3
185.13242	13.2
187.11182	3.1
187.14795	8.8
189.12756	0.9
189.16374	4.3
195.11646	1.0
197.13261	6.5
199.11217	1.5
199.14806	6.6
201.12801	2.8
201.16403	8.6
203.14313	3.3
203.17957	1.0
209.13214	3.3
211.14841	5.0
213.12820	1.0
213.16405	4.6
215.14328	6.9
215.17867	5.2
217.12219	0.7
217.15834	1.5
223.14850	3.8
225.16333	4.6
227.14362	2.7
227.17928	3.3
229.15897	1.5
231.17467	2.6
235.14766	1.5
237.16489	1.1
239.17963	2.6
243.17525	1.0
243.21036	1.0
249.16356	3.9
251.17920	2.5
253.19435	2.8
261.16354	0.8
263.17865	1.5
265.19501	3.3
267.20999	1.3
271.20575	1.4
283.20612	1.4
291.21027	3.3
293.22617	1.3
309.22021	1.3
324.43994	0.7
329.24426	0.7
331.24219	1.4
373.28806	1.3
379.26227	0.7
391.30051	1.0
409.31012	1.0
417.31647	6.4
425.30209	2.7
435.32541	38.0
453.33609	94.6
471.34674	100.0
489.35706	15.2
536.59015	0.8
567.33484	0.8
683.37799	0.9
701.38806	7.7
719.39838	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	773.519
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51404	2.7
55.05515	16.2
56.81104	3.0
57.03457	5.1
58.78167	2.7
67.05513	63.7
68.66088	2.7
69.03461	3.1
69.07074	13.7
79.05499	47.9
81.07063	65.6
83.08634	11.6
85.02908	6.0
91.05497	30.5
93.07049	59.0
95.05001	5.8
95.08607	54.6
97.06504	4.7
105.07047	38.8
107.08611	31.3
109.10143	29.1
117.07043	16.4
119.08575	36.6
121.10145	36.3
123.11723	4.2
129.07021	4.6
131.08597	25.5
133.10126	33.1
135.11670	28.2
143.08568	15.5
145.10133	27.2
147.11729	35.4
149.13283	5.6
157.10118	13.5
159.11687	18.0
161.13289	24.5
169.10126	3.2
171.11687	18.7
171.63768	3.0
173.13295	6.0
175.14864	7.8
183.11781	5.1
185.13301	6.7
192.54204	3.0
199.14867	6.7
201.16397	4.2
225.16310	3.5
241.19626	7.7
253.57655	3.8
259.20648	32.7
283.40909	3.3
326.69177	3.6
327.69431	3.9
333.24170	19.1
335.25809	32.4
440.97687	4.9
458.06631	3.6
502.46573	4.0
593.45172	6.5
597.25012	3.8
604.58752	3.5
611.46625	100.0
701.47546	4.2
737.49176	5.9
755.50073	5.9
773.51233	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	777.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13558	0.8
58.97704	0.8
59.00278	1.1
64.11127	0.9
64.42435	1.0
116.38810	0.9
135.83852	1.1
154.94569	1.0
158.99783	1.7
177.00874	1.0
180.05142	0.9
199.94753	1.1
201.76443	1.1
208.24648	1.0
212.61368	0.9
246.45143	1.0
326.52948	1.3
475.28708	3.9
493.30167	6.1
511.31110	8.1
535.30988	1.2
553.32294	1.8
673.36279	2.2
687.33215	1.2
691.35883	2.0
733.38416	19.5
759.37457	7.3
777.38220	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.70760	1.0
66.50726	0.8
87.26234	0.8
89.01789	1.0
218.92014	0.9
245.06450	5.7
289.05096	8.3
493.32626	4.5
511.33951	4.1
655.37695	3.6
673.38928	7.7
679.38452	1.1
691.40009	2.1
697.39575	6.5
715.40533	17.4
733.40613	4.7
741.37427	1.2
759.38501	9.3
777.40234	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	2.8
61.02920	2.6
67.05518	23.5
69.03417	11.4
69.07076	15.8
79.05567	2.6
81.03417	2.3
81.07060	24.3
83.05005	3.1
83.54549	1.9
85.02909	32.2
91.05453	2.6
93.07046	14.7
95.08617	36.0
97.02908	10.0
99.04432	3.3
99.08098	2.9
105.07049	10.9
107.08600	27.6
109.02872	3.6
109.06474	2.8
109.10162	63.6
119.08569	31.5
121.09389	2.2
121.10149	20.7
123.08090	2.5
123.11734	5.2
127.03944	10.2
131.08546	12.3
133.10132	17.9
135.08054	4.8
135.11676	11.2
137.09666	2.7
143.08549	4.0
145.04958	3.7
145.10129	24.1
147.11687	20.1
149.09621	2.5
149.13269	12.8
157.10165	10.7
159.11720	12.9
161.09639	4.5
161.13211	9.7
169.10138	11.0
171.11650	12.4
173.09625	9.1
173.13269	13.1
175.11235	8.8
175.14821	13.3
177.12677	4.1
183.11729	9.3
185.09662	3.2
185.13266	11.5
187.14807	17.9
189.12804	3.5
189.16383	2.6
189.50401	2.4
195.11797	2.5
197.13274	5.5
199.11191	3.3
199.14874	4.5
201.16351	3.7
203.14215	3.2
211.14835	3.7
213.12827	5.1
215.14377	9.8
221.13234	3.4
223.14807	4.7
225.16431	8.0
229.15994	3.2
233.13379	3.1
233.15282	18.6
235.14720	2.9
237.16362	3.3
239.17950	8.8
241.15892	4.2
249.16405	4.3
251.17969	3.4
267.17377	3.3
269.19034	4.9
277.19781	3.3
281.19019	3.2
283.20721	3.6
291.21124	4.2
309.22244	11.1
319.24060	3.1
399.30649	2.5
400.79236	2.5
417.31699	24.2
435.32562	53.1
453.33643	100.0
559.33008	3.0
579.36768	18.4
597.37958	44.2
615.38977	61.2
759.43750	4.2
777.42682	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	779.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55243	4.2
56.63605	2.9
67.05500	16.9
68.59946	3.3
69.07064	8.1
79.05466	7.2
81.07052	22.2
83.08656	5.0
93.07040	7.2
95.08607	26.6
97.02927	4.4
97.05859	4.1
97.78748	4.6
99.08016	4.2
105.07040	16.1
107.08609	30.0
109.10152	51.0
110.10493	4.6
119.08601	27.3
121.10151	15.2
123.11784	4.6
129.28328	4.0
131.08553	9.3
133.10121	19.8
135.11688	7.0
145.10100	25.6
147.11682	21.7
149.06033	4.4
149.13298	5.5
157.10135	8.8
159.11720	16.2
161.13232	5.9
163.07169	3.9
169.10071	4.8
171.11655	16.3
173.09628	7.6
173.13293	9.1
175.11226	28.0
175.14842	21.5
187.14796	47.0
189.16360	4.3
199.14848	5.5
201.16319	5.1
215.14392	28.4
225.16347	7.5
229.16003	4.0
233.15350	18.3
267.17413	5.2
269.19034	6.0
377.28491	6.3
417.31445	23.9
435.32605	55.0
436.32837	6.4
437.30521	6.1
477.33673	40.6
495.34747	100.0
496.34772	20.6
623.42615	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	779.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.9
55.36269	0.9
59.44713	0.8
61.04062	0.9
67.05506	3.8
69.03434	6.0
69.07069	1.3
70.06609	2.0
71.04987	1.0
72.08172	1.7
73.02901	1.0
79.05505	1.6
81.01352	0.9
81.03431	5.0
81.07066	7.2
84.08147	1.4
85.02915	8.5
87.00828	1.3
87.68599	0.9
90.10027	0.9
93.07069	2.0
95.08621	4.7
97.02900	4.4
98.09670	10.7
99.04478	1.8
105.01862	1.1
105.07047	2.0
107.08620	5.9
109.02881	7.6
109.10152	16.3
113.07096	1.0
114.36630	1.0
119.08581	12.1
121.10140	8.6
122.00404	0.9
123.11719	1.5
124.11255	1.7
126.12799	11.3
127.03884	11.7
127.11181	1.5
131.08597	1.0
133.10191	4.2
135.11705	2.1
141.10306	1.3
143.08580	1.1
145.04953	1.9
145.10150	5.5
147.11708	6.1
149.13293	1.5
150.98595	0.9
157.10181	4.6
159.02870	1.3
159.11650	8.9
161.09683	1.5
161.13263	4.5
161.75064	0.9
163.14842	0.8
169.13422	1.2
171.11702	6.6
173.13280	5.2
175.14841	1.1
183.11790	1.1
185.13347	4.0
187.11296	1.2
187.14919	4.3
189.16571	1.2
197.13318	1.8
199.11227	1.5
201.12735	1.1
201.16458	4.9
203.14427	1.1
211.14957	1.1
213.12785	1.1
213.16435	1.2
215.17918	2.1
225.16562	0.9
237.16434	1.0
249.16425	1.3
291.20874	1.0
434.34293	1.5
452.35358	3.3
460.32370	1.1
470.36282	1.7
550.56549	1.0
558.71899	0.9
660.81580	1.0
761.42188	7.0
779.43213	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47024	0.8
55.05509	1.1
61.04055	2.1
67.05511	5.9
69.03436	6.2
69.07056	1.3
70.06590	1.1
72.08188	1.0
73.05215	0.8
79.05439	1.0
81.03448	5.2
81.07073	4.8
84.08154	1.6
85.02926	7.9
87.00843	4.1
92.19454	0.9
93.07066	3.7
95.08618	4.0
97.02904	3.4
98.09704	8.3
99.04490	1.7
105.01888	1.3
105.07076	3.7
107.08579	7.1
109.02860	6.1
109.10155	23.5
119.08591	13.7
120.15154	0.8
121.10136	12.5
123.11709	1.6
123.87316	0.8
124.11241	1.4
126.12783	12.6
127.03968	7.7
127.11233	1.8
131.08611	1.9
133.10199	6.1
135.11749	1.9
143.08540	0.9
145.05022	1.4
145.10132	7.1
147.11737	5.7
149.13281	1.8
157.10176	4.0
158.36624	1.0
159.02933	1.4
159.11670	9.2
161.13298	4.7
163.14909	1.2
169.10223	1.3
169.13400	1.6
171.11691	6.2
173.13290	6.0
175.14810	1.2
175.43816	0.9
183.11777	1.2
185.13293	4.8
186.17880	0.9
187.11154	1.1
187.14906	4.8
197.13297	2.1
199.11275	0.9
199.14812	2.9
201.16386	1.7
211.14934	1.2
213.16365	1.5
215.14435	1.8
215.18008	4.7
265.20053	1.2
267.21289	0.9
274.17041	1.0
280.35403	1.0
434.34256	1.9
435.32898	1.4
452.35358	4.2
470.36307	1.4
477.34052	1.3
717.42255	1.5
761.41809	8.7
770.50745	0.9
779.43164	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.457
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	4.8
61.02932	5.6
62.66065	3.3
67.05508	16.4
69.03429	18.0
69.07075	23.1
70.06585	6.3
73.02924	3.7
81.03436	6.3
81.07055	28.8
83.08646	4.4
85.02912	44.8
87.04455	4.1
93.07051	8.6
95.08641	32.4
97.02888	8.6
97.10186	5.9
101.98344	4.2
105.07050	5.1
107.08595	21.6
109.02861	5.0
109.10186	49.7
119.08573	26.4
121.10155	13.8
123.11682	5.7
127.03867	6.2
131.08540	5.9
133.10129	8.6
133.54997	3.6
135.11707	7.3
138.52063	3.4
143.08578	6.2
145.04979	5.8
145.10130	7.4
147.11737	16.1
149.13260	6.4
157.10109	21.9
159.11699	9.2
161.13313	5.4
169.10141	17.7
171.11642	7.7
173.13245	14.6
175.14868	5.0
183.11656	18.5
185.13257	8.2
187.14816	18.3
197.13231	5.5
199.14919	4.7
209.13277	5.6
211.14789	17.2
223.14705	6.1
225.16270	5.9
235.14809	4.9
237.16388	17.7
239.17943	5.8
249.16359	4.6
251.17946	9.2
253.19481	17.2
263.17911	7.4
267.20996	8.3
269.18674	4.3
277.19400	7.7
292.21857	7.0
293.22787	5.4
363.26984	4.0
401.32034	34.7
419.33069	100.0
437.34158	80.8
455.35287	28.1
581.38184	25.8
599.39392	57.6
617.40192	21.0
761.43494	5.7
779.44452	6.7
805.85681	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	779.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	6.1
67.05515	16.4
69.03433	26.7
69.07067	17.8
73.02926	4.3
81.03419	9.0
81.07060	21.8
82.83087	4.0
83.08649	5.1
85.02919	60.0
87.04449	6.3
91.05506	6.0
92.21310	4.1
93.07041	15.5
95.08614	33.2
97.02914	19.1
105.07069	9.3
107.08583	28.4
109.10175	59.7
119.08617	30.2
121.10141	26.8
123.11684	4.1
123.85922	4.7
127.03927	6.5
131.08563	9.3
133.10159	16.6
135.11671	7.7
143.08600	4.7
145.04944	4.6
145.10147	9.8
147.11702	18.9
157.10150	18.2
158.72519	4.6
159.11723	16.9
161.13190	14.6
169.10167	7.4
171.11690	18.7
173.13326	6.5
183.11693	18.5
187.14781	6.4
195.11693	8.7
197.13286	10.0
199.14763	6.4
209.13373	6.0
211.14723	8.9
213.16548	8.4
221.13170	4.5
223.14719	8.0
225.16386	17.9
227.17940	16.6
235.14973	6.1
237.16426	23.1
239.17961	16.1
241.19402	3.9
249.16341	6.1
251.17935	16.4
253.19507	18.5
259.20645	4.1
265.19464	4.8
269.19128	4.9
271.20737	5.0
277.19528	7.9
279.21005	8.0
291.21112	7.3
292.21997	7.3
293.22604	5.6
297.22134	5.0
309.22141	9.5
349.25491	5.5
401.32123	29.2
419.33121	100.0
437.34189	88.7
455.35175	28.2
566.59265	4.5
581.38129	23.3
599.39618	76.1
600.79907	4.9
617.40601	49.8
629.59778	4.6
707.87115	4.6
740.25201	4.7
761.43756	6.6
779.45386	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	779.457
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	3.1
61.02938	3.9
67.05499	16.2
69.03445	21.5
69.07074	21.9
71.05035	3.6
81.03429	5.1
81.07063	24.6
83.08620	4.3
85.02908	56.3
88.88715	2.2
91.04021	2.4
92.21041	4.4
92.21535	3.1
93.07050	16.8
93.14768	2.9
95.08620	43.4
97.02906	21.5
99.04449	2.3
105.07046	16.7
107.08588	35.7
109.02905	5.0
109.10159	57.9
117.07087	3.0
119.08590	33.2
119.49612	2.2
121.10132	24.1
123.11710	13.7
127.03928	15.5
131.08595	5.1
133.10162	21.2
135.11688	12.1
142.83220	2.6
145.04926	3.4
145.10168	22.9
147.11684	27.7
149.13237	10.7
155.08580	2.9
155.64622	2.7
157.10089	21.6
159.11711	22.9
161.13217	22.5
162.03804	2.6
163.14859	3.1
168.44606	2.6
169.10097	12.4
171.11691	22.3
173.13251	21.3
175.14812	10.8
183.11671	15.4
185.13225	16.3
187.14784	12.6
189.16434	4.3
195.11661	9.8
197.13214	15.5
199.14861	9.7
201.16386	3.9
203.17952	3.1
209.13274	6.1
211.14943	5.3
213.16406	13.1
217.15857	3.8
221.13297	4.1
223.14832	5.8
225.16342	12.2
227.17926	12.2
227.81989	2.8
235.14784	4.3
237.16443	15.2
239.17900	6.0
241.19531	4.0
243.17328	3.2
247.14738	3.6
251.17953	6.0
253.19524	16.4
263.18030	5.6
265.19479	10.3
267.21057	11.9
269.19070	5.9
277.19559	4.1
279.20984	6.0
289.19092	3.2
291.21100	9.8
292.21802	5.7
293.22693	3.1
297.22208	3.1
309.22217	5.8
311.23810	3.3
319.24194	6.0
337.25055	3.7
363.26721	3.4
401.32074	32.5
419.33069	100.0
437.34171	99.6
455.35132	40.7
581.38275	33.9
599.39435	70.6
617.40649	35.5
761.44153	11.5
779.17188	4.2
779.45453	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	780.364
Annotation	Unknow
Peak:m/z	Relative Intensity
60.28134	0.6
65.03915	0.8
67.05495	1.3
70.42609	0.7
81.03420	0.7
85.02882	1.1
93.00076	0.8
93.03395	4.8
94.56976	0.8
97.02889	58.4
99.62395	0.7
111.04484	0.8
116.56795	0.7
117.03352	1.4
121.02871	1.4
125.05951	1.7
127.03892	1.1
130.39917	0.8
135.11661	0.8
145.02829	19.5
149.02318	9.7
151.03908	1.1
157.06522	1.5
160.07118	1.0
167.03383	38.7
167.04811	1.3
169.06479	1.1
175.14882	0.9
177.05455	100.0
189.09119	8.0
199.07512	6.1
213.05545	1.3
215.06999	1.3
217.08626	7.4
227.07086	7.4
245.08098	9.8
273.07492	2.9
291.08585	31.6
306.00565	0.8
309.09695	15.4
339.10660	1.2
347.08215	0.9
425.13635	0.8
471.14752	8.4
491.75531	1.0
633.20355	5.4
741.97467	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	780.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
60.70166	0.2
61.02919	0.3
64.87146	0.2
70.27444	0.2
81.03436	0.4
85.02895	1.1
89.03928	0.9
92.21386	0.3
93.03373	0.3
95.08619	0.3
97.02889	11.3
102.56045	0.2
117.03371	2.2
145.02849	24.9
149.02321	0.9
149.05975	1.1
157.06508	0.3
167.03404	5.9
169.06509	0.3
175.07498	0.3
177.05464	100.0
188.15335	0.2
189.05481	5.6
189.09087	0.9
195.06444	0.2
199.07614	0.8
207.06482	0.8
211.62212	0.2
215.07036	1.3
217.08678	0.5
227.07063	1.0
245.08055	1.1
263.88934	0.2
266.39633	0.2
273.07544	3.5
291.08606	6.3
297.56702	0.2
309.09680	5.5
339.10730	1.5
437.34058	0.3
438.34271	1.6
453.13797	0.9
471.15082	2.0
488.92514	0.2
633.20258	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	780.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88378	2.6
56.42089	2.9
56.42641	2.8
58.31929	2.8
62.89577	2.9
67.05506	25.0
67.75752	3.2
69.07065	17.7
78.84646	2.9
79.05496	4.2
81.07055	34.6
83.08620	4.6
85.02879	3.8
93.07058	17.7
95.08601	43.3
97.02920	4.2
99.08076	5.6
105.07036	12.5
107.08593	32.7
109.02826	3.4
109.10164	78.0
111.08065	5.5
119.08594	28.6
121.10160	26.7
123.11715	13.4
127.03886	7.4
131.08586	4.6
133.10115	33.6
133.75954	4.0
135.08076	5.7
135.11699	14.7
141.28395	3.4
145.10138	17.2
147.11696	24.6
149.09700	3.7
149.13280	6.8
157.10143	25.3
159.11700	24.3
161.09573	4.1
161.13292	13.8
163.11237	4.0
163.14764	4.7
171.11713	17.1
173.13249	22.5
175.11140	5.2
175.14812	34.9
183.11720	5.6
185.13243	7.9
187.14813	18.9
197.13289	4.7
207.90408	3.6
211.14734	6.9
213.16307	4.0
215.14232	4.1
223.14868	3.9
225.16266	3.5
227.17950	32.0
229.16078	3.7
231.17580	5.1
239.17995	13.2
241.19568	5.2
253.19325	4.8
269.18930	4.8
281.22504	6.0
293.22687	3.9
363.26697	5.9
401.32120	11.9
403.47263	3.8
419.33124	41.0
437.34274	32.2
444.71378	4.0
461.33701	16.2
479.35196	100.0
497.36246	74.7
667.37952	4.4
745.39526	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	780.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	18.5
69.03440	2.4
69.07072	10.1
79.05520	1.8
81.07078	13.1
83.08620	1.5
88.59715	1.6
91.05508	2.2
93.07057	6.9
95.04988	2.9
95.08604	35.5
97.06579	1.7
102.88583	1.7
105.07043	3.9
107.08619	18.8
109.06516	3.1
109.10164	64.7
109.14595	1.5
119.08601	19.3
121.10130	12.4
123.08075	1.7
123.11743	20.4
126.47964	2.0
131.08566	2.4
133.10138	16.2
135.08070	2.0
135.11676	3.9
143.08556	2.1
145.10144	16.9
147.11691	11.8
149.13194	4.2
151.11194	8.4
153.81726	1.8
157.10141	9.3
159.11703	19.2
161.13217	3.7
169.10172	7.5
171.11729	8.1
173.13252	10.8
173.47440	1.8
175.11301	2.1
175.14835	6.8
177.12764	2.3
183.11685	8.0
185.13232	6.9
187.14798	3.6
189.16289	2.1
195.11670	1.9
197.13293	7.3
199.14832	11.2
201.12709	1.9
201.16541	2.7
203.17987	1.8
211.14903	2.8
213.16370	3.3
215.14459	2.0
215.18007	2.3
225.16248	2.5
229.19795	2.5
243.21109	7.8
253.19496	31.1
271.20554	6.6
274.67621	1.6
291.21100	2.2
331.22180	2.2
355.26468	2.1
401.31833	2.6
419.33179	18.5
437.34009	3.0
479.28726	3.5
479.35165	59.6
497.36270	100.0
780.44763	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	780.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.1
55.05523	6.7
57.07070	1.8
63.11224	1.5
67.05238	1.5
67.05516	26.3
68.76628	1.3
69.03424	10.9
69.07066	15.6
79.05482	8.8
81.03420	8.7
81.07065	38.1
83.08596	6.1
85.02908	13.9
87.00826	3.7
91.05470	9.0
93.07042	21.1
95.04977	2.1
95.08009	2.1
95.08606	62.4
97.02870	7.0
97.06555	1.9
97.10172	3.5
99.04457	5.3
99.08083	3.3
105.01906	5.3
105.07034	21.9
107.08598	44.5
109.02885	8.8
109.06500	2.3
109.10159	96.6
117.01840	2.5
117.06988	2.6
119.08575	51.0
121.10141	39.7
123.08034	2.8
123.11742	14.3
125.09605	6.1
127.03896	14.4
129.06996	2.8
131.08589	15.4
133.10121	38.8
135.08052	8.9
135.11671	17.8
137.13248	2.8
143.08539	8.9
145.04935	1.9
145.10129	39.9
147.11700	23.3
149.09618	3.3
149.13252	14.2
156.09335	1.8
157.10110	24.1
158.10957	1.7
159.02893	3.4
159.08035	2.1
159.11673	28.1
161.09608	2.5
161.13237	25.6
163.11157	3.1
163.14835	1.8
169.10107	10.5
171.11673	32.0
173.09532	1.6
173.13248	32.2
175.11148	2.7
175.14812	18.1
177.16362	3.0
181.10176	2.4
183.11652	11.4
185.13239	23.5
187.11145	2.5
187.14827	34.7
189.16356	9.8
193.12273	1.7
195.11639	7.2
197.13286	14.4
199.14774	16.6
201.16368	13.9
203.14082	1.9
203.17900	6.2
209.13191	8.5
211.14847	13.9
213.16414	20.0
215.17967	6.5
217.15904	11.4
221.13168	2.1
223.14786	9.8
225.16321	13.7
227.17984	7.9
229.15889	1.9
229.19443	2.2
231.17313	2.8
235.14809	6.1
237.16206	10.7
239.17960	9.5
241.19678	4.5
249.16383	5.9
251.17876	11.6
253.19505	10.2
255.17599	2.4
255.20924	2.9
265.19479	7.2
267.20987	2.5
269.18921	1.7
275.18091	2.0
277.19531	3.2
279.21133	2.3
291.21167	3.5
293.22540	3.6
307.24243	2.0
311.23691	1.8
319.24051	2.6
345.25510	3.1
401.32068	44.9
413.25940	1.6
419.33090	100.0
437.34058	27.6
461.34082	21.2
479.35156	89.2
497.36240	52.1
649.36847	3.3
667.38623	14.2
685.38757	3.2
727.40204	13.0
745.42035	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	781.4727
Annotation	Carnosifloside I
Peak:m/z	Relative Intensity
55.05522	2.9
57.07072	2.1
67.05508	10.8
69.03419	7.9
69.07073	10.6
69.10499	1.8
71.04960	1.8
77.74394	1.7
78.29961	1.7
79.05512	2.5
81.07062	21.1
83.08604	8.2
85.02419	3.1
85.02899	33.2
91.03960	2.0
93.07047	14.4
95.08614	34.1
97.02879	3.8
105.07002	19.2
107.08602	24.4
109.02902	3.8
109.10149	50.0
119.08598	20.0
121.10130	19.9
123.11697	11.6
127.03903	7.2
131.08586	9.3
133.10098	17.5
133.82236	2.0
135.10817	1.9
135.11674	18.9
137.13322	2.9
143.08661	2.3
145.04979	7.7
145.10123	18.0
147.11668	18.9
149.13258	13.2
157.10109	12.1
159.11674	23.6
161.13216	21.9
163.11118	2.7
163.14836	10.8
169.10086	9.9
171.11674	18.6
173.13297	18.6
175.14813	10.6
177.16386	3.2
183.11662	8.7
185.13266	13.9
187.14810	16.6
195.11713	2.9
197.13239	8.9
199.14815	8.4
201.16373	7.9
211.14799	8.9
213.16405	3.8
215.18004	3.1
223.14729	8.2
225.16396	10.9
227.17908	8.3
237.16394	2.4
239.17888	6.8
241.19464	3.7
243.21075	10.7
245.18933	2.6
251.17842	2.8
253.19463	4.4
255.20717	3.0
265.19489	3.3
267.21066	26.6
281.22662	7.5
294.23398	2.5
295.24316	3.6
307.24332	2.5
347.27225	3.3
365.28528	3.9
403.33560	35.4
421.34659	100.0
439.35669	37.3
565.38507	4.8
583.40118	16.4
597.84552	2.0
601.41278	22.2
641.41553	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	782.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	5.5
57.00487	2.2
57.07054	2.2
61.91223	2.2
67.05505	26.8
69.03423	12.5
69.07067	24.8
76.99151	2.1
79.05495	4.3
79.78428	2.5
81.03402	5.8
81.07069	37.2
83.08640	5.7
85.02905	25.5
87.00838	4.0
91.05470	5.8
92.20797	2.4
93.07031	21.0
95.08599	60.3
97.02892	6.3
97.06551	3.2
97.10168	5.7
99.04443	3.0
105.01868	10.1
105.07022	25.6
107.08588	38.2
109.02905	11.7
109.10157	100.0
116.55680	2.6
116.61810	2.4
117.07024	5.4
119.08585	39.6
121.10143	38.0
123.11718	23.0
125.09649	13.2
127.03918	19.2
131.08542	15.0
133.10136	28.0
135.11717	25.4
137.13254	4.5
143.08543	10.9
145.04982	3.9
145.10138	41.3
147.11659	38.1
149.13271	19.5
157.10115	17.3
159.02768	3.2
159.11708	40.0
161.13251	38.4
163.11130	2.6
163.14841	17.7
169.10027	3.3
171.11696	14.9
173.13245	39.3
175.14789	19.9
177.16420	4.2
183.11694	14.2
185.13242	16.3
187.14839	34.6
189.16333	12.5
195.11690	3.2
197.13280	5.9
199.14839	21.4
201.16388	29.2
202.52068	2.5
203.17975	13.1
209.13190	4.0
211.14786	10.3
213.16347	11.7
215.17934	10.9
217.19453	10.5
225.16360	5.4
227.17926	10.7
237.16455	3.0
239.17982	6.3
241.19373	9.7
243.20979	5.7
249.06189	2.7
253.19385	3.9
255.21027	5.4
267.21118	11.5
269.22729	3.4
279.21097	6.2
283.24252	3.3
293.22626	9.8
295.24124	6.0
297.22266	5.6
305.22607	2.7
307.54099	3.0
321.25833	4.3
347.27399	4.8
361.28860	3.2
363.30359	4.8
393.35049	14.2
403.33563	71.6
421.34647	89.7
463.35727	39.7
481.36844	48.7
499.37842	2.9
637.20709	2.9
651.38416	3.8
669.40149	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	782.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88116	2.3
55.05528	6.6
67.05505	18.1
69.03425	13.4
69.07063	15.4
72.69003	2.5
79.05471	7.4
81.03419	4.7
81.07065	36.9
83.08636	5.2
85.02928	23.9
87.00838	5.4
91.05498	5.1
93.07039	18.2
95.08604	51.8
97.02901	6.8
97.10165	4.2
99.04460	3.1
102.52340	2.9
105.01824	10.6
105.07037	21.2
107.08593	42.4
109.02888	6.5
109.10157	100.0
119.08565	34.2
121.10159	39.5
123.11720	31.3
125.09618	7.5
127.03912	19.0
131.08586	14.3
133.10126	22.4
135.08026	4.5
135.11717	19.4
137.13321	4.7
143.08553	5.6
145.04866	3.5
145.10121	32.2
147.11691	36.3
148.41377	2.9
149.13266	14.9
157.10141	17.4
159.02890	3.2
159.11699	33.8
159.43607	3.4
161.13232	38.4
163.14796	16.7
171.11667	14.1
173.13214	42.6
175.14832	20.6
177.16350	13.3
183.11656	6.0
185.13246	18.1
187.14807	31.4
189.16330	5.0
197.13269	3.3
199.14824	24.9
201.16408	36.4
203.17993	7.2
211.14764	5.5
212.95796	3.1
213.16385	7.4
215.17929	16.0
215.54308	3.0
217.15707	3.7
217.19527	6.9
225.16335	6.0
227.17943	12.2
229.19553	4.8
239.18037	3.6
241.19560	4.9
242.49586	3.0
243.21063	11.8
253.19492	7.1
255.21039	5.7
267.21091	13.1
269.22491	4.1
281.22330	3.5
283.24298	5.2
293.22818	5.5
295.24234	11.0
347.27271	12.2
363.30444	3.6
393.35098	11.2
403.05688	2.9
403.33588	65.3
421.34671	89.0
463.35703	29.5
481.36826	53.5
651.38953	6.7
669.39752	18.1
729.41663	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	782.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
62.43587	6.1
67.05508	23.9
69.07063	14.4
79.05485	9.7
81.03403	9.1
81.07063	33.8
85.02900	29.1
87.00806	7.5
93.07031	12.6
95.08604	60.0
97.02908	8.4
105.07030	24.6
107.08604	56.8
109.02878	6.9
109.10160	100.0
119.08559	51.3
121.10120	48.2
123.11672	26.2
125.64785	6.0
127.03887	29.2
131.08534	9.6
133.10144	35.4
135.11711	11.9
140.80249	6.6
145.10104	36.7
147.11694	30.5
149.13283	6.9
157.10143	7.9
159.02823	10.3
159.11688	40.2
161.13257	14.3
163.14787	8.9
169.10051	8.1
171.11620	26.9
173.13234	38.6
175.14804	13.9
185.13303	8.7
187.14833	41.2
189.16432	10.1
197.13193	13.7
199.14803	14.5
201.16408	25.3
207.77057	6.3
215.17978	7.5
225.16391	8.6
227.18068	8.1
241.19609	6.7
251.17856	6.6
255.21252	6.8
267.21149	9.7
274.27383	10.6
282.44836	6.4
403.33630	66.7
421.34747	78.0
463.35751	51.7
481.36768	80.1
651.38269	12.5
669.39795	40.6
729.41541	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	782.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	4.5
57.35045	2.0
63.28701	2.3
65.17677	1.9
67.05503	10.5
67.33136	2.1
67.44913	2.1
69.03436	9.2
69.07069	21.7
69.63323	2.1
70.51112	2.3
73.06741	2.5
81.07063	31.7
83.08659	2.9
85.02892	22.9
87.00823	11.3
92.21497	2.4
93.07044	14.9
95.08608	55.4
97.02899	12.5
97.10178	4.2
99.04446	4.4
101.52406	2.4
105.01865	5.5
105.07019	21.1
107.08591	41.1
109.02884	11.5
109.10161	55.3
119.08569	29.9
121.10126	41.7
123.08067	2.6
123.11687	18.3
124.27922	2.2
127.03930	19.4
129.06920	2.8
131.08572	11.0
133.10126	24.3
135.08076	4.1
135.11703	25.3
137.13252	3.1
143.08600	3.0
145.04979	4.3
145.10118	38.4
147.11676	30.7
149.09557	4.1
149.13252	14.9
150.11661	2.7
157.10144	14.4
159.02887	9.4
159.11688	33.6
161.13219	21.4
163.11209	3.6
163.14784	4.8
169.10086	9.9
171.11693	20.5
173.13283	23.4
175.14803	22.0
177.16408	5.0
183.11646	4.7
185.13269	11.5
186.96754	3.8
187.14748	25.2
189.16365	8.8
195.11714	4.4
197.13269	13.8
199.14848	12.1
201.16402	16.8
203.17952	4.6
205.15952	2.9
211.14816	4.3
213.16382	10.9
215.18077	9.4
219.17445	3.9
223.14847	5.4
225.16374	9.1
227.18027	11.4
229.19566	3.3
235.15059	2.5
237.16412	13.8
239.17981	5.8
241.19499	4.1
251.17859	5.6
253.19453	3.7
255.17332	2.5
255.21164	2.5
265.19543	4.5
267.21167	3.3
269.22363	2.4
271.24133	2.8
279.20981	2.6
281.22598	9.7
292.22116	2.8
293.22617	4.2
320.04782	2.6
393.35266	12.6
403.33615	76.3
421.34705	51.6
439.35837	3.4
463.35629	38.0
481.36749	100.0
579.70081	2.9
594.40759	2.6
633.38544	3.2
669.40027	40.3
729.42242	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	784.4504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	6.8
57.03441	7.2
57.06823	1.7
57.07080	27.7
59.05013	1.0
61.05720	1.1
67.05509	17.2
69.07076	15.7
71.05003	2.1
71.08632	30.0
73.02914	1.8
75.43243	1.0
79.05506	8.0
80.35504	1.1
81.03413	1.7
81.07059	68.8
83.04977	7.1
83.08630	17.0
85.02924	1.4
85.06533	4.6
85.10186	19.7
85.61766	1.1
91.05471	14.8
93.07045	7.0
95.05000	1.2
95.08606	34.1
96.30489	1.3
97.06528	6.5
97.10178	9.0
99.04485	1.6
99.08093	3.0
101.06015	1.7
103.07526	1.7
105.07035	26.4
107.08613	14.3
109.02895	6.0
109.06513	5.7
109.10165	9.7
111.04434	4.8
113.18736	1.2
119.08579	19.6
121.10133	24.6
123.08099	4.6
123.11697	37.2
123.99039	1.3
127.03902	1.4
127.07537	5.1
133.10123	2.2
137.13252	7.2
147.11688	100.0
157.10176	2.0
165.12749	37.7
183.13812	2.3
191.00133	5.5
193.12263	1.9
229.14322	5.4
239.23814	2.3
257.24771	2.8
267.15906	81.1
285.16943	71.4
300.86340	1.6
307.34161	1.2
313.27347	81.5
331.28571	13.6
406.96762	1.4
419.13699	3.0
437.14789	6.3
463.30698	1.3
493.17108	14.4
511.18341	14.0
523.39911	84.5
539.28552	11.8
593.67053	1.4
731.39911	2.9
749.40985	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	785.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	1.2
57.03440	0.9
58.04120	0.4
60.05653	2.5
60.07944	0.4
61.02934	10.1
67.05517	1.1
68.14222	0.4
69.03451	3.4
69.07075	0.4
70.62605	0.5
71.94010	0.4
72.04503	4.0
73.02929	5.7
73.17284	0.5
74.02464	0.5
74.06089	3.1
75.14051	0.5
76.05131	19.0
80.05013	1.0
81.03426	12.0
81.07058	0.5
83.08630	5.5
85.02905	11.7
91.03968	8.9
95.04977	3.1
96.05618	38.4
97.02895	11.5
97.06412	6.4
98.07214	0.8
98.09851	0.5
101.02428	0.8
101.17699	0.5
102.05564	0.8
105.07040	0.8
107.05033	0.6
109.02903	1.0
109.10183	1.2
111.08078	2.6
114.49074	0.5
116.08231	2.7
118.05016	8.6
119.08569	2.0
120.06599	3.6
121.10133	0.5
127.03951	4.2
131.09378	0.6
135.07661	1.1
145.04922	0.8
145.09935	0.4
147.11754	0.8
149.09648	0.9
150.70705	0.5
153.58650	0.5
155.10707	0.7
157.10162	2.6
159.08867	0.9
160.07195	14.3
162.66060	0.6
173.11874	0.6
175.11200	4.0
177.09814	17.4
192.13782	4.4
193.12239	20.2
211.13342	2.5
229.14540	0.5
232.14519	4.9
234.16209	0.5
235.14485	0.5
240.13437	0.6
267.13437	0.7
267.15952	5.4
268.16513	1.2
284.18680	0.9
324.19412	2.0
342.20355	2.8
344.22028	1.2
360.21255	15.7
360.25354	0.8
443.25470	0.8
461.26102	8.5
463.37540	0.5
471.25601	0.5
491.37943	0.6
522.26654	2.9
623.31567	4.0
785.36584	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	785.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	6.0
57.03438	1.5
57.07068	1.5
60.04553	1.0
62.42676	1.1
67.05494	2.6
69.03426	6.8
69.07059	1.7
71.04643	1.6
71.04998	27.5
73.02927	6.1
73.06554	5.0
79.05478	1.5
81.07057	10.5
83.04988	1.9
83.08169	1.1
83.08607	9.1
85.02887	2.2
85.06542	12.2
91.05494	1.4
93.07037	2.7
95.08620	8.7
97.10170	16.3
105.07044	2.2
107.08591	36.0
109.10141	21.1
119.08598	9.1
121.10152	8.3
121.36401	1.2
123.11715	17.3
125.09624	57.5
127.11211	9.0
131.08568	5.9
133.10123	6.7
135.11707	4.7
137.13182	1.3
141.12750	9.2
143.08742	2.4
143.10675	100.0
145.10133	7.7
147.11673	13.5
149.13252	2.3
157.10112	4.9
159.11655	8.5
161.13217	6.1
169.10124	1.8
171.11716	5.4
173.13278	8.8
175.11159	1.6
175.14810	5.3
183.11723	5.5
185.13167	8.3
187.14793	7.4
189.16345	1.5
195.11638	1.6
197.13275	4.5
199.14772	4.2
201.16406	5.1
209.13281	2.4
211.14827	5.9
213.16411	2.3
215.17963	2.3
223.14879	2.4
225.16368	4.6
227.17944	2.2
237.16515	2.3
239.17946	2.1
241.19540	1.6
243.17395	2.1
251.18022	2.4
253.19423	1.9
255.17589	1.3
279.21198	2.6
296.88672	1.5
297.22128	2.3
310.22824	1.3
401.31631	1.8
407.33044	1.7
412.56812	1.3
419.33090	15.4
425.34204	1.4
437.34109	31.6
455.35040	22.4
473.36261	6.8
569.37701	1.5
587.39172	4.9
607.27545	1.4
736.86481	1.3
785.45581	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	785.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	6.0
57.03438	1.5
57.07068	1.5
60.04553	1.0
62.42676	1.1
67.05494	2.6
69.03426	6.8
69.07059	1.7
71.04643	1.6
71.04998	27.5
73.02927	6.1
73.06554	5.0
79.05478	1.5
81.07057	10.5
83.04988	1.9
83.08169	1.1
83.08607	9.1
85.02887	2.2
85.06542	12.2
91.05494	1.4
93.07037	2.7
95.08620	8.7
97.10170	16.3
105.07044	2.2
107.08591	36.0
109.10141	21.1
119.08598	9.1
121.10152	8.3
121.36401	1.2
123.11715	17.3
125.09624	57.5
127.11211	9.0
131.08568	5.9
133.10123	6.7
135.11707	4.7
137.13182	1.3
141.12750	9.2
143.08742	2.4
143.10675	100.0
145.10133	7.7
147.11673	13.5
149.13252	2.3
157.10112	4.9
159.11655	8.5
161.13217	6.1
169.10124	1.8
171.11716	5.4
173.13278	8.8
175.11159	1.6
175.14810	5.3
183.11723	5.5
185.13167	8.3
187.14793	7.4
189.16345	1.5
195.11638	1.6
197.13275	4.5
199.14772	4.2
201.16406	5.1
209.13281	2.4
211.14827	5.9
213.16411	2.3
215.17963	2.3
223.14879	2.4
225.16368	4.6
227.17944	2.2
237.16515	2.3
239.17946	2.1
241.19540	1.6
243.17395	2.1
251.18022	2.4
253.19423	1.9
255.17589	1.3
279.21198	2.6
296.88672	1.5
297.22128	2.3
310.22824	1.3
401.31631	1.8
407.33044	1.7
412.56812	1.3
419.33090	15.4
425.34204	1.4
437.34109	31.6
455.35040	22.4
473.36261	6.8
569.37701	1.5
587.39172	4.9
607.27545	1.4
736.86481	1.3
785.45581	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	785.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	5.2
57.03439	7.7
58.55451	4.1
62.85827	3.7
62.93309	3.7
64.99216	3.7
65.71807	3.6
67.05487	6.4
69.03439	18.4
69.07062	7.0
71.04984	27.0
71.30148	3.5
73.02922	27.4
76.05132	4.1
79.05485	5.6
81.07084	16.8
83.04999	6.2
83.08620	5.4
85.02912	24.7
85.06552	7.4
93.07034	4.9
95.08613	22.3
97.02902	22.0
97.10188	21.2
104.01605	4.2
105.07050	7.6
107.08618	48.0
109.10161	37.7
115.03892	16.0
119.08582	19.8
120.08167	5.4
121.10164	19.9
123.11716	26.2
125.09656	45.4
127.03938	4.5
127.11208	21.9
129.06976	5.4
131.08546	4.8
133.10150	8.2
135.11694	5.2
143.08601	6.0
143.10687	100.0
147.11720	32.4
149.79898	4.6
157.10173	5.6
159.11713	9.5
161.13228	5.4
171.11641	9.0
173.13229	6.9
175.14975	4.9
183.11617	6.1
185.13220	9.6
187.14963	5.4
199.14861	6.5
215.18007	7.4
253.19493	5.6
279.20862	5.1
405.39792	5.4
419.32935	29.3
437.34131	81.5
455.35110	71.0
473.35962	17.1
785.45941	11.0
808.52802	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	786.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.0
57.03447	1.1
61.02929	0.7
69.03436	5.9
70.06584	0.6
71.82671	0.4
73.02895	0.8
81.03426	5.9
84.01347	0.5
85.02914	11.1
87.00833	4.5
90.09201	0.5
91.05482	2.8
93.51132	0.5
97.02872	3.5
98.53853	0.5
99.04453	2.6
103.05452	3.0
105.01879	3.2
105.07011	0.7
107.04949	0.7
109.02874	6.7
109.06481	1.8
109.71210	0.5
115.03960	0.5
115.05441	1.0
117.07002	0.7
119.08586	3.7
120.08150	0.7
122.03631	2.2
127.03930	7.3
128.06245	0.6
129.07014	1.9
131.04921	16.9
132.05692	2.7
133.06490	2.3
137.05983	88.4
145.04994	1.0
145.06517	0.7
147.04469	0.5
147.08044	8.4
149.05978	1.9
151.07559	2.1
159.02896	3.3
160.05164	1.8
161.05965	13.7
163.07532	34.8
169.06477	2.3
175.07544	100.0
177.05453	0.9
177.09126	2.9
187.07568	4.9
189.09064	1.2
199.07523	9.6
201.09088	5.4
203.08600	1.8
219.08073	2.8
231.05835	0.6
231.08067	6.0
233.09605	0.7
233.32697	0.6
233.90065	0.5
247.07465	2.1
248.08250	0.7
251.10661	9.5
259.07516	6.3
260.08298	2.9
261.09134	1.1
263.10608	7.2
265.08640	0.7
265.12219	0.9
276.07822	2.5
277.08521	1.0
278.09354	0.6
279.10120	5.1
291.10165	14.4
292.10886	3.2
293.08276	0.6
293.11749	2.8
295.13345	1.1
308.10477	2.3
311.12808	9.3
323.12787	24.8
325.14334	31.9
335.12891	0.7
341.13788	4.2
353.13937	0.7
363.29706	0.5
467.69019	0.6
541.16602	0.9
559.17645	1.9
589.10272	0.9
589.19159	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	786.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.4
57.03434	0.4
57.16126	0.4
60.99146	0.3
61.02926	0.6
68.99793	0.6
69.03438	6.7
69.22567	0.4
70.06603	0.9
71.04990	1.9
73.02921	1.7
73.97691	0.4
81.03427	7.4
84.08147	0.5
85.02910	15.9
86.09705	0.5
87.00846	4.6
91.03944	0.5
91.05473	0.7
97.02894	7.2
99.04453	4.1
103.05459	0.5
105.01873	4.0
105.07043	0.9
109.02203	0.6
109.02886	8.3
109.06499	1.0
115.03917	0.8
115.05417	0.7
117.01871	0.5
117.07027	0.5
119.08554	0.6
121.06511	0.5
122.03662	1.9
125.65549	0.4
127.03927	12.1
129.01799	0.8
129.07031	0.8
129.10202	0.4
130.86121	0.4
131.04915	2.4
133.06499	3.7
137.05984	100.0
143.04929	2.0
145.04984	3.5
145.06523	0.7
147.03035	0.5
147.04398	0.9
147.08060	2.4
147.11325	0.4
149.05969	3.2
151.03961	0.6
151.07564	2.7
154.15771	0.4
157.06548	0.9
159.02907	4.6
159.08035	0.9
160.05222	0.7
161.05981	16.2
163.07526	4.1
175.07544	41.7
177.05403	1.3
179.06993	0.6
185.06024	0.7
187.07545	18.7
189.09125	2.1
191.08508	1.4
199.07555	6.3
203.06967	0.5
205.08644	2.0
217.08507	1.5
219.08070	8.2
229.08685	1.5
231.05016	1.9
231.08063	2.5
233.09767	0.6
235.09529	3.8
236.08177	0.6
241.08591	0.6
246.06355	0.5
247.07518	7.4
248.08290	0.8
251.10667	33.2
253.12134	0.5
254.81419	0.5
259.07602	3.4
260.08289	0.5
261.09094	2.1
263.10690	3.8
264.07828	1.5
265.08521	0.6
271.09689	0.7
275.10718	1.0
276.07932	0.8
277.08600	0.7
279.10147	24.9
280.10870	1.6
283.13187	0.5
289.08554	0.5
291.10141	12.4
292.10959	2.8
293.11740	0.6
295.13330	0.6
296.10413	1.7
297.11230	0.7
303.10254	1.0
308.10522	0.9
309.11093	0.7
311.12784	43.2
319.09979	0.5
321.11197	2.4
323.08923	0.7
323.12784	21.1
325.14255	2.9
333.11322	0.9
335.12756	2.4
341.13879	12.1
347.12891	0.7
353.13846	2.6
365.13779	1.6
377.13562	1.7
401.13989	2.8
419.14963	1.7
487.13425	0.5
505.14679	2.0
523.16003	5.8
541.17242	7.3
559.18091	20.7
589.19092	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	787.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
61.82291	2.0
68.51438	2.0
95.94823	2.4
102.70742	2.4
111.25024	2.5
153.02672	2.6
203.18468	2.4
222.72505	2.7
230.89577	2.7
238.72325	2.5
272.51199	2.7
341.88480	2.6
623.38794	3.8
665.40082	4.9
683.40283	10.5
723.32343	2.9
743.42950	4.8
787.42371	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.3
57.03440	23.1
57.29614	1.6
61.02930	4.4
67.05509	3.2
67.33015	1.6
69.03431	34.8
69.07074	19.0
71.01360	2.6
71.04973	4.6
73.02920	55.8
79.05479	4.0
81.03416	7.1
81.07053	27.2
82.88759	1.6
83.08622	7.8
84.08099	2.2
85.02906	56.5
89.78813	1.5
91.05486	4.6
92.21589	2.7
93.07050	21.3
95.04972	2.6
95.08597	41.9
97.02891	73.7
97.06551	1.8
97.10172	9.3
99.08085	3.4
105.07037	16.4
107.08588	31.5
109.02858	3.1
109.10152	46.6
115.03931	35.4
117.06989	2.1
119.08565	32.7
121.10139	35.5
123.11698	23.3
125.09621	3.1
127.03931	15.6
127.11205	14.4
131.08554	15.5
131.13795	1.8
133.04950	3.0
133.10126	28.3
135.11676	30.3
137.13245	7.7
143.10666	4.1
145.04939	11.1
145.10126	19.7
147.11681	25.8
149.13251	18.0
151.11200	18.4
157.10117	2.3
159.11658	26.1
161.13223	20.3
163.14812	10.3
165.12633	2.2
169.10059	2.8
171.11594	2.4
173.13254	16.1
175.14787	19.4
177.16365	3.0
185.13133	3.4
187.14815	28.4
189.16374	29.1
191.17921	11.1
199.14735	2.4
201.16393	33.0
201.36444	2.0
203.17940	20.1
207.17432	8.3
213.16347	7.5
215.17882	13.9
217.19495	9.7
223.06042	2.7
227.17804	3.7
233.19043	2.0
241.06906	3.5
255.21059	3.0
259.08191	4.1
269.22369	2.1
281.22473	2.1
283.24203	2.7
295.10159	4.4
314.93924	1.9
405.35303	16.9
423.36200	87.0
441.37228	100.0
459.38260	54.4
477.39319	30.7
573.41730	6.3
732.84326	2.0
788.50751	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	788.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.3
57.03440	23.1
57.29614	1.6
61.02930	4.4
67.05509	3.2
67.33015	1.6
69.03431	34.8
69.07074	19.0
71.01360	2.6
71.04973	4.6
73.02920	55.8
79.05479	4.0
81.03416	7.1
81.07053	27.2
82.88759	1.6
83.08622	7.8
84.08099	2.2
85.02906	56.5
89.78813	1.5
91.05486	4.6
92.21589	2.7
93.07050	21.3
95.04972	2.6
95.08597	41.9
97.02891	73.7
97.06551	1.8
97.10172	9.3
99.08085	3.4
105.07037	16.4
107.08588	31.5
109.02858	3.1
109.10152	46.6
115.03931	35.4
117.06989	2.1
119.08565	32.7
121.10139	35.5
123.11698	23.3
125.09621	3.1
127.03931	15.6
127.11205	14.4
131.08554	15.5
131.13795	1.8
133.04950	3.0
133.10126	28.3
135.11676	30.3
137.13245	7.7
143.10666	4.1
145.04939	11.1
145.10126	19.7
147.11681	25.8
149.13251	18.0
151.11200	18.4
157.10117	2.3
159.11658	26.1
161.13223	20.3
163.14812	10.3
165.12633	2.2
169.10059	2.8
171.11594	2.4
173.13254	16.1
175.14787	19.4
177.16365	3.0
185.13133	3.4
187.14815	28.4
189.16374	29.1
191.17921	11.1
199.14735	2.4
201.16393	33.0
201.36444	2.0
203.17940	20.1
207.17432	8.3
213.16347	7.5
215.17882	13.9
217.19495	9.7
223.06042	2.7
227.17804	3.7
233.19043	2.0
241.06906	3.5
255.21059	3.0
259.08191	4.1
269.22369	2.1
281.22473	2.1
283.24203	2.7
295.10159	4.4
314.93924	1.9
405.35303	16.9
423.36200	87.0
441.37228	100.0
459.38260	54.4
477.39319	30.7
573.41730	6.3
732.84326	2.0
788.50751	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	792.5614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	18.1
57.03440	10.5
57.07076	2.5
58.28575	1.7
58.90079	1.6
61.02914	1.7
67.05511	75.4
69.07070	22.3
79.05503	36.8
81.07064	90.8
83.08627	13.2
85.02913	2.3
91.05472	17.4
93.07042	62.1
95.05009	3.0
95.08614	68.4
97.06517	4.5
97.10155	7.4
105.07030	23.2
107.08599	42.3
109.06547	2.3
109.10158	32.3
117.07004	11.0
118.62021	1.7
119.08558	22.9
121.10140	38.0
123.11695	13.7
131.08569	19.2
131.98860	2.2
133.10143	16.9
135.11702	25.7
145.10115	14.9
147.11673	13.6
149.13249	12.6
157.10127	2.6
159.11670	14.0
161.13309	10.9
163.14827	2.9
171.11705	4.4
173.13251	9.8
185.13290	4.3
187.14854	3.1
241.19572	4.3
243.21106	4.6
259.20569	8.5
261.22098	21.2
333.24249	10.2
335.25797	100.0
337.27347	18.4
489.35623	2.2
505.58014	2.5
521.43903	2.2
529.39282	2.6
543.47955	2.0
595.47314	35.4
613.48254	70.1
749.31165	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	792.5947
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55999	0.5
59.15613	0.6
60.19931	0.5
65.28387	0.7
69.07071	1.5
74.40961	0.6
79.05458	0.7
92.21208	1.6
95.87939	0.7
96.07516	1.2
96.08128	19.9
110.17108	0.6
112.00629	0.7
113.10783	7.5
114.09166	82.6
115.07552	1.3
132.10255	1.1
208.18164	2.4
209.16490	41.4
210.14905	1.1
226.19121	17.5
226.21039	1.1
227.17520	8.9
228.15929	24.7
245.18654	4.0
321.26660	3.2
322.24872	26.1
323.23157	0.8
339.27591	9.8
340.26071	4.4
341.24374	10.8
358.27261	1.2
399.92276	0.7
434.35028	3.4
435.33310	8.1
452.36026	6.7
453.34271	1.5
454.32962	2.6
547.43573	1.0
548.41638	3.0
565.44122	2.7
566.43018	1.0
567.42145	0.8
660.51660	0.9
661.49237	0.9
678.52954	0.7
679.50037	1.1
774.58746	2.8
792.59540	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.5771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	8.8
57.07065	3.4
61.83740	4.1
62.00492	3.7
67.05507	75.4
69.07066	27.5
76.95176	3.8
79.05486	28.5
79.12198	3.7
81.05930	3.5
81.07053	75.6
83.08632	17.5
91.05483	9.6
93.07053	48.2
95.08608	80.5
97.10157	4.5
105.07011	9.6
107.08593	33.4
109.10143	37.5
119.08579	23.2
121.10144	36.4
123.11742	17.3
133.10115	9.9
135.11708	9.9
137.13313	6.6
147.11694	6.8
149.13290	6.9
157.86681	4.4
159.11658	8.4
161.13275	17.4
233.26022	4.4
244.39777	4.7
261.22159	9.6
335.25864	63.5
337.27322	68.8
470.32001	4.9
597.48688	28.0
615.49799	100.0
626.51685	5.4
711.50079	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	795.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.3
57.07083	6.0
61.02930	0.4
68.99783	0.2
69.03434	5.4
71.04995	0.6
73.02911	0.4
81.03429	8.1
85.02908	7.6
85.06550	4.2
87.00830	2.2
91.03918	0.2
97.02893	5.0
99.04452	1.9
103.07539	0.2
104.14692	0.2
105.01878	1.3
109.02883	6.6
109.10146	0.2
113.47282	0.2
117.01820	0.2
127.03919	6.2
129.01910	0.2
145.02858	0.4
145.04951	1.9
147.02887	0.2
159.02873	2.0
177.05424	1.8
213.34766	0.2
229.10739	3.0
231.04967	0.6
247.11777	1.5
257.98737	0.2
301.07062	100.0
343.08264	0.6
357.17963	0.3
547.18103	14.6
549.11859	0.3
631.32245	0.2
773.19458	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	795.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.4
57.07085	9.4
69.03434	4.5
71.04989	0.9
73.02918	0.5
81.03430	7.5
81.07101	0.3
85.02913	6.1
85.06548	1.4
87.00834	1.8
93.07085	0.2
95.08616	0.4
97.02894	5.5
99.04456	1.5
103.07584	0.4
104.36282	0.2
105.01868	0.9
108.85539	0.2
109.02881	5.6
109.10151	0.4
117.01845	0.4
127.03914	5.3
129.01799	0.3
133.10132	0.4
141.01862	0.5
145.04948	1.9
147.11670	0.3
157.09987	0.3
159.01767	0.3
159.02850	2.4
159.11723	0.4
162.77193	0.2
175.14854	0.3
177.05415	0.2
215.14391	0.3
229.10690	3.1
247.11732	2.3
284.85773	0.3
301.07062	100.0
343.08102	0.5
369.43069	0.3
451.31760	0.3
463.82199	0.3
469.32758	1.7
547.18158	12.3
795.40118	1.6
809.38757	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	795.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
69.62160	0.4
75.34869	0.3
109.99123	0.4
136.02707	0.4
142.58899	0.5
238.14771	0.6
297.15637	0.4
310.42499	0.4
409.16205	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.4
57.07076	2.7
60.50747	0.9
62.34869	1.0
65.38022	1.1
67.05502	5.0
69.03425	4.9
69.07063	2.5
69.88796	0.9
71.01382	1.0
71.24404	1.1
73.02909	7.0
73.22359	0.9
79.05505	1.5
79.88319	1.1
80.88627	1.1
81.03445	1.7
81.07053	12.1
83.08615	1.8
85.02903	12.4
91.05509	1.1
93.07070	8.3
94.04813	1.0
95.01321	6.6
95.08604	29.4
97.02915	14.5
97.06540	1.3
97.35920	1.0
105.07026	8.3
107.08610	18.1
109.02892	2.4
109.10164	18.6
111.08074	5.3
113.02379	1.4
115.03920	5.4
119.08585	13.0
121.10146	15.6
123.08081	2.4
123.11682	7.6
127.03881	1.8
133.10121	12.3
135.11694	17.0
139.11121	1.3
141.01834	36.0
145.10104	9.0
145.57672	1.2
147.11705	16.3
149.09653	1.3
149.13280	17.7
157.10123	4.8
159.02917	5.8
159.11690	14.2
161.09604	1.8
161.13246	15.4
163.14815	8.8
169.08611	2.6
169.10085	4.8
171.11717	9.3
173.13251	14.5
175.11200	1.4
175.14821	11.4
177.05495	1.5
177.16379	8.5
179.10600	2.0
183.11681	2.4
185.13210	10.5
187.14830	7.0
189.12767	1.6
189.16389	11.3
190.71812	1.2
191.17953	1.5
193.08630	1.6
197.13261	5.8
199.14845	7.6
201.16321	10.0
203.14415	9.0
203.17975	7.2
205.15912	2.3
207.10019	1.7
207.17464	2.8
208.13707	1.3
211.14886	4.8
213.16402	2.6
215.17982	7.4
217.12186	1.8
217.15900	2.7
219.17383	4.2
223.14929	1.4
229.19563	1.3
231.13789	4.6
233.15355	2.3
237.16449	1.8
243.13803	1.6
245.15475	2.1
257.15347	10.3
261.56433	1.3
275.16342	8.3
285.18585	1.9
289.17874	2.7
297.18552	1.7
301.07053	29.6
303.19550	1.9
315.19559	2.1
387.81125	1.2
405.31509	1.7
411.28833	9.9
423.32947	1.4
433.31067	5.3
439.32098	10.0
451.32083	48.7
469.33139	100.0
547.17773	2.3
550.95862	1.2
609.33789	1.4
627.35229	16.2
795.41309	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	795.4518
Annotation	Spinasaponin A
Peak:m/z	Relative Intensity
61.02915	5.1
67.05505	1.5
68.87665	0.9
69.03431	1.0
73.02922	2.2
74.39616	0.9
79.91942	1.0
81.07060	5.7
85.02901	12.2
91.03958	9.6
93.07045	2.2
95.01325	6.2
95.08614	17.3
95.76926	0.9
97.02880	7.0
97.06579	1.3
101.19532	0.9
105.07038	4.0
107.08589	11.1
109.10188	9.4
111.08083	2.4
116.24637	1.0
119.08588	5.3
121.10168	7.1
123.11704	5.0
125.09663	0.9
127.03895	4.5
133.10109	6.9
135.11700	9.0
139.11160	4.6
141.01822	36.1
145.04947	5.1
145.10095	5.0
147.11696	6.1
149.13271	11.7
151.11166	1.4
159.11655	9.0
161.13280	8.8
163.06059	5.7
163.14828	3.5
171.11703	1.4
173.13266	6.0
175.14803	8.0
177.16360	5.7
187.14854	4.7
189.16316	4.1
199.14839	1.8
201.16414	8.0
203.17953	2.3
205.15678	1.4
213.16409	1.9
215.18002	7.9
217.19482	1.3
219.17403	7.0
225.16405	1.4
227.17931	6.0
239.17819	1.1
241.19350	1.4
245.19002	6.8
252.34872	1.0
257.18808	1.2
259.20660	1.6
273.22076	2.0
285.22174	1.7
295.24133	1.2
329.16400	1.1
381.31454	2.4
409.16208	100.0
421.34695	21.7
439.35684	59.4
482.85736	1.5
555.11725	1.1
597.37769	12.5
795.45569	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	795.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07070	1.0
63.02821	0.7
67.05493	2.7
68.67007	0.6
69.03432	5.0
69.07066	1.9
69.24738	0.7
71.04999	16.5
73.06545	5.0
81.07066	5.4
83.04968	1.6
83.08630	5.3
85.02908	11.8
85.06551	8.9
93.07042	0.9
93.17879	0.8
95.08617	23.1
97.02910	3.1
97.10178	11.4
105.07039	1.6
107.08598	25.5
109.10149	7.2
116.40095	0.7
119.08575	3.2
121.10132	3.7
123.11707	7.3
125.09637	46.6
127.03912	1.2
127.11216	3.9
133.10143	3.3
135.11710	1.9
139.11240	1.5
141.01843	7.5
141.12712	1.8
143.08540	4.6
143.10678	100.0
145.05000	1.9
145.10103	3.3
147.11719	4.0
149.13269	3.4
157.10132	1.8
159.11713	3.2
161.13257	1.1
163.06010	0.9
163.11150	0.9
163.14801	1.7
163.74500	0.9
169.10071	1.7
171.11681	2.8
171.74159	0.9
173.13240	1.3
175.14812	3.2
180.24516	0.9
181.10098	1.1
183.11702	1.6
185.13287	3.2
195.11644	1.2
197.13286	1.8
199.14842	3.7
201.16385	1.8
209.13242	1.4
211.14755	5.8
215.18013	1.1
219.17561	3.3
221.13324	1.6
223.14749	1.1
225.16339	11.1
235.14648	1.0
237.16219	1.2
243.17331	6.2
245.18915	1.6
249.16388	4.9
251.17924	4.1
263.17947	1.5
269.18912	1.0
275.17819	1.0
277.19489	1.3
295.20575	4.0
302.33752	0.9
331.24252	1.2
332.75009	0.8
378.82651	0.9
409.16092	3.9
417.31424	6.7
421.34573	5.2
435.32565	22.2
439.35800	11.0
453.33621	21.9
471.34570	3.8
597.38123	3.1
615.38708	1.5
632.36780	0.9
643.48163	1.0
700.49896	1.0
713.17352	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	795.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.1
59.96542	1.1
61.02938	6.1
67.05509	2.6
69.03416	2.1
69.07066	2.8
73.02923	2.4
81.07065	11.7
83.08611	1.3
85.02909	21.6
91.03969	6.5
91.05522	1.6
93.07037	9.2
95.01334	6.9
95.08611	32.8
97.02879	8.2
97.06538	2.8
97.10135	1.9
105.07024	5.5
107.08591	16.9
109.10146	19.4
111.08092	7.3
113.02387	2.6
119.08582	11.2
121.10116	13.7
123.11713	6.2
127.03935	2.9
131.08577	2.5
133.10118	16.5
135.11688	14.1
137.13232	4.8
139.11140	13.0
141.01837	56.9
143.08472	1.3
145.04947	2.6
145.10136	5.9
147.11664	11.0
149.13272	19.8
151.11157	1.4
157.10031	1.7
159.02884	6.2
159.11711	12.6
161.13275	15.9
163.06009	6.2
163.11134	3.1
163.14778	6.0
165.12744	2.6
171.11581	1.6
173.13243	7.6
175.14819	12.9
177.12839	1.5
177.16428	12.0
185.13271	2.7
187.14735	11.0
189.16364	9.6
191.14334	2.1
191.17920	1.7
195.17476	2.0
197.13304	1.4
199.14857	2.2
201.16379	15.8
203.14442	1.7
203.17981	8.0
205.15869	5.8
207.17416	1.5
213.16460	3.1
215.17953	12.6
217.15981	1.8
217.19461	2.9
219.17430	11.9
227.18019	9.3
229.19547	2.4
245.19026	12.7
253.19598	1.4
255.21150	2.8
267.21069	1.4
269.22620	2.4
273.22174	2.5
284.01199	1.4
285.22031	5.4
295.24194	1.7
381.31543	2.4
386.55499	1.5
409.34302	1.9
421.34680	40.0
439.35684	100.0
457.36804	1.9
597.37860	22.7
615.38934	2.7
694.86310	1.5
795.45282	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	795.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	1.8
61.02917	4.9
67.05505	22.2
68.79159	2.0
69.03432	11.5
69.07081	17.4
71.04986	2.4
73.02916	2.1
77.91338	2.3
79.05510	9.3
81.03439	3.4
81.07056	34.5
83.04973	4.8
83.08604	3.2
85.02899	60.4
86.09705	2.6
91.05489	5.4
93.07035	22.5
95.04971	3.0
95.08609	40.3
97.02895	18.0
97.10184	4.4
99.08112	5.6
105.07039	14.8
107.08589	32.3
109.02877	4.9
109.06535	3.1
109.10156	87.6
109.10902	3.2
119.08545	25.9
121.10127	25.1
123.11722	11.6
127.03899	14.7
127.11197	8.9
129.06973	4.4
131.08568	12.0
133.10098	18.8
135.08058	3.3
135.11700	17.8
137.09633	4.5
143.08568	4.6
145.04982	11.0
145.10155	15.5
147.11674	21.5
149.13266	12.8
155.08533	3.5
157.10138	13.2
159.08134	2.7
159.11674	15.7
161.09543	3.9
161.13275	4.9
163.06035	3.7
163.07568	2.3
169.10133	12.5
171.11687	15.8
173.09610	9.2
173.13242	14.7
175.11148	3.1
175.14801	22.2
177.12791	2.7
181.10133	4.6
183.11636	8.9
185.09648	3.6
185.13234	14.4
187.11122	2.8
187.14818	10.0
189.16278	4.2
195.11678	5.8
197.13266	9.8
199.14803	5.3
201.16391	4.1
207.11771	4.0
209.13263	11.3
211.14827	5.2
213.12601	4.4
213.16362	8.7
215.14337	3.3
221.13239	3.2
223.14825	8.7
225.16414	11.4
227.14233	2.8
227.17992	4.0
235.14861	4.2
237.16422	5.6
239.14142	2.6
239.17899	8.3
247.17163	2.3
251.17982	4.6
253.19640	3.6
263.17813	8.2
265.19449	5.3
267.21024	3.8
278.20139	2.5
279.21078	4.9
281.19238	3.0
283.20609	8.8
291.21039	5.0
293.19028	2.6
295.20602	9.1
305.22617	4.1
309.22159	3.9
319.24158	3.2
323.23615	13.3
331.24271	4.9
335.50040	3.0
349.25323	10.1
353.24783	3.3
371.25720	9.7
387.30023	2.9
389.31732	5.4
397.27298	8.8
399.30649	3.4
405.31671	16.7
407.33154	5.5
417.31558	28.1
423.32526	10.0
435.32553	66.9
441.34009	2.9
453.33591	100.0
471.34500	25.8
533.30945	9.5
579.36133	2.7
585.37024	3.1
597.37720	18.5
609.82043	2.5
615.39063	39.7
633.39148	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	796.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41306	1.6
64.31774	1.9
67.05506	13.0
69.07061	10.3
79.05493	2.4
81.07060	25.6
85.02909	3.3
88.94528	2.1
91.05436	3.0
93.07034	10.7
95.08616	25.6
97.10147	2.8
99.08101	3.6
105.07025	12.5
107.08607	22.4
109.10157	41.2
117.07011	3.2
119.08597	17.1
121.06505	2.3
121.10125	16.9
123.11715	4.6
127.03913	2.3
131.08578	8.3
133.10132	17.4
135.11702	13.5
137.09590	2.9
143.08563	3.7
145.10118	14.5
147.11682	10.7
147.58325	2.6
149.09630	3.2
149.13274	3.8
155.08554	3.3
157.10123	14.7
159.11697	5.2
161.13220	15.0
163.11328	2.5
164.14531	2.0
169.10085	3.9
171.11694	11.0
173.13303	17.5
175.14830	16.5
181.10139	3.7
183.11700	10.0
185.13193	3.1
187.11292	3.4
187.14819	14.5
195.11664	5.3
197.13263	5.3
199.14748	3.7
201.16344	3.8
209.13243	5.2
211.14854	4.9
213.16466	2.8
221.13321	2.5
223.14851	4.3
225.12830	2.4
225.16336	4.1
227.17999	2.8
229.15962	2.5
235.14891	3.8
237.16277	8.5
241.19542	4.4
251.18002	4.8
253.19550	3.3
265.19528	4.1
277.19528	4.2
281.18985	3.2
283.20593	4.0
291.21017	3.4
295.20551	2.6
305.22726	4.7
311.23718	2.6
365.24661	8.9
387.30252	8.7
389.31921	3.0
391.26279	9.0
397.28070	2.8
405.31430	3.5
413.26721	14.3
417.31458	13.6
435.32608	31.0
453.33572	26.5
465.33224	2.4
477.33728	16.8
495.34708	100.0
513.35852	24.6
701.38580	4.6
743.39063	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	796.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
66.31783	0.8
67.05501	5.5
69.07076	2.0
69.38132	0.9
81.07075	8.1
83.05019	0.9
85.02900	4.4
91.05487	1.4
93.07040	6.5
95.08616	12.8
97.02914	1.4
105.07024	8.7
107.04952	1.5
107.08585	11.5
109.02898	1.5
109.10163	23.0
119.08591	13.1
121.06514	1.0
121.10170	6.8
123.11713	1.7
125.09621	1.4
127.03873	4.5
131.08577	8.9
133.06487	6.6
133.10127	6.6
135.04425	3.7
135.08061	1.5
135.11694	4.3
143.08568	1.6
143.51447	0.9
145.10115	16.0
147.11635	6.6
149.05984	8.7
149.13255	4.3
151.07564	1.1
156.55656	1.0
157.10097	4.9
159.08043	1.7
159.11682	6.5
161.13213	4.8
163.07620	1.3
163.11230	1.3
171.11691	5.4
173.09637	5.0
173.13255	6.2
175.11154	8.2
175.14729	7.2
177.16440	1.2
185.13269	4.6
187.11264	1.3
187.14803	32.7
189.12781	1.3
197.13298	1.2
199.14795	1.9
201.16386	5.3
211.14821	1.7
213.12689	1.0
213.16254	1.5
215.14308	20.8
225.16389	2.3
227.17897	1.6
229.15865	1.5
233.15353	14.6
239.17947	1.6
241.15839	1.5
241.19453	1.0
359.27213	1.6
367.49023	1.0
377.28336	4.2
399.30533	1.1
417.31741	13.0
435.32587	20.7
437.30508	7.6
477.33710	31.2
495.34650	100.0
505.27338	1.0
513.35498	1.5
582.20282	1.0
725.38507	1.6
743.39331	3.9
796.43372	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	797.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40633	0.5
57.03436	0.5
57.16272	0.4
59.38939	0.4
68.37167	0.6
69.03419	4.7
69.07053	0.6
70.06568	1.0
73.02896	0.6
81.03417	5.4
85.02899	8.7
86.09677	0.8
86.89989	0.6
87.00827	4.2
88.23234	0.6
97.02904	4.4
99.04420	2.2
105.01864	1.2
109.02874	5.6
117.01797	0.6
127.03906	8.0
129.01909	0.8
145.04953	1.2
150.15373	0.6
156.35663	0.5
159.02885	0.7
177.05486	1.1
231.04948	0.8
241.34044	0.6
290.64499	0.5
301.07034	100.0
343.08099	0.7
455.34933	1.3
549.12366	43.0
585.15991	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03403	0.3
57.20044	0.1
61.02908	0.7
63.46054	0.1
68.99788	0.3
69.03433	4.9
70.06567	0.4
71.04978	0.6
73.02867	1.0
79.05497	0.2
81.03421	5.7
81.07007	0.3
85.02911	7.6
87.00344	0.1
87.00827	3.3
87.04423	0.2
91.03933	0.3
95.08566	0.3
97.02899	3.0
97.49519	0.2
99.04440	2.2
105.01861	1.6
105.06950	0.2
107.08562	0.2
109.02232	0.3
109.02878	5.6
109.10112	0.2
117.01835	0.7
127.03912	6.4
129.01802	0.8
129.10175	0.2
145.04922	1.7
150.76157	0.2
159.02890	2.7
159.11630	0.2
213.03909	0.2
231.04961	0.9
300.06302	0.2
301.07050	100.0
325.07397	0.2
343.07974	1.6
437.34180	0.8
455.35022	0.2
463.12350	0.9
534.44263	0.2
549.12384	36.4
797.42914	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	797.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05006	3.3
64.68210	0.3
68.81060	0.3
69.03438	6.1
70.06609	0.4
71.04977	0.4
73.02925	0.4
74.29535	0.3
75.05743	0.4
81.03430	5.4
85.02911	10.4
87.00817	2.2
87.04473	2.4
97.02898	7.3
99.04471	2.7
105.01864	0.9
109.02883	4.6
127.03911	9.6
132.44749	0.3
133.14674	0.4
145.04974	2.9
159.02885	1.6
181.48936	0.4
213.07544	0.4
231.08575	1.7
236.82802	0.4
249.09901	0.4
301.07065	100.0
343.08084	0.5
472.07071	0.5
549.15051	5.8
616.29785	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	797.4663
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	3.9
66.83449	2.2
67.05509	25.3
69.03426	16.7
69.07069	16.1
71.05002	3.0
79.05501	6.0
79.90729	2.5
81.03416	5.5
81.07070	32.4
83.08632	4.0
85.02913	44.2
91.05460	3.4
93.07061	23.8
95.04968	3.0
95.08609	57.2
97.02891	16.2
97.06549	5.9
97.10175	3.3
105.07027	25.3
107.08594	40.7
109.02895	4.6
109.10159	87.1
110.10495	2.7
117.06956	3.5
119.08580	40.7
121.10158	34.7
123.11709	15.9
125.09645	3.6
127.03922	12.8
131.08597	14.6
133.10143	31.5
135.11693	16.6
137.09634	10.5
137.13254	3.2
140.92679	2.6
143.08582	10.8
145.04984	11.0
145.10114	29.1
147.11693	40.9
149.13284	15.5
155.08545	3.8
157.10112	17.1
159.11705	34.0
161.09651	3.7
161.13235	22.9
163.14813	4.4
169.10170	10.6
171.11700	21.5
173.13210	26.1
175.11177	3.2
175.14832	14.4
181.10042	3.0
183.11700	5.4
185.13223	20.9
187.14771	24.4
189.12729	4.3
189.16377	17.5
195.11726	4.0
197.13324	11.9
199.14835	20.9
201.12704	3.2
201.16382	15.3
203.17998	5.6
209.13300	13.1
211.14839	13.6
213.16393	22.1
215.14229	3.3
215.17909	13.8
217.15858	5.6
223.14839	4.0
225.16370	11.7
226.17006	3.6
227.17947	13.6
230.12799	3.3
231.17395	6.1
234.54253	2.5
237.16408	4.1
239.17897	4.2
241.19727	5.2
251.17838	5.9
253.19443	6.1
257.19214	3.0
265.19519	3.8
267.21146	11.9
279.20981	4.5
281.19147	3.0
291.20999	4.2
292.21326	3.3
293.22546	4.1
301.07043	35.1
309.22137	4.2
316.12897	2.7
319.24216	4.4
331.24246	3.1
338.41507	3.1
363.26959	5.0
401.32053	20.2
419.33057	75.8
420.33585	16.9
436.33563	3.0
437.34134	100.0
438.34390	13.9
455.35153	53.9
581.38019	14.2
599.39624	30.0
600.39716	11.4
617.39825	15.1
618.41046	4.0
635.41541	5.1
730.40594	2.7
761.44226	3.2
797.46173	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	797.4676
Annotation	Soyasaponin III
Peak:m/z	Relative Intensity
57.03450	3.5
61.02932	3.5
61.53040	1.9
61.63686	1.7
67.05517	31.1
69.03426	12.3
69.07076	17.3
72.73353	1.6
79.05515	3.8
81.03422	4.0
81.07063	31.8
83.04990	2.4
83.08626	8.6
85.02907	56.3
85.03379	3.7
85.06556	3.2
87.04456	1.8
89.94254	1.7
91.03937	3.0
91.05474	4.3
92.20882	1.8
92.21365	4.1
93.07062	15.2
94.85515	1.6
95.08619	34.6
97.02900	19.3
97.10172	3.8
99.04454	3.6
99.08104	11.8
104.78888	1.9
105.07011	14.0
107.08605	36.4
109.02890	4.6
109.06458	2.1
109.10162	100.0
111.08073	2.8
119.08591	28.4
121.10152	31.6
123.11708	12.3
125.09561	1.8
127.03893	14.8
131.08548	10.3
133.10170	24.5
135.08076	3.8
135.11702	17.3
137.13264	2.2
139.88379	2.1
143.08565	7.7
145.04988	13.5
145.10138	15.3
147.07903	2.5
147.11699	21.0
149.05965	2.1
149.09637	3.6
149.13263	10.5
157.10144	13.7
159.11699	16.8
161.09589	3.2
161.13263	16.0
163.14786	2.0
169.10117	8.6
171.11690	10.1
173.13268	18.7
175.11302	3.1
175.14828	31.5
177.16324	2.1
183.11751	8.2
185.13278	12.9
187.14830	12.4
189.16370	4.5
195.11613	2.7
197.13242	9.0
199.14845	7.9
201.16382	4.2
203.18158	2.2
209.13298	2.9
211.14917	7.3
213.16405	8.9
215.14326	8.0
223.14789	2.9
225.16368	11.6
227.17961	22.6
229.19630	2.8
231.17400	2.7
231.94072	2.3
237.16356	2.7
239.17943	7.5
241.15971	3.0
241.19473	10.5
243.17453	3.6
243.21118	2.0
245.19157	4.5
253.19527	3.8
261.18503	2.4
265.19504	7.5
267.21048	2.6
269.19049	9.4
271.20544	7.8
281.22580	3.8
283.20578	2.5
287.19958	2.9
293.22577	7.4
297.22028	3.3
301.07077	12.8
310.50217	2.1
311.23718	3.8
337.25232	3.2
361.29178	2.6
381.27847	3.0
386.10699	1.9
401.32083	11.5
419.33032	45.3
437.34149	84.3
455.35281	34.2
516.92188	2.0
519.61749	2.1
581.38049	7.6
599.39594	30.3
617.40582	39.9
771.11646	2.1
774.82892	2.5
828.33606	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	797.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51809	1.7
57.03455	2.1
61.02921	3.6
67.05502	8.7
69.07050	2.9
70.69003	1.7
79.05476	2.0
81.06659	2.0
81.07066	18.6
83.08633	2.3
85.02909	29.9
91.05427	1.9
93.07042	12.1
95.01328	15.0
95.08606	48.7
96.86290	1.5
97.02888	8.3
103.03953	2.3
105.07032	12.4
107.08600	25.1
109.10157	43.7
111.08093	11.2
113.02339	2.8
119.08581	18.9
121.10146	28.6
121.41733	2.1
123.11718	15.4
123.12458	1.7
127.03899	3.6
131.08549	3.1
133.10129	28.7
135.11682	24.8
137.13292	7.5
139.11150	3.8
141.01823	75.8
141.02911	2.8
145.04953	6.9
145.10109	8.2
147.11674	23.7
149.13263	18.5
159.02861	9.9
159.11694	16.1
161.13208	26.1
163.05989	4.1
163.14795	28.0
165.12773	2.7
173.13269	12.6
175.14795	23.8
177.16380	20.0
187.14815	10.3
189.16371	23.9
191.17926	8.4
193.15788	2.0
195.17448	2.7
199.15056	1.8
201.16356	16.2
203.05521	1.9
203.17966	34.2
205.15927	2.1
207.17429	3.9
213.16402	2.5
215.17926	18.4
217.19460	11.9
219.17421	7.8
221.18987	4.0
227.17975	3.1
229.19463	16.1
233.18979	7.2
241.19342	1.9
243.21158	6.4
247.20650	6.5
255.21219	2.3
257.22589	7.4
271.84824	1.7
285.22052	2.8
335.13525	1.8
383.32980	6.5
405.35196	10.3
423.36209	66.5
441.37225	100.0
581.38220	9.5
599.39264	27.6
617.40063	4.2
678.16022	2.0
781.03760	2.0
797.45471	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	797.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.4
57.07048	1.4
61.02932	15.9
67.05505	3.7
69.03418	1.9
69.07056	6.2
73.02918	7.4
76.69068	1.3
79.05498	3.2
81.07056	23.1
83.08614	3.5
84.48685	1.4
85.02910	28.2
91.03953	21.5
92.21534	1.8
93.07034	12.0
95.01328	13.3
95.08604	45.4
97.02868	16.6
97.10096	1.9
103.03938	2.6
104.00989	1.5
105.07032	8.9
107.08594	24.8
109.10153	38.0
111.08084	10.3
113.02369	5.8
119.08566	20.9
121.10127	32.4
123.11728	14.2
127.03907	9.5
131.03368	1.7
131.08559	2.3
133.10120	24.4
135.11696	29.0
137.13283	7.1
139.11171	3.6
141.01822	95.5
143.47775	1.7
145.04968	7.1
145.10139	6.7
147.11670	22.2
149.13254	26.6
151.11134	2.1
159.02895	13.0
159.11694	12.0
161.13254	25.0
163.06046	17.6
163.14778	21.6
171.11792	3.2
173.13239	12.6
175.14815	24.0
177.16362	15.3
187.14825	12.5
189.16385	20.8
191.17941	9.6
193.15912	1.8
199.14833	2.4
201.16400	20.0
203.17961	35.0
205.15817	3.9
205.19594	2.9
207.17435	8.1
213.16403	1.9
215.17937	12.1
217.15971	2.1
217.19493	18.6
219.17453	5.6
221.18887	3.0
227.17946	2.3
229.19507	17.3
233.18968	6.7
247.20538	8.3
255.21046	3.3
269.22592	3.2
295.23999	2.0
311.27841	1.8
321.08078	1.8
339.09085	3.3
365.32135	2.7
383.32925	3.7
389.53302	1.7
405.35211	11.5
423.36176	71.0
441.37241	100.0
581.38348	3.5
599.39447	36.1
617.40460	7.6
619.27063	1.6
797.46228	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	797.5166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.8
58.10029	0.4
61.02929	3.8
64.55682	0.5
67.05514	3.5
67.83581	0.4
68.92351	0.4
69.03438	2.4
69.07076	0.8
73.02919	4.1
79.05507	1.9
81.03420	0.8
81.07059	6.7
83.04975	0.5
85.02892	6.2
85.30605	0.5
89.06962	0.5
91.03966	4.3
91.05514	1.0
93.07050	4.1
95.08601	3.3
97.02902	4.9
97.36137	0.4
99.04464	0.7
101.02393	1.9
107.08609	0.8
109.10178	2.2
119.08611	0.6
121.10132	1.9
121.72022	0.5
127.03938	1.9
133.10133	0.7
135.11703	1.1
145.10083	0.5
149.13383	0.6
181.07066	0.5
243.08470	2.2
318.46121	0.4
337.28583	0.5
447.17984	0.5
519.29297	6.6
528.04401	0.5
557.62964	0.5
791.74823	0.5
797.51715	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
59.93914	3.0
60.23970	3.0
65.52612	3.4
67.05509	35.8
69.03426	21.1
69.07068	5.8
79.05495	23.6
79.98274	4.1
81.03417	20.8
81.07063	45.5
81.44959	3.7
83.08612	4.0
85.02908	49.8
87.00834	14.3
91.05479	17.1
93.07023	28.2
95.08601	59.6
97.02896	31.6
99.04449	9.5
105.01882	6.3
105.07032	22.2
107.08589	87.0
109.02869	17.5
109.06522	3.8
109.10157	65.1
110.80119	4.3
119.08587	35.8
119.32907	3.7
121.10129	24.5
123.08073	5.0
123.11716	5.7
127.03894	48.3
131.08556	8.1
133.10153	22.5
135.11699	17.4
141.01857	5.1
145.04985	4.9
145.10109	35.6
147.11694	19.3
149.13281	9.4
157.10129	18.9
159.02881	19.2
159.11690	43.3
161.13271	25.8
163.14790	5.9
169.10132	6.8
171.11685	19.0
173.13272	35.3
175.14798	38.9
183.11714	5.4
185.13223	9.6
187.14835	23.9
197.13327	6.2
199.14825	25.5
201.16402	60.2
203.17961	16.7
213.16376	7.9
215.17897	7.6
227.17975	8.9
231.04994	4.4
233.11859	5.5
243.07314	4.5
249.06049	5.0
295.24271	13.6
355.26407	4.4
401.31824	19.8
419.33099	100.0
421.30530	5.0
437.33981	32.7
440.96313	4.9
461.34122	16.0
479.35226	51.9
497.35989	17.6
649.37140	5.5
667.38171	34.7
673.93378	5.5
685.39185	6.5
727.40717	38.5
766.34424	4.4
798.45825	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	798.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62001	1.3
57.07074	2.7
58.10740	1.3
67.05511	24.7
69.03422	7.9
69.07078	19.9
74.25639	1.7
76.91667	1.5
79.01320	1.4
79.05480	6.9
80.05041	1.4
81.03450	2.1
81.07052	29.1
83.08612	3.9
85.02904	11.3
87.00828	2.8
91.05478	2.9
93.07068	16.5
95.08607	43.4
97.02898	3.6
97.06500	1.5
97.10155	2.0
99.04457	1.6
105.01885	2.6
105.07041	18.7
107.08603	33.3
109.02872	3.6
109.06532	2.2
109.10158	91.9
111.08086	2.0
117.06983	1.7
119.08577	35.3
121.06448	1.8
121.10140	34.0
123.08099	2.2
123.11710	13.7
123.43225	1.6
127.03937	11.7
131.08554	10.9
133.10143	23.0
135.08052	7.1
135.11702	19.5
137.09584	3.7
137.13269	3.5
143.08643	11.4
145.10124	31.0
147.08035	1.7
147.11690	24.1
149.09595	3.5
149.13252	11.2
156.09378	2.0
157.10155	18.9
159.08179	2.1
159.11690	27.0
161.09613	2.0
161.13286	18.3
163.11264	1.9
163.14822	7.3
169.10104	8.4
171.11694	21.4
173.09543	3.3
173.13260	24.7
175.11113	2.3
175.14787	14.7
177.16281	1.7
183.11653	11.1
185.13239	16.1
186.14609	1.8
187.11217	3.8
187.14832	24.0
189.12755	2.4
189.16377	9.5
195.11682	3.2
197.13216	5.8
199.14816	13.4
201.12723	2.8
201.16354	8.4
203.17953	2.3
207.11595	2.0
209.13284	7.8
211.14853	8.0
213.16383	13.7
215.14235	1.7
215.17952	3.6
217.15793	3.1
222.14058	2.5
223.14914	3.3
225.16377	9.6
227.18015	7.7
231.17384	2.6
235.14819	6.7
237.16321	19.6
239.17918	6.8
249.16495	2.3
251.17909	6.2
253.19489	9.5
255.17567	2.5
263.17926	3.0
265.19516	6.0
265.54501	1.7
267.21054	2.8
269.19031	3.6
269.22635	2.6
277.19363	3.2
281.22437	2.4
290.19821	1.8
291.21051	2.5
293.22693	3.5
309.22107	2.6
319.23926	1.8
321.25775	2.4
327.74515	1.8
345.25436	2.1
361.28748	2.0
391.33594	2.2
401.32019	32.4
419.33078	73.0
423.86563	1.7
437.33884	13.4
460.69302	2.0
461.34128	16.2
479.35214	100.0
497.36319	43.8
667.38513	19.2
685.38885	6.2
727.40375	26.5
745.41309	31.5
798.45496	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	798.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42886	0.4
57.03430	0.5
57.07076	0.5
61.02931	1.0
61.40871	0.5
67.05511	8.8
69.03433	5.2
69.07069	5.8
69.87160	0.5
79.05483	1.3
79.13776	0.5
81.03411	2.1
81.07063	11.2
81.07498	0.9
83.04948	0.7
83.08607	2.3
85.02909	15.7
87.04479	0.9
91.05463	1.2
92.20888	0.7
93.07043	3.3
95.04967	1.1
95.08605	13.7
97.02888	4.4
97.10152	1.0
98.58247	0.5
99.04480	0.6
105.07047	4.4
107.08607	8.1
109.02888	1.2
109.06506	2.8
109.10155	38.3
111.08068	1.3
117.07035	0.7
119.08575	7.8
120.35181	0.6
121.10140	6.1
123.08125	0.7
123.11711	10.4
127.03918	5.2
128.20137	0.6
128.47343	0.6
131.08546	2.9
133.10138	6.6
135.11713	3.8
143.08575	0.8
145.04971	2.7
145.10124	8.0
147.11642	7.6
149.09647	0.7
149.13271	5.0
150.47020	0.5
151.11191	8.4
157.10130	2.8
159.11696	8.1
161.13222	6.1
163.14804	1.0
164.28940	0.6
165.12854	0.6
169.10199	0.8
171.11653	5.8
173.13208	6.6
175.14751	5.0
183.11740	0.6
185.13240	4.6
187.14825	7.3
189.16391	2.6
191.14401	0.7
197.13168	0.9
199.14825	4.1
201.16411	3.4
203.17937	0.8
209.13240	0.7
211.14789	0.9
213.16400	2.2
215.17966	3.0
225.16367	0.6
227.17949	0.9
229.19664	0.9
233.19022	0.8
237.16295	0.8
241.19467	0.8
251.18086	0.6
255.21054	16.7
267.21094	0.9
273.22141	6.6
310.08401	0.5
321.25690	0.7
339.27042	0.8
347.27078	0.8
347.55411	0.5
351.30411	1.2
365.28329	0.8
369.31281	1.0
403.33551	3.2
421.34631	10.8
439.35718	7.8
565.39435	0.6
583.39813	0.9
601.40979	100.0
614.39600	0.6
689.84692	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44704	1.1
61.02916	3.0
62.33138	1.1
67.05507	20.9
67.18419	1.0
69.03424	7.4
69.07075	13.6
71.04981	1.4
74.95883	1.1
79.05494	4.9
81.03395	1.8
81.07059	22.3
83.08624	8.0
85.02904	25.3
87.04467	1.2
91.05473	2.6
93.07050	14.9
95.08012	1.5
95.08601	32.9
96.46279	1.2
97.01941	1.3
97.02893	10.9
97.10139	2.6
97.35464	1.2
105.07022	9.8
107.08601	27.0
109.02887	1.4
109.10155	100.0
117.06950	1.5
119.08559	15.0
121.10136	29.8
123.08077	1.4
123.11700	13.8
125.09635	1.7
127.03937	6.1
131.08578	5.0
133.10114	16.4
135.08092	4.8
135.11665	15.9
137.09636	1.6
137.13300	1.9
143.08568	2.5
145.04951	3.1
145.10103	13.2
147.11690	16.3
149.09505	1.3
149.13275	9.6
151.14807	1.3
157.10156	9.7
159.11668	14.5
161.09715	1.4
161.13268	18.7
163.14807	7.2
169.10159	2.3
171.11697	12.6
173.13255	15.1
174.51596	1.3
174.73531	1.1
175.14851	11.4
177.16386	10.7
183.11731	5.1
185.13170	11.0
187.14848	14.8
189.16380	7.9
195.11667	2.6
197.13269	7.9
199.14812	7.0
201.16391	7.5
205.15880	1.8
211.14871	6.2
213.16365	8.4
215.18082	5.1
217.15868	6.1
225.16362	6.8
227.17880	9.3
229.19481	5.0
231.17357	2.4
237.16383	2.1
239.17856	11.3
241.19458	10.5
243.17519	2.4
243.21008	2.0
245.18916	1.5
251.17899	2.3
253.19574	5.2
255.17453	2.0
255.21021	5.3
257.19037	5.4
259.20618	1.8
261.18427	1.9
265.19424	2.4
267.20999	2.1
269.18909	1.6
269.22635	2.9
271.20532	2.0
279.21094	3.1
281.22629	10.0
283.20651	1.9
283.23969	3.4
293.22452	3.1
295.24033	5.5
299.23654	2.9
311.23517	5.3
313.25192	2.8
321.25546	2.1
339.26672	5.0
347.27322	2.1
365.28421	7.3
381.31848	1.5
383.29306	2.0
403.33615	30.2
421.34601	89.0
439.29807	2.3
439.35693	52.7
565.38214	2.0
582.86829	1.5
583.40015	22.3
601.40979	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	799.532
Annotation	1-Stearoyl-2-Oleoyl-sn-Glycero-3-[Phospho-rac-(1-glycerol)]
Peak:m/z	Relative Intensity
56.43441	0.7
57.03443	1.8
61.02937	7.6
67.05525	4.6
69.03437	2.2
69.07068	0.9
73.02904	7.3
78.23780	1.0
81.03406	0.9
81.07047	7.4
83.08619	0.9
85.02907	7.3
91.03966	7.0
93.07047	4.1
95.08620	6.0
97.02933	6.6
99.04430	1.1
101.02396	1.8
107.08607	1.5
109.10162	4.5
121.10117	1.4
123.11761	1.2
127.03946	2.1
155.98729	0.9
185.04181	1.3
224.08235	1.0
225.79898	1.1
243.08441	3.5
380.97119	1.0
519.29248	4.5
521.30835	2.0
799.53271	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84146	1.9
57.03439	13.1
58.23027	1.9
59.07365	2.3
59.20458	1.7
61.02934	4.5
67.05510	15.4
67.81194	2.1
69.03436	4.1
69.07056	11.8
73.02924	41.2
79.05500	5.3
81.07062	28.7
83.04968	2.7
83.08612	2.8
89.85593	2.1
93.07034	10.7
95.08607	31.3
97.02911	2.9
99.08097	3.0
105.07005	9.0
107.08589	22.8
109.06493	3.8
109.10157	57.6
115.03909	5.5
117.06908	2.3
119.08587	18.4
121.10127	20.3
123.11696	12.8
128.08946	2.6
129.06970	2.8
131.08585	14.4
133.10159	20.5
135.11688	14.6
137.09561	2.9
141.06946	2.5
143.08585	4.2
145.10114	12.8
147.11682	15.8
149.13272	8.9
155.08548	3.5
157.10120	13.3
159.11679	15.9
161.09618	2.9
161.13264	12.5
169.10114	7.9
171.11674	15.1
173.09569	4.0
173.13275	14.2
175.14844	18.0
183.11650	10.8
185.13242	13.6
187.11206	3.6
187.14807	10.7
189.16394	2.9
195.11674	8.7
197.13252	11.0
199.14862	9.9
201.16313	3.5
209.13187	8.6
211.14857	9.7
213.16418	9.3
221.13316	3.8
223.14880	9.7
225.16374	4.5
227.14185	3.7
227.17883	3.6
229.15823	3.2
235.14772	3.2
239.17870	4.7
240.39333	2.3
241.19362	3.2
249.16429	3.9
251.17963	2.8
255.17477	2.7
263.17764	2.3
265.19519	5.2
267.17172	2.5
267.21051	2.7
269.19003	3.8
276.14685	2.4
277.19531	3.4
279.21146	9.0
281.19043	3.3
283.20508	4.1
291.21146	3.5
293.22824	2.5
305.22656	8.6
307.20480	2.9
309.22174	3.1
313.69232	2.8
317.22345	3.6
319.24362	3.1
323.23669	16.7
330.84741	2.3
331.24057	2.7
333.31604	2.4
349.25208	9.7
361.25070	2.8
371.25775	5.0
379.26236	4.5
387.30307	3.7
389.31934	3.4
405.31274	9.6
407.32849	11.7
417.31598	21.1
423.32312	5.4
425.33878	4.1
435.32565	55.5
453.33575	100.0
455.27930	4.5
471.34647	26.1
481.28845	2.6
503.30151	17.8
567.36652	12.8
585.28442	3.2
585.37842	90.9
603.38953	20.2
731.26263	2.5
747.02643	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	801.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30794	1.0
62.17405	1.1
81.03432	2.2
84.49644	1.1
85.02927	1.6
92.21333	3.8
97.02885	5.0
97.24829	1.1
109.02874	1.4
117.03378	6.3
143.76308	1.3
144.07364	1.2
145.02850	43.8
149.05962	2.0
165.95691	1.2
177.05475	100.0
177.48584	1.3
184.68214	1.3
301.07043	31.6
321.09628	2.7
339.10681	6.5
552.85132	1.5
568.25739	1.6
576.85986	1.3
614.12671	1.5
740.52136	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	801.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02367	0.3
69.03427	1.4
81.03436	2.2
85.02900	1.7
85.14893	0.2
89.03918	1.8
97.02879	0.9
99.04431	0.3
109.02869	0.5
117.03371	9.8
121.02949	0.2
132.43285	0.2
134.03558	0.2
135.04451	0.5
145.02846	54.8
149.05989	3.9
163.03902	0.4
167.03479	0.2
177.05460	100.0
186.05551	0.3
292.97171	0.3
301.07047	87.4
321.09698	1.8
339.10696	2.7
343.07980	0.3
639.17157	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	801.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15661	0.4
68.77484	0.4
74.22186	0.4
83.01093	0.4
84.66637	0.4
105.07024	0.5
109.10143	0.5
135.31659	0.4
241.49918	0.6
243.04796	2.8
245.06331	0.9
287.03564	0.6
289.05362	2.5
475.32007	1.6
535.33990	2.9
553.35120	3.5
637.37177	5.4
679.38153	8.8
697.39282	7.1
715.40253	6.9
723.36395	0.6
739.40417	5.7
757.41235	17.1
783.39160	2.1
801.40289	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	802.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	5.2
57.07078	2.0
58.66691	1.4
61.02924	1.3
62.48438	1.5
62.67948	1.2
64.74831	1.2
67.05510	1.5
69.03423	7.1
69.07085	3.1
71.05000	22.5
71.47763	1.3
73.02921	10.2
73.06536	2.1
79.06496	1.8
81.07050	5.6
83.04971	2.2
83.08624	3.4
85.02896	11.7
85.06551	9.5
91.05465	1.5
93.07021	1.8
95.08599	7.6
96.99445	1.6
97.02882	12.3
97.10182	12.2
97.88438	1.2
99.08167	1.5
103.68500	1.3
103.69968	1.3
105.07076	2.6
107.08605	32.0
109.10176	12.2
115.03918	5.9
119.08563	3.4
121.10130	3.5
123.11703	17.4
125.09635	45.3
127.11203	7.2
131.08566	3.6
133.10147	6.6
133.94943	1.5
135.11731	2.2
138.66933	1.4
141.12749	10.8
143.10677	100.0
145.04962	1.5
145.10153	5.7
147.11699	9.2
149.13292	2.0
157.10103	2.5
159.11668	8.5
161.13278	5.9
171.11687	2.7
173.13298	7.5
175.14777	1.3
183.11674	2.1
185.13300	10.2
187.14841	5.8
199.14865	5.5
201.16479	2.2
203.14330	1.7
215.17940	10.3
225.16336	1.4
227.17998	2.0
251.17851	2.0
253.19612	1.9
297.22150	5.8
310.23306	1.5
311.23572	2.3
419.33029	8.9
437.34164	35.6
455.35229	25.3
473.36176	8.7
481.85257	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	803.377
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	1.3
57.03449	1.3
60.05661	1.5
61.02934	5.3
68.58802	1.0
69.03447	2.3
70.06590	1.6
72.04532	7.0
73.02934	5.0
74.06081	4.3
76.05131	17.3
80.05026	1.5
81.03424	6.1
83.08627	1.7
85.02913	7.4
86.07214	2.2
91.03966	7.5
95.04961	1.9
96.05614	39.5
97.02903	8.6
97.06413	4.6
98.07219	1.5
109.10210	2.0
111.08016	1.1
114.06662	11.8
116.08196	1.5
118.05013	8.4
120.06608	5.9
127.03949	2.2
130.46460	1.1
135.07674	2.6
146.16698	1.1
160.07159	10.9
168.43105	1.1
175.11185	1.7
177.09869	16.7
192.13805	2.4
193.12250	18.8
211.13211	1.3
232.14427	7.6
238.64864	1.0
250.15479	1.3
259.07437	1.3
267.16074	4.4
342.20120	1.8
344.21771	1.8
360.21280	12.9
461.26089	7.7
522.26422	1.6
617.07056	1.2
623.31360	2.3
785.36243	12.4
803.37659	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	803.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
76.32646	0.7
78.93466	0.7
107.08572	0.8
109.10250	0.9
137.57944	0.7
138.82506	0.8
164.85384	0.7
166.59857	0.8
207.97003	0.8
212.51154	0.7
222.33124	0.9
243.04860	4.5
245.06398	0.8
287.03860	3.4
289.05307	4.2
296.85764	0.8
411.19928	1.1
453.21149	3.2
459.32205	2.8
473.45984	0.8
510.20041	0.7
603.36670	1.1
612.97485	0.8
621.37433	4.3
639.38538	1.2
645.37714	1.4
663.38776	14.5
681.39941	11.1
699.40948	1.7
707.37787	1.5
717.41785	1.1
723.41693	1.2
741.42566	1.6
759.42865	4.1
785.40814	8.3
803.41840	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	14.1
67.05505	3.8
69.03433	11.7
69.07045	5.4
70.06589	3.9
71.04993	28.7
73.02927	20.9
73.06541	3.8
79.05489	3.8
81.07059	11.8
83.08608	6.2
85.02899	22.8
85.06528	10.4
93.07064	4.5
95.08620	20.5
97.02888	27.9
97.10146	13.3
102.50221	3.1
105.07020	4.9
107.08585	38.8
109.10149	37.4
113.84190	2.6
115.03910	11.5
117.93831	2.6
119.08556	7.3
119.44309	3.0
121.10143	13.8
123.11695	24.0
125.09630	40.2
127.03924	6.3
127.11185	14.2
131.08534	4.9
133.10132	6.2
135.11702	6.1
143.08636	4.2
143.10670	100.0
145.10147	12.3
147.11694	15.3
149.13242	6.9
157.10109	12.8
159.11720	6.3
161.13228	5.5
169.10008	4.6
171.11716	5.1
173.13220	7.3
175.14839	3.9
183.11685	6.0
185.13304	26.2
185.69133	3.0
187.14809	6.0
197.13281	5.0
199.14841	4.4
201.16281	4.1
203.14368	3.2
211.14673	4.2
213.16435	3.7
215.17995	3.7
217.15703	4.2
237.16557	4.5
253.19341	3.6
279.20953	4.3
297.21829	3.7
419.33112	29.5
437.34109	71.7
455.35190	47.1
473.36145	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	806.4353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	13.1
57.26439	2.9
63.94638	2.9
64.66644	3.0
67.05509	46.5
69.07065	17.0
79.05502	26.6
81.07063	100.0
83.04971	4.3
83.08615	14.0
85.02896	3.3
91.05478	22.7
93.07044	33.8
95.04965	3.8
95.08616	46.1
97.06527	4.9
99.93474	3.5
105.07036	35.7
107.08600	30.1
109.10137	14.1
119.08594	24.7
121.10158	36.2
123.08020	4.5
123.11701	41.5
133.10162	15.0
135.11639	13.5
147.11693	86.5
147.94197	3.5
149.13243	4.1
159.11714	3.9
161.13235	4.3
165.12729	32.0
169.33647	3.7
173.13219	4.5
193.12253	4.1
261.22025	21.2
267.15900	63.0
285.17010	59.4
335.25809	71.4
344.83667	3.3
422.85748	3.5
493.16949	5.6
511.18155	12.3
527.37457	4.7
545.38428	62.3
561.27246	14.6
563.39325	15.1
566.16046	4.1
807.58893	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	806.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06607	9.1
68.92613	0.3
70.06599	1.3
71.31165	0.3
72.08159	16.4
72.85303	0.3
75.04455	0.4
75.61544	0.2
77.45186	0.3
84.08148	0.7
88.07632	3.7
88.64676	0.3
89.08448	0.3
89.80472	0.3
90.09193	31.6
95.04978	0.5
102.09186	4.4
105.07072	0.5
107.04955	7.1
108.89590	0.3
119.08619	0.4
123.39062	0.3
131.97881	0.4
132.10263	0.7
133.06544	1.6
135.08054	62.5
145.06512	1.3
145.10164	0.8
147.08075	1.7
149.09595	0.5
159.08044	0.4
161.09615	5.4
173.09622	15.0
191.10666	17.4
209.11717	12.7
358.20242	0.5
446.25516	0.6
767.27264	0.4
806.44733	100.0
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
58.06607	13.3
63.87879	0.4
63.97326	0.4
70.06603	1.8
72.08157	44.6
84.08159	2.1
85.06602	0.5
95.04964	0.8
96.19398	0.5
101.42848	0.5
101.83068	0.5
102.09177	4.7
107.04960	7.1
110.12593	0.5
130.79596	0.5
135.08054	77.2
146.11681	0.5
147.08072	0.6
161.09593	7.5
173.09621	5.6
191.10664	5.6
191.28339	0.4
209.11719	17.8
285.80109	0.5
404.24228	5.2
446.25620	2.2
448.27148	2.8
488.30191	1.1
558.91315	0.6
674.07520	0.6
694.68365	0.5
806.44745	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5408
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	12.5
67.05174	5.3
67.05512	89.0
69.07063	15.3
69.22902	2.6
79.05504	48.1
81.07066	98.6
83.08627	14.0
85.02902	4.2
91.05495	31.7
93.07043	75.8
95.04961	3.6
95.08613	76.9
97.06480	4.4
101.23330	3.1
105.07027	23.7
107.08610	40.9
109.10150	38.9
117.07051	3.9
119.08605	24.5
121.10149	35.8
123.11731	12.9
131.08578	12.6
133.10141	20.1
135.11687	24.7
141.01884	3.4
145.10138	15.8
147.11685	16.3
149.13277	16.1
157.57208	2.8
159.11702	13.7
161.13260	6.2
163.14880	3.3
173.13309	7.2
175.14880	3.7
229.76927	3.0
243.20914	4.6
251.94449	3.9
259.20599	7.3
261.22226	26.3
333.09061	3.4
333.24225	5.5
335.25787	100.0
337.27341	7.7
353.26575	3.8
486.99985	3.2
511.28998	6.9
521.43408	3.5
595.47290	28.0
613.48138	60.3
674.17560	3.6
744.51068	3.6
806.51038	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	807.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06824	0.4
57.07083	8.8
57.89444	0.2
69.03417	1.5
76.85970	0.2
79.57542	0.3
81.03411	1.7
82.48214	0.3
85.02911	3.1
87.00816	0.6
97.02894	43.1
99.04453	0.5
99.11731	0.5
105.01849	0.4
106.40574	0.3
109.02886	3.1
112.26307	0.3
127.03929	2.0
127.08218	0.3
139.80949	0.3
145.04970	0.4
159.02856	1.3
241.14397	0.5
259.15283	1.6
301.07056	100.0
343.08151	1.2
489.19150	0.4
549.12415	10.3
559.21387	0.5
587.78394	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	808.5563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	17.7
57.07085	1.9
61.02923	2.2
61.54955	1.3
67.05510	68.0
69.07072	20.0
70.48791	1.3
79.05499	53.5
81.03457	1.8
81.07063	81.5
83.04990	3.2
83.08611	9.8
85.02912	3.7
85.06548	2.5
91.05480	37.9
92.20940	2.5
93.07047	68.2
95.04958	3.6
95.08613	63.4
97.02906	3.3
97.06537	7.9
97.10160	6.2
99.08060	3.1
105.07041	37.8
107.07919	2.6
107.08598	46.6
107.09261	2.8
109.06503	3.2
109.10165	28.9
111.08007	1.7
117.07029	13.2
119.08567	37.6
121.10139	39.7
123.08047	2.0
123.11723	5.8
123.97377	1.4
129.06999	2.8
131.08575	27.8
133.10121	29.7
135.11700	24.4
142.86731	1.6
143.08586	6.8
145.10110	20.7
147.11668	22.6
148.38104	1.4
149.09642	1.9
149.13257	11.6
151.11089	1.8
157.10089	6.8
159.11688	16.8
161.13260	13.1
163.14825	2.9
169.10020	1.7
171.11662	5.2
173.13246	9.4
175.14816	3.5
177.12708	1.6
177.16373	2.0
185.13280	3.7
187.14859	11.1
188.27895	1.5
199.14830	3.6
201.16315	1.8
241.19525	6.6
257.18826	1.7
258.23868	1.6
259.20514	17.6
259.78796	1.4
261.22125	3.3
267.91208	1.7
277.21585	15.1
294.68533	1.5
331.22778	2.0
333.24133	17.4
335.25793	100.0
351.25287	46.5
529.38928	3.5
548.66180	1.7
571.43140	2.9
573.01733	1.6
593.45319	3.7
611.46674	91.9
629.47577	8.1
773.51605	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	809.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42645	0.3
56.54570	0.3
56.89197	0.2
58.28402	0.2
59.05009	0.3
65.48373	0.2
67.05518	0.3
69.03407	0.5
69.07086	0.5
70.06599	0.3
71.04980	0.5
81.03424	2.2
81.07076	1.0
85.02906	1.2
85.06546	0.4
89.03919	1.0
93.07051	1.2
95.08603	2.4
97.06549	0.6
97.10160	0.4
99.04444	0.4
105.07021	0.7
107.08611	2.4
109.02887	1.1
109.06478	0.3
109.10152	2.0
117.03394	3.0
119.08588	10.8
121.10146	9.8
123.11687	0.5
125.09647	1.4
127.03960	0.4
127.11189	1.7
131.08565	0.5
133.10141	1.6
135.11711	0.7
141.26688	0.3
143.10664	0.7
145.02853	31.7
145.10139	3.4
147.11671	1.6
149.05957	1.6
149.13272	0.5
157.10109	1.7
159.11703	2.7
161.09639	0.4
161.13216	0.7
169.10063	0.5
171.11691	2.7
173.13191	2.6
175.14847	0.4
177.05467	100.0
179.99582	0.3
183.11644	1.1
185.13261	2.2
185.14713	0.3
187.14871	1.4
189.16451	0.5
190.95726	0.3
195.06519	1.7
197.13304	1.1
199.11172	0.5
199.14752	1.1
201.16357	0.4
209.13205	0.3
211.14836	1.0
213.16420	0.5
215.14400	1.4
217.15767	0.4
223.14737	0.6
225.16318	0.6
227.18150	0.5
231.17351	0.4
237.16512	0.4
239.74557	0.3
253.19466	0.4
301.06967	0.4
321.09671	2.5
339.10739	9.6
397.27472	0.5
409.30695	1.1
417.31522	0.5
425.30450	0.4
435.32639	2.9
453.33655	22.3
471.34705	10.8
717.12799	0.3
791.43134	1.6
809.43622	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	809.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	2.5
67.05529	8.2
69.03436	36.2
69.07069	9.5
69.34656	2.3
71.04996	39.5
73.06565	3.0
74.96989	2.0
79.05487	2.7
81.07060	14.9
83.08640	4.1
85.02943	3.5
85.06546	14.3
93.07035	10.2
93.24693	2.2
95.08614	22.5
97.02879	53.5
97.10201	17.6
105.07040	9.9
107.08604	35.2
108.56232	2.4
109.10159	39.3
115.03935	34.0
119.08573	9.4
121.10200	16.0
123.11710	28.1
125.09629	52.3
127.11180	19.9
130.31564	2.5
131.08553	4.0
133.10143	12.7
135.11697	4.7
141.12753	33.6
143.08598	3.2
143.10669	100.0
145.10147	16.0
147.11703	14.3
149.13298	8.3
157.10117	11.9
157.11427	2.3
159.11702	15.4
161.13234	11.3
171.11722	9.8
173.13274	12.2
175.06068	11.6
175.11186	4.3
175.14754	4.1
176.96950	2.5
183.11713	11.3
185.13257	13.5
187.14854	14.5
195.11647	2.6
197.13150	4.8
199.14833	4.7
201.16400	13.1
209.13243	3.4
211.14760	3.8
213.16451	4.0
215.17740	2.5
215.63530	2.8
225.16434	3.1
227.17950	4.1
237.16335	8.7
251.17947	4.6
253.19395	4.2
279.21014	4.4
293.22635	4.1
297.22244	10.4
315.23367	3.6
342.02335	2.3
419.33145	27.0
437.34140	68.5
455.35144	52.0
473.36224	4.9
591.28827	2.7
611.39722	3.8
629.40411	16.6
716.99487	2.8
729.04059	2.8
773.44324	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	810.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.5
59.05024	0.3
60.06699	0.3
61.02938	2.1
67.05509	6.5
69.03432	7.5
69.07082	2.3
69.31919	0.3
70.06586	0.5
71.04993	0.8
73.02923	0.8
76.43392	0.3
76.43846	0.3
76.51284	0.3
78.24232	0.3
79.05520	0.8
81.03429	2.4
81.07059	4.4
83.08627	0.6
85.02911	19.3
87.04453	2.4
90.88328	0.3
91.03970	2.0
91.05502	1.4
93.07072	2.0
94.06600	0.3
95.04958	0.4
95.08606	6.0
97.02886	8.4
97.03467	0.4
97.06567	0.4
99.04470	1.8
101.92040	0.3
105.07059	1.6
107.08599	4.0
108.08178	0.4
109.02880	3.2
109.06557	0.7
109.10161	32.2
110.06018	0.3
111.11115	0.3
119.08610	2.1
120.08118	0.5
120.27968	0.4
121.06538	0.5
121.10146	3.2
123.04467	2.0
123.08092	0.5
123.11733	2.1
127.03909	6.2
127.04733	0.5
131.08578	1.8
133.10155	2.2
135.08061	0.8
135.11717	1.7
137.09608	0.4
137.13187	0.3
143.08635	0.7
144.27548	0.3
145.04968	2.7
145.10110	2.5
147.08087	1.8
147.11751	2.2
149.09641	0.7
149.13307	1.5
150.12823	0.7
151.11185	0.5
155.08582	0.5
157.10184	1.8
159.08112	1.5
159.11743	2.0
161.09647	0.8
161.13307	1.6
163.07518	5.4
169.10147	1.4
171.08119	1.5
171.11743	1.9
173.09685	2.2
173.13304	2.5
175.11287	0.5
175.14870	1.3
177.09105	0.6
183.11755	1.4
185.09631	4.4
185.13329	1.3
187.11224	1.5
187.14815	0.7
188.09067	0.4
188.10638	0.4
189.09195	0.4
189.12764	0.5
191.14340	0.4
195.11757	0.8
197.09703	0.5
197.13344	1.6
199.11218	2.2
199.14857	0.7
201.12805	0.5
203.14320	0.7
207.11728	0.4
209.13388	0.6
211.11156	3.2
211.14812	0.5
213.12784	2.0
213.16422	0.7
219.11847	0.5
221.13348	0.4
223.11246	0.4
223.14888	1.3
225.12708	2.4
225.16435	1.5
227.14339	0.5
228.17595	1.9
229.15924	1.3
235.14908	0.5
237.12881	1.3
239.14377	0.4
239.18002	0.5
241.15938	0.7
245.15327	3.1
246.18661	0.5
249.16589	0.5
251.14436	1.6
251.18053	0.4
253.19574	0.5
255.17595	0.8
265.15921	0.7
267.17569	0.5
275.18033	0.4
279.17627	0.5
279.21130	0.5
281.18979	0.5
282.18585	0.5
283.17023	0.5
293.19077	1.5
293.22696	0.5
295.20551	0.4
297.22314	0.4
300.19791	0.7
305.22623	0.4
307.20584	0.5
308.20200	0.4
311.20370	0.4
321.22079	5.2
333.22296	0.4
339.23318	3.6
347.23883	0.4
350.25067	0.5
351.23312	1.8
365.24963	0.7
368.26083	1.9
369.24319	0.6
386.27109	1.5
403.30066	1.3
421.31165	2.0
422.34491	0.4
432.32892	1.4
433.31226	0.4
450.33679	8.4
451.32269	1.3
468.34680	4.0
478.50052	0.3
612.39636	1.6
630.39844	5.1
648.41089	0.5
792.44562	2.0
810.46332	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	810.5569
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	7.7
64.79577	3.1
69.23809	3.3
71.08640	33.4
75.39634	3.6
85.10180	7.5
87.04465	16.6
89.06033	73.3
90.60126	3.5
93.07087	4.4
119.08551	4.2
121.06577	11.7
133.08621	23.3
135.08058	7.3
135.11646	4.8
137.88081	4.1
147.08061	5.2
149.09576	4.5
163.11128	5.5
177.11153	4.4
200.38586	5.2
207.81906	4.0
211.28886	4.0
236.57225	4.5
247.20662	5.1
268.45392	4.2
291.23337	8.9
793.53619	32.0
810.55701	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21065	0.2
61.31121	0.2
62.69685	0.2
69.03427	1.6
71.42611	0.2
73.02924	0.3
77.88448	0.2
81.03416	2.1
85.02909	2.4
87.00824	1.2
91.99944	0.2
95.05009	0.2
97.02891	14.9
99.04459	0.9
103.04800	0.4
103.05470	7.8
105.01887	0.9
109.02869	2.7
121.02866	0.3
127.03891	2.6
128.06192	0.8
129.06995	1.2
131.04926	33.8
140.19278	0.2
141.07021	0.3
143.04916	0.7
143.08571	3.0
145.05006	0.4
153.06989	1.2
155.08595	0.2
159.02919	1.0
169.06464	1.6
171.08028	1.2
181.06468	1.0
194.15887	0.2
197.04482	0.2
199.07518	0.9
227.06992	2.6
231.04715	0.3
245.08028	2.1
263.09076	1.0
301.07053	100.0
343.08035	1.4
493.13345	0.3
549.12408	7.9
585.67120	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	811.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83741	0.2
69.03423	1.6
70.06599	0.3
81.03408	2.7
83.04960	0.3
85.02911	2.5
87.00804	1.1
87.10246	0.2
92.21221	0.6
95.04967	0.3
97.02891	16.0
99.04516	0.7
103.05470	8.0
105.01859	0.5
109.02866	1.9
112.66524	0.3
114.91957	0.3
127.03925	2.1
128.06201	1.1
129.06995	1.0
131.04929	34.6
133.08302	0.2
138.81238	0.3
143.04912	1.3
143.08553	3.2
153.06985	1.2
155.08508	0.3
159.02899	1.4
169.06477	1.5
171.08051	1.0
181.06474	1.0
199.07559	0.4
227.07048	2.1
245.08037	2.3
263.09171	1.2
285.59781	0.3
301.07050	100.0
313.07224	0.3
343.08142	1.0
345.08121	0.3
511.13593	0.3
549.12360	8.6
604.24377	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	811.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.6
59.93526	0.5
61.02929	3.7
69.03435	1.0
69.07055	0.8
73.02917	1.0
77.57484	0.5
79.05482	0.5
81.07074	4.3
83.08627	0.7
85.02905	7.9
91.03951	5.4
91.05494	0.9
93.07039	2.8
95.01308	2.7
95.04949	0.8
95.08617	8.3
97.02901	4.1
99.68819	0.5
103.03963	0.7
105.07035	2.9
107.08608	7.0
107.41441	0.6
109.06483	0.6
109.10161	7.4
111.08066	0.8
119.08580	5.5
121.10164	5.2
123.08046	0.9
123.11697	3.5
124.34263	0.6
127.03960	1.2
133.10120	8.1
135.08076	1.3
135.11702	7.3
137.09633	1.2
139.11192	0.6
141.01831	20.6
143.08534	0.6
145.05023	2.4
145.10101	4.4
147.11710	6.1
149.09521	0.6
149.13237	6.4
151.11205	0.9
159.02863	1.2
159.11697	3.4
161.13281	5.0
163.06024	0.8
163.11194	1.1
163.14804	3.3
166.22430	0.7
167.14296	1.2
171.11690	1.0
173.13319	4.3
175.11188	2.4
175.14819	10.3
177.12843	0.9
177.16422	3.1
183.11736	0.7
185.13184	1.2
187.14809	5.9
189.12737	0.7
189.16359	12.9
191.14410	0.8
193.15904	0.7
197.13188	0.6
199.14836	0.9
201.16403	3.3
203.14330	1.4
203.17990	4.5
203.19539	0.6
205.15952	4.1
207.17329	0.8
211.14682	0.8
213.16319	4.1
215.14343	2.6
217.15855	2.7
225.16464	1.0
227.17836	1.1
229.15894	1.0
231.17435	7.6
233.15320	2.7
235.16954	0.9
245.19113	1.1
247.16977	0.8
249.18480	4.5
253.47409	0.5
255.21146	0.7
257.19159	1.2
261.18509	1.1
267.21069	1.0
269.19254	0.7
271.20596	1.0
283.20517	1.2
285.22025	2.1
297.22211	0.8
301.21701	0.9
303.23209	1.2
325.25366	1.3
343.26114	0.7
379.29926	1.0
401.32193	0.6
407.33099	0.9
419.33090	4.5
425.34183	6.6
437.28171	1.1
437.34113	28.6
455.35202	100.0
473.36246	38.7
613.37305	6.7
622.44781	0.7
631.38354	11.9
649.39691	5.6
811.44598	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	812.4428
Annotation	Unknow
Peak:m/z	Relative Intensity
59.13801	3.8
67.04903	4.1
67.05493	26.2
69.03439	47.1
69.07103	8.0
71.04984	5.7
72.36969	4.5
73.02943	7.6
76.45807	4.9
77.00442	5.1
81.03416	29.5
81.07059	11.7
85.02907	88.0
87.00835	21.4
91.05528	4.7
93.07034	20.0
93.16402	5.1
95.08607	73.5
97.02910	22.3
99.04455	9.5
105.01881	21.2
105.07041	10.4
107.08598	29.4
109.02861	37.2
109.10154	20.8
111.08101	5.3
117.07102	5.7
119.08595	33.7
121.10126	34.9
123.08073	17.8
123.11689	5.2
125.09660	11.0
127.03905	59.5
131.08563	21.8
133.10118	33.2
135.08116	6.2
135.11702	18.4
141.09123	20.4
143.08542	5.3
145.04906	8.9
145.10150	39.1
147.11699	23.3
149.09647	5.7
157.10143	25.1
159.02843	23.0
159.11707	29.7
161.13216	5.9
165.17516	4.8
169.10098	9.5
171.11679	26.8
173.13269	24.8
183.11707	20.2
185.13293	27.2
187.14778	20.7
195.11678	6.9
197.13268	21.4
199.14836	11.5
209.13303	7.0
211.14972	10.0
223.14763	6.5
225.16370	10.5
227.18080	11.6
237.16367	32.9
239.17982	6.1
251.17970	7.6
253.19470	18.0
265.19543	6.7
321.25916	6.6
333.25610	6.6
386.76544	6.3
397.28647	9.3
415.29776	70.8
433.30975	100.0
435.78281	5.3
451.31967	21.4
475.32239	10.9
493.33035	35.7
508.63318	6.0
511.34192	61.8
536.95880	5.5
663.35120	11.4
681.36328	94.9
699.36414	10.1
741.38501	97.6
759.39581	35.5
791.15234	6.0
841.98035	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	812.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	19.1
67.05510	14.5
69.03420	4.6
69.07079	7.2
73.02912	5.1
76.41245	3.3
81.07061	27.5
83.08614	6.8
85.02916	45.0
91.03961	34.5
93.07036	4.8
94.24132	3.4
95.04881	4.8
95.08598	19.8
97.02895	19.4
99.08082	4.7
105.07058	9.2
107.08615	30.3
109.10156	45.0
119.08568	22.9
121.10149	18.5
123.07984	4.5
127.03921	21.5
133.10150	21.8
135.11697	8.9
143.08594	5.4
143.83502	3.9
145.04958	24.9
145.10146	22.4
147.11662	14.2
155.08525	3.5
157.10135	14.6
157.43153	3.6
159.11687	19.7
161.13272	7.4
163.06059	28.3
171.11693	19.6
173.13263	16.8
175.11226	8.4
175.14789	14.0
177.05443	6.6
177.16524	3.8
183.11655	4.4
185.13284	16.9
187.14781	5.9
197.13200	3.8
211.14932	4.7
213.16443	4.7
225.16403	8.3
234.16878	4.1
269.19156	4.1
325.11212	18.8
377.28021	4.6
417.31393	49.3
435.32599	100.0
453.33755	53.0
532.35297	4.2
597.37482	6.5
615.38788	17.8
787.74835	3.8
812.46814	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	813.187
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	0.4
65.03929	0.5
67.05544	0.2
69.03430	2.1
73.02914	0.3
81.03414	2.5
81.07013	0.3
85.02913	4.7
87.00829	1.3
89.46693	0.3
91.05485	3.6
92.21148	0.6
97.02897	12.3
99.04425	1.1
105.01886	0.4
109.02876	3.1
111.04440	0.3
119.04948	10.5
127.03922	3.5
129.01843	0.3
131.08557	0.7
133.70937	0.3
145.04988	0.7
145.06454	0.4
147.04410	68.0
157.06610	0.4
159.02861	1.7
159.04256	0.8
159.08055	1.9
167.03352	1.1
169.06435	0.6
177.05464	1.3
185.05974	1.4
187.07549	1.2
197.05952	1.5
215.06976	1.2
243.06499	2.9
261.07599	2.2
279.08615	1.4
287.05493	100.0
328.88849	0.4
329.06604	1.9
535.10797	10.1
565.13300	1.2
643.30273	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	813.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
63.29394	0.3
65.03935	2.3
67.05494	1.9
69.03429	2.8
69.65032	0.3
70.06561	0.4
73.02907	0.4
76.83166	0.3
81.03435	2.9
81.07061	0.5
84.08128	0.5
85.02902	4.9
87.00817	2.5
91.05479	1.8
93.03372	2.9
97.02891	41.3
99.04438	0.5
107.08599	0.7
109.02894	3.6
109.10152	2.1
119.04944	6.8
121.02852	2.6
125.02339	0.6
127.03940	3.3
129.07005	0.4
131.08545	2.5
139.03920	0.6
141.06992	0.7
143.08536	0.4
144.05629	0.5
145.04910	1.7
147.04405	59.5
149.02342	3.4
153.89511	0.4
157.06462	0.7
158.07246	0.6
159.02910	1.6
159.08043	15.2
159.09294	0.8
167.03389	8.9
169.06474	6.4
171.08066	1.8
171.11632	0.6
177.05508	0.6
185.05957	1.7
187.07518	8.7
197.04344	0.6
197.05978	7.5
215.07040	5.3
225.05432	0.9
243.06525	1.7
261.04926	0.8
261.07562	16.1
265.19714	0.5
279.08624	3.6
287.05478	100.0
301.07104	1.0
329.06546	2.6
370.00958	0.5
435.32538	0.9
453.33307	0.8
535.10876	8.7
565.13171	2.0
590.27100	0.5
615.39099	4.2
633.39783	1.6
687.19049	0.4
791.34991	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	813.4602
Annotation	Bayogenin 3-O-cellobioside
Peak:m/z	Relative Intensity
56.78388	1.9
58.45683	1.9
67.05505	9.6
69.03407	2.2
69.07076	8.9
70.53560	1.9
73.02956	2.6
79.60766	2.0
81.07050	18.5
83.05017	2.2
83.08608	1.9
85.02920	15.2
91.05498	2.3
93.07020	11.5
95.05018	2.7
95.08627	29.9
97.02888	3.7
99.08141	2.6
105.07047	9.5
107.08601	18.2
109.10164	46.3
119.08588	24.4
121.10139	15.1
123.11705	4.7
126.18584	2.4
131.08575	8.9
133.06450	2.6
133.10135	17.1
135.08142	3.0
135.11705	5.3
137.09656	2.2
143.08586	2.6
145.10104	20.3
147.11673	28.0
149.13271	12.0
151.03882	2.8
153.05466	3.9
157.10152	3.9
159.08070	3.0
159.11656	13.1
161.09604	2.7
161.13283	12.8
163.14906	3.2
165.12657	2.5
171.11670	5.3
173.09621	8.6
173.13258	13.5
175.11177	26.5
175.14854	21.1
177.12794	2.5
177.16428	2.6
185.13206	10.2
185.63171	2.2
187.11145	2.4
187.14737	32.8
189.12779	4.9
189.16354	2.7
195.11624	2.5
197.13306	3.3
199.11116	3.8
199.14824	3.5
201.16396	3.1
203.14470	2.7
203.17989	3.0
207.11649	2.2
209.13229	3.9
211.14827	4.6
213.12727	3.7
213.16307	2.7
215.14337	19.3
225.16388	4.8
229.08353	2.1
229.15773	4.2
233.15373	26.7
241.16017	4.8
265.19299	2.6
267.17422	3.5
279.21255	3.9
285.62122	2.1
307.09512	2.8
309.21851	2.3
317.06567	13.8
327.23056	3.7
339.12314	14.2
355.26584	3.0
357.35120	2.6
359.27365	8.3
377.28345	10.5
395.29495	13.3
399.30371	4.7
401.54782	2.4
417.31567	23.0
435.32620	62.5
436.32648	8.8
453.33627	100.0
454.33829	23.8
535.86554	2.6
557.34766	8.8
565.11676	5.0
597.37891	26.8
598.37518	4.3
615.38770	40.9
616.38916	11.9
676.53693	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	813.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	2.8
67.05506	17.6
69.03423	10.0
69.07068	18.4
71.04987	4.1
79.05486	3.8
80.64848	2.2
81.03419	2.8
81.07063	30.7
83.08588	2.5
84.08179	2.5
85.02905	44.4
86.09753	2.3
87.04472	2.1
90.34186	2.0
90.92443	1.9
91.05465	5.1
93.07047	17.2
95.04970	2.2
95.08610	30.4
97.02892	13.9
97.06558	3.6
99.08089	2.9
105.05505	2.1
105.07030	11.2
107.08600	28.0
109.10163	62.5
111.11674	2.0
117.07043	2.5
119.08587	20.7
121.10140	19.8
123.11716	10.2
127.03896	10.6
127.11160	3.2
131.08551	9.4
133.10107	19.1
135.11719	15.1
137.09628	3.2
143.08598	4.7
145.05035	3.5
145.10123	22.6
147.11646	15.3
149.13281	8.7
155.08569	4.0
157.10118	13.2
159.07997	3.4
159.11685	21.4
161.13208	15.5
169.10109	8.8
171.08046	2.2
171.11655	16.2
173.09659	3.2
173.13260	11.1
175.11278	2.4
175.14801	21.1
181.10196	2.4
183.11650	11.1
185.13226	14.4
187.11221	2.9
187.14841	12.6
189.16428	3.1
195.11676	9.5
197.13252	10.5
199.14783	4.9
201.16364	9.0
207.11705	3.2
209.13303	11.3
209.79980	1.9
211.14819	8.0
213.12883	3.0
213.16435	3.1
223.14819	5.1
225.16368	10.4
227.17896	9.3
229.15802	2.5
235.14650	3.7
237.16423	5.1
239.17935	4.6
241.15776	2.5
241.19556	3.3
243.17267	4.1
249.16389	3.5
251.18091	3.6
253.19508	3.8
263.17932	8.1
265.19495	11.0
269.19000	3.0
279.17505	2.7
279.20831	2.9
293.22427	3.9
295.20535	3.1
297.22153	4.3
305.22577	9.2
309.76141	2.4
311.23532	2.9
317.22769	4.6
323.23642	9.3
331.24194	3.9
349.25214	10.2
353.24820	4.2
371.25748	2.6
379.26208	3.4
387.30331	3.1
389.32043	5.2
397.27261	2.8
399.30530	3.2
405.31387	4.5
407.32971	3.5
417.31555	29.4
423.32449	8.9
425.34470	3.4
435.32550	74.0
443.90118	2.3
453.33646	100.0
471.34750	15.8
533.30957	16.1
550.80420	2.3
559.31909	2.6
597.38336	18.8
615.38843	49.3
633.39526	4.4
686.46021	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	814.457
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	34.2
69.03433	24.9
69.07059	7.4
69.82819	4.9
79.05498	10.5
81.03427	11.5
81.07072	11.5
84.39054	4.5
85.02907	48.3
87.00810	10.6
89.93178	4.6
91.05482	7.9
92.21406	7.2
93.07013	23.5
95.08592	44.3
97.02888	27.7
97.75344	5.8
99.04477	13.4
105.01829	9.2
105.07034	28.6
107.08591	100.0
109.02876	30.3
109.10172	73.4
117.07043	8.5
119.08604	31.7
120.08104	7.6
121.10165	28.3
123.11700	11.6
127.03909	50.3
131.08624	9.9
133.10130	29.0
135.11690	22.0
143.08554	9.7
145.04933	9.2
145.10164	42.3
147.11700	24.2
149.09621	7.2
149.13318	8.5
157.10109	21.5
159.02899	7.2
159.11702	36.3
161.13266	23.9
169.10173	9.9
170.93671	5.4
171.11674	13.6
173.13240	31.7
175.14862	10.6
183.11728	11.1
185.13228	26.6
187.14862	31.8
197.13286	10.1
199.14845	7.7
209.13321	9.7
211.14810	9.7
213.16412	8.2
223.14671	6.9
227.18019	8.4
235.14560	7.8
237.16435	24.3
239.17955	8.5
251.17937	12.1
253.19469	12.0
265.19376	7.7
293.22549	12.6
301.07141	6.6
359.27240	13.4
399.30307	12.8
417.31534	85.4
419.33194	73.5
435.32724	46.7
437.34042	21.3
477.33401	34.1
495.34464	46.8
513.34888	8.7
599.39398	33.6
625.67554	6.6
665.36603	28.0
683.37329	31.3
725.37897	27.5
743.40259	51.4
757.07385	7.5
761.40588	10.1
814.42767	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	814.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
60.47573	2.6
62.89722	2.7
67.05514	49.2
69.03440	31.7
69.07090	4.2
71.04990	3.3
73.02921	5.4
79.05488	16.8
81.03432	30.4
81.07050	31.6
82.27635	3.0
85.02911	78.2
87.00378	3.3
87.00826	26.8
91.05479	19.7
93.07055	29.4
95.08615	68.5
97.02885	33.6
99.04480	18.9
105.01873	19.9
105.07053	26.9
107.08598	98.8
109.02889	40.1
109.10161	61.7
115.04000	3.1
119.08566	40.2
121.10138	54.5
123.08067	5.7
123.11733	5.5
125.09637	16.5
127.03926	74.7
129.01880	6.3
129.07033	4.0
131.08588	17.7
133.10135	34.8
135.08064	5.0
135.11694	17.4
135.99652	3.3
143.08565	14.6
145.04980	13.4
145.10156	58.7
147.11671	27.6
149.09586	4.0
149.13283	13.0
155.08537	4.4
157.10141	25.7
159.02911	24.7
159.11658	33.5
161.13255	39.5
163.14812	5.0
169.10123	17.7
171.11714	26.5
173.13216	26.7
175.14767	5.5
177.05460	5.0
183.11708	15.6
185.13292	21.9
187.14851	24.8
189.16437	4.9
195.11726	5.7
197.13326	16.2
199.14813	7.4
201.16408	5.5
203.18062	3.5
209.13271	15.0
211.14818	20.5
213.16409	13.6
215.14299	6.3
221.13312	3.3
223.14758	16.2
225.16396	14.8
227.17917	13.3
229.15849	4.4
231.05078	4.8
235.14903	5.8
237.16406	43.1
239.17917	20.2
241.19484	6.0
249.16481	5.0
251.17940	13.6
253.19574	27.3
255.17513	4.3
257.18939	3.8
265.19574	13.7
269.18939	4.3
277.19690	5.3
279.21103	7.1
291.21066	6.6
293.22641	12.8
295.20740	5.1
302.68387	3.1
303.21106	3.9
309.22250	5.3
353.24759	4.5
359.27371	7.0
377.28159	4.3
399.30612	12.8
401.31952	3.8
407.32794	3.5
417.31540	97.4
419.28937	4.7
435.32544	73.5
453.33661	5.3
455.35217	4.2
459.32239	13.4
477.33679	57.8
495.34610	90.0
513.35858	6.8
539.13513	3.5
581.47089	3.5
665.36700	47.2
683.37848	30.6
707.37244	4.6
725.38910	48.5
743.39941	100.0
761.41199	44.7
814.44330	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	814.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	16.3
69.03437	35.4
69.07076	13.7
79.05502	8.9
81.03436	39.2
81.07074	48.5
85.02905	71.8
87.00801	13.4
91.05480	8.2
93.07046	29.5
95.08620	77.4
97.02882	32.0
99.04482	13.7
105.01881	10.5
105.03397	11.5
105.07055	29.2
107.08635	25.6
109.02879	28.9
109.10154	46.2
117.06978	6.7
119.08580	65.1
121.10159	37.0
123.11749	15.8
125.09647	9.4
127.03888	53.5
131.08586	32.0
133.10141	36.0
135.11731	11.3
143.08569	13.1
145.10126	65.0
147.11685	29.3
149.13239	10.4
157.10143	39.2
159.02888	16.2
159.11685	34.1
161.13249	29.3
169.10144	13.2
171.11687	46.4
173.13271	40.0
175.14719	12.5
183.11705	24.0
185.13306	26.9
186.38152	7.1
187.14807	28.2
195.11717	11.3
197.13258	30.9
199.14842	12.9
201.16425	11.2
207.11700	7.5
209.13177	10.7
211.14883	15.3
213.16316	11.6
223.14830	9.9
225.12636	7.8
225.16469	16.0
237.16476	11.5
239.17999	9.4
241.13768	6.5
249.16367	9.2
251.17953	16.8
253.19421	35.3
255.17441	10.1
263.17709	8.4
265.19467	8.4
266.39264	8.1
301.07132	36.9
303.72986	6.6
305.22589	7.8
320.24759	7.4
333.26648	6.8
343.24203	8.7
399.30469	47.3
417.31589	72.7
435.32687	57.5
453.33356	10.0
459.32599	10.5
477.33542	51.4
495.34668	51.8
513.35577	11.9
665.36652	53.5
683.37927	85.3
725.38751	33.0
743.40045	100.0
761.40527	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	814.4932
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01236	3.2
67.05506	19.4
69.03418	7.1
69.07072	15.3
81.07060	25.1
83.08642	8.3
85.02905	54.4
91.05499	3.9
93.07049	9.2
95.08604	49.7
97.02895	16.3
105.07027	20.6
106.90157	3.7
107.08573	37.3
109.02914	3.9
109.10163	100.0
119.08568	20.3
121.10132	38.1
123.11699	18.1
127.03920	8.5
131.08588	9.3
133.10138	21.2
135.11720	19.2
137.13251	5.1
145.04909	5.6
145.10136	20.6
147.11714	27.8
149.13240	8.5
157.10103	5.7
159.11665	31.8
161.13232	18.7
163.14813	7.1
171.11658	15.6
173.13220	25.6
175.14838	8.3
183.11687	8.2
185.13223	9.0
187.14832	23.3
189.16345	5.9
197.13303	5.5
199.14786	13.3
201.16405	17.8
211.45808	3.5
213.16357	15.3
213.23366	3.9
215.17989	17.6
220.04207	3.8
225.16313	6.8
227.17871	7.9
229.19460	5.7
237.16434	4.2
239.17900	8.4
241.19273	4.2
243.21165	4.5
253.19460	7.6
267.21115	22.3
269.22659	6.7
281.22672	6.1
335.27359	7.5
391.33521	36.6
401.31845	6.1
409.34772	30.8
409.39172	4.2
419.32974	31.1
437.34088	90.4
455.35184	64.6
550.41376	4.9
599.39539	60.8
617.40485	30.8
658.82629	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	814.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05514	14.2
69.07057	8.1
81.07063	20.8
84.90458	3.1
85.02921	17.7
93.07051	16.8
95.08607	33.6
96.99787	2.9
97.02937	3.5
105.07050	16.2
107.08600	28.7
109.10167	63.8
119.08599	30.1
121.10119	27.1
123.11739	13.8
127.03960	5.5
131.08540	7.6
133.10130	16.7
135.11699	14.4
145.10146	25.4
147.11674	23.6
149.09674	3.1
149.13278	12.1
155.08566	4.0
157.10117	15.2
159.11678	18.0
161.13280	16.3
165.12692	3.2
169.10121	6.4
169.94435	3.3
171.11682	20.0
173.13306	24.7
175.14793	11.9
183.11694	14.1
185.13266	5.2
187.14874	14.6
197.13264	6.1
199.14864	12.7
201.16418	16.6
209.13216	4.2
211.14803	14.7
213.16371	4.7
215.17943	6.6
223.14790	3.8
225.16376	7.1
227.17990	6.9
237.16417	5.4
241.19554	4.5
243.20958	4.9
253.19539	4.4
267.21109	13.4
281.22772	11.9
292.21609	3.9
293.22580	4.7
363.26703	5.8
401.32089	19.5
403.33698	13.4
419.33054	100.0
421.34549	7.1
437.34009	18.8
446.20554	4.0
549.42651	3.5
581.38428	45.6
599.39441	46.1
761.44086	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	814.494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.30701	2.7
61.02921	3.4
67.05516	25.7
69.03434	25.9
69.07072	20.0
69.15787	3.2
70.02046	3.2
71.04995	4.5
74.00586	3.6
75.49655	3.2
76.18037	3.5
79.05500	8.8
81.03424	20.1
81.07050	37.5
83.04964	6.2
83.08650	5.4
85.02908	54.9
85.06518	3.6
87.00832	17.4
87.04475	3.5
93.07021	27.2
95.04932	3.8
95.08604	72.9
97.02897	21.7
97.06503	8.3
97.10168	7.0
99.04456	7.3
105.01867	6.1
105.07031	26.1
107.08602	52.0
109.02879	22.2
109.06522	4.8
109.10157	100.0
119.08577	53.8
121.06605	3.9
121.10163	45.5
123.08032	6.1
123.11714	23.3
125.09657	4.6
127.03917	37.6
131.08569	18.5
133.10139	31.0
135.08069	6.1
135.11708	25.2
143.08560	14.8
144.65456	3.7
145.04994	15.6
145.10147	45.4
147.11691	41.8
149.13246	23.6
151.11140	4.3
155.08577	4.1
156.34106	3.5
157.10132	22.5
159.02895	7.2
159.11670	42.1
161.09497	4.8
161.13266	33.5
163.11150	4.5
165.12715	4.0
169.10155	8.7
171.11685	36.3
173.09605	5.0
173.13255	37.8
175.11198	3.6
175.14825	20.8
177.12766	4.1
177.16379	5.2
181.10052	5.8
183.11699	21.7
185.13327	28.5
187.11235	4.4
187.14816	27.9
189.12738	4.1
189.16399	6.3
195.11711	8.2
197.13271	19.9
199.14844	15.1
201.12773	5.0
201.16393	14.6
203.17999	4.2
209.13275	16.5
211.14781	8.1
213.16380	7.7
215.14365	3.9
223.14781	17.5
225.16382	21.2
227.17960	14.7
229.15848	5.5
235.14771	7.1
237.16333	17.9
239.17929	20.3
241.19545	8.5
243.17412	4.0
247.14903	5.3
251.17947	14.2
253.19530	15.9
255.16940	5.3
263.17905	6.6
265.19473	16.9
267.21155	6.9
279.21158	7.3
283.20587	5.9
291.20959	15.3
293.22684	5.6
297.22104	4.9
305.22604	4.2
309.22156	8.2
311.24170	3.6
337.25293	4.0
356.06836	3.9
359.27377	5.9
363.26831	4.9
377.28656	8.2
379.26440	4.5
389.32114	13.1
399.30325	7.6
401.32114	18.3
407.33041	6.3
409.35220	3.6
417.31589	40.8
419.33032	35.0
435.32596	56.3
437.34186	90.0
453.33472	23.8
455.35208	58.1
477.33646	39.4
495.34760	67.4
513.35791	32.2
531.36884	8.1
599.21320	4.7
599.39203	56.8
617.40466	72.3
683.37885	7.0
701.38629	17.2
743.39868	15.9
750.73474	4.0
761.40955	16.6
779.45123	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	814.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05227	0.5
67.05504	4.8
69.03418	0.9
69.07076	3.8
70.06554	0.5
76.48140	0.5
79.05496	1.1
81.07063	8.0
85.02908	5.3
91.05509	1.0
93.07063	3.2
95.08601	9.4
97.02898	1.2
105.07034	4.7
107.08578	6.7
108.29142	0.5
109.06557	0.7
109.10152	16.6
119.08569	7.1
121.10141	5.8
123.08071	0.6
123.11738	1.4
125.09699	0.8
131.08598	3.0
133.10130	5.6
135.08064	1.0
135.11708	2.9
143.08546	0.8
145.05009	0.7
145.10120	6.1
147.08055	0.8
147.11642	5.3
149.13297	3.3
157.10178	3.7
159.11708	5.6
161.09712	0.7
161.13293	4.8
163.14812	0.7
169.10150	1.3
171.11664	4.8
173.13254	4.6
175.14841	3.9
183.11722	0.9
185.13295	3.4
187.14809	4.4
189.16426	1.3
197.13316	0.8
199.14914	2.4
201.16406	3.0
203.18188	0.6
209.13333	0.9
211.14943	0.6
213.16443	2.3
215.18036	0.8
217.15891	2.6
223.14958	0.8
225.16418	1.2
227.17998	1.4
231.17467	1.1
237.16440	2.6
239.18011	1.2
241.19458	1.0
251.17976	1.4
253.19536	2.6
255.17468	0.9
265.19595	1.1
269.18976	0.7
279.21082	0.8
283.20694	0.7
291.21341	0.8
293.22687	1.0
317.22754	0.9
401.32071	6.4
419.33136	18.3
437.34131	24.1
455.35156	13.8
476.32840	8.0
581.38367	3.8
599.39551	9.8
617.40497	7.8
692.22101	0.6
761.44415	2.4
779.46045	2.5
814.41711	6.2
814.57635	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.3
57.31426	0.8
59.11980	0.9
65.03953	2.1
69.03423	6.8
71.28808	1.0
79.05505	1.3
81.03423	7.0
82.82876	0.9
85.02903	12.3
87.00837	5.6
91.05499	4.6
93.03381	1.3
95.04949	1.3
97.02880	2.4
99.04469	2.2
101.44034	1.1
103.05460	1.1
105.07048	4.4
107.04974	8.0
109.02893	7.4
110.03635	1.9
111.04436	6.6
112.80509	1.0
117.07014	1.4
119.04931	4.7
123.04404	1.6
125.06043	7.5
127.03944	7.7
129.07014	2.6
131.04962	5.3
133.02876	4.1
133.06490	5.9
137.05991	13.1
147.04408	9.4
147.08058	2.6
151.07591	1.8
153.05473	20.5
159.02898	2.3
159.08067	5.2
160.02197	1.0
161.05936	9.5
163.07576	1.2
167.07030	86.5
169.06477	1.7
175.07555	33.5
177.05455	1.9
179.06953	7.7
185.05975	1.1
186.06703	1.7
187.07559	14.8
189.05402	4.0
191.07072	10.7
193.08549	7.7
199.07500	11.2
201.09036	1.3
203.08597	1.7
216.07770	1.2
219.08089	2.5
220.08806	4.0
221.09753	2.0
229.08560	2.1
231.08054	1.8
232.08763	1.4
233.09650	2.2
233.69722	1.1
234.06891	1.6
235.07588	1.8
247.07504	5.8
248.08400	5.1
249.09048	4.1
250.09850	1.2
251.10651	12.1
259.07574	2.3
260.08316	1.9
261.09097	8.5
262.09848	1.4
263.06754	1.1
263.10699	8.2
264.07944	4.7
265.08557	4.2
274.06171	1.6
276.07822	15.1
277.08392	7.5
278.09384	5.2
279.10150	7.0
281.12054	1.2
288.07813	1.6
289.08572	9.2
290.09354	7.2
291.10175	10.1
293.08029	5.7
293.11359	2.4
301.08627	1.7
303.09778	1.2
304.07251	7.0
305.08054	5.4
306.08975	2.0
307.09576	15.6
308.10486	13.7
309.11130	1.5
311.12781	16.3
317.06674	1.4
319.09680	26.0
320.10413	8.0
321.07620	2.0
321.11111	7.5
323.12717	13.3
324.09851	1.3
336.09882	2.5
337.10800	1.9
338.11328	1.6
339.12256	39.2
341.13785	5.4
351.12262	100.0
353.13724	9.4
355.15692	1.8
369.13327	18.1
381.13315	1.6
526.49176	1.5
553.69177	1.4
587.17285	2.0
815.57245	4.7
843.34821	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	815.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81960	1.7
61.58259	1.5
65.03938	8.8
69.03398	2.2
75.25462	1.8
77.45154	1.8
85.02926	3.4
93.03419	2.3
95.04997	2.1
105.07059	2.1
107.04957	2.9
110.03667	10.5
111.04450	16.7
119.04951	2.6
125.05989	11.5
127.03895	2.9
133.02832	2.3
133.64479	1.9
137.05965	8.7
141.65433	2.0
153.05460	68.4
159.08025	3.5
161.05972	2.9
163.07568	2.3
167.07047	25.4
175.07536	9.9
179.07011	1.8
186.06792	2.8
187.07568	10.7
189.05457	3.0
191.07002	3.9
191.71559	1.7
199.07533	2.8
215.06897	2.0
216.07794	7.6
219.08009	6.9
229.08644	9.6
231.07930	2.2
233.09814	2.6
234.06726	2.1
236.08411	4.2
247.07512	2.6
248.08228	2.7
248.81029	2.1
249.09067	2.6
251.10619	20.5
259.87653	2.2
261.09207	3.7
264.07730	13.3
265.08481	2.9
268.14096	2.0
276.07773	12.3
277.17987	1.9
278.09409	7.8
279.10196	9.2
281.11728	3.0
289.08453	3.6
291.10172	4.6
292.07388	2.0
293.08099	7.0
293.11990	2.0
304.07483	3.0
306.78964	2.0
307.09656	30.5
308.10370	11.7
311.12411	2.6
319.09610	7.4
321.11136	2.5
323.12653	7.0
324.09598	2.4
339.12283	100.0
341.13953	4.4
351.12326	21.7
369.13272	16.0
815.58478	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	815.4759
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	6.2
69.07065	6.7
71.04996	10.8
73.54146	1.3
81.07061	11.5
83.04967	1.6
83.08650	2.7
85.02916	17.2
92.21523	2.5
93.07037	7.0
93.07571	1.4
95.08615	23.8
97.02901	3.2
97.10186	2.2
99.08086	2.3
105.07049	8.7
107.08599	22.2
109.06540	2.8
109.10166	42.8
111.08086	2.5
119.08593	14.7
121.06530	2.0
121.10123	17.0
121.10858	1.3
123.08035	1.7
123.11717	16.6
125.09657	1.9
127.03894	2.6
127.11194	33.6
131.08572	2.7
133.10153	8.6
135.08054	2.6
135.11703	12.1
137.13269	3.2
141.12775	6.1
143.08580	2.4
145.04936	2.7
145.10106	10.3
147.11670	12.0
149.09613	1.9
149.13242	9.2
151.11169	2.1
157.10149	6.3
159.11693	10.3
161.09625	1.7
161.13257	9.9
163.14801	2.8
169.10121	2.1
171.11687	8.4
173.13295	10.4
175.11128	2.2
175.14859	6.5
183.11758	9.4
185.13295	7.5
187.11267	2.5
187.14806	6.6
189.12746	2.3
189.16444	5.8
195.11549	1.6
197.13231	7.7
199.14859	2.7
201.12759	9.4
201.16347	2.0
203.14409	3.1
205.19595	1.7
209.13266	1.6
211.14784	3.2
213.16399	2.7
215.14339	7.6
215.17979	3.3
217.19522	1.8
223.14752	1.7
225.16394	1.8
225.20053	1.7
227.17992	3.4
239.17799	1.7
243.17473	2.0
251.17957	2.5
253.19527	2.1
255.17360	1.6
261.18494	5.2
269.19012	1.9
283.20633	1.5
285.21927	1.5
297.22131	1.9
311.23712	2.2
335.10684	1.7
401.32043	2.2
416.10428	1.9
419.33179	15.1
437.34171	65.4
438.34573	2.8
455.35223	100.0
455.41638	3.3
473.36154	19.9
598.20166	2.0
599.39374	2.5
600.39514	3.4
617.40253	9.8
618.41583	3.8
737.66425	1.7
815.57471	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	816.5096
Annotation	Unknow
Peak:m/z	Relative Intensity
64.94050	1.3
65.08775	1.3
67.05514	18.8
67.13992	1.3
68.07408	1.4
69.03410	6.0
69.07059	14.8
70.06602	1.6
72.68661	1.5
79.05475	3.7
81.07065	29.3
83.08640	6.2
85.02919	15.3
91.05498	7.1
92.21489	1.6
93.07027	11.4
95.04960	1.6
95.08009	1.9
95.08609	40.0
97.02886	6.0
97.10156	2.0
99.29829	1.3
105.07021	15.1
107.08601	26.1
108.46210	1.8
109.06511	1.9
109.10158	100.0
109.10909	3.5
111.08151	2.2
117.06994	1.7
119.08589	21.6
120.08100	2.0
121.10125	23.4
123.11703	20.1
125.09611	2.7
127.03918	3.0
131.08560	7.7
133.10139	16.3
135.11708	16.1
137.13289	2.7
143.08551	8.4
145.04967	5.9
145.10126	18.3
147.11676	21.3
149.13266	11.8
151.11224	6.2
155.08412	2.5
157.10135	9.8
159.11702	18.9
161.09502	1.9
161.13211	21.4
163.06033	1.9
163.14799	7.6
165.12750	2.3
169.10150	3.3
171.11633	13.6
173.13280	17.9
175.14821	12.3
177.12790	1.7
177.16411	1.7
183.11691	9.4
184.80180	1.5
185.13234	21.5
187.14825	11.7
189.12772	2.0
189.16391	6.9
195.11636	2.5
197.13264	9.4
199.14877	10.3
201.16371	11.7
203.14319	1.6
203.17986	3.2
211.14822	7.0
213.16417	6.2
215.17928	5.8
217.15936	2.1
217.19559	3.5
223.14813	6.2
225.16397	7.4
226.44547	2.0
227.17982	7.7
229.19521	2.5
237.16490	2.2
239.17970	8.2
241.19376	3.3
243.17480	2.4
243.21329	1.5
249.16370	1.7
251.17944	2.7
253.19441	3.4
255.17450	2.6
255.21159	2.4
267.20862	4.5
271.20474	2.8
279.21075	2.3
281.22513	1.9
293.22604	6.0
294.23508	2.0
295.24149	5.7
295.77771	1.5
299.23627	2.5
307.24124	2.2
311.23590	2.3
313.25079	3.3
321.25671	2.1
325.11191	5.6
339.26962	1.8
347.27298	1.9
403.33600	37.1
421.34656	81.1
439.35739	44.3
457.36862	14.4
565.38940	7.2
583.39978	16.1
601.41522	11.5
692.73907	1.6
766.00433	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	816.5091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.9
61.02927	25.6
67.05508	14.4
69.03453	9.4
69.07066	14.0
73.02923	7.5
75.32637	1.4
79.05495	3.6
81.03426	3.8
81.07051	27.9
81.39915	1.6
83.08637	4.0
85.02908	74.8
90.61285	1.6
91.03947	45.5
91.05475	3.1
92.20911	2.1
93.07036	17.4
95.04971	1.9
95.08592	38.0
95.09107	2.1
97.02875	33.4
97.10190	3.0
97.46854	1.7
105.07054	16.5
107.08579	32.2
109.02905	8.5
109.10150	77.4
109.52312	1.8
111.08102	2.2
117.07016	2.7
119.08566	26.3
121.10115	26.3
121.44488	1.6
123.11657	17.1
125.09686	4.2
127.03911	29.4
129.07053	2.2
131.08592	4.2
133.10118	24.5
135.08026	2.7
135.11684	17.1
137.13263	4.1
143.08600	6.8
145.04962	30.7
145.10077	18.6
145.90544	2.0
147.11676	28.9
149.13208	14.0
151.14868	1.7
157.10181	10.5
159.11691	26.0
161.13228	27.7
163.06003	33.9
163.11235	2.7
163.14816	10.1
171.11723	11.4
173.13289	21.8
175.14815	16.4
177.16411	3.3
183.11636	3.3
185.13289	12.4
187.14790	19.9
189.16396	6.9
191.14360	2.9
197.13315	7.4
199.14822	13.3
201.16402	22.5
203.17912	4.3
211.14787	4.4
213.16400	7.3
215.17984	8.1
217.15953	3.5
217.19452	4.1
223.14793	2.5
225.16418	3.9
227.17986	3.3
229.19557	3.7
237.16469	3.0
239.18034	2.3
241.19498	7.5
243.21092	4.0
245.18967	2.8
249.45503	2.1
251.17805	3.1
253.19577	3.1
255.21149	4.2
257.19189	2.1
267.21094	11.4
271.20575	2.3
281.22577	3.4
293.22830	3.1
295.23987	3.9
301.06973	3.9
311.23807	2.6
313.25259	3.8
325.11182	14.3
363.30630	2.9
365.28494	3.0
381.31561	3.0
393.35110	1.9
403.33606	19.9
421.34622	100.0
439.35678	78.4
565.38519	4.4
583.39911	22.8
601.40704	18.2
629.82666	2.0
763.46478	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	816.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
63.85963	1.6
66.26456	1.6
67.05507	15.2
69.03417	7.3
69.07065	13.4
79.05505	3.9
81.07066	22.9
83.08639	3.2
85.02911	25.8
91.05493	2.4
93.07059	13.2
94.73569	1.7
95.08607	37.5
97.02892	8.0
105.07012	13.9
107.08590	29.2
109.02895	1.9
109.10153	69.4
117.07001	2.2
119.08555	16.6
121.10123	27.5
123.11724	16.8
124.03900	1.7
125.09609	3.4
127.03928	7.0
131.08566	10.4
133.10135	23.2
135.11691	16.9
137.13283	2.5
143.08548	6.5
145.04941	3.0
145.10085	20.6
147.11674	21.5
148.12067	1.5
149.13252	13.5
151.11137	1.9
157.10100	8.5
159.11700	21.9
161.13266	23.7
163.14813	9.5
164.84758	1.8
169.10118	6.6
171.11661	13.6
173.13243	18.8
175.14821	17.0
177.16399	3.7
183.11720	3.0
185.13278	9.4
187.14803	13.8
189.16347	6.8
197.13158	3.6
199.14812	10.5
201.16362	18.2
203.17926	9.4
211.14856	7.9
213.16385	9.8
215.17966	10.1
223.14882	2.6
225.16449	6.3
227.17940	7.7
229.19478	3.1
237.16396	2.0
239.17827	6.1
241.19504	3.7
243.17487	1.7
243.21030	7.5
245.18990	1.8
251.18051	3.0
253.19553	3.0
255.21066	2.8
267.21091	9.7
269.22623	2.5
273.21921	2.1
279.21033	3.1
281.22604	3.5
293.22549	6.9
295.24124	3.4
301.06906	10.6
307.24084	1.9
313.25192	3.3
315.23166	1.9
321.26035	2.0
347.27386	2.4
365.28250	3.0
377.31473	2.0
381.31619	2.3
403.33578	33.0
421.34628	100.0
439.35709	59.2
568.14526	2.1
583.40045	21.7
601.40906	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	816.64
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	23.5
58.18404	9.6
71.08625	21.2
89.06048	100.0
105.43288	12.4
115.58737	11.2
125.81343	13.5
132.61560	11.8
165.98470	14.8
188.53091	14.9
207.31430	11.6
275.56689	14.5
341.33698	14.6
565.36261	12.8
799.61377	25.2
816.63068	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	817.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07078	3.7
67.05502	13.6
69.03426	3.9
69.07062	12.9
70.06612	1.9
71.04998	23.5
79.05472	2.2
81.07063	29.3
83.08626	12.1
85.02914	32.3
93.07040	8.2
95.08619	38.1
97.02886	4.8
97.06522	2.4
99.08083	2.4
105.07037	12.8
107.08593	29.8
109.02904	2.8
109.10158	86.7
117.07026	4.3
119.08569	21.0
121.10146	31.4
123.11693	28.7
125.09633	2.8
127.03933	3.6
127.11194	57.2
129.06964	4.4
131.08582	13.5
133.10112	22.3
135.11664	18.2
137.13243	10.2
141.12732	3.5
143.08546	10.0
143.10715	3.5
145.04948	3.1
145.10104	19.0
147.11664	24.3
149.13223	21.0
151.11191	3.5
151.14816	2.9
155.08524	2.6
157.10120	15.3
159.11678	30.0
161.13222	21.8
163.14815	4.4
167.34641	1.9
169.10071	8.2
171.11710	23.9
173.13257	23.7
175.14798	11.5
177.16425	2.8
183.11699	4.4
185.13240	45.3
187.14789	22.5
188.18108	2.1
189.16440	10.1
197.13292	8.9
199.14815	21.6
201.16435	12.1
203.18019	3.3
211.14784	4.8
213.16367	11.7
215.17935	2.4
217.19479	4.0
225.16371	10.6
227.17905	13.9
238.85785	2.5
239.17935	11.9
245.19142	4.8
253.19588	18.2
267.21051	3.3
281.22766	3.8
294.23474	3.2
295.24152	3.0
299.23651	2.7
313.25171	2.8
317.61865	2.1
388.15924	2.2
403.33557	10.3
421.34644	91.1
439.35651	100.0
457.36761	35.9
475.37241	3.4
583.39252	2.7
601.41223	24.4
619.41742	4.9
848.59583	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	819.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
60.23465	0.9
75.11308	0.8
76.52219	0.9
109.02916	1.2
115.19942	1.0
129.46489	1.1
175.88705	1.2
420.23315	1.2
447.21735	2.3
456.23135	1.3
457.23898	5.5
458.21164	6.7
471.22137	3.8
473.19199	1.3
474.20087	1.2
475.21484	6.3
476.22357	1.7
483.22241	2.2
484.22794	5.1
485.23660	28.9
487.21216	7.3
488.22406	1.5
489.22772	1.8
498.20795	1.8
499.21268	5.5
501.22653	10.2
502.23911	2.1
503.24744	8.3
511.21066	4.5
512.82227	1.1
513.22949	9.0
517.22925	1.5
519.24670	1.1
529.22504	2.1
535.26947	8.9
543.23553	2.2
544.24841	5.8
545.25616	5.4
557.21948	1.2
561.25031	1.5
563.26703	5.1
571.22888	9.2
572.24622	11.8
621.27679	2.4
622.28174	4.7
760.69012	1.5
769.25586	3.9
801.28186	23.9
819.29016	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4651
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88194	0.4
123.01620	0.4
141.17395	0.4
144.93011	0.4
177.92163	0.4
203.05287	0.7
623.39331	0.9
643.41986	0.6
652.14941	0.5
803.46124	1.6
821.46539	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	4.5
67.05506	21.5
69.03439	22.1
69.07077	21.4
79.05518	5.7
79.43593	2.7
79.91962	2.4
81.03432	4.7
81.07063	24.2
83.08601	3.4
85.02908	70.8
86.55830	2.9
87.04496	4.5
91.05429	4.7
93.07032	14.3
95.08604	34.4
97.02898	16.9
99.04440	3.4
105.07043	15.1
107.08583	23.6
109.02870	7.4
109.10150	44.5
117.07031	6.6
119.08562	29.6
121.10143	16.5
123.11656	3.6
124.96671	3.2
127.03900	7.0
131.08585	3.4
133.10135	14.5
135.11635	5.7
143.08566	6.0
145.04944	3.2
145.10097	22.1
147.11702	12.4
149.13297	4.6
157.10139	13.2
159.11664	15.4
161.13197	10.2
169.10085	11.0
171.11684	20.5
173.13243	17.2
175.14789	3.9
183.11700	13.1
185.13251	7.0
187.14835	4.8
195.11746	7.1
197.13245	12.2
199.14789	5.4
201.16394	6.8
203.46747	3.0
209.13301	12.0
211.14874	3.8
213.16484	11.4
221.13091	3.9
223.14798	7.4
225.16383	17.0
227.17938	3.9
235.14830	5.2
237.16399	17.1
242.52528	3.0
249.16443	5.1
251.17924	11.5
253.19505	29.9
260.48557	3.0
263.17807	4.6
265.19601	5.2
267.21036	4.1
277.19525	6.5
279.21054	6.4
291.20834	6.9
292.21909	13.1
293.22592	5.5
317.22739	4.8
361.24722	3.6
373.53674	3.6
401.27231	4.5
401.31918	33.3
411.99005	3.5
419.33090	67.9
437.34116	15.0
461.33969	33.5
479.28906	4.7
479.35220	100.0
497.36349	47.2
581.38287	7.2
621.10266	3.6
641.40204	6.6
659.41223	6.9
733.66687	3.9
743.43195	12.6
761.45239	4.2
803.46326	23.2
821.45862	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	821.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02939	4.9
67.05515	17.7
69.03432	20.8
69.07069	17.3
71.04977	2.5
73.02927	2.3
79.05488	2.8
81.03434	5.2
81.07062	22.0
83.08609	4.1
85.02904	67.0
87.04443	2.3
91.03978	2.9
91.05489	3.7
91.79784	2.0
93.07031	15.9
95.08594	41.6
95.71175	2.1
97.02888	26.1
97.10159	3.0
99.04441	3.7
105.07041	13.3
107.08586	26.2
109.02889	8.7
109.10146	51.3
117.07011	3.6
119.08576	29.2
121.10136	20.9
123.11737	2.9
127.03877	16.5
129.07062	2.2
131.08537	9.8
133.10143	23.6
135.11705	7.8
143.08557	9.0
145.04984	12.7
145.10147	22.8
145.79634	2.3
147.11700	14.6
149.13297	7.8
155.08540	3.9
157.10153	15.2
159.11682	24.5
161.13254	11.7
169.10179	15.4
171.11687	23.9
173.13269	18.5
175.14809	4.8
181.10155	3.3
183.11649	18.3
185.13196	16.5
187.14841	4.7
195.11734	15.2
197.13202	15.6
199.14763	8.0
201.16405	2.8
207.11549	2.5
209.13211	14.7
211.14761	11.1
213.16422	8.8
221.13278	8.7
223.14803	11.9
225.16344	20.1
227.17964	13.2
235.14923	5.3
237.16385	14.4
239.17894	13.5
240.18733	4.8
241.19504	4.0
247.14949	3.0
249.16306	5.1
251.17949	14.5
252.18872	3.4
253.19492	23.0
263.17996	3.4
265.19513	14.3
267.21017	3.3
275.17957	9.4
277.19482	14.2
279.20947	9.4
290.20248	3.4
291.21014	10.0
292.21768	11.9
293.22797	3.8
302.03735	2.3
303.20905	2.7
305.22443	3.3
319.24139	2.9
401.31949	42.5
407.09872	2.3
419.33047	71.3
437.34000	14.6
461.34085	35.0
463.35709	2.8
468.21814	2.3
479.35187	100.0
497.29276	4.3
497.36194	63.2
514.01587	2.2
581.38037	12.9
599.39160	5.0
641.40448	16.4
659.41846	17.7
743.43372	11.3
761.43854	8.6
803.45691	34.7
821.46790	21.2
844.27582	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	821.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.8
59.96178	2.0
61.02937	34.3
61.09863	2.1
61.73715	2.1
62.59738	2.0
65.05452	2.5
65.95564	2.4
66.24165	2.2
67.05511	18.6
69.03429	27.5
69.07063	14.3
73.02911	15.5
74.49112	2.5
79.05489	4.4
81.03435	5.2
81.07064	24.0
81.96651	2.0
85.02903	71.1
91.03948	32.7
91.05468	4.6
92.21320	13.4
93.07049	23.7
95.08606	48.8
97.02895	39.1
99.04462	2.8
105.07050	22.1
107.08615	23.9
109.10158	51.7
119.08582	31.9
121.10154	19.0
123.11688	5.6
125.09589	3.1
127.03881	16.2
131.08580	11.2
133.10146	22.3
135.11731	10.0
143.08531	13.4
145.04980	17.2
145.10127	21.5
147.11702	23.7
149.13228	4.0
155.08521	5.7
156.09511	2.6
157.10149	18.3
159.11667	24.1
161.13245	14.9
163.06023	12.9
169.10120	15.2
170.10780	2.9
170.18318	2.8
171.11662	22.9
172.12273	2.4
173.13242	9.0
175.14836	5.5
181.10062	9.8
183.11713	16.7
183.23654	2.4
185.13255	16.6
187.14838	10.3
189.16435	3.2
195.11641	11.7
197.13266	14.0
199.14897	6.1
201.16365	3.2
207.11745	4.3
209.13249	12.7
211.14917	17.2
213.16380	6.2
216.49478	2.6
221.13329	5.5
223.14772	12.7
225.16371	20.1
227.17915	13.5
235.14786	5.9
237.16327	24.0
239.17950	13.2
240.18761	2.8
241.19437	11.4
249.16405	6.1
251.17946	13.6
252.18668	3.1
253.19556	29.9
263.17889	4.6
265.19623	12.6
267.21045	5.5
275.17807	3.3
277.19461	18.6
279.21115	11.0
291.21051	15.4
292.21902	15.0
293.22549	10.3
305.22601	5.2
317.22720	4.1
318.22864	2.9
319.24100	4.6
331.24457	3.0
333.25653	3.1
345.26013	4.4
401.32062	45.6
403.32941	3.4
419.33112	73.4
437.34134	10.0
461.34140	36.3
463.35797	5.2
479.35272	100.0
497.36066	36.7
563.37030	4.0
581.38281	25.0
588.64917	2.7
599.39069	5.4
623.38605	3.1
641.40369	26.9
659.41364	24.0
743.43695	25.9
761.44910	5.2
803.45947	30.4
821.47119	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	822.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02946	1.3
61.60918	1.0
69.03415	7.4
70.06582	1.6
73.02914	2.3
81.03413	7.5
85.02901	21.3
86.09711	1.6
87.00820	9.3
91.05485	1.6
97.02880	8.3
99.04412	1.5
105.01864	2.3
107.04955	1.5
109.02883	9.8
115.93838	1.2
119.04968	1.8
127.03911	11.0
127.67258	1.2
131.04938	11.8
131.07552	1.3
131.08557	2.5
133.02843	7.3
133.06470	1.5
137.05975	65.3
145.04918	1.7
147.04407	5.3
149.05978	5.6
151.03882	3.1
151.07584	9.6
153.05453	2.4
157.06549	3.2
159.02994	2.8
159.04373	1.9
159.08054	5.7
161.05974	9.1
161.09660	1.6
163.07549	12.8
169.06444	1.6
171.08083	2.2
173.06038	1.3
175.07507	13.7
176.04750	2.3
177.05484	5.6
185.33226	1.5
187.07547	12.4
189.03992	2.0
189.09120	10.2
191.07031	27.3
197.05965	2.0
198.06850	1.4
199.07576	4.7
201.09071	7.8
202.23387	1.5
203.07016	8.5
205.08652	5.1
211.07690	1.5
213.09079	18.8
215.06940	3.0
215.10835	4.9
217.08620	5.7
219.10175	18.0
220.38486	1.5
225.09108	9.9
227.10655	3.0
229.08574	6.3
231.10150	2.4
233.08122	6.9
243.10144	24.8
257.08017	2.7
261.11322	1.4
273.08316	1.3
273.11194	33.9
277.08344	1.4
291.10025	3.1
307.09644	2.7
308.10367	2.1
321.11108	5.1
323.12720	2.1
325.14557	1.7
335.12732	3.1
337.14395	2.1
341.13800	2.5
349.14346	7.6
354.14554	2.9
361.14752	2.0
367.15344	36.0
379.10071	8.8
379.15311	14.3
381.16891	8.1
385.16251	2.4
397.16428	100.0
415.17572	5.8
423.12201	1.4
503.20328	2.0
521.21570	2.2
598.55518	1.7
615.20660	9.0
627.20709	1.7
645.21368	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	822.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02946	1.3
61.60918	1.0
69.03415	7.4
70.06582	1.6
73.02914	2.3
81.03413	7.5
85.02901	21.3
86.09711	1.6
87.00820	9.3
91.05485	1.6
97.02880	8.3
99.04412	1.5
105.01864	2.3
107.04955	1.5
109.02883	9.8
115.93838	1.2
119.04968	1.8
127.03911	11.0
127.67258	1.2
131.04938	11.8
131.07552	1.3
131.08557	2.5
133.02843	7.3
133.06470	1.5
137.05975	65.3
145.04918	1.7
147.04407	5.3
149.05978	5.6
151.03882	3.1
151.07584	9.6
153.05453	2.4
157.06549	3.2
159.02994	2.8
159.04373	1.9
159.08054	5.7
161.05974	9.1
161.09660	1.6
163.07549	12.8
169.06444	1.6
171.08083	2.2
173.06038	1.3
175.07507	13.7
176.04750	2.3
177.05484	5.6
185.33226	1.5
187.07547	12.4
189.03992	2.0
189.09120	10.2
191.07031	27.3
197.05965	2.0
198.06850	1.4
199.07576	4.7
201.09071	7.8
202.23387	1.5
203.07016	8.5
205.08652	5.1
211.07690	1.5
213.09079	18.8
215.06940	3.0
215.10835	4.9
217.08620	5.7
219.10175	18.0
220.38486	1.5
225.09108	9.9
227.10655	3.0
229.08574	6.3
231.10150	2.4
233.08122	6.9
243.10144	24.8
257.08017	2.7
261.11322	1.4
273.08316	1.3
273.11194	33.9
277.08344	1.4
291.10025	3.1
307.09644	2.7
308.10367	2.1
321.11108	5.1
323.12720	2.1
325.14557	1.7
335.12732	3.1
337.14395	2.1
341.13800	2.5
349.14346	7.6
354.14554	2.9
361.14752	2.0
367.15344	36.0
379.10071	8.8
379.15311	14.3
381.16891	8.1
385.16251	2.4
397.16428	100.0
415.17572	5.8
423.12201	1.4
503.20328	2.0
521.21570	2.2
598.55518	1.7
615.20660	9.0
627.20709	1.7
645.21368	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	823.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
60.00715	1.4
67.05502	2.7
80.26288	1.6
81.07047	10.4
85.02911	20.3
85.06644	1.7
91.03944	4.0
93.07030	8.8
95.01318	3.5
95.08602	20.2
97.02891	4.0
103.03927	2.8
105.07027	3.6
107.08596	9.9
109.10149	13.2
119.08581	14.9
120.22987	1.9
121.10162	9.7
123.11673	2.4
127.03899	3.7
131.03432	2.1
131.08562	3.3
133.10147	15.5
135.11717	13.0
141.01831	44.6
144.13068	1.8
145.04968	4.3
145.10170	8.5
147.11697	10.5
149.13280	6.9
157.10129	3.7
159.02931	2.1
159.11665	15.1
161.09644	8.9
161.13242	11.5
163.14751	2.6
169.10098	2.1
171.11664	10.3
173.09721	3.4
173.13277	17.2
175.11208	3.4
175.14725	7.4
177.12837	2.3
177.16362	10.1
183.11661	3.4
187.11186	9.2
187.14848	14.9
189.09099	12.0
189.12781	2.6
189.16331	8.3
197.13266	11.2
199.11134	2.3
199.14801	8.5
201.12709	7.5
201.16449	15.0
203.10632	12.9
205.15691	2.0
207.10162	8.4
207.17473	2.3
209.13278	2.8
213.16418	2.5
215.10675	21.3
215.14275	10.1
215.17995	2.1
221.11731	10.6
225.16380	2.7
229.12257	2.2
229.19569	2.6
231.13777	2.7
233.11729	27.1
243.13786	29.1
249.14680	3.3
251.18111	2.0
257.15317	2.2
261.14871	23.4
273.14780	2.8
295.16971	2.3
391.26096	2.4
403.29868	3.0
409.27283	11.5
431.29279	3.9
437.30603	19.4
449.30502	66.2
467.31573	100.0
485.32700	8.0
625.33569	16.7
655.55542	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	824.5507
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05513	46.8
69.07090	22.3
79.05492	40.0
81.07066	63.7
83.04984	3.7
83.08622	7.1
85.06577	3.8
91.05482	38.6
93.07040	48.2
95.04958	4.6
95.08603	60.7
97.06519	4.9
97.10184	12.2
105.07041	40.9
107.07991	3.8
107.08608	44.1
109.06534	4.0
109.10139	23.7
117.07002	20.2
119.08576	37.5
121.10133	26.1
123.11721	4.9
125.09621	6.0
129.06966	6.4
129.55247	3.0
131.08560	24.7
133.10127	29.5
135.08089	4.4
135.11732	11.5
143.08600	12.4
145.10138	31.4
147.11713	26.2
149.09645	5.2
149.13284	5.3
157.10094	7.0
159.11711	27.1
161.13304	4.7
163.11226	4.9
169.10143	3.9
173.13290	15.9
185.13261	15.2
189.11147	4.3
203.14268	5.0
227.12755	6.8
236.47192	3.1
242.88338	3.2
257.18930	14.0
259.20526	3.4
267.16232	3.1
275.19897	26.0
331.22623	4.9
333.65021	3.0
335.25839	56.4
349.23730	39.6
529.38922	4.5
609.45221	100.0
627.45801	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	824.5508
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05519	39.6
69.07075	11.4
71.57933	2.4
77.01070	1.8
79.05501	43.5
81.07069	49.3
83.08630	10.9
85.06567	3.8
91.05488	30.6
91.19782	2.1
93.07050	39.6
95.04972	5.3
95.08609	36.9
97.02952	2.8
97.06535	3.4
97.10178	9.3
99.08104	2.8
100.65290	2.1
100.81317	2.2
105.07027	32.2
105.43486	1.9
107.08600	34.6
109.06546	3.5
109.10142	17.4
117.07033	14.4
119.08582	32.7
121.10131	19.2
123.08170	2.5
123.11726	2.9
125.09647	13.2
129.06975	9.2
131.08559	21.9
133.10138	25.6
135.08040	3.3
135.11699	12.6
143.08568	4.6
145.10141	30.4
147.11691	20.6
149.09633	3.5
155.08569	3.1
157.10144	5.3
159.11624	18.8
161.09512	2.4
161.13271	9.2
169.10112	3.5
171.11740	4.9
173.13219	11.5
183.11716	9.8
185.13258	18.7
187.14835	3.9
189.11230	2.9
197.13272	2.9
219.17252	3.3
227.12814	4.0
239.18040	3.7
257.18970	12.1
261.22177	2.9
275.20065	21.7
335.25790	39.9
349.23730	32.5
419.24048	3.3
609.45239	100.0
627.45923	21.2
629.93036	2.5
748.01044	2.5
753.48895	3.5
786.17419	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	827.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
62.75234	0.2
63.33059	0.2
65.03929	0.4
66.05149	0.2
67.20981	0.2
68.39280	0.2
69.03445	1.6
71.04999	0.2
73.02918	0.2
81.03416	1.2
85.02913	2.7
87.00825	1.3
91.05486	2.3
93.03402	0.3
97.02898	9.8
99.04446	1.0
105.01917	0.7
107.08523	0.2
109.02892	2.2
111.56028	0.2
119.04944	7.7
121.02922	0.3
127.03920	2.2
129.01889	0.3
145.04964	0.4
147.04414	50.3
149.02316	0.2
153.16873	0.2
159.02898	1.1
159.04346	0.4
159.08041	1.9
167.03403	0.3
169.06522	1.1
171.08144	0.2
177.05461	1.0
185.05983	0.9
187.07545	1.1
197.04344	0.3
197.05994	1.1
198.10017	0.2
202.20505	0.2
225.05537	0.2
231.04884	0.3
243.06416	1.7
261.07599	1.7
275.72708	0.2
279.08688	1.1
286.04584	0.2
301.07065	100.0
320.23590	0.2
343.08066	0.9
395.10205	0.2
527.13708	0.3
549.12366	8.5
579.14740	0.3
751.33527	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	827.2023
Annotation	Pelargonidin 3-(6''-p-coumarylglucoside)-5-(4'''-malonylglucoside)
Peak:m/z	Relative Intensity
59.54384	0.6
65.03962	0.6
69.03423	0.7
81.03409	1.2
85.02921	2.5
87.00838	0.9
91.05487	1.1
93.03411	2.5
97.02890	27.3
105.13046	0.5
109.02868	3.0
119.04935	7.0
121.02869	0.8
127.03901	2.1
147.04411	47.1
149.02339	2.3
157.06540	0.7
157.54408	0.5
159.02821	0.6
159.08025	9.2
167.03397	5.5
169.06480	4.2
185.05980	1.0
187.07536	5.7
197.06009	3.5
215.07019	5.0
261.07523	11.3
279.08496	2.7
301.07050	100.0
343.08157	0.7
424.06329	0.6
451.32086	0.7
464.16132	0.6
492.07657	0.6
549.12372	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	827.4411
Annotation	Unknow
Peak:m/z	Relative Intensity
62.27814	2.7
63.71420	3.4
66.30082	3.0
67.05495	3.3
69.07085	4.9
81.07056	20.4
85.02907	28.3
87.67122	3.2
92.64698	3.2
93.07049	7.6
95.01329	7.9
95.08618	52.4
97.02911	4.9
100.48759	3.5
105.07004	5.8
107.08615	37.6
109.10162	38.6
111.08095	7.3
119.08593	18.3
121.10110	29.9
123.11697	12.8
126.91544	3.3
127.03872	6.8
133.10135	17.5
135.11687	12.6
137.13251	4.4
141.01830	65.5
145.10110	7.6
147.11681	27.3
149.13255	25.8
159.02843	5.5
159.11696	24.7
161.13249	27.8
163.14833	15.8
169.10063	3.6
171.11639	12.7
173.13188	25.5
175.14807	21.7
177.16444	7.9
185.13254	6.0
187.14786	21.0
189.16423	19.3
191.18001	7.9
199.14836	5.4
201.16396	25.8
203.18054	17.2
205.15826	4.0
213.16333	12.7
215.17967	7.2
217.19432	5.4
219.17383	4.5
231.13695	4.0
231.17311	3.6
233.15265	7.9
240.23688	4.5
245.15526	5.1
259.16785	4.4
305.21005	4.3
339.27271	3.7
413.30072	7.6
435.32816	8.3
441.33539	8.3
453.33621	100.0
471.34714	79.6
550.78906	3.7
569.14581	3.6
611.36597	4.3
629.36621	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	827.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35442	3.0
62.91415	3.0
63.07815	2.8
66.36922	2.8
67.05515	4.0
69.03432	20.4
69.07062	3.6
71.04989	31.4
73.02889	3.8
80.69910	2.8
81.07063	4.6
81.69942	3.3
83.08656	4.9
85.02908	94.9
85.06541	14.0
85.28072	3.0
97.02322	5.8
97.02893	84.2
97.10168	18.9
106.91212	3.8
107.08601	37.3
109.10142	8.0
115.03929	79.2
117.07076	3.4
121.10114	3.9
123.11697	4.8
125.09641	53.7
127.03928	21.5
127.11210	4.2
133.10181	4.4
143.08472	3.9
143.10670	100.0
157.04965	99.1
159.11674	6.2
175.06000	57.1
183.11771	3.9
204.23276	4.3
356.38940	3.4
419.32907	14.5
437.34082	28.3
455.34967	16.3
611.39459	3.7
638.12939	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	827.4779
Annotation	Isoastragaloside II
Peak:m/z	Relative Intensity
58.35442	3.0
62.91415	3.0
63.07815	2.8
66.36922	2.8
67.05515	4.0
69.03432	20.4
69.07062	3.6
71.04989	31.4
73.02889	3.8
80.69910	2.8
81.07063	4.6
81.69942	3.3
83.08656	4.9
85.02908	94.9
85.06541	14.0
85.28072	3.0
97.02322	5.8
97.02893	84.2
97.10168	18.9
106.91212	3.8
107.08601	37.3
109.10142	8.0
115.03929	79.2
117.07076	3.4
121.10114	3.9
123.11697	4.8
125.09641	53.7
127.03928	21.5
127.11210	4.2
133.10181	4.4
143.08472	3.9
143.10670	100.0
157.04965	99.1
159.11674	6.2
175.06000	57.1
183.11771	3.9
204.23276	4.3
356.38940	3.4
419.32907	14.5
437.34082	28.3
455.34967	16.3
611.39459	3.7
638.12939	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	827.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
66.56385	1.3
67.05521	1.6
67.46126	1.3
69.03432	14.9
70.06598	1.9
71.04991	12.1
73.02940	3.3
75.45861	1.4
79.05481	1.6
81.07045	2.1
82.66354	1.6
83.08657	2.2
85.02429	2.8
85.02916	57.1
85.06549	6.6
93.07071	1.7
95.08608	7.7
97.02896	75.4
97.10133	5.7
103.01159	1.4
104.98642	1.5
105.07021	3.0
107.08617	15.7
109.10163	13.1
110.79955	1.8
115.03936	52.0
117.06963	1.6
119.08568	2.2
120.55025	1.5
121.10137	3.9
123.11713	4.0
125.09637	19.6
127.03920	12.8
127.11169	3.7
131.08534	1.6
133.10126	3.9
135.11722	3.9
139.90355	1.4
141.01842	5.7
143.08708	2.2
143.10696	34.9
145.10132	2.6
147.11707	3.9
149.13222	2.1
157.04970	100.0
157.10135	3.1
159.11726	6.7
161.13226	2.4
171.11662	3.0
173.13263	3.6
175.06026	67.3
175.07498	3.1
175.14880	2.9
183.11757	1.8
185.13284	7.0
187.14900	1.9
191.92796	1.8
199.14864	2.8
240.23344	1.7
253.19701	2.4
419.33063	10.7
437.34256	20.5
455.35208	11.8
470.33542	2.6
471.33853	6.6
473.36469	3.0
629.39807	3.4
702.05225	1.7
729.36609	1.9
765.52411	1.7
796.57135	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	827.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
62.79920	0.9
63.75208	1.0
67.05488	3.8
67.66046	1.1
69.03435	17.2
69.07063	4.7
71.04998	29.3
73.06558	6.4
79.05492	1.2
81.07064	9.4
83.04954	1.8
83.08612	6.2
85.06554	13.2
93.07042	2.1
95.08610	12.3
97.02893	20.0
97.10171	20.5
105.07030	2.0
107.08598	35.0
109.10165	16.6
115.03930	16.9
117.07024	1.2
119.08575	6.6
121.10160	7.9
123.11699	16.0
125.09629	59.4
127.11193	7.0
131.08582	4.4
133.10143	6.1
135.11699	4.6
141.12730	11.1
141.64314	1.0
143.08533	2.2
143.10678	100.0
145.10155	5.1
147.11705	8.2
149.13313	2.3
157.10114	5.7
159.11668	8.7
161.13254	6.7
169.10120	4.3
171.11693	5.8
173.13220	10.1
175.05984	7.8
175.14813	2.0
181.10138	1.4
183.11694	4.4
185.13258	9.4
187.14806	4.6
197.13278	2.5
199.14825	7.0
201.16371	5.9
203.14241	1.4
209.31259	1.1
211.14775	2.5
213.16312	1.9
215.17973	1.8
223.14832	2.0
225.16341	2.2
237.16371	3.9
249.16235	1.3
251.17860	2.4
253.19600	1.7
267.21057	1.2
271.20633	1.4
279.21106	1.6
297.22168	2.5
315.23315	1.9
333.25577	1.8
401.32187	1.9
419.33063	17.3
425.34091	1.6
437.34177	34.5
455.35217	18.0
473.36157	4.8
590.71283	1.3
611.39246	2.5
628.50586	1.2
629.40289	4.3
770.99512	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	827.4768
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	3.2
67.87949	0.8
69.03425	19.1
69.07055	3.4
71.04993	17.3
71.32961	0.8
72.85879	0.8
73.02916	3.0
73.06564	2.0
79.05503	1.2
80.71702	0.7
81.07062	4.2
83.04981	3.6
83.08638	6.5
85.02908	70.9
85.06538	12.8
93.07041	1.9
95.08617	5.7
97.02891	100.0
97.10167	11.3
98.16513	0.8
99.08052	1.0
103.91440	0.8
105.07030	3.6
107.08590	26.8
109.10168	14.4
115.03928	70.6
119.08591	5.0
121.10144	4.2
123.11704	5.5
124.17802	1.0
125.09631	40.1
127.03924	14.2
127.11195	8.0
129.07007	0.9
131.08578	1.6
133.10146	3.2
135.11652	1.3
136.80579	0.8
140.55911	0.8
141.12729	1.6
143.10677	65.2
145.10097	5.2
147.11699	4.2
149.13283	3.2
151.11275	0.9
157.04956	97.4
157.10126	3.3
159.11670	4.2
161.13225	1.6
169.10063	1.1
171.11719	4.4
173.13264	4.9
175.06018	69.5
175.14816	1.5
183.11606	1.2
185.13257	6.0
187.14822	1.3
189.16409	1.2
197.13196	1.4
199.14903	1.3
201.16359	2.0
203.14528	0.9
209.13217	1.0
211.14743	1.5
215.17894	1.3
223.14908	0.9
225.16295	1.1
228.06786	0.8
237.16412	1.2
251.17891	0.8
252.82837	0.8
253.19496	1.9
297.22058	0.9
325.16275	1.6
401.32144	1.3
419.33029	8.4
425.25076	29.7
437.28754	1.3
437.34210	23.3
455.35263	15.2
473.36462	5.7
597.48596	0.9
611.39227	1.4
629.40204	4.0
630.84961	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	827.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
64.82767	2.0
67.05505	2.3
69.03445	19.9
71.04998	22.8
73.02914	3.4
73.06557	4.3
81.07054	3.9
83.08604	3.6
85.02908	88.2
85.06542	14.4
95.08627	4.3
97.02272	2.7
97.02893	76.4
97.10170	15.0
105.07034	2.9
107.08608	36.2
109.10156	10.1
115.03925	69.5
120.71825	1.8
121.10120	3.8
123.11697	7.8
125.09631	59.5
127.03916	17.4
127.11176	2.8
141.12761	3.0
143.10677	100.0
145.10155	2.8
147.11681	3.9
157.04961	95.4
161.13303	2.5
169.10068	2.5
173.13271	4.5
175.06013	78.3
175.07489	3.5
175.14771	3.1
177.82739	2.0
183.11668	2.3
185.13274	3.7
187.14780	3.2
189.16331	1.7
199.14754	1.8
201.16493	2.0
203.91290	1.8
259.90363	2.0
419.33109	9.2
430.92346	2.3
437.34073	28.0
455.35178	18.9
455.40683	2.2
629.40344	2.8
675.81403	2.5
792.19232	2.2
805.57861	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	828.4739
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05512	8.9
69.03431	7.1
69.07068	6.6
74.21409	0.9
74.77258	1.0
80.63562	1.1
81.03411	1.1
81.07052	8.3
85.02917	27.2
87.04486	1.5
87.26456	0.9
91.03972	1.4
91.05486	1.9
92.21375	2.7
93.07021	4.6
94.44233	1.2
95.08627	10.5
97.02884	7.1
97.10191	1.4
99.04462	1.4
105.07030	4.8
107.08611	8.7
109.02877	2.3
109.06516	1.2
109.10159	38.2
119.08552	5.5
121.10146	6.8
123.11709	2.7
127.03929	7.2
130.51768	1.3
131.08617	2.4
133.10138	6.3
135.08043	2.6
135.11702	4.9
143.08600	1.7
145.04961	2.5
145.10124	5.8
147.08087	1.7
147.11685	6.9
157.10120	5.6
159.08060	1.5
159.11761	3.9
161.09630	2.1
161.13248	4.9
169.10242	1.7
171.08084	2.0
171.11719	5.7
173.09648	4.6
173.13315	2.5
175.14827	1.5
177.09105	1.3
181.10072	1.5
183.11659	2.6
185.09641	5.1
185.13268	5.1
187.11182	1.8
187.14819	2.0
195.11760	2.6
197.09741	1.4
197.13208	2.4
199.11116	4.5
199.14813	1.9
201.12807	1.3
207.11597	1.5
209.13228	2.7
211.11224	7.9
211.14850	2.2
213.12732	2.5
213.16347	1.8
221.13168	2.8
223.11101	1.9
223.14803	2.6
223.39110	1.2
225.12720	5.3
225.16418	2.0
227.14375	1.8
229.15753	1.8
235.14769	2.1
237.12747	2.6
237.16438	2.6
239.14255	2.2
239.17981	1.7
241.15845	1.7
249.16310	1.2
249.36511	1.2
251.14255	2.1
251.17873	1.6
253.15822	1.4
255.17427	1.7
265.15826	1.6
267.17447	1.5
275.17761	1.3
291.21100	2.2
293.19040	1.6
295.20557	1.6
305.22540	4.6
307.20538	1.6
309.22128	5.9
321.22195	6.2
323.23709	6.0
333.22064	6.4
339.23105	5.1
347.23499	1.4
351.23129	8.4
363.26840	1.6
365.24881	2.3
369.24359	11.0
387.25391	5.2
403.29962	1.8
415.29803	4.5
421.30862	2.1
433.31122	13.2
451.32016	30.1
469.33157	13.6
490.55887	1.4
543.33215	1.8
549.30627	22.9
613.37244	17.2
631.38379	100.0
658.03241	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	830.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
64.80317	0.3
69.92214	0.3
84.44193	0.4
85.02818	0.4
89.93993	0.4
90.44628	0.3
108.27715	0.4
260.04916	0.4
350.42679	0.4
350.56018	0.4
450.30356	2.6
474.31107	0.6
492.32208	100.0
692.93250	0.4
715.20465	0.4
731.30841	0.5
830.40845	65.1
830.55371	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	830.491
Annotation	Unknow
Peak:m/z	Relative Intensity
60.68544	2.1
63.95747	2.3
64.36013	2.1
67.05503	16.1
69.03415	5.5
69.07065	13.5
71.18054	2.0
71.51022	2.1
72.23959	2.2
81.07060	28.1
83.08634	2.8
85.02911	31.6
85.06534	2.7
85.56269	2.3
91.05484	5.3
93.07066	19.4
95.04981	2.8
95.08620	28.9
95.55190	2.8
95.60158	2.4
97.02905	5.5
99.08084	5.1
100.96222	2.2
105.07042	17.1
107.08614	30.2
109.06546	3.5
109.10159	63.2
111.08076	3.2
111.11676	3.3
111.47278	2.4
119.08581	23.3
121.10168	24.4
123.08070	2.7
123.11681	11.4
127.03920	9.7
129.99541	2.5
131.08554	12.4
133.10114	19.5
135.11679	15.1
137.09595	4.2
143.08548	10.4
145.04971	4.4
145.10095	22.3
147.08084	2.9
147.11685	16.1
149.13254	11.9
151.11185	3.3
157.10133	16.3
159.11710	11.4
161.13254	18.5
165.12756	4.2
169.10149	11.3
171.11644	10.3
173.13269	17.3
175.11168	2.9
175.14783	17.4
181.10106	3.5
183.11691	10.9
185.13261	12.4
187.14806	12.6
187.39722	2.7
195.11617	3.9
197.13228	10.8
199.14847	10.7
201.12738	3.0
201.16383	5.4
207.11740	4.0
209.13293	5.8
211.14793	9.1
213.12746	3.0
213.16331	9.9
217.16043	2.7
223.14873	5.1
225.16397	6.0
227.14218	2.7
227.18094	3.9
229.15924	2.7
237.16446	10.3
239.18015	3.3
241.15887	2.8
241.19563	3.9
249.16386	4.6
251.17903	5.8
263.17856	5.0
266.09378	2.7
268.73712	2.7
269.18945	3.4
277.19482	4.3
279.17105	2.6
279.21066	3.3
281.18878	4.3
291.21054	3.5
295.20728	3.1
297.22131	6.0
305.22638	11.3
323.23679	9.7
335.23740	3.3
349.25510	7.8
387.30273	5.1
397.27307	4.5
399.30984	4.0
405.31317	9.9
407.33191	3.7
417.31439	26.3
435.32529	73.7
452.32245	4.6
453.33633	86.5
469.32947	4.5
470.33356	5.4
471.34543	20.3
485.29062	3.9
511.30298	3.3
533.30811	13.0
579.22131	3.0
597.37988	22.9
615.38953	100.0
633.39874	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	832.5041
Annotation	Unknow
Peak:m/z	Relative Intensity
65.18690	1.2
67.05509	18.9
69.03429	6.3
69.07070	12.8
70.06573	1.5
79.05501	3.6
81.03411	2.2
81.07066	24.6
83.08619	5.3
85.02903	41.2
91.03941	1.7
91.05489	3.7
92.21340	3.2
93.07026	15.8
95.08611	35.9
97.02904	15.0
97.10201	3.4
99.04420	1.6
100.18542	1.4
105.07034	10.1
107.08595	27.6
109.10161	63.2
119.08580	21.2
120.75481	1.3
121.10149	24.2
123.08080	2.4
123.11727	14.7
125.09642	2.5
127.03924	10.2
131.08588	7.5
133.10127	18.5
135.08101	6.0
135.11728	13.7
137.13258	6.3
139.11218	2.1
143.08554	6.4
145.04982	7.1
145.10109	15.7
147.11679	16.6
149.09549	1.7
149.13274	11.0
155.08559	2.6
157.10135	11.3
159.11652	14.9
161.09618	2.6
161.13258	14.7
163.11195	2.8
163.14816	7.0
169.10114	5.4
171.11731	12.8
173.09644	1.7
173.13255	14.6
175.11191	2.5
175.14815	13.6
177.12724	1.6
177.16403	3.2
181.10118	2.7
183.11705	7.2
185.13269	8.6
187.11211	2.2
187.14853	12.5
189.12712	3.4
189.16354	2.5
191.14320	2.0
195.11700	3.7
197.13268	9.3
199.14862	9.9
201.16359	3.0
203.28679	1.5
209.13275	2.6
211.14890	5.5
213.16399	10.2
215.14299	2.3
215.17967	6.0
217.15817	2.0
223.14842	2.3
225.16399	9.6
227.17993	6.3
229.15785	1.8
229.19606	2.0
237.16386	6.0
239.17969	6.0
241.19513	2.0
243.17398	2.4
251.17946	3.4
253.19502	7.5
255.17480	3.3
255.21118	1.9
265.19501	2.9
267.21021	2.4
269.19000	3.0
270.91898	1.4
271.20752	1.4
277.19482	1.8
279.21130	1.9
281.22580	2.0
297.22134	2.4
309.22137	7.3
311.23776	2.4
325.11282	3.1
337.25220	2.6
345.25873	2.1
361.28702	1.7
363.27072	1.7
369.27194	1.6
401.32043	14.1
417.16888	1.6
419.33087	64.1
421.34348	1.7
437.34155	100.0
455.35141	51.7
581.38330	7.6
599.39270	15.8
617.40631	10.5
743.43671	2.2
761.44574	8.7
779.45337	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	832.504
Annotation	Unknow
Peak:m/z	Relative Intensity
61.20674	15.3
79.06873	17.8
81.50183	18.9
88.12045	19.6
95.08589	25.0
105.63842	20.7
109.47311	20.3
119.08595	23.8
196.97720	18.2
199.14886	24.6
297.81870	22.2
401.32202	22.3
419.33020	28.8
437.33981	100.0
551.65131	24.6
749.19708	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	837.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
59.72802	0.3
60.06576	0.3
60.15960	0.4
65.40358	0.3
66.72907	0.4
69.03426	3.4
71.83912	0.4
73.02935	0.4
74.97187	0.4
81.03419	6.9
85.02901	5.2
87.00821	1.6
92.21507	0.6
97.02869	3.1
99.04427	0.7
99.11728	0.8
109.02866	3.9
127.03941	4.0
127.11172	0.5
145.04926	0.5
145.12213	0.7
159.02846	0.8
271.15436	3.1
289.16492	2.8
301.07053	100.0
452.81467	0.5
456.22928	0.4
467.21652	0.5
492.85248	0.4
589.22894	6.9
674.99017	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	837.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
60.61126	2.3
69.07073	2.4
71.44434	2.3
73.02902	2.8
81.07053	6.1
85.02910	40.4
95.01342	13.0
95.08595	20.1
103.03996	5.1
105.07033	3.5
107.08588	13.9
108.02409	2.7
109.10171	11.0
113.02380	5.5
119.08615	6.3
121.10162	9.7
123.00773	3.7
123.11682	5.3
131.03415	2.9
131.08565	10.4
133.10156	13.2
135.11702	9.7
141.01828	100.0
145.10126	15.2
147.11668	4.2
149.13239	4.5
157.10037	5.1
159.02888	17.7
159.11725	12.6
161.09622	4.4
161.13307	6.3
171.11678	3.5
173.09610	3.8
173.13274	11.3
175.14789	3.2
177.16431	4.9
185.13229	4.9
187.11188	4.7
187.14847	14.6
189.09137	5.7
189.16414	3.9
197.13289	6.4
201.16371	5.6
203.10654	11.0
207.10124	4.7
207.17320	3.4
215.10693	16.6
215.14310	12.0
221.11725	11.6
229.12326	3.3
231.13718	4.5
233.11702	22.2
243.13751	25.4
246.56517	3.2
255.13867	4.1
261.14853	23.9
409.27316	9.9
431.29611	5.0
437.30719	19.1
449.30453	57.1
467.31644	98.6
485.32584	4.5
625.33459	11.1
770.28918	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	837.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	2.5
66.81033	1.0
67.05509	4.6
69.03432	7.8
69.07058	1.2
71.01350	1.9
72.04365	1.0
73.02921	2.7
76.58432	1.0
79.05484	2.0
81.03403	2.0
81.07066	12.4
81.24577	1.0
83.08611	1.4
84.08130	1.4
85.02496	1.6
85.02908	39.3
91.05482	4.5
93.07055	9.1
95.01321	5.5
95.08614	19.1
97.02892	12.3
99.04436	1.5
101.02364	1.3
103.03946	1.4
105.07034	11.1
107.08581	12.8
109.02884	4.6
109.10170	14.3
111.08109	1.4
113.02369	4.4
119.08564	11.9
121.10143	17.7
123.11697	7.6
127.03911	6.7
131.03447	1.5
131.08560	4.5
133.09175	1.5
133.10121	15.3
135.11668	6.0
139.11214	1.5
141.01834	31.6
145.04971	2.3
145.10097	9.4
147.11729	11.0
149.13304	8.9
157.10114	1.4
159.02977	1.5
159.08066	2.3
159.11714	10.5
161.13237	5.9
163.14792	5.1
171.11685	2.5
173.09579	7.7
173.13278	7.5
175.11194	6.0
175.14771	8.8
177.16367	2.2
184.89943	1.0
185.09636	1.8
187.07530	1.7
187.11183	34.3
187.14798	2.6
189.12723	12.3
189.16405	6.1
197.09613	1.8
199.11153	5.3
201.09146	5.3
201.12738	14.7
201.16417	1.1
203.10744	1.3
203.18077	7.6
207.17348	1.5
213.09087	4.2
213.12729	5.9
213.16405	1.9
215.10667	100.0
215.17915	5.8
217.12244	6.6
227.14270	1.6
229.12267	14.3
233.18889	1.4
239.14203	1.7
241.12219	1.4
241.15811	1.7
243.10146	6.4
245.11690	1.2
253.16035	4.1
261.11206	64.1
267.17484	1.5
275.12811	7.4
295.17429	1.1
309.52609	1.2
389.28430	1.9
417.27817	4.7
423.25363	8.0
435.28879	2.7
445.27008	1.6
451.28464	9.5
463.28433	19.6
481.29480	97.7
499.23434	2.0
499.30478	40.2
639.31555	5.0
657.32635	1.6
675.33728	9.4
708.73053	1.2
837.39075	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	837.4598
Annotation	Unknow
Peak:m/z	Relative Intensity
60.72322	0.5
64.96464	0.4
69.04061	0.6
69.54996	0.5
70.06592	0.5
84.43181	0.4
86.67860	0.5
93.20195	0.5
98.51528	0.5
160.82394	0.5
299.68591	0.6
314.52222	0.5
377.78424	0.6
639.38928	0.9
657.39819	0.9
659.41138	0.6
675.40637	0.7
779.57593	0.7
819.44525	1.2
837.46033	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	2.6
69.03442	3.1
69.44464	1.7
70.06576	2.5
79.05508	2.6
81.07067	14.3
83.08624	1.6
85.02916	17.5
86.09697	2.5
91.05503	2.9
93.07047	9.5
95.01328	8.2
95.08621	24.3
97.02878	6.9
98.89307	1.6
103.03951	2.5
105.07022	9.8
107.08600	20.6
109.06491	1.9
109.10163	15.8
111.08108	7.2
119.08576	14.0
121.10108	12.5
123.11685	7.8
127.03925	3.8
131.08578	3.3
133.10149	13.3
135.11725	6.5
141.01836	36.7
143.08524	1.9
143.16281	1.7
145.04961	3.1
145.10170	12.4
147.11678	12.1
149.13263	13.6
157.10139	7.4
159.02917	3.0
159.08037	1.9
159.11717	15.5
161.13235	13.3
163.14694	1.9
167.06960	1.6
169.10048	2.2
171.11676	15.3
173.09613	2.6
173.13191	10.8
175.11215	3.3
175.14836	10.2
177.16371	7.4
183.11755	2.8
185.09570	2.2
185.13251	9.1
187.11218	2.2
187.14876	9.1
189.09219	2.0
189.16411	4.0
197.13286	8.4
199.11186	26.2
199.14796	2.5
201.12791	3.3
201.16399	7.7
203.10686	3.3
207.10059	2.3
209.13289	2.9
211.11339	2.1
211.14816	3.9
213.12770	6.8
213.16341	3.1
215.10741	6.8
215.17830	2.2
217.12265	2.6
217.19569	2.1
223.14745	3.0
225.16405	4.0
227.18063	2.4
237.16325	4.2
239.14368	2.8
245.11656	3.8
261.11172	2.5
265.19714	2.1
277.19446	2.6
281.15109	2.1
295.16858	2.5
307.16730	2.0
391.30078	2.3
407.25720	3.7
419.29361	3.3
435.28845	10.9
447.28973	35.1
453.29395	4.1
465.30002	100.0
483.30988	56.3
501.31775	6.8
623.31720	10.8
641.32849	7.4
659.33539	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	839.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	5.1
69.03426	1.7
69.07061	1.7
71.01357	1.6
73.02916	1.8
79.05486	1.6
81.07063	9.9
85.02429	1.8
85.02915	39.8
90.46957	1.0
93.07038	8.3
95.01340	10.2
95.08616	22.9
99.00845	1.4
103.03951	6.1
105.07030	4.2
107.08608	13.6
109.10162	13.3
111.08089	5.0
113.02369	6.7
118.80079	1.3
119.08575	12.9
121.10160	11.7
123.08090	2.1
123.11714	4.2
131.03394	6.2
133.10153	12.9
135.11713	8.7
141.01830	100.0
145.09019	1.1
145.10072	9.2
147.11691	12.0
149.09669	1.0
149.13264	12.8
151.11180	1.2
157.10149	2.1
159.02872	22.2
159.11697	12.8
161.09633	1.6
161.13257	12.8
163.14850	4.5
169.08617	2.0
169.10063	1.3
171.11667	6.6
173.13277	8.7
175.14801	7.2
177.03946	4.7
177.16389	5.0
179.10675	1.7
185.13297	7.7
187.14830	5.4
189.12929	1.3
189.16345	7.8
197.13242	1.4
199.14813	5.5
201.16336	7.5
203.14403	4.6
203.17999	4.8
203.99464	1.1
207.17386	1.8
211.14822	4.6
213.16306	1.7
215.14507	1.2
215.17929	6.3
217.15915	4.2
219.13858	1.6
225.16388	1.6
229.12163	1.4
231.13768	2.5
233.18982	2.0
239.18021	1.6
245.15341	3.8
251.17772	1.3
257.15417	4.3
275.16403	4.7
289.18085	1.6
301.18088	1.2
317.05020	7.1
320.04575	1.1
353.07242	4.4
393.27750	1.3
405.31262	1.6
411.29141	9.0
433.31003	4.2
439.31992	9.3
451.25647	1.2
451.32028	37.9
469.33154	63.0
536.68494	1.2
627.35468	7.8
683.78473	1.2
839.41370	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	841.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	2.6
71.04997	7.5
73.02899	1.4
73.03276	0.2
81.03428	2.7
81.26862	0.3
83.04978	1.5
84.03815	0.3
85.02911	12.7
87.00822	1.7
92.52723	0.3
96.47685	0.3
97.02879	1.9
99.04461	1.9
105.01868	1.5
109.02874	3.4
111.04443	1.8
117.01826	0.3
121.28641	0.3
127.03915	4.0
129.01840	0.3
129.05466	1.7
145.04919	0.6
159.02901	1.8
301.07056	100.0
343.08038	0.5
456.70212	0.3
472.71353	0.3
549.12378	15.6
695.17914	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	841.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88110	1.9
59.99479	1.7
69.03436	4.5
69.07086	3.3
79.05492	2.7
81.03432	4.0
81.07066	14.7
85.02911	46.4
91.05521	2.6
93.07047	13.6
95.01326	5.1
95.04996	2.0
95.08606	25.6
95.13863	2.4
95.76677	2.2
97.02885	14.1
99.04436	3.1
105.07034	16.5
107.08588	19.3
109.02856	2.2
109.10177	12.4
111.08099	5.1
113.02377	3.2
118.93079	2.6
119.08640	17.0
119.09312	2.0
121.10156	16.6
123.11741	8.5
127.03901	14.4
131.08554	9.2
133.10138	13.3
135.11639	4.4
141.01833	55.1
143.08525	5.0
145.04961	3.3
145.10133	25.3
147.11705	20.9
149.09622	5.2
149.13261	5.2
157.10066	16.0
159.08041	8.6
159.11725	22.3
161.09604	5.1
161.13254	8.1
163.11282	2.9
171.11707	12.6
173.09648	15.4
173.13245	17.0
175.11209	11.4
175.14854	9.1
177.09105	3.5
177.12770	2.1
181.10091	2.3
183.11693	3.2
185.09654	4.9
185.13316	8.0
187.07666	2.6
187.14780	22.7
189.09129	4.2
189.12769	5.0
189.16376	3.1
191.10692	4.7
197.13348	4.5
199.11159	10.2
199.14769	19.6
201.12718	4.8
201.16341	3.9
205.15903	3.3
207.47354	2.2
209.13324	4.0
211.11234	4.0
211.14835	3.1
213.12712	3.5
213.16415	4.2
215.14296	3.5
217.12259	12.3
217.15784	7.8
223.14865	3.7
225.12769	3.3
227.10632	2.6
227.14307	4.8
229.12222	2.7
235.13139	4.2
237.12822	2.6
239.14322	4.0
241.12219	3.3
243.13974	2.7
245.11774	4.4
251.14157	2.5
255.13760	4.6
257.15530	2.8
263.12781	9.6
269.11819	3.2
269.15369	4.3
274.25687	2.5
287.05179	2.9
409.23645	5.3
422.56647	2.8
431.25778	9.5
437.26813	15.9
449.26810	33.1
455.27621	4.8
467.27951	100.0
485.28979	98.6
503.30026	63.1
625.30353	2.9
643.30750	4.3
661.32098	19.2
679.33203	81.7
841.38049	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	841.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	0.9
67.05506	5.0
69.03426	3.3
69.07063	4.0
73.02899	1.1
78.98849	0.8
79.05503	1.9
81.07061	17.8
83.08630	2.1
85.02905	26.1
91.03951	4.5
91.05480	4.2
93.07035	11.7
95.01321	8.6
95.08602	32.7
97.02898	8.1
97.10174	1.2
99.04445	0.9
99.11376	0.8
103.03917	1.4
105.07040	13.3
107.08598	19.6
107.24020	0.9
109.02940	1.1
109.10153	30.2
111.08076	17.9
113.02357	1.3
117.07009	1.0
119.08585	17.5
121.06497	3.3
121.10144	26.4
123.11697	8.9
127.03937	5.0
128.06258	0.8
131.03377	1.1
131.08556	6.7
133.10133	23.7
135.08099	0.9
135.11694	14.4
137.13275	3.5
139.11194	1.1
141.01826	46.1
141.02928	1.8
141.07115	1.0
143.08580	3.5
145.04950	5.3
145.10139	15.3
147.08110	0.9
147.11685	20.2
149.13255	36.4
155.08545	5.0
157.10123	12.0
159.02943	3.6
159.08095	1.8
159.11682	22.8
159.12915	1.6
161.09615	3.4
161.13242	17.1
163.06030	1.8
163.11212	1.5
163.14793	10.8
165.12660	1.0
169.10126	10.8
171.11685	18.7
173.09666	6.4
173.13255	27.1
175.11215	8.5
175.14819	12.6
177.12735	3.7
177.16380	21.0
183.11687	12.4
185.09595	3.8
185.13232	17.0
187.11185	7.9
187.14799	15.7
189.12744	7.1
189.16376	25.3
191.14334	1.0
191.17943	1.7
195.11699	3.9
197.13235	10.2
199.11145	6.5
199.14853	9.8
201.12749	15.2
201.16391	14.4
203.10632	4.4
203.14290	6.9
203.17958	9.7
205.12318	1.6
205.15866	4.1
207.10126	4.0
207.17467	8.4
209.13245	5.3
211.11128	1.6
211.14890	3.0
213.12726	4.5
213.16356	5.9
215.10721	1.8
215.14320	10.0
215.17908	11.7
217.12207	4.6
217.15929	1.4
219.13753	2.1
219.17329	1.4
221.11546	6.0
221.19054	1.2
223.14882	1.6
225.12828	1.6
225.16399	1.9
227.10561	1.0
227.14215	1.8
227.17941	1.8
229.12221	3.4
229.19467	1.6
231.10228	3.6
231.13782	3.2
233.11725	3.6
233.15398	1.5
233.19000	1.3
235.13196	16.2
237.16405	3.5
241.12358	1.3
241.15924	1.7
243.13754	6.0
243.17349	1.4
245.11734	1.5
245.15349	3.6
245.18848	1.0
247.13210	7.6
249.14828	2.0
253.19685	1.4
255.13663	3.2
259.13345	3.3
261.14764	6.2
267.20944	1.0
271.13266	1.3
273.14905	10.7
277.19510	1.4
287.16498	1.6
301.18073	1.8
313.17838	1.0
321.08310	1.4
327.19568	1.1
335.19632	1.0
341.21075	1.6
343.22617	0.9
353.34497	1.0
355.22525	1.0
375.30157	1.1
391.25983	1.4
391.80994	1.0
393.31528	3.3
403.29901	2.1
409.27301	4.8
419.29312	1.0
421.31094	1.9
427.28500	6.5
431.29312	4.9
437.30466	7.0
449.30554	36.2
455.31516	40.0
467.31558	80.9
485.32602	100.0
503.33325	8.6
607.32306	2.1
613.33313	3.9
625.33484	10.0
643.34808	12.1
661.35217	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	841.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	1.2
61.15951	0.9
67.05511	8.3
69.03419	1.2
69.07070	3.7
70.06603	1.3
71.01362	1.2
73.02927	1.3
79.05504	1.6
81.07061	18.6
83.08614	1.8
84.08136	1.0
85.02905	20.1
86.09700	1.0
90.82887	1.0
91.05499	1.6
92.98483	1.0
93.07043	13.3
95.01319	9.6
95.08607	27.6
97.02880	7.7
97.70625	1.0
99.00811	1.0
99.04467	1.0
101.02390	1.3
103.03973	1.9
105.07037	9.7
107.08610	18.1
109.06523	7.1
109.10155	64.0
109.10908	2.3
111.08087	12.1
113.02339	1.2
119.08579	12.3
121.10154	19.5
123.11721	10.8
127.03897	5.8
131.08557	5.8
133.10135	14.5
135.08046	1.1
135.11688	18.2
137.13228	4.4
141.01823	45.8
143.08586	4.2
145.04956	4.5
145.10124	13.2
147.11694	16.1
149.13242	15.7
151.14824	1.1
155.08571	2.3
157.10117	20.7
159.02890	4.1
159.11681	21.0
161.09621	1.8
161.13231	9.7
163.14838	11.3
169.10123	6.1
171.08102	1.6
171.11685	10.7
173.09586	1.2
173.13268	17.1
175.11142	1.9
175.14795	8.8
177.12781	5.5
177.16371	8.2
181.10030	1.1
183.11719	8.1
185.09659	4.7
185.13254	9.6
187.11194	4.3
187.14836	13.9
189.09044	1.4
189.12782	2.1
189.16399	5.6
195.11734	2.0
197.13281	13.2
199.11153	5.9
199.14801	16.5
201.12723	1.9
201.16380	9.3
203.10652	4.3
203.14268	2.1
203.17960	1.9
205.12163	1.4
205.15897	5.0
205.19556	6.3
207.11932	1.1
207.17326	1.2
209.13213	7.4
211.14751	7.7
213.12697	1.9
213.16380	16.2
215.10710	2.1
215.14375	5.4
215.17947	2.3
217.12256	1.7
217.15869	4.6
219.17386	2.2
221.11580	2.1
221.13486	1.4
223.14864	7.5
225.12718	2.2
225.16364	5.1
227.14227	1.4
227.17993	4.2
229.12265	2.2
231.13777	4.1
233.11601	2.1
235.14946	1.5
237.16359	1.8
239.17894	3.8
241.15855	5.1
241.19559	1.7
243.13788	4.9
245.11752	1.2
245.15405	3.6
249.16571	3.2
251.17969	3.9
253.15828	2.5
253.19484	1.7
255.13907	1.7
261.14804	2.2
265.15826	1.6
265.19556	4.0
267.13712	1.2
267.17041	1.1
267.21155	5.2
269.15298	2.0
271.13214	1.7
277.19406	1.2
281.15479	1.5
283.16925	2.5
293.15488	1.7
295.16971	5.4
305.22922	1.3
309.18643	1.4
309.22061	1.7
313.17877	1.7
319.24088	2.3
335.27319	2.1
339.19666	1.3
341.20938	1.7
355.22781	1.7
363.26303	1.4
363.30252	1.3
375.30545	7.6
391.26147	2.3
393.31363	12.5
402.77377	1.0
403.29980	10.6
409.27112	8.9
419.29688	1.4
421.30948	14.5
431.29288	11.2
437.30588	12.5
439.32047	5.8
441.04709	1.1
449.30490	77.3
467.31592	100.0
485.32819	2.4
512.06567	1.1
607.32501	4.4
625.33789	16.6
643.34314	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	842.438
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94993	4.9
60.31828	4.1
67.05499	8.0
68.58269	4.9
69.03426	32.3
69.07061	8.8
69.42986	4.5
78.25029	4.7
81.03430	27.0
81.07068	35.4
83.08616	7.8
85.02911	100.0
86.75102	5.0
87.00835	23.9
93.07040	20.4
95.08607	48.0
96.04301	4.9
97.02899	35.5
97.10172	9.3
98.60569	4.9
99.04468	20.9
105.01899	39.2
105.07035	6.2
107.08595	23.3
109.02869	36.9
109.10152	47.0
111.11731	8.1
119.08526	6.7
120.77512	4.4
121.10134	8.1
123.11715	20.1
126.33885	5.1
127.03922	84.5
135.11678	9.9
137.13292	10.0
141.01851	7.4
145.04974	11.4
147.11688	6.0
149.13260	23.5
159.02936	12.4
159.11728	8.6
163.14857	5.6
177.16409	6.9
213.03972	10.2
231.05069	19.8
249.06062	6.4
275.27332	7.0
293.28403	27.1
394.75943	6.1
444.60043	5.7
461.09082	6.7
479.10318	10.9
487.30478	7.6
505.31540	32.4
523.32837	20.6
541.33423	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	842.5618
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	80.4
69.07075	24.1
70.08526	2.9
72.91976	2.9
78.48112	3.2
79.05500	45.6
81.07063	100.0
83.05005	4.7
83.08622	19.8
88.67271	3.1
91.05476	31.0
93.07050	64.5
95.04979	5.3
95.08607	75.1
97.06530	23.1
97.10156	5.9
99.08141	3.5
105.07034	26.3
107.08608	45.4
109.06509	4.8
109.10147	45.1
111.08097	4.4
112.74394	2.7
117.07014	16.3
119.08582	35.1
121.10146	44.5
121.22662	3.3
123.11717	5.8
125.09603	4.0
129.05411	3.6
131.08575	16.6
133.10138	34.0
135.11710	28.6
143.08533	4.0
145.10120	24.3
147.11728	23.8
149.09621	5.9
149.13275	21.9
159.11687	24.6
161.13136	5.4
163.11238	5.1
171.11682	3.2
173.11801	4.5
173.13307	12.8
187.14774	4.1
229.14420	3.6
257.18979	4.0
261.22171	14.5
269.17438	23.4
275.20123	17.2
322.96307	4.1
335.25800	71.9
349.23788	19.3
367.24744	19.7
489.36075	9.9
529.38922	70.3
547.39154	5.8
569.42126	44.2
609.45111	58.5
627.46295	53.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
62.58318	0.2
63.02401	0.2
65.03941	0.2
68.99796	0.3
69.03442	2.0
69.95837	0.2
70.06562	0.2
71.05000	0.2
73.02903	0.3
81.03426	2.9
83.04996	0.2
85.02905	3.4
87.00816	1.4
89.03902	1.5
90.83722	0.2
93.03391	0.4
97.02893	12.5
99.04440	1.1
105.01875	1.5
109.02899	3.7
117.01884	0.2
117.03374	5.3
125.05918	0.2
126.40094	0.2
127.03915	2.9
129.01836	0.4
134.06644	0.2
135.04362	0.3
145.02846	35.7
145.04778	0.8
147.04353	0.3
149.02289	0.3
149.05981	2.3
157.06422	0.4
159.02914	1.5
163.03835	0.2
167.03400	1.9
167.04779	0.3
175.07603	0.4
177.05461	62.4
183.04445	0.2
186.05447	0.2
187.07433	0.2
189.05473	5.1
189.09137	0.9
199.07503	0.9
207.06514	1.0
215.07059	1.0
217.08572	0.9
227.06989	0.4
231.04926	0.3
269.43777	0.2
273.07587	1.6
287.05484	100.0
291.08688	1.3
301.07065	1.0
309.09668	0.5
311.58173	0.2
317.06564	0.8
329.06546	2.4
535.10760	10.4
557.15057	1.0
595.13879	1.0
850.95251	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	843.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	2.6
67.05508	1.0
69.03420	2.5
81.03419	2.4
85.02898	3.8
87.00822	1.0
93.03391	5.3
97.02892	42.4
99.04475	0.8
108.75901	0.6
109.02892	2.7
117.03336	4.8
121.02833	1.3
127.03909	3.4
129.07036	2.2
145.02852	31.2
149.02338	8.2
149.05971	1.1
151.03938	1.0
157.06500	4.7
159.02831	1.2
164.07713	0.5
167.03394	17.6
167.04842	2.2
168.18271	0.6
169.06490	2.2
177.05458	75.4
185.05989	2.6
189.05441	0.7
189.09123	5.9
199.07497	5.6
207.06494	2.1
213.05489	0.8
217.08542	9.4
218.63066	0.6
227.07019	4.7
231.04941	0.6
232.07257	0.6
237.84476	0.6
245.08055	5.2
253.12540	0.6
273.07480	1.2
287.05478	100.0
291.08612	15.2
309.09671	3.7
329.06644	4.8
535.10822	10.8
595.15021	0.7
877.21417	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	843.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
64.44839	0.2
65.03429	0.2
68.32332	0.2
68.99768	0.3
69.03432	4.3
80.63154	0.2
81.03432	3.0
85.02909	7.6
87.00827	2.5
87.04478	0.5
92.21680	0.3
94.44212	0.3
97.02894	3.6
99.04449	1.9
99.06226	0.2
102.78345	0.3
105.01854	1.3
109.02885	3.3
115.03918	0.6
116.81917	0.3
121.35876	0.3
127.03938	3.7
129.01859	0.4
145.04941	1.6
146.85063	0.3
159.02875	1.9
179.10411	0.3
188.29257	0.3
231.05095	0.4
271.20468	0.3
301.07056	100.0
328.90323	0.3
330.95645	0.3
343.08014	1.1
463.12338	26.1
468.61157	0.3
511.05200	0.3
514.41144	0.3
549.12384	1.5
711.17761	4.4
752.53851	0.3
765.31812	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	843.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
62.24559	2.8
62.66644	2.6
65.03947	4.0
67.05497	5.8
69.03435	4.8
70.06579	4.1
81.03399	4.2
81.07055	19.5
85.02904	34.1
93.07027	17.2
95.01311	7.4
95.08592	38.5
97.02905	13.8
100.54131	3.2
105.07016	21.9
107.08616	27.7
109.06570	3.4
109.10174	25.7
111.04421	12.3
111.08089	15.7
119.08580	23.7
121.10174	26.8
123.11739	5.5
125.05981	13.1
127.03875	7.5
131.08636	6.6
133.10092	28.6
135.11691	26.1
138.50240	3.6
141.01839	42.0
143.08517	4.7
145.05013	4.2
145.10098	27.0
147.11690	33.6
149.13289	25.3
153.05457	54.5
157.10104	17.9
159.02875	3.1
159.11642	36.7
161.09590	3.6
161.13280	30.4
163.14789	12.5
167.07005	6.8
169.10023	6.6
171.11700	19.8
173.13222	38.6
175.14839	18.4
177.05519	5.3
177.16393	18.5
181.04959	18.7
183.11739	4.8
185.13303	23.9
187.14822	27.6
189.05434	5.0
189.16463	26.0
191.17943	4.8
197.13329	5.6
199.14827	24.3
201.16385	27.0
203.10710	3.5
203.14224	3.9
203.17944	14.1
205.12209	6.9
205.15881	7.2
211.14763	7.6
213.16522	5.0
215.17908	6.4
216.07869	3.8
217.12279	5.0
217.15863	4.5
219.13736	7.4
219.17557	4.0
223.14915	3.9
225.07579	4.9
227.17900	6.7
231.13835	5.3
233.15294	6.5
245.15298	6.7
251.10707	17.4
256.64816	3.4
264.07764	7.5
267.06339	3.1
275.07077	5.0
276.07785	4.0
279.10129	12.9
301.07013	76.3
307.09714	29.1
308.10336	14.9
308.82901	3.6
311.12729	3.5
319.09518	6.1
323.12701	5.0
339.08603	5.1
339.12271	76.1
351.12354	17.6
369.13287	12.5
393.27682	4.3
405.31650	3.8
411.29007	5.5
421.30750	4.6
433.30865	24.9
439.31961	27.9
451.32053	84.3
457.32910	13.7
469.33160	100.0
487.34232	15.5
549.12219	12.9
595.21777	5.5
627.35229	12.7
768.33722	4.1
840.10742	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	849.5243
Annotation	Unknow
Peak:m/z	Relative Intensity
62.95438	0.4
67.05512	3.2
67.48531	0.4
69.07069	3.3
71.08634	13.8
81.07068	5.4
83.08619	5.0
85.10181	9.7
93.07008	0.5
95.08607	9.5
95.93403	0.4
97.10160	2.8
109.10159	6.1
111.11705	0.6
113.00016	70.1
123.11710	2.9
131.01067	0.6
137.13245	0.6
169.02602	100.0
177.22765	0.4
187.03664	2.8
239.23703	0.9
239.36894	0.5
257.24771	0.6
313.27362	54.2
396.22388	0.5
407.25568	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	849.5243
Annotation	Unknow
Peak:m/z	Relative Intensity
62.84141	0.3
67.05505	3.1
69.07061	2.2
71.08633	14.9
81.07063	5.5
83.08632	5.1
85.10179	10.0
86.25621	0.4
88.72131	0.3
89.06034	0.5
90.38578	0.4
92.20942	0.7
95.08071	0.5
95.08611	9.5
97.10171	3.6
99.11716	0.4
105.06394	0.3
109.10153	4.7
111.11671	0.8
113.00016	70.8
123.11709	2.2
131.01027	0.6
137.13251	0.5
169.02600	100.0
187.03654	2.9
239.23689	1.6
255.38933	0.4
257.24728	1.5
262.23181	0.4
313.27359	50.1
407.25562	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	849.5246
Annotation	Unknow
Peak:m/z	Relative Intensity
60.65776	0.5
66.29055	0.6
67.05509	2.9
69.07073	3.2
71.08640	14.6
81.07076	5.6
81.96642	0.5
83.08620	6.6
85.10188	10.5
95.08619	11.5
96.55550	0.6
97.10191	2.9
109.10181	4.8
113.00023	73.8
123.11713	1.2
128.74510	0.6
137.13307	0.8
169.02611	100.0
187.03738	2.2
218.87602	0.6
239.23691	1.1
257.24728	1.0
313.23590	1.1
313.27359	51.0
407.25583	66.7
755.92548	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	850.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03952	3.5
69.03411	4.4
77.13696	2.1
81.03414	9.1
85.02895	16.7
87.00822	7.2
93.03401	4.5
97.02895	4.2
103.03954	4.1
105.01878	2.1
105.07019	2.0
109.02876	8.5
110.03682	9.9
111.04437	30.5
111.22921	1.9
118.35938	1.8
121.02892	14.1
125.06004	18.2
126.71513	1.7
127.03883	8.0
129.01881	2.7
131.04955	7.3
133.02852	11.2
133.06425	2.4
137.05995	13.8
145.06496	2.5
147.04410	2.1
149.06012	4.0
151.03918	6.9
151.07582	3.4
153.05467	100.0
153.06731	3.4
159.08031	3.7
161.05962	7.1
163.07533	11.1
165.05508	2.8
167.07042	20.1
175.07516	10.1
177.05444	3.0
187.07550	11.3
191.07028	26.5
191.08572	2.9
197.05966	2.8
199.07639	2.8
203.07022	4.4
217.08577	2.2
229.08568	7.2
233.07977	2.8
236.08292	2.8
247.07443	3.7
247.09683	15.6
249.08954	2.4
251.10634	12.2
253.08633	7.9
254.09370	3.9
257.07990	2.8
261.08847	2.6
264.07739	7.0
265.08411	2.0
269.11612	12.6
276.07965	3.4
279.10126	7.6
281.11688	2.5
282.08948	4.1
297.11096	15.3
307.09625	17.9
308.10458	2.3
309.11066	2.8
311.12665	8.5
324.10037	2.6
324.13550	2.7
325.10706	61.8
325.14407	2.9
326.11310	2.8
327.12335	1.8
329.13791	3.9
337.10562	2.9
339.12292	60.7
341.13782	17.4
351.12573	6.1
357.13342	54.6
369.13486	23.1
371.14859	4.2
374.58490	1.9
379.10260	8.6
387.14307	31.0
434.42224	2.0
489.18692	8.5
635.19598	3.7
685.31818	2.1
735.65863	2.3
767.24921	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	850.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03949	8.6
66.06916	0.7
68.99804	0.9
69.03419	6.0
81.03414	7.0
82.04217	0.9
85.02912	18.2
87.00835	5.9
91.05469	1.5
93.03407	8.2
97.02891	7.1
99.04443	3.6
103.03947	3.6
105.01884	2.0
107.04940	3.2
108.16431	0.8
109.02886	9.1
110.03669	11.3
111.04442	23.2
116.73403	0.8
119.04936	1.2
119.26369	0.7
119.74638	0.8
121.02868	12.0
121.06518	0.8
123.04437	0.9
125.05994	19.2
127.03931	7.5
129.01828	1.2
129.07027	1.0
131.04942	6.9
133.02852	11.0
133.06499	3.5
137.05960	12.3
145.04955	1.1
145.06474	1.3
147.02899	1.0
147.04420	4.5
147.08061	0.9
149.05971	4.8
151.03909	1.5
151.07547	5.2
153.05466	100.0
159.03044	1.3
159.04408	1.7
159.08022	7.8
161.05978	5.8
163.07513	12.3
165.05556	1.3
167.07013	17.0
169.06467	1.7
173.05966	1.6
174.06700	0.8
175.07539	10.0
177.05461	4.1
179.07037	1.3
181.05035	1.7
185.05989	1.2
186.06862	1.3
187.07556	10.2
189.03934	1.8
189.05452	1.6
191.07018	22.7
191.08661	1.5
199.07574	4.7
201.09137	1.8
203.07076	5.9
205.08585	1.5
215.07053	3.9
216.07829	5.5
217.08636	1.5
219.08125	1.2
220.08977	1.2
223.07567	1.9
225.09087	1.2
226.06270	0.9
229.08623	9.1
233.06015	1.0
233.08066	5.1
235.07368	1.1
236.08257	2.0
237.09140	1.6
239.07079	1.2
239.10706	1.1
240.07806	1.0
247.07437	3.8
247.09685	15.6
248.08269	1.7
249.09093	3.9
251.07127	1.0
251.08185	1.0
251.10690	11.3
253.08624	11.2
254.09396	4.7
257.08130	4.8
261.09009	2.0
263.10626	1.5
264.07837	5.8
265.08591	5.4
266.09424	1.2
267.10165	3.4
269.11664	8.6
275.06750	1.6
276.07870	1.8
277.08633	3.9
278.09369	1.7
279.10101	10.3
280.10947	1.4
281.08173	1.0
281.11649	4.9
282.08820	4.9
289.08557	1.2
291.10217	1.5
292.07458	1.2
294.08914	1.9
295.09628	4.7
296.10434	2.0
297.11200	13.0
305.11813	1.5
307.09631	15.0
308.10379	4.6
309.11133	4.7
311.09384	2.1
311.12775	9.2
316.63293	0.9
319.09637	3.7
321.11234	3.6
323.12650	2.1
324.09967	1.8
324.13666	1.4
325.10675	56.6
326.11475	4.3
327.03870	1.0
327.12207	3.3
327.16412	0.9
329.13867	4.2
337.10611	3.3
337.14276	2.0
339.12262	67.2
341.13788	18.1
351.12320	9.2
353.13757	4.4
357.13303	45.9
367.15060	1.1
369.13391	25.1
371.14862	4.8
379.10309	6.6
387.14380	27.2
423.39716	1.0
454.48544	1.0
471.17877	1.1
487.52866	0.9
489.19131	10.4
501.18848	1.6
519.19904	1.2
531.19714	1.8
549.20795	3.3
555.19147	1.1
587.17242	1.3
660.31110	0.9
719.22974	1.5
724.80481	1.0
737.23633	2.0
767.25732	15.2
790.90509	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	850.312
Annotation	Unknow
Peak:m/z	Relative Intensity
66.80515	1.2
69.03432	3.5
70.74160	1.5
73.53925	1.5
76.31042	1.6
77.16071	1.5
81.03438	2.2
84.08160	1.7
85.02913	21.5
86.09692	1.6
87.00845	8.2
97.02869	7.0
99.04485	2.1
102.39248	1.4
103.03948	2.3
103.05456	7.8
109.02880	9.9
120.92215	1.6
127.03902	5.6
129.01886	3.0
131.04919	28.4
133.02872	2.6
133.06532	2.3
137.05975	59.5
143.04951	1.8
145.04967	2.1
145.06458	2.7
147.04411	3.5
148.05142	2.5
151.03894	50.2
159.04427	3.5
161.05949	3.8
163.07533	34.8
165.05461	3.8
167.07072	9.3
169.06529	5.4
173.05989	10.9
175.07516	19.7
176.04651	2.5
177.05470	8.1
177.09035	2.1
179.07008	6.4
181.05000	19.8
187.07558	9.2
189.09102	3.0
190.06290	2.2
191.07021	100.0
193.08698	1.7
197.06006	3.7
201.09068	3.4
203.07054	18.4
205.08661	12.1
215.07094	3.1
217.08595	10.0
219.10046	1.7
227.06841	2.5
229.08583	10.5
233.08029	18.0
235.09625	10.4
237.09233	1.8
257.08087	10.2
263.09198	6.4
265.10712	10.7
275.08957	2.3
309.11295	2.1
361.09070	3.0
371.14999	9.2
379.10156	20.9
387.14325	44.9
397.11459	3.0
421.36853	1.7
506.36136	1.8
518.72021	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	851.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	0.5
69.03430	11.5
69.07068	1.0
71.04992	3.5
81.07064	2.4
82.39621	0.4
83.08624	1.0
85.02901	2.1
85.06519	1.5
88.94828	0.4
95.08614	1.6
97.02894	100.0
97.10164	2.3
107.08591	6.3
109.10152	5.0
112.80874	0.4
115.03951	0.9
119.08608	2.0
121.10128	0.8
123.11694	2.9
125.09644	6.7
127.11221	2.4
133.10127	1.0
135.11647	0.8
137.13281	0.5
139.03903	27.0
141.12732	4.9
143.09566	0.5
143.10661	11.9
145.10136	0.9
147.11719	2.2
157.04955	7.0
157.10085	0.6
159.11716	1.0
161.13228	0.7
171.11685	1.5
173.13184	0.7
175.14799	0.4
183.11751	0.8
185.13269	1.9
187.14836	1.0
189.50256	0.5
199.06015	8.0
199.14780	1.5
207.11847	0.5
215.17812	0.5
217.07068	15.3
217.09047	0.8
223.14890	0.5
225.16406	0.7
237.16277	0.9
239.17883	0.6
251.17972	0.7
253.19406	0.9
279.21069	1.9
297.22180	3.4
346.33481	0.4
411.92578	0.5
419.33109	4.5
437.34210	8.0
455.35565	3.3
477.03488	0.4
653.40442	1.7
671.41400	1.1
833.46179	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	851.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
62.11670	1.5
63.16754	1.6
65.13284	1.3
65.62976	1.4
67.05486	2.6
69.03432	23.9
69.07082	2.9
71.04989	17.1
71.69678	1.9
73.02939	3.2
73.06533	1.5
73.85821	1.3
75.82129	1.7
81.07067	7.4
83.08602	3.6
85.02906	64.9
85.06544	10.8
92.08413	1.6
93.07050	1.9
95.08608	7.9
97.02891	100.0
97.10166	3.8
105.07047	1.6
105.33926	1.6
107.08593	24.3
109.10163	21.3
115.03925	59.5
115.04687	3.1
116.62785	1.6
119.08603	6.5
121.10149	2.9
123.11707	9.4
125.09622	34.2
127.03919	10.8
127.11201	6.2
131.08519	3.0
133.10114	5.9
135.11700	2.4
141.12749	9.3
143.08609	2.2
143.10669	56.3
145.10115	2.7
147.11691	9.7
150.55138	1.6
157.04950	84.1
157.10132	2.9
159.11664	2.8
161.13263	2.2
171.11638	2.2
173.13298	3.6
175.14766	2.7
183.11626	1.7
185.13280	7.6
187.14810	3.6
195.11581	1.7
197.13252	2.1
199.14838	2.9
201.16367	2.9
217.07065	36.9
225.16396	1.9
235.14691	1.6
237.16399	3.4
239.17946	2.1
253.19635	2.6
279.20999	1.9
297.22092	2.5
400.08087	1.6
419.32895	16.2
437.34061	28.4
455.35110	12.6
470.65738	1.7
473.36154	2.3
653.40399	3.3
671.40985	8.6
833.47455	2.1
851.48682	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	855.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	2.4
69.03443	2.2
69.07072	0.2
71.63952	0.1
76.36690	0.1
79.05518	1.8
81.03419	2.1
81.07069	2.6
83.00568	0.1
83.05016	0.2
83.08616	0.2
85.02927	1.4
87.04465	0.9
91.05466	1.1
93.07050	2.7
95.04964	0.4
95.08597	2.4
97.02895	1.6
105.07020	1.2
107.08605	1.5
109.02876	0.4
109.10167	0.9
111.04453	0.2
115.03918	0.2
117.06985	0.6
119.08576	1.2
121.02850	0.2
121.10135	1.3
123.11713	0.2
127.03914	0.3
129.07037	0.2
131.08569	1.0
133.10155	0.8
135.11685	1.0
143.08562	0.2
144.53384	0.1
145.10130	0.7
147.11682	0.4
147.31581	0.2
149.13342	0.3
159.11678	0.8
161.13200	0.3
171.11613	0.2
173.13274	0.3
180.30223	0.2
185.13289	0.2
187.14867	0.2
200.82384	0.2
214.38045	0.2
221.15358	0.2
230.09259	0.2
259.90594	0.2
261.22223	0.3
286.04718	0.3
301.07071	100.0
303.64404	0.2
313.06967	0.2
343.08026	0.7
369.24203	0.3
375.58566	0.2
387.25140	0.7
405.26294	0.7
423.27301	0.4
450.94833	0.2
723.34448	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	856.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02938	32.8
64.07865	1.1
64.93583	1.2
67.05180	1.7
67.05514	27.0
69.03441	3.0
69.07081	5.6
71.04983	1.4
73.02933	12.5
76.54229	1.2
79.05495	18.9
81.03415	5.8
81.07066	38.9
83.08631	5.3
85.02473	1.9
85.02909	53.5
91.03958	53.1
91.05484	9.8
93.07050	27.0
95.08617	32.5
97.02901	24.2
97.10105	1.3
99.04462	2.0
99.08100	1.3
105.07040	6.6
107.08612	22.9
109.02887	1.6
109.10168	20.9
111.08026	1.8
115.03905	1.5
117.07007	5.4
119.08601	10.6
121.10141	28.3
123.11705	10.5
127.03925	18.4
129.03404	1.1
131.08553	9.9
133.10158	9.7
133.32916	1.1
135.11714	21.8
137.09558	1.5
137.13197	1.8
145.04977	26.6
145.10129	11.8
147.11676	8.7
149.13260	16.9
152.17575	1.1
156.02016	1.5
159.11694	15.4
161.13242	10.9
163.06012	34.0
163.14767	9.7
173.13297	11.2
175.14851	2.7
177.16411	2.0
184.00319	1.3
187.14804	9.1
201.16405	3.1
243.21046	15.4
255.10712	4.8
261.22122	53.3
325.11227	16.9
335.25735	13.2
353.26846	100.0
369.24203	5.8
387.25189	2.7
405.26440	11.0
423.27417	8.4
442.10999	1.5
497.31171	7.4
567.31293	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	856.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02638	1.6
61.02930	30.4
61.10197	1.0
67.05512	24.6
69.03431	5.3
69.07070	2.8
71.05002	2.1
72.88407	1.2
73.02915	15.5
79.05497	11.4
81.03413	1.7
81.07063	33.5
82.93216	1.1
83.08627	4.2
85.02911	55.8
90.37888	1.1
91.03959	64.2
91.05473	6.1
93.07053	20.6
95.04915	1.1
95.08603	29.0
96.58080	1.2
97.02900	27.6
97.10187	2.3
99.04462	4.5
101.37428	1.0
103.03912	1.2
103.04628	1.1
105.07030	7.3
107.08605	20.0
109.02876	1.5
109.10179	22.6
109.68186	1.3
111.08038	1.2
115.03963	2.6
117.07021	2.8
119.08547	8.3
119.53181	1.1
121.10148	23.9
123.11718	11.4
127.03905	16.6
131.08577	9.7
133.10115	6.9
135.11693	21.9
137.09622	1.4
137.13298	4.7
145.04959	31.4
145.10095	10.0
147.11688	10.4
149.13254	16.6
157.07620	1.1
159.11754	11.0
161.13269	7.9
163.06015	42.5
163.14870	11.5
164.93329	1.1
173.13261	9.8
175.14868	2.6
187.14854	5.8
201.16365	1.6
205.15965	1.3
233.22737	1.4
243.21075	19.3
261.22156	59.2
306.34717	1.1
325.11349	17.8
335.25800	13.2
353.26849	100.0
497.31082	4.9
515.32172	1.4
585.06482	1.5
633.33344	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	856.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
60.16359	1.1
60.16706	1.3
61.02932	41.0
67.05505	28.4
69.03421	2.3
69.07076	5.9
73.02913	13.3
79.05485	14.3
81.03403	1.9
81.07054	37.1
83.08620	5.5
85.02908	68.1
85.06562	1.7
91.03955	75.3
91.05480	9.7
93.07043	22.4
95.08610	37.2
97.02899	33.8
97.06561	1.3
97.10161	2.5
99.04447	2.4
101.27507	1.5
103.03947	1.6
105.07029	5.6
107.08604	19.9
109.02886	2.7
109.10156	25.2
115.01643	1.2
116.24399	1.3
117.07016	2.7
119.08587	10.3
121.10136	27.3
123.11693	9.0
127.03905	21.2
131.08565	8.7
133.10104	12.0
135.11702	20.9
137.13257	4.9
145.04945	31.4
145.10115	8.8
147.11728	9.3
149.13226	15.4
159.11728	10.2
161.13199	9.9
163.06009	46.6
163.14848	11.0
165.12750	1.5
166.64055	1.2
173.13251	12.8
175.14818	1.5
177.16327	2.0
187.14856	6.6
201.16449	1.3
209.99826	1.2
237.65582	1.4
243.21062	18.1
252.91219	1.3
258.89880	1.5
261.22125	53.9
264.37177	1.3
279.23157	2.0
325.11331	15.4
335.25772	22.8
353.26852	100.0
497.30951	14.0
515.32208	1.4
720.97992	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	856.5776
Annotation	Unknow
Peak:m/z	Relative Intensity
65.85201	3.4
67.05515	72.9
67.66662	2.9
69.07072	18.9
69.55221	2.8
71.04996	13.2
79.05123	4.2
79.05501	51.0
81.03441	4.1
81.07066	92.5
83.04990	5.0
83.08611	23.6
91.05482	34.9
93.07051	79.1
95.04967	3.7
95.08609	67.8
97.02869	3.6
97.06529	6.3
97.10126	3.3
105.07038	36.4
107.08598	44.0
109.06474	4.9
109.10153	35.4
111.08100	4.1
117.07026	16.8
117.13242	3.2
119.08581	34.9
121.06648	3.0
121.10146	45.3
123.11743	12.5
130.26524	3.4
131.08597	28.4
133.10123	40.4
135.08092	3.5
135.11702	26.8
143.08606	3.5
145.10159	17.9
147.11703	15.7
148.63522	3.1
149.09604	5.4
149.13264	19.3
157.10049	5.3
159.11696	19.1
161.13272	4.6
163.11203	4.9
163.14777	3.6
169.10214	3.9
171.11765	7.5
173.13213	6.7
185.13208	14.7
199.14874	5.9
219.17482	4.5
229.14380	4.3
261.21979	5.6
275.20187	6.7
297.97928	3.2
321.63968	3.5
333.24384	4.1
335.25781	47.7
349.23691	17.7
415.26767	3.3
453.24921	5.8
529.38885	44.8
555.40009	4.4
569.41974	100.0
580.20026	3.8
609.45325	44.1
613.48944	6.4
627.46014	13.1
641.47980	5.5
644.98065	4.0
713.46790	24.3
803.52521	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	857.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.46292	0.1
61.02938	0.2
62.54427	0.1
65.03928	0.2
68.99800	0.1
69.03429	2.1
71.04987	0.5
73.02915	0.5
81.03426	4.6
85.02911	3.3
87.00828	1.5
91.05484	2.9
93.62218	0.1
97.02895	1.5
98.14561	0.1
99.04453	1.1
105.01868	0.6
109.02879	2.7
113.63150	0.1
117.01839	0.2
119.04943	11.4
127.03915	2.7
137.31300	0.1
145.04942	0.4
147.04410	100.0
159.02911	1.0
165.05463	4.0
165.06798	0.2
187.07669	0.1
190.54994	0.1
225.11462	0.1
231.04752	0.2
273.07648	0.1
291.08633	2.4
301.07062	31.3
309.09695	7.1
343.08102	0.2
395.09576	1.0
549.12488	0.8
609.15961	2.8
704.77997	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	857.2128
Annotation	Palargonidin 3-(6''-ferulylglucoside)-5-(6'''-malonylglucoside)
Peak:m/z	Relative Intensity
61.02942	0.1
63.02391	0.1
65.03946	1.6
67.05499	0.9
68.99785	0.1
69.03429	1.5
70.06608	0.1
71.04978	0.3
73.02920	0.3
73.57433	0.1
78.06479	0.1
81.03420	2.0
81.23136	0.1
83.04978	0.3
85.02904	2.3
87.00821	1.1
89.03915	0.8
93.03404	3.3
93.03976	0.2
95.04984	0.1
97.02892	26.2
99.04464	0.6
101.29748	0.1
105.01861	0.7
109.02879	2.8
110.03668	0.4
111.04459	0.5
117.03375	2.7
117.04188	0.1
121.02846	1.4
123.04407	0.2
124.05201	0.3
125.02373	0.5
125.05988	0.5
127.03911	2.7
128.06215	0.2
129.01839	0.4
129.07005	1.1
131.08592	0.1
134.03569	0.1
135.04378	0.3
137.05977	0.2
138.90202	0.1
139.03917	0.5
141.06978	0.5
145.02844	20.1
145.04974	0.5
147.02919	0.1
147.04410	0.2
149.02341	4.6
149.05963	1.2
151.03911	1.1
155.73820	0.1
157.06474	2.6
159.02869	1.2
161.06035	0.1
163.07466	0.1
167.03391	13.0
169.06447	1.1
174.06699	0.1
175.07503	0.3
177.05460	47.3
183.04401	0.1
185.05992	1.3
186.05505	0.4
187.07504	0.3
188.08337	0.4
189.05508	0.6
189.09094	4.4
195.04462	0.5
199.07526	4.0
200.04524	0.1
201.09062	0.1
203.06979	0.1
207.06506	0.7
212.04704	0.1
213.03789	0.1
213.05574	0.6
214.06288	0.1
215.07028	0.8
217.08583	4.1
227.07011	3.7
229.08430	0.1
231.04922	0.3
245.08075	3.3
255.06427	0.4
261.07550	0.1
264.13184	0.1
273.07617	1.0
286.04721	0.4
291.08606	9.7
300.06329	0.1
301.07050	100.0
309.09650	2.9
343.08139	1.5
367.07971	0.1
407.09534	0.1
425.10782	0.5
531.10773	0.1
549.12372	9.2
557.15002	1.1
591.13641	0.1
609.15692	0.3
615.24072	0.1
638.34204	0.1
662.57300	0.1
857.21014	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	857.2126
Annotation	Palargonidin 3-(6''-ferulylglucoside)-5-(6'''-malonylglucoside)
Peak:m/z	Relative Intensity
69.03418	1.2
71.05028	0.2
81.03414	1.7
85.02909	2.2
87.00829	1.0
89.03912	1.1
93.03401	0.2
97.02892	9.0
99.04454	0.4
105.01865	0.4
109.02899	2.4
117.03394	3.4
127.03905	2.2
129.01860	0.3
145.02847	24.1
149.06001	1.7
157.06459	0.3
159.02875	1.2
167.03323	0.7
175.07562	0.3
177.05463	44.2
180.71594	0.3
189.05484	3.2
189.09048	0.4
199.07535	0.3
215.07043	1.1
227.06801	0.3
246.77876	0.3
269.19122	0.3
273.07532	1.7
291.08707	1.2
301.07053	100.0
309.09537	0.3
336.13901	0.3
343.08044	0.5
350.70279	0.3
549.12317	9.9
549.88055	0.3
557.14856	0.5
609.15814	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	857.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02907	0.4
64.77595	0.1
64.88042	0.1
68.99769	0.1
69.03432	2.4
71.04997	3.8
73.02876	0.6
75.04453	0.1
78.63902	0.1
81.03421	3.3
83.04964	0.5
85.02908	10.7
87.00830	1.9
87.04423	0.2
97.02888	2.2
99.04459	1.1
100.01144	0.1
105.01864	1.8
108.58247	0.1
109.02200	0.2
109.02883	3.7
111.04432	0.2
117.01831	0.3
120.03971	0.1
127.03917	4.5
129.01790	0.2
129.05450	1.0
135.04454	0.1
145.04974	1.3
159.02890	1.6
189.04019	0.2
213.03876	0.2
231.04965	1.1
237.07510	0.2
249.06003	0.5
286.04327	0.1
301.07053	100.0
343.08054	0.7
360.30057	0.1
447.12741	0.1
463.12335	27.3
483.30911	0.2
549.12286	1.8
609.18091	1.1
711.17676	7.2
774.68414	0.1
870.21783	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	858.52
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02945	29.7
65.65184	2.4
67.05518	21.6
69.03429	5.1
69.07061	14.4
73.02911	13.2
79.05491	4.7
81.07059	32.7
83.08620	5.5
85.02898	84.3
91.03954	45.7
92.06661	2.7
92.21165	4.0
93.07049	15.4
95.08616	43.8
97.02872	31.4
97.10157	3.8
105.07017	26.9
106.13856	3.1
107.08592	38.5
109.02902	6.7
109.10158	84.8
119.08585	42.7
121.10162	27.8
123.11710	19.1
125.09657	5.0
127.03934	25.5
131.08575	17.5
133.10143	22.6
135.11713	17.3
145.04948	29.7
145.10104	36.7
147.11679	31.0
149.13222	13.8
157.10109	14.1
159.11707	36.0
161.13268	42.9
163.06001	43.2
163.14827	15.3
169.10129	5.2
171.11707	19.4
173.13284	32.8
175.14812	22.9
177.16397	4.8
183.11679	4.0
185.13243	19.5
187.14842	27.6
189.16356	11.5
197.13266	5.1
199.14856	17.6
201.16339	29.6
203.17952	7.2
211.14801	6.1
213.16409	6.6
215.18008	13.0
224.28694	3.2
225.16467	3.9
227.17949	6.6
237.16443	5.1
239.17935	4.1
241.19453	3.5
243.21190	4.9
253.19545	4.3
255.21053	4.8
267.21091	18.9
281.22549	4.6
293.22577	5.8
295.24188	6.8
325.11356	23.8
347.27310	5.8
361.29141	4.0
393.34274	3.7
403.33606	77.2
421.34625	100.0
463.35800	48.8
481.36902	55.5
565.38867	4.7
583.39618	25.2
643.41595	7.1
745.44800	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	858.5203
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	14.4
61.41430	3.1
67.05505	21.5
69.07064	17.8
71.12321	3.3
74.03607	3.2
77.82445	3.8
79.05494	5.0
81.07055	26.6
83.08625	6.6
84.74309	3.0
85.02909	77.1
91.03954	21.4
92.21214	5.1
93.07029	15.1
95.08609	45.6
97.02892	22.0
105.07009	25.0
107.08600	38.6
109.10164	90.8
117.06947	3.6
119.08590	40.1
121.10164	28.4
123.11680	5.3
127.03909	26.1
131.08548	14.9
133.10138	21.1
135.11702	19.5
139.94907	3.8
145.04977	28.6
145.10120	51.1
147.11684	29.9
149.13246	8.8
155.08546	4.6
157.10126	16.1
159.11699	35.3
160.75201	3.8
161.13240	35.3
163.06020	22.7
163.14864	6.2
169.10071	3.8
171.11722	16.3
173.13298	37.1
175.14842	21.2
178.14149	4.2
183.11717	7.1
185.13242	17.2
187.14819	20.5
189.16422	7.4
197.13246	7.1
199.14862	15.6
201.16386	29.7
203.17944	5.5
213.16425	7.6
215.17888	8.3
225.16287	7.8
227.17935	16.1
243.21091	6.5
251.18045	4.2
253.19547	4.6
259.20551	6.3
267.21088	14.8
280.63654	4.3
281.22556	4.7
293.22665	3.9
295.24234	3.9
325.11313	23.3
347.27341	7.1
390.99442	4.2
403.33591	58.9
421.34604	100.0
432.18832	3.7
463.35434	39.3
481.36801	49.5
583.39886	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	860.6661
Annotation	Unknow
Peak:m/z	Relative Intensity
62.09630	5.6
71.08636	38.2
83.08597	6.5
85.10192	13.6
87.04449	10.2
89.06029	99.2
97.02766	6.0
133.08629	28.8
142.45996	6.0
173.02219	5.6
193.87582	5.5
229.04491	5.8
248.70914	6.0
252.71359	7.3
341.34378	11.1
521.19409	6.6
843.63422	36.1
849.08606	7.3
860.66846	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
64.78096	1.7
67.05501	12.7
69.03436	23.9
69.07075	16.5
73.02934	3.8
77.84424	1.6
79.05492	7.7
81.03423	19.2
81.07048	18.6
83.08627	3.1
85.02915	45.1
85.38203	2.4
87.00826	10.2
91.05495	4.0
93.07052	15.9
95.08604	39.0
97.02907	19.9
99.04445	8.7
105.01885	8.3
105.07030	13.1
107.08604	26.0
107.19855	2.1
109.02882	23.6
109.06494	2.2
109.10153	47.3
111.35393	2.0
119.08574	19.8
121.10138	22.3
122.04491	1.9
123.11694	3.2
127.03915	31.4
129.01863	2.5
131.08545	9.4
133.10100	16.9
135.11688	7.7
137.09514	2.4
143.08537	8.3
145.04967	8.7
145.10123	14.5
147.11673	13.8
149.13235	2.6
155.08502	4.3
157.10135	13.0
158.10985	2.4
159.02890	10.9
159.11708	15.8
161.13246	12.0
167.08647	2.5
169.10126	11.7
171.11649	16.8
173.13284	10.6
175.14830	3.1
181.10103	3.8
183.11786	16.7
185.13237	15.2
187.14801	4.0
195.11694	11.4
197.13260	12.6
199.14822	4.7
201.16408	8.3
207.11621	3.2
209.13217	13.6
211.14799	10.7
213.16338	4.7
221.13217	4.1
223.14816	13.4
225.16368	12.5
227.17905	10.9
235.14777	4.5
237.16336	19.4
239.17955	12.2
241.19553	2.4
249.16388	8.1
251.17923	17.8
252.18623	3.2
253.19479	21.1
259.80997	2.3
263.17926	4.5
265.19522	8.9
267.21103	9.7
269.19101	2.1
275.17911	3.0
277.19449	11.7
279.21176	3.3
291.21048	9.6
292.21899	11.9
293.22513	10.9
301.07040	26.2
309.22037	2.3
345.25681	2.7
401.31976	38.6
402.77426	2.2
419.33078	78.7
437.34116	34.3
455.35117	7.8
581.38129	12.9
599.39191	11.5
667.38275	44.9
685.39423	100.0
703.40320	29.7
847.43890	12.7
865.29248	2.2
865.46051	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	865.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	2.7
67.05505	15.6
69.03429	26.0
69.07072	15.5
71.05004	4.2
71.73435	2.2
73.02930	2.7
79.05501	3.3
81.03421	21.4
81.07058	26.0
83.08605	4.7
85.02909	52.8
87.00831	12.0
91.05476	3.5
93.07040	14.1
95.04974	2.6
95.08605	44.3
97.02885	16.3
99.04456	10.5
105.01868	13.1
105.07010	13.1
107.08597	26.5
109.02880	16.9
109.10165	53.7
112.81982	2.3
117.07053	3.5
119.08572	27.7
121.10156	27.5
123.11720	10.5
125.09672	2.5
127.03905	43.6
131.08568	9.0
133.10115	18.9
135.11710	10.1
143.08565	8.9
145.04935	9.4
145.10117	25.2
147.11705	19.4
149.13248	8.3
155.08546	3.1
157.10138	15.5
159.02861	11.2
159.11684	15.5
161.13222	19.2
169.10071	12.5
171.11650	19.0
173.13237	12.3
175.11209	2.6
175.14755	11.0
181.10101	2.5
183.11766	18.1
185.13278	17.6
187.14871	16.3
189.16431	3.7
195.11731	9.6
197.13243	13.1
199.14830	10.4
201.16388	5.1
203.14139	3.2
203.20076	2.1
206.10959	2.8
206.93021	2.5
207.11662	4.2
209.13292	13.0
211.14809	10.7
213.16374	10.8
215.17844	2.8
221.13286	3.5
223.14876	9.2
225.16388	11.3
227.17934	12.3
231.17262	2.7
235.14656	8.1
237.16339	13.9
239.17934	9.8
241.19493	5.4
249.16403	5.2
251.17899	10.8
253.19572	17.6
257.19113	2.4
261.16394	2.8
263.17999	3.7
265.19449	12.5
267.21152	4.7
269.18994	2.7
277.19492	2.8
279.21158	3.7
289.19550	2.8
291.21063	11.8
292.21875	11.4
293.22559	8.7
297.22141	2.6
309.22107	2.5
317.22675	4.8
324.03903	2.4
363.27148	2.7
401.31989	36.2
419.33066	83.9
437.34076	54.4
455.35318	7.9
581.38141	14.2
599.39526	20.9
648.71716	2.4
667.38385	39.7
685.39392	100.0
703.40588	26.4
847.44080	14.1
865.46051	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	865.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	17.0
69.03431	23.2
69.07076	19.1
70.06588	2.3
71.04990	2.7
73.02900	3.2
75.59982	1.8
81.03424	19.5
81.07071	20.7
85.02909	30.5
87.00826	10.6
91.05476	3.6
92.20930	2.8
92.21469	3.7
93.07048	18.4
95.08611	39.8
97.02895	18.3
97.10175	2.7
99.04457	10.7
105.01879	7.7
105.07036	14.8
107.08604	28.4
109.02891	23.2
109.10156	54.6
111.04272	2.0
119.08598	25.7
121.10161	23.6
123.11701	8.4
127.03910	38.2
129.07010	2.4
131.08580	4.6
133.10132	21.3
135.11697	8.9
141.06955	1.8
143.08586	7.5
145.04953	8.5
145.10130	20.7
147.11700	19.2
149.13242	13.4
155.08571	4.3
157.10164	17.4
159.02870	11.5
159.11711	20.5
161.13234	12.1
163.14801	2.5
169.10104	11.3
171.11671	18.5
173.13280	17.8
175.14812	7.5
177.16341	1.9
181.10118	3.2
183.11693	20.0
185.13301	18.0
187.14778	7.9
193.10190	2.1
195.11691	7.6
195.35912	1.7
197.13295	14.5
199.14882	11.7
201.16393	7.2
207.11771	3.5
209.13258	13.2
211.14816	14.0
213.16417	11.1
215.17926	2.1
217.15869	2.0
221.13251	4.2
222.13988	2.1
222.47269	1.8
223.14781	11.8
225.16383	13.8
227.17868	11.0
233.13258	2.9
235.14980	5.7
237.16364	13.8
239.17918	11.1
240.18793	1.9
241.19484	4.3
247.14903	2.1
249.16470	8.2
251.17908	15.5
253.19540	19.9
254.20328	2.0
263.18036	6.6
265.19537	9.3
267.21072	10.7
269.19077	3.0
271.20575	2.6
275.17969	7.6
277.19550	7.8
279.21115	8.6
289.19519	2.3
290.20459	3.1
291.21039	11.9
292.21887	8.6
293.22693	10.7
305.22571	2.7
309.22183	2.5
319.24164	6.7
345.25626	3.4
401.31937	54.6
419.33096	96.6
437.34125	47.5
455.35242	9.2
581.38239	9.9
599.39130	11.0
617.41437	5.7
649.36682	4.3
667.38379	49.3
685.39484	100.0
685.51270	3.7
703.40643	23.0
788.33606	2.0
829.43005	3.8
845.34393	2.6
847.44739	17.1
865.46088	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	867.4716
Annotation	Kabiramide K
Peak:m/z	Relative Intensity
61.63345	1.6
67.05507	18.4
69.03427	14.5
69.07059	9.2
70.94695	1.8
71.04985	3.3
79.05497	4.0
79.85941	1.8
81.03420	11.2
81.07069	26.4
83.08630	4.9
85.02904	33.1
87.00803	15.5
91.05453	2.3
93.07044	18.5
95.08610	50.4
97.02895	14.5
97.10146	2.5
99.04449	5.0
105.01840	17.9
105.07047	19.3
107.08611	28.3
109.02885	13.5
109.10158	73.3
119.08575	30.7
121.10150	23.4
123.11685	11.6
127.03908	25.1
127.11176	7.5
131.08557	12.9
133.10112	15.8
135.11697	16.7
143.08501	7.8
145.04982	9.7
145.10117	32.1
147.11655	24.0
149.13286	14.0
149.21826	2.2
155.08606	3.6
157.10104	13.9
159.02879	4.7
159.11693	22.6
161.13222	20.1
163.14850	9.0
169.10059	8.4
171.11682	22.8
173.13237	20.7
175.14790	13.3
177.16388	4.5
181.10130	2.4
183.11674	13.8
185.13217	19.5
187.14827	17.6
189.16328	12.0
195.11719	3.2
197.13226	10.6
199.14850	11.6
201.16451	17.6
203.17935	4.9
211.14865	12.3
213.16368	12.5
215.17950	8.1
223.14912	2.9
225.16281	14.3
227.17937	10.4
229.19550	2.9
231.04895	3.5
237.16415	4.4
239.17932	9.7
241.19604	8.9
243.21080	4.0
245.19014	2.9
249.05852	2.3
251.17903	7.9
253.19435	13.9
265.19443	4.8
267.21017	19.6
269.22626	3.6
279.21112	4.4
281.22491	3.7
283.24124	2.4
291.21024	2.4
293.22614	8.1
295.24139	7.4
301.06970	4.2
302.07495	3.1
335.27399	2.9
347.27264	8.1
365.28287	3.4
403.33612	65.8
421.28940	3.9
421.34619	100.0
439.35782	20.9
566.23322	2.2
583.39246	7.2
633.37146	2.4
638.14844	2.2
651.38898	9.5
669.21735	2.6
669.39972	58.2
687.40930	25.3
782.68512	2.2
802.66235	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	869.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
62.45104	1.6
67.05488	1.4
69.03432	21.0
71.04997	15.8
73.02929	1.8
73.06566	2.9
77.96284	1.5
81.07080	6.3
82.48099	1.7
83.08615	2.8
85.02911	48.5
85.06548	10.8
95.08604	3.8
97.02892	100.0
97.10176	10.4
105.06993	2.5
107.08595	22.1
109.10148	15.1
111.43290	1.9
113.60749	1.7
115.03930	64.6
117.72438	2.2
119.08564	2.4
121.10113	4.0
123.11696	2.4
125.09642	35.4
127.03926	4.3
127.11202	8.1
143.08817	1.7
143.10683	59.2
147.11662	2.3
157.04967	90.3
157.10139	2.4
157.20125	2.0
159.11578	2.6
173.13232	3.8
185.13310	8.6
199.14912	2.3
208.69728	2.4
217.07082	41.5
253.19569	2.9
292.21567	1.8
324.10892	1.8
419.33002	7.5
437.33997	19.7
455.34796	7.7
671.41400	3.1
747.25287	2.1
869.54547	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	872.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	6.1
67.05505	7.4
69.03429	1.0
69.07066	3.5
71.32598	0.7
73.02911	0.7
79.05521	2.2
79.78429	0.6
79.79485	0.6
81.07057	9.4
83.04966	0.8
83.08621	0.8
85.02908	12.5
91.03945	9.9
91.05496	1.1
93.07024	4.2
95.08604	13.6
97.02889	4.6
105.07027	6.7
107.08594	11.6
107.40215	0.6
109.06522	0.7
109.10155	34.0
119.05000	0.9
119.08572	14.8
121.10148	6.9
123.08117	1.3
123.11730	2.9
125.09598	0.9
127.03928	3.6
131.08549	7.2
133.06482	7.0
133.10126	7.5
135.04413	3.9
135.08057	3.8
135.11699	3.1
137.13217	0.7
143.08597	1.6
145.04967	2.8
145.10126	17.6
147.11702	7.6
149.05974	7.5
149.09625	1.2
149.13261	5.9
151.07497	1.2
155.08508	0.8
157.10104	3.7
159.08047	4.3
159.11690	9.1
161.09647	0.9
161.13231	6.9
163.06015	3.4
163.07465	1.2
163.11185	1.5
169.10094	3.1
171.11650	5.1
173.09622	4.7
173.13274	6.6
175.11163	8.0
175.14873	7.0
177.09032	1.0
177.12781	0.8
177.16364	0.9
183.11667	1.6
185.13277	3.3
187.14807	32.7
189.12733	1.2
189.16399	1.4
195.11772	1.0
197.13228	3.3
199.11201	1.0
199.14835	4.7
201.12646	1.0
201.16275	4.9
203.14330	0.8
205.15927	1.2
209.13197	1.2
211.14903	2.7
211.29460	0.7
213.12781	1.2
213.16351	2.7
215.14308	23.8
215.17648	0.8
223.14873	1.7
225.16339	4.1
227.14259	1.0
227.17938	1.2
229.15810	1.4
233.15323	15.4
235.14775	0.8
237.16246	1.5
239.17941	1.6
241.15770	1.7
243.17450	0.9
247.16852	0.9
249.16277	0.8
251.18073	1.1
255.17336	0.9
261.04138	0.7
263.18054	1.1
267.17383	1.4
267.21039	0.8
269.18967	1.2
335.23557	1.4
359.27243	1.2
377.28336	3.4
399.30249	1.6
417.31451	11.7
421.27283	0.8
435.32593	17.4
437.30432	4.0
459.32516	1.0
477.33627	26.7
495.34674	100.0
513.35522	3.2
597.37988	1.4
639.39124	3.5
657.39545	3.4
675.40485	4.1
872.50092	6.9
899.72516	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	872.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
63.15644	0.7
67.05511	7.0
68.08347	0.6
68.74261	0.6
69.03444	1.1
69.07072	3.9
71.14772	0.7
79.05501	1.6
81.07067	10.4
83.04982	1.5
83.08601	0.9
85.02908	11.5
91.05464	1.1
92.21247	2.8
93.07042	5.6
95.08608	17.3
97.02894	3.0
97.10193	0.8
99.04464	0.7
99.08098	1.7
105.07019	6.3
107.08601	11.4
109.02856	0.9
109.06467	0.8
109.10157	39.4
117.73554	0.7
119.08590	15.2
121.06547	1.4
121.10146	7.9
123.08100	1.1
123.11723	1.4
125.09644	0.9
127.03908	3.7
131.08566	10.0
133.06506	5.2
133.10144	10.4
135.04408	5.5
135.08057	3.3
135.11696	3.2
137.09590	1.2
143.08597	1.5
145.04961	3.1
145.10124	21.0
147.07996	0.9
147.11700	8.7
149.05991	14.3
149.09628	1.4
149.13306	3.5
151.07571	1.0
151.14911	0.9
157.10141	5.6
159.08072	3.7
159.11739	8.7
161.09608	1.4
161.13263	6.9
163.07478	0.9
169.10112	3.9
171.11671	7.2
173.09590	4.4
173.13277	6.5
175.11160	10.2
175.14796	8.2
177.12766	0.8
177.16397	1.1
183.11732	2.7
185.13239	6.6
187.11192	1.2
187.14819	33.1
189.16309	1.6
197.13283	2.9
199.11240	0.8
199.14891	6.3
201.16388	4.3
203.17934	0.8
205.15935	1.3
211.14757	1.7
213.12799	1.1
213.16399	1.7
215.14313	26.5
221.13275	0.9
223.14684	1.2
225.16313	2.6
227.17894	1.5
228.27101	0.7
229.15858	1.8
231.17474	1.1
233.15372	14.4
237.16406	2.8
239.18022	2.9
241.15909	4.0
241.19543	0.9
247.51482	0.8
251.17979	1.3
253.19379	1.1
255.17453	1.3
263.17825	0.8
265.19431	1.0
267.17468	3.0
269.18878	0.9
291.21191	0.9
295.20850	1.1
309.22327	1.0
325.11282	0.9
335.23849	0.9
359.27347	1.0
377.28293	1.6
397.27090	1.4
399.30396	3.1
417.31616	13.0
421.27356	1.2
435.32578	21.1
437.30548	6.9
477.33688	35.6
495.34714	100.0
513.35535	4.8
546.62146	0.8
639.38495	1.0
657.40302	1.2
661.20117	0.8
675.40961	1.3
907.88873	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	873.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	0.5
62.03826	0.2
69.03429	4.0
70.06601	2.1
71.04981	0.5
73.02926	0.4
81.03423	6.9
82.83024	0.2
84.08146	1.2
85.02911	7.4
86.09687	1.2
87.00839	2.6
88.88560	0.2
89.03909	1.2
94.81998	0.2
97.02886	3.3
99.04456	1.9
105.01878	1.9
109.02871	7.1
117.01845	0.6
117.03389	4.8
121.02875	0.7
127.03908	5.0
129.01813	0.3
129.10208	1.4
129.46043	0.3
134.03566	0.3
135.04402	0.3
145.02844	36.6
145.04791	1.0
147.04388	0.5
149.05972	2.2
159.02881	1.8
177.05458	100.0
182.09921	0.3
186.64539	0.3
195.06505	1.3
231.04945	0.6
234.55243	0.3
240.01605	0.3
261.07562	0.3
262.89896	0.3
282.83624	0.3
287.05478	77.0
301.07040	18.4
321.09662	3.6
329.06424	1.2
339.10745	9.6
425.10593	2.4
463.12375	2.3
535.11017	2.5
549.11932	0.5
615.11346	0.3
625.05756	0.5
625.15588	12.5
701.18811	0.3
873.20990	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	873.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	1.2
65.21590	0.8
69.03422	1.7
69.57709	0.7
70.06580	0.7
81.03416	1.5
81.83147	0.6
82.75538	0.7
85.02903	4.7
87.00824	1.7
92.20939	1.4
93.03413	6.0
94.48148	0.7
96.02211	0.7
97.02892	39.8
109.02875	3.9
113.34274	0.8
117.03367	3.8
118.94292	0.6
121.02890	1.2
127.03928	3.3
129.06989	1.0
145.02849	34.2
149.02330	7.5
149.05946	1.0
157.06502	5.6
159.02890	1.1
161.86296	0.7
165.01646	0.7
167.03386	21.4
167.04829	1.0
169.06534	1.2
173.58870	0.6
177.05461	76.9
185.06044	1.1
188.08234	0.7
189.05490	1.2
189.09033	5.9
199.07550	5.7
213.05595	1.3
215.07092	1.2
217.08595	7.6
227.07100	5.3
244.80537	0.7
245.07985	6.9
273.07660	1.4
285.04059	1.2
287.05472	4.2
291.08530	14.8
302.04156	4.0
309.09515	5.3
317.06543	100.0
319.08334	0.9
320.08899	1.1
334.10617	3.5
335.10944	1.5
359.07562	2.8
383.50116	0.8
557.15137	3.0
565.11755	10.5
625.14655	1.0
873.31976	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	874.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05512	17.9
67.26777	2.1
69.03421	5.9
69.07066	16.1
69.65079	2.0
71.69761	2.0
79.05469	3.7
81.07054	25.0
83.08617	9.5
85.02905	28.6
89.60749	2.2
91.05485	3.3
92.57882	2.3
93.07040	19.2
95.08603	51.3
97.02871	6.0
97.10171	3.2
105.07036	16.0
107.08597	38.5
109.10146	85.5
117.06981	3.0
119.08559	33.9
121.10142	32.8
123.11674	5.8
127.03931	12.2
131.08569	5.6
133.10078	24.4
135.08040	4.0
135.11745	17.4
143.08560	5.8
145.04977	4.0
145.10126	37.4
147.11693	20.3
149.09564	2.8
149.13248	13.9
157.10104	15.4
159.11642	25.8
161.09671	3.1
161.13248	18.8
163.14726	3.8
169.10109	12.6
171.11644	21.5
173.09631	3.4
173.13246	27.6
175.14774	11.5
181.10040	4.8
183.11684	11.7
185.13235	16.1
187.14792	19.5
188.43509	2.8
189.16374	3.5
192.62732	2.6
195.11780	3.3
197.13213	11.2
199.14803	15.6
201.16397	15.7
203.14236	3.0
207.11703	2.7
209.13176	3.9
211.14844	12.1
213.16353	14.7
215.17906	5.2
217.15834	3.2
221.13058	3.1
223.14757	5.8
225.16417	12.2
227.17923	13.2
235.14854	3.8
237.16357	15.2
239.14365	3.2
239.17953	5.4
241.19463	3.6
251.17920	9.5
253.19540	13.9
263.17953	3.5
265.19583	5.7
269.18851	3.1
277.19449	5.6
279.21225	3.5
291.21069	5.3
292.21930	3.2
293.22699	4.1
311.63669	3.1
317.22495	2.9
325.11148	3.4
337.24887	3.0
345.25580	3.5
361.28778	3.7
363.26639	3.4
401.31949	47.5
419.33038	100.0
437.34229	23.6
461.34177	23.2
479.35257	77.8
497.36246	51.6
581.37921	11.4
599.39423	3.7
641.39990	12.6
659.41876	17.3
761.44513	3.3
788.03473	3.0
803.44965	14.3
821.45990	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	874.515
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	16.6
67.05512	22.8
67.14711	1.8
69.03426	5.3
69.07069	12.8
73.02911	4.3
75.88717	2.2
79.05518	2.4
81.07068	28.0
83.08648	3.7
85.02910	40.6
90.37093	2.1
91.03492	2.5
91.03960	23.4
91.05484	4.7
93.07050	15.7
95.08604	51.6
97.02885	14.4
97.10159	2.6
105.07043	16.0
107.08582	29.6
109.10163	88.8
119.08585	32.2
121.06483	2.8
121.10142	32.5
123.11716	9.9
127.03926	13.7
131.08578	9.4
133.10135	25.2
135.11684	12.7
137.13272	4.0
145.04971	12.0
145.10136	37.3
147.11690	24.9
149.13257	13.6
157.10121	17.2
159.11670	29.3
161.13263	22.5
163.05960	8.3
163.14841	8.8
169.10124	5.8
171.11674	22.6
173.13287	21.1
175.14792	12.8
177.16428	4.5
180.55856	2.9
183.11670	9.9
185.13268	18.8
187.11252	2.6
187.14828	16.2
189.16386	2.7
195.11670	4.7
197.13271	9.7
199.14832	11.5
201.16409	12.6
203.17955	3.0
209.13321	9.5
211.14798	9.8
213.16393	12.2
215.17993	3.4
217.15944	3.3
223.14743	9.9
225.16368	10.6
227.17958	13.8
231.17390	3.6
237.16420	20.6
239.17944	11.7
241.15953	2.7
241.19470	4.7
249.16492	3.3
251.17863	13.1
253.19489	12.8
263.17896	4.6
265.19531	4.7
267.21204	3.0
277.19562	4.8
279.21078	5.5
293.22617	10.4
296.13138	2.4
305.22574	2.7
321.25833	3.1
361.28970	4.0
391.33710	3.7
401.31985	42.0
419.33121	93.3
423.29617	2.9
437.34000	20.0
461.34137	29.1
479.35214	100.0
497.36435	46.5
507.19565	2.5
563.37360	4.5
566.32520	3.2
581.38098	11.5
599.38947	5.6
623.38696	3.0
641.40088	19.9
659.41785	21.2
743.43115	12.2
803.46167	16.7
821.46655	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	874.5153
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	9.6
69.03436	4.6
69.07059	6.7
80.50613	3.8
81.07057	20.9
85.02925	53.1
90.88741	3.7
91.03973	17.4
91.05496	6.1
92.21362	17.9
93.07056	15.5
95.08603	52.8
97.02888	21.8
99.08121	4.3
105.07037	16.8
107.08618	36.1
109.10154	76.7
112.50383	4.0
116.29960	4.8
119.08571	47.9
121.10164	30.4
123.11684	9.6
125.09626	5.4
127.03922	8.4
131.08563	16.6
133.10161	34.4
135.11687	8.1
143.08591	5.1
145.04950	21.2
145.10139	37.3
147.11676	22.9
149.09683	5.7
149.13245	10.5
157.10139	16.2
159.11702	34.1
161.09656	5.0
161.13223	29.1
163.05969	15.7
163.14764	8.4
169.10106	9.5
171.11699	18.8
173.13274	31.8
175.14804	20.5
177.05388	16.1
177.48561	3.9
183.11786	8.9
183.90894	4.1
185.13203	20.2
187.14859	36.3
189.16406	19.1
197.13261	10.5
199.14803	27.4
200.38405	4.6
201.16396	18.8
209.13234	6.4
211.14818	16.3
213.16362	24.8
215.18019	15.2
217.15912	7.5
223.14761	5.6
225.16324	15.2
227.17941	17.3
237.16380	6.5
241.19371	8.3
249.16194	5.3
253.19415	8.1
263.17911	7.5
265.19614	8.8
267.20966	5.3
288.92941	5.4
291.20984	6.1
361.29013	6.0
401.32022	41.8
419.33127	100.0
437.34311	32.0
461.34207	31.7
479.35251	95.7
497.36182	46.2
528.52643	5.3
581.38086	19.0
641.40912	9.5
659.41125	26.7
743.43933	15.7
803.44751	5.6
821.46423	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	877.6183
Annotation	Unknow
Peak:m/z	Relative Intensity
61.67613	2.2
64.94241	2.1
65.03938	2.2
67.05517	28.7
69.03429	5.1
69.07063	17.8
75.37113	2.4
79.05502	18.2
81.03407	4.7
81.07069	36.5
82.81696	2.5
83.08613	4.3
91.05478	15.7
93.07067	38.3
95.08607	45.7
97.02905	4.5
97.10205	3.2
105.07018	27.4
107.08584	39.2
109.10167	47.4
117.07011	3.4
119.08598	41.0
121.10146	36.3
123.11676	6.7
129.07001	2.8
131.08554	17.7
133.10110	29.5
135.11711	18.1
141.06912	2.7
143.08546	16.3
145.10130	28.7
147.11681	32.9
149.13260	18.3
154.57828	2.6
155.08580	4.5
157.10167	23.8
159.11678	32.9
161.13277	16.0
163.14873	5.9
168.53085	3.1
169.10159	10.3
171.11697	23.7
171.48862	2.6
173.13260	29.1
175.14856	12.3
177.12779	4.3
177.16327	2.9
181.10089	5.2
183.11711	11.7
185.13255	18.1
186.20117	2.6
187.14799	18.1
189.16393	11.6
195.11691	5.2
197.13252	11.0
199.14836	10.5
201.16359	14.9
203.17973	4.6
209.13268	10.3
209.57733	3.0
211.14807	3.5
213.16451	13.5
215.17958	4.2
217.15822	12.7
223.14716	5.5
225.16379	9.9
227.17955	11.3
231.17531	20.6
235.14816	5.0
235.16957	12.0
237.16321	11.8
239.17873	5.5
241.19533	4.4
249.16333	4.8
251.17914	4.9
253.19318	6.2
263.18079	4.0
265.19617	3.6
267.20886	3.2
271.20584	4.0
277.19449	3.5
283.20676	4.4
291.21036	5.6
309.21878	4.6
328.00882	3.4
347.27100	2.9
359.38120	3.4
363.26932	3.7
379.30127	3.3
401.31921	18.3
419.33054	86.3
437.34109	100.0
455.35364	24.5
492.00006	2.9
545.36261	3.1
678.63727	3.3
722.57294	3.2
823.58832	4.4
841.59528	18.9
859.60638	44.9
877.62189	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	879.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
88.67056	0.8
91.22545	0.7
97.02885	0.9
145.02890	1.1
177.05528	4.1
199.07291	0.7
227.05373	0.9
287.05472	0.8
313.06635	0.8
322.04404	10.8
323.05136	8.3
331.07870	1.6
363.09195	1.1
475.12079	1.0
493.13495	1.4
535.14508	2.7
579.12994	4.7
624.02979	0.8
658.22833	0.8
835.20251	6.4
879.19562	100.0
879.47491	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	879.47
Annotation	Unknow
Peak:m/z	Relative Intensity
63.57423	0.5
66.46208	0.5
71.65110	0.5
72.63434	0.6
107.08626	0.6
107.42139	0.6
185.04271	0.6
292.14978	0.7
305.08627	1.3
363.08990	29.7
365.10730	3.5
379.35992	0.6
436.77945	0.9
717.41504	1.0
759.49316	0.7
801.44128	1.5
819.45288	5.2
879.47089	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
65.88393	1.6
66.59327	1.5
67.05508	25.5
69.03426	10.3
69.07062	12.1
71.04993	1.7
71.37788	1.7
74.82740	1.6
79.05489	3.7
81.03430	10.1
81.07054	25.5
83.08613	3.8
85.02906	23.1
86.21094	2.0
87.00828	7.7
91.05475	7.3
93.07050	16.4
95.08607	43.4
97.02907	2.5
99.04466	2.4
99.08108	2.0
105.01872	7.4
105.07044	17.5
107.08595	28.7
109.02885	8.0
109.06542	3.3
109.10166	72.7
117.07003	2.5
119.08594	33.8
121.10155	25.2
123.08115	3.2
123.11699	9.7
125.09657	2.5
127.03892	15.4
131.08572	9.8
133.10126	25.5
135.08081	3.6
135.11690	12.0
143.08556	8.5
145.10127	18.0
147.08078	2.5
147.11662	25.0
149.09650	2.1
149.13278	11.5
157.10164	10.1
159.02887	7.6
159.11705	17.8
161.09673	8.9
161.13249	11.1
169.10059	9.2
171.11635	17.7
173.09584	10.5
173.13248	9.7
175.11305	4.2
175.14818	30.6
181.10255	2.4
183.11705	9.2
185.09656	7.3
185.13255	8.5
187.11176	8.3
187.14796	16.7
189.16418	3.3
195.11595	7.6
197.13327	2.7
199.11230	11.4
199.14828	3.5
201.12726	4.0
201.16286	2.7
203.14287	2.5
203.17958	3.1
209.13350	7.8
211.14883	8.2
213.12801	7.7
213.16393	3.2
215.14349	3.7
221.13344	2.5
223.14824	3.7
225.12601	2.2
225.16371	12.4
227.14287	4.2
227.17897	3.3
229.15875	3.6
237.16328	2.3
239.14398	2.7
239.17989	7.1
241.15984	6.7
243.17197	2.0
249.16391	3.5
251.18045	4.5
253.15842	3.5
253.19492	2.5
255.17517	3.0
261.16422	2.4
263.17853	2.2
265.15884	2.1
265.19568	3.1
265.43793	2.0
267.17453	10.8
269.18988	9.4
275.18121	1.9
277.19540	2.5
279.21014	2.3
291.21051	9.0
295.20435	1.9
309.22110	4.0
317.22424	2.4
319.23920	2.6
327.23184	7.4
333.25897	2.7
335.23547	8.3
349.25229	2.6
353.24652	2.5
355.26578	3.1
359.03943	2.1
360.21841	2.0
361.25461	2.8
367.26291	2.1
379.26117	2.9
397.27408	4.4
399.30301	3.3
417.31583	28.9
435.32587	69.9
453.33615	100.0
597.37665	9.8
615.38947	18.8
645.32550	12.4
665.36609	3.5
683.37921	80.0
701.39050	87.9
827.42224	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	881.4506
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07060	5.0
81.07067	11.2
83.86716	4.7
95.08588	18.4
95.49437	4.7
103.50111	5.3
105.07079	6.2
107.08599	7.2
109.10152	34.9
116.45624	5.1
117.06987	4.4
119.08534	6.3
121.10190	5.7
127.03895	7.0
254.52661	5.3
374.09164	5.1
417.31604	6.5
435.32349	6.2
451.41876	5.4
453.33676	21.0
480.41061	5.4
683.37842	23.8
701.39026	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4506
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07060	5.0
81.07067	11.2
83.86716	4.7
95.08588	18.4
95.49437	4.7
103.50111	5.3
105.07079	6.2
107.08599	7.2
109.10152	34.9
116.45624	5.1
117.06987	4.4
119.08534	6.3
121.10190	5.7
127.03895	7.0
254.52661	5.3
374.09164	5.1
417.31604	6.5
435.32349	6.2
451.41876	5.4
453.33676	21.0
480.41061	5.4
683.37842	23.8
701.39026	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
62.32848	1.1
67.05505	12.4
69.07073	8.7
71.08633	18.3
73.02905	1.3
79.05484	1.7
81.07061	39.6
83.04987	4.6
83.08622	9.6
85.02898	7.4
85.06561	1.6
85.10180	12.4
91.03941	7.8
91.05466	5.0
92.22821	1.0
93.06994	3.8
93.46523	1.0
95.08614	17.6
95.09224	1.6
96.64281	1.2
97.02906	4.6
97.06536	2.3
97.10178	2.7
98.36396	1.2
99.04443	1.4
99.08094	1.8
105.07038	16.2
107.08605	7.3
109.06511	2.4
109.10154	7.8
109.45025	1.4
111.92175	1.1
113.06033	1.3
119.08575	12.7
121.10143	12.8
123.08051	1.6
123.11717	24.5
127.07501	2.0
137.13278	6.2
147.11690	79.8
156.80556	1.3
157.10043	2.0
165.12738	34.3
179.47522	1.5
183.13741	2.0
229.14479	1.4
231.96910	1.3
239.23701	2.1
257.24759	1.7
267.15906	60.6
285.13812	2.6
285.16959	72.2
313.27362	64.4
313.30054	1.2
313.31189	1.5
331.28207	1.4
458.23535	1.4
486.89487	1.5
523.39954	100.0
541.40887	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	884.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	22.2
69.03435	14.0
69.07074	18.2
71.04969	2.0
79.05499	4.0
81.03410	9.6
81.07061	40.7
83.08629	4.7
85.02905	10.5
87.00822	8.5
90.10170	1.9
91.05452	8.3
93.07056	27.5
95.08611	51.9
97.02882	15.5
99.04456	11.8
99.08093	2.2
105.01882	3.6
105.07028	19.1
107.08604	39.6
109.02882	27.2
109.06475	2.3
109.10155	93.9
110.44915	2.0
116.51670	1.8
117.07003	2.3
119.08568	40.0
121.06511	2.1
121.10130	36.5
123.08099	3.4
123.11712	16.4
127.02979	4.0
127.03909	90.1
127.18164	1.9
129.01851	2.8
129.06975	3.7
131.08575	12.0
133.10123	36.2
135.08064	7.6
135.11699	19.5
137.13251	8.2
138.86960	1.9
143.08560	3.7
145.04971	4.0
145.10124	34.1
147.08025	1.8
147.11668	25.2
149.09654	3.4
149.13264	12.4
151.14851	3.3
155.08522	4.1
157.10066	17.7
159.11682	33.7
161.09628	4.0
161.13220	23.8
163.14839	8.4
169.10107	11.1
170.10886	2.2
171.11690	23.0
173.13280	26.0
175.11134	3.2
175.14789	14.9
177.16409	2.8
181.10030	2.4
181.87836	2.0
183.11700	11.2
185.13229	17.4
187.11125	2.7
187.14813	18.8
189.16364	8.5
195.11641	6.7
197.13229	10.1
199.14851	14.5
201.16399	11.1
203.17958	2.3
209.13220	7.9
211.14821	10.9
213.03883	3.7
213.16411	12.5
215.17964	4.1
217.15891	3.5
221.13298	2.4
223.14857	7.2
225.16367	8.9
227.17918	9.0
231.04831	15.6
231.17383	2.4
235.14868	3.1
237.16333	21.0
239.17932	8.9
241.19502	2.7
249.16646	2.2
251.17938	9.4
253.19463	10.8
255.17314	3.3
263.17752	2.4
265.19498	4.5
267.21130	1.9
269.19061	2.9
269.22348	3.0
277.19495	7.7
279.21127	3.1
291.21109	4.6
293.22501	2.6
309.21875	3.9
317.05191	13.2
319.24036	2.9
333.25647	2.7
335.06122	29.2
337.25153	2.6
345.25854	2.6
348.43890	2.1
361.28928	2.4
363.26709	3.3
391.33475	2.9
401.31931	31.9
419.33075	72.2
421.34622	9.1
437.34259	13.7
461.34076	16.8
479.35156	100.0
497.36316	48.9
612.92981	2.2
651.93079	2.1
753.38660	17.0
767.30011	2.5
771.39307	4.1
813.40186	22.8
831.41608	25.4
884.46198	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	884.499
Annotation	Unknow
Peak:m/z	Relative Intensity
66.19831	1.0
67.05241	0.9
67.05519	18.1
69.03423	7.3
69.07069	7.7
69.69047	1.1
71.04989	1.2
72.93756	1.0
73.02912	1.7
79.05492	2.6
81.03408	5.1
81.07063	16.3
83.08620	2.7
85.02910	17.6
87.00822	5.0
89.55381	1.1
91.05503	1.4
93.07044	7.0
95.05073	1.2
95.08601	21.6
97.02896	8.4
97.10191	1.6
99.04431	1.8
105.01854	7.2
105.07021	6.9
107.08588	14.2
109.02909	10.0
109.10155	100.0
112.75191	1.0
115.31663	1.0
115.68294	1.3
119.08571	11.8
121.10131	18.9
123.11669	5.1
123.78195	1.2
127.03910	14.4
131.08539	2.5
133.10149	9.5
135.08055	11.1
135.11707	8.7
137.13361	1.8
145.04938	2.5
145.10197	7.9
146.62422	1.1
147.08031	1.2
147.11630	9.7
149.13266	6.6
157.10132	2.5
159.02879	6.0
159.11723	7.4
161.13248	9.9
163.11082	1.1
163.14828	4.1
169.10144	1.6
171.11700	5.8
173.13257	8.8
175.14842	8.4
177.16409	5.4
179.12915	1.1
183.11656	2.5
185.13217	5.8
187.14832	8.4
189.16368	10.1
197.13228	4.5
199.14754	4.3
201.16402	2.2
211.14890	2.3
213.16379	2.6
214.86366	1.1
215.17879	1.5
217.15843	13.0
225.16275	2.2
227.17830	2.5
229.19504	1.3
237.16289	1.3
239.17955	7.2
241.19511	5.2
243.17387	1.8
251.18002	2.2
253.19502	4.4
255.21040	4.6
257.18893	1.5
281.22699	4.8
283.24203	1.5
293.22693	1.9
307.23849	1.3
339.26974	2.2
403.33551	24.7
421.34628	80.7
439.35648	24.6
497.50269	1.1
497.85098	1.2
591.96997	1.3
601.41229	1.7
651.38300	1.6
669.40118	22.4
687.41010	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	884.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
62.51523	2.2
67.05505	19.5
69.03432	13.3
69.07065	11.1
71.04979	2.8
73.02929	2.7
81.03410	8.3
81.07066	22.1
83.08634	3.9
85.02907	31.0
89.07585	1.9
91.05497	2.6
93.07037	3.0
95.04942	2.3
95.08621	26.3
97.02892	12.4
99.04449	3.7
103.28934	2.0
105.07047	5.4
107.08610	20.2
109.02885	9.8
109.06538	3.9
109.10164	76.0
119.08582	14.5
121.10136	20.4
123.11744	17.0
127.03902	26.8
131.08545	5.5
133.10162	15.8
135.11685	10.0
137.13306	2.1
139.67052	2.3
145.04962	5.1
145.10133	12.9
147.11649	15.2
149.13274	10.0
151.11162	13.5
157.10056	7.8
159.02835	8.2
159.11696	17.1
161.13274	12.3
163.14780	2.6
168.83257	2.4
171.11731	12.0
173.13261	15.0
175.14816	9.5
185.13287	12.3
187.14809	12.4
189.16435	4.9
199.14931	3.1
201.16396	8.4
211.14685	2.8
213.16463	2.3
215.17926	4.2
225.16432	3.9
249.06061	3.3
255.21053	30.7
273.22116	9.2
403.33521	12.6
421.34637	33.3
439.35861	18.9
601.41003	96.1
669.39117	3.8
687.41046	100.0
884.50201	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	886.512
Annotation	Unknow
Peak:m/z	Relative Intensity
61.48316	2.5
68.63929	2.5
69.03437	6.5
71.04971	5.2
83.80690	2.4
85.06503	4.3
91.25329	2.6
95.68626	2.7
97.02892	100.0
97.10177	3.9
107.08591	14.5
109.10191	2.6
119.23779	2.7
124.56459	3.3
125.09628	18.8
139.03925	29.4
143.10677	38.5
157.04970	5.6
194.35359	2.8
199.05998	4.2
200.87555	3.0
217.07083	20.5
269.45346	2.9
306.72473	3.1
356.24472	3.1
437.34546	3.2
574.78735	3.2
906.23059	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	886.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
62.18914	3.5
69.03428	21.4
71.04986	17.5
71.98976	3.0
72.64423	2.4
73.02926	2.8
73.06527	4.8
80.99702	2.8
85.02912	42.6
85.06561	6.8
93.07043	3.0
97.02890	100.0
97.10169	7.7
105.17855	2.8
107.08599	21.8
111.59362	3.3
115.03947	56.4
118.99949	3.5
125.09657	38.8
127.03888	5.2
133.10101	4.1
139.03903	3.4
143.10672	69.9
147.11684	3.9
157.04953	69.6
173.13249	4.0
217.07086	21.8
437.34094	14.7
455.35379	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	886.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
67.02428	3.7
67.05501	15.6
69.03429	6.3
69.07069	16.1
79.05483	15.8
81.03406	9.1
81.07059	44.7
82.71024	4.1
83.08587	6.5
85.02892	31.0
87.00823	15.1
92.20890	3.2
93.07059	25.9
95.08602	70.2
97.02898	7.1
97.04227	3.4
105.01874	13.7
105.07030	23.3
107.08584	41.1
109.02898	18.0
109.10146	66.3
112.07025	3.5
119.08548	38.2
121.10127	34.4
123.11688	19.1
127.03902	27.3
133.10104	30.2
135.11661	21.3
143.08549	4.6
145.04950	4.5
145.10135	33.5
147.11696	34.9
149.13264	21.5
157.10109	5.9
159.11664	43.1
161.13237	31.3
163.14774	5.1
171.11684	18.9
173.13249	25.7
175.14780	31.2
177.16307	4.3
183.23019	4.7
185.13312	12.2
185.51100	3.9
187.14835	33.5
189.16400	22.4
199.14827	18.6
201.16385	29.5
203.17949	20.8
203.43187	3.8
213.16336	6.3
215.17957	16.9
217.19508	5.1
227.17947	7.0
231.05040	5.3
237.07809	4.0
253.19464	13.7
269.22559	6.9
405.35150	100.0
423.36215	60.3
441.37561	4.8
585.41656	5.9
653.40088	8.3
671.41437	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	886.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	9.7
67.84127	1.4
69.03453	11.8
69.07072	14.3
70.49895	1.7
71.04974	1.9
79.05483	2.6
81.03418	10.4
81.07066	22.7
83.08627	3.9
85.02908	33.2
87.00019	1.6
87.00828	9.1
91.05486	4.1
91.26567	1.4
93.06543	1.6
93.07029	14.7
95.08604	34.2
95.37491	1.5
97.02886	9.7
97.10189	5.3
99.04462	2.1
105.01846	8.9
105.07014	13.6
107.08586	23.3
108.85782	1.5
109.02908	12.6
109.10161	40.2
110.26397	1.5
111.11725	3.2
119.08559	21.5
121.10134	23.1
123.11713	12.2
127.03896	24.4
131.08549	8.1
133.10130	17.2
135.11697	14.6
137.13274	3.3
143.08540	8.4
145.04947	7.3
145.10127	21.3
147.11685	16.4
149.13283	17.4
157.10135	9.3
159.02893	7.2
159.11707	19.5
161.13229	19.1
163.14778	9.9
169.10147	3.1
171.11703	13.2
173.13214	13.1
175.14819	9.2
177.16385	2.2
185.13185	12.9
187.14813	16.2
189.16310	3.3
197.13239	3.9
199.14825	8.5
201.16321	9.9
203.17839	3.2
211.14864	6.2
213.16382	10.8
215.17937	8.0
217.19475	1.8
225.16385	7.8
227.17947	14.7
229.19493	6.4
231.04973	2.6
239.17867	14.0
241.19507	13.1
243.21098	3.7
249.06079	2.2
253.19478	3.7
255.21120	4.0
257.19016	2.5
267.21188	3.1
269.22623	3.1
271.20474	2.0
281.22549	2.9
283.24109	7.9
295.24283	3.8
311.23944	2.1
311.27313	3.2
323.27069	2.4
349.29068	3.0
393.35095	6.2
405.35120	100.0
423.30585	3.4
423.36224	94.9
549.41827	1.7
567.39813	2.2
585.41382	23.7
635.39392	2.0
653.40186	11.1
671.41479	74.5
689.42236	8.6
851.47211	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	886.5155
Annotation	Unknow
Peak:m/z	Relative Intensity
62.41922	1.1
67.05511	16.1
69.03436	10.6
69.07066	15.9
71.64476	1.1
72.69760	1.1
73.02922	1.3
76.45911	1.2
79.05482	5.7
81.03410	5.8
81.07068	27.8
83.08627	6.1
85.02900	20.8
87.00826	5.0
91.05487	6.3
91.12926	1.1
92.52119	1.1
93.07052	14.4
95.08615	46.4
97.02909	9.7
97.06532	1.7
97.10191	5.3
99.04463	6.1
105.01862	8.5
105.07037	18.8
106.81782	1.1
107.07916	2.2
107.08604	34.6
107.09331	1.5
109.02908	11.1
109.06532	2.0
109.10165	67.5
109.10902	2.5
111.11729	1.6
117.07047	2.6
119.08578	29.5
121.10150	28.5
123.11710	20.7
127.03930	17.4
131.08571	11.6
133.10149	26.3
135.08073	1.3
135.11694	19.6
137.13266	5.6
138.33751	1.3
139.04010	1.2
143.08571	5.6
145.04965	6.4
145.10121	20.1
147.11682	28.7
149.13266	21.4
151.14836	1.6
157.10135	7.5
159.02927	4.7
159.11694	24.5
161.13252	35.0
163.14815	19.2
165.12646	1.3
169.10081	2.2
171.11703	7.7
173.13275	20.9
175.14827	20.2
177.16412	5.2
179.14284	2.0
185.13361	10.4
187.14841	30.7
189.16399	14.0
191.17905	2.1
197.13324	1.6
198.43243	1.4
199.14786	8.6
201.16396	18.1
203.17944	9.4
205.15877	1.9
205.19333	1.4
211.14861	5.2
213.16423	7.5
215.17924	9.2
217.19482	13.5
219.17422	1.6
223.14790	2.1
225.16399	2.9
227.18045	8.5
229.19521	8.6
231.05061	2.7
231.21094	4.6
239.17926	2.8
241.19473	5.7
243.21126	2.6
245.19034	6.3
245.22581	1.4
249.06056	5.2
253.19519	2.4
255.21085	5.0
257.18954	1.5
267.21048	4.8
269.22641	5.7
271.20499	1.4
281.22653	2.9
283.24503	1.8
295.24207	2.9
297.25787	6.8
309.25745	2.0
313.25134	3.0
321.25909	1.6
323.27573	1.2
335.27328	1.5
341.28491	1.4
349.28973	4.7
367.30066	3.0
405.35181	63.2
411.11136	1.4
421.34851	1.7
423.36237	100.0
441.37234	9.6
530.47479	1.5
567.40790	4.6
585.41791	9.7
653.40100	5.4
657.55591	1.4
671.41638	26.7
689.42102	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	887.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02357	0.2
63.25214	0.2
67.94623	0.2
68.70736	0.2
69.03425	2.0
71.05016	0.2
73.02922	0.4
78.75475	0.2
80.67272	0.2
81.03427	5.2
85.02911	4.0
87.00838	1.1
89.03910	1.2
97.02885	1.6
99.04438	1.4
105.01878	0.7
109.02893	3.8
117.01781	0.2
117.03385	5.0
127.03913	2.3
128.60718	0.2
129.01807	0.3
134.03551	0.2
145.02853	38.7
149.05969	1.9
159.02893	1.1
163.03960	0.2
177.05467	100.0
177.90569	0.2
186.05432	0.3
195.06494	1.2
208.52475	0.2
257.97665	0.2
301.07068	27.5
321.09589	2.8
339.06870	0.4
339.10736	8.8
425.10480	1.0
549.11853	1.0
581.17535	0.2
639.17267	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	887.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	2.6
70.27077	0.2
71.04969	0.3
73.02888	0.3
81.03425	5.2
81.68490	0.2
85.02908	4.9
87.00828	2.3
89.03910	2.6
92.72321	0.2
97.02888	2.9
99.04457	1.4
105.01856	1.1
109.02882	3.9
109.84914	0.2
116.56088	0.2
117.03375	7.2
120.27882	0.3
127.03942	3.6
134.03625	0.3
135.04388	0.3
145.02849	49.0
149.05954	3.7
159.02861	1.6
162.41234	0.3
167.03355	0.5
177.05463	100.0
186.05498	0.6
195.06664	0.3
223.73991	0.2
301.07056	87.5
321.09671	1.6
331.08041	3.0
339.10800	4.0
343.08105	0.6
425.10635	1.1
549.12128	1.0
579.14148	0.4
591.69452	0.3
594.48706	0.4
639.17035	7.3
679.63678	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	888.4945
Annotation	Unknow
Peak:m/z	Relative Intensity
62.84782	0.9
63.25946	1.0
64.81171	1.0
64.89334	0.8
67.05506	1.6
69.03428	14.2
69.07066	1.8
71.05000	17.4
73.02876	1.1
73.06566	2.6
79.05510	1.4
80.35696	1.0
81.07044	5.7
83.08617	3.9
85.02898	17.4
85.06532	9.4
87.00828	15.7
87.04485	1.6
91.05448	1.0
93.07021	4.5
95.08597	10.4
97.02889	32.4
97.10173	12.3
99.08069	1.9
105.01866	10.0
105.06995	4.1
107.07949	1.1
107.08607	26.7
109.06525	1.3
109.10155	16.5
115.03193	1.9
115.03925	37.1
117.06981	1.1
119.08570	6.8
121.10130	7.1
123.11723	11.9
125.09632	45.5
127.11179	10.5
130.37076	1.0
131.08566	5.8
133.10133	6.7
135.11685	2.2
141.12741	9.9
143.10674	100.0
145.10089	8.3
147.11703	9.5
157.10112	2.3
159.11688	6.8
161.13242	5.8
169.10091	1.7
171.11636	4.0
173.13243	7.4
175.14828	2.6
183.11687	4.0
185.13263	9.1
187.14777	6.7
189.16368	1.3
197.13261	1.9
199.14832	2.4
201.03922	18.4
201.16370	2.7
211.14783	2.1
213.16415	2.2
215.17897	2.3
219.04991	20.8
223.14706	1.6
243.17488	1.3
251.17833	1.1
297.21924	2.2
315.23032	1.6
333.25601	1.7
348.24921	1.1
401.32230	1.7
419.33090	16.6
437.34137	40.8
455.35217	32.7
473.36371	9.9
474.63315	1.1
629.39160	1.3
655.38000	5.4
673.39166	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	888.5308
Annotation	Unknow
Peak:m/z	Relative Intensity
68.08514	3.4
69.03442	8.1
85.02914	43.9
95.08604	4.8
97.02892	90.0
109.10175	6.7
113.85106	3.5
115.03938	70.7
131.40092	4.6
157.04982	100.0
171.11700	4.1
188.76714	3.8
199.14798	5.6
207.68054	3.9
217.06966	34.1
255.56409	4.0
413.74942	3.9
421.34811	7.5
439.35513	22.8
457.36746	3.9
469.36206	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	891.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
62.51361	1.4
68.69488	1.3
87.60636	1.4
89.51757	1.3
90.14238	1.3
93.38977	1.5
97.02929	2.7
203.05354	1.8
237.37119	2.1
305.03357	1.7
360.27551	1.5
477.33902	1.6
581.64374	1.5
667.37079	1.7
711.40576	16.9
891.47070	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.4791
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05177	1.2
67.05510	26.5
69.03427	6.5
69.07079	7.8
71.04982	0.8
79.05495	5.6
81.03411	5.1
81.07065	21.1
83.04993	1.7
83.08629	2.8
85.02911	13.4
85.06556	0.9
87.00835	3.1
91.05481	4.3
93.07052	10.6
95.04969	1.3
95.08608	17.5
97.02890	4.4
99.04464	3.0
99.08089	3.7
105.01875	4.4
105.07043	10.2
107.04966	4.6
107.08603	20.1
109.02880	7.3
109.06535	1.6
109.10159	100.0
111.08131	0.9
114.37825	0.7
117.07005	2.8
119.08583	28.0
121.06502	1.1
121.10137	14.9
123.08073	1.6
123.11718	4.3
125.09615	1.0
127.03906	11.4
131.08548	9.8
133.06474	8.0
133.10127	17.3
135.04404	3.7
135.08031	8.1
135.11681	6.3
137.09637	0.9
143.08568	4.3
144.09387	0.8
145.04971	1.6
145.10139	26.3
147.08028	1.3
147.11684	12.2
149.05988	12.0
149.09587	1.5
149.13260	5.7
151.07542	1.7
155.08478	1.1
157.10110	8.8
159.02875	4.0
159.08035	5.0
159.11679	15.4
161.09622	2.7
161.13254	7.9
163.07552	1.0
163.11186	1.7
169.10048	5.7
170.10809	1.0
171.08113	0.8
171.11690	10.6
173.09618	9.1
173.13245	9.1
175.11209	7.2
175.14822	14.4
177.09128	1.1
177.12717	1.5
177.16393	3.5
181.10129	1.3
183.11710	7.4
185.09702	0.7
185.13260	11.4
187.11174	1.4
187.14835	25.8
189.12755	2.8
189.16434	1.5
195.11700	3.5
197.13289	4.1
199.11116	2.5
199.14859	5.1
201.12828	1.1
201.16469	3.1
203.14378	1.1
203.18085	0.8
205.15898	1.2
207.11783	1.0
209.13211	4.0
211.14815	6.9
213.16393	5.9
215.14322	29.4
215.17772	1.0
221.13316	2.7
223.14799	4.1
225.12701	0.8
225.16382	6.6
227.14204	1.1
227.17905	3.1
229.15886	4.0
231.04994	1.0
231.17476	1.4
233.15361	12.3
235.14784	2.8
237.16490	5.0
239.14262	0.8
239.17947	4.6
241.15927	3.6
241.19473	2.7
243.17386	1.1
249.06021	1.1
249.16353	2.6
251.17929	3.6
253.19467	1.1
255.17429	0.8
263.17914	1.1
265.15738	0.8
265.19507	1.3
267.17459	3.6
267.21252	0.8
269.18961	3.4
277.19608	2.6
279.20886	1.3
281.19098	0.8
283.20547	1.3
291.21072	2.9
293.18823	1.1
293.22299	0.8
295.20682	1.0
305.22403	1.0
309.22250	6.0
311.12155	0.7
319.24292	1.3
321.22281	0.7
327.23138	2.9
331.24088	1.1
335.23642	3.7
337.25272	3.4
341.86145	0.8
343.24271	1.0
350.44473	0.9
353.24640	2.9
359.27362	2.5
361.25064	3.1
375.26913	1.4
377.28302	4.5
379.26459	1.6
391.30103	0.8
397.27417	6.3
399.30453	7.3
417.31540	53.4
435.32608	78.7
453.33640	37.5
466.34293	0.8
475.54361	0.8
561.35620	1.0
575.28345	1.6
597.37903	6.4
615.39099	6.8
645.32758	8.8
665.36328	4.0
683.37927	42.2
701.38959	32.8
838.42755	1.3
898.45514	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	898.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34698	1.2
65.96129	1.1
67.05508	9.1
69.03436	15.8
69.07063	6.0
70.06574	1.3
71.04968	1.6
74.91080	1.1
79.05522	1.4
81.03436	11.6
81.07043	15.7
83.04993	1.8
85.02908	37.0
85.82685	1.2
87.00845	5.4
87.04485	1.4
91.05494	2.4
93.07045	8.6
95.04980	2.0
95.08608	15.5
97.02889	15.2
97.10165	1.7
99.04453	6.0
104.05759	1.4
105.01883	5.4
105.07042	6.6
107.08598	11.9
109.02891	12.8
109.06519	3.2
109.10158	45.8
111.08087	1.7
113.09635	1.5
117.07031	1.7
119.08569	11.7
121.10143	14.5
123.08060	5.1
123.11737	5.2
127.03921	25.3
129.01910	1.4
131.08566	3.2
133.10132	9.1
135.08052	3.3
135.11705	8.4
137.09613	2.8
143.08575	1.7
145.04961	8.7
145.10101	10.0
147.11678	8.5
149.06010	2.9
149.09616	5.5
149.13287	1.8
155.08527	1.6
157.10120	2.9
159.02966	3.8
159.11685	7.1
161.09654	3.0
161.13246	5.7
163.07533	1.7
163.11134	1.7
165.12724	1.9
169.10129	2.9
171.11671	7.7
173.09634	6.2
173.13242	6.7
175.11198	5.1
175.14810	5.3
183.11728	3.0
185.13292	5.4
187.11133	2.3
187.14807	6.6
189.12750	2.3
189.16397	6.4
195.11713	1.8
197.13200	2.7
199.11234	6.5
199.14729	2.5
201.12761	2.7
201.16431	3.2
209.13167	2.4
211.14818	3.0
213.12700	1.6
213.16270	1.9
217.15759	1.4
223.14792	2.8
225.12747	6.3
225.16400	7.7
227.17905	2.9
229.15787	2.3
231.04903	1.8
239.14290	3.3
239.18024	1.9
243.13753	1.5
243.17337	7.4
245.15387	1.6
249.16202	1.6
251.17911	2.8
253.15904	1.7
264.88226	1.4
265.15842	1.9
265.19519	3.1
269.19070	5.4
281.18799	1.4
283.20578	2.8
293.19067	1.9
293.22577	1.9
307.20694	1.4
307.24307	2.1
309.21912	1.6
335.23621	11.4
353.24554	10.7
367.26187	2.6
371.25974	1.8
375.30420	2.0
377.28650	1.7
379.26196	3.2
383.29245	1.8
417.31561	15.6
435.32599	58.0
453.33603	36.4
597.37903	3.2
615.38959	100.0
665.36353	1.5
683.37885	10.9
701.39056	77.9
718.29156	1.6
766.87384	1.6
793.04089	1.5
793.44067	1.5
898.48352	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	900.493
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	17.9
69.07070	15.9
73.68025	10.1
78.72833	9.1
81.03407	13.0
81.07059	62.8
85.02908	14.2
89.67295	10.8
91.61826	10.0
93.07076	18.1
95.08604	66.1
97.02968	9.6
105.07036	9.8
106.02667	11.0
107.08597	51.4
109.02852	14.3
109.10153	92.5
119.08553	25.6
121.10111	19.2
127.03875	15.9
131.08589	14.2
133.10118	17.2
135.11699	12.7
147.11694	40.2
149.13242	14.5
157.10098	15.3
159.11678	19.6
161.13301	12.2
173.13269	16.1
183.11725	12.1
187.14801	18.4
197.13290	15.4
223.14783	14.4
228.19894	9.5
237.16452	14.1
254.76781	10.7
267.20874	12.7
401.31799	14.8
419.32941	92.9
437.34027	100.0
455.35165	21.3
599.39813	24.2
667.38257	17.3
685.39111	17.5
701.38153	19.0
703.40558	23.5
900.97729	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	900.4947
Annotation	Unknow
Peak:m/z	Relative Intensity
66.11804	2.7
66.51980	2.6
67.05510	21.5
69.03442	23.2
69.07066	12.1
79.05484	5.2
81.03422	12.9
81.07068	28.5
83.08596	3.1
83.17260	2.4
84.33496	2.5
85.02911	62.8
87.00828	13.7
87.41013	2.3
93.07047	19.9
95.08610	36.4
96.53845	2.6
97.02899	15.6
99.04454	12.2
105.01878	17.6
105.07043	17.4
107.08593	34.2
108.22813	2.8
109.02890	17.6
109.10165	100.0
117.07025	4.0
119.08601	26.7
121.10168	33.3
123.11698	11.2
125.09599	3.0
127.03903	32.7
131.08574	13.2
133.10153	18.1
135.11703	12.3
137.13249	3.8
143.08490	9.5
145.04982	11.4
145.10117	27.4
147.11685	28.4
149.13245	10.8
155.08658	3.4
157.10156	12.9
158.24426	2.6
159.02870	5.4
159.11693	31.0
161.13205	19.0
161.61148	2.4
163.14812	12.3
169.10117	4.5
171.11716	13.8
173.13287	26.8
175.14816	15.6
177.12808	3.4
183.11676	5.3
185.13266	14.4
187.14856	18.2
189.16368	6.0
197.13239	5.9
199.14857	12.0
201.16373	14.5
203.14330	2.9
203.17961	4.1
211.14839	10.7
213.16441	16.9
215.17979	13.8
217.19524	4.4
223.14859	4.1
225.16403	11.5
227.17953	10.6
229.19562	3.9
231.05020	5.1
237.16350	4.1
241.19489	3.9
251.17958	3.3
253.19611	4.5
265.19479	4.4
267.21033	17.3
269.22556	3.9
279.20990	4.3
281.22672	4.9
283.24350	3.7
292.22101	2.7
295.24213	3.4
321.26126	2.6
335.27332	4.3
391.33496	28.6
401.31946	12.0
409.34604	23.0
419.33224	39.8
437.34222	72.8
455.35226	45.5
539.64905	3.1
581.38031	3.4
599.39276	11.0
600.82117	3.3
617.40381	4.9
657.40167	4.5
667.38068	5.0
685.39453	55.4
703.40765	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	900.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	14.4
69.03419	8.5
69.07082	17.1
71.05005	2.4
73.02942	2.3
79.05491	2.9
81.03433	12.4
81.07062	19.4
83.08611	3.5
85.02903	25.9
87.00829	7.1
89.67135	1.5
91.05496	3.0
93.07037	10.0
95.04972	1.5
95.08605	32.8
97.02905	12.0
97.10136	2.0
99.04473	6.4
105.01875	8.2
105.07037	10.4
105.27700	1.4
107.08610	23.9
109.02871	12.5
109.06566	1.7
109.10159	67.5
111.11674	1.6
117.06995	2.0
119.08572	22.3
121.06544	1.7
121.10145	24.7
123.11742	10.7
127.03925	21.4
127.11212	8.8
129.01880	1.7
131.08582	12.2
133.10106	17.7
135.11703	14.1
135.70584	1.7
137.13248	2.0
143.08554	7.5
145.05000	8.0
145.10153	16.7
147.11664	17.5
149.13280	10.2
151.14746	1.7
155.08501	2.4
157.10129	10.1
159.02841	6.0
159.10541	1.6
159.11682	17.1
161.09627	2.6
161.13239	19.0
163.14856	3.6
168.41095	1.6
169.10117	8.9
171.11687	15.3
173.13226	16.6
175.14841	10.3
177.16469	3.5
183.11710	13.4
185.13272	13.9
187.14806	12.5
189.16347	8.6
195.11662	7.5
197.13269	10.5
199.14839	13.8
201.16333	11.1
203.17873	1.8
209.13286	7.2
211.14766	12.6
213.16373	12.8
215.14468	1.6
215.18040	3.2
217.15869	3.4
221.13231	2.4
223.12660	1.9
223.14844	8.6
225.16426	9.0
227.17957	6.7
229.15872	3.0
229.19408	2.6
237.16281	3.3
239.17876	5.8
241.19536	6.4
243.17517	2.2
243.21135	1.7
248.77139	1.6
249.16299	3.0
251.18007	3.1
253.15770	2.0
253.19431	10.1
263.17926	2.6
265.19565	9.2
267.21075	3.2
279.21103	9.1
281.19604	1.7
281.22650	9.7
283.20395	2.1
283.24115	1.7
289.19485	1.8
291.21121	2.3
293.22601	7.6
295.24216	2.7
297.22330	2.4
299.23737	2.4
305.22537	3.0
309.22287	3.4
309.25665	2.4
311.23752	3.6
317.52191	1.7
319.23859	2.0
321.25790	2.0
333.25848	3.6
337.25293	2.4
345.25763	2.2
351.26624	2.0
389.31943	12.0
391.33624	3.2
401.31915	14.3
407.33115	13.1
409.34781	2.7
419.33115	54.4
425.33960	3.4
437.34140	80.4
455.35187	41.5
599.39508	2.5
604.92218	1.7
649.36194	1.9
655.37927	8.4
667.38177	10.9
673.39929	12.4
685.39471	43.8
703.40509	100.0
721.41516	11.8
833.22302	2.0
847.44574	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	900.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05513	4.3
69.03415	2.5
69.07064	3.8
69.79273	0.5
79.05485	1.2
81.03423	2.7
81.07070	7.7
83.08605	0.7
85.02917	7.3
87.00808	1.4
90.23652	0.5
91.05447	2.0
92.29034	0.6
93.07033	4.1
95.04941	0.8
95.08609	12.1
97.02895	2.4
97.10196	0.7
99.04451	1.1
102.22758	0.5
105.01865	2.1
105.07017	6.7
107.08605	8.9
109.02858	3.5
109.06504	1.3
109.10159	23.1
117.55701	0.7
119.08597	8.5
121.06536	0.7
121.10133	9.5
123.11694	4.1
127.03928	4.5
129.01868	0.7
131.08597	4.2
133.06541	0.9
133.10139	7.4
135.08057	27.4
135.11696	3.9
145.04994	0.7
145.10112	7.0
147.08003	1.0
147.11678	8.7
149.13277	3.9
157.10114	2.7
159.02873	0.7
159.11713	3.7
161.09547	2.4
161.13237	5.8
163.14883	2.1
169.10146	0.8
169.55414	0.6
171.11702	3.7
173.09618	1.1
173.13258	3.7
175.14813	3.8
177.16406	2.5
183.11726	0.9
185.13252	3.1
187.11206	0.9
187.14816	12.8
189.16383	9.0
191.18050	0.6
199.14812	1.4
201.12743	3.2
201.16376	0.8
203.17966	0.7
205.19502	0.9
209.13292	1.1
211.14853	0.6
213.16466	2.1
215.14265	1.0
217.15874	24.6
217.17841	1.2
225.16331	0.9
227.14310	1.2
227.17891	0.7
229.15794	1.3
237.16458	1.4
239.17982	1.2
241.15910	2.2
241.19421	1.1
251.17896	1.2
253.19519	2.1
265.19617	0.7
269.19092	1.4
271.20383	0.6
279.21231	0.8
281.22549	1.0
283.20526	0.9
291.21121	1.1
297.21982	0.8
309.22174	2.3
327.23215	1.2
333.99588	0.6
337.25183	3.4
342.91132	0.6
355.26321	0.7
401.32053	2.9
419.33032	12.9
437.34161	12.4
457.54016	0.8
599.39478	13.6
667.37830	1.3
685.39435	100.0
847.43896	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	900.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	10.9
69.03446	3.1
69.07076	16.2
81.03412	3.4
81.07059	20.8
83.08617	4.7
85.02915	21.6
91.03963	2.1
92.21467	2.3
93.07047	13.2
95.08601	35.5
97.02898	10.9
97.10163	4.1
105.01856	4.1
105.07034	9.8
107.08620	19.0
109.02863	3.2
109.06504	4.6
109.10162	62.0
109.61929	2.0
119.08607	11.8
121.10147	22.0
123.11720	12.0
127.03925	13.6
131.08578	12.4
133.10149	10.3
135.08003	4.0
135.11703	12.1
143.08582	4.2
145.04913	2.8
145.10106	17.3
147.11664	19.8
149.13260	13.3
155.08612	2.5
157.10130	11.7
159.11690	13.8
161.13217	18.7
163.14807	8.9
169.10164	4.3
171.11681	14.9
173.09674	4.9
173.13260	18.4
175.11182	3.0
175.14818	12.6
177.05634	2.2
177.16376	3.1
178.84592	2.4
181.10075	2.4
183.11737	11.7
185.13293	9.9
187.14848	11.3
189.16382	2.7
195.11688	5.5
197.13240	10.5
199.14819	12.3
201.16406	4.4
209.13335	8.8
211.14815	10.9
213.16429	8.5
215.14134	2.8
221.13286	2.5
223.14792	9.6
225.16386	4.7
227.17924	8.3
229.15846	4.5
237.16386	5.5
239.17947	4.4
241.19475	4.5
249.16412	3.0
251.17963	4.5
253.19534	12.6
261.16180	2.5
265.19467	11.0
279.20941	9.6
281.22595	4.2
283.20547	2.7
291.21063	2.7
293.22699	5.0
299.23849	2.3
317.22766	3.4
333.25851	2.6
363.27261	3.5
389.31833	2.7
391.33533	8.5
401.31992	19.4
407.33258	2.9
409.34766	3.9
419.33093	35.2
437.34167	99.5
455.35159	100.0
581.38367	3.5
599.39612	29.8
617.40381	25.8
649.36688	2.8
667.38776	9.9
685.39081	13.7
703.40125	11.9
784.96997	2.6
847.43628	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	900.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05514	16.1
69.03416	4.9
69.07066	5.7
73.02902	0.8
78.03927	0.8
78.49100	0.8
79.05495	1.4
79.99497	0.9
81.03416	4.6
81.07061	12.8
83.08622	0.9
85.02898	11.3
85.16648	0.9
87.00826	4.6
93.07039	5.0
95.04962	1.2
95.08610	21.1
97.02882	4.2
97.10164	1.4
99.04414	1.6
100.41386	0.8
105.01900	4.6
105.07034	4.9
107.08623	10.1
109.02887	4.6
109.06528	2.2
109.10154	76.4
112.38617	0.9
117.07007	1.3
119.08600	8.2
121.10129	8.6
123.11695	8.0
127.03916	11.5
129.01862	1.2
131.08578	2.1
133.10133	8.6
135.11685	3.9
137.13330	0.9
138.09959	1.0
143.08601	1.6
145.05002	2.0
145.10132	14.1
147.11717	9.2
149.09666	3.1
149.13264	4.3
151.11220	8.0
156.85835	0.9
157.10121	4.9
159.02875	1.8
159.11705	9.6
161.09625	1.5
161.13248	6.0
163.14784	1.2
169.10149	2.1
171.11646	6.7
173.13239	7.1
175.14801	6.1
177.12766	1.1
183.11670	1.5
185.13293	4.7
187.14769	5.5
189.16412	1.3
191.06996	1.1
197.13211	1.9
199.14774	5.7
201.16362	7.0
201.90819	0.9
203.17839	1.4
209.13181	1.4
211.14793	2.1
213.16293	1.9
215.14381	1.7
215.18036	1.3
225.16397	2.3
227.17938	1.9
229.19501	1.9
237.16455	1.3
247.98886	1.2
251.17882	1.5
253.19626	10.5
257.18973	1.4
271.20636	2.3
272.66116	1.1
293.22702	1.0
308.35098	1.0
309.22028	1.1
311.23682	4.4
337.25168	1.4
349.29181	1.0
401.32037	1.5
419.33112	26.2
437.34122	31.3
567.22125	0.9
599.39008	4.1
617.40674	1.8
649.36725	1.2
667.38165	4.3
685.39417	100.0
703.40796	3.0
837.92883	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	902.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05517	20.4
69.03432	9.8
69.07064	11.8
73.02924	1.5
73.92043	1.4
74.04874	1.5
74.28165	1.6
79.05505	6.5
81.03413	8.3
81.07060	25.2
83.08646	3.7
85.02905	26.5
87.00826	8.6
91.05489	3.2
92.21551	2.0
93.07041	16.4
94.07744	1.5
95.08606	37.0
97.02890	12.1
97.10133	1.9
99.04438	2.3
99.91109	1.4
105.01865	8.7
105.07034	14.2
107.08595	33.0
107.27714	1.6
109.02864	11.7
109.10155	86.8
111.15868	1.6
119.08577	35.1
119.80015	1.4
121.10126	23.7
123.11696	12.5
125.09631	1.8
127.03924	21.4
131.08575	9.9
133.10112	18.6
135.11682	14.5
143.08588	9.8
145.04980	6.6
145.10115	24.7
146.10873	1.4
147.11685	24.1
149.13266	14.2
157.10133	13.2
159.02902	3.8
159.11687	30.5
161.13226	30.1
163.11177	2.5
163.14804	10.0
169.10146	2.5
171.11644	13.8
173.13261	23.8
175.14822	17.3
177.16362	8.4
181.10120	1.6
183.11655	6.2
185.13234	11.5
187.14821	20.3
189.16437	10.5
195.11719	2.0
197.13179	6.0
199.14806	15.7
201.16380	30.6
203.14250	1.9
203.18065	11.2
209.13205	2.9
211.14842	7.5
213.16360	10.2
215.17914	11.2
217.19565	2.0
223.14775	3.6
225.16447	3.8
227.17989	8.1
229.19453	2.5
231.04921	3.0
239.17984	6.8
241.19427	3.0
243.20964	2.7
249.06250	1.8
251.17915	2.6
253.19414	6.3
255.21019	6.8
259.20679	1.6
265.19391	2.1
267.21033	9.0
281.22644	2.7
293.22507	6.1
295.24091	2.5
321.25800	2.5
338.63297	1.9
347.27298	8.7
363.30487	6.0
367.96268	1.7
403.33569	58.9
419.33359	1.8
421.34671	100.0
439.35715	24.8
529.36462	1.8
583.40167	7.7
651.38654	9.5
669.40009	45.7
687.41260	21.7
779.48810	1.8
799.44434	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	904.5253
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	35.2
69.07064	16.0
79.05494	27.5
81.07063	76.9
83.04968	3.8
83.08607	5.7
83.84927	3.4
85.02910	21.0
86.61734	3.5
91.03951	7.4
91.05488	23.5
93.07064	30.8
95.08619	32.5
97.02891	8.4
97.10143	5.0
105.07032	28.9
107.08604	34.0
109.10154	7.3
119.08578	29.5
121.10149	43.2
123.08065	4.0
123.11699	39.7
131.08595	4.7
133.10155	7.1
135.11676	7.7
147.11703	95.3
157.10118	5.5
161.13225	4.1
165.12732	42.5
166.58144	4.5
216.34407	4.0
223.62891	3.8
261.22147	17.1
267.15863	53.7
285.16922	90.9
335.25775	65.8
353.26782	5.9
545.38263	100.0
563.39502	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	904.5255
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	32.7
69.03428	2.3
69.07074	14.8
71.05000	2.4
79.05492	17.5
81.07060	75.5
83.04980	2.8
83.08613	10.7
85.02897	14.2
91.03937	8.3
91.05480	21.1
93.07047	26.3
95.04947	3.1
95.08607	37.1
97.02880	9.2
97.06534	6.9
98.37198	1.7
99.08085	2.0
105.07034	27.6
107.08601	25.2
109.06496	2.7
109.10149	14.5
119.08575	25.1
121.10137	29.7
123.08120	1.9
123.11713	28.5
127.07597	2.2
131.08560	8.2
133.10120	8.3
135.11746	13.2
137.13214	2.9
141.11044	1.9
145.04942	1.8
145.10130	3.0
147.11682	80.2
149.13252	3.7
157.10132	2.1
159.11623	3.1
161.13280	3.8
163.14777	2.6
165.12747	29.1
175.03329	1.5
175.11168	2.2
175.14774	2.2
183.13799	1.7
187.14873	2.0
261.22095	15.4
267.15897	47.4
285.16983	52.1
335.21701	3.4
335.25781	100.0
498.48349	1.8
521.64410	1.7
527.36908	6.6
545.38367	99.8
563.39423	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	904.6921
Annotation	Unknow
Peak:m/z	Relative Intensity
71.08622	14.7
73.06557	7.8
75.78179	3.9
78.59395	3.6
85.10178	7.5
87.04469	6.1
89.06029	48.7
89.50562	3.4
93.53452	3.7
117.09108	6.3
133.08614	15.1
134.42824	3.6
161.11623	3.7
175.27551	3.8
262.42303	4.3
326.99924	4.2
628.04297	3.9
887.66028	21.5
904.69415	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.6783
Annotation	Unknow
Peak:m/z	Relative Intensity
64.54408	0.3
69.07067	2.8
70.06580	0.5
71.27733	0.3
79.05484	0.7
86.09663	0.4
96.07511	0.5
96.08127	13.0
97.06496	0.5
113.10769	6.3
114.09165	65.1
115.07564	1.5
130.96663	0.3
132.10196	1.5
137.81845	0.4
177.05569	0.3
186.42107	0.3
208.18105	2.2
209.16476	33.6
210.14935	1.9
215.93700	0.3
226.19121	10.9
227.17494	6.5
228.15933	25.2
245.18567	3.2
297.84387	0.3
301.07150	0.4
315.17325	0.3
321.26459	3.0
322.24878	20.7
323.23441	1.3
339.27518	8.2
340.25919	3.6
341.24359	11.6
341.28577	0.5
341.86594	0.4
358.26944	0.6
434.34741	2.6
435.33237	7.8
452.35818	5.1
453.34363	2.5
454.32687	2.3
471.35400	0.6
547.43103	1.6
548.41705	2.9
565.44067	3.0
566.43054	1.4
660.52234	1.4
661.50098	0.7
678.52808	1.4
679.51349	0.5
774.58984	0.7
792.59296	0.8
887.66168	2.2
905.67908	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.541
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	25.3
67.99133	0.7
69.03431	1.5
69.07072	14.3
71.04994	1.1
71.08626	1.3
73.02914	3.7
79.05494	10.4
81.03430	1.1
81.07062	67.3
83.04980	4.3
83.08614	11.2
85.02918	13.9
85.06541	4.4
91.03957	9.7
91.05482	14.8
93.07038	12.2
93.88847	0.7
95.05003	0.7
95.08607	34.2
97.02875	8.5
97.06519	4.9
97.10172	5.5
99.08092	4.8
101.06028	1.1
105.07034	21.4
107.08588	13.3
109.06517	4.5
109.10165	13.6
111.08100	2.5
113.05975	0.9
119.08580	18.7
119.51829	0.8
121.10148	20.6
123.08058	4.3
123.11701	29.5
127.03896	1.7
127.07538	3.7
131.04913	0.8
131.08583	0.7
133.10138	7.5
135.11674	3.6
137.13286	5.4
145.04968	1.7
147.11681	83.3
149.13269	3.5
157.10130	2.9
161.13286	3.8
163.05991	1.7
163.14783	1.3
165.12743	32.9
165.16524	0.7
166.12152	0.8
175.11166	1.7
175.14850	1.4
183.13826	1.6
191.01820	0.7
193.12360	0.9
229.14320	3.9
245.22678	4.3
252.07831	0.7
263.23727	5.9
267.12976	1.7
267.15897	68.5
285.16949	75.2
316.28149	0.9
337.27362	58.2
376.28088	0.8
376.33026	0.7
482.46329	0.9
502.68951	0.9
529.38867	1.0
547.39911	100.0
565.41132	12.1
816.70081	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	906.541
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	25.3
67.99133	0.7
69.03431	1.5
69.07072	14.3
71.04994	1.1
71.08626	1.3
73.02914	3.7
79.05494	10.4
81.03430	1.1
81.07062	67.3
83.04980	4.3
83.08614	11.2
85.02918	13.9
85.06541	4.4
91.03957	9.7
91.05482	14.8
93.07038	12.2
93.88847	0.7
95.05003	0.7
95.08607	34.2
97.02875	8.5
97.06519	4.9
97.10172	5.5
99.08092	4.8
101.06028	1.1
105.07034	21.4
107.08588	13.3
109.06517	4.5
109.10165	13.6
111.08100	2.5
113.05975	0.9
119.08580	18.7
119.51829	0.8
121.10148	20.6
123.08058	4.3
123.11701	29.5
127.03896	1.7
127.07538	3.7
131.04913	0.8
131.08583	0.7
133.10138	7.5
135.11674	3.6
137.13286	5.4
145.04968	1.7
147.11681	83.3
149.13269	3.5
157.10130	2.9
161.13286	3.8
163.05991	1.7
163.14783	1.3
165.12743	32.9
165.16524	0.7
166.12152	0.8
175.11166	1.7
175.14850	1.4
183.13826	1.6
191.01820	0.7
193.12360	0.9
229.14320	3.9
245.22678	4.3
252.07831	0.7
263.23727	5.9
267.12976	1.7
267.15897	68.5
285.16949	75.2
316.28149	0.9
337.27362	58.2
376.28088	0.8
376.33026	0.7
482.46329	0.9
502.68951	0.9
529.38867	1.0
547.39911	100.0
565.41132	12.1
816.70081	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	908.5571
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05516	17.5
69.03443	1.2
69.07081	22.2
71.05012	1.5
71.08633	1.9
73.02913	1.8
79.05481	6.7
79.32201	1.2
81.07065	40.8
83.04990	2.1
83.08627	16.7
85.02912	9.8
91.03958	8.1
91.05471	9.3
93.07054	7.1
95.08608	19.6
97.02866	5.8
97.06524	2.9
97.10161	14.0
99.08081	2.6
104.10182	1.4
105.07053	16.0
107.08593	12.1
109.06480	2.1
109.10135	10.4
119.08591	16.0
121.10143	21.7
123.08048	2.7
123.11701	21.6
125.09631	2.1
135.11697	7.5
145.05019	1.5
147.11691	79.6
149.13255	1.9
157.10100	1.3
165.12752	34.9
167.01860	1.5
265.25198	2.1
267.15897	70.1
285.16989	66.8
339.28937	60.8
357.29907	1.4
549.41547	100.0
567.42749	9.6
740.61871	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	909.4586
Annotation	Unknow
Peak:m/z	Relative Intensity
65.95477	0.3
67.05512	1.4
68.27283	0.3
69.03099	0.3
69.03418	2.5
69.07062	0.7
70.06595	0.4
71.01361	0.6
73.02921	6.7
74.06079	3.9
79.05521	2.0
81.07055	4.4
83.08614	0.3
85.02905	2.7
88.04053	0.3
88.25903	0.3
91.05505	1.6
93.07045	4.3
95.08604	7.3
96.35867	0.3
97.02875	2.6
102.05547	0.4
103.04020	0.4
105.07034	4.7
107.08604	6.4
108.08154	0.4
109.06487	0.4
109.10143	3.0
111.08096	1.3
112.07635	0.5
115.03963	2.0
117.07034	0.4
119.08570	6.5
120.06571	7.8
121.10159	4.1
123.11707	2.6
124.07621	0.4
129.06990	0.4
131.08597	2.8
133.10135	5.6
135.08109	0.5
135.11713	3.0
141.01830	4.1
143.08542	2.3
145.10135	6.3
146.09598	0.5
147.11691	4.6
149.13284	1.5
151.11279	0.4
154.08687	0.5
155.08495	0.5
156.09431	0.4
157.10117	6.7
158.09723	1.8
159.10501	0.6
159.11687	9.5
159.12895	0.5
160.11194	2.3
161.09723	1.6
161.12032	4.5
161.13319	3.5
163.14888	1.3
169.10173	1.4
170.09654	0.5
171.11682	5.1
172.11247	1.6
173.09776	0.5
173.11911	0.7
173.13235	4.7
173.14453	0.4
174.12753	3.2
175.14804	3.2
177.16359	1.1
183.11716	2.8
184.11218	0.4
185.09695	0.4
185.13345	2.5
186.12788	2.6
187.11288	1.5
187.14812	5.1
189.12820	0.6
189.16438	2.1
195.11732	1.7
197.13234	4.3
198.12735	3.0
199.14832	5.6
200.14305	3.6
201.12775	0.6
201.16360	2.6
202.15923	0.4
203.10664	0.4
204.10271	0.4
205.15961	0.4
206.11850	2.2
209.13324	1.3
211.14868	2.1
211.74080	0.3
212.14316	0.7
213.16379	0.5
214.12387	1.7
214.16077	1.8
215.10748	0.4
215.18056	0.5
216.13927	0.7
218.11812	0.4
219.12486	0.4
220.13432	2.2
225.16380	0.7
226.12263	0.4
226.15865	0.6
228.13972	0.6
230.11806	0.7
232.13330	3.7
234.14890	1.4
235.14890	0.5
237.16333	0.6
240.17505	0.4
241.12238	0.6
243.13844	0.4
244.13329	4.6
245.14189	2.1
246.14883	4.1
247.15657	15.6
248.16536	0.4
249.16347	0.6
255.13899	0.7
256.13132	0.3
258.14893	2.5
259.15750	0.7
260.16458	5.5
270.15027	0.7
272.16605	1.7
284.16409	0.4
286.18201	0.4
298.17966	0.6
312.19720	0.8
314.21179	0.7
338.21411	0.6
339.00076	0.4
378.28055	0.6
397.30219	0.8
406.27649	1.6
418.31302	1.2
434.25681	0.4
434.30453	2.3
436.32449	0.4
438.33755	0.4
446.30508	4.5
464.31619	9.8
465.32535	0.6
466.33252	0.5
482.32693	7.5
483.33487	3.2
601.38593	1.8
658.36011	3.1
705.37714	0.5
777.40729	2.9
790.40027	11.7
791.40753	21.6
792.41113	0.5
846.77380	0.4
892.43378	2.1
909.45917	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	1.4
69.03442	2.2
73.02940	2.9
81.03465	0.6
81.07091	3.4
85.02903	4.5
91.03973	3.5
93.07059	0.7
95.08627	2.1
97.02889	4.0
101.96596	0.6
103.37727	0.5
105.07070	0.9
107.08614	0.9
121.10192	0.9
123.11562	0.5
126.28185	0.5
127.03939	1.1
144.69516	0.7
147.11778	2.9
165.12842	0.8
168.61591	0.5
185.04221	0.8
200.53802	0.5
203.05344	2.3
243.08455	0.8
251.11343	0.6
269.12524	2.7
287.13660	1.2
301.20294	1.1
307.15366	0.9
347.09436	8.2
365.10828	3.5
405.13754	7.3
425.21808	0.8
444.59833	0.7
461.48831	0.6
469.20496	11.1
519.29089	4.2
578.07861	0.6
631.25641	12.3
681.34375	7.2
742.85510	0.7
747.42950	1.3
909.48218	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	1.4
69.03442	2.2
73.02940	2.9
81.03465	0.6
81.07091	3.4
85.02903	4.5
91.03973	3.5
93.07059	0.7
95.08627	2.1
97.02889	4.0
101.96596	0.6
103.37727	0.5
105.07070	0.9
107.08614	0.9
121.10192	0.9
123.11562	0.5
126.28185	0.5
127.03939	1.1
144.69516	0.7
147.11778	2.9
165.12842	0.8
168.61591	0.5
185.04221	0.8
200.53802	0.5
203.05344	2.3
243.08455	0.8
251.11343	0.6
269.12524	2.7
287.13660	1.2
301.20294	1.1
307.15366	0.9
347.09436	8.2
365.10828	3.5
405.13754	7.3
425.21808	0.8
444.59833	0.7
461.48831	0.6
469.20496	11.1
519.29089	4.2
578.07861	0.6
631.25641	12.3
681.34375	7.2
742.85510	0.7
747.42950	1.3
909.48218	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.5729
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	10.7
68.90494	1.3
69.07079	10.7
71.05007	1.7
71.08638	17.3
71.23817	1.2
72.52969	1.5
75.56998	1.2
79.05489	5.4
81.07067	39.6
83.05012	2.0
83.08634	10.2
85.02905	8.7
85.06550	1.9
85.10179	10.1
91.03970	3.4
91.05485	8.7
93.07023	2.8
95.08616	21.8
97.02879	1.6
97.06538	1.9
97.10182	6.7
99.08096	2.9
105.07033	17.5
107.08611	5.7
109.10156	7.3
109.38298	1.4
111.11700	1.7
113.06025	1.8
119.08580	12.7
121.10196	13.5
123.08014	1.8
123.11698	22.7
127.07568	2.8
134.54247	1.7
136.06784	1.6
137.13237	2.6
145.05005	1.6
147.11694	73.5
165.06433	1.4
165.12766	30.4
211.36372	1.4
267.15918	60.9
285.16983	68.4
341.30557	67.6
474.27185	1.8
551.43079	100.0
569.44226	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	912.6555
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	37.9
69.07078	17.1
69.28245	3.3
79.05498	15.9
81.07064	58.1
83.08620	13.7
85.06522	5.2
91.05495	16.0
93.07043	34.4
95.05001	3.6
95.08606	55.5
99.08099	6.4
105.07035	19.6
107.08591	53.4
109.06583	4.0
109.10162	100.0
111.08106	4.2
116.57169	2.7
117.07014	3.2
119.08582	49.0
121.06525	3.2
121.10155	41.7
123.08024	4.3
123.11705	15.1
125.09638	3.3
131.08574	25.3
133.10118	36.0
135.11665	24.1
137.09584	3.5
143.08586	7.2
145.10135	29.5
147.11694	33.0
149.09627	6.9
149.13263	16.8
151.11224	4.9
155.08510	5.2
157.10129	22.7
159.11699	32.5
161.09592	5.5
161.13249	20.0
169.10167	4.3
171.11670	26.3
173.13254	30.6
175.11185	4.6
175.14821	37.8
183.11731	12.1
185.13301	21.2
187.14865	13.6
189.16388	4.7
195.11656	3.1
197.13304	4.0
197.19949	3.3
199.14798	13.3
201.16345	4.4
209.13219	4.9
211.14828	13.7
213.16394	13.3
221.13290	3.0
223.14679	6.8
225.16394	7.2
227.17863	27.6
237.16312	5.1
239.17932	13.5
241.19478	5.9
243.17532	3.5
243.21024	4.0
245.18895	5.0
253.19394	20.4
269.18933	6.8
271.20529	16.4
277.19232	3.1
279.20963	3.9
289.21704	5.0
293.22781	3.9
311.23795	6.3
337.25369	4.9
353.28424	5.0
363.27209	5.3
369.24094	6.2
387.25131	6.9
393.31564	3.7
401.31921	6.4
405.04919	3.7
405.26260	17.2
419.33057	45.9
423.27359	12.5
427.96609	3.2
437.34149	89.0
455.35233	86.9
682.25970	3.6
841.59259	6.8
859.60669	4.8
877.61151	4.3
898.80701	3.8
912.62006	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	914.4709
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	17.1
68.95762	2.0
69.03436	9.2
69.07065	10.2
73.02930	2.8
73.69790	2.1
73.77758	2.0
76.94176	2.3
79.05479	4.8
81.03432	3.7
81.07066	82.4
83.04965	2.9
85.02905	35.7
87.00826	3.6
91.05475	4.3
93.07046	12.3
95.08606	34.5
97.02900	16.6
97.06544	4.9
99.04462	2.5
99.08111	4.1
105.01876	5.4
105.07043	10.7
107.04968	2.2
107.08595	23.8
109.02876	12.2
109.06519	3.4
109.10166	60.0
109.52992	2.2
115.03925	5.2
119.08592	32.8
121.06498	3.1
121.10128	15.9
123.11702	4.6
127.03934	20.3
127.11172	3.8
131.08597	10.4
133.04929	3.8
133.06543	3.1
133.10138	30.1
135.11694	10.4
137.09586	3.9
137.13286	16.6
143.08600	4.3
145.04961	8.5
145.10138	37.3
147.11684	15.8
149.13248	2.9
151.02678	2.4
154.37076	2.4
155.08540	4.7
157.10141	17.6
159.08038	4.7
159.11665	17.8
161.09613	4.1
161.13292	13.3
169.10127	13.4
171.11696	15.1
173.09590	10.4
173.13246	16.3
175.14830	10.0
181.10138	3.3
183.11707	11.1
185.09488	2.2
185.13242	16.6
187.14796	13.7
189.16302	2.5
195.11719	4.5
197.13297	12.0
199.11295	2.3
199.14835	8.8
201.00148	2.2
201.16533	3.5
209.13344	3.5
211.14822	10.0
213.12819	2.6
213.16507	2.7
215.14325	4.1
221.13269	4.2
223.14880	5.4
227.14311	4.0
231.13841	4.1
233.13223	3.0
235.14975	3.1
237.16357	4.0
239.14346	2.5
241.15921	3.1
249.16267	3.9
251.18065	4.5
255.17482	3.6
263.17828	4.4
265.16089	3.0
275.18073	3.5
277.19482	3.8
281.18942	4.1
290.95474	2.5
295.10233	10.3
321.22012	4.1
370.01434	3.0
377.24554	2.8
395.25201	2.5
403.29922	9.8
405.31573	4.3
415.29782	14.0
421.31100	11.5
433.31012	62.5
451.32092	90.9
466.26218	9.8
469.33105	21.4
613.38275	3.2
661.31781	4.7
663.35040	2.7
681.36017	11.8
699.37451	100.0
717.38184	38.1
735.39465	4.5
914.67450	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	916.4898
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	12.1
69.03426	9.9
69.07065	4.1
78.73960	1.8
79.05463	2.2
81.03413	5.2
81.07049	17.0
81.31329	2.6
85.02908	19.7
91.05448	4.3
93.07045	11.0
95.08591	26.8
97.02882	10.2
99.04482	2.6
105.01862	3.0
105.07041	17.0
107.08581	21.0
109.02859	3.3
109.10163	39.4
119.08567	19.5
121.10126	16.3
123.11680	3.3
127.03923	14.4
131.08554	11.5
133.06474	4.5
133.10127	18.2
135.04419	5.2
135.08028	5.1
135.11702	12.4
143.08569	3.6
145.10110	27.2
147.11687	24.1
149.05978	8.8
149.09666	2.5
149.13255	8.6
155.08591	2.7
157.10101	4.1
159.08040	3.9
159.11600	16.0
161.09557	3.1
161.13287	13.7
163.03752	2.5
169.10071	8.7
171.11649	8.9
173.09633	11.4
173.13229	11.6
175.11163	20.9
175.14845	16.1
183.11745	3.8
185.13245	9.4
187.11212	4.9
187.14810	41.4
189.12804	3.0
189.16418	2.3
195.11598	3.2
197.13162	3.6
199.14839	4.7
201.16356	7.8
203.14374	3.3
205.15918	3.9
211.14772	4.4
213.16403	4.2
215.14285	29.2
223.14861	3.8
225.16389	3.5
229.15891	3.6
233.15367	28.8
237.16422	3.5
239.17931	3.3
241.15862	4.3
253.15741	2.5
267.17325	3.3
271.20422	2.2
295.20673	2.4
309.22089	2.8
327.23114	2.6
352.64209	2.4
359.27344	4.8
377.28336	8.5
395.29654	10.2
399.30148	3.2
413.07996	2.6
417.31573	19.9
435.32529	67.8
449.77429	2.4
453.33627	100.0
597.38000	13.5
615.38824	26.2
643.34430	3.7
645.32245	3.7
665.37091	2.9
683.37970	38.9
701.38812	55.9
916.29028	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	916.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	0.7
67.05515	11.3
68.63408	0.8
69.03435	8.1
69.07065	6.9
71.04987	1.2
79.05495	4.8
81.03406	4.1
81.07061	17.2
83.04968	1.0
83.08607	2.2
85.02910	14.0
87.00840	3.9
88.51076	0.9
91.05496	4.4
93.07040	11.5
95.04962	1.3
95.08611	27.4
97.02896	4.6
97.06519	1.4
99.04453	4.1
99.08084	1.1
99.59309	1.1
102.53700	0.8
105.01866	5.1
105.07029	14.6
106.37017	0.9
107.04972	1.0
107.08600	25.3
109.02870	7.9
109.06495	2.1
109.10157	41.0
117.07040	1.5
119.08574	24.3
121.06486	1.5
121.10130	13.1
123.08047	2.1
123.11687	5.8
127.03908	12.6
129.01816	1.8
131.08551	10.7
133.06544	6.2
133.10130	15.9
135.04404	4.7
135.08083	4.3
135.11694	10.1
137.09634	2.1
143.08568	4.8
145.04955	3.3
145.10129	24.0
147.08014	1.7
147.11687	26.7
149.05977	12.5
149.09615	4.0
149.13245	9.1
151.07559	1.7
155.08522	1.5
157.10143	7.5
159.02875	2.2
159.08047	4.0
159.11662	13.9
161.09657	3.0
161.13245	10.6
163.07588	1.3
163.11172	1.9
163.14891	1.3
169.10141	4.6
171.11699	8.5
173.09618	11.6
173.13237	12.5
175.11182	23.8
175.14781	19.3
177.12784	1.2
177.16328	1.8
183.11681	5.2
185.09555	1.1
185.13292	10.2
187.11205	4.6
187.14813	44.5
189.12721	4.0
189.16367	4.9
191.14136	1.2
195.11700	1.7
197.13229	5.1
199.11188	1.9
199.14815	5.5
201.12758	6.2
201.16435	6.8
203.14293	4.5
203.17877	1.7
205.15916	4.0
209.13348	2.1
211.14833	7.7
213.12717	2.1
213.16321	5.2
215.14299	24.9
215.17885	2.1
217.15909	1.8
223.14827	4.2
225.12790	3.3
225.16408	4.0
227.14252	1.7
227.17921	4.3
229.15910	4.0
231.04924	1.2
231.17445	1.3
233.15355	23.0
235.14784	1.9
237.16396	3.9
239.14273	1.3
239.17928	3.6
241.15877	5.5
241.19536	1.1
249.16438	1.4
251.17868	3.8
253.15822	1.4
253.19505	3.9
257.18967	2.0
263.17981	2.1
265.19464	2.1
267.17422	4.2
267.21133	1.0
269.18918	3.8
275.17850	1.2
277.19501	1.5
279.17407	1.1
279.21133	1.0
281.19290	1.5
283.20578	1.6
289.19269	1.3
291.21051	1.9
293.19217	1.4
293.22543	1.2
295.20316	1.5
303.21069	1.2
307.20657	1.3
309.22122	3.5
315.20657	1.3
317.22723	1.4
321.22198	1.2
327.23212	1.3
331.24042	1.3
335.23611	3.6
353.24557	1.9
359.27371	5.5
361.25217	1.7
377.28259	8.3
379.26254	3.6
395.29373	4.8
397.27341	5.1
399.30518	5.7
417.31509	22.1
435.32574	53.7
453.33615	72.6
534.17334	1.0
597.38281	6.2
615.38867	11.0
625.33862	1.0
642.41437	1.2
643.34924	6.6
645.32574	13.4
665.36548	4.6
683.37964	67.1
701.38940	100.0
717.97192	1.2
845.42731	1.6
863.43176	1.8
914.41663	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	916.4892
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05520	15.6
69.03427	9.2
69.07066	18.0
71.04993	2.8
73.02850	1.6
79.05507	2.8
81.03425	9.5
81.07058	27.4
83.08622	2.1
85.02905	30.0
85.06577	1.9
87.00832	8.3
91.05496	2.8
93.07050	12.4
95.04974	1.8
95.08612	31.7
97.02879	10.5
97.06522	2.7
97.10189	2.5
99.04450	6.3
99.08069	6.4
99.62199	1.5
105.01862	6.1
105.07003	11.7
107.08607	21.4
109.02905	14.3
109.06526	3.9
109.10161	66.5
111.11731	2.0
114.09209	5.6
114.65157	1.5
117.07037	2.0
119.08578	17.4
121.06454	2.5
121.10131	20.0
123.08002	3.5
123.11732	12.6
127.03904	24.2
127.11201	9.2
131.08566	7.0
133.10147	16.6
135.08069	2.7
135.11702	16.9
137.09654	2.0
139.11185	1.8
143.08575	3.7
145.04991	2.5
145.10089	15.2
147.11684	14.9
149.13274	8.9
155.08533	3.8
157.10150	15.2
159.02861	9.0
159.11682	14.2
161.09599	3.2
161.13263	13.5
163.14758	3.4
169.10097	7.8
171.11696	15.6
173.09708	2.9
173.13264	14.7
175.11121	1.7
175.14833	14.7
181.10162	2.6
183.11678	9.8
185.13234	11.1
187.11208	2.3
187.14807	14.0
189.16414	2.0
191.10506	1.7
195.11700	9.9
197.13275	8.5
199.14822	7.9
201.16451	6.9
203.14255	1.9
207.11700	3.7
209.13271	9.3
211.14835	8.7
213.12845	2.4
213.16370	8.3
214.00911	1.6
215.14311	2.6
215.17844	1.8
221.13234	8.4
223.14844	8.1
225.16406	6.4
227.14401	2.4
227.17891	6.6
229.15837	6.4
230.09483	1.8
231.05031	1.7
231.17433	1.9
235.14828	3.6
237.16360	3.0
239.14288	3.5
239.17903	2.7
241.19473	3.0
243.17307	2.3
249.16441	3.1
251.17984	7.4
253.19597	2.2
255.17490	2.6
255.21042	2.1
263.17950	7.5
265.19464	6.3
267.17496	2.6
267.21072	2.9
269.19009	1.7
277.19446	2.8
279.21060	7.8
281.18945	2.9
283.20584	5.4
289.19611	2.0
291.21091	2.5
293.22668	2.9
295.20566	6.8
297.22079	2.0
299.20334	1.9
301.07117	2.3
305.22528	3.7
307.20670	2.2
307.24152	3.0
309.22006	2.9
317.22543	2.8
321.22131	2.0
323.23694	5.7
331.24219	2.8
335.23581	2.8
349.25302	6.7
351.26843	3.4
353.24625	3.5
361.25177	3.4
363.26761	2.3
387.30176	11.5
389.32123	3.1
397.27359	7.4
399.30399	3.6
405.31619	23.8
407.32986	6.8
417.31445	26.4
423.32452	8.6
435.32617	82.1
453.33612	100.0
469.62613	1.8
471.34726	13.7
645.32886	2.0
653.36566	5.7
655.38440	1.6
665.36780	6.8
671.37970	17.6
683.37830	27.8
689.39117	18.2
701.38959	97.5
719.40033	21.2
737.40662	10.3
778.15271	1.7
788.36090	1.8
916.66748	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	917.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	15.9
69.03439	35.7
69.07066	6.2
73.02923	2.2
79.05502	4.9
81.03433	25.9
81.07059	23.5
83.04996	2.9
83.08636	4.9
85.02915	55.2
87.00827	17.5
88.87595	2.7
91.05490	4.8
93.07048	22.1
95.04977	3.2
95.08620	41.8
96.12847	2.4
97.02885	23.0
97.10194	3.7
99.04484	18.1
105.01886	15.0
105.07034	17.1
107.08602	33.9
109.02892	44.7
109.10172	41.5
111.04445	3.8
119.08605	21.5
119.09313	2.4
121.10190	21.5
123.11710	6.2
127.03929	53.6
129.01834	3.8
129.07014	4.4
131.08575	14.7
133.10130	18.0
135.11668	6.2
143.08534	4.9
145.04996	12.3
145.10146	27.2
147.02861	3.2
147.11673	15.9
149.13264	6.0
151.07442	3.0
155.08612	5.5
157.10118	11.6
159.02881	15.9
159.11667	22.9
161.13225	20.4
163.14790	4.5
169.10136	6.3
171.11705	14.8
173.13260	26.9
175.03923	5.9
175.14812	14.3
183.11739	5.7
185.13235	11.1
187.14813	15.0
189.04024	2.9
189.16299	3.8
195.11732	4.1
197.13239	16.4
199.14871	12.5
201.16422	18.2
203.17960	2.9
207.06564	16.6
209.13335	4.3
211.14806	10.5
213.03897	4.5
213.16312	4.3
215.17909	5.3
221.13168	3.3
223.14818	6.1
225.16383	5.1
227.17943	11.5
229.19580	3.0
231.05029	15.5
237.16283	4.4
239.17900	8.5
243.21019	5.9
251.18001	14.2
253.19501	11.1
255.21138	2.9
265.19562	5.5
267.21112	12.5
273.06110	3.7
275.17896	3.1
277.19611	3.3
279.21143	4.9
293.22620	11.4
301.07010	19.9
347.27216	8.5
365.28143	2.6
401.32202	3.7
403.33606	88.3
421.34491	26.7
511.35593	4.0
529.36755	3.0
615.36896	5.5
633.37622	14.8
639.61676	2.8
651.39008	42.6
657.76233	2.9
669.39996	26.6
777.43134	2.8
881.42004	11.2
899.43304	23.8
917.45367	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.5048
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	22.0
68.90781	2.1
69.03429	13.5
69.07061	16.6
79.05511	9.9
81.03413	8.5
81.07073	31.9
83.08591	2.9
85.02908	28.4
87.00829	3.0
91.05460	4.8
93.07053	20.4
95.08607	46.7
97.02887	9.4
97.06549	2.1
97.10180	3.2
99.04440	3.2
105.01873	10.5
105.07032	25.7
107.08595	36.2
109.02876	12.1
109.06523	3.6
109.10163	88.6
119.08580	38.7
121.10161	34.4
123.11709	14.4
127.03912	27.0
131.08536	12.0
133.10129	29.3
135.08040	5.0
135.11716	17.8
138.50075	2.0
143.08577	8.8
145.04929	4.0
145.10133	32.8
147.11682	28.4
149.09636	3.0
149.13269	13.4
155.08548	3.2
157.10120	19.1
159.02885	3.7
159.11690	30.1
161.09593	4.2
161.13255	17.4
163.11133	2.4
163.14771	4.1
169.10127	12.7
171.11671	24.6
173.09703	2.4
173.13271	31.6
175.11124	2.5
175.14835	16.2
177.16313	2.7
183.11658	15.0
185.13245	18.0
187.14806	23.9
189.16414	11.5
195.11691	4.9
197.13228	12.3
199.14832	18.3
201.16386	10.7
203.14273	2.4
203.17981	8.3
205.32431	2.3
209.13309	5.2
211.14830	10.8
213.16379	18.7
215.17943	10.4
217.15874	10.6
221.13251	2.8
223.14847	2.5
225.16391	4.0
227.17943	14.3
231.17570	3.9
235.14809	3.6
235.16963	2.8
237.16388	10.0
239.17891	4.7
241.19510	5.1
249.16479	3.4
251.17949	9.4
252.18707	2.7
253.19545	7.8
255.17517	3.0
265.19482	5.0
267.20944	3.9
271.20566	2.9
279.21066	3.8
291.21069	4.3
292.21524	2.8
293.22519	3.2
295.24240	2.2
300.10223	2.6
309.22141	2.7
311.24149	2.9
333.25732	3.1
337.25092	3.0
361.28860	4.1
363.26434	2.4
379.30249	3.1
401.32040	41.4
419.33051	100.0
437.34167	94.0
455.35193	34.0
581.38300	10.5
599.39313	17.3
621.15637	2.5
667.38531	37.1
685.39453	91.8
703.40234	26.6
821.44287	2.5
847.44647	16.0
865.44812	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	919.6283
Annotation	Unknow
Peak:m/z	Relative Intensity
63.97809	2.0
65.03911	3.0
67.05510	40.3
69.03434	5.7
69.07072	20.1
69.27750	2.0
79.05510	35.5
81.03414	14.0
81.07062	56.2
83.08630	4.5
84.20094	2.3
85.02888	3.7
91.05466	19.7
93.07045	44.8
95.04970	4.5
95.08602	72.0
97.02898	4.7
101.36959	2.3
105.07040	35.7
107.08600	50.8
109.02882	3.0
109.10163	61.7
117.07010	10.7
119.08575	45.5
121.10146	33.4
123.11706	12.2
129.14114	2.5
131.08565	20.1
133.10135	31.0
135.11687	19.9
136.00070	2.7
143.08556	13.2
145.10118	33.5
147.11707	25.0
149.13260	10.0
155.08556	5.0
157.10162	25.0
157.11288	2.7
159.11691	27.4
161.13213	20.2
163.14769	3.5
169.10100	18.1
171.11661	27.7
173.13239	15.0
175.14778	11.1
181.10165	4.6
183.11667	21.8
185.13249	21.7
187.14835	9.6
189.16422	3.0
193.10159	3.9
195.11676	16.9
197.13249	15.5
199.14832	13.5
201.16383	5.0
207.11746	11.1
209.13237	21.9
211.14786	5.7
213.16374	11.5
215.17810	3.5
221.13274	13.3
222.14114	3.8
223.14864	13.3
224.15558	2.7
225.16444	17.7
227.17963	5.1
235.14742	3.7
237.16431	26.9
238.17172	3.2
239.17952	14.0
241.19553	5.5
247.14809	4.2
249.16313	8.6
250.17140	2.8
251.17896	15.3
253.19493	24.1
261.22052	3.1
263.17981	4.5
265.19550	11.2
267.21051	9.0
277.19467	13.7
279.21024	11.3
290.20325	4.3
291.21027	14.3
292.21814	4.8
293.22589	10.6
319.23907	2.6
345.25943	3.0
351.23135	3.9
401.32101	51.4
419.28030	3.0
419.33188	67.5
422.38687	3.0
437.34445	3.9
461.34088	39.3
479.35199	100.0
497.36121	13.2
606.37799	2.7
823.57776	9.7
841.59821	39.5
859.59955	20.7
879.36578	2.8
901.61432	50.3
919.45673	3.3
919.62616	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	921.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	1.2
69.03438	2.8
69.07062	0.9
70.39448	0.1
71.04985	0.3
73.02911	0.3
75.71693	0.2
79.05489	0.7
81.03425	5.7
81.07065	4.7
83.04972	0.7
83.08595	0.2
85.02907	2.9
85.06539	0.3
87.00853	1.2
91.05471	1.6
91.64983	0.1
93.07041	0.7
95.04958	0.2
95.08614	1.1
97.02892	2.3
97.06519	0.4
99.04447	1.1
99.08082	0.2
105.01859	0.3
105.07032	3.2
107.08584	1.5
109.02880	3.8
109.06528	0.3
117.01867	0.3
119.08587	1.9
121.10126	1.8
123.08090	0.3
123.11703	3.2
127.03918	3.8
145.04974	0.4
147.11687	8.5
157.10149	0.2
159.02887	1.0
165.12732	2.9
167.44736	0.1
175.11119	0.4
183.13786	0.2
193.12270	0.4
229.14325	2.4
285.37610	0.2
286.04840	0.3
301.07047	100.0
328.70648	0.2
333.96582	0.2
337.16382	1.6
343.08057	1.5
355.17496	2.4
367.07953	0.3
373.18469	0.7
409.09161	0.3
429.18890	0.2
497.48306	0.2
549.12115	0.6
655.23822	0.3
673.13306	0.2
673.24805	6.3
871.36243	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	922.5879
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	30.1
69.03430	4.6
69.07073	19.4
70.83498	3.2
79.05485	7.5
81.03424	9.5
81.07063	57.3
83.08611	8.3
91.05463	8.0
93.07059	28.4
95.08617	56.1
96.32359	4.1
99.08076	5.4
105.07035	31.2
107.08603	58.2
109.02892	7.8
109.10143	89.5
117.07033	7.3
119.08577	55.2
121.10131	48.1
123.11696	31.4
127.03926	15.0
129.06996	5.9
130.40565	4.2
131.08548	9.3
133.10124	26.8
135.11661	5.0
137.13310	4.7
143.08614	6.6
145.10152	28.5
147.11690	84.1
149.13260	16.6
157.10136	23.9
159.11681	33.6
161.13248	20.2
163.14771	5.2
165.12733	27.3
169.10124	8.4
171.11678	25.5
173.13243	33.1
175.14841	8.2
183.11720	9.5
185.13271	17.3
187.14833	24.7
189.16316	5.9
195.11699	7.7
197.13354	7.1
199.14784	15.9
201.16441	15.9
209.13284	5.5
211.14879	15.2
213.16470	5.2
215.17920	4.8
225.16341	19.3
227.17972	6.1
229.14346	17.0
234.48521	3.9
237.16370	16.8
239.17870	7.3
251.18031	6.4
251.27911	5.2
253.19685	6.5
256.39319	5.3
263.18073	5.3
265.19440	7.2
293.22629	6.5
337.16400	16.6
355.17480	16.3
373.18457	8.4
401.31927	47.1
419.33124	100.0
437.34094	17.0
461.33768	28.9
479.35306	98.8
497.36472	34.7
508.45731	4.4
791.50848	32.1
851.53125	39.1
869.52960	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	923.6893
Annotation	Unknow
Peak:m/z	Relative Intensity
65.12088	0.2
69.07064	2.0
70.06603	0.2
79.05494	0.5
90.36520	0.2
96.08125	12.6
97.06509	0.3
98.16704	0.2
113.10764	4.9
114.09159	48.4
115.07530	1.3
116.83556	0.2
124.41457	0.2
132.10196	2.0
160.23697	0.2
172.24236	0.2
208.18111	1.3
209.16478	24.6
210.14922	2.1
226.19102	8.1
227.17516	10.7
228.15924	22.7
245.18533	4.5
321.26566	1.0
322.20990	0.5
322.24844	15.4
323.23355	0.4
339.27545	3.8
340.25873	7.0
341.24332	10.0
358.27032	4.2
434.34961	0.4
435.33282	4.6
436.31415	0.3
452.35913	2.1
453.34384	7.0
454.32755	2.4
471.35425	3.3
548.41931	1.2
566.42712	5.1
567.41199	0.8
584.44000	2.7
679.51068	3.3
680.50439	0.3
697.52557	1.3
792.59485	2.0
810.60059	0.8
905.67731	2.1
923.68958	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.6893
Annotation	Unknow
Peak:m/z	Relative Intensity
65.12088	0.2
69.07064	2.0
70.06603	0.2
79.05494	0.5
90.36520	0.2
96.08125	12.6
97.06509	0.3
98.16704	0.2
113.10764	4.9
114.09159	48.4
115.07530	1.3
116.83556	0.2
124.41457	0.2
132.10196	2.0
160.23697	0.2
172.24236	0.2
208.18111	1.3
209.16478	24.6
210.14922	2.1
226.19102	8.1
227.17516	10.7
228.15924	22.7
245.18533	4.5
321.26566	1.0
322.20990	0.5
322.24844	15.4
323.23355	0.4
339.27545	3.8
340.25873	7.0
341.24332	10.0
358.27032	4.2
434.34961	0.4
435.33282	4.6
436.31415	0.3
452.35913	2.1
453.34384	7.0
454.32755	2.4
471.35425	3.3
548.41931	1.2
566.42712	5.1
567.41199	0.8
584.44000	2.7
679.51068	3.3
680.50439	0.3
697.52557	1.3
792.59485	2.0
810.60059	0.8
905.67731	2.1
923.68958	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.5428
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	0.3
72.39422	0.3
74.56290	0.3
81.07056	0.6
81.10159	0.4
81.28256	0.3
93.07122	0.4
101.06060	0.3
105.07082	0.7
105.40919	0.3
107.08599	0.5
109.10174	0.5
109.14368	0.3
131.08604	0.5
147.11699	0.5
175.11415	0.4
218.19640	0.3
251.11314	1.5
269.12259	4.4
287.13754	0.4
289.63232	0.3
293.12579	0.5
311.13388	5.5
352.66254	0.4
353.15848	1.9
367.17444	1.7
369.19006	1.3
395.16953	1.6
411.16266	12.0
413.17786	10.4
545.59369	0.4
621.32397	1.7
677.04987	0.4
787.50232	0.5
805.24884	0.4
805.52344	0.7
813.48553	0.7
823.53296	0.5
831.50079	7.9
849.51025	4.4
867.50897	0.6
883.55847	0.7
891.52881	1.5
909.53534	3.2
927.54303	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	928.6497
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	18.5
69.07066	19.5
69.82190	3.1
79.05482	15.5
81.07068	36.6
83.08637	3.7
91.05492	3.1
93.07057	16.5
95.08596	31.4
99.08069	5.4
103.20284	2.7
105.07036	19.0
107.08582	28.8
109.06510	5.2
109.10152	48.9
117.07024	4.3
117.48771	2.7
119.08585	20.4
121.10149	18.4
123.11719	5.4
131.08542	19.7
133.10161	17.5
135.11700	13.1
143.08641	11.0
145.10150	21.8
147.11690	19.7
149.13255	7.3
151.07605	3.2
155.08525	4.0
157.10115	18.0
159.11664	27.5
161.09552	3.5
161.13225	15.8
169.10130	11.7
171.11685	14.5
173.13258	16.1
175.11130	5.8
175.14816	19.3
183.11661	12.8
185.13235	12.7
187.11116	4.5
187.14799	17.1
193.10214	3.3
195.11719	6.2
197.13275	5.2
199.14795	5.5
201.16399	4.5
209.13211	7.4
211.14751	11.5
213.12814	5.6
213.16365	5.6
223.14815	7.4
225.16289	3.1
225.90555	3.2
227.17912	4.0
239.17880	10.5
241.15765	3.8
251.17931	4.9
265.19470	3.7
296.93448	3.1
297.22021	4.4
305.22601	4.6
323.23590	14.7
349.25201	18.6
371.25983	24.0
379.26395	3.2
385.26779	3.4
387.25092	3.6
399.29764	3.8
405.31076	4.9
407.33386	3.5
417.31281	13.0
423.32434	6.0
435.32593	47.9
453.33597	100.0
471.34628	21.0
839.57776	4.4
875.59894	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	930.6657
Annotation	Unknow
Peak:m/z	Relative Intensity
65.79124	2.5
65.89395	3.0
67.05501	6.8
69.07060	5.7
72.72504	3.1
74.12041	3.2
79.05477	3.8
81.07060	15.5
88.96047	2.5
91.05479	3.4
93.07059	11.5
95.08603	21.8
105.07028	5.8
107.08600	19.7
108.43365	3.2
109.10140	36.8
114.03657	2.7
116.23906	3.3
119.08599	17.4
121.10135	18.3
131.08586	4.8
133.06456	6.8
133.10139	7.3
135.04369	4.9
135.08044	7.1
135.11664	3.4
145.10118	17.3
147.11659	5.8
149.05984	16.2
149.09602	3.7
151.07558	3.8
155.53999	3.1
157.10167	3.7
159.07959	4.5
159.11717	16.7
161.13214	6.7
169.10143	3.4
171.11687	5.2
173.09642	3.7
173.13269	4.5
175.11151	12.2
175.14857	6.5
187.11131	3.4
187.14841	29.9
198.95364	3.1
201.12863	3.9
201.16420	3.5
205.15906	4.4
215.14365	28.6
233.15407	20.3
355.26550	4.3
371.25815	3.4
375.19882	3.1
389.26758	4.7
395.29486	13.2
417.31723	3.9
435.32602	56.3
453.33597	100.0
471.34488	3.2
757.82855	3.2
812.00818	3.5
841.56885	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	932.6302
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05512	35.4
69.07064	13.0
71.08627	30.0
71.61636	3.1
73.02921	3.6
79.05495	16.5
81.07066	60.1
81.96572	2.5
83.08621	21.3
85.02911	19.6
85.10184	17.2
91.03947	18.2
91.05470	3.8
93.07050	41.8
95.08611	60.1
97.02901	13.1
97.10181	5.7
105.07021	11.4
107.08595	25.7
109.10160	35.8
111.76883	2.7
119.08603	11.4
121.10135	24.2
123.11678	12.0
131.08560	10.3
133.10158	4.5
135.11697	17.9
145.04971	3.4
145.10120	12.2
147.11685	6.5
149.13257	14.1
150.74062	2.8
159.11671	6.5
159.49750	2.9
163.05995	4.4
163.14861	4.6
173.13229	4.9
178.37543	3.1
243.21078	5.2
261.22119	38.4
313.27365	100.0
335.25784	86.9
573.48883	60.1
591.49945	55.2
694.24756	3.3
945.14111	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	937.5376
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01904	0.4
72.04150	0.6
72.04522	10.3
74.06084	2.0
76.05130	39.9
77.83044	0.4
78.26681	0.4
81.07067	0.5
85.02888	0.5
95.08540	0.6
102.05545	4.0
116.76801	0.5
118.05016	20.6
118.18885	0.5
119.08574	0.8
120.06588	2.4
131.09293	2.5
158.05647	1.0
159.08780	3.1
160.07173	38.3
169.06119	0.6
177.09825	100.0
184.07274	0.5
241.02510	0.5
242.18481	0.5
285.11893	2.0
303.13007	2.0
442.57819	0.6
477.65726	0.6
903.47595	0.5
937.53754	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	937.5849
Annotation	MolPort-005-945-918
Peak:m/z	Relative Intensity
67.05498	0.9
69.03428	2.3
69.07083	0.4
69.57652	0.4
69.99670	0.4
71.08639	0.5
73.02928	3.2
79.05492	0.6
81.03445	0.8
81.07076	1.3
85.02899	5.9
91.03957	4.5
93.07045	1.1
95.08595	0.9
97.02905	6.0
97.20353	0.5
99.04490	0.6
101.02357	1.0
105.07026	0.5
109.10137	0.9
115.49683	0.5
127.03951	2.3
185.04205	0.6
203.05208	0.7
235.37355	0.5
240.68817	0.5
243.08492	2.5
313.27563	0.8
335.95120	0.6
337.33176	0.5
347.09647	3.1
365.10599	0.9
405.13483	8.5
497.30750	5.3
519.29303	5.9
659.36102	5.8
681.34479	8.8
775.52124	2.0
937.58502	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5091
Annotation	Dehydrosoyasaponin I
Peak:m/z	Relative Intensity
67.05515	1.0
69.03416	0.8
69.07079	0.9
71.04636	1.0
71.04991	17.6
73.02915	2.4
75.04469	2.6
79.05482	0.9
81.07069	5.4
83.04979	8.5
85.02906	41.1
91.03957	2.8
91.05472	0.9
93.07040	5.8
95.01325	3.8
95.08610	19.2
97.02888	4.9
97.06531	1.3
103.03933	0.9
105.07053	4.4
107.08575	10.1
109.10157	13.8
111.04449	7.1
111.08089	4.2
112.03159	0.6
113.02356	1.0
115.03913	0.9
119.08558	7.5
121.10136	9.7
123.11674	6.8
125.09618	2.3
127.03901	3.1
129.05469	8.7
131.08560	3.9
133.10150	8.2
135.11679	9.6
137.09650	0.7
137.13245	1.4
139.11177	7.3
141.01822	29.9
145.04951	1.3
145.10147	5.0
147.06541	3.4
147.11707	7.7
149.13248	16.0
151.11197	1.2
157.10048	2.2
159.02940	4.1
159.11667	8.8
161.13228	11.9
163.05995	2.7
163.11148	1.3
163.14815	5.7
165.12724	2.5
171.11711	1.0
173.13252	7.0
175.14801	12.9
177.12799	1.3
177.16391	8.5
183.11650	0.9
185.13249	3.5
187.14841	8.7
189.16383	8.6
191.14291	1.2
191.17982	1.4
193.15877	2.4
195.17473	1.3
197.13179	0.7
199.14864	4.9
201.16383	13.4
203.14236	0.9
203.17894	8.3
205.15858	5.1
207.17467	1.3
213.16331	4.3
215.17979	10.3
217.15831	0.9
217.19485	3.5
219.17422	12.2
225.16483	1.4
227.17917	6.7
229.19534	2.7
231.17465	2.8
233.19022	3.1
239.17986	1.0
241.19507	1.4
243.17416	1.0
243.21080	1.0
245.18985	13.1
253.19508	1.0
255.21065	2.1
257.18958	1.2
259.20474	1.4
265.19479	0.7
267.21011	2.3
269.22607	3.6
271.20593	2.3
273.09775	0.9
273.22055	3.9
285.22107	2.5
287.07523	1.1
287.23431	0.8
295.24231	1.3
297.22644	0.6
299.23801	2.6
305.08630	3.5
309.11639	4.0
309.25677	0.6
313.25311	2.3
321.07870	1.1
323.09827	2.0
339.09210	1.1
363.30566	1.2
381.31390	5.1
409.34354	1.4
421.34641	33.9
439.35699	100.0
457.36420	5.7
597.37842	27.4
603.42596	1.4
615.38629	7.0
633.39514	3.4
654.57483	0.6
749.84546	0.7
795.45227	8.3
883.32056	0.7
941.50769	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	943.5251
Annotation	Soyasaponin I
Peak:m/z	Relative Intensity
68.07860	2.7
69.07052	3.0
71.04990	17.3
81.07063	11.9
83.04984	12.6
83.79897	2.6
85.02907	53.9
93.07051	4.3
95.01360	4.0
95.08607	43.3
96.59227	2.7
97.02877	5.5
105.07059	5.4
107.06921	3.5
107.08609	21.0
109.10144	33.7
111.04408	6.2
111.08070	5.5
119.08565	13.8
121.10159	23.5
123.11711	13.5
129.05499	13.4
131.08615	3.4
133.10158	21.5
135.11702	24.1
141.01826	48.5
145.04919	3.1
145.10078	5.9
147.11678	16.7
149.13283	17.5
159.02917	5.1
159.11671	11.8
161.13239	21.7
163.14798	17.4
173.13185	6.9
175.14803	12.8
177.16403	15.0
186.99162	2.7
187.14799	12.1
189.16432	14.1
191.17882	4.9
199.14915	4.1
201.16376	15.8
203.17978	34.3
205.15985	3.6
215.17931	14.3
217.19504	11.4
219.17505	11.8
221.19025	5.5
227.18013	3.4
229.19490	15.6
247.20660	11.4
255.21042	5.7
269.22540	5.8
296.15207	3.4
309.11716	4.5
383.32779	3.6
405.34933	7.0
423.36212	70.1
436.34262	2.8
441.37265	100.0
466.80624	3.0
500.97189	3.3
507.03232	3.7
581.38562	4.4
599.39673	33.7
605.43939	3.8
617.40405	14.9
635.41736	6.5
682.38013	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	943.5248
Annotation	Soyasaponin I
Peak:m/z	Relative Intensity
67.05503	3.0
69.07071	3.0
71.04994	37.6
73.02914	2.8
75.04494	4.4
76.56326	1.2
79.05488	1.7
81.07061	17.6
83.04967	10.3
83.08629	4.8
85.02908	72.4
85.61758	1.2
88.49211	1.3
89.79767	1.2
91.03941	5.2
91.87965	1.2
93.07043	11.3
95.01326	7.5
95.08609	50.1
95.09202	2.7
96.28848	1.4
97.02879	9.0
97.10181	2.5
103.03933	1.8
105.07004	12.2
105.61555	1.2
107.08593	25.5
109.02868	1.4
109.10162	48.9
111.04445	10.7
111.08045	9.3
111.11723	2.5
113.02377	2.1
119.08600	18.7
121.10147	26.4
123.11716	16.5
127.03914	7.3
129.05475	15.7
131.08537	5.0
133.10136	19.2
135.11694	21.6
137.13281	7.9
139.11197	6.0
141.01828	62.1
145.04985	5.1
145.10071	9.7
147.06523	7.1
147.11682	17.7
149.13261	24.8
151.11197	2.0
151.14854	1.6
159.02875	9.9
159.11671	11.3
161.13237	23.0
163.06026	2.5
163.14822	22.1
165.12727	2.0
173.13235	9.9
175.14803	20.8
177.16344	16.7
187.14812	13.9
189.16405	22.7
191.17917	8.6
195.17424	5.0
199.14832	2.1
201.16376	19.4
203.16121	1.5
203.17946	33.4
205.15894	5.0
205.19470	2.1
207.17471	5.2
213.16406	1.6
215.17986	22.6
217.15970	1.7
217.19530	13.6
219.17432	9.8
221.19032	1.8
227.18005	5.0
229.19505	17.9
230.11707	1.4
231.20958	2.2
233.18997	3.0
241.19548	2.9
243.21024	6.5
245.18971	1.8
247.20534	7.1
253.19466	1.8
255.21074	5.2
257.22589	6.4
260.40121	1.3
269.22635	1.9
275.23749	2.0
287.07919	1.5
290.15103	1.3
297.25821	1.5
305.08624	2.8
309.11835	2.3
309.50797	1.6
311.27335	2.1
313.25235	2.5
315.26965	1.7
323.09695	2.3
365.31619	2.1
383.33118	2.6
405.35248	9.9
409.12405	1.5
423.30576	2.7
423.36224	70.4
441.37277	100.0
459.38513	1.9
581.38068	7.4
599.39514	40.8
605.44135	2.2
617.40369	12.6
635.41394	6.1
797.46973	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	944.5583
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05521	4.5
69.03426	3.4
69.07074	5.2
71.01365	1.2
71.04994	44.7
73.02910	3.2
73.32829	0.6
75.04484	5.8
79.05495	1.4
79.95074	0.5
81.03436	1.4
81.06603	1.2
81.07063	21.0
83.04981	23.3
83.08611	5.2
85.02908	100.0
85.06586	0.6
87.04487	1.6
91.03986	0.7
91.05483	1.1
93.07030	7.9
95.01323	3.6
95.04935	0.7
95.08607	46.9
97.02888	10.4
97.10178	4.7
99.04449	2.9
101.06053	1.2
103.03929	3.0
105.07033	4.2
107.08598	16.9
109.02884	2.7
109.10161	31.7
111.04440	20.9
111.08075	1.0
111.11712	2.5
113.02379	1.1
119.08583	12.6
121.10133	29.9
123.11704	21.8
127.03928	7.2
128.98834	0.6
129.05475	38.9
131.08589	5.4
133.10138	11.6
135.11687	22.6
137.13263	24.1
139.11162	1.5
141.01826	40.1
145.04971	9.3
145.10138	6.1
147.06525	18.8
147.11673	9.4
149.13257	25.8
151.14880	0.9
154.77333	0.8
159.02856	11.6
159.11674	7.4
161.13251	16.2
163.05983	4.4
163.14813	12.3
164.09161	1.4
165.07610	1.5
165.12718	1.1
171.06538	1.1
173.13239	6.6
175.14812	13.7
177.03908	1.1
177.16382	17.2
187.14809	6.3
189.16347	11.9
191.17926	14.8
199.14900	1.0
201.16371	10.1
203.17931	16.9
205.15936	1.2
205.19513	15.1
207.17551	1.3
213.07596	0.8
215.17926	11.9
217.19496	9.6
219.17506	3.1
219.21069	1.2
221.18982	2.4
227.17918	1.3
229.19514	15.1
231.08578	1.0
231.21059	3.6
233.19009	5.0
237.07373	0.6
241.19562	1.2
243.21030	3.9
245.22688	1.5
247.20541	5.2
255.08685	3.5
255.21109	1.5
257.22623	7.4
269.06567	2.6
269.22635	5.9
271.24319	0.9
273.09637	7.7
273.22183	1.0
275.23727	3.5
283.24213	1.0
287.07578	7.3
287.23920	0.9
291.10590	0.8
297.25803	1.2
303.07050	0.8
305.08688	14.6
309.11758	21.5
313.28851	0.8
321.08136	9.2
323.09735	17.5
339.09125	1.1
341.10791	1.4
353.31863	2.4
407.36700	24.2
423.35947	0.8
425.37766	93.5
431.11917	1.1
441.37018	1.1
442.37524	2.4
467.14133	1.4
485.14783	2.9
973.91174	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	944.5583
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05521	4.5
69.03426	3.4
69.07074	5.2
71.01365	1.2
71.04994	44.7
73.02910	3.2
73.32829	0.6
75.04484	5.8
79.05495	1.4
79.95074	0.5
81.03436	1.4
81.06603	1.2
81.07063	21.0
83.04981	23.3
83.08611	5.2
85.02908	100.0
85.06586	0.6
87.04487	1.6
91.03986	0.7
91.05483	1.1
93.07030	7.9
95.01323	3.6
95.04935	0.7
95.08607	46.9
97.02888	10.4
97.10178	4.7
99.04449	2.9
101.06053	1.2
103.03929	3.0
105.07033	4.2
107.08598	16.9
109.02884	2.7
109.10161	31.7
111.04440	20.9
111.08075	1.0
111.11712	2.5
113.02379	1.1
119.08583	12.6
121.10133	29.9
123.11704	21.8
127.03928	7.2
128.98834	0.6
129.05475	38.9
131.08589	5.4
133.10138	11.6
135.11687	22.6
137.13263	24.1
139.11162	1.5
141.01826	40.1
145.04971	9.3
145.10138	6.1
147.06525	18.8
147.11673	9.4
149.13257	25.8
151.14880	0.9
154.77333	0.8
159.02856	11.6
159.11674	7.4
161.13251	16.2
163.05983	4.4
163.14813	12.3
164.09161	1.4
165.07610	1.5
165.12718	1.1
171.06538	1.1
173.13239	6.6
175.14812	13.7
177.03908	1.1
177.16382	17.2
187.14809	6.3
189.16347	11.9
191.17926	14.8
199.14900	1.0
201.16371	10.1
203.17931	16.9
205.15936	1.2
205.19513	15.1
207.17551	1.3
213.07596	0.8
215.17926	11.9
217.19496	9.6
219.17506	3.1
219.21069	1.2
221.18982	2.4
227.17918	1.3
229.19514	15.1
231.08578	1.0
231.21059	3.6
233.19009	5.0
237.07373	0.6
241.19562	1.2
243.21030	3.9
245.22688	1.5
247.20541	5.2
255.08685	3.5
255.21109	1.5
257.22623	7.4
269.06567	2.6
269.22635	5.9
271.24319	0.9
273.09637	7.7
273.22183	1.0
275.23727	3.5
283.24213	1.0
287.07578	7.3
287.23920	0.9
291.10590	0.8
297.25803	1.2
303.07050	0.8
305.08688	14.6
309.11758	21.5
313.28851	0.8
321.08136	9.2
323.09735	17.5
339.09125	1.1
341.10791	1.4
353.31863	2.4
407.36700	24.2
423.35947	0.8
425.37766	93.5
431.11917	1.1
441.37018	1.1
442.37524	2.4
467.14133	1.4
485.14783	2.9
973.91174	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	946.8089
Annotation	Unknow
Peak:m/z	Relative Intensity
199.47374	0.9
268.42615	1.1
284.33105	100.0
316.48203	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	948.7176
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07076	1.4
69.23611	0.7
71.08632	15.2
73.06544	5.6
79.14948	0.8
83.08636	0.8
85.10191	9.1
87.04470	9.0
89.06030	44.8
97.10179	1.4
97.29549	0.7
107.07053	0.7
113.85322	0.7
117.09144	2.5
131.07048	0.6
133.08598	15.7
177.11203	7.6
209.43915	0.7
221.13847	1.6
327.20245	0.8
341.34235	4.6
385.36954	2.9
401.65561	0.7
510.98770	0.9
575.30060	1.0
679.41205	1.5
734.74017	0.9
931.68958	18.4
948.71820	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
66.14510	0.5
69.03419	1.0
70.06594	0.8
73.75240	0.5
80.04768	0.5
81.03426	7.3
84.58793	0.5
85.02913	3.2
91.05477	4.5
93.07081	0.8
103.05483	1.0
105.03404	1.1
109.02876	2.7
117.03391	0.6
119.04936	8.0
120.08159	0.7
121.06513	4.2
133.02855	100.0
135.04398	1.2
137.05989	12.0
141.31390	0.6
145.02843	6.3
147.04393	9.0
149.05983	12.0
150.06787	9.0
161.04820	0.6
161.05962	5.1
165.05487	12.9
168.13127	0.6
175.03912	22.0
177.05460	23.1
178.73193	0.6
201.05487	7.3
205.06575	1.2
233.05963	9.2
241.11211	0.7
247.07587	1.2
249.05608	0.7
250.06236	1.5
261.05536	5.1
264.07779	1.1
265.08521	4.2
271.05890	1.0
277.04880	0.7
278.05722	0.6
281.07782	0.7
292.07285	5.9
293.08099	3.8
301.07068	65.9
321.09576	0.8
325.10706	66.9
339.10690	1.4
469.14862	3.8
487.16037	16.4
593.61401	0.7
787.22296	16.6
932.93390	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	951.457
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	12.9
68.99781	3.0
69.03436	24.4
69.07069	13.9
73.02905	3.1
79.05496	4.6
81.03434	23.8
81.07059	23.0
83.08617	3.3
85.02431	3.2
85.02908	39.4
85.30843	2.7
87.00832	21.6
91.05476	4.3
92.20919	4.4
93.07018	13.7
95.08611	35.5
97.02916	20.1
99.04441	11.3
100.58235	2.0
105.01855	12.9
105.07038	14.7
107.08607	29.4
109.02885	39.1
109.06500	2.4
109.10156	48.4
114.72779	2.6
119.08576	27.3
121.10145	18.1
123.11710	4.7
127.03918	51.4
129.01857	2.4
129.07042	3.1
131.08559	4.7
133.02840	28.0
133.10109	16.2
134.03262	4.0
134.64563	2.5
135.08130	2.7
135.11722	11.5
143.08586	11.6
145.04968	4.9
145.10112	23.9
147.11678	20.3
149.13248	10.0
155.08562	9.7
157.10126	20.9
159.02896	17.0
159.11691	19.6
161.13272	15.3
169.10115	17.0
171.02959	2.8
171.11710	16.3
173.13235	11.0
175.11240	2.3
175.14745	5.1
177.12753	2.8
181.10190	4.2
183.11742	17.7
185.13252	14.1
187.14835	12.6
189.16370	2.7
193.10057	2.5
195.11694	11.7
197.13206	13.6
199.14801	5.2
201.16357	4.1
201.50562	2.5
201.74948	2.6
209.13249	9.3
211.14719	5.2
213.16331	4.0
221.13159	3.8
223.14854	13.8
225.16338	12.6
227.17972	5.9
235.14836	9.9
237.16226	16.7
239.17966	13.1
241.19682	2.6
251.17897	10.1
253.19589	18.6
257.18994	3.4
261.16525	2.5
263.17999	3.6
265.19434	10.3
267.21042	4.4
275.17734	3.2
277.19611	2.9
279.21017	4.2
291.21048	5.1
292.21902	4.5
293.22601	5.1
301.07047	9.5
302.07556	4.6
309.22165	4.6
319.24268	3.4
325.10770	5.3
326.11121	5.8
345.25735	4.0
401.32123	36.8
419.28253	3.9
419.33038	80.6
437.34082	36.7
455.35428	9.0
649.36548	5.2
667.38495	58.6
685.39404	100.0
703.40173	6.0
743.83539	3.3
834.91504	2.8
915.41803	3.4
933.44580	28.6
951.45807	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	951.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	11.5
67.21237	1.3
68.99801	2.1
69.03435	22.3
69.07064	10.8
71.04991	2.2
73.02929	6.2
79.05488	2.2
81.03425	27.4
81.07077	18.7
83.08614	2.7
85.02914	37.1
87.00854	13.3
88.14175	1.4
90.01519	1.4
91.05472	7.3
93.07047	16.6
95.08616	29.0
97.02897	21.8
97.10174	2.7
99.04448	17.1
105.01865	11.1
105.07024	16.0
107.08621	26.5
107.54079	1.5
109.02890	39.1
109.10157	44.7
111.08111	1.6
117.06985	2.1
119.08585	21.6
121.10133	20.1
123.11697	7.3
125.09566	2.2
127.03915	48.4
129.01862	3.5
131.08574	7.8
133.10141	18.2
135.11673	9.0
137.13358	1.5
138.33061	1.5
143.08572	6.8
145.04970	10.0
145.10136	16.7
147.11661	16.1
149.13271	10.1
150.54562	1.6
155.08553	6.7
157.10135	15.3
159.02933	12.6
159.11685	20.5
161.09631	1.6
161.13263	10.7
163.14774	1.9
169.10147	12.8
171.11697	14.6
173.13269	13.2
175.14795	8.0
177.16409	3.2
181.10121	2.3
183.11642	14.5
185.13316	11.7
187.14764	9.0
188.76144	1.7
189.16422	2.3
193.10115	2.1
195.11682	8.1
197.13228	11.8
198.13893	1.5
199.14839	9.7
201.16481	3.5
207.11671	2.2
209.13272	11.8
211.14841	10.7
212.94930	1.7
213.03973	2.6
213.16371	10.5
215.14404	1.7
215.17952	1.8
217.15677	1.8
221.13254	6.3
223.14806	7.3
225.16391	8.2
227.17914	6.8
231.04936	2.3
233.13136	1.7
235.14830	8.6
237.16370	14.9
237.74034	1.6
239.17946	11.3
241.19472	3.8
249.16338	6.5
251.17963	10.1
252.18732	3.2
253.19434	18.5
261.16373	2.3
263.18033	3.1
265.19443	9.7
267.21066	7.4
275.17877	2.9
277.19595	6.5
279.21088	8.0
283.20584	1.7
289.19446	2.1
290.20422	1.8
291.21057	10.7
292.21823	8.8
293.22635	9.7
305.22510	2.6
308.21484	1.9
309.22174	3.2
317.22696	2.1
319.24066	1.8
345.25674	2.8
346.06458	1.8
361.28775	2.3
401.31952	41.9
403.33502	3.2
419.33124	80.3
437.34183	36.2
455.35132	3.4
522.42682	1.6
641.36121	1.9
649.37311	4.4
667.27563	2.8
667.38422	69.9
685.39447	100.0
703.40131	16.3
832.90601	2.0
915.43103	7.9
933.44702	37.5
951.45648	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	953.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
66.28878	3.5
67.05498	9.7
69.03440	22.7
69.07069	14.6
71.04980	3.8
72.00163	3.7
79.05505	4.7
81.03416	6.9
81.07066	26.9
83.08611	4.4
85.02898	33.3
87.00840	7.3
90.79691	3.6
93.07024	6.3
95.08599	55.4
97.02888	26.9
99.04449	4.4
105.01897	21.5
105.07037	24.2
107.08603	37.1
109.02900	17.7
109.10164	71.2
119.08581	37.9
121.10147	20.8
123.11730	5.5
127.03918	35.5
131.08580	6.6
133.10139	24.9
135.11703	10.3
137.13220	5.2
143.08592	17.5
145.04984	8.3
145.10165	29.0
147.11661	21.8
149.13268	8.6
157.10167	18.0
157.42842	4.8
159.11687	22.3
161.13260	26.8
163.14850	6.8
169.10103	9.7
171.11699	24.6
173.13269	22.4
175.14847	9.2
183.11671	9.1
185.13239	16.7
187.14827	21.1
189.16345	5.6
199.14893	8.0
201.16422	20.2
203.17944	4.6
209.13261	4.3
210.45470	4.0
211.14862	7.5
213.16315	6.5
215.17903	6.4
225.16449	7.8
227.17938	8.8
231.04916	7.3
239.17935	8.7
241.19638	6.6
243.21254	8.3
251.17747	7.8
265.19519	7.0
267.20990	37.1
290.59103	5.2
293.22580	17.8
295.24399	8.1
308.71057	4.0
347.27542	7.4
365.28326	5.5
403.33615	61.0
419.33035	6.1
421.34607	100.0
439.35526	28.7
449.38699	4.7
482.58923	4.9
548.92340	5.4
651.39166	8.0
669.39899	49.9
687.40735	29.7
917.43506	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	954.521
Annotation	Unknow
Peak:m/z	Relative Intensity
69.52792	0.7
106.87455	0.7
120.25792	0.7
136.46741	0.8
170.80351	0.8
199.84569	0.8
255.71184	0.9
307.28998	0.9
319.08344	1.8
334.10699	4.3
424.16281	0.9
442.19894	12.9
469.18723	69.5
472.17438	9.7
473.18079	1.3
487.19724	3.2
490.36984	0.8
499.15558	0.9
501.21310	37.4
502.21973	3.0
509.17963	1.8
513.17596	9.5
519.21722	1.1
541.20697	5.2
573.23267	5.3
588.25793	100.0
600.21814	1.7
615.24469	9.2
643.24097	8.7
647.27130	5.7
675.26642	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	954.5221
Annotation	Unknow
Peak:m/z	Relative Intensity
66.90647	0.7
76.88266	0.7
90.90884	0.8
92.20901	1.1
136.65474	0.8
153.00192	0.9
258.84229	0.8
264.92981	1.0
324.12872	0.9
325.64966	0.9
378.96811	0.8
414.16769	4.7
428.18402	11.4
441.18802	1.2
442.20016	16.0
443.20697	8.7
469.18713	34.5
470.19217	1.9
472.17261	3.3
496.18024	1.0
498.36670	0.9
501.21265	10.0
502.21808	1.1
509.18063	1.3
513.17682	28.5
514.17639	1.1
525.21008	8.4
541.20367	1.0
557.23950	87.8
565.21082	1.1
572.21167	1.2
587.21521	3.4
588.25824	23.2
600.22211	4.2
601.22717	3.5
615.24561	22.7
643.24011	21.9
675.26617	100.0
708.34918	1.0
907.99872	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	954.6139
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	56.7
69.07057	14.5
74.19937	3.4
79.05486	35.8
81.07058	75.0
83.08631	14.4
85.02893	20.9
85.06553	3.4
91.03966	6.7
91.05479	21.4
93.07040	44.5
95.08605	63.5
97.02893	3.6
97.10205	3.2
105.07036	21.0
107.08597	34.6
108.05137	3.4
109.10172	26.3
117.07033	6.4
119.08575	19.9
121.10151	30.5
123.11726	8.2
124.26507	3.7
127.03840	4.1
131.08578	14.2
133.10109	15.6
135.11700	16.3
145.04929	3.9
145.10149	16.1
147.11702	7.8
149.13261	15.0
159.11697	6.6
161.13222	15.1
163.06052	6.8
163.14801	4.7
173.13344	5.7
175.14931	3.9
185.13286	3.6
187.14937	4.0
200.27365	3.9
224.72382	3.5
259.20499	7.8
261.22040	26.6
333.24081	11.3
335.25787	78.8
337.27222	6.2
595.47504	33.4
613.48383	100.0
944.50299	3.7
962.34637	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	955.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	1.4
67.62068	0.3
68.16574	0.3
69.03431	15.3
69.07056	1.4
71.04991	6.0
73.06551	0.7
81.07072	1.8
82.24211	0.3
83.04991	0.7
83.08621	1.3
85.02901	0.4
85.06548	3.4
86.83234	0.3
91.05462	0.4
93.07035	1.7
95.08606	2.5
96.05881	0.3
97.02891	100.0
97.06498	0.4
97.09621	0.4
97.10159	3.9
105.07008	0.7
105.85375	0.3
107.08598	8.8
109.02914	0.3
109.10152	6.2
119.08567	1.4
121.02829	0.3
121.10140	1.5
123.11697	1.5
125.09635	13.7
127.11178	1.7
131.08592	0.8
133.10136	1.6
135.11717	1.5
137.02319	2.9
139.03885	3.4
141.01944	0.5
141.03246	0.4
141.12755	0.4
143.08556	0.6
143.10672	21.6
145.10150	1.5
147.11702	2.6
149.13266	0.7
157.04956	11.1
157.10126	1.6
159.11668	1.8
161.13243	0.6
165.01852	3.8
171.11690	1.6
173.13295	0.8
175.14822	1.4
183.02873	7.1
183.11652	0.4
185.13257	2.2
187.14818	1.6
189.16415	0.4
197.13303	0.5
199.14832	1.3
201.03955	2.3
201.12766	0.4
201.16347	1.3
211.14728	0.4
213.16393	0.7
243.04974	5.9
253.19489	0.8
293.22586	0.4
303.07101	2.6
401.32224	0.5
419.33090	5.3
437.34238	8.1
455.35278	3.3
616.54254	0.4
739.40393	2.6
757.41180	1.4
955.77954	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	956.484
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	2.1
69.03429	4.7
71.04989	4.6
73.02897	2.7
78.24679	2.2
79.05503	2.5
81.07061	8.2
83.04984	4.4
85.02921	24.5
93.07032	4.9
94.51180	1.9
95.08601	18.4
97.02895	11.3
105.07032	4.3
107.08593	11.5
109.10172	17.9
111.04436	2.8
115.03922	10.9
119.08575	4.7
121.10172	4.5
123.11694	1.7
129.05528	3.8
131.08586	2.7
133.10130	11.9
135.11710	11.9
141.01846	23.0
144.04259	2.0
145.10132	2.9
147.06635	2.0
147.11687	11.9
149.13300	7.1
157.10152	3.3
157.66953	2.1
159.03001	2.5
159.11703	10.5
161.09639	8.1
161.13237	9.7
169.10011	2.5
171.11717	4.1
173.13281	12.8
175.11201	4.0
175.14818	3.9
177.16402	3.9
185.13281	3.1
187.11218	3.2
187.14815	12.8
189.09099	8.8
189.16394	9.4
191.49236	2.1
197.13226	4.2
199.11197	3.9
199.14888	8.0
201.16428	9.5
203.10564	3.3
203.18011	2.5
207.10197	9.4
209.13309	2.1
215.10648	17.2
215.14232	4.9
221.11757	8.1
225.12674	3.1
225.16209	2.6
229.19519	2.8
233.11743	23.6
237.16263	2.6
243.13774	25.1
247.13135	2.1
251.17865	2.8
255.13673	2.4
261.14880	22.7
267.21115	4.9
273.14758	3.4
299.16507	2.5
323.09753	2.8
327.89899	2.2
365.30542	2.3
375.30740	2.9
409.27374	9.7
419.33328	6.1
431.29117	3.5
437.29724	4.5
437.34790	4.0
449.30600	46.5
455.35483	2.8
467.31564	100.0
485.32556	16.4
625.33551	24.4
631.38062	3.7
643.34906	16.0
655.38782	3.9
661.35907	4.6
703.75391	2.6
789.05402	2.3
914.61743	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	957.5041
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03410	0.5
71.01354	0.5
71.05000	6.3
72.94231	0.5
73.02943	0.7
81.07052	4.3
83.04984	4.0
83.08638	1.1
85.02911	14.8
89.00802	0.5
89.09193	0.5
90.97112	0.5
91.03903	0.5
91.50782	0.6
91.90488	0.6
93.07043	2.3
95.01308	1.8
95.04965	0.6
95.08611	5.9
97.02878	0.9
104.46311	0.5
105.07047	2.8
107.08605	5.1
109.06528	0.8
109.10168	5.9
111.04466	2.3
111.08109	0.5
119.08572	5.3
121.06537	0.8
121.10152	5.2
123.08063	1.0
123.11703	3.1
123.64883	0.5
129.05493	2.6
131.08578	1.2
133.10130	8.8
135.08054	1.1
135.11682	5.6
137.09651	2.1
137.13235	0.6
138.05460	0.8
141.01822	9.9
145.10138	3.3
147.06517	0.9
147.11684	6.6
149.09639	0.7
149.13286	5.5
151.11226	0.9
157.10097	1.1
159.02901	1.0
159.11703	2.6
161.13213	4.3
163.11198	0.7
163.14792	3.2
165.12794	0.7
171.11674	1.8
173.13261	5.6
175.11234	1.6
175.14806	10.6
177.09917	0.6
177.12703	0.8
177.16379	4.2
179.14175	0.6
185.13248	1.0
187.11130	0.6
187.14815	6.7
189.16388	10.7
191.14256	2.1
197.13200	0.6
199.14844	2.1
201.16411	2.5
203.14302	2.2
203.17973	4.9
205.15918	3.2
207.17352	0.5
209.13268	0.6
211.14764	1.2
213.16376	3.1
215.14334	2.4
215.18037	0.5
217.16016	1.7
225.16429	0.7
227.17923	1.0
229.15820	2.0
229.19382	0.8
231.17438	8.5
233.15341	2.1
235.17105	0.5
239.18243	0.6
243.17407	0.9
245.04137	0.5
245.19022	2.8
247.16930	0.8
249.16214	0.6
249.18564	3.3
250.79666	0.5
257.18964	0.8
261.18402	0.7
265.19257	0.6
273.09641	0.6
275.19916	0.9
283.20554	2.1
285.22086	2.0
289.21643	1.0
297.22168	0.6
303.23215	1.2
311.23694	0.6
325.25403	0.9
329.24432	0.8
343.26489	0.7
358.04276	0.5
379.30026	2.0
397.31186	0.6
401.31702	0.8
407.33264	1.2
419.32822	5.0
425.34018	6.7
437.34201	27.1
455.35181	100.0
473.36267	48.7
580.23297	0.7
601.01941	0.5
601.41583	0.7
613.37292	10.2
619.41919	5.5
631.38385	16.3
649.39374	11.7
811.44604	1.0
957.51575	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	957.5043
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	3.3
69.03419	1.4
69.07064	2.1
71.04996	23.4
73.02907	3.3
74.08820	1.2
75.04485	1.7
79.05499	1.8
81.07058	15.6
83.04983	14.7
83.08595	2.0
84.04416	1.6
85.02908	63.7
91.03957	3.3
93.07045	7.3
95.01311	6.6
95.08604	34.0
95.74556	1.4
97.02885	7.8
97.10181	1.4
99.08134	1.6
103.03923	2.2
103.61183	1.6
105.07029	8.6
107.08593	19.7
109.10158	43.9
111.04427	10.2
111.08084	6.6
113.02345	2.2
119.08588	14.0
121.10150	18.3
123.11700	10.5
125.09605	2.0
127.03939	5.9
129.05447	14.7
131.08534	1.5
133.10118	15.4
135.11676	17.9
137.13281	2.3
141.01823	46.3
145.04996	2.9
145.10114	8.4
147.06517	5.8
147.11671	14.2
149.13251	14.5
153.12482	1.3
157.10147	6.6
159.02882	8.3
159.11632	12.3
161.13260	15.1
163.05980	2.2
163.14841	8.4
169.10059	2.2
171.11624	5.5
173.13242	12.9
175.14818	13.2
177.12808	1.9
177.16354	9.9
183.11613	2.3
185.13277	5.6
187.14815	8.3
189.12738	8.7
189.16389	12.9
191.14384	1.9
191.17859	2.4
197.13187	2.8
199.14824	6.1
201.12654	10.7
201.16380	11.8
203.14267	8.4
203.18005	5.4
203.63005	1.4
205.15895	5.7
207.17497	5.6
209.15311	1.9
211.14769	1.6
213.16315	8.8
215.14267	5.4
215.17953	5.9
217.15848	6.3
219.17432	5.7
221.15388	8.5
223.14743	1.7
225.16347	1.6
227.14291	2.7
227.17937	2.0
231.17389	15.8
237.16383	2.3
237.18500	2.5
239.17978	2.4
241.15787	9.4
241.19717	1.5
243.17328	2.9
249.18402	10.3
251.17865	2.7
253.13704	1.5
257.18961	10.1
259.16846	2.4
261.18509	15.0
273.18320	1.8
285.22018	1.7
289.21704	3.3
301.21732	1.9
305.08548	6.1
307.36249	1.5
309.11703	2.9
309.21918	1.5
313.21399	1.6
329.24765	2.1
345.41049	1.5
379.29916	1.8
397.30933	3.1
419.33017	8.1
437.34125	54.4
455.35220	100.0
473.36148	7.7
595.35876	6.4
613.37427	25.7
631.38391	10.1
649.38666	2.2
811.43555	7.4
957.54346	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	957.5051
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	3.2
69.07053	4.9
71.04988	29.2
75.04494	3.8
81.07050	14.5
83.04979	13.9
85.02911	86.9
90.77757	3.3
91.03941	5.1
93.07050	13.3
95.01331	14.2
95.08612	44.3
97.02896	7.7
105.07045	5.5
107.08593	20.9
109.10138	28.6
111.04464	4.8
111.28030	3.1
119.08583	18.5
121.10167	18.8
123.11682	13.5
129.05492	14.6
133.10156	18.8
135.11707	20.2
141.01836	73.8
145.10097	14.9
147.06537	3.8
147.11687	14.2
149.13283	7.9
157.04709	3.4
159.02910	13.7
159.11694	6.6
161.13315	13.8
163.14850	6.2
173.13232	14.0
175.14830	5.3
177.16457	5.2
187.14799	7.5
189.16367	19.0
201.16373	6.9
203.17990	14.9
205.15901	4.8
215.17949	4.6
219.17532	7.4
229.19534	6.5
243.21152	4.0
261.18417	12.8
305.08621	5.1
409.34872	4.2
422.32162	3.6
423.36304	23.7
437.34116	45.7
441.37173	21.9
455.35190	100.0
586.49054	3.9
613.37207	20.6
631.38110	6.4
631.73230	3.6
811.43872	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	959.5195
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	8.0
68.06480	1.5
69.07060	2.9
70.06602	1.6
71.04995	25.4
73.02901	6.6
75.04481	2.0
79.05499	2.5
81.07063	26.3
83.04987	14.1
83.08586	1.7
85.02908	77.0
91.03954	3.4
92.20976	2.0
93.07042	14.4
95.01332	8.6
95.08602	48.2
97.02913	8.9
97.06544	3.1
97.10172	1.8
99.00791	1.7
103.03942	2.0
105.07056	15.0
107.08591	31.4
109.10159	49.0
111.04433	12.1
111.08086	8.9
119.08588	25.2
121.10133	27.3
123.11667	14.7
125.09612	6.9
127.03913	6.1
129.05460	17.5
131.08556	3.0
133.10124	25.2
133.83798	2.0
135.11682	24.3
137.13231	3.0
141.01828	51.3
145.04924	3.0
145.10130	16.2
147.06435	3.0
147.11687	24.4
149.13246	24.5
151.11182	1.9
157.10098	7.3
159.02847	6.9
159.11679	23.2
161.13245	32.4
163.06073	2.7
163.14803	21.1
171.11685	10.4
173.13264	18.4
175.14778	18.4
177.16338	17.1
183.11636	2.1
183.98245	1.7
184.61086	1.7
185.13327	6.4
187.14888	16.9
189.16376	18.4
191.14291	3.2
191.17935	3.5
193.12207	2.6
193.15823	3.2
199.14827	6.5
201.16425	20.9
203.17900	18.3
205.15869	11.0
205.19476	1.9
213.16351	8.6
215.17920	16.3
217.15891	3.0
217.19519	9.6
219.17401	9.9
221.15396	1.9
221.18944	2.3
223.16763	2.4
227.17900	6.9
231.17625	1.9
233.18994	4.1
245.19066	6.4
245.35143	1.8
248.17033	1.7
255.20984	1.8
259.20682	1.9
305.08478	2.3
309.11835	2.1
381.31415	2.9
395.04050	2.4
399.32584	4.1
403.33936	2.6
409.34360	3.0
421.34637	31.1
427.35593	3.8
439.29776	3.7
439.35672	100.0
457.36703	75.9
579.36725	3.0
597.37659	10.0
615.38812	25.1
633.39508	10.0
651.40607	3.2
785.94458	2.0
788.64001	2.4
813.45709	10.2
829.17438	1.9
959.50537	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	959.5195
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	8.0
68.06480	1.5
69.07060	2.9
70.06602	1.6
71.04995	25.4
73.02901	6.6
75.04481	2.0
79.05499	2.5
81.07063	26.3
83.04987	14.1
83.08586	1.7
85.02908	77.0
91.03954	3.4
92.20976	2.0
93.07042	14.4
95.01332	8.6
95.08602	48.2
97.02913	8.9
97.06544	3.1
97.10172	1.8
99.00791	1.7
103.03942	2.0
105.07056	15.0
107.08591	31.4
109.10159	49.0
111.04433	12.1
111.08086	8.9
119.08588	25.2
121.10133	27.3
123.11667	14.7
125.09612	6.9
127.03913	6.1
129.05460	17.5
131.08556	3.0
133.10124	25.2
133.83798	2.0
135.11682	24.3
137.13231	3.0
141.01828	51.3
145.04924	3.0
145.10130	16.2
147.06435	3.0
147.11687	24.4
149.13246	24.5
151.11182	1.9
157.10098	7.3
159.02847	6.9
159.11679	23.2
161.13245	32.4
163.06073	2.7
163.14803	21.1
171.11685	10.4
173.13264	18.4
175.14778	18.4
177.16338	17.1
183.11636	2.1
183.98245	1.7
184.61086	1.7
185.13327	6.4
187.14888	16.9
189.16376	18.4
191.14291	3.2
191.17935	3.5
193.12207	2.6
193.15823	3.2
199.14827	6.5
201.16425	20.9
203.17900	18.3
205.15869	11.0
205.19476	1.9
213.16351	8.6
215.17920	16.3
217.15891	3.0
217.19519	9.6
219.17401	9.9
221.15396	1.9
221.18944	2.3
223.16763	2.4
227.17900	6.9
231.17625	1.9
233.18994	4.1
245.19066	6.4
245.35143	1.8
248.17033	1.7
255.20984	1.8
259.20682	1.9
305.08478	2.3
309.11835	2.1
381.31415	2.9
395.04050	2.4
399.32584	4.1
403.33936	2.6
409.34360	3.0
421.34637	31.1
427.35593	3.8
439.29776	3.7
439.35672	100.0
457.36703	75.9
579.36725	3.0
597.37659	10.0
615.38812	25.1
633.39508	10.0
651.40607	3.2
785.94458	2.0
788.64001	2.4
813.45709	10.2
829.17438	1.9
959.50537	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	959.5201
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	6.3
67.13486	1.5
69.03439	1.9
69.07061	6.7
71.04995	42.4
73.02925	5.9
75.04495	3.3
79.05498	2.8
81.07063	32.7
83.04982	16.8
83.08604	2.7
85.02905	97.9
87.04497	1.5
91.03947	7.4
91.05478	3.3
92.21513	2.3
93.07046	15.6
94.93904	1.4
95.01328	8.1
95.08602	49.5
97.02885	13.0
97.06529	2.0
97.10157	6.0
99.00780	1.6
101.55752	1.4
103.03935	2.7
105.07034	23.1
107.08591	35.0
109.06512	7.4
109.10159	42.6
111.04431	15.7
111.08071	21.9
113.02357	2.7
115.04009	1.4
119.08566	25.5
121.10143	41.4
123.08086	1.4
123.11691	18.4
125.09604	3.2
127.03893	8.0
128.11446	1.4
129.05476	20.0
129.10248	1.6
129.78934	1.3
131.08536	8.7
133.10123	27.6
135.11685	44.2
137.13248	2.5
139.11169	8.5
141.01826	56.8
141.02924	2.0
143.08482	1.6
145.04941	7.4
145.10107	26.8
147.06526	9.5
147.11685	32.5
149.13281	25.7
151.11150	2.0
157.10126	6.7
159.02867	9.6
159.11688	32.2
161.13245	36.0
163.06013	7.1
163.11185	2.9
163.14847	17.5
165.12807	2.1
171.11679	5.7
173.13245	20.2
175.14824	38.7
177.03888	2.2
177.12776	3.6
177.16373	24.3
179.14369	2.0
181.05049	1.5
185.13258	3.7
187.14816	28.7
189.16402	42.8
191.14339	2.7
191.17932	67.1
194.52031	1.3
197.13200	2.1
199.14749	11.1
201.16351	29.2
203.17931	15.1
205.15877	21.8
207.17451	10.6
211.14804	2.4
213.16409	11.9
215.17953	28.7
217.15880	6.6
217.19424	11.7
219.17436	20.8
221.19080	2.6
227.17993	7.9
229.19518	7.2
231.17415	10.1
233.18967	13.6
235.16988	2.1
241.19412	3.3
243.21022	1.6
245.19032	3.4
247.20535	1.6
249.18477	12.8
253.19499	3.2
255.20964	1.9
257.18881	1.7
269.06531	1.7
269.22620	2.9
271.20691	2.7
273.09711	1.9
281.22537	2.3
285.21872	1.8
287.07593	2.1
295.24182	1.9
305.08759	6.4
309.11734	6.7
323.09723	2.8
350.60413	1.5
363.30405	2.0
367.30206	3.1
381.31451	3.5
391.33688	1.9
403.33926	4.6
421.34631	60.3
423.36072	3.3
432.38333	1.7
439.35715	83.1
441.37436	2.8
457.36728	100.0
475.37744	31.7
579.36493	2.5
597.37714	16.6
612.78857	1.7
615.38965	30.6
621.43280	2.0
633.39716	11.6
651.40802	15.5
740.23535	1.6
804.11707	1.8
813.46332	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	960.5154
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	22.1
69.03426	9.0
69.07076	17.1
70.33722	1.7
73.02914	2.3
74.12206	1.5
79.05494	6.7
81.03413	9.8
81.07059	32.6
83.08624	3.4
85.02907	36.0
85.15261	1.8
87.00821	15.6
87.51656	1.7
91.05489	6.7
93.07027	17.9
95.04999	2.0
95.08607	48.5
97.02879	13.7
97.10165	3.7
99.04456	7.4
99.08085	1.8
105.01874	19.7
105.07043	23.9
107.08603	37.7
109.02882	11.7
109.10159	94.0
117.07030	3.1
119.08578	42.7
121.06523	3.3
121.10145	32.2
123.08070	3.4
123.11680	15.8
127.03912	31.7
129.01816	2.4
129.47284	1.7
129.70621	1.7
131.08563	16.0
133.10132	30.4
135.08078	9.7
135.11676	12.1
137.09641	1.9
137.13252	2.6
143.08588	10.1
145.04956	9.7
145.10123	40.5
147.07910	2.2
147.11688	27.8
149.13223	15.4
155.08543	3.1
157.10130	23.2
159.02882	10.6
159.11661	33.7
161.09593	3.6
161.13271	20.5
163.11215	2.9
163.14804	7.1
169.10103	14.4
171.11658	30.9
173.13240	31.9
175.11140	2.6
175.14822	19.3
177.12886	2.7
181.10153	2.0
183.11667	7.7
185.13217	21.6
187.14827	24.9
189.16377	11.3
195.11667	8.7
197.13303	11.3
199.14832	15.9
201.12741	2.2
201.16437	10.8
203.17859	2.6
209.13260	8.0
211.14827	11.3
213.16383	14.8
215.14380	2.3
215.17949	9.9
217.15846	6.3
221.13304	6.7
223.14824	9.2
225.16409	12.0
227.17923	10.3
231.04988	10.3
231.17381	3.1
235.14738	6.5
237.16330	18.9
239.17841	14.4
241.19489	7.3
245.19060	2.7
249.06096	11.1
249.16432	3.6
251.17987	11.5
253.19507	16.5
265.19434	7.6
267.21072	3.4
277.19397	2.2
279.21091	2.6
281.22586	3.6
291.21048	3.9
293.22455	3.8
319.24362	3.5
321.25827	2.5
331.24243	2.1
340.77753	1.8
345.25754	2.5
361.28891	3.4
391.33316	2.8
393.10587	1.8
401.32034	47.7
411.11331	3.2
419.33105	100.0
437.34128	19.9
461.34219	22.1
479.35217	92.0
497.36395	43.3
623.38330	2.0
649.37177	3.8
667.38300	24.5
685.39319	10.4
727.40295	21.7
745.41553	35.9
829.43195	10.5
847.44360	4.1
889.46594	13.9
907.46570	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	964.5465
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	2.1
69.03439	5.0
69.07061	2.9
71.01388	0.4
71.04594	0.5
71.04995	14.8
73.02924	4.4
73.06553	2.3
79.05495	1.8
81.07060	5.1
82.10336	0.5
83.04965	2.5
83.08620	5.2
85.02907	8.4
85.06539	10.2
91.05463	0.7
93.07037	1.8
93.38973	0.5
95.08620	6.0
97.02886	7.8
97.06535	1.0
97.10175	12.1
98.38818	0.5
99.08115	0.6
99.13253	0.4
101.88804	0.4
105.07011	2.7
107.08593	29.2
109.10159	11.1
111.08128	0.6
115.03946	4.2
117.07063	0.6
119.08589	4.4
121.10156	5.0
123.11699	13.9
125.09623	43.9
127.03909	2.4
127.11186	6.4
129.07030	0.6
131.08562	3.1
133.05000	0.6
133.10094	4.3
135.11678	3.3
137.13284	1.7
139.11211	0.7
141.12741	17.1
143.08670	2.3
143.10674	100.0
145.04938	1.1
145.10118	5.6
147.11703	7.2
149.13257	3.1
151.11166	0.6
155.08578	0.7
157.10101	3.2
159.11674	6.6
161.13216	4.9
161.41679	0.5
163.14772	1.1
169.10095	1.1
171.11664	4.5
173.13252	6.5
175.11198	0.9
175.14825	2.5
181.10143	0.6
181.15836	0.7
183.11670	3.1
185.13266	9.5
187.14822	4.3
189.12743	2.2
189.16431	0.8
191.14377	0.7
195.11650	0.7
197.13229	3.1
199.14761	4.3
201.12804	0.8
201.16331	3.3
203.14369	2.2
203.18062	0.6
209.13264	2.1
211.14757	2.6
213.16365	2.2
213.71278	0.5
215.14465	0.5
215.18002	4.1
217.15863	1.1
223.14746	1.9
225.16380	2.8
227.17943	2.2
229.15849	0.7
231.17517	0.9
235.14850	0.6
237.16367	3.0
239.17909	2.3
241.06961	0.5
241.19518	0.8
243.17493	1.8
249.16371	0.6
251.17935	1.1
253.19542	2.0
255.17575	0.9
257.19095	0.7
265.19714	1.6
267.21118	1.0
269.18967	0.9
277.19394	0.6
279.21057	4.1
283.20676	0.5
291.20923	0.6
293.22690	0.8
295.10300	4.0
295.24103	1.0
297.22037	9.3
305.22794	0.5
307.61191	0.5
311.23798	0.9
315.23303	4.9
325.11243	1.0
333.25500	1.1
337.25583	0.6
401.32034	2.0
419.33026	12.3
437.34128	37.1
455.35172	36.5
455.41644	1.1
473.36197	12.7
491.37137	0.9
527.89154	0.5
545.71027	0.5
547.52155	0.5
569.38593	1.0
587.39343	2.1
598.60999	0.5
599.39740	0.7
617.40570	1.0
749.45459	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	21.1
68.11530	2.7
69.03445	5.8
69.07059	4.8
69.10320	3.6
79.05526	5.3
81.03418	5.7
81.07082	28.1
83.90730	2.9
85.02913	20.8
87.00845	3.7
93.07047	19.6
95.08607	39.8
97.02882	7.4
98.47771	2.9
99.04491	4.0
101.09300	2.9
105.01868	7.6
105.07030	17.6
107.08579	24.8
109.02888	6.6
109.06514	3.2
109.10159	58.7
119.08604	25.3
121.10155	21.6
123.11721	5.9
127.03921	16.4
131.08556	5.5
133.10124	20.0
135.08046	3.5
135.11728	6.6
143.08525	3.7
145.10121	20.5
147.11700	17.5
149.13255	7.1
157.10120	5.8
159.11691	20.8
161.13301	7.4
169.10034	5.2
171.11697	14.7
173.09639	7.5
173.13284	5.1
174.18900	3.0
175.11185	4.5
175.14818	25.2
183.11726	13.2
185.09471	3.4
185.13235	4.5
187.11200	5.3
187.14795	22.2
195.11607	3.7
197.13274	3.8
199.11191	4.6
201.12738	5.1
209.13266	3.4
211.14845	3.3
213.12712	4.5
215.14238	4.1
223.14853	7.0
225.16434	7.4
231.04845	3.7
237.16411	3.0
239.14275	3.9
241.15851	5.0
241.19458	3.8
243.17375	3.8
251.17946	5.3
267.17368	5.4
269.19107	3.4
271.00574	3.1
281.19128	3.8
287.59558	3.3
309.21939	3.7
320.94067	3.2
397.27432	4.9
399.30325	4.2
417.31323	23.5
435.32553	64.1
453.33649	66.6
549.74823	3.3
569.45380	3.3
607.21698	3.1
665.36517	3.8
683.37964	93.8
701.38867	100.0
967.43207	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	968.5932
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05516	14.3
69.07079	3.7
71.05012	1.4
72.98969	1.0
79.05498	16.0
81.07069	14.3
83.04972	5.6
83.05434	0.9
83.08613	2.3
89.71464	0.8
91.05472	9.2
93.07040	18.6
93.19357	0.9
95.04943	1.5
95.08614	13.9
97.06451	1.0
97.10173	5.5
99.18114	0.8
105.07011	7.6
107.04964	2.2
107.08585	18.6
109.10159	12.2
111.08082	1.1
117.07004	2.2
119.08588	11.1
121.10165	8.3
123.11674	2.0
125.09624	4.3
131.08598	6.7
133.10130	7.2
135.11713	4.3
145.10147	4.7
147.11745	7.7
149.09613	16.7
149.13280	2.3
159.11720	5.1
161.13278	1.1
163.11066	0.9
169.12236	2.1
173.13205	1.1
176.54857	1.0
219.17389	1.8
229.19392	1.3
275.20007	9.3
335.25818	16.0
339.29913	0.9
349.23685	8.8
490.45105	1.2
609.45154	100.0
627.45837	9.7
638.54950	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	969.541
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	2.8
67.09012	1.0
69.07065	2.6
71.04998	20.1
73.02929	1.2
75.04472	1.4
79.05507	1.3
79.11070	1.0
81.07064	9.6
83.04979	7.1
83.08634	1.5
85.02907	42.8
91.03957	5.4
91.05451	1.5
93.07053	8.6
95.01321	5.6
95.08611	32.6
97.02900	7.6
103.03932	1.6
105.07037	9.0
107.08598	16.3
109.10160	21.8
111.04435	5.6
111.08073	5.8
119.08579	13.0
121.10139	17.5
123.11739	10.7
129.05476	9.8
131.08597	2.0
133.10107	11.3
135.11674	14.8
137.13257	2.2
141.01823	40.4
145.04932	2.1
145.10161	9.6
147.06483	2.5
147.11687	13.0
149.13272	13.8
159.02873	1.7
159.11676	11.3
161.13216	11.3
163.14787	9.7
171.11595	1.4
173.13232	6.8
175.14851	8.8
177.16345	12.2
185.13245	2.8
187.14850	9.0
189.16385	14.3
191.17972	1.8
199.14801	2.6
201.16393	16.7
203.17975	26.2
205.15894	2.7
213.16406	2.0
215.17993	11.0
217.19453	9.8
219.17380	1.3
227.18030	2.6
229.19478	8.8
241.19403	2.2
243.21127	10.2
253.19514	1.7
255.20995	7.1
257.22623	5.1
269.22604	5.6
305.08652	2.6
365.31885	4.7
405.35202	23.1
423.36230	100.0
441.37405	1.4
449.37704	1.6
467.38669	5.0
581.38574	16.4
599.39252	10.8
625.40839	5.6
643.41931	2.3
823.47784	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	969.5411
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	2.1
69.03417	1.3
69.07062	1.6
71.01322	0.8
71.05003	18.4
73.02927	1.3
75.04483	1.7
79.05478	1.6
81.07069	10.4
83.04977	8.1
83.08620	3.8
85.02908	50.6
91.03967	4.4
91.05444	1.2
93.07066	6.6
95.01328	7.0
95.04977	1.3
95.08609	34.6
97.02893	4.4
97.10155	1.2
99.00837	1.0
105.07018	6.3
107.08601	22.2
109.02871	1.1
109.10158	21.0
111.04456	7.2
111.08074	5.6
111.11763	1.1
113.02324	1.0
114.81769	0.8
119.08581	10.1
121.10141	17.7
123.11695	11.3
127.03846	1.2
129.05484	11.9
131.03363	1.1
131.08589	1.4
133.10127	14.9
135.11693	14.3
137.13300	3.7
139.11182	1.5
141.01823	37.1
145.04955	3.6
145.10159	6.2
147.06514	5.6
147.11702	15.4
149.13264	13.1
157.10115	1.1
159.02888	5.4
159.11684	10.3
161.13255	14.3
163.05994	1.5
163.14828	6.5
171.11723	1.7
173.13280	12.1
175.14781	11.7
177.04015	1.0
177.16376	12.6
185.13264	2.1
187.14813	9.1
189.16394	12.4
191.17961	5.5
199.14851	4.2
200.69875	0.9
201.16396	17.7
203.17932	22.7
205.19476	1.6
213.16350	4.1
215.17932	9.8
217.15958	1.2
217.19456	8.5
219.17390	1.8
227.17932	5.7
229.19492	10.9
231.21051	1.6
241.19510	4.5
243.21037	10.5
255.21072	5.8
257.22684	4.5
259.20673	0.9
269.22537	7.8
273.22128	1.4
281.22784	1.1
283.24081	2.1
297.25659	1.4
305.08740	1.9
309.11847	1.7
323.09628	1.0
339.09033	1.0
365.31891	4.8
405.35153	22.7
423.36209	100.0
449.37692	3.8
467.38721	6.4
487.95041	1.0
581.38470	21.5
599.39478	9.4
625.40601	4.4
632.99951	0.9
643.41534	2.1
661.43781	3.0
814.20203	1.0
823.47852	4.5
870.19653	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	970.4999
Annotation	Unknow
Peak:m/z	Relative Intensity
67.95380	0.4
69.03436	5.5
69.07070	8.0
71.04991	0.8
71.08615	0.5
79.05505	3.8
81.03420	6.5
81.06609	0.9
81.07063	18.3
83.04991	0.8
83.08614	3.2
85.02910	14.8
87.00835	6.3
91.05467	3.7
93.07047	9.5
95.08609	21.0
97.02892	6.6
97.10153	1.9
99.04454	4.2
105.01857	5.4
105.07040	9.2
107.08595	15.1
109.02878	10.2
109.06553	0.9
109.10159	100.0
111.08101	0.8
111.11708	1.0
117.01839	0.7
117.07024	0.7
119.08588	14.0
121.06561	0.8
121.10135	20.0
123.08079	1.8
123.11703	7.2
125.09656	1.1
127.03909	12.9
129.01813	2.2
129.07066	0.6
131.08585	4.2
133.06447	0.6
133.10133	11.7
135.08057	14.7
135.11688	9.7
137.09633	0.7
137.13258	0.9
142.48611	0.4
143.08557	2.9
145.04965	3.6
145.10143	9.0
147.08057	0.7
147.11694	8.5
149.09631	1.0
149.13260	5.9
151.14828	0.5
155.08534	0.8
157.10101	6.0
159.02881	6.6
159.11694	8.8
161.09602	0.8
161.13257	10.8
163.11201	0.6
163.14822	4.0
169.10110	3.1
171.11674	6.3
173.09618	1.0
173.13260	8.6
173.14645	0.6
175.11200	1.8
175.14792	6.6
177.16371	6.8
181.10100	0.7
183.11649	4.1
185.13232	5.8
187.14824	9.0
189.12746	0.9
189.16388	11.9
191.17999	0.6
195.11664	0.9
197.13248	3.3
199.14769	5.0
201.12808	0.9
201.16382	5.0
203.14354	0.7
203.17892	1.2
209.13298	1.1
211.14845	4.1
213.03873	0.6
213.16382	4.6
215.14401	0.6
215.17944	3.7
217.15886	15.6
223.14752	1.8
225.16360	3.6
227.17963	4.5
229.15950	0.9
229.19566	2.8
231.05023	2.7
231.17349	0.7
237.16429	3.0
239.14413	0.6
239.17979	5.6
241.19478	4.7
243.17473	2.4
243.21069	0.6
245.18947	0.6
249.06047	0.8
251.17960	2.5
253.19524	3.6
255.21077	5.3
257.18982	2.0
259.17059	0.6
259.20386	0.7
263.17886	0.7
265.19516	2.1
267.21027	2.2
269.18979	0.9
269.22763	0.9
271.20520	2.3
277.19510	0.6
279.21109	2.0
279.36279	0.5
281.22696	4.1
283.20670	1.7
283.24185	2.3
285.22128	0.6
291.21155	0.9
293.22659	2.5
295.24191	2.3
297.25702	0.6
307.24045	0.7
311.23898	3.4
311.27014	0.6
319.24255	1.0
321.25729	1.0
323.27380	0.6
339.26746	5.0
347.27347	2.2
363.30469	0.7
365.28284	1.9
397.79941	0.5
403.33594	20.8
421.34647	83.0
432.89594	0.5
439.35706	28.7
631.35358	0.6
633.37567	1.0
651.38812	4.7
669.40015	29.6
687.40997	75.3
689.38068	0.5
845.22949	0.5
899.43127	1.9
920.52222	0.6
935.46277	0.8
970.49017	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	970.6089
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	0.9
69.07070	7.5
71.04986	1.0
73.02908	1.1
73.35943	0.5
74.86346	0.5
79.05495	21.5
79.63997	0.5
81.07059	30.6
81.51296	0.5
82.85238	0.5
83.04974	0.7
83.08615	3.8
85.02895	6.9
85.06532	0.7
91.03957	6.1
91.05473	19.3
93.07041	30.1
95.04956	3.3
95.08604	28.3
97.02882	2.9
97.06516	2.2
97.10150	2.4
99.08064	0.8
105.07030	24.8
107.08594	20.9
109.06544	1.0
109.10155	14.1
111.08144	0.7
117.07007	9.3
119.08573	23.8
121.10140	20.0
123.08041	1.3
123.11703	3.2
125.09612	0.8
125.86139	0.6
127.03896	0.7
129.06949	4.0
131.08551	14.0
133.10129	26.3
135.11691	11.9
137.09659	0.9
137.13217	1.0
143.08546	5.4
145.04970	2.1
145.10124	15.3
147.11678	19.9
149.13251	7.7
151.11189	0.7
157.10152	7.4
159.11688	12.9
161.13243	10.7
163.06061	2.2
163.11189	0.9
163.14799	2.7
169.10118	0.9
171.11671	6.4
173.13271	7.7
175.11256	0.6
175.14803	3.6
177.16457	0.7
183.11678	2.1
185.13242	4.1
187.14793	3.1
197.13197	0.9
199.14821	3.2
204.17545	0.7
211.14816	0.7
215.17940	0.8
231.21063	1.1
241.19577	6.1
257.18961	2.3
259.20544	21.3
261.22021	3.0
276.08536	0.6
277.21387	0.7
331.22565	1.2
333.20605	0.8
333.24246	11.8
335.25787	17.7
337.27469	1.0
367.22107	0.6
489.35654	0.7
501.35394	0.7
515.37689	0.8
519.41711	2.4
537.42847	1.0
587.39734	0.6
593.45660	9.8
611.46704	100.0
623.46600	2.2
665.46509	0.7
701.47333	1.2
719.48279	3.4
737.49316	2.9
755.50977	5.8
824.06384	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	970.6096
Annotation	Unknow
Peak:m/z	Relative Intensity
68.31395	0.8
69.03452	3.3
69.07069	13.7
71.05007	1.4
73.02928	1.6
79.05496	39.9
81.03439	1.6
81.07059	66.6
83.05016	1.6
83.08632	9.3
85.02915	10.7
85.06565	4.2
87.08228	0.7
88.90567	0.8
91.03972	4.9
91.05480	29.5
93.07040	56.6
95.04964	5.8
95.07995	2.0
95.08605	54.5
97.02898	6.3
97.05989	1.0
97.06510	6.5
97.10183	5.2
99.08112	1.8
105.04563	1.0
105.07033	33.4
107.08596	41.4
108.13029	0.8
109.06551	4.1
109.10165	26.1
110.45652	0.7
111.08102	1.7
111.11707	1.0
117.07002	11.7
119.08579	34.9
119.09422	1.2
121.06490	0.9
121.10139	33.5
121.11005	1.2
123.08088	3.5
123.11687	6.5
125.09622	1.3
127.03891	1.3
129.07040	5.1
131.08549	21.3
133.10117	24.1
135.11678	23.3
137.09659	1.7
143.08582	4.7
145.05049	1.6
145.10129	20.1
147.11687	20.5
149.09631	1.1
149.13274	12.4
151.11211	1.3
155.08635	0.8
157.10136	6.3
159.11676	17.3
161.09650	1.0
161.13240	12.5
163.06050	1.1
163.14824	3.9
169.10207	1.2
171.11665	8.2
173.13266	9.4
175.14847	5.5
185.13336	5.6
187.14804	9.2
199.14838	3.2
201.16429	1.8
205.15984	3.2
213.16461	1.4
216.49683	0.9
241.19560	4.4
243.21242	1.0
257.19012	0.9
259.20554	16.4
261.22156	5.8
263.97653	0.8
275.20068	1.1
277.21506	10.0
293.20969	1.3
333.24231	13.7
335.25800	78.4
337.27930	1.0
351.20993	1.2
351.25275	35.0
351.29428	1.4
363.98495	0.9
418.08377	0.8
421.25870	1.7
495.34799	3.1
529.38855	4.7
547.59076	1.0
553.42389	1.0
571.43439	5.2
593.45410	6.1
611.46729	100.0
629.47852	11.0
737.49347	3.4
755.50806	6.3
773.52197	7.3
970.57910	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	970.6606
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	2.5
69.07082	5.4
79.05496	6.4
80.29711	0.5
81.03411	3.3
81.07061	20.6
83.04993	3.1
83.08610	2.5
85.02873	0.9
85.06545	0.8
91.05479	6.4
92.21475	0.9
93.07038	12.3
95.04961	2.3
95.08610	23.1
97.02876	1.1
97.06543	0.7
97.10142	1.0
99.08104	1.3
105.04576	0.6
105.07043	12.6
107.04954	1.0
107.08595	18.0
107.09339	0.6
109.02912	0.8
109.06534	1.3
109.10157	36.5
109.10902	1.3
111.04438	0.5
114.36048	0.5
117.07015	4.1
119.08579	21.8
121.06499	2.7
121.10150	13.8
123.08064	1.3
123.11695	3.8
125.05992	0.7
127.03938	0.6
129.06955	0.8
131.08574	16.0
133.06493	10.4
133.10118	13.5
135.04417	8.6
135.08067	6.1
135.11702	7.4
137.09650	1.1
137.13258	0.6
142.07756	0.6
143.08589	3.6
143.60585	0.6
145.06485	0.9
145.10124	32.1
147.08041	3.4
147.11688	14.3
149.05986	17.8
149.09598	2.8
149.13231	6.1
151.07553	3.5
155.08574	0.9
157.06476	0.9
157.10143	9.2
159.08058	7.1
159.11670	13.9
161.09621	2.7
161.13257	9.0
163.07510	3.2
163.11191	1.2
163.14821	1.0
165.09102	1.0
169.10118	5.6
171.11705	8.3
173.09637	7.5
173.13252	12.2
175.11179	10.8
175.14815	10.4
177.09117	2.4
177.12733	0.9
181.10287	0.8
182.10841	0.7
183.11687	3.4
185.09578	0.9
185.13252	8.9
187.11256	4.3
187.14816	46.5
189.12781	3.1
189.16403	3.7
195.11700	3.0
197.13286	5.2
199.11192	3.5
199.14845	6.1
201.12656	2.1
201.16455	4.7
203.17995	1.1
205.15889	2.3
209.13219	3.9
211.14752	4.7
213.12721	2.8
213.16414	3.8
215.14293	32.3
215.17603	1.0
217.15985	0.7
223.14796	3.2
225.12720	0.8
225.16386	4.1
227.14391	1.1
227.17958	2.3
229.15834	2.6
233.13234	1.1
233.15338	14.1
235.14864	1.1
237.16338	2.9
239.17929	4.3
241.15921	3.6
241.19510	1.1
243.17336	0.8
249.16412	1.4
251.17870	2.5
253.19482	1.2
255.17461	1.0
261.16394	0.7
263.17999	1.0
267.17395	2.9
267.20358	0.5
269.18900	2.9
279.21085	0.8
281.19003	1.1
283.20456	0.7
291.20981	1.9
295.20514	0.9
309.22128	0.7
317.22467	0.9
335.23691	1.2
351.23065	1.2
359.27261	3.4
369.24121	3.4
377.28311	3.5
387.25281	4.1
397.27118	4.1
399.30334	3.7
405.26184	6.0
417.31503	16.8
423.27405	5.3
435.32654	28.4
437.30588	7.2
439.28244	1.0
448.93561	0.7
477.33621	40.6
488.30264	0.7
495.34692	100.0
513.35388	2.3
821.56482	1.3
839.58014	2.2
857.58032	1.3
881.58636	1.3
899.59167	3.9
917.59613	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	971.5199
Annotation	Unknow
Peak:m/z	Relative Intensity
68.67152	1.4
69.03454	1.5
69.07072	3.3
70.00150	1.5
71.04997	27.2
73.02934	2.4
75.04469	2.0
79.05511	1.9
79.30183	1.3
81.03478	1.6
81.07090	13.3
83.04973	9.7
83.08632	2.0
85.02438	2.5
85.02911	54.9
87.04460	1.3
90.88900	1.3
91.03973	2.2
93.07047	6.4
95.01333	9.1
95.08614	39.1
97.02895	7.0
97.10135	2.2
103.03928	2.3
105.07030	6.6
107.08594	17.8
109.10159	26.0
111.04441	7.2
111.08096	3.0
111.11719	1.6
113.02351	1.7
113.90079	1.6
119.08540	11.7
121.10133	14.8
123.11710	8.3
127.03970	2.5
129.05492	11.4
131.08568	1.9
133.10107	15.0
135.11682	18.7
136.16518	1.5
137.13303	2.1
141.01826	49.4
145.05003	2.7
145.10135	7.8
147.06512	3.5
147.11731	17.2
149.13268	11.8
159.02841	5.7
159.11705	11.9
161.13228	14.4
163.06001	5.9
163.14769	10.8
173.13216	11.2
175.08737	1.8
175.14810	12.4
177.16391	11.3
187.14798	12.1
189.16386	14.2
191.18036	3.1
199.14833	1.9
201.16370	19.4
203.17940	24.5
207.17400	3.0
213.16359	2.6
215.17912	13.8
217.19516	8.5
219.17334	2.7
227.17953	6.1
229.19542	13.1
241.19502	3.1
243.21094	14.2
255.21094	8.3
257.22653	7.4
269.22647	3.5
275.20148	3.4
278.03427	1.9
283.24103	2.2
305.08752	2.7
309.11755	6.6
323.09732	1.7
339.09109	1.8
365.31918	6.2
405.35104	16.1
423.36237	100.0
451.35480	13.1
469.36780	41.0
475.42746	1.7
581.38293	27.3
599.39465	13.0
627.38635	6.2
633.43152	2.6
645.39606	3.2
825.45441	8.1
1001.02594	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	972.5156
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	15.1
69.07047	0.7
71.04993	6.9
73.06559	2.5
76.23656	0.6
81.07059	1.4
83.05008	1.0
83.08627	3.6
85.06541	4.2
88.04124	0.5
93.89596	0.6
95.08619	2.3
97.02895	100.0
97.10182	5.1
100.46833	0.6
103.37395	0.5
107.08601	12.0
109.10161	4.6
114.23315	0.6
115.03941	0.6
115.07396	0.5
115.96974	0.5
121.10184	0.7
123.11681	2.5
125.08764	1.2
125.09624	21.7
133.10179	0.7
137.02318	3.1
139.03906	3.4
141.12759	3.0
143.10681	38.7
145.10057	1.1
147.11708	1.1
149.13330	0.8
157.04961	12.2
159.11708	1.2
161.13280	0.9
165.01855	4.0
169.10063	0.7
171.11693	0.9
173.13228	1.1
177.12631	0.6
183.02863	5.6
183.11646	0.6
185.13188	1.6
187.14833	2.4
199.14781	2.0
200.63551	0.5
201.03882	2.7
202.12059	0.5
243.05016	7.3
248.21904	0.7
253.66107	0.5
303.07080	5.4
419.33020	4.7
437.34128	7.5
455.34933	2.3
739.40271	4.4
757.40887	2.7
768.91461	0.7
797.24829	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	972.5154
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03430	9.9
69.07066	15.0
69.88943	1.7
72.55158	1.8
73.02906	2.9
79.05460	2.1
81.03405	17.4
81.05753	1.9
81.07070	21.1
83.08613	3.4
85.02914	38.3
87.00825	14.5
89.28432	1.8
93.07042	12.4
95.08615	37.6
97.02876	16.4
97.10154	3.8
99.04459	3.8
105.01884	12.1
105.07042	10.3
107.08577	22.2
109.02878	24.8
109.10172	40.3
111.11738	2.3
119.08575	18.5
121.00722	2.0
121.10126	19.9
123.11706	11.7
127.03924	36.9
128.32175	2.1
131.08571	8.5
133.10182	15.6
135.11661	16.8
137.13228	2.2
143.08549	4.0
143.16458	1.9
145.04977	8.1
145.10121	17.4
147.11664	18.5
149.13222	14.4
157.10121	8.1
159.02879	11.5
159.11676	18.5
161.13249	11.2
163.14795	4.2
166.42485	2.0
168.79002	2.1
169.10100	7.1
171.11653	13.4
173.13293	14.9
175.14821	8.6
183.11681	4.4
185.13275	8.2
187.14870	16.8
189.16394	3.0
197.13136	4.4
199.14795	7.5
201.16440	4.3
203.17842	3.4
205.19589	2.2
211.14893	2.9
213.03955	3.8
213.16409	11.2
215.17830	9.0
225.16370	3.8
227.17960	11.2
229.19458	3.0
231.04947	8.0
239.17897	13.3
241.19490	11.1
249.06038	2.9
253.19647	4.1
255.21060	4.6
257.19098	3.9
267.21060	4.3
283.24142	3.8
295.24414	3.6
335.27423	2.3
378.27936	2.2
393.35275	2.8
405.35156	96.5
423.36191	96.3
443.08405	2.7
461.09229	7.6
468.72043	2.3
479.10208	2.8
497.11166	2.9
515.57654	2.3
653.40643	22.1
671.41675	100.0
689.41766	8.9
901.44586	2.9
919.45923	12.1
937.48053	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	972.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03428	18.0
69.07068	23.1
73.02023	2.3
76.60535	2.7
79.05497	6.3
81.03432	19.0
81.07058	44.4
83.08627	5.7
85.02911	50.5
87.00843	20.6
88.56228	3.1
91.05471	12.5
92.25527	2.8
93.07045	23.8
94.88132	2.8
95.08607	65.1
97.02888	28.4
97.10176	4.4
99.04467	15.0
102.43848	2.9
105.01878	24.9
105.07040	27.8
107.08590	50.7
109.02882	39.0
109.10163	100.0
110.10456	3.8
117.07026	4.1
119.08560	44.8
121.10135	49.9
123.11732	25.6
127.03923	50.4
129.01854	4.0
131.08568	15.1
133.10159	29.2
135.11734	26.2
143.08612	5.1
145.04951	7.3
145.10156	32.0
147.11703	38.6
149.13268	32.0
155.22206	2.8
157.10114	16.9
159.02867	14.8
159.11719	33.6
160.12068	3.3
161.13269	36.9
163.14828	12.3
169.10060	3.1
171.11659	15.5
173.13278	27.7
175.14796	26.5
177.16367	5.2
183.11673	4.0
185.13278	12.2
187.14835	35.1
189.16362	12.8
197.13344	4.7
199.14857	7.1
201.16364	23.0
203.17906	6.5
211.14819	3.4
213.16403	14.0
215.17926	14.3
217.19472	16.3
219.43666	2.9
225.16331	3.8
227.17989	4.7
229.19530	13.7
231.05032	13.7
239.18083	3.6
241.19441	14.1
245.19104	4.2
249.06046	5.0
253.19492	12.3
255.21063	4.3
267.21097	6.0
269.22513	4.5
281.22714	3.7
295.24213	13.7
297.25699	6.7
300.98752	2.9
313.25116	4.4
349.28699	4.4
377.92755	2.9
403.33517	12.2
404.33698	4.2
405.35092	94.7
421.34848	3.9
422.34866	7.1
423.36157	86.4
465.00305	3.5
653.40210	15.4
671.31360	4.6
671.41565	87.5
689.42480	7.0
919.46796	5.5
922.88586	3.4
928.64111	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	972.516
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03424	17.1
69.07073	11.6
70.84985	2.4
71.47914	2.4
74.53033	2.1
77.01258	2.6
77.85117	2.5
78.48067	2.6
79.05497	5.2
81.03437	19.6
81.07065	35.2
83.04967	2.6
83.08598	2.9
85.02912	34.2
87.00830	12.2
91.05456	3.3
93.07058	27.2
95.08606	51.9
97.02862	18.6
97.10168	3.8
99.04454	9.9
103.84718	2.6
105.01867	16.4
105.07037	16.0
107.08604	35.5
109.02883	29.4
109.10165	46.4
119.08578	35.4
120.09190	2.6
121.10142	37.7
123.11706	15.4
127.03914	38.0
131.08603	15.9
133.10112	25.4
135.11662	21.3
137.13278	4.9
143.08521	5.4
145.04927	4.7
145.10117	31.1
147.11688	26.8
149.13225	23.6
157.10136	11.2
159.02899	6.1
159.11688	41.9
161.13263	28.2
163.14815	14.5
171.11674	10.9
173.13284	24.7
173.26839	2.6
175.14847	26.6
177.12805	3.2
177.16389	13.8
185.13248	6.0
187.14825	26.2
189.16348	22.8
191.17924	3.3
197.13275	4.1
199.14713	4.8
201.16377	36.2
203.17935	16.5
211.14833	3.2
213.16443	13.3
215.17867	18.3
217.19487	4.7
227.18016	4.0
231.05086	13.4
231.17389	3.3
239.17955	4.0
241.19753	2.9
243.21056	5.6
245.22704	2.9
249.06076	4.1
253.19626	3.1
267.20947	3.3
273.05795	3.6
295.24066	3.6
297.25882	2.9
396.75400	2.7
405.35172	100.0
423.36279	50.8
461.08960	4.5
479.10471	7.8
558.29510	3.3
635.38995	3.2
653.40332	15.2
671.31232	4.0
671.41455	67.0
689.42035	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	972.6762
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03404	2.2
69.07075	16.4
71.04996	1.6
71.83887	1.3
77.91223	1.4
79.05487	13.7
81.03415	1.9
81.06615	2.5
81.07065	46.8
83.04982	2.4
83.08617	6.9
86.20486	1.7
91.05470	9.7
93.07052	28.5
95.04994	3.3
95.08607	58.2
97.10195	2.3
105.07040	24.7
107.08600	46.0
109.10162	100.0
117.07013	9.5
119.08573	42.0
121.06480	1.7
121.10144	39.1
123.08065	1.8
123.11713	14.2
123.20515	1.4
125.09579	1.7
129.07037	2.3
131.08565	20.0
133.10136	30.8
135.08032	9.0
135.11685	24.7
137.13278	2.9
140.71075	1.6
143.08582	12.1
145.10115	42.0
147.08046	2.2
147.11681	27.1
149.09630	2.6
149.13290	13.3
151.14746	2.1
155.08527	8.0
157.10135	21.4
158.10921	2.4
159.11678	29.4
161.09605	2.7
161.13261	19.4
163.11145	2.4
163.14801	8.0
165.12706	1.6
167.08557	2.2
169.10144	14.7
170.75697	1.5
171.11703	20.7
173.09608	2.6
173.13257	26.6
175.11125	3.5
175.14819	12.9
177.16336	2.3
179.14328	2.1
181.10080	2.1
183.11719	10.9
185.13254	17.6
187.11182	3.8
187.14828	22.8
189.12749	2.2
189.16423	3.0
195.11708	8.7
197.13263	9.8
199.14780	12.0
201.16402	11.5
203.17874	2.2
207.11795	2.2
208.12450	1.9
209.13216	10.3
211.14799	11.7
213.16399	10.3
215.17989	2.9
217.15900	2.9
221.13316	2.9
223.14862	7.8
225.16367	9.8
227.17943	8.8
229.19551	2.9
231.17397	3.5
233.13260	2.0
235.14850	7.3
237.16386	20.9
239.17941	12.9
241.15791	2.7
241.19524	3.3
243.21059	2.1
249.16280	3.1
251.17950	8.4
253.19414	14.5
263.17908	3.6
265.19543	3.3
267.21078	3.6
269.19180	2.6
269.22443	2.2
277.19406	2.2
279.21063	5.8
291.21051	3.3
293.22617	3.2
295.20355	1.7
309.22165	3.0
317.22543	2.1
333.25726	2.1
345.25772	2.6
361.29120	2.1
369.24286	3.4
375.30530	2.2
387.25177	3.7
391.33572	7.0
391.47037	1.9
401.32022	47.0
405.26401	8.3
419.33069	85.3
419.38785	2.7
435.32443	1.9
437.34180	20.3
461.34183	23.3
479.35168	92.0
490.33167	1.6
497.36246	34.8
575.24896	1.8
672.49951	1.6
823.58325	6.9
841.60077	31.6
859.60095	7.9
901.61877	26.7
919.63019	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	973.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07073	1.4
71.04996	22.5
73.02931	2.0
75.04488	5.4
79.05505	4.8
81.07066	15.8
83.04981	15.8
83.08610	2.0
85.02906	70.6
87.07032	1.1
91.03964	2.0
93.07024	12.0
95.01320	6.9
95.08604	33.4
97.02882	5.3
97.10144	1.6
99.04437	1.5
105.07049	10.6
107.08594	21.2
109.10155	38.2
111.04444	13.7
111.08072	8.4
113.02316	1.3
119.08588	19.8
119.87514	1.2
121.10135	27.4
123.11684	12.5
127.03930	6.0
129.05466	16.3
131.03452	1.3
131.08571	2.0
133.10135	19.4
135.11670	19.5
137.13210	2.1
139.11168	1.4
141.01820	48.4
145.04967	5.7
145.10098	14.7
147.06528	7.6
147.11682	21.5
149.13266	18.3
157.10133	2.6
159.02855	5.6
159.11670	19.6
161.09619	2.0
161.13264	23.9
163.05998	1.4
163.14809	14.1
165.12775	1.4
171.11714	5.4
173.13229	19.3
175.14803	20.6
175.48088	1.3
177.12721	1.2
177.16370	14.2
180.11366	1.1
185.13271	6.0
187.14819	19.7
189.12764	1.9
189.16367	17.8
191.10684	1.7
191.14317	1.7
191.17989	6.0
195.17584	1.2
197.04224	1.2
197.13321	2.3
199.14830	9.4
201.16362	21.2
203.14359	6.3
203.17953	20.5
205.15837	5.3
207.13855	1.6
207.17445	4.6
211.14909	2.3
213.16406	6.9
215.14445	1.2
215.17934	9.9
217.12178	1.6
217.15834	2.6
217.19521	7.0
219.13852	6.4
221.15347	1.3
227.17923	1.9
229.15854	1.5
231.13777	1.5
233.15353	11.9
233.18930	2.2
239.17900	1.2
241.19582	2.0
243.14049	1.7
243.20927	2.0
245.15210	2.0
247.16855	4.6
257.15414	1.7
259.16907	7.3
269.08054	1.3
273.18491	1.8
277.17984	4.8
287.07498	1.5
287.19965	2.2
291.19449	2.5
305.08658	6.0
305.21075	1.6
309.11777	5.1
323.09543	2.0
345.67422	1.4
389.31604	1.9
395.29459	4.6
407.32904	6.9
413.30276	8.6
423.32480	2.0
425.34164	5.9
435.32559	15.0
441.33566	7.3
453.33612	83.4
454.34979	1.1
455.35248	1.5
471.34714	100.0
489.35400	4.1
611.35315	5.0
629.36804	25.6
635.41449	2.1
647.37360	7.4
665.38965	2.4
827.44800	3.0
847.75684	1.3
923.65869	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	975.6162
Annotation	Unknow
Peak:m/z	Relative Intensity
84.45528	0.1
85.78695	0.1
86.37527	0.1
128.66232	0.1
182.33430	0.1
183.43481	0.2
207.38609	0.1
210.88274	0.2
442.74576	0.1
461.25174	1.3
463.26776	0.6
537.35126	0.2
553.35272	0.8
572.31653	0.2
585.27002	0.1
633.40662	0.2
697.39569	0.3
897.58630	0.8
915.59607	4.7
975.61627	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.4953
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	12.3
69.07082	11.4
71.04958	1.9
75.58973	1.5
79.05502	6.6
81.03421	11.9
81.07055	27.5
83.05001	1.8
85.02905	19.9
87.00803	7.6
91.05470	2.7
93.07029	14.5
95.08614	26.2
97.02906	14.9
97.10168	2.4
99.04442	3.8
99.08083	4.1
105.01861	9.8
105.07047	12.2
107.08597	24.2
109.02880	14.8
109.10164	70.7
119.08563	26.8
121.10146	23.2
123.08057	2.6
123.11710	7.8
125.09587	1.9
127.03922	20.7
131.08589	9.6
133.06487	3.4
133.10121	22.3
135.08076	3.5
135.11644	13.0
143.08559	2.9
145.04979	8.2
145.10141	19.7
147.11685	16.8
149.05968	2.2
149.09599	3.9
149.13266	8.2
154.01163	1.7
155.08563	3.2
155.64059	1.8
157.10153	13.9
157.72028	1.5
159.02892	6.3
159.11661	15.3
161.09538	1.9
161.13280	12.0
169.10135	7.9
171.11664	12.7
173.09602	2.9
173.13205	13.3
175.11159	2.5
175.14801	30.3
175.89732	1.6
177.12717	2.2
183.11777	2.7
185.13283	7.3
187.14828	13.9
189.16342	7.7
195.11722	3.3
196.79840	1.7
197.13158	7.9
199.14867	9.0
201.12920	1.7
201.16364	3.4
203.17967	2.5
209.13242	2.1
211.14819	10.1
213.16376	10.2
215.14308	10.2
215.17889	2.8
225.16403	8.0
227.17915	18.1
229.16003	2.2
229.19501	2.6
231.05104	3.7
231.17433	3.1
237.16321	7.2
239.17920	6.9
241.19443	6.8
243.21138	2.2
245.15387	1.5
245.18944	2.1
249.16354	2.0
251.18152	2.2
253.19469	7.3
255.21098	2.4
263.17947	3.2
265.19376	6.0
267.21060	2.0
269.18985	7.4
271.20587	6.4
279.21109	3.9
281.22571	4.1
293.22699	5.9
305.22598	2.0
309.22260	2.3
311.23669	3.1
319.24606	2.2
321.25632	2.1
345.25632	2.8
401.31995	14.1
418.31775	1.9
419.33035	59.8
435.32504	6.9
437.34134	100.0
455.35254	29.6
667.38678	16.8
685.39417	44.3
703.40411	58.1
832.33844	2.0
946.64227	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	986.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	15.4
69.07072	7.3
81.03406	7.2
81.07066	26.8
85.02901	31.8
87.00791	4.2
91.05508	5.6
92.21549	4.2
93.07072	6.6
95.04992	4.2
95.08608	27.4
97.02895	17.1
99.04474	4.8
99.08129	3.9
105.01855	7.3
105.07064	5.4
107.08581	29.7
109.02882	16.1
109.10146	73.0
119.08581	34.8
121.10128	22.3
123.11716	5.3
127.03900	26.4
131.08566	6.9
133.10091	18.0
135.04369	4.6
135.11674	20.1
143.08559	5.1
145.04878	6.8
145.10133	25.0
147.11702	14.9
149.13263	9.1
157.10110	9.0
159.02841	4.5
159.11729	19.0
161.13226	15.2
171.11632	15.9
173.09790	4.1
173.13274	22.8
175.11166	4.4
175.14842	34.0
183.11676	15.6
185.13266	15.3
187.14848	8.8
187.90407	3.7
189.16429	5.7
197.13252	7.7
199.14798	6.6
209.13297	4.1
211.14651	4.7
213.03798	4.3
213.16344	6.8
215.18036	5.7
227.17984	9.2
239.18118	4.6
241.19501	7.1
253.19456	6.5
269.19022	5.0
338.44156	3.9
367.98370	4.1
401.32077	18.0
419.32999	63.8
437.34155	100.0
455.35098	40.4
557.91766	4.9
626.25415	4.2
650.11761	4.6
667.37927	19.0
685.39221	45.2
703.40076	44.7
951.44885	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	986.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	5.6
69.07074	5.5
73.02882	1.3
79.05509	1.6
81.03412	5.3
81.07069	10.6
83.08629	1.3
85.02454	1.3
85.02919	9.7
87.00828	4.8
93.07040	5.8
95.05003	1.2
95.08598	20.9
97.02881	4.7
99.04467	1.1
101.99271	1.1
105.01845	4.7
105.07040	5.6
107.08616	11.1
109.02879	5.4
109.06468	1.7
109.10157	67.1
119.08595	10.6
121.10186	8.7
123.08073	1.3
123.11702	6.3
127.03898	11.7
131.08554	2.3
133.10133	7.3
135.08080	1.6
135.11711	6.4
139.44716	1.2
143.08585	2.3
145.10129	12.0
147.11693	7.0
149.13182	1.7
151.11169	5.6
157.10164	6.7
159.02861	1.9
159.11687	6.7
161.13214	4.5
163.11128	1.4
169.10117	4.8
171.11696	5.2
173.13298	8.0
175.11162	2.4
175.14803	2.2
183.11711	1.8
185.13277	5.7
187.14796	4.5
189.16428	1.7
193.05212	1.2
197.13246	2.4
199.14824	2.5
201.16409	6.0
211.14787	2.3
213.16411	4.4
215.17793	1.6
223.14853	1.4
225.16348	1.4
229.19572	1.6
239.17885	1.5
242.02095	1.2
243.61017	1.2
251.17978	2.2
253.19591	9.1
271.20743	4.1
292.69904	1.3
311.23776	1.7
419.33096	30.4
437.34177	36.1
667.38147	6.6
685.39435	100.0
703.40131	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	988.5104
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99792	0.8
69.03431	15.0
69.07066	11.1
71.04985	1.4
73.02911	2.9
79.05483	7.8
81.03427	15.3
81.07060	31.3
83.04976	2.2
83.08625	5.8
85.02909	31.1
87.00829	12.2
91.05473	7.2
93.07041	18.3
95.04958	3.0
95.08607	44.6
97.02886	15.5
97.06527	0.9
97.10171	3.9
99.04471	7.1
99.08073	0.6
105.01209	0.8
105.01867	12.3
105.07033	20.9
107.08597	35.4
109.02879	20.6
109.06510	1.2
109.10156	83.5
111.08102	1.1
111.11708	0.9
115.03957	0.7
117.01841	1.0
117.07011	4.4
119.07745	1.1
119.08580	30.6
121.06478	0.9
121.10143	26.6
123.04411	2.3
123.08073	1.1
123.11697	14.8
124.18378	0.5
125.02363	0.5
125.09634	3.0
127.03919	28.9
127.11181	1.1
128.06207	0.7
129.01872	2.2
129.07004	3.0
131.08559	13.0
133.10130	24.0
135.08040	2.4
135.11681	18.1
135.71698	0.6
137.09605	0.7
137.13264	3.3
143.08563	7.6
145.04953	6.5
145.10123	28.5
147.02838	1.1
147.08038	0.9
147.11684	26.5
149.09598	0.7
149.13266	12.8
151.03909	0.6
151.11177	1.0
151.14839	0.9
155.08559	2.8
157.10110	12.8
158.10910	0.9
159.02885	8.2
159.11678	31.7
161.09593	2.3
161.13243	31.0
163.11162	2.5
163.14804	11.4
169.10138	4.6
170.10860	0.8
171.11679	14.7
173.13251	24.5
175.11211	2.3
175.14812	20.7
177.12685	0.9
177.16316	7.5
181.10100	1.0
183.11703	8.9
185.13272	15.5
187.14813	25.5
189.03932	1.1
189.12744	0.8
189.16380	12.6
191.14340	0.7
191.17889	1.2
195.11668	3.6
197.13277	6.7
199.14812	20.8
201.16374	33.7
203.14285	0.8
203.17934	9.4
205.15857	1.4
209.13301	3.1
211.14758	7.2
213.03928	2.7
213.16374	11.4
215.17928	13.1
217.15846	2.8
217.19489	4.6
219.17410	2.5
221.13336	0.7
223.14774	3.5
225.16365	7.4
227.14215	0.7
227.17967	8.3
229.15996	0.7
229.19505	3.9
231.04915	5.4
231.17375	2.4
233.18976	0.7
235.14877	0.9
237.16356	3.5
239.17905	6.8
241.19562	5.7
243.17360	1.1
243.21098	3.5
245.19086	0.7
249.06055	3.8
249.16426	2.1
251.17897	3.8
253.19472	6.2
255.21086	6.1
257.18948	0.7
257.22629	1.0
259.20535	2.3
263.17911	0.9
265.19373	4.0
267.21057	9.9
269.22711	3.3
271.24136	0.7
273.05981	2.6
277.19547	1.4
279.21078	3.7
281.22595	3.8
283.20551	1.2
283.24100	0.8
291.21353	2.2
292.21735	1.1
293.22617	6.8
294.23444	0.7
295.24121	5.8
307.24179	0.9
309.21991	0.7
311.23657	1.1
313.25354	2.4
319.24225	2.3
321.25668	3.3
323.27319	0.7
335.27313	1.4
339.26828	1.0
339.97446	0.6
347.27356	6.4
353.28198	0.6
357.08032	1.2
361.28796	1.0
363.30457	4.0
365.28351	3.0
372.89948	0.6
383.18393	0.7
393.35260	1.3
401.31812	1.2
403.33578	62.0
405.35278	2.0
412.26862	0.7
415.02945	0.7
419.33041	1.4
421.34622	100.0
423.36081	0.9
439.35684	27.2
461.09134	3.5
479.10056	3.5
497.11166	0.7
529.36859	2.1
615.36053	1.0
633.37482	2.9
641.55359	0.7
651.38916	12.2
669.39935	51.9
687.29871	1.0
687.41040	23.7
712.19232	0.7
729.06824	0.7
881.42163	0.8
899.43713	0.8
917.44812	4.6
935.46027	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	988.6708
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03439	4.9
69.07059	17.9
75.79602	1.1
79.05502	27.2
81.03413	12.1
81.07057	62.9
83.04970	3.0
83.08634	9.8
85.02906	6.4
85.06525	1.6
91.05472	30.8
93.07043	47.2
95.04967	7.7
95.08604	74.0
97.02868	3.0
97.06541	2.5
97.10157	8.2
99.04436	1.4
99.08089	2.6
105.07038	40.9
107.08586	54.0
109.02863	6.8
109.06501	6.3
109.10151	100.0
111.08134	1.9
111.11723	1.8
117.06998	10.4
119.08575	60.1
121.06511	6.9
121.10142	52.1
123.08057	7.7
123.11710	16.4
125.09618	5.9
127.03930	5.6
127.11285	1.5
128.06187	2.5
129.06973	9.0
131.08562	29.5
133.06458	1.4
133.10127	44.0
135.08055	8.1
135.11673	30.8
137.09636	2.2
137.13274	5.1
141.06949	2.2
142.07767	2.2
143.08568	13.5
145.10121	49.7
147.08093	2.9
147.11681	35.3
149.09590	5.1
149.13248	19.0
155.08571	6.0
157.10112	27.2
159.08080	2.2
159.11685	44.9
160.44135	1.2
161.09628	4.9
161.13266	20.0
163.11169	6.7
163.14801	4.9
165.12752	2.0
166.07684	1.2
167.08514	1.6
169.10109	18.8
170.10873	1.7
171.11678	34.1
173.09642	3.2
173.13223	31.7
175.11234	4.4
175.14842	15.3
177.16426	2.9
181.10103	6.2
183.11642	18.5
185.09598	2.2
185.13264	22.9
187.11177	5.1
187.14819	32.6
189.12714	5.3
189.16414	5.4
195.11684	8.3
197.09727	1.5
197.13280	11.0
198.13956	1.7
199.14781	15.9
201.12668	2.3
201.16359	11.3
203.14355	2.0
203.17921	4.5
205.15923	2.4
207.11620	2.0
208.12440	1.8
209.13200	10.2
211.14880	10.3
213.12746	2.4
213.16368	13.9
215.14278	2.4
215.17953	9.3
217.15828	5.6
218.14119	1.3
219.17390	4.9
221.13290	5.1
223.14809	11.0
225.16344	15.3
227.17914	9.1
229.19527	5.6
235.14828	8.6
237.16301	16.8
239.17842	11.6
241.19498	8.4
249.16325	2.6
251.17952	8.9
253.19472	14.9
255.17488	2.5
255.20972	1.9
257.19009	4.8
259.20563	7.2
263.17902	5.5
265.19501	5.6
267.17358	2.0
267.21109	5.5
269.19101	2.6
271.20483	1.9
277.21722	28.8
279.20959	5.6
281.22400	2.1
283.20651	2.1
291.21072	5.2
292.21796	5.5
293.22678	2.2
301.21429	2.6
305.22519	1.9
309.22183	2.9
313.17780	1.6
319.24182	2.6
333.25656	2.1
345.25760	2.0
361.28928	2.5
363.26587	2.7
367.22519	5.8
375.30438	2.9
385.23660	11.5
391.33728	3.1
401.31976	43.1
403.24734	19.5
417.31631	2.2
419.33044	76.6
421.25897	26.8
435.32083	2.0
437.34341	9.6
439.26831	12.9
461.34146	24.0
479.35211	67.1
495.34546	1.7
497.36243	21.9
579.63977	1.6
610.45447	2.0
611.45660	2.8
655.08508	1.5
661.54846	1.5
675.49902	1.4
748.88879	1.4
821.56921	3.1
839.57611	14.0
857.59296	19.8
875.59418	5.3
899.59418	7.8
917.60754	15.0
935.62402	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	988.6707
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	2.8
69.07066	20.9
73.31118	2.4
79.05511	20.5
81.03420	2.9
81.07062	45.4
81.75567	2.5
83.04987	3.9
83.08626	5.9
84.46416	2.6
85.02918	4.0
86.21503	3.6
91.05472	24.1
93.07055	33.9
95.08602	68.2
97.02863	3.6
105.07034	42.3
107.08595	62.3
109.10153	100.0
111.08089	3.5
117.07022	5.3
119.08582	64.9
121.06507	3.1
121.10146	51.7
123.08045	5.6
123.11690	18.5
124.11686	3.2
129.06975	4.5
131.08537	26.5
133.10120	42.0
135.08066	6.5
135.11702	27.8
137.09555	3.4
137.13252	4.3
138.57037	3.1
141.06981	3.5
143.08571	18.6
145.10118	60.6
147.07965	3.0
147.11684	36.2
149.13251	18.3
151.11180	3.6
155.08562	5.4
157.10091	31.1
159.11661	42.7
161.09625	3.1
161.13258	19.5
163.14780	4.7
169.10080	22.2
171.11694	34.8
173.13240	36.4
175.11154	3.6
175.14787	15.7
181.10066	6.1
183.11722	16.3
185.13181	23.5
187.11238	3.1
187.14781	26.0
189.16292	4.3
195.11676	13.7
197.13281	17.3
199.14821	18.4
201.16373	15.8
203.18011	3.3
207.11618	4.3
209.13271	19.3
211.14857	20.7
213.16429	23.2
215.14319	4.5
215.17924	7.2
221.13177	4.5
223.14719	11.1
225.16345	13.2
227.17964	6.4
229.15666	3.3
229.19435	4.8
235.14786	6.5
237.16338	19.6
239.17976	13.0
241.19478	5.9
251.17888	13.2
253.19507	12.6
265.19617	11.7
267.21066	3.8
269.19067	5.0
279.20834	4.2
289.19598	3.6
291.20917	11.6
293.22568	5.8
319.24280	4.9
378.46857	3.6
385.23935	6.2
396.28210	3.2
401.31934	34.4
403.24707	22.3
417.31317	4.4
419.33035	65.0
421.25949	20.0
432.09259	3.8
437.33939	12.4
449.54059	3.1
461.34036	19.1
479.35153	67.0
497.36130	22.7
821.56085	11.8
839.57959	66.3
857.59546	20.8
881.58423	4.3
899.60132	51.0
917.61346	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	992.7437
Annotation	Unknow
Peak:m/z	Relative Intensity
73.06575	6.5
77.67369	6.5
79.03397	6.4
84.04676	6.6
85.10184	8.4
89.06021	18.0
123.26848	8.8
178.07852	7.9
178.95721	7.1
199.13687	7.9
217.07368	8.1
252.19702	7.5
284.70624	9.4
327.77594	8.5
396.58310	8.4
463.81891	7.9
478.66779	8.7
975.70264	12.5
992.74164	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0607
Annotation	Pentanoate
Peak:m/z	Relative Intensity
53.82130	0.7
55.01879	4.4
57.03451	100.0
58.00590	4.1
59.01385	16.1
59.13562	0.7
62.00420	0.7
71.01385	5.2
71.05003	4.1
72.99301	0.9
73.02943	32.8
74.08551	0.7
74.65204	0.7
83.01383	1.0
84.36101	0.7
85.02943	27.1
86.00099	5.3
87.96780	0.7
88.11021	0.7
92.90779	0.9
99.04527	2.7
100.94610	15.3
100.95478	9.7
100.96013	28.0
100.96785	1.0
101.02436	26.0
101.06071	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	103.0037
Annotation	Malonic acid
Peak:m/z	Relative Intensity
51.36149	0.1
54.00169	0.1
57.03453	0.5
59.01383	100.0
64.33530	0.1
73.02935	0.2
78.03580	0.1
101.02447	0.1
103.00368	7.4
103.04012	0.1
118.10973	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	108.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26816	0.2
50.44602	0.2
55.89858	0.2
58.83220	0.2
65.01459	0.4
66.03500	0.3
74.82184	0.2
80.05058	0.4
80.72475	0.3
83.02341	0.3
87.98125	0.3
105.71995	0.3
106.14392	0.3
107.03090	0.6
107.03773	9.2
107.04500	0.3
108.02155	3.5
108.04555	100.0
112.28848	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	111.0087
Annotation	2-Furoate
Peak:m/z	Relative Intensity
54.37637	0.3
54.78864	0.3
59.60036	0.3
66.21374	0.4
67.01888	42.0
71.03215	0.3
78.95901	100.0
80.27629	0.4
80.81910	0.3
83.01373	1.3
85.02896	0.4
90.13738	0.4
110.98534	4.4
111.00873	69.8
111.02065	2.2
126.02872	0.3
128.01077	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0087
Annotation	2-Furoate
Peak:m/z	Relative Intensity
50.41721	0.3
57.08613	0.3
67.01889	37.8
72.78509	0.3
73.42635	0.3
78.95902	100.0
79.95706	0.4
85.02923	0.5
98.17967	0.3
103.19443	0.3
110.97591	2.4
110.98522	3.4
111.00875	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	111.0087
Annotation	2-Furoate
Peak:m/z	Relative Intensity
51.51478	0.3
54.71423	0.3
67.01891	35.9
78.95903	100.0
79.95731	0.6
98.78872	0.3
103.42131	0.3
110.97572	9.5
110.98518	4.0
111.00874	60.7
125.48141	0.4
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	Unknow
Peak:m/z	Relative Intensity
51.57297	0.3
59.01379	1.7
63.25516	0.3
69.49863	0.3
71.01376	4.7
71.05017	3.7
73.04065	1.5
82.30584	0.3
85.02956	2.0
85.07379	0.3
97.02943	3.5
114.93399	1.4
115.04019	3.6
115.05986	2.6
115.07639	100.0
120.67167	0.3
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	Unknow
Peak:m/z	Relative Intensity
50.32445	2.0
53.34574	2.0
57.03448	2.3
58.00594	14.6
69.03468	3.8
71.01006	2.1
71.01379	14.6
71.05021	15.5
73.02939	16.2
73.04076	2.3
81.86589	2.1
85.02949	15.7
85.06583	19.2
87.04520	32.2
94.78633	2.5
95.05024	2.7
97.02946	4.0
97.06568	3.3
99.04503	21.7
107.65614	2.1
113.06094	4.3
114.93365	3.5
115.03987	10.8
115.07640	100.0
121.27228	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	116.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78414	0.2
72.04535	0.6
74.02467	5.8
74.77654	0.2
85.29390	0.2
86.35297	0.2
98.02438	1.0
103.32853	0.2
106.12501	0.2
108.26714	0.3
116.05052	100.0
130.04506	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	Succinic acid
Peak:m/z	Relative Intensity
55.01881	0.7
59.01381	0.8
68.12115	0.1
73.02943	100.0
74.26418	0.1
82.43514	0.2
91.95504	0.2
99.00874	10.4
116.92850	0.4
117.01932	23.4
117.05559	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	Succinic acid
Peak:m/z	Relative Intensity
53.04548	0.1
55.01883	0.3
55.45096	0.1
56.19575	0.1
59.01395	0.3
59.35885	0.1
60.24081	0.1
63.06777	0.1
64.98952	0.2
72.05184	0.1
73.02943	100.0
82.28192	0.2
85.40888	0.2
86.88008	0.2
99.00880	9.5
116.92868	0.9
117.01936	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	118.0509
Annotation	L-Homoserine
Peak:m/z	Relative Intensity
50.98656	0.3
53.13318	0.3
55.01884	5.0
58.02961	0.6
70.02984	1.9
70.99685	0.3
71.01391	0.5
72.00910	7.4
72.04546	21.1
74.02470	7.6
74.03303	0.3
74.06116	0.6
75.97852	0.3
76.58369	0.3
83.69061	0.4
88.04041	2.2
95.06325	0.4
98.02473	61.3
99.00875	25.2
100.04050	7.9
114.64207	0.4
116.03535	8.5
118.05099	100.0
128.77637	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.051
Annotation	L-Homoserine
Peak:m/z	Relative Intensity
51.22619	0.2
52.45624	0.2
55.01878	3.5
57.44538	0.2
58.02971	1.1
59.54974	0.2
68.01414	0.6
70.02989	2.4
72.00900	5.1
72.04544	20.2
73.02940	0.5
74.02471	3.8
74.03280	2.4
74.06098	0.5
82.98126	0.3
88.04045	2.5
98.02470	60.8
99.00874	24.0
100.04041	8.0
100.92593	1.2
101.02433	0.4
108.95316	0.3
116.03535	8.9
117.92871	6.5
118.03008	9.0
118.05095	100.0
121.84527	0.3
123.32288	0.3
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
53.77018	0.2
55.39908	0.2
58.95206	0.2
92.22740	1.1
93.03449	0.5
106.24624	0.3
108.02185	0.5
121.02946	100.0
132.32625	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0295
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
50.69707	0.2
55.05265	0.2
56.17067	0.2
67.76074	0.3
71.62080	0.4
87.27234	0.3
93.03451	1.6
101.04250	0.3
108.02173	0.5
121.02946	100.0
123.30864	0.3
123.65330	0.3
125.25571	0.3
130.26360	0.3
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
52.28501	0.4
91.55088	0.5
93.03459	1.1
108.02160	0.6
121.02946	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	122.0247
Annotation	Isonicotinic acid
Peak:m/z	Relative Intensity
50.07748	0.9
52.45829	0.9
60.19830	1.2
62.62403	1.0
66.45985	1.2
68.01417	1.8
78.03483	23.2
81.59544	1.2
82.66897	1.0
84.22711	1.3
88.43508	1.2
94.02965	12.2
97.66157	1.1
102.43001	1.1
103.28211	1.4
104.16369	1.3
120.27769	1.2
122.02472	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06185	0.2
62.58290	0.2
68.84502	0.2
69.03446	1.1
70.20322	0.2
81.03455	29.4
84.58398	0.2
92.23091	0.3
97.02937	1.5
110.23297	0.2
120.32885	0.2
125.02436	100.0
142.71127	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0243
Annotation	4-HYDROXY-6-METHYLPYRAN-2-ONE
Peak:m/z	Relative Intensity
53.01511	0.2
54.25154	0.2
59.16846	0.2
60.35014	0.2
65.68882	0.2
74.30597	0.2
77.28963	0.2
79.13444	0.2
81.03454	29.9
86.72189	0.2
86.84121	0.2
97.02952	0.9
117.97952	0.2
125.02434	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11987	0.1
51.88306	0.1
65.96945	0.1
67.01897	0.2
69.03451	0.2
74.22899	0.1
81.03452	30.1
97.02934	1.0
105.13400	0.2
121.59517	0.2
125.02431	100.0
130.64220	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	125.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83742	0.1
55.01856	0.2
56.15860	0.1
69.03449	0.9
81.03455	29.2
97.02953	1.5
124.73467	0.1
125.02438	100.0
133.31599	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	125.0356
Annotation	Thymine
Peak:m/z	Relative Intensity
52.31341	0.2
54.03469	0.8
55.01873	0.3
55.24007	0.2
57.03479	0.2
59.01379	1.2
65.98061	0.2
67.03010	0.2
67.03830	0.2
68.01417	1.4
68.99815	0.3
69.03455	5.7
78.95893	0.4
79.01897	0.3
81.03458	2.2
81.04572	0.3
82.02965	0.2
83.01386	1.3
83.02512	1.1
95.01360	0.3
95.03320	0.4
95.52443	0.2
96.99312	0.2
97.02940	8.2
107.01432	0.3
110.01226	0.3
125.02454	32.8
125.03551	100.0
125.04270	3.5
134.02698	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	125.0971
Annotation	trans-2-Octenal
Peak:m/z	Relative Intensity
53.74879	1.2
55.01882	1.7
57.03443	7.9
58.62254	1.0
69.03447	15.0
76.60795	1.1
81.03449	8.5
83.01386	2.6
92.22435	2.7
95.56149	1.3
96.23985	1.1
96.82096	1.3
97.02930	14.2
97.06568	23.7
99.47935	1.1
123.08166	14.8
125.02441	100.0
125.03474	5.1
125.04390	5.8
125.06073	7.0
125.09715	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	129.0193
Annotation	Mesaconic acid
Peak:m/z	Relative Intensity
50.12711	0.1
63.48851	0.2
75.06943	0.2
85.02949	100.0
92.23164	0.2
129.01941	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	129.0193
Annotation	Mesaconic acid
Peak:m/z	Relative Intensity
51.79560	0.3
55.01870	0.4
57.03466	0.3
67.05528	1.9
71.01378	0.7
79.95694	0.3
85.02946	100.0
85.06590	2.2
87.82453	0.3
101.06079	2.2
103.83578	0.3
105.92933	0.3
129.01941	6.6
129.05571	1.5
129.07484	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0557
Annotation	Adipate semialdehyde
Peak:m/z	Relative Intensity
55.01884	18.8
57.03450	31.7
57.25081	1.4
57.28958	1.2
59.01373	8.6
67.01888	2.7
67.98407	1.5
68.99818	2.5
71.01380	39.4
71.09451	1.5
72.99303	2.1
73.02944	9.2
81.03456	11.3
83.05026	71.6
85.02946	43.1
85.06122	2.5
85.06591	47.4
86.02470	27.8
99.00837	2.0
101.02423	6.3
111.00889	3.1
111.04514	44.6
129.01945	22.2
129.03050	25.4
129.04005	2.4
129.05576	100.0
138.65878	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	129.0557
Annotation	Ethyl 3-oxobutanoate
Peak:m/z	Relative Intensity
50.98096	4.1
55.01875	32.2
57.03442	8.8
58.60330	5.4
58.93669	4.6
59.01384	4.7
66.13743	5.4
71.01382	32.6
78.94063	5.1
85.02939	57.7
95.48918	6.2
126.68639	5.9
129.01915	10.8
129.05586	100.0
143.99675	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	129.0558
Annotation	Adipate semialdehyde
Peak:m/z	Relative Intensity
51.32804	1.6
52.90945	1.5
55.01887	17.0
57.03448	21.9
59.01378	4.5
67.01894	1.9
68.99826	1.9
71.01373	31.2
71.98459	1.9
73.02927	3.3
81.03454	2.6
81.08476	1.7
83.05019	52.6
85.02947	47.8
85.06583	32.2
86.02489	7.8
111.04501	29.0
116.29037	1.6
129.01924	19.2
129.03036	8.3
129.05577	100.0
129.09151	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	129.0557
Annotation	Adipate semialdehyde
Peak:m/z	Relative Intensity
55.01880	8.4
57.03458	11.9
59.01388	3.3
64.99163	1.4
68.99815	1.8
71.01373	29.5
73.02946	1.5
75.70296	1.5
83.05038	11.7
85.02948	24.6
85.06580	14.6
91.02137	1.6
101.06059	3.3
103.48430	1.4
111.04537	5.9
113.73722	1.7
129.01967	13.3
129.02919	2.1
129.05569	100.0
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	Leucine
Peak:m/z	Relative Intensity
56.51704	0.3
69.77793	0.3
76.30662	0.3
84.08185	0.4
89.03201	0.3
113.06066	0.4
122.19002	0.3
130.08730	100.0
133.04498	0.3
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	D-(+)-Malic acid
Peak:m/z	Relative Intensity
57.03454	0.3
58.31734	0.2
58.45915	0.2
59.01381	1.3
59.17156	0.2
61.12784	0.2
71.01377	51.6
72.98889	0.4
72.99305	9.2
84.22356	0.2
87.00862	6.0
87.01386	0.2
87.04503	1.8
89.02438	10.0
107.41512	0.2
115.00363	100.0
133.01428	31.5
133.05066	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	133.0142
Annotation	D-(+)-Malic acid
Peak:m/z	Relative Intensity
59.01373	0.9
71.01375	48.1
71.58955	0.2
72.99300	10.4
80.48367	0.2
87.00879	2.4
89.02437	7.6
102.90456	0.2
113.69014	0.3
115.00359	100.0
133.01421	35.3
133.05040	3.5
140.85226	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	D-(+)-Malic acid
Peak:m/z	Relative Intensity
55.53927	0.2
56.78650	0.2
59.01375	0.9
71.01377	42.8
72.99303	9.5
72.99686	0.4
76.85895	0.2
87.00872	1.3
89.02437	7.0
112.83747	0.3
115.00359	100.0
133.01422	31.7
133.05063	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0142
Annotation	D-(+)-Malic acid
Peak:m/z	Relative Intensity
53.02531	0.2
53.65031	0.2
59.01379	0.9
62.37931	0.2
71.01376	45.5
72.99300	9.7
76.46822	0.2
87.00880	1.1
87.04518	0.2
89.02431	7.8
95.38835	0.2
104.51174	0.2
110.14263	0.2
115.00359	100.0
132.86795	0.4
133.01421	35.0
133.05054	1.0
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	1-Deoxy-D-xylulose
Peak:m/z	Relative Intensity
57.03444	0.9
59.01376	1.9
69.03433	0.3
71.01376	65.8
72.99302	12.3
74.28509	0.2
75.00871	3.6
79.86488	0.2
85.02968	0.2
85.21465	0.2
87.00866	14.2
87.04502	3.5
89.02437	18.7
89.04346	0.2
105.34673	0.2
115.00360	100.0
133.00630	0.5
133.01424	34.1
133.05058	50.0
154.18303	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	133.0693
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66280	0.9
60.42994	1.0
62.66350	0.9
65.77940	1.0
71.01379	46.5
71.21696	1.0
72.99325	10.0
87.00852	1.5
87.02723	16.5
89.02439	8.4
92.23141	1.1
100.27044	1.2
115.00364	100.0
115.05836	1.4
121.29493	1.0
131.05365	6.4
132.86792	5.8
133.01413	31.3
133.05078	6.3
133.06921	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	134.0472
Annotation	Unknow
Peak:m/z	Relative Intensity
59.47875	0.1
68.02539	0.2
78.03900	0.2
80.02547	0.2
92.02540	2.8
107.03630	12.3
116.00761	0.2
134.04726	100.0
137.58281	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	134.0473
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63408	0.2
57.97425	0.2
60.36774	0.2
71.01374	0.4
72.01716	1.3
72.99328	0.3
92.02545	2.4
106.04255	0.4
107.02512	0.4
107.03632	12.8
116.00702	4.0
120.11060	0.2
134.03772	6.5
134.04716	100.0
151.10849	0.3
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	Anthranilic acid
Peak:m/z	Relative Intensity
58.53204	0.1
65.03950	0.1
92.05054	100.0
108.02193	0.2
108.04541	0.4
131.66743	0.1
136.01755	0.5
136.04039	19.3
136.11668	0.1
142.64157	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	137.0244
Annotation	4-hydroxy-benzoate
Peak:m/z	Relative Intensity
51.33244	0.2
61.80919	0.2
65.03972	0.3
66.97492	0.2
67.64815	0.2
68.21126	0.2
70.04819	0.2
79.95733	1.7
81.03474	0.3
88.60574	0.2
93.03452	100.0
93.04603	2.9
94.02968	1.0
95.02527	0.3
108.02179	1.4
109.02962	4.0
109.04057	0.3
109.06582	0.3
118.80794	0.2
122.03741	0.5
136.01692	0.3
136.86304	1.1
136.89186	2.5
137.02458	40.1
137.03560	2.6
137.06096	2.0
137.07126	0.5
137.09796	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	137.0245
Annotation	4-hydroxy-benzoate
Peak:m/z	Relative Intensity
51.80094	0.2
55.96538	0.2
56.65018	0.2
57.27850	0.2
65.03961	0.5
65.93761	0.2
70.77516	0.2
93.03453	100.0
94.02930	0.2
108.02143	0.3
109.02966	2.0
116.07224	0.2
122.03710	0.2
131.00790	0.2
136.86307	1.0
136.89214	1.2
137.02448	40.4
137.06084	0.9
137.07217	1.0
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	4-hydroxy-benzoate
Peak:m/z	Relative Intensity
52.56468	0.1
52.92546	0.1
56.56132	0.1
60.15457	0.1
61.98803	0.1
65.03973	0.5
70.50877	0.1
72.40809	0.1
75.51705	0.1
93.03450	100.0
114.51542	0.1
137.02443	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	138.0197
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
57.87526	0.3
66.03481	0.6
70.60310	0.3
74.14720	0.3
77.23647	0.3
92.05014	0.3
92.23137	0.6
93.03455	0.6
94.02981	2.7
94.03739	2.0
94.04096	6.2
108.02168	26.3
108.04562	0.4
110.02440	0.5
123.03239	0.7
138.01967	100.0
138.05595	3.9
138.06601	0.7
150.05411	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0561
Annotation	Gabaculine
Peak:m/z	Relative Intensity
50.94654	0.3
66.86412	0.3
84.53316	0.3
89.36037	0.3
92.29930	0.3
94.03797	1.9
95.05022	1.8
99.18756	0.3
110.09035	0.4
120.04537	0.7
122.02515	0.3
123.03259	71.6
138.05609	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	143.0714
Annotation	7-Oxoheptanoic acid
Peak:m/z	Relative Intensity
52.89456	1.1
55.01865	2.1
57.03445	6.2
58.97412	1.2
59.01377	8.1
61.46685	1.2
67.03150	1.2
69.03434	2.3
71.01376	17.3
71.05015	10.7
72.99306	13.6
73.02938	3.0
79.95734	1.4
81.03444	6.3
83.01389	2.0
83.05022	5.9
85.02949	18.0
87.00890	1.8
87.04515	12.7
89.01437	1.3
89.71782	1.2
97.02955	4.9
97.06586	18.3
97.23727	1.4
99.04502	7.9
99.08148	27.1
101.02448	2.2
113.02423	6.1
115.03973	3.0
115.07629	3.0
116.02559	1.8
125.02415	8.5
125.05145	1.4
125.06070	42.9
143.02460	8.3
143.03528	22.2
143.04669	5.6
143.07129	100.0
143.10774	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	143.0713
Annotation	7-Oxoheptanoic acid
Peak:m/z	Relative Intensity
50.48182	0.6
53.94186	0.6
57.03455	7.4
59.01382	7.3
64.87863	0.6
69.03459	1.9
69.46721	0.7
71.01366	7.3
71.05012	3.2
81.03450	9.5
83.01360	0.8
83.05016	79.8
85.02955	6.1
87.00890	0.9
87.04530	0.9
97.02899	1.0
97.06596	10.6
99.04513	3.8
99.08149	51.5
106.23322	0.8
121.67317	0.8
125.06071	58.1
143.02498	1.3
143.03511	7.5
143.04718	3.7
143.07130	100.0
143.10768	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	144.0666
Annotation	L-2-Aminoadipate 6-semialdehyde
Peak:m/z	Relative Intensity
58.02980	94.1
58.36636	0.3
63.31767	0.3
64.61431	0.3
66.43362	0.4
70.06616	2.0
72.00901	0.4
73.02937	3.3
81.03462	0.4
83.05021	4.8
84.04552	0.4
85.02982	0.5
88.04037	0.5
100.04001	1.2
100.07687	11.4
102.05608	100.0
110.40759	0.3
114.05599	0.7
126.05626	2.7
144.04639	9.3
144.06660	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	145.087
Annotation	7-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
55.83362	0.3
59.01654	0.3
66.56345	0.3
69.03477	0.4
69.17676	0.3
83.05013	2.0
95.30824	0.3
97.06582	0.3
99.08151	100.0
105.73492	0.3
127.07630	2.8
129.50403	0.3
130.05298	0.3
143.07167	0.5
145.08704	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	145.0869
Annotation	7-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
71.69862	0.3
73.83005	0.3
91.11436	0.3
97.06585	2.3
99.08149	100.0
101.06063	0.5
102.13477	0.3
105.19507	0.4
113.49178	0.3
115.07610	0.8
127.07663	3.0
143.07143	1.4
145.08699	77.0
164.93944	0.3
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	4-Hydroxycinnamyl aldehyde
Peak:m/z	Relative Intensity
51.39252	3.2
55.48701	3.1
59.01375	20.8
65.41624	4.2
71.01398	32.7
72.99320	16.9
75.00864	7.1
83.80444	3.9
85.02945	16.8
87.00883	24.9
96.45290	5.0
99.00891	8.5
100.10332	3.8
103.05515	7.9
117.82365	4.5
119.05016	5.5
129.01924	24.5
147.01939	6.7
147.02991	20.2
147.04520	100.0
147.06627	28.1
165.39281	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	147.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.6
57.03448	0.5
59.01376	2.6
61.98828	2.2
71.01378	5.4
72.99293	0.9
75.00871	2.1
85.02931	1.5
87.00871	1.3
89.02439	0.5
99.00862	1.7
101.02473	0.4
109.48438	0.3
117.03427	0.5
119.05003	4.4
129.01941	4.6
129.03441	1.0
147.04517	100.0
163.12614	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	147.0451
Annotation	Coumarin
Peak:m/z	Relative Intensity
53.49011	1.3
59.01374	1.9
80.63934	1.5
103.05555	18.9
108.66850	1.6
119.05018	9.7
125.70057	1.5
126.24085	1.5
128.55035	1.6
129.01941	2.0
147.04523	100.0
153.92874	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	149.0455
Annotation	L-Arabinose
Peak:m/z	Relative Intensity
50.65861	0.2
51.89094	0.2
59.01379	3.7
69.03452	1.4
71.01377	19.0
73.02940	16.6
75.00875	0.5
75.52036	0.2
87.00867	9.6
88.20689	0.3
89.02437	100.0
99.38908	0.3
101.02421	0.6
103.04000	7.0
131.03496	16.9
149.04550	78.0
163.52684	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0454
Annotation	L-Arabinose
Peak:m/z	Relative Intensity
55.15194	0.3
59.01380	4.7
65.19331	0.3
69.03447	0.9
71.01375	19.4
72.99304	0.7
73.02938	18.3
74.52149	0.3
75.00867	7.0
85.02939	0.5
87.00863	10.2
87.31104	0.3
89.02435	100.0
93.79905	0.4
101.02419	0.8
103.04011	6.8
114.01855	0.3
127.58017	0.3
131.03490	19.3
134.03711	0.3
149.04543	87.3
151.28906	0.4
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	Vanillin
Peak:m/z	Relative Intensity
50.98407	0.1
52.54707	0.1
53.86284	0.1
54.51429	0.1
55.01867	0.1
59.01377	0.5
66.58289	0.1
66.77444	0.1
71.01374	0.8
73.02934	0.6
89.02415	0.5
92.02640	0.2
93.03432	0.1
95.01385	0.4
101.02435	0.8
107.05015	0.7
108.02168	2.1
108.04543	0.4
111.66690	0.1
123.00860	0.2
123.04543	0.7
133.03130	0.1
136.01656	100.0
144.56239	0.1
151.04004	14.7
151.05017	0.6
151.06093	0.8
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
54.68837	0.3
59.01388	0.8
66.05554	0.3
70.16152	0.3
71.01380	2.7
73.02930	0.7
81.02903	0.4
89.02415	1.8
92.24064	0.4
93.03458	0.5
95.05021	2.6
101.02433	1.8
106.04240	22.6
107.04997	2.4
108.02158	3.8
108.04536	0.7
121.06567	5.0
123.04519	4.3
124.28122	0.4
136.01660	37.4
138.03244	0.6
151.04002	11.2
151.05096	2.0
151.07637	100.0
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
50.38470	0.3
51.63326	0.3
53.87113	0.2
59.77533	0.3
63.60440	0.4
65.03970	8.0
65.04292	0.5
67.01894	3.0
73.84699	0.3
87.62209	0.3
91.01899	1.4
101.41434	0.3
109.02945	100.0
117.89505	0.4
135.00887	32.8
148.51093	0.3
153.01933	98.5
158.00455	0.3
167.71988	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0322
Annotation	Diethylphosphoric acid
Peak:m/z	Relative Intensity
54.50629	0.2
65.71908	0.2
78.95901	100.0
83.30205	0.2
96.96953	0.5
99.16017	0.2
104.52930	0.2
108.02143	0.2
109.02946	9.0
109.04084	0.4
110.00059	1.3
125.00089	78.8
137.99615	1.5
153.01929	3.5
153.03189	18.4
164.76595	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	153.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55761	0.5
57.03448	0.9
65.03967	0.4
66.52415	0.4
66.52767	0.4
67.47079	0.4
68.99807	3.9
82.13634	0.4
83.05013	0.6
85.02943	3.2
95.05022	0.5
97.02955	2.2
97.06573	4.7
98.03728	3.2
104.99150	0.5
108.02177	0.7
109.02943	39.1
109.06580	19.5
110.00099	3.2
119.68106	0.5
120.05798	19.8
121.06573	0.6
122.03706	0.5
123.04530	6.8
125.02418	2.3
125.09721	7.7
135.08163	65.4
137.06073	0.8
137.99612	3.7
138.06865	5.1
152.04782	4.6
153.00642	0.7
153.01930	18.1
153.05643	5.2
153.09207	100.0
159.65868	0.7
170.81763	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
61.24549	0.2
71.32988	0.2
74.16698	0.2
95.05006	0.3
96.00914	5.2
97.01687	2.3
99.50554	0.3
101.44227	0.2
110.02529	0.3
110.03283	0.5
111.08159	2.6
124.04027	0.5
131.85245	0.2
136.03966	0.3
136.07640	0.3
137.06029	0.5
138.68433	0.2
140.05055	0.2
151.76109	0.2
154.08736	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
61.24549	0.2
71.32988	0.2
74.16698	0.2
95.05006	0.3
96.00914	5.2
97.01687	2.3
99.50554	0.3
101.44227	0.2
110.02529	0.3
110.03283	0.5
111.08159	2.6
124.04027	0.5
131.85245	0.2
136.03966	0.3
136.07640	0.3
137.06029	0.5
138.68433	0.2
140.05055	0.2
151.76109	0.2
154.08736	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00668	2.5
57.00934	55.7
61.02044	2.1
64.15889	2.8
66.03455	2.6
67.03015	32.5
72.00906	2.5
80.03799	4.6
81.03321	4.0
81.04572	3.2
82.02979	2.9
82.04099	10.3
84.02010	18.9
84.97939	2.2
93.04577	31.5
95.02491	12.9
97.06559	4.0
107.04900	19.3
108.05669	3.2
109.07742	5.2
110.03306	14.5
110.06082	4.4
110.07204	12.0
111.09253	4.8
112.04084	2.8
121.07717	10.1
123.09278	100.0
124.04025	3.1
136.04053	4.7
136.05170	9.6
136.08835	4.9
137.03581	36.6
139.00342	2.3
154.01350	4.4
154.02475	4.0
154.05087	17.6
154.06207	86.5
154.08739	6.1
154.09846	73.1
154.12303	2.0
155.87985	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	155.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52295	0.4
59.01392	0.4
63.26484	0.4
68.72319	0.5
71.01412	0.6
93.03454	3.0
95.28154	0.5
111.08156	1.2
147.44920	0.6
155.03531	0.7
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	155.1077
Annotation	Nonane-4,6-dione
Peak:m/z	Relative Intensity
50.50467	0.7
53.10075	0.7
65.64544	0.7
82.58861	0.8
83.05031	1.5
93.03444	6.6
111.04496	1.7
111.08130	8.7
121.85108	1.0
140.01155	3.9
148.44458	0.9
155.10779	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	8.9
60.38904	0.5
69.03433	0.6
70.31744	0.5
83.02494	0.6
83.05022	0.8
85.06569	0.5
86.06123	0.7
87.04505	2.9
95.05003	0.9
99.00867	2.5
103.34560	0.5
111.08144	1.2
113.06091	13.3
113.09706	3.4
114.05600	74.0
115.00301	0.5
127.00355	3.5
139.05147	5.5
139.07634	1.3
152.48943	0.7
156.89471	2.8
157.05070	8.1
157.06181	100.0
157.08698	23.5
157.12296	5.5
157.13414	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.077
Annotation	Nicotyrine
Peak:m/z	Relative Intensity
57.03446	0.6
58.64600	0.5
59.01379	25.3
60.83512	0.6
63.90944	0.5
71.01379	0.8
72.94323	0.5
83.05018	0.6
85.02921	0.9
93.23583	0.6
95.05029	0.9
97.00444	1.3
97.02969	1.0
99.00871	2.9
109.04065	1.0
111.08142	3.1
113.03593	0.7
113.06071	2.4
113.09701	4.5
114.03058	1.1
114.05607	0.7
115.05910	1.2
120.99600	0.6
127.00393	4.3
128.05046	0.7
130.06602	2.4
131.84531	0.5
139.07646	1.1
142.02678	0.9
145.56131	0.5
156.89444	1.4
157.05174	4.0
157.07693	100.0
157.08746	16.4
157.12292	6.3
157.13484	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.087
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84715	1.4
57.03452	100.0
59.01385	7.3
69.03461	7.0
83.05009	2.9
85.06585	9.2
95.05045	2.9
97.06580	2.9
99.00867	3.2
99.08138	7.0
111.08160	12.0
113.09721	79.4
119.18905	1.8
127.00372	4.2
129.09167	2.8
151.68480	2.1
156.89552	4.1
157.05081	3.6
157.08708	99.1
157.12334	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	157.0869
Annotation	2-n-Propyl-4-oxopentanoic acid
Peak:m/z	Relative Intensity
59.01378	11.3
60.58566	1.0
67.05510	1.6
71.01375	9.0
109.06564	5.2
111.08118	4.5
113.09663	1.8
121.06614	1.3
127.00323	1.1
127.06700	1.8
127.07642	44.9
139.07660	26.3
140.86246	1.0
157.08691	100.0
157.12338	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	157.1233
Annotation	Nonanoic acid
Peak:m/z	Relative Intensity
56.86683	0.1
57.03440	0.2
59.01382	3.2
75.00871	0.5
85.02924	0.3
95.05039	0.4
97.02946	0.2
97.93143	0.4
99.00869	0.7
111.08141	1.4
112.92217	0.3
112.95448	0.4
113.06088	0.5
113.09703	2.0
114.93414	2.1
115.00312	0.2
115.71954	0.2
118.68454	0.2
127.00363	1.1
130.04106	0.3
139.07669	1.1
139.11298	0.3
156.86465	0.3
156.89491	1.7
156.94513	0.3
157.05164	2.1
157.08731	11.5
157.12331	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0663
Annotation	Pimelic acid
Peak:m/z	Relative Intensity
51.84550	0.2
57.03429	0.5
59.01383	0.6
63.16374	0.3
63.76136	0.2
67.80331	0.3
71.01385	0.5
73.02943	1.9
87.00840	0.3
94.33434	0.3
95.05018	11.0
97.06580	100.0
99.00906	0.6
111.00900	0.5
113.09731	1.2
113.62284	0.3
115.07635	39.7
129.01947	0.7
129.46992	0.3
141.05602	3.7
150.63971	0.3
159.03014	1.7
159.04462	1.1
159.06624	38.4
159.10263	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	159.1027
Annotation	(R)-2-Hydroxycaprylic acid
Peak:m/z	Relative Intensity
51.12547	0.5
54.90387	0.4
61.07187	0.5
70.36407	0.5
97.06560	0.8
107.86108	0.5
113.09713	14.1
127.00803	0.5
141.09134	1.0
157.08604	0.5
159.02943	0.5
159.10260	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02978	67.4
72.04562	0.4
79.65848	0.4
84.04541	4.9
98.02471	6.0
98.06122	1.7
112.04060	2.3
114.05612	2.8
116.03465	0.5
116.05046	0.4
116.07175	10.8
116.07986	0.4
118.05097	100.0
142.05095	22.1
159.89383	1.5
160.04092	0.9
160.06152	33.1
160.10583	0.8
165.42072	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02200	0.1
50.86829	0.1
57.03448	0.9
59.01377	2.9
60.68349	0.2
61.90005	0.1
65.80679	0.2
71.01381	1.7
73.02940	1.6
75.00865	0.2
81.03449	0.4
82.68108	0.2
83.01384	0.8
85.02949	4.5
87.00867	0.8
89.02439	0.4
91.05556	0.2
95.05019	0.2
97.02912	0.2
99.04513	1.2
101.02425	0.9
113.02393	0.2
117.03486	1.3
123.04505	0.9
126.63415	0.2
131.03514	1.6
133.02963	6.1
146.04887	0.2
159.04430	0.3
161.02440	100.0
161.04585	3.3
161.06038	1.9
161.07199	11.2
161.10867	0.3
171.88503	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	161.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	2.2
59.01383	2.2
66.19366	0.1
71.01387	1.0
71.87575	0.1
73.02937	1.2
75.00875	0.3
79.30153	0.1
81.03458	0.3
83.01377	0.3
85.02949	2.5
87.00867	0.6
89.02455	0.3
89.03966	0.3
95.05012	0.3
97.02935	0.3
99.04510	3.6
101.02459	1.4
106.31374	0.2
113.02431	0.2
117.03477	1.3
118.29745	0.1
123.04545	0.9
125.02422	0.3
131.03497	1.1
133.02954	7.0
148.77063	0.1
161.02444	100.0
161.04611	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	161.0455
Annotation	3-hydroxy-3-methyl-Glutaric acid
Peak:m/z	Relative Intensity
51.91850	0.4
57.03450	75.9
59.01100	0.8
59.01381	18.8
69.03416	0.5
71.01385	0.8
73.02931	0.9
77.48505	0.4
85.02949	1.7
99.04510	100.0
101.02438	32.0
110.76519	0.4
122.56702	0.5
135.81639	0.4
138.91873	0.5
139.26009	0.4
156.53194	0.6
161.04552	28.2
168.30432	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0455
Annotation	3-hydroxy-3-methyl-Glutaric acid
Peak:m/z	Relative Intensity
57.03450	66.8
58.07083	0.4
58.41158	0.3
59.01380	17.0
71.79440	0.3
72.57362	0.3
78.71159	0.4
85.73101	0.4
99.04510	100.0
101.02436	34.3
116.95607	0.4
117.05546	0.5
122.28551	0.4
126.27287	0.4
161.04549	24.7
164.53743	0.5
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	trans-2-Phenylcyclopropanecarboxylic acid
Peak:m/z	Relative Intensity
50.81609	1.0
55.01878	1.6
57.03451	25.9
59.01102	2.4
59.01385	55.6
59.01683	2.1
69.03449	7.9
71.01381	34.1
72.99291	5.6
73.02945	38.1
73.03352	1.7
81.03458	13.1
83.01378	19.8
85.02945	62.3
87.00858	13.2
89.02454	11.3
91.05526	51.5
93.56281	1.3
97.02946	10.9
99.00871	5.6
99.04511	30.7
101.02445	22.4
102.04572	1.2
104.86087	2.0
113.02452	7.0
117.03423	6.6
117.07104	46.1
119.05037	5.5
125.02447	7.7
131.03500	34.2
133.06607	3.1
135.04475	1.6
143.03528	3.2
160.89281	6.9
161.02461	2.9
161.03380	2.4
161.04561	59.4
161.06071	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08902	0.4
57.03445	2.9
58.02978	0.5
59.01385	4.1
69.03451	0.6
71.01382	8.9
71.05016	24.4
72.74454	0.5
73.02943	3.4
78.82370	0.5
83.01392	1.2
85.02953	5.7
87.00900	1.1
87.04506	11.5
97.02931	0.7
99.04513	74.0
101.02405	4.5
115.03999	30.4
115.04814	0.9
115.07626	6.7
117.05568	47.8
125.02446	1.1
131.03445	0.9
158.43152	0.6
160.89264	1.1
161.04608	6.7
161.08197	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0819
Annotation	Oleandrose
Peak:m/z	Relative Intensity
55.01874	1.3
56.52872	0.7
57.03192	1.4
57.03450	24.9
59.01382	28.0
69.03442	5.4
70.41524	0.8
71.01379	22.3
71.05021	17.0
72.99301	4.8
73.02940	16.6
75.00861	3.7
81.03460	4.6
83.01396	9.2
85.02947	29.2
85.03427	1.6
85.06593	2.1
87.00871	5.0
87.04501	10.3
89.02416	3.6
92.22499	1.1
93.03465	1.6
97.02946	5.9
99.00866	6.2
99.04509	97.6
101.02438	19.0
101.06020	1.0
113.02441	5.4
113.06087	2.2
115.03996	27.5
115.07642	12.0
117.05575	36.3
118.02977	1.5
125.02424	4.8
129.05602	1.6
131.03516	10.7
141.70876	0.9
160.89311	1.0
161.03520	6.6
161.04568	26.3
161.08192	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0401
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
69.16808	0.4
77.42442	0.3
84.73994	0.3
91.05526	6.4
93.03441	0.9
119.05019	100.0
133.86713	0.4
135.04552	0.4
153.88902	0.3
162.89249	0.5
163.04001	15.4
169.16403	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.04
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
52.94312	0.1
61.95136	0.1
70.56616	0.1
86.11826	0.1
93.03463	0.2
111.53183	0.1
119.05017	100.0
129.52931	0.1
139.24329	0.1
163.04004	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	164.0717
Annotation	Phenylalanine
Peak:m/z	Relative Intensity
55.49650	0.4
60.39537	0.4
69.52876	0.4
72.00903	28.6
72.41275	0.5
80.34825	0.4
91.05526	3.5
103.05532	2.1
104.73529	0.5
130.48944	0.5
147.04515	100.0
164.07167	55.0
170.02097	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0193
Annotation	Terephthalic acid
Peak:m/z	Relative Intensity
52.36335	0.1
58.19083	0.1
70.37411	0.1
71.26022	0.1
72.00954	0.2
72.51379	0.1
72.71810	0.1
72.99319	0.2
75.00867	2.0
77.03953	0.3
78.69003	0.1
85.76503	0.2
93.03467	0.8
96.96013	0.9
108.02174	0.3
109.02972	0.2
113.42066	0.2
119.05000	0.2
121.02950	100.0
123.04498	0.7
123.05592	0.2
127.94760	0.2
129.01941	0.2
137.02435	0.9
147.04507	0.3
148.04845	0.5
150.03198	1.9
164.89560	1.2
165.01923	10.1
165.04068	1.0
165.05536	2.0
165.09171	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	165.0403
Annotation	L-Lyxonate
Peak:m/z	Relative Intensity
54.67849	0.5
55.01885	4.0
57.03451	0.8
59.01383	6.9
71.01376	2.8
71.06172	0.4
72.99313	4.7
73.02940	0.8
75.00867	100.0
78.90906	0.5
85.02923	1.0
87.00867	37.3
89.02427	3.1
99.00874	8.4
101.02448	2.6
105.01931	28.9
105.02502	0.5
111.00840	0.5
117.01953	2.9
129.01944	15.0
147.03001	9.3
165.04042	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	165.0555
Annotation	L-(-)-3-Phenyllactic acid
Peak:m/z	Relative Intensity
52.24356	0.3
52.92590	0.2
55.58340	0.3
56.51061	0.3
62.03698	0.2
71.14179	0.2
72.99303	21.7
89.98049	0.3
91.05531	2.1
92.22512	0.6
103.05537	1.4
117.20561	0.3
119.05011	22.9
121.02962	0.5
144.55113	0.4
147.04518	100.0
150.03229	0.5
165.05565	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	165.0556
Annotation	L-(-)-3-Phenyllactic acid
Peak:m/z	Relative Intensity
55.46003	0.2
62.58863	0.2
65.91521	0.2
71.62236	0.2
72.64625	0.2
72.99304	21.6
75.00874	0.4
77.32030	0.3
82.18759	0.3
83.66449	0.2
91.05563	1.9
103.05549	1.8
119.05019	25.8
146.22273	0.2
147.04523	100.0
152.62796	0.3
165.05568	32.0
165.09280	0.6
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	L-(-)-3-Phenyllactic acid
Peak:m/z	Relative Intensity
50.82978	0.3
54.10239	0.3
54.84941	0.2
58.24762	0.2
59.48416	0.2
71.12363	0.2
72.99303	22.7
74.57336	0.3
75.00865	0.5
91.05540	1.3
92.22487	0.4
93.03464	1.1
94.59032	0.3
101.37672	0.3
103.05515	0.5
119.05016	26.6
121.02940	5.2
137.02432	0.5
147.04521	100.0
150.03236	1.2
164.89795	0.5
165.05565	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	165.1283
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
57.03455	11.7
66.91377	1.5
71.05048	1.7
73.04985	1.5
73.41510	1.3
77.17416	1.6
83.05040	2.8
89.75774	1.5
92.13561	1.6
104.17746	1.4
110.85893	1.4
111.08157	31.1
125.27532	1.6
129.56157	1.7
159.12529	1.6
165.12846	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	12.3
58.98727	1.8
68.08634	2.1
69.03475	2.1
69.42200	1.9
71.05027	2.1
73.45940	1.7
78.94725	1.7
80.02673	2.4
81.03461	9.0
83.05029	21.9
92.23169	2.5
92.48497	2.3
93.03421	2.3
95.05004	10.8
95.38299	1.8
97.06580	37.9
109.06564	3.2
111.08147	50.0
121.02948	24.0
137.02487	2.2
149.00949	4.2
149.15250	2.1
150.03233	3.0
161.20558	1.8
162.83060	1.8
163.11285	15.1
164.83601	9.2
164.89828	3.9
165.01970	8.7
165.05458	2.7
165.12833	100.0
165.14218	3.6
169.72360	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	165.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54248	2.5
56.17365	2.8
57.03446	6.8
61.87341	2.3
62.19807	2.5
81.03461	5.8
82.63204	2.5
83.05030	21.2
95.05013	4.4
97.06594	35.3
111.08137	41.3
119.05056	3.2
121.02943	74.7
129.46220	3.0
147.04462	10.5
149.00957	4.0
150.03203	14.5
158.49091	3.1
162.86020	2.6
163.11270	12.5
164.83612	51.1
164.89925	12.4
165.01973	15.6
165.05545	5.4
165.06718	4.0
165.12839	100.0
174.85806	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	167.0348
Annotation	Vanillate
Peak:m/z	Relative Intensity
54.57224	0.3
66.85018	0.4
73.80087	0.3
80.02668	2.6
83.57011	0.3
91.41199	0.3
106.10615	0.4
106.60656	0.4
108.02171	100.0
113.14168	0.4
123.04515	70.4
152.01149	8.8
163.87019	0.4
167.03497	64.2
180.46774	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.035
Annotation	2,6-Dimethoxybenzoquinone
Peak:m/z	Relative Intensity
55.61971	0.6
62.90092	0.5
68.20872	0.5
73.94363	0.6
91.01898	0.8
95.01378	1.2
95.05003	0.7
97.02952	2.1
108.02178	10.2
111.00878	1.0
121.02958	0.7
122.13431	0.6
123.00912	2.4
123.04510	10.4
123.08121	1.4
124.01655	34.6
125.02465	0.9
131.94859	0.6
133.52773	0.6
136.09579	0.7
137.02415	1.4
139.04013	31.7
152.01157	64.6
159.12738	0.6
165.01933	14.4
167.03500	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.035
Annotation	PHLORACETOPHENONE
Peak:m/z	Relative Intensity
57.03448	0.7
59.01381	0.7
63.05955	0.3
64.51798	0.3
65.00337	0.8
76.66631	0.4
81.03455	11.0
83.01379	5.8
86.96740	0.4
95.05020	1.9
107.01393	1.9
108.02187	4.8
123.04517	93.9
124.01640	0.6
124.34035	0.4
125.02446	7.0
133.08571	0.3
139.03986	0.5
149.02429	0.6
151.00389	6.2
152.01157	15.2
167.03497	100.0
167.07228	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	167.0349
Annotation	PHLORACETOPHENONE
Peak:m/z	Relative Intensity
62.35139	0.5
77.94958	0.5
80.05029	0.5
81.03448	8.4
83.01396	5.1
84.28840	0.5
93.03469	0.6
95.01392	0.6
95.05010	1.4
96.95999	1.0
107.01374	1.1
108.02167	8.7
111.00852	0.7
113.54458	0.5
113.88623	0.6
119.30061	0.5
123.00899	1.2
123.04517	84.8
123.08123	1.0
124.01612	1.3
125.02460	5.9
139.00383	0.7
139.04001	0.9
151.00360	4.2
152.01154	35.9
154.89328	0.5
166.89647	0.8
167.03499	100.0
174.91501	0.5
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	Unknow
Peak:m/z	Relative Intensity
52.01904	0.6
66.03492	0.9
67.47694	0.5
71.51540	0.6
81.42661	0.6
95.31438	0.5
96.58261	0.5
100.08540	0.5
122.09742	3.4
124.11323	3.6
141.73317	0.6
145.68074	0.7
153.00555	0.9
153.01620	1.3
154.37056	0.6
168.02937	0.8
168.10301	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.9994
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48266	0.1
57.09679	0.1
66.22983	0.1
68.50555	0.1
74.99059	0.3
76.96999	6.1
81.97233	0.1
94.98043	1.6
95.05023	0.2
107.05050	0.2
109.00425	0.2
126.98853	0.2
150.74698	0.1
150.98877	100.0
152.96803	13.2
158.31502	0.2
168.99940	13.6
169.04970	0.2
169.08623	0.2
170.97862	0.8
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	Unknow
Peak:m/z	Relative Intensity
55.01884	3.7
57.03424	0.2
57.72401	0.3
57.74378	0.3
60.29469	0.3
61.95195	0.3
69.03450	4.1
71.05017	25.1
75.08499	0.3
81.03468	0.5
83.05032	6.7
95.05025	1.2
97.06593	1.7
109.06587	0.3
123.08166	7.8
125.09718	100.0
136.66003	0.3
141.09201	0.5
169.08698	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	169.1234
Annotation	9-Decenoic acid
Peak:m/z	Relative Intensity
51.22474	0.9
66.03151	0.8
68.77719	0.9
83.05022	0.8
111.04501	0.8
119.77580	1.1
122.49723	0.8
125.06092	1.3
125.09703	6.1
137.08279	0.8
149.06123	1.0
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	171.0662
Annotation	4,7-dioxooctanoic acid
Peak:m/z	Relative Intensity
59.01374	3.1
71.01388	0.5
95.32481	0.3
109.06576	8.7
109.78877	0.2
120.78888	0.4
127.07644	100.0
171.06622	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	171.0663
Annotation	4,7-dioxooctanoic acid
Peak:m/z	Relative Intensity
56.87580	0.2
59.01384	3.5
67.76379	0.2
71.01379	0.4
82.37909	0.2
109.06577	7.8
127.07645	100.0
171.06635	1.8
173.83017	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1026
Annotation	9-Oxononanoic acid
Peak:m/z	Relative Intensity
56.92337	0.8
57.03436	1.3
60.59249	0.6
60.66947	0.7
71.05015	10.5
83.05007	1.2
97.06559	1.0
97.99478	0.7
99.08149	33.9
109.06599	0.9
125.09715	17.9
127.07675	8.2
127.11279	37.8
153.09230	7.1
171.02042	4.1
171.04375	0.9
171.10266	100.0
179.58568	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1026
Annotation	9-Oxononanoic acid
Peak:m/z	Relative Intensity
54.97649	0.3
55.06983	0.3
56.75045	0.3
60.50006	0.3
62.74061	0.3
62.75059	0.3
63.39434	0.3
80.37769	0.3
90.92887	0.4
99.08131	0.9
109.02938	0.3
111.01996	0.4
125.09685	2.0
127.07619	4.2
127.11269	6.0
139.09517	0.4
140.79231	0.4
153.09193	2.1
171.01982	0.9
171.10262	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0979
Annotation	N-Acetyl-L-leucine
Peak:m/z	Relative Intensity
57.03447	2.2
57.22000	0.6
57.31561	0.5
58.02958	0.6
60.30851	0.5
83.05022	5.0
109.06582	1.2
110.09689	0.5
111.08149	84.5
128.10802	16.2
130.08730	53.4
130.09506	0.6
146.85237	0.6
154.08723	2.9
172.09790	100.0
175.21928	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0818
Annotation	Suberic acid
Peak:m/z	Relative Intensity
51.32086	0.2
51.51150	0.2
53.42842	0.2
57.03452	2.5
58.00142	0.2
59.01387	0.3
66.56423	0.3
83.05025	6.8
88.62402	0.2
93.03478	0.5
104.40471	0.3
109.06571	1.6
111.08153	100.0
129.09210	7.2
131.07143	0.5
135.39041	0.3
152.31743	0.2
155.07118	0.4
173.08189	44.4
181.90364	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1182
Annotation	2-hydroxynonanoic acid
Peak:m/z	Relative Intensity
54.50158	0.1
59.34327	0.1
59.79198	0.1
62.60480	0.2
66.47111	0.2
67.01890	0.8
69.26736	0.2
71.01350	0.2
73.02936	0.7
79.30425	0.2
83.05017	0.2
89.60922	0.2
93.03459	3.2
106.50038	0.2
111.04520	1.0
118.65847	0.2
127.10357	0.3
127.11285	8.3
142.83517	0.2
149.30022	0.2
155.10803	2.5
171.10272	1.0
173.04546	0.7
173.11827	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.0771
Annotation	Calystegin B2
Peak:m/z	Relative Intensity
52.27433	0.4
52.47885	0.5
52.68310	0.5
54.19247	0.4
58.02978	18.8
59.01382	1.3
63.31911	0.5
67.74509	0.6
69.78896	0.4
76.21519	0.5
82.06653	0.6
84.23009	0.6
85.02939	2.5
86.06114	7.7
88.04046	1.3
94.03782	2.3
97.02939	0.6
100.04031	0.7
100.07677	32.8
112.01230	0.9
112.03986	1.2
114.05592	2.8
120.84375	0.5
127.34183	0.6
128.07172	100.0
130.05101	1.0
131.68623	0.5
132.06657	17.4
156.06644	3.3
172.06197	0.9
174.07713	91.9
174.11325	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	174.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	16.7
59.01376	1.1
69.03469	0.6
85.02939	0.5
85.85833	0.5
86.06102	7.5
94.03777	1.0
97.02943	0.4
100.07678	33.5
112.04058	1.9
112.04796	0.6
114.05594	2.0
115.03971	0.7
128.07169	100.0
129.89906	0.5
131.08202	0.7
132.06648	14.3
132.08582	2.0
156.06651	2.2
159.03294	0.5
161.01970	0.4
172.06187	0.7
174.07709	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	175.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.6
69.51878	0.5
85.02945	13.9
85.06580	26.1
93.03431	0.7
99.52066	0.6
101.06074	18.0
113.06075	55.9
115.04024	4.5
129.05568	28.0
129.09190	4.6
131.07130	45.1
175.06145	3.5
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	177.0556
Annotation	(3S)-2-Oxo-3-phenylbutanoate
Peak:m/z	Relative Intensity
53.08030	1.1
54.51963	1.2
58.00597	3.8
59.01380	26.3
63.30569	1.2
71.75869	1.4
77.72631	1.2
86.00092	3.1
88.12392	1.4
90.37431	1.6
91.05521	31.1
115.05538	16.5
116.55496	1.5
117.03454	100.0
119.05006	2.9
131.05019	59.4
131.06009	2.0
133.02948	2.2
133.06598	59.5
149.06073	37.9
162.03177	15.1
177.01836	3.1
177.03206	1.7
177.05559	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	178.9507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.2
61.55782	0.2
62.84872	0.2
67.02890	0.2
83.78551	0.2
87.00885	0.9
92.22553	0.2
119.93701	0.5
124.11530	0.3
134.96086	21.4
136.94006	100.0
151.92699	4.4
161.04549	0.9
176.79269	0.2
178.95067	72.9
179.05627	1.3
196.96097	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0561
Annotation	D-Galactofuranose
Peak:m/z	Relative Intensity
53.39109	0.6
55.06690	0.6
55.99570	0.5
58.00598	0.6
59.01381	42.3
69.03429	0.7
71.01377	27.7
71.04996	1.1
72.99306	6.6
73.02937	7.2
75.00864	81.7
81.03449	3.2
83.01362	1.2
85.02921	6.1
87.00865	22.2
89.01886	0.7
89.02435	20.2
95.01392	1.4
97.02943	1.3
99.00862	11.5
99.04540	0.8
101.02441	5.8
113.02422	3.1
113.51775	0.7
117.01917	4.0
122.50764	0.9
125.02463	6.9
136.94003	1.3
141.01952	3.1
143.03491	9.5
161.04553	24.2
177.04002	0.9
179.05609	100.0
196.06575	0.8
196.78665	0.7
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	D-Galactofuranose
Peak:m/z	Relative Intensity
51.13152	0.5
59.01384	15.5
62.92586	0.5
71.01373	4.9
71.05032	4.6
71.05385	0.5
71.89146	0.5
72.99309	6.0
73.02943	6.2
75.00865	100.0
81.03455	6.1
85.02924	1.1
87.00864	9.5
89.02432	2.4
97.02918	0.9
99.00871	21.7
99.04514	3.1
104.48962	0.6
125.02416	0.7
135.04482	0.7
136.07684	1.0
139.45668	0.6
143.03493	21.6
161.04570	9.2
162.05635	1.2
179.05612	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	179.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	8.7
62.71109	0.7
66.09826	0.6
71.01383	5.8
71.05007	3.0
71.49648	0.6
72.99293	7.4
73.02943	4.8
75.00866	100.0
81.03451	6.2
87.00856	7.9
89.02449	0.9
99.00876	23.0
99.04527	3.0
100.11773	0.7
118.17913	0.7
125.02422	0.9
143.03499	16.8
146.15251	0.7
161.04578	8.6
179.05618	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	179.0713
Annotation	U 0521
Peak:m/z	Relative Intensity
50.50491	0.7
51.41918	0.8
59.01383	60.0
59.61187	0.8
69.03509	1.1
71.01378	29.5
71.01736	1.8
72.99303	1.4
73.02951	2.0
75.00874	7.3
85.02943	8.2
87.00868	100.0
89.02440	19.9
91.05524	9.8
95.01385	4.5
97.02960	1.3
99.00886	3.7
99.27356	1.0
101.02447	8.2
113.02438	6.4
117.01947	5.1
117.07093	7.8
119.03502	4.0
121.02957	4.0
125.02464	1.9
130.44702	1.0
133.06581	22.2
135.04524	6.5
135.08211	1.0
136.01653	1.2
141.01947	1.2
149.02457	1.3
151.03990	2.3
159.02966	1.5
161.04570	16.6
161.06078	42.4
161.07347	2.0
164.01166	7.1
164.04756	4.9
179.01546	1.1
179.03513	6.8
179.05603	24.7
179.07146	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	179.0713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83252	0.3
54.68949	0.2
55.92282	0.2
57.21090	0.2
59.01382	7.0
61.80121	0.3
71.01376	2.9
72.83123	0.3
73.02914	0.3
75.00868	2.1
75.56375	0.2
83.06885	0.3
85.02924	0.6
87.00869	4.2
89.02435	2.0
92.23057	0.5
95.01383	0.4
96.95989	3.6
99.00877	1.1
101.02438	0.7
101.81569	0.2
113.02468	0.3
117.01961	0.4
118.99270	0.5
121.02936	0.5
123.39701	0.3
125.02406	0.4
134.03796	0.3
135.04532	11.9
135.08177	0.4
136.01654	0.4
142.19647	0.3
145.02960	2.0
146.03735	100.0
147.04515	2.3
149.02475	0.3
150.71735	0.3
151.03937	0.5
161.04578	3.7
161.06075	19.3
163.04004	2.2
164.01170	2.4
164.04791	65.7
167.06273	0.3
179.03755	7.8
179.05589	5.4
179.07143	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	180.0337
Annotation	Acamprosate
Peak:m/z	Relative Intensity
51.10159	0.4
51.70319	0.3
55.38879	0.4
60.01704	0.5
63.96249	2.0
66.03464	0.5
69.59309	0.4
70.06618	2.9
71.01397	0.5
79.95736	100.0
80.96526	0.4
88.02256	0.4
91.73795	0.5
94.02953	3.6
94.06588	0.6
108.04549	1.0
110.02467	0.5
111.89119	0.4
116.07167	51.5
119.05013	0.8
122.02475	0.6
122.99850	0.5
136.04039	2.2
136.07652	1.1
138.01964	0.8
148.04068	0.9
150.05554	0.5
152.03467	0.8
153.22475	0.4
163.04004	0.9
180.03354	67.7
180.06696	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	181.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71479	0.4
54.46864	0.4
56.16750	0.4
59.01369	0.5
77.88026	0.5
82.61134	0.5
83.01338	0.6
89.09830	0.5
96.96023	0.6
123.00929	0.8
124.01727	0.7
131.10730	0.5
137.06096	0.6
138.03226	7.7
139.04005	4.2
145.32263	0.5
151.00362	11.3
165.01945	3.5
166.02707	100.0
181.05067	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	181.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13536	0.1
59.01373	0.3
65.00315	0.8
92.22492	0.2
95.01369	0.8
97.02973	0.7
104.93896	0.2
105.03425	0.3
119.04890	0.1
121.02950	0.2
122.03671	0.3
123.00906	0.3
124.01636	1.3
137.06050	0.4
138.03224	8.7
139.04013	5.8
151.00366	3.7
155.89070	0.1
165.01927	3.5
166.02711	100.0
181.05077	80.1
198.01666	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42351	2.2
57.03453	3.1
59.01379	24.6
59.26567	2.1
67.60945	2.2
70.97646	2.5
71.04988	2.3
71.38618	2.4
72.02169	2.5
72.99305	3.5
80.04947	2.1
81.07143	2.9
86.00111	3.3
87.00879	9.1
87.66183	2.4
90.56678	2.2
95.05036	12.2
99.08148	5.5
107.05038	11.6
109.06590	19.0
111.08153	46.5
113.99587	100.0
118.13923	2.8
121.06585	17.1
123.04502	6.1
124.01649	2.8
125.06098	14.9
127.07642	13.4
137.06073	30.2
139.07652	21.2
139.11281	5.0
147.24600	2.2
152.98315	3.5
153.05566	4.2
155.07127	31.9
159.35306	2.9
165.05531	4.2
168.00629	4.2
183.03024	12.5
183.06659	48.0
183.10324	33.2
183.13783	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	183.1389
Annotation	gamma-Undecalactone
Peak:m/z	Relative Intensity
64.02238	1.4
72.83166	1.2
92.23141	1.6
129.29742	1.3
183.12253	3.3
183.13896	100.0
198.75528	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	183.139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71946	0.6
59.99151	0.6
68.01514	0.5
76.30621	0.6
81.72476	0.7
101.68808	0.6
126.63702	0.8
149.28954	0.7
172.06517	0.7
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	183.1388
Annotation	gamma-Undecalactone
Peak:m/z	Relative Intensity
52.18390	1.0
66.49792	0.8
77.66515	0.8
77.68996	0.8
80.46262	0.7
152.98227	1.1
183.13904	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0101
Annotation	Unknow
Peak:m/z	Relative Intensity
70.98501	17.3
71.50273	16.6
84.72659	17.1
110.06103	21.5
113.07195	31.6
114.20779	18.4
126.05637	20.2
128.38052	22.3
165.99107	23.2
184.01030	100.0
184.06015	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	184.9942
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02978	0.2
59.01359	1.8
70.02973	0.3
71.01381	0.2
74.99371	0.6
78.95896	5.5
81.00931	0.9
84.80118	0.1
87.00874	1.1
96.00872	0.1
96.04527	0.2
97.00447	0.7
99.01995	7.6
103.00365	0.6
110.03609	1.3
110.98521	13.8
111.01996	0.6
113.07171	0.2
114.05600	0.6
115.02509	2.4
117.00433	24.2
123.00622	0.2
123.04507	0.3
124.99919	3.7
127.01518	0.2
141.06715	0.9
141.09164	0.2
141.10292	0.2
142.02574	9.4
142.96616	2.4
152.99614	1.0
157.95328	0.1
159.01488	100.0
160.97646	2.2
168.00494	0.5
175.96371	0.2
181.13460	0.1
184.97719	0.6
184.99464	3.5
185.02167	4.5
185.04451	1.0
185.09332	1.4
185.11823	0.2
195.59660	0.1
202.98782	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	185.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
80.02679	0.6
84.88929	0.3
123.08154	100.0
137.19786	0.3
141.09218	69.3
185.08188	11.6
185.11797	4.1
185.54152	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1183
Annotation	3-Oxodecanoate
Peak:m/z	Relative Intensity
53.80183	0.3
59.01381	21.1
71.01375	4.5
71.05013	4.9
86.06960	0.4
87.04501	0.4
93.03461	1.5
97.06551	0.6
102.14860	0.3
111.08138	1.8
115.04002	100.0
123.04510	0.5
123.08173	0.5
137.02452	1.6
139.11269	1.5
141.09216	2.0
141.12817	0.7
167.10767	17.5
183.10225	3.3
185.11835	96.1
197.77785	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1183
Annotation	10-Oxodecanoate
Peak:m/z	Relative Intensity
51.57522	0.5
56.93248	0.4
59.01374	1.9
60.18187	0.4
71.07185	0.5
72.99514	0.4
93.03461	0.6
103.44733	0.4
110.04459	0.4
113.09678	0.5
115.31705	0.4
123.08164	3.8
137.02472	1.0
137.09686	0.8
139.11278	3.0
141.09236	4.3
141.12801	1.0
149.09735	1.8
155.10782	12.1
163.65515	0.5
167.10770	26.7
183.10181	0.8
185.04604	0.8
185.08308	1.9
185.11832	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01896	1.4
53.55880	0.7
69.39584	0.7
97.65089	0.9
100.04031	1.3
107.35106	0.9
122.09747	6.9
123.08168	1.3
124.08478	12.3
124.11302	5.4
125.09715	11.1
141.09145	1.6
142.09578	8.1
144.05553	0.8
150.09294	1.4
154.40411	0.8
168.10298	100.0
169.96889	0.8
184.08691	0.9
186.08641	1.8
186.11362	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	186.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25296	0.7
57.03439	1.2
65.01455	1.1
66.99020	0.8
76.52660	0.8
97.06590	7.6
106.04101	1.1
117.04575	1.1
120.05682	0.9
121.05189	13.5
123.08129	2.0
125.09713	100.0
132.05655	1.7
142.12361	8.3
144.05650	5.8
145.07692	4.6
145.18912	0.8
159.06738	4.4
168.10312	1.8
169.08687	1.7
170.07280	12.4
186.07991	7.7
186.10242	57.3
186.11417	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	186.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42597	0.2
55.59225	0.2
57.03200	0.2
57.03443	2.0
62.20633	0.3
83.05039	0.3
86.83711	0.2
97.06578	8.0
105.24863	0.3
111.60847	0.3
123.08149	2.8
125.09713	100.0
142.12384	6.8
150.37132	0.3
168.10251	3.1
169.08684	2.7
186.11359	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	187.0099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92484	0.3
59.01384	41.9
62.60899	0.3
66.66696	0.4
80.57512	0.4
115.02507	2.7
117.00438	5.5
125.09709	8.3
143.02037	3.1
144.99969	0.9
159.01497	100.0
174.39912	0.4
186.64919	0.4
187.00986	10.3
187.09727	4.0
187.13374	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.0
67.01891	0.5
71.05002	0.5
81.03451	3.8
99.04514	48.1
101.97157	0.5
115.03991	9.9
125.02435	100.0
125.06036	1.2
143.03508	12.6
143.07144	2.5
169.05109	1.0
169.74077	0.5
187.02486	15.6
187.06107	1.2
187.09615	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60012	0.4
57.03440	2.3
59.01372	0.5
59.16639	0.4
61.21443	0.4
64.27538	0.4
74.02480	0.6
85.76585	0.5
97.06573	9.6
108.90874	0.5
114.86169	0.5
123.08137	2.8
125.02481	0.5
125.09711	100.0
126.10081	0.6
127.34988	0.4
143.10759	2.9
169.08728	3.6
173.02341	0.5
174.28546	0.5
187.09760	51.8
187.13242	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	187.0977
Annotation	Nonanedioic acid
Peak:m/z	Relative Intensity
51.68904	0.1
57.03453	2.2
59.01379	0.4
69.03465	0.2
83.05027	0.2
95.05029	0.1
97.06581	9.2
98.33715	0.1
123.07265	0.2
123.08157	3.7
123.09029	0.2
125.09714	100.0
127.07596	0.1
143.10776	2.4
145.08772	0.2
169.08711	3.5
187.09763	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	187.0976
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
50.53940	0.4
57.03438	0.5
59.01382	60.1
69.03460	0.5
97.06615	1.1
99.07540	0.8
99.08149	16.4
101.97872	0.4
106.60352	0.4
113.90688	0.5
123.08195	0.8
125.09715	30.6
127.07647	18.5
143.10779	4.0
144.21159	0.4
145.08702	100.0
169.08711	0.6
185.38921	0.4
187.09752	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	187.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43451	1.0
58.02974	10.4
58.99594	1.1
59.01375	9.0
71.05019	1.9
73.76112	1.2
74.02460	19.6
83.01370	1.7
83.02512	2.0
83.05009	1.4
85.09570	1.3
88.04033	25.9
98.02478	2.2
99.04523	21.4
101.01761	2.1
104.83893	1.2
115.04012	10.2
116.07185	6.3
120.71167	1.3
125.02435	53.4
125.06030	1.7
125.09702	5.2
126.09225	8.3
127.03946	1.3
143.03485	7.2
143.07130	1.7
143.11899	63.1
144.01302	10.0
144.19710	1.2
187.02446	6.4
187.06198	1.7
187.10895	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.9
58.02975	7.3
59.01382	7.1
68.41645	0.6
69.03449	0.7
71.01385	3.0
71.05004	1.4
71.28727	0.7
73.02969	1.3
74.02469	48.9
74.54959	0.7
81.07102	0.9
82.06629	4.1
83.01379	0.9
85.02965	0.9
85.04051	2.4
87.00866	1.9
87.09352	1.0
88.04082	0.7
88.09566	0.8
97.06595	3.3
99.00854	1.0
99.04509	7.2
99.08155	9.1
109.42131	0.8
111.04518	1.3
112.07713	0.9
113.02509	0.9
114.09286	0.8
115.04010	1.4
116.05103	1.1
125.02432	11.9
125.06081	10.2
125.09716	20.5
126.09238	19.4
127.00350	1.2
127.01553	1.8
127.03976	1.0
130.46362	0.7
141.10419	1.5
143.03519	3.3
143.07156	5.4
143.11896	78.5
155.01003	1.8
159.01491	3.0
159.04581	0.9
169.05077	4.2
169.09868	1.0
175.12410	0.8
176.11954	0.8
184.49455	0.8
187.00784	3.6
187.02478	2.6
187.06310	18.8
187.10954	100.0
187.13550	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	187.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23949	0.7
59.01395	6.8
59.01633	0.9
62.63764	0.7
71.05018	1.5
73.04066	29.3
81.07091	1.2
83.05023	1.0
87.04516	0.9
97.06634	1.0
99.04522	0.9
113.06091	1.2
114.09222	1.8
114.93753	0.8
115.04013	4.6
125.02461	1.0
125.06082	11.9
125.09694	6.4
130.08734	100.0
139.03979	1.2
141.10362	1.8
143.07133	21.6
143.11899	69.9
169.05063	25.9
187.06171	23.8
187.10916	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	189.0518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30315	0.6
59.01383	7.2
59.02502	2.5
62.69358	0.5
70.02065	0.6
71.01376	56.7
74.02467	100.0
80.82862	0.5
83.05049	1.1
99.08137	1.1
103.59210	0.6
111.04499	2.5
117.03049	16.7
127.07645	29.4
129.05579	33.9
131.28726	0.7
146.04584	39.7
156.62842	0.7
171.06630	6.2
189.07684	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	189.0769
Annotation	(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate
Peak:m/z	Relative Intensity
51.40945	0.4
53.43196	0.4
56.32579	0.4
56.39319	0.4
59.01380	19.2
62.20641	0.4
83.05022	4.9
85.06582	2.2
86.09557	0.4
105.61328	0.5
109.06582	2.2
111.04504	7.2
127.07644	70.5
129.05574	100.0
145.04886	1.1
164.03673	0.5
171.06624	10.3
189.07704	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	189.0769
Annotation	(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate
Peak:m/z	Relative Intensity
57.03454	0.8
58.46643	0.3
59.01388	1.7
67.46913	0.3
80.63263	0.4
86.40753	0.3
99.08152	21.7
127.07647	27.2
129.05574	100.0
130.45279	0.4
145.08730	3.3
171.06656	6.6
189.07698	42.8
200.46640	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0197
Annotation	Citric acid
Peak:m/z	Relative Intensity
57.03455	4.3
59.56853	0.3
61.88302	0.3
67.01891	1.6
68.14254	0.3
69.83203	0.3
71.10188	0.4
72.99298	0.4
82.97417	0.4
85.02943	30.4
86.45476	0.4
87.00864	45.4
111.00870	100.0
112.01478	0.4
117.01961	0.5
129.01929	7.1
130.99883	0.6
173.00912	2.1
183.32652	0.4
191.01982	13.5
191.05614	0.6
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
57.03453	4.8
67.01885	1.8
71.16689	0.4
75.71539	0.3
85.02947	32.2
87.00867	43.5
111.00874	100.0
114.71356	0.3
117.01935	0.6
128.67357	0.4
129.01941	6.0
130.99878	0.5
138.35086	0.4
147.02951	0.3
154.99887	1.4
170.39241	0.4
172.56709	0.4
173.00940	2.8
191.01996	14.4
191.05626	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	191.0199
Annotation	Citric acid
Peak:m/z	Relative Intensity
52.11759	0.3
54.28378	0.3
54.86171	0.3
57.03447	5.6
59.01396	0.5
67.01889	0.8
67.36478	0.3
70.70275	0.3
71.31452	0.3
83.48641	0.4
85.02421	0.7
85.02946	27.8
87.00867	44.9
100.82719	0.3
101.06090	3.3
111.00874	100.0
111.69192	0.4
115.04034	0.7
121.49850	0.4
126.09589	0.3
129.01941	6.1
129.05554	0.5
130.99869	0.7
154.99886	1.5
173.00891	2.2
191.01996	14.2
191.05608	0.8
198.81293	0.4
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
54.52992	0.2
54.72754	0.2
57.03447	4.5
59.01383	0.4
60.22246	0.2
67.01875	1.2
72.99322	0.5
85.02941	28.8
87.00864	41.1
95.54620	0.3
101.02420	0.4
101.06059	2.5
111.00869	100.0
115.04008	0.5
129.01938	6.2
129.05560	0.3
130.99878	0.5
147.02962	0.4
154.99817	0.7
173.00900	3.0
191.01984	13.6
191.05615	4.1
192.15625	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0199
Annotation	(2S,3R)-2,3-Dihydroxy-5-oxohexanedioate
Peak:m/z	Relative Intensity
50.14837	0.3
53.48316	0.3
57.03449	5.2
59.01364	0.3
60.20904	0.3
65.60009	0.3
67.01892	1.8
67.05522	0.6
71.05009	0.6
72.99306	6.0
75.00883	0.4
85.02419	0.7
85.02528	0.5
85.02945	29.0
85.06568	3.0
87.00867	43.5
87.04511	0.4
99.04517	0.5
101.02461	0.5
101.06076	50.4
103.04006	0.4
111.00875	100.0
114.76941	0.3
115.04004	20.8
115.04820	0.7
117.09480	0.3
129.01933	6.8
129.05577	15.1
130.99841	0.4
133.71844	0.3
145.05064	3.2
147.06596	0.5
173.00926	2.3
191.02010	14.8
191.05638	20.8
205.11328	0.3
206.16273	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0561
Annotation	Quinate
Peak:m/z	Relative Intensity
55.89777	0.4
56.62254	0.4
57.03452	3.7
58.33516	0.4
58.47613	0.4
59.68956	0.4
67.01890	1.0
67.05537	1.0
72.23597	0.4
72.99302	10.0
75.00871	0.6
80.42020	0.4
85.02417	0.9
85.02944	26.2
85.06600	7.1
87.00868	40.3
87.04494	1.6
99.04521	0.7
101.02446	0.7
101.06075	100.0
111.00874	81.8
111.04557	0.5
115.03999	41.6
118.23363	0.5
121.10970	0.5
129.01927	4.8
129.05577	29.2
130.99905	0.7
145.05066	7.3
148.09975	0.5
154.99808	0.6
173.00916	1.8
191.01994	11.0
191.05627	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	191.0562
Annotation	Quinate
Peak:m/z	Relative Intensity
57.03448	2.3
62.22177	0.3
67.05520	2.0
71.05039	0.4
72.99297	12.7
75.00865	0.6
81.05006	0.4
85.02944	11.3
85.06583	7.9
87.00868	18.4
87.04508	0.9
99.04519	2.0
101.06075	100.0
106.85170	0.4
111.00871	41.8
111.04499	0.9
115.04002	42.8
126.65182	0.4
129.01929	2.7
129.05574	34.9
145.05070	7.7
147.06671	0.9
173.00954	0.4
173.04588	0.5
191.02010	7.1
191.05634	42.5
200.59517	0.5
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	5-Hydroxyconiferaldehyde
Peak:m/z	Relative Intensity
52.21464	0.6
54.23798	0.5
55.01879	0.9
57.03452	0.9
58.00600	0.8
59.01385	11.2
60.57645	0.5
67.36731	0.6
67.39127	0.7
68.98714	0.6
69.03459	5.3
71.01384	14.6
72.99315	1.0
73.02938	19.5
81.03449	1.6
82.90181	0.7
83.01374	6.7
84.02203	0.7
85.02950	22.3
86.00114	1.2
87.00867	15.6
89.02451	1.2
92.22482	0.7
95.01376	3.4
95.15848	0.6
97.02961	9.8
97.84117	0.7
99.00880	14.3
99.04610	0.7
100.45645	0.7
101.02435	32.5
107.01383	0.9
111.00918	2.9
113.02451	6.7
117.01961	0.9
118.33997	0.7
121.02921	1.2
123.00933	1.5
125.02419	11.0
133.02943	1.6
134.03738	100.0
137.02451	14.7
139.04005	5.0
140.01097	1.1
141.01950	8.0
142.02684	1.4
149.06073	25.2
155.03511	6.0
159.02876	0.8
161.04555	50.7
175.06128	1.4
178.02716	71.7
191.05609	1.4
193.05061	27.0
193.07166	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	193.0507
Annotation	5-Hydroxyconiferaldehyde
Peak:m/z	Relative Intensity
55.01875	1.0
55.05477	0.4
57.03447	1.5
59.01384	7.2
60.52367	0.3
65.13660	0.4
65.93189	0.3
67.19671	0.4
69.03448	3.7
71.01375	8.0
72.99303	1.0
73.02942	13.7
81.03442	0.7
83.01389	4.0
85.02943	15.8
86.00091	0.7
87.00866	9.7
88.35081	0.4
89.02420	1.7
95.01378	2.4
97.02939	5.8
99.00869	13.0
100.19547	0.4
101.02436	21.9
106.04202	0.7
106.83961	0.4
111.00893	2.1
112.01646	0.7
113.02432	4.0
117.03465	0.8
121.02940	1.9
123.00851	0.8
125.02442	6.3
127.03994	0.7
128.99963	0.4
129.01990	0.4
133.02951	1.9
134.03734	100.0
137.02431	13.2
137.27939	0.4
139.03989	4.0
140.01149	1.4
141.01939	7.2
142.02708	0.6
143.03458	0.4
149.06068	21.5
150.03145	1.4
155.02328	0.4
155.03477	4.1
157.05215	0.4
159.02974	0.7
161.04546	30.1
171.19202	0.5
175.06169	0.7
178.02710	65.2
191.05579	0.7
193.05075	29.0
193.07167	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	193.0507
Annotation	5-Hydroxyconiferaldehyde
Peak:m/z	Relative Intensity
55.01882	1.5
57.03428	1.4
59.01386	13.5
59.95317	0.7
67.04076	0.6
69.03452	6.9
71.01373	13.7
72.99306	1.8
73.02942	24.0
81.03452	1.1
83.01373	11.2
85.02941	27.2
87.00868	16.2
89.01297	0.9
89.02443	0.8
89.10789	0.8
91.63692	0.8
95.01359	3.4
97.02940	13.0
99.00877	21.6
101.02439	36.3
107.01340	1.0
111.00864	4.2
113.02449	6.5
115.03952	1.3
121.02946	1.5
123.00867	1.8
124.01673	0.9
125.02431	9.9
133.02927	1.8
134.03737	100.0
137.02437	13.2
139.03986	4.6
140.01183	1.8
141.01915	9.8
143.03473	0.7
149.06070	25.4
150.03180	1.1
155.03543	8.3
159.02994	1.5
161.04549	53.7
165.82233	0.8
173.04410	0.9
175.06041	1.3
178.02715	71.5
184.73926	0.8
191.05617	1.3
193.05067	31.4
193.07166	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	193.0507
Annotation	5-Hydroxyconiferaldehyde
Peak:m/z	Relative Intensity
55.01882	1.5
57.03428	1.4
59.01386	13.5
59.95317	0.7
67.04076	0.6
69.03452	6.9
71.01373	13.7
72.99306	1.8
73.02942	24.0
81.03452	1.1
83.01373	11.2
85.02941	27.2
87.00868	16.2
89.01297	0.9
89.02443	0.8
89.10789	0.8
91.63692	0.8
95.01359	3.4
97.02940	13.0
99.00877	21.6
101.02439	36.3
107.01340	1.0
111.00864	4.2
113.02449	6.5
115.03952	1.3
121.02946	1.5
123.00867	1.8
124.01673	0.9
125.02431	9.9
133.02927	1.8
134.03737	100.0
137.02437	13.2
139.03986	4.6
140.01183	1.8
141.01915	9.8
143.03473	0.7
149.06070	25.4
150.03180	1.1
155.03543	8.3
159.02994	1.5
161.04549	53.7
165.82233	0.8
173.04410	0.9
175.06041	1.3
178.02715	71.5
184.73926	0.8
191.05617	1.3
193.05067	31.4
193.07166	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	193.0507
Annotation	5-Hydroxyconiferaldehyde
Peak:m/z	Relative Intensity
55.01878	0.8
57.03458	1.9
58.00588	0.6
59.01383	11.0
69.03453	5.0
71.01381	12.2
72.99304	1.9
73.02944	19.9
79.01914	0.9
81.03474	1.9
83.01395	8.0
85.02949	19.5
86.00097	1.4
87.00869	14.3
89.02443	0.8
93.03455	0.6
95.01395	4.1
95.42654	0.3
95.93156	0.4
97.02949	10.0
99.00880	17.0
101.02441	29.5
107.01401	1.6
109.02998	0.4
111.00874	2.9
113.02453	5.3
117.01936	0.8
121.02956	2.5
123.00871	1.9
124.01627	0.6
125.02432	8.4
127.04047	0.5
129.01927	0.5
133.02960	1.8
134.03746	100.0
137.02441	14.7
139.04024	3.9
140.01164	2.2
141.01956	8.9
142.02713	0.9
143.03508	0.5
149.06088	21.3
150.03232	1.5
155.03513	6.4
159.02948	2.2
161.04562	40.8
175.06117	1.7
178.02725	73.8
191.05629	0.8
193.05067	32.5
193.07170	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	193.0718
Annotation	Methyl beta-D-galactoside
Peak:m/z	Relative Intensity
55.01875	4.1
55.25533	1.0
56.11392	0.8
57.03448	4.9
58.00609	1.3
59.01099	1.5
59.01380	28.2
67.27930	0.9
69.03456	13.4
69.44473	1.0
70.63714	1.2
71.01376	34.5
72.99302	4.3
73.02551	2.3
73.02942	48.4
75.00889	1.4
79.01895	2.0
79.16371	0.9
81.03451	6.0
83.01394	17.2
85.02945	45.0
86.00092	5.6
87.00863	33.3
89.02431	5.4
95.01379	7.0
97.02950	21.6
99.00874	38.4
101.02438	74.3
103.10900	1.2
111.00870	4.3
112.01671	1.5
113.02433	12.0
115.03998	1.6
117.01908	1.9
119.16982	1.1
123.00887	6.1
125.02436	22.4
127.04007	2.5
140.01163	6.9
141.01955	22.8
142.02707	2.4
143.03520	1.0
155.03488	14.3
159.02962	4.4
161.04552	100.0
173.04446	1.1
175.06125	5.1
191.05595	1.7
193.07184	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	193.0717
Annotation	Methyl beta-D-galactoside
Peak:m/z	Relative Intensity
52.47207	0.8
53.73424	0.8
55.01873	2.0
57.03446	4.4
59.01385	27.6
59.25920	0.9
60.66820	0.8
65.46029	0.9
67.63135	0.8
69.03460	9.8
71.01374	30.4
72.99307	4.1
73.02940	48.1
79.01875	1.5
81.03451	4.3
82.50309	1.0
83.01373	18.3
85.02949	50.8
86.00095	2.3
87.00870	37.7
88.22409	1.0
89.02458	2.4
95.01385	10.7
97.02948	26.3
99.00873	39.7
101.02438	71.1
107.01404	1.5
111.00861	4.7
113.02450	16.0
115.03948	2.1
117.01908	2.2
123.00880	4.3
125.02432	24.2
127.04014	1.9
129.01874	1.3
131.03487	4.2
140.01154	6.1
141.01952	23.4
142.02756	4.2
155.03513	12.3
159.02965	2.1
161.04558	100.0
175.06134	6.6
191.05692	4.8
193.07191	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	193.0718
Annotation	Methyl beta-D-galactoside
Peak:m/z	Relative Intensity
54.65133	0.9
55.01874	2.4
57.03440	4.5
58.00592	1.1
59.01379	30.9
68.99801	1.2
69.03455	12.5
69.34565	1.1
71.01378	32.1
72.99302	2.3
73.02940	49.6
73.70651	0.8
75.00860	1.2
77.79362	1.0
78.76598	0.9
79.01881	1.9
81.03462	6.9
83.01389	15.5
85.02945	52.3
86.00090	4.3
87.00866	36.9
89.02419	2.4
95.01360	7.9
97.02938	21.2
99.00871	38.9
99.54547	0.9
101.02438	74.0
107.01327	1.4
111.00869	6.4
113.01337	1.2
113.02451	13.7
115.04002	4.2
117.01945	2.1
123.00871	4.7
125.02418	24.5
127.03941	1.6
134.03766	2.3
140.01137	5.3
141.01949	21.8
142.02740	4.7
153.83501	1.1
155.03526	12.9
159.02985	4.6
161.04550	100.0
175.06142	4.1
178.02710	1.9
191.05548	1.7
193.05411	2.3
193.07190	72.7
194.67134	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.9282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53464	3.8
59.01381	7.1
62.04162	4.3
74.58619	4.0
84.42264	4.0
95.87128	5.1
96.95995	63.0
105.89239	4.4
121.03024	5.9
124.04029	4.4
128.58003	4.9
135.88924	4.4
148.90994	4.9
150.03229	37.2
150.92514	8.8
151.04039	4.4
152.91759	100.0
152.94489	23.4
152.98012	8.8
165.01906	8.5
165.05553	33.6
167.90379	6.4
176.64369	4.2
180.04338	56.6
194.92810	62.0
194.95581	19.4
195.06549	32.1
195.10263	25.2
202.72308	5.1
212.93735	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	195.051
Annotation	D-Gluconic acid
Peak:m/z	Relative Intensity
53.31083	0.7
57.03440	3.7
58.28184	0.8
59.01376	18.1
70.17593	0.7
70.99464	0.8
71.01379	7.7
72.99303	3.9
75.00866	82.2
85.02948	8.0
85.03351	0.8
85.86703	0.8
87.00872	12.5
89.02437	8.4
96.95995	5.0
99.00872	13.8
101.02456	1.8
105.01922	8.7
111.00846	3.2
129.01933	30.9
141.01949	3.6
147.02980	4.0
157.51472	0.8
159.02966	9.6
159.69650	0.8
177.04050	11.3
195.05112	100.0
209.41383	0.8
213.74777	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13557	0.8
54.37445	0.8
57.03453	4.7
59.01144	1.0
59.01381	18.0
62.52492	0.8
63.18616	1.2
63.22314	1.3
71.01371	9.7
72.99290	1.9
73.06806	0.9
75.00866	84.8
83.01414	1.0
85.02938	10.0
87.00864	17.8
89.02452	10.3
89.02928	1.4
96.95993	3.7
99.00876	16.0
101.02438	2.4
105.01946	7.0
111.00867	3.6
129.01932	32.4
141.01949	2.4
147.03004	2.2
159.02997	10.6
163.05043	1.8
177.04042	15.8
195.05107	100.0
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	2,3-Dihydroxy-p-cumate
Peak:m/z	Relative Intensity
53.05571	1.2
58.00598	2.0
59.01379	8.2
64.00575	1.4
72.99310	18.7
75.00861	27.2
80.41341	1.4
91.05523	31.8
91.68701	1.4
96.96001	6.9
97.02947	1.6
98.02431	1.7
101.02451	2.5
103.00349	6.7
115.05500	6.8
117.03428	3.6
123.04494	2.6
133.06589	8.2
134.03691	6.7
136.01662	69.6
136.04297	5.6
136.05249	3.4
149.06073	16.0
150.03180	7.2
151.03998	10.2
163.04988	10.7
165.01862	2.3
165.05588	14.1
177.05513	13.6
180.00638	6.3
180.03035	2.7
180.04396	3.3
195.02992	22.4
195.04866	3.3
195.06633	100.0
195.10283	2.8
202.08858	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	195.1391
Annotation	Ethyl(E,Z)-decadienoate
Peak:m/z	Relative Intensity
114.02752	1.0
177.12822	2.1
195.13908	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	195.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31913	0.7
51.93091	0.6
59.01373	3.3
74.05399	0.7
90.79460	0.8
147.37329	0.8
165.01971	0.9
176.89470	1.5
177.12868	1.8
194.90567	3.2
195.13914	100.0
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	Geranyl acetate
Peak:m/z	Relative Intensity
59.01367	1.5
130.56950	0.8
136.71025	0.8
162.47624	0.8
163.49924	0.9
177.12836	4.6
195.13916	100.0
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	Unknow
Peak:m/z	Relative Intensity
57.03441	1.8
58.23576	0.7
69.03423	1.0
78.87205	0.8
97.06577	3.0
99.62818	0.9
101.90263	0.9
109.45778	0.8
121.02891	1.1
123.00865	1.5
138.03218	1.7
153.12859	26.7
166.99893	4.5
169.12315	4.4
171.84644	0.8
175.92476	0.8
179.10786	5.5
182.02182	9.3
197.02251	0.9
197.04526	2.0
197.11845	100.0
197.15471	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	197.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44853	0.3
69.03442	1.4
71.05014	6.2
71.66470	0.3
97.06584	1.5
99.04558	0.4
137.09718	5.7
138.03136	0.5
151.11279	0.8
153.09229	0.5
153.12862	11.5
166.25296	0.3
166.99892	0.8
169.12332	11.5
179.10808	2.1
182.02205	2.2
183.00827	0.3
197.11847	100.0
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	Unknow
Peak:m/z	Relative Intensity
59.66716	0.6
69.03468	0.9
75.10178	0.6
95.90131	0.6
102.92742	0.7
151.11349	0.8
153.09206	1.0
153.12823	3.7
165.45706	0.6
169.12344	15.1
179.10803	0.8
182.02197	1.2
197.11853	100.0
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	Unknow
Peak:m/z	Relative Intensity
56.55898	2.4
58.88564	2.2
76.31773	3.0
90.37812	3.1
92.22498	3.2
112.27251	4.0
123.00845	5.9
125.19832	3.0
138.03230	3.9
153.12915	3.5
165.16870	2.9
166.99861	13.6
169.12358	6.4
182.02254	26.4
196.89542	4.9
197.04608	5.4
197.11868	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	197.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
71.29272	1.0
85.30692	1.3
101.01862	0.9
109.30103	1.2
116.92844	5.9
123.00858	2.2
138.03207	1.1
150.05908	1.1
153.12827	11.4
165.12868	2.4
166.99884	1.3
169.12338	17.7
179.10835	2.3
182.02200	9.5
196.90358	1.1
197.04573	2.1
197.11835	100.0
214.91858	1.2
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
68.96111	1.2
69.20343	1.1
69.66263	1.0
71.05035	1.3
81.03448	1.3
121.02937	1.7
123.00864	4.8
125.09660	1.5
138.03204	4.8
153.05611	2.0
153.09190	2.2
153.12839	12.7
163.58525	1.4
166.99884	6.3
169.12340	7.4
174.35826	1.3
182.02213	14.3
197.04562	3.0
197.08089	2.1
197.11839	100.0
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	Unknow
Peak:m/z	Relative Intensity
55.53770	0.3
57.03445	0.7
60.69065	0.3
61.42471	0.3
69.03450	0.8
70.31089	0.3
71.05012	2.8
71.53138	0.3
71.94856	0.4
81.86443	0.3
106.48795	0.4
125.09696	1.5
129.40416	0.4
138.03204	0.4
153.12846	4.8
166.99829	0.7
167.57387	0.4
179.10783	1.9
182.02266	0.9
197.11842	100.0
199.96852	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75365	0.6
56.41413	0.6
56.78591	0.6
57.03437	2.7
58.17982	0.6
60.06158	0.7
61.05679	0.6
79.80915	0.8
81.03440	1.2
83.05027	8.3
93.28835	0.7
95.05033	1.8
96.35754	0.8
97.06586	21.4
101.37547	0.7
109.06548	1.4
111.08151	16.8
127.60049	0.7
135.08243	0.8
137.09706	0.9
141.81660	0.8
147.11784	1.4
147.59711	0.7
149.09724	1.2
153.12856	1.5
163.11273	7.9
165.12840	100.0
166.99794	1.0
182.02196	3.4
197.04573	1.1
197.11844	7.7
197.15495	1.2
209.11876	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	199.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49668	0.5
55.90610	0.4
59.01377	1.4
73.02966	0.6
83.05048	4.4
85.57883	0.5
87.85970	0.5
89.11417	0.5
137.09727	11.9
155.10785	100.0
171.10281	0.7
181.08655	4.2
199.09778	26.9
199.13425	40.3
199.16997	5.2
204.11972	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17558	0.2
57.03458	0.2
59.01377	0.2
64.66528	0.2
69.24636	0.2
70.90279	0.1
78.69830	0.1
82.16965	0.1
83.05034	0.3
137.09723	5.6
155.10783	100.0
157.10164	0.2
175.79289	0.2
181.08704	0.8
199.09779	9.1
199.13397	2.9
199.17044	1.2
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	UNII-UOM92D5748
Peak:m/z	Relative Intensity
53.01513	0.3
63.31772	0.3
71.05002	0.5
78.65466	0.3
97.98752	0.4
125.09729	0.8
127.11311	3.3
153.12813	0.4
155.14386	0.5
181.12361	0.6
197.11836	1.7
199.13406	100.0
210.13475	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	199.134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89394	0.2
57.23339	0.2
57.46478	0.2
59.01372	1.0
63.77829	0.2
70.71756	0.2
71.05043	0.2
72.06842	0.3
73.02941	0.3
83.05029	0.3
96.32558	0.2
115.73550	0.3
125.02476	0.3
127.11327	0.3
133.61761	0.3
137.09763	0.3
142.34480	0.2
153.12843	1.1
155.10818	1.2
158.85020	0.2
159.05937	0.3
163.11305	0.6
169.12347	7.6
181.12346	20.5
197.11871	1.6
199.13416	100.0
199.17023	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	199.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58067	0.3
57.03423	0.4
59.01388	1.0
71.05015	0.5
73.32341	0.4
74.31892	0.4
80.30871	0.4
82.41068	0.4
86.11796	0.4
87.55689	0.4
97.18660	0.4
125.09689	0.9
127.11276	3.9
137.09680	3.1
153.12836	0.9
155.10780	51.7
157.08731	3.1
158.72464	0.4
159.65269	0.4
167.66672	0.4
171.10190	0.6
181.08688	0.5
181.12357	1.7
197.11853	1.0
199.09740	5.2
199.13414	100.0
208.75409	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1704
Annotation	Isolauric acid
Peak:m/z	Relative Intensity
58.52340	0.4
111.26420	0.5
128.00764	0.5
132.30878	0.5
199.17043	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38006	0.2
57.18859	0.3
57.82133	0.3
58.02971	0.5
61.57946	0.3
72.41370	0.3
79.95723	11.4
83.02501	3.8
84.04572	0.4
97.07716	2.4
99.00898	0.4
108.04545	2.1
116.07205	1.4
126.05604	4.6
141.06729	0.5
156.10295	0.8
172.00743	90.2
182.08144	0.7
200.00247	100.0
200.09267	1.3
200.13911	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.1292
Annotation	L-2-amino-8-oxodecanoate
Peak:m/z	Relative Intensity
52.54388	1.1
53.78988	1.0
57.03433	1.0
59.00661	1.2
80.16583	1.1
89.17237	1.1
90.36340	1.2
91.47855	1.1
95.15697	1.2
95.75014	1.2
98.54781	1.2
139.11288	60.7
144.88614	1.3
156.13963	2.3
158.35722	1.3
170.30388	1.3
182.11899	2.9
183.10271	25.6
192.67563	1.5
200.12930	100.0
201.11371	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	200.9864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96281	0.1
56.85920	0.1
58.28266	0.1
59.01381	2.9
60.52276	0.1
80.96528	0.2
81.62395	0.1
83.38351	0.1
87.00851	0.2
87.04539	0.2
88.04041	0.2
89.00650	0.2
90.94563	0.1
95.04991	0.1
96.11172	0.1
97.06578	0.2
104.97144	0.1
111.08151	0.2
121.02949	100.0
125.09762	0.2
137.73170	0.1
137.88206	0.1
139.07648	0.8
144.04489	0.2
157.06577	0.1
157.07603	1.1
157.08780	1.1
157.13512	0.2
181.82730	0.1
183.06619	0.3
200.98640	8.6
201.02565	0.3
201.07730	2.0
201.11024	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0256
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87299	0.3
57.03500	0.4
57.41972	0.3
59.01383	100.0
77.68398	0.4
86.02482	3.7
88.04041	2.7
92.75939	0.4
92.77152	0.5
103.00302	0.6
103.04037	0.5
114.05598	0.8
141.00504	0.4
157.03561	9.0
157.06250	0.8
157.13435	0.7
159.01471	5.1
172.07222	0.4
174.99210	5.0
175.02769	0.7
201.00677	0.6
201.02562	16.7
201.04266	0.8
201.12474	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	201.0256
Annotation	5-Hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxylate
Peak:m/z	Relative Intensity
55.26699	0.3
58.04338	0.3
59.01380	100.0
63.02302	0.3
63.14162	0.4
69.96582	0.4
72.42716	0.3
87.58351	0.4
89.92721	0.4
90.72337	0.4
146.32735	0.4
157.03545	10.0
159.01482	2.5
201.00659	0.7
201.02563	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	201.0518
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33575	0.7
57.03446	0.8
59.01380	13.4
59.34722	0.6
61.17401	0.7
65.67944	0.7
66.03880	0.7
66.50114	0.6
70.02974	2.8
71.01396	0.7
71.05013	1.0
73.36200	0.7
81.03452	0.9
82.02979	8.9
83.01378	6.5
87.00905	1.3
87.04466	1.1
87.05634	5.9
88.04039	5.6
98.02467	43.3
99.00885	3.1
99.04522	1.3
101.06094	3.8
113.02452	0.8
113.06094	1.7
115.04002	3.3
125.03555	73.5
125.09691	4.2
126.01960	82.6
129.10324	3.0
130.08727	20.2
139.04036	0.8
139.07664	5.0
139.11334	1.0
140.03650	0.8
140.10796	6.3
141.05585	0.8
157.05005	1.1
157.08701	4.5
157.13452	61.4
158.89345	1.2
169.02530	12.2
183.04187	1.5
183.06659	3.3
189.56920	0.8
201.02516	2.5
201.05241	12.1
201.07710	26.3
201.12482	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92111	0.5
57.03445	1.3
58.02977	32.7
59.01377	4.7
59.98532	0.7
72.00903	6.7
84.04538	56.6
86.02446	9.3
88.04019	1.0
96.82751	0.8
98.06116	15.9
99.00867	7.1
112.04037	26.7
114.01958	4.7
116.07076	0.8
118.05086	6.9
125.09710	3.5
130.08701	0.9
134.43187	0.7
142.05093	100.0
157.13425	1.6
159.07735	9.2
160.06178	1.3
201.08974	6.7
201.11089	1.3
201.12550	3.5
201.14999	1.1
203.36331	0.7
210.00163	0.7
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	Sebacic acid
Peak:m/z	Relative Intensity
54.18046	0.8
55.11581	1.0
57.03445	4.4
59.01367	7.1
73.66146	1.0
95.73590	1.0
111.08134	2.8
120.60524	1.1
139.11292	100.0
183.10271	49.0
192.22452	1.2
201.11339	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	201.1134
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
57.03446	3.6
59.01375	3.7
62.92018	0.6
65.82793	0.6
85.08641	0.6
97.06584	12.1
110.20464	0.7
123.08180	6.3
125.09716	100.0
169.08710	1.3
201.11362	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	201.1134
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
57.03455	24.6
58.00588	1.5
59.01386	8.9
59.38458	0.7
65.82133	0.8
69.03460	0.7
71.05020	4.6
71.14071	0.7
73.02950	3.0
83.05016	4.2
83.16866	0.8
85.02946	10.6
85.06591	3.0
85.32501	0.8
85.53922	0.8
86.03721	4.0
87.04507	87.3
94.12214	0.7
97.06580	2.9
101.06057	7.8
113.06080	50.1
121.10232	20.7
125.06098	0.9
125.09727	6.8
127.07649	1.3
127.11291	3.4
137.09703	10.0
139.11288	25.0
155.10768	21.4
157.08705	1.4
157.12340	5.1
165.09171	1.2
183.10266	8.2
199.09772	0.8
201.02679	1.1
201.11334	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89354	0.2
57.03446	1.2
58.00591	1.0
59.01378	1.3
73.02937	0.4
92.23046	0.4
125.09717	5.8
127.11276	9.1
132.24550	0.2
137.09708	1.2
139.11295	1.8
153.09151	0.3
155.10789	3.8
157.12355	0.9
159.25888	0.2
162.89578	0.2
165.09215	3.2
171.10289	3.0
183.10248	1.7
199.09775	3.6
201.11342	100.0
221.23288	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1134
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
52.72623	0.6
52.98672	0.6
55.01895	0.7
57.03442	2.9
58.00585	0.9
59.01104	0.9
59.01383	18.8
69.03458	1.4
69.48307	0.6
70.22779	0.6
71.01379	1.3
71.05012	5.8
76.34708	0.6
78.53160	0.7
85.02959	1.6
87.04515	9.4
91.43244	0.7
94.30231	0.6
97.06566	1.4
101.02470	0.8
101.52097	0.8
113.02470	6.0
121.04277	0.7
121.10231	4.6
125.09739	5.7
127.11293	8.2
127.89124	0.7
131.03473	4.0
131.29134	0.7
137.09692	1.3
139.11292	8.5
155.10771	5.7
157.03639	1.4
157.08633	1.0
165.09219	4.9
171.10269	3.1
183.06725	0.8
183.10257	18.5
199.09830	4.4
201.02559	1.6
201.11346	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1246
Annotation	H-Ala-Ile-OH
Peak:m/z	Relative Intensity
51.95083	0.6
52.84417	0.6
59.01383	3.4
70.02970	0.8
81.03452	1.5
85.87601	0.7
87.05629	11.2
87.42675	0.7
88.04066	0.6
103.15356	0.7
103.84256	0.6
109.92515	0.6
114.09286	0.8
116.67798	0.8
125.09728	0.7
129.10324	0.9
130.08734	31.8
139.07687	1.0
140.10834	6.4
141.10339	0.6
157.08725	2.7
157.13455	54.8
183.06635	0.9
201.07698	5.7
201.12468	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00422	0.6
52.83480	0.6
57.03440	1.4
58.02967	1.4
59.01371	4.0
60.99305	0.7
61.22725	0.6
69.03451	48.8
69.20745	0.7
70.03017	0.6
70.54964	0.6
71.01377	31.1
72.99294	6.6
75.00881	2.9
79.01910	5.5
83.01392	0.7
85.02939	7.1
85.21598	0.7
86.06123	0.8
87.00857	11.2
87.05648	0.9
87.06450	0.8
88.04017	1.3
95.01384	4.3
97.02939	88.0
98.51211	0.9
99.00861	1.4
104.97682	0.9
111.00862	4.4
113.02422	2.4
113.03591	0.7
115.00337	9.2
115.03977	0.9
116.07175	1.1
117.01934	0.7
118.05031	1.4
123.00826	5.0
129.01930	8.1
129.10263	0.7
130.01468	1.4
131.04623	1.2
136.67123	0.6
141.01933	20.2
141.10374	1.2
143.01021	0.8
143.07124	1.1
159.02943	1.6
161.08199	1.4
173.09312	5.3
185.00835	1.0
185.09293	1.1
202.94281	0.8
203.01984	100.0
203.10475	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	203.0827
Annotation	Tryptophan
Peak:m/z	Relative Intensity
59.44886	0.7
68.75317	0.8
70.72217	0.8
72.00903	24.6
74.02468	35.0
74.62843	0.8
88.90949	0.7
116.05051	100.0
130.06580	1.8
142.06622	27.1
159.09251	20.4
186.05603	4.1
203.08270	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	203.0827
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
53.36084	0.8
53.62208	0.7
53.94865	0.7
59.61583	0.9
72.00904	23.5
74.02465	36.1
82.08202	0.7
116.05049	100.0
130.06627	2.1
135.12390	0.8
142.06606	31.2
159.09259	22.3
186.05623	5.6
203.08272	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	203.0927
Annotation	Diethyl (2S,3R)-2-methyl-3-hydroxysuccinate
Peak:m/z	Relative Intensity
59.01381	3.0
62.08946	0.5
67.16208	0.4
70.16906	0.5
71.42350	0.6
86.80476	0.6
97.02945	0.5
104.97731	0.5
113.09720	28.8
122.54073	0.5
141.09221	32.5
143.07137	100.0
159.10286	6.8
185.08197	7.2
193.72427	0.5
203.09273	58.4
203.13065	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	204.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
69.53783	0.8
71.04641	1.7
71.05015	38.3
72.04543	10.6
72.86533	0.9
74.06110	20.1
74.06488	1.6
99.04514	8.7
100.04052	1.3
102.05607	53.0
109.96148	0.7
126.09249	5.6
129.05585	3.9
130.05099	4.0
133.19563	0.9
156.10323	1.1
172.09596	1.1
183.82758	0.9
204.12419	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0353
Annotation	Homoisocitrate
Peak:m/z	Relative Intensity
53.03159	0.6
54.92560	0.7
56.97389	0.7
57.03449	1.5
58.28639	0.7
59.01367	2.0
61.55979	0.6
70.73332	0.7
71.01360	1.2
71.05020	5.5
72.99300	7.1
73.02940	2.9
80.75925	0.8
81.03455	1.9
85.02948	5.8
87.00861	10.1
99.00864	1.4
99.04514	37.8
99.08172	1.7
101.02436	42.7
111.00871	17.3
113.03545	1.1
115.04000	17.5
115.07631	11.9
125.02435	100.0
127.03987	1.9
129.01979	0.9
129.05577	8.5
131.04628	4.5
143.03491	18.3
143.07133	9.7
145.01419	55.4
145.05095	2.0
146.38373	1.0
154.99875	1.0
161.04683	1.6
187.02498	31.7
205.03560	45.8
205.07077	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	205.0353
Annotation	Homoisocitrate
Peak:m/z	Relative Intensity
52.11815	1.1
55.01864	1.9
55.26348	1.1
55.71480	1.0
56.08685	1.0
57.03456	12.5
59.01098	2.3
59.01381	41.8
60.99302	2.2
62.47673	1.2
67.01890	4.7
68.45623	1.1
68.99834	1.5
71.01376	23.8
71.05011	2.9
72.99300	32.2
73.02950	18.3
75.00869	18.6
80.75065	1.5
81.03485	1.5
83.01392	18.3
83.05052	2.4
85.02943	91.9
87.00861	41.0
89.02431	9.6
90.85363	1.3
93.03453	9.3
97.02961	1.4
99.00865	21.4
99.04526	16.2
100.98829	2.1
101.02441	23.4
109.02930	5.6
111.00871	100.0
111.04511	1.5
115.00366	19.2
115.03989	5.3
115.07635	3.4
117.01926	9.3
118.05061	1.5
125.02423	41.3
125.06046	1.8
127.04012	25.3
129.01923	18.6
129.05528	2.1
131.04620	8.9
133.01450	2.1
142.99863	7.1
143.03496	9.8
143.07172	19.2
145.01389	15.2
145.05074	29.8
148.04398	1.4
154.99835	8.2
157.01479	1.9
157.06200	5.9
173.00888	8.1
173.04527	6.9
187.02452	7.5
187.06111	9.0
205.03577	14.4
205.07237	20.1
205.09056	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	205.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85684	0.2
59.01374	1.0
60.64413	0.2
67.01883	0.3
72.52740	0.3
72.99304	2.1
77.03970	0.6
78.23569	0.2
79.01900	0.3
81.03445	0.6
81.07092	0.4
83.01382	1.3
84.18078	0.3
85.02940	10.2
86.20152	0.3
87.00876	1.1
93.03448	2.2
93.90871	0.3
99.08131	0.6
101.15316	0.3
109.02947	0.3
115.07632	9.0
119.05046	0.5
121.02940	0.6
125.02311	0.3
127.03989	3.5
129.05579	4.3
133.06566	0.5
135.04530	0.6
137.06108	0.4
143.07135	2.2
146.03746	0.6
161.02423	0.5
161.06081	2.5
162.89368	0.4
163.03954	2.5
173.04590	0.5
177.05598	0.4
178.62601	0.3
189.05528	0.4
190.02776	0.4
190.06317	0.4
205.05075	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43256	0.6
56.33560	0.6
59.01368	0.8
61.32093	0.5
72.99301	24.3
73.02925	1.0
75.00850	0.9
75.05155	0.6
81.07092	1.5
85.02995	0.6
85.06573	1.2
91.91638	0.6
99.08159	12.9
101.06036	0.7
113.06124	1.3
115.07635	100.0
120.96827	0.6
125.06050	1.1
129.05573	55.8
143.07129	40.1
159.06630	3.4
161.08159	2.4
205.07176	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91652	0.9
53.26663	0.8
54.64693	0.9
59.01380	8.3
64.33436	0.9
64.73674	0.9
67.01891	0.9
69.03452	1.6
71.01382	1.7
71.05009	4.4
72.99300	30.8
73.02943	1.7
75.00861	2.0
81.03453	1.3
81.07092	1.2
83.01369	0.9
83.05030	1.8
85.02940	40.3
87.00883	14.6
93.03451	6.0
97.06554	1.1
99.00902	1.1
99.04529	9.4
99.08149	13.1
101.02424	7.7
101.06154	1.1
102.01946	1.7
109.02982	1.2
111.00872	18.4
111.04514	1.5
113.02457	2.0
113.06075	3.9
115.04007	1.6
115.07635	100.0
117.01951	1.0
125.02431	24.4
125.06070	1.1
127.04002	9.0
129.05574	65.4
131.04625	7.5
143.03491	4.1
143.07135	44.7
143.08052	1.1
145.01392	5.6
145.04999	4.1
158.93903	1.5
159.06622	2.2
161.05858	1.0
162.89349	10.7
165.57611	1.0
173.04523	5.3
187.02489	5.6
205.03542	10.7
205.07166	52.7
217.03442	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18335	0.5
52.95503	0.5
54.78901	0.4
56.42288	0.5
57.03437	0.4
59.01375	2.9
61.37510	0.4
71.91615	0.5
72.99307	27.7
73.02939	0.7
75.00864	1.0
81.07095	2.8
85.02942	9.5
85.06620	0.9
87.00866	2.0
93.03461	0.9
99.08156	11.3
101.06059	1.2
113.06085	2.3
115.07639	100.0
125.06068	2.1
127.03994	2.9
129.05576	60.4
131.07195	0.6
143.07140	39.7
159.06628	3.4
161.08286	0.6
169.30255	0.5
173.04555	0.7
187.65187	0.6
205.07196	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	207.0159
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.3
65.99854	0.3
70.71680	0.1
71.01380	0.3
72.99300	0.2
73.02915	0.2
74.62970	0.1
78.95896	0.2
85.02939	0.3
101.02396	0.2
111.00884	0.2
120.02015	4.6
122.59712	0.2
163.02620	100.0
181.03825	0.2
192.04323	1.0
194.52948	0.2
206.95506	1.8
207.01605	7.1
207.04948	0.3
211.64682	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	207.016
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11873	0.1
59.01360	0.2
60.06326	0.1
65.99828	0.2
75.70991	0.2
86.09549	0.2
92.02496	0.2
93.20472	0.2
104.01131	0.1
113.02432	0.2
115.68982	0.2
120.02019	5.4
143.67899	0.2
152.02750	0.2
153.23422	0.2
163.02623	100.0
173.20842	0.2
181.03700	0.3
192.04375	0.2
207.01599	5.2
207.05263	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	207.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55216	0.2
59.01378	1.2
59.14579	0.2
60.80652	0.2
93.03452	0.6
105.03471	0.4
112.40310	0.3
133.02953	11.5
149.02437	0.6
162.00308	0.3
163.11313	1.3
164.04800	1.4
177.01953	9.6
192.04305	100.0
207.06642	16.2
207.10217	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0665
Annotation	Sinapoyl aldehyde
Peak:m/z	Relative Intensity
59.01384	65.9
63.53894	0.5
65.56354	0.6
66.67827	0.5
72.99290	6.5
79.95728	0.6
85.80490	0.6
91.87022	0.6
99.60509	0.6
103.05533	1.2
108.21526	0.6
119.05028	6.9
147.04520	100.0
165.05563	92.8
168.66794	0.6
176.93143	0.6
192.04300	2.8
207.01204	6.6
207.06673	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	207.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.0
59.01381	9.5
74.11401	0.7
79.05502	0.7
80.02659	0.8
81.03448	5.0
81.07092	0.8
92.22381	0.6
93.02862	1.6
93.03449	45.9
94.04279	0.8
95.05014	15.1
107.05014	12.2
108.02165	0.7
109.06575	0.8
120.05772	0.7
121.10117	0.7
133.06682	0.9
139.07442	0.7
145.10208	1.6
148.08949	1.1
161.09641	1.2
163.11287	100.0
177.01976	1.6
192.04297	5.0
207.10284	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	207.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.0
59.01381	9.5
74.11401	0.7
79.05502	0.7
80.02659	0.8
81.03448	5.0
81.07092	0.8
92.22381	0.6
93.02862	1.6
93.03449	45.9
94.04279	0.8
95.05014	15.1
107.05014	12.2
108.02165	0.7
109.06575	0.8
120.05772	0.7
121.10117	0.7
133.06682	0.9
139.07442	0.7
145.10208	1.6
148.08949	1.1
161.09641	1.2
163.11287	100.0
177.01976	1.6
192.04297	5.0
207.10284	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	209.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82294	0.2
57.03445	2.0
59.01381	2.7
71.01369	0.5
84.02155	0.5
85.02944	10.1
87.00880	1.7
89.02446	0.6
92.23117	0.3
99.00855	0.4
103.74019	0.2
120.02153	5.6
121.02949	100.0
129.01955	4.1
133.01382	0.5
135.04500	0.3
159.02992	1.0
165.01927	0.4
165.05598	0.4
191.02037	0.6
209.01175	0.5
209.03003	1.0
209.04599	10.0
209.06696	9.8
209.08563	0.6
209.11787	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.1
59.01377	1.2
63.79084	0.2
65.08464	0.2
71.01389	0.4
74.75508	0.2
78.21252	0.2
85.02945	7.4
87.00884	1.7
89.02441	0.5
95.01418	0.2
96.62853	0.2
96.95988	0.5
99.00824	0.3
109.06622	0.2
120.02155	5.1
121.02947	100.0
123.30429	0.2
129.01955	3.1
136.01680	0.8
154.40179	0.2
159.02968	1.0
165.09163	0.3
191.01939	0.3
194.02190	0.2
207.71123	0.2
209.04626	12.7
209.06699	5.8
209.08539	1.1
209.11717	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0667
Annotation	L-glycero-D-manno-Heptose
Peak:m/z	Relative Intensity
53.52742	0.8
55.01879	1.3
55.25999	0.7
57.03455	17.7
59.01383	14.7
71.01381	8.8
71.30782	0.7
72.99319	0.9
73.02934	3.7
75.00861	5.7
77.29345	0.7
83.01382	3.6
84.02168	2.2
85.02946	82.2
87.00869	22.0
89.02438	6.4
89.19704	0.9
97.02944	1.4
99.00870	3.6
99.04468	1.2
101.02420	4.9
111.00889	7.8
112.02045	0.9
116.63363	0.8
129.01942	42.7
141.01950	4.3
159.02980	11.9
163.02658	1.1
165.03102	1.6
176.91344	0.9
209.06680	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.0
55.69179	0.7
57.03451	17.3
59.01380	18.0
64.01980	1.0
69.78451	0.8
71.01369	7.9
71.01688	0.9
73.02936	1.5
75.55636	0.8
82.07545	0.9
83.01385	3.7
84.02152	4.0
85.02943	82.8
87.00868	18.1
87.04476	0.9
88.32738	0.8
89.02433	4.2
97.03001	1.3
99.00869	5.8
100.36124	1.1
101.02442	1.3
111.00890	9.8
115.04000	1.2
121.02936	3.8
123.08165	1.1
129.00969	1.6
129.01932	40.9
135.08170	8.1
137.09723	6.1
141.01933	2.0
159.03003	10.6
165.09189	4.4
209.06660	100.0
209.08224	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	209.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59925	0.8
55.01860	0.9
56.84361	0.8
57.03450	14.4
59.01145	1.1
59.01384	16.6
61.52356	0.7
63.90566	0.8
68.14459	0.9
68.99818	0.9
71.01379	5.8
73.02928	1.6
78.43145	0.9
83.01393	2.1
84.02171	2.0
84.84740	0.9
85.02942	72.2
85.93125	1.0
87.00864	22.6
89.02411	4.5
97.02962	1.2
99.00867	5.6
101.02409	4.0
111.00841	7.6
115.04056	1.1
121.02940	42.9
129.01932	47.4
129.19412	1.0
141.01953	1.8
159.02965	9.6
161.02411	5.1
176.04810	3.8
179.03503	9.4
194.05818	8.1
209.04611	7.0
209.06647	100.0
209.11917	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	209.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
57.03453	17.6
59.01385	15.3
63.11456	0.5
69.03448	0.7
69.66518	0.6
71.01379	7.6
73.02943	3.7
83.01384	3.5
84.02158	3.1
85.02947	78.2
85.27049	0.5
87.00871	25.6
87.04525	1.0
89.02457	4.7
97.02935	2.4
99.00880	5.1
101.02441	2.3
106.04238	2.2
111.00881	8.1
115.04028	1.0
120.02177	1.0
121.02959	9.8
121.06551	3.1
124.39821	0.7
129.01938	43.0
141.01947	4.9
148.28836	0.6
156.48291	0.6
159.03003	11.1
194.02379	0.6
209.06682	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	209.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.7
57.03455	18.2
59.01380	14.9
71.01372	5.6
73.02938	3.3
83.01376	4.4
84.02139	1.1
85.02946	81.4
87.00877	19.6
87.04510	1.1
89.02459	3.7
92.22713	1.6
97.02959	1.5
99.00869	5.0
101.02453	1.7
111.00866	7.6
115.03987	1.2
120.02164	0.8
121.02947	29.4
129.01933	39.9
141.01921	4.9
159.03055	8.7
208.97716	0.8
209.06674	100.0
217.63348	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.6
57.03448	14.5
59.01143	0.7
59.01385	11.8
69.60298	0.6
71.01363	4.6
73.02932	1.2
77.22392	0.6
83.01366	3.3
84.02155	1.6
85.02944	58.4
87.00864	18.9
89.02415	3.8
91.05527	2.6
97.02929	1.0
99.00912	5.0
101.02386	1.4
102.02248	0.6
109.31338	0.6
111.00845	4.5
120.02129	3.5
121.02947	100.0
125.02399	0.9
125.65820	0.7
129.01936	31.7
135.69543	0.8
141.01917	1.6
159.03009	8.4
165.05719	1.7
209.04546	9.8
209.06633	73.2
212.46725	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.082
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50846	0.5
57.03439	2.0
59.01382	1.1
71.01372	0.7
79.95715	0.5
83.01373	0.8
85.02938	11.3
87.00866	3.5
105.03448	1.2
120.02149	0.8
121.02946	24.1
129.01950	6.0
133.02913	0.9
146.03708	0.5
151.04016	7.1
159.02977	0.8
161.02437	54.9
161.51511	0.6
176.03207	0.6
176.04784	36.1
179.03503	85.9
191.07140	13.4
194.05849	100.0
208.60320	0.6
209.04471	2.9
209.06602	10.2
209.08241	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	209.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10262	0.4
61.67263	0.4
61.96576	0.4
70.13036	0.4
70.74387	0.4
72.24118	0.4
74.87817	0.4
76.04391	0.4
80.02689	2.0
81.03439	0.9
83.05026	7.0
90.48763	0.5
92.23083	0.9
92.50156	0.4
95.58735	0.5
121.02971	0.6
135.08138	1.2
140.91698	0.5
163.11279	8.0
165.12822	5.2
173.79514	0.5
181.12381	0.9
191.10820	1.9
209.11850	100.0
229.98289	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73847	0.5
56.00763	0.4
57.44653	0.5
59.01403	0.5
67.95260	0.5
70.06284	0.5
80.02670	2.2
80.21062	0.5
81.03453	1.0
83.05023	6.5
95.05045	0.7
121.02949	2.4
122.66674	0.5
125.06017	0.7
135.08159	0.8
163.11287	6.8
165.12830	4.2
191.10823	0.9
197.68631	0.6
203.85606	0.6
209.11847	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1184
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
65.26323	0.3
80.02661	0.9
81.03452	1.6
83.05021	6.2
83.50785	0.4
95.05006	1.8
119.04776	0.4
121.02943	2.1
123.22029	0.4
125.06068	0.6
135.08090	0.4
158.22086	0.5
163.11267	6.1
163.79059	0.4
165.12848	4.9
168.61710	0.4
177.94838	0.5
181.12334	0.7
191.10783	1.0
191.74699	0.4
209.11845	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	209.1184
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
66.72804	0.4
73.20983	0.5
80.02692	2.2
80.53651	0.4
81.03449	1.0
83.05022	7.7
85.20493	0.4
95.05004	0.7
106.40263	0.5
121.02931	2.5
125.06088	0.6
145.95357	0.4
163.11279	5.8
165.12820	5.3
181.12352	1.0
191.10802	0.6
194.16096	0.6
209.11847	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1185
Annotation	(plusmn)7-epi Jasmonic Acid
Peak:m/z	Relative Intensity
50.50960	0.4
57.03438	1.5
59.01384	100.0
64.46626	0.3
81.03452	0.8
87.59875	0.4
96.96008	4.6
97.06586	2.7
109.06602	2.8
109.92081	0.5
115.23450	0.4
121.02931	2.4
132.08092	0.4
135.83504	0.4
135.92003	0.5
165.12842	4.3
209.04587	0.4
209.08719	4.7
209.11850	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	209.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	4.3
61.22984	0.6
61.24899	0.6
65.92178	0.6
121.02953	28.9
163.11359	0.8
165.12810	3.0
191.14354	1.1
209.04611	2.5
209.11902	42.3
209.15477	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	211.025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	14.8
63.57971	0.2
64.82349	0.2
65.00338	0.6
97.02956	1.2
108.02155	0.3
121.02962	0.3
123.04510	12.0
124.01654	36.6
139.04016	33.2
139.05144	0.6
139.05609	0.4
152.01154	38.7
165.01932	14.4
165.03343	0.5
167.03499	100.0
167.14494	0.4
181.01360	0.5
196.03847	1.2
211.02516	3.9
211.05949	2.7
211.09749	0.3
211.13390	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	211.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	22.0
59.01687	0.8
72.99281	0.3
78.04374	0.3
82.72021	0.3
84.04564	0.4
88.44706	0.3
95.05024	0.4
96.96034	0.7
97.02930	0.7
103.08920	0.3
111.08167	0.4
121.02968	0.6
123.04514	15.5
124.01699	0.5
149.06036	0.5
151.03979	2.7
153.05582	4.0
166.88506	0.3
167.03505	1.5
167.14397	0.7
177.15625	0.4
181.01553	1.9
181.05081	100.0
184.83238	0.3
196.03793	3.4
196.07430	87.7
211.06454	3.2
211.09779	21.3
211.13335	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	211.134
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
51.53789	0.5
55.48355	0.5
59.01380	4.9
61.45818	0.5
65.23843	0.4
66.07979	0.5
69.04911	0.5
79.72638	0.5
81.03480	0.5
95.77142	0.5
98.50786	0.6
108.56094	0.5
123.04511	1.1
147.00838	0.6
161.98947	0.6
167.10860	0.8
167.14442	3.4
175.77011	0.6
183.13910	10.9
193.12405	3.8
211.13445	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81273	0.5
59.01385	2.8
67.01882	0.9
68.99812	3.5
73.02951	2.8
75.00874	1.2
80.05065	1.1
83.01390	1.1
93.03438	2.0
94.02969	4.6
95.01379	16.2
96.00931	1.9
108.04558	6.7
109.02969	3.8
112.04049	1.0
124.04034	2.1
126.03143	0.8
136.04039	31.0
137.02443	100.0
138.01984	4.2
139.04019	3.8
151.54315	0.5
152.03517	3.2
154.09807	0.6
168.02892	0.6
168.06673	4.0
168.10257	1.0
169.05066	71.1
180.03065	0.9
184.61130	0.5
194.04587	3.1
201.70667	0.5
212.03674	1.0
212.05661	21.9
212.09268	0.9
212.13933	1.1
226.62270	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82042	0.2
57.03452	1.7
57.58693	0.2
58.95820	0.2
59.01370	0.3
63.60195	0.2
65.72614	0.2
69.03439	0.3
83.05029	0.9
85.06571	1.7
111.08142	1.1
123.07256	0.5
123.08158	17.3
125.09722	4.1
137.09715	3.4
139.11287	66.0
151.11276	8.5
153.09145	0.4
167.09569	0.2
167.10725	1.8
169.12326	6.1
213.11336	100.0
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	2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid
Peak:m/z	Relative Intensity
68.56210	0.3
71.20250	0.3
91.25979	0.3
94.79665	0.3
151.08101	0.3
151.10066	0.5
151.11279	12.1
169.12337	100.0
169.36128	0.4
189.60799	0.3
195.10284	0.8
201.37709	0.3
213.11339	14.8
213.14868	1.8
213.18449	0.4
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	2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid
Peak:m/z	Relative Intensity
55.39539	0.2
57.03463	0.2
59.01368	0.2
81.95184	0.2
83.04999	0.2
86.14045	0.2
89.50166	0.2
97.06579	0.8
116.45250	0.2
125.09721	0.8
136.56212	0.2
151.11275	11.2
169.12344	100.0
185.11780	0.4
195.10358	1.7
197.99132	0.4
213.01498	0.3
213.11340	19.3
213.14671	2.3
213.18639	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53776	0.9
53.96806	0.9
58.02979	100.0
70.47521	1.0
71.31226	0.9
80.16555	1.1
92.22527	1.3
96.00921	5.1
125.09698	1.4
126.12890	20.2
150.03621	1.1
152.10808	12.8
153.06694	1.3
153.10275	1.6
160.56120	1.1
168.05244	1.0
169.08801	1.3
169.12262	5.6
169.13486	12.9
170.11832	11.9
194.83888	1.0
195.81477	1.0
196.09805	7.3
196.48494	1.2
213.07805	1.7
213.12434	10.7
213.14575	1.7
213.18625	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	213.1495
Annotation	3-Oxododecanoic acid
Peak:m/z	Relative Intensity
59.01377	0.5
65.49626	0.3
68.81660	0.4
92.22459	0.4
130.43848	0.3
137.15425	0.3
150.60417	0.4
151.11201	0.5
161.17587	0.4
169.12315	0.7
183.13892	19.6
185.11819	2.9
194.69878	0.4
195.10321	0.5
195.13902	21.5
197.99187	0.5
213.01407	0.7
213.11386	6.0
213.14978	100.0
223.73065	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1498
Annotation	3-Oxododecanoic acid
Peak:m/z	Relative Intensity
53.01358	0.2
58.40359	0.2
59.01391	0.3
82.53309	0.3
123.49695	0.3
137.09703	0.5
151.11261	0.3
167.14336	1.4
169.12328	0.6
183.13901	8.3
195.13910	18.1
197.99257	0.3
201.20303	0.4
211.13492	1.7
213.01385	1.3
213.14970	100.0
213.18465	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	214.1086
Annotation	2-Amino-9,10-epoxy-8-oxodecanoic acid
Peak:m/z	Relative Intensity
57.03453	38.1
58.02984	22.9
71.05036	3.2
83.02484	2.7
97.07299	1.9
111.08153	30.1
111.09346	2.3
117.98079	1.9
142.12381	2.6
152.10829	26.9
153.09219	2.7
170.11868	72.8
214.10857	100.0
214.14229	2.8
233.84195	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	214.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
83.30829	0.5
89.60420	0.4
92.22485	0.4
96.50921	0.4
153.12848	33.9
170.15500	3.5
172.55980	0.4
196.13441	5.2
197.09996	1.0
197.11847	45.9
214.14502	100.0
215.12880	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	214.145
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51327	0.6
58.13786	0.6
70.02953	0.8
72.04532	1.3
72.42427	0.6
84.04545	10.6
85.02941	0.8
96.04547	11.4
97.06591	4.4
98.06088	4.4
99.08147	6.4
111.08147	4.0
113.09689	1.2
114.05600	0.9
115.07672	1.2
126.05619	1.1
128.10843	5.1
132.69597	0.7
139.25127	0.9
152.14421	1.4
153.12758	0.9
168.10291	0.9
176.14412	0.7
184.13322	0.7
196.10744	1.1
196.13434	79.3
214.14499	100.0
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
51.47646	0.8
52.50264	0.8
56.64539	0.8
59.01360	1.3
66.88139	1.0
77.70948	1.0
80.06868	0.9
87.04420	0.9
92.23062	1.3
100.53529	1.0
136.64218	1.0
153.12848	48.7
171.13943	1.0
197.11856	68.7
200.20845	0.9
215.01021	10.3
215.12871	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09126	0.1
57.03471	0.2
59.01384	0.7
65.94209	0.1
71.01368	0.9
71.05014	0.2
72.02181	0.6
73.02949	0.3
75.43163	0.2
76.17624	0.2
112.99686	0.2
125.09727	1.5
127.11295	2.3
141.09207	0.2
141.12869	0.8
143.10738	0.4
148.79988	0.2
149.09654	0.2
151.11310	0.3
153.09242	0.2
153.12878	0.4
155.07098	0.2
155.10742	1.4
161.09781	0.2
169.12357	1.1
171.10266	12.4
179.10786	1.6
185.11806	1.6
197.11841	6.6
213.11354	4.7
215.01028	3.3
215.12897	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.14
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.0
82.38686	0.6
97.06598	1.0
99.15768	0.6
100.04047	1.0
100.07687	1.1
109.06598	0.7
115.08758	1.6
116.07169	25.6
129.79570	0.7
171.13542	1.3
171.15034	45.3
215.01024	17.6
215.14026	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98492	0.7
64.98013	0.7
71.19425	0.6
72.04522	0.9
83.84385	0.6
98.02473	5.3
99.00874	5.1
100.04057	3.1
114.09232	100.0
118.05087	4.6
159.38124	0.8
169.24474	0.8
171.10295	2.7
194.07190	0.7
197.11829	3.1
215.00949	8.4
215.12854	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	216.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94266	0.9
59.10833	1.0
67.87982	0.9
70.02982	1.1
71.01376	10.5
80.47836	0.9
88.04035	100.0
91.50892	0.9
93.00642	1.1
96.99296	6.7
100.07679	95.6
101.06077	30.5
114.01951	8.2
115.00359	32.6
132.03000	4.4
143.66660	1.0
154.08723	5.9
172.09793	47.5
198.07738	11.4
216.08778	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	216.1241
Annotation	O-Propanoylcarnitine
Peak:m/z	Relative Intensity
58.02981	0.4
60.16100	0.3
61.01723	0.3
85.26466	0.3
98.39422	0.3
128.10788	0.7
130.08733	36.2
142.12386	7.4
152.10796	2.6
153.09192	3.4
155.10791	5.3
164.99748	0.3
170.11874	50.6
172.09782	14.1
198.11423	0.5
214.10936	0.6
216.12411	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
65.44267	0.4
72.99300	0.6
84.67332	0.4
90.97122	0.6
105.04783	0.5
125.83039	0.4
132.13721	0.4
132.98198	2.5
156.99881	2.2
174.99234	46.3
180.25421	0.5
208.22313	0.5
213.28743	0.5
217.00313	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	217.1082
Annotation	3-Hydroxysebacic acid
Peak:m/z	Relative Intensity
54.58343	0.3
55.66192	0.3
56.96860	0.3
59.01394	0.6
59.31802	0.3
65.53975	0.3
67.55737	0.3
71.66592	0.4
73.23880	0.4
81.40979	0.3
94.96901	0.4
123.89905	0.4
127.11311	0.7
137.09714	2.2
152.15923	0.4
153.09174	0.5
155.10782	34.2
171.10268	45.9
194.90813	0.4
199.09778	5.8
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	217.1193
Annotation	D-Lysopine
Peak:m/z	Relative Intensity
50.07944	0.8
53.76109	0.9
58.02970	2.4
59.01385	1.5
70.00455	0.9
73.04087	1.1
73.53571	1.0
74.02467	21.3
93.76240	1.2
98.28159	1.0
104.03507	1.9
113.33496	1.0
116.07160	6.2
118.05069	2.2
126.09229	2.4
129.10312	2.1
130.08736	13.3
139.08742	1.3
141.10368	6.1
142.05087	1.2
143.11891	35.4
144.38283	1.2
155.11908	33.5
160.06136	12.1
169.09792	11.8
173.09351	7.9
187.10884	100.0
215.30815	1.1
217.11960	49.0
234.53952	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1193
Annotation	D-Lysopine
Peak:m/z	Relative Intensity
59.01398	1.2
73.04060	7.5
93.57619	0.6
118.59798	0.5
124.97393	0.7
130.08733	66.3
131.51709	0.6
143.11902	22.7
173.09454	0.7
187.10889	100.0
199.10880	3.3
217.07280	1.3
217.11977	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	218.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	2.1
70.53648	0.6
71.01379	9.5
71.05023	9.5
71.51244	0.5
75.80932	0.7
86.71326	0.5
88.04035	100.0
93.07551	0.7
99.04504	4.0
102.83076	0.6
116.07191	1.3
129.05551	1.0
146.08234	61.6
218.10329	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	218.1034
Annotation	D-Pantothenic acid
Peak:m/z	Relative Intensity
59.01394	0.6
65.39860	0.6
70.56553	0.6
71.01377	10.2
71.05013	9.1
75.00852	1.6
88.04034	100.0
96.00890	1.2
99.04507	1.6
116.07173	1.2
128.07187	3.4
129.05566	1.5
146.08229	64.6
156.12283	0.8
174.07733	6.4
187.10791	0.9
188.11247	3.8
218.10350	46.6
218.12227	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	218.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33080	0.4
52.04942	0.5
59.01375	2.0
69.98348	0.5
71.01373	10.6
71.05013	10.9
88.04034	100.0
91.71876	0.5
99.04520	3.0
116.03535	0.6
116.07165	2.2
119.19383	0.6
129.05600	0.6
146.08228	63.5
158.06166	0.5
218.10338	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	219.0523
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69534	0.3
57.00858	0.3
59.01365	2.3
59.23163	0.3
61.69869	0.3
63.03438	0.3
64.01910	0.3
65.01430	0.5
65.99837	1.8
73.02923	0.4
74.02459	0.4
79.63187	0.4
79.95712	0.4
81.03449	2.7
82.02966	0.6
83.01406	0.4
83.05021	24.6
85.98878	0.3
88.04030	0.6
89.04390	0.3
93.03448	0.6
97.02927	0.7
99.04510	1.7
101.06078	5.4
106.02985	4.3
111.00880	6.3
115.03989	0.5
125.02407	2.8
127.03997	3.5
133.04016	0.5
135.01993	3.0
143.03497	3.2
145.05061	18.6
150.01964	22.2
157.07698	2.6
157.08827	0.4
158.03464	0.8
159.03047	1.4
176.04701	1.5
177.03056	100.0
179.00227	0.4
182.75327	0.3
187.02528	2.0
187.53738	0.3
201.11272	0.5
202.02602	12.5
204.04257	0.4
219.05251	39.6
219.08524	3.3
219.12390	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	219.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67644	0.7
60.66600	1.0
71.04365	0.8
72.00893	5.1
72.99252	1.0
74.02472	17.5
81.03441	4.2
83.01394	6.8
85.02959	0.9
86.02471	31.5
86.89327	0.9
87.04518	1.4
88.04044	1.4
90.78759	1.0
92.05050	7.2
97.02935	7.6
98.02473	1.4
99.00868	0.9
99.04517	7.7
115.03993	1.9
118.05098	6.0
125.02444	18.0
125.08096	0.9
127.00346	4.0
130.06595	2.1
131.03746	11.4
132.04550	45.6
143.03476	4.6
144.04543	38.7
146.04802	3.7
146.05997	1.6
157.07709	100.0
158.06097	13.5
159.02997	12.5
161.04556	3.6
173.07178	2.1
175.08763	1.8
184.04016	1.1
187.02533	11.2
201.06731	5.9
202.05107	1.6
219.05336	2.9
219.07753	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	219.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.7
69.03505	0.3
71.32309	0.3
74.02465	0.5
75.00878	0.5
86.02474	0.5
92.05048	0.6
98.02486	0.5
118.01426	0.6
118.05111	2.9
119.06089	0.4
130.06664	0.8
131.03735	1.5
132.04521	0.9
134.06155	0.7
137.53304	0.4
144.04562	1.4
146.04900	3.5
157.07713	100.0
158.06183	0.4
175.08774	3.4
180.50281	0.4
201.06686	3.8
219.01044	0.5
219.07773	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	219.0874
Annotation	CHEBI:78829
Peak:m/z	Relative Intensity
51.33144	0.6
54.57117	0.5
54.83828	0.5
59.01383	0.6
63.42120	0.5
70.46617	0.5
72.99305	21.5
75.00902	0.6
93.35688	0.5
95.08669	1.2
99.08156	1.1
113.09711	12.6
127.07633	4.5
129.09212	100.0
139.07622	2.6
143.07140	51.0
146.98270	0.8
157.08694	35.3
173.08191	2.6
185.99216	0.7
219.08745	59.6
234.41986	0.7
239.12563	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.8
57.94873	0.4
59.01381	7.2
60.78844	0.4
60.86143	0.4
62.06145	0.4
66.81322	0.4
69.72275	0.4
70.36598	0.4
71.01376	0.8
72.02156	5.0
73.02936	0.9
73.36093	0.4
74.02477	2.0
75.59384	0.4
81.03461	8.6
83.05023	100.0
85.02951	0.5
86.02464	2.1
87.04508	16.0
89.02444	0.6
91.04004	3.0
93.03446	0.7
99.04549	0.6
99.97065	0.4
101.06078	29.1
104.77370	0.5
113.06075	0.5
116.01144	2.1
120.04586	0.6
125.02447	1.0
127.04005	12.9
129.05560	0.6
131.03548	3.6
132.04538	2.7
134.06131	0.6
144.04533	4.2
145.05069	81.8
146.04851	0.9
157.07710	50.0
158.06186	1.1
159.03038	0.7
160.05269	0.5
175.08809	1.0
201.06714	1.9
201.11340	0.9
219.08636	10.3
219.12321	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	221.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73576	0.5
57.03446	0.6
59.01384	100.0
60.44891	0.6
61.90364	0.6
69.03461	1.0
71.01380	40.3
73.02943	79.2
83.01382	11.8
85.02948	6.0
85.58504	0.7
87.00870	0.6
89.02454	7.7
95.01371	1.1
97.02985	1.0
98.39655	0.8
101.02444	33.8
113.02444	17.4
124.04057	1.1
124.72830	0.7
125.02425	0.9
131.03505	3.1
161.04549	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0819
Annotation	Dillapiole
Peak:m/z	Relative Intensity
50.63427	1.2
56.21416	1.2
59.01371	8.9
71.05017	80.3
73.02982	2.0
81.33804	1.4
86.38764	1.6
89.84228	1.5
93.03461	1.5
96.00127	1.5
107.05004	8.5
121.02946	52.7
124.04079	2.7
134.02715	3.4
134.03740	100.0
135.04517	2.6
147.00873	18.5
149.09731	11.8
165.01955	2.2
177.09206	17.0
207.84253	1.5
221.08202	42.9
221.11656	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	221.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07794	0.5
55.65012	0.5
55.79062	0.5
56.71341	0.5
56.88980	0.5
59.01376	14.7
71.01360	0.7
71.23225	0.5
72.00885	0.5
72.99297	1.5
73.02934	2.4
73.04063	100.0
81.03364	0.6
85.02964	0.8
87.00868	1.1
87.52905	0.7
89.52089	0.7
91.05522	7.2
94.02984	1.0
101.02425	2.8
105.05948	0.6
116.05074	1.1
117.72860	0.7
124.04019	4.8
129.01949	1.0
131.07112	2.3
132.07956	0.6
145.05067	1.2
147.04506	22.8
161.04564	1.4
164.07178	26.1
177.10329	4.2
203.08304	1.1
206.02142	1.2
221.04803	1.4
221.06734	3.0
221.09317	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	221.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59055	1.5
51.93447	1.4
55.89647	1.6
59.01381	57.3
59.13884	1.4
71.01364	4.1
71.02975	1.4
73.02940	1.6
74.02462	49.7
75.00812	1.4
83.02493	2.5
84.32053	1.6
85.02953	4.2
85.04063	66.7
91.05522	20.0
94.02950	1.8
101.02425	11.5
113.02420	1.9
118.05164	1.6
124.04021	9.3
129.17616	1.6
135.04527	2.3
147.04440	1.7
160.07684	8.8
161.00415	7.2
178.05069	1.8
183.57057	2.3
190.99908	2.4
221.02527	1.9
221.06085	2.8
221.09337	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	9.1
57.03454	10.2
59.01382	100.0
64.82667	0.8
71.01378	56.4
72.99306	3.5
73.02943	36.9
75.00840	1.1
76.31434	0.7
76.39999	0.9
76.46428	0.8
78.79762	0.7
79.95731	1.4
81.03499	0.9
82.04088	1.3
83.00254	0.8
83.00836	1.1
83.01386	19.7
85.02946	42.5
86.00083	1.6
87.00870	5.4
89.02451	7.8
94.02984	1.2
95.01382	4.6
97.02927	1.9
99.00877	12.8
101.02439	93.0
111.00922	1.0
113.02435	29.9
121.02802	0.7
124.04029	10.3
125.02483	2.0
127.32098	0.9
129.01917	1.7
129.05539	1.1
143.03461	1.9
159.02948	5.4
161.04578	15.5
197.59258	0.9
206.02148	1.1
211.61653	1.0
220.92258	0.8
221.02571	1.3
221.04660	1.7
221.10283	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	221.103
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28992	1.4
53.56619	1.2
55.01876	3.5
57.03446	6.5
59.01379	100.0
71.01373	52.9
72.99290	10.5
73.02940	35.9
75.00854	1.8
83.01373	18.4
85.02473	2.6
85.02946	41.6
87.00870	2.7
87.04486	2.1
87.08141	1.4
89.02435	29.3
91.42383	1.4
95.01374	7.3
97.02925	2.3
99.00838	12.3
101.01764	3.3
101.02436	82.5
113.02435	27.9
121.82061	1.6
124.04015	12.7
127.02876	1.8
129.01903	1.7
131.58134	1.5
143.03410	2.0
159.02956	2.9
161.04529	13.9
221.02596	2.2
221.04567	2.8
221.10344	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	221.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	6.9
55.44903	0.7
57.03456	6.9
59.01382	100.0
64.73312	0.8
67.39632	0.9
71.01379	49.8
72.99287	3.4
73.02940	33.7
73.04061	5.9
74.85373	0.7
75.00867	2.0
79.23797	0.8
79.95739	1.0
83.01376	20.2
83.12593	0.9
85.02943	35.1
86.00108	0.8
87.00866	2.0
89.02428	6.3
94.02933	1.8
95.01376	3.9
97.02914	1.2
99.00858	11.3
101.02438	75.8
111.00886	1.1
113.02438	26.3
113.96763	0.9
124.04025	15.3
125.02471	1.3
129.01942	3.4
129.05544	0.9
133.06744	1.0
147.04602	1.1
159.03001	4.9
159.04514	3.4
161.00380	1.7
161.04552	12.8
164.07185	1.1
177.05743	5.5
205.05763	0.9
221.02693	1.7
221.04890	3.9
221.08429	1.3
221.10341	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	221.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63255	2.4
59.01384	53.5
69.03446	12.4
71.05024	24.5
72.41151	2.3
79.05547	21.2
85.02948	3.7
88.17226	2.5
94.02968	3.8
96.62383	2.5
121.02934	12.9
121.10230	4.1
124.04019	14.5
131.08719	4.4
133.10239	44.0
134.03716	9.9
145.53000	2.8
159.11771	2.8
165.09229	100.0
177.09219	70.6
177.12833	14.0
193.12354	10.5
203.10802	14.5
209.39481	3.1
221.02429	2.7
221.08263	9.7
221.11852	78.9
221.15176	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	221.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30132	0.9
59.01381	22.9
59.24050	1.2
73.61399	1.1
78.67298	0.9
79.95712	1.8
91.80865	1.0
94.03008	1.7
94.41986	1.1
118.13037	1.2
124.04014	8.4
151.76825	1.2
178.98541	1.6
221.08464	2.3
221.12065	2.6
221.15486	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.26108	0.5
74.99070	4.3
93.00115	0.9
101.44675	0.7
126.13612	0.6
132.18047	0.7
134.95161	0.6
143.27388	0.6
149.00906	3.5
156.81779	0.6
172.83922	0.7
195.14113	0.7
206.99760	1.3
217.74722	0.6
223.02841	100.0
241.03841	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0612
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
56.67850	0.8
59.01379	1.3
66.33691	0.8
66.86392	0.9
87.00878	13.4
91.05525	100.0
93.17112	1.2
110.24296	0.9
110.68992	1.0
113.41035	1.0
117.07101	19.1
121.58411	1.0
133.06593	34.2
135.04543	1.6
140.65508	1.1
152.36378	1.1
161.04715	1.5
161.06075	58.0
163.04012	99.0
179.07123	7.5
183.33992	1.0
205.05048	1.8
223.06131	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	223.0613
Annotation	Sinapic acid
Peak:m/z	Relative Intensity
59.01386	1.4
91.05531	4.3
92.05042	0.8
93.03451	4.2
93.05383	1.1
99.67438	0.7
121.02930	5.2
121.99827	0.8
135.04510	9.1
136.04018	4.2
137.02429	1.1
137.04390	9.2
141.78308	0.9
149.02438	48.3
151.03967	1.8
152.01146	15.2
161.06055	2.0
163.04015	19.3
164.04788	50.9
165.01924	3.9
167.03415	1.3
169.05072	5.1
179.07167	10.5
193.01433	52.3
208.03777	100.0
223.06131	61.0
223.13356	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0648
Annotation	Trinexapac
Peak:m/z	Relative Intensity
57.03466	0.2
59.01379	1.2
68.78659	0.2
71.01384	0.3
79.95753	0.9
80.56249	0.2
85.02942	1.2
90.63069	0.2
91.05535	1.7
96.96001	38.5
101.02450	0.4
102.69086	0.2
111.00855	0.5
119.05032	2.5
129.01891	0.2
135.04518	0.5
135.08089	0.3
149.02432	0.5
161.06030	0.3
163.04042	2.0
164.04787	0.3
179.07097	0.4
181.05106	1.0
193.01424	1.2
205.03610	0.3
208.03812	1.1
223.06458	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.134
Annotation	(+/-)-6-Hydroxy-3-oxo-alpha-ionol
Peak:m/z	Relative Intensity
57.03454	0.9
59.01374	6.3
61.73740	0.6
69.03453	4.8
71.05009	0.8
79.35786	0.6
86.14253	0.7
92.17181	0.7
97.06606	0.9
149.09721	1.3
167.10774	12.5
177.12746	1.0
179.10750	3.2
179.14436	10.7
193.01381	0.9
195.12128	1.1
195.13904	27.3
205.12343	20.7
208.03746	1.4
223.02881	8.6
223.13396	100.0
225.53017	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96605	0.5
52.31528	0.5
52.94963	0.6
53.07976	0.6
54.39041	0.6
56.54380	0.6
58.08914	0.6
59.01385	0.8
62.68931	0.5
77.32879	0.6
80.80305	0.6
92.22572	0.8
92.41389	0.6
96.95967	0.8
108.75678	0.7
149.02394	0.8
163.04019	1.5
175.36563	0.7
193.01434	0.8
208.03801	3.0
223.02881	4.5
223.06061	2.7
223.17044	100.0
234.23022	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94825	0.3
63.17603	0.3
72.59063	0.3
74.99061	3.2
76.96988	0.4
78.33857	0.3
83.36899	0.3
93.00129	0.8
96.95964	0.5
97.20678	0.3
108.41315	0.4
110.44646	0.4
150.98882	2.0
152.96774	0.5
208.97635	69.2
225.00769	100.0
226.98740	0.6
238.58432	0.4
240.56377	0.3
243.01805	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	225.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28928	2.7
59.01383	100.0
61.73408	2.4
63.53656	2.6
65.13747	2.6
92.58431	2.3
96.00928	2.7
149.00955	6.7
165.04094	17.5
181.12300	3.6
208.97620	4.2
225.00677	6.6
225.11360	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	225.063
Annotation	1,3,7-Trimethyl-5-hydroxyisourate
Peak:m/z	Relative Intensity
60.93845	0.5
67.03013	100.0
67.75616	0.7
70.89162	0.5
71.01392	1.5
74.02467	1.6
82.04105	22.9
83.04436	1.5
83.81839	0.6
99.00880	3.3
100.01229	1.4
110.03592	2.5
110.07241	5.1
114.05586	1.5
117.03069	1.4
146.04587	5.4
149.04723	2.9
151.06250	98.5
152.83142	0.8
153.26700	0.7
163.06250	0.9
164.07030	3.4
189.05180	3.9
225.04152	1.3
225.06296	18.9
225.08316	1.1
225.10190	1.0
225.12497	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	225.077
Annotation	Genipin
Peak:m/z	Relative Intensity
61.08779	0.7
66.03490	1.3
71.52466	0.5
74.02472	4.2
76.31864	0.6
137.02455	2.4
138.03192	0.8
150.05632	0.8
159.64845	0.7
164.04163	0.6
165.01924	29.0
168.06693	0.8
180.04292	100.0
195.03011	25.4
195.06644	81.3
210.05353	53.2
225.07701	39.2
225.09929	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23947	0.7
57.26277	0.8
57.99342	6.6
58.00589	0.9
58.02976	3.6
59.01369	1.2
59.98541	6.6
63.72615	0.7
65.31641	0.7
66.03485	45.7
72.59593	0.7
74.02470	100.0
78.87180	0.8
93.03448	4.4
95.88276	0.8
96.96011	1.8
99.00909	1.0
99.13979	0.9
120.06556	0.8
120.43048	0.8
123.05655	1.4
124.07674	9.2
125.09692	1.9
137.02481	1.9
137.06046	2.0
137.09666	1.7
150.05614	34.4
168.06664	51.3
170.10385	1.0
178.73289	0.9
181.08688	1.7
181.12448	1.3
190.73798	1.1
207.10269	1.0
210.05392	1.0
225.04112	1.3
225.07516	1.0
225.09073	3.3
225.11380	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	225.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63250	0.6
59.01375	4.2
63.39992	0.6
73.02935	1.5
80.02715	0.7
81.03436	0.7
83.01357	0.6
83.05048	1.0
84.02143	0.8
88.78233	0.6
97.02954	7.3
99.00874	0.9
99.17749	0.7
109.06592	19.1
110.03730	1.6
121.06617	1.3
127.85735	0.7
135.08150	2.8
137.09734	2.9
138.61110	0.6
142.02733	1.0
163.11275	18.9
181.12352	20.0
197.11914	3.3
207.10284	72.6
225.11345	100.0
225.14609	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	225.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91634	0.5
59.01378	0.6
83.05018	0.5
97.02947	5.6
99.00852	2.4
109.06596	2.8
110.03706	2.8
110.17160	0.5
121.20402	0.5
125.09723	1.8
135.08171	0.9
142.02725	0.9
159.60858	0.5
163.11273	11.6
181.12349	35.2
197.11850	3.2
207.10272	82.1
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	225.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40873	0.6
67.55283	0.6
71.18169	0.5
87.27511	0.7
92.22594	1.2
97.02943	5.6
99.00874	1.5
110.03734	1.6
119.03670	0.7
125.09734	1.1
137.34322	0.6
139.28543	0.6
142.02718	0.9
163.11307	9.1
181.12344	23.1
207.10277	64.5
208.97527	0.8
225.00728	1.1
225.11334	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79610	0.3
59.01377	2.5
62.04389	0.3
67.59900	0.3
83.05038	0.6
163.14920	0.7
166.67372	0.4
169.12267	0.8
175.84563	0.4
181.12328	0.8
181.16013	0.7
189.12869	0.8
195.13927	11.0
197.15480	4.6
207.13925	27.1
225.14978	100.0
238.64987	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1861
Annotation	Myristoleic acid
Peak:m/z	Relative Intensity
59.01386	0.7
64.27728	0.2
64.91095	0.2
82.29485	0.3
83.05008	1.1
88.70877	0.3
103.03639	0.3
112.24784	0.3
113.00163	0.3
125.54952	0.3
181.12276	0.4
183.06815	0.3
198.07942	0.5
207.17435	2.0
225.11333	1.3
225.18611	100.0
240.02298	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.2224
Annotation	Pentadecanal
Peak:m/z	Relative Intensity
55.01874	1.0
65.01474	0.7
66.00956	0.8
74.69147	0.6
91.99501	0.6
93.81543	0.8
106.04098	1.1
140.85539	0.7
185.07042	1.2
197.19153	0.7
198.07950	1.6
221.18962	1.1
223.20551	8.6
225.09065	0.8
225.22247	100.0
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
50.96391	0.7
57.03428	1.0
58.02979	41.3
91.70014	0.7
110.37893	0.8
163.11299	1.2
165.12845	28.0
182.15506	88.8
209.11967	1.5
226.14505	100.0
240.21228	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.19402	0.6
103.79448	0.8
165.12796	3.8
182.03685	1.9
183.04509	17.6
183.13916	20.4
209.11771	0.8
227.03506	100.0
227.12830	4.1
227.20222	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	227.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.5
68.99817	3.9
73.02930	3.7
81.03445	0.8
83.01385	70.7
91.01898	0.9
93.03442	1.3
95.01391	1.6
97.02934	0.8
98.39627	0.7
98.82686	0.8
99.00854	0.9
99.04503	4.4
106.03688	0.7
109.01749	1.1
109.02942	3.4
113.03557	5.2
115.29692	0.8
119.01376	4.0
120.99323	1.4
121.06563	1.8
123.00878	3.8
123.04489	1.3
125.02450	1.2
126.04324	1.1
139.07625	4.0
140.07172	4.8
149.05981	0.9
151.04013	8.7
153.01939	47.4
155.16675	0.9
156.10313	2.8
167.03493	3.9
169.05148	1.2
183.06671	1.2
183.11401	4.2
183.13870	5.3
195.03000	18.4
210.07660	2.6
227.05632	100.0
227.09213	3.9
227.14194	1.7
227.16515	1.3
227.20187	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	227.0714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76115	0.2
50.83737	0.2
52.87044	0.2
54.81978	0.2
59.01389	0.5
62.32760	0.2
67.49513	0.3
76.57307	0.3
83.05018	1.6
84.02177	0.4
89.42136	0.2
117.03405	0.4
119.04996	0.6
123.95087	0.3
124.99124	0.3
127.33734	0.3
141.07095	1.4
142.82137	0.3
143.05020	10.9
157.06558	2.8
159.08125	4.0
163.11290	0.6
165.12796	3.2
181.06590	2.0
182.07385	3.2
183.08159	6.3
183.10226	0.6
183.13918	9.2
184.05312	0.3
185.06079	27.1
209.11833	18.5
224.08286	0.3
227.07155	100.0
227.12880	6.4
227.16553	1.6
227.20157	10.3
232.40480	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45043	0.8
56.06130	0.9
58.00594	4.4
68.01404	5.1
68.99813	3.8
70.02972	1.6
76.86021	0.8
81.45049	0.8
96.00915	1.7
97.01694	6.0
98.02470	100.0
109.06559	0.9
113.06075	6.9
116.05048	5.9
127.07647	1.7
157.07672	0.8
157.71803	1.0
165.12862	5.0
178.97798	0.8
183.13927	3.5
192.44923	0.8
196.19991	0.8
209.11800	4.3
227.08260	34.7
227.20151	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	227.104
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09930	1.7
57.47886	1.6
73.02964	2.3
78.07067	1.9
82.00944	2.3
82.02966	2.8
83.01381	2.1
85.81139	1.8
88.74416	1.9
89.33096	1.8
95.04982	2.5
96.00885	2.3
97.02938	7.8
97.04067	8.9
98.02468	2.6
109.01680	50.8
112.07671	28.4
113.03564	98.5
114.05590	7.8
114.09220	9.8
126.03041	2.7
126.03468	1.7
126.04357	23.5
129.10394	1.9
138.09221	8.0
139.04025	8.9
139.07671	7.5
140.07179	100.0
148.07736	2.9
155.10791	2.1
156.10297	36.0
164.04787	3.3
165.10316	2.5
165.12831	9.0
166.08717	19.5
179.07063	3.3
183.11412	82.2
183.13840	32.2
208.93336	4.2
209.11745	2.9
210.07712	42.9
227.05516	8.6
227.10516	62.0
227.14284	29.8
227.16483	8.5
227.20178	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	227.1039
Annotation	(S)-ATPA
Peak:m/z	Relative Intensity
53.38524	0.8
59.01378	2.1
67.01892	0.9
82.02972	13.4
93.03464	1.1
95.05013	25.3
96.00935	1.5
96.04575	1.4
97.02951	14.2
97.04069	2.0
98.02528	1.5
107.37835	1.1
109.01689	17.6
111.00914	2.0
112.04082	4.6
112.07684	15.5
113.03564	42.0
114.05607	24.8
114.09265	4.6
116.07230	4.5
121.06636	1.4
124.05283	1.2
126.04373	6.5
127.08747	14.4
129.10382	1.1
129.39139	1.2
130.08759	1.4
138.09288	1.9
139.04021	25.6
139.07664	8.3
140.07176	38.1
153.10454	1.2
155.08218	3.4
155.11937	1.8
156.10327	15.6
165.05624	1.4
165.09152	1.8
165.12886	4.1
166.08775	10.3
183.03050	6.2
183.06712	4.8
183.11400	100.0
183.13731	18.5
195.06140	5.7
208.93549	1.9
209.11928	2.0
210.07727	17.8
227.02199	8.1
227.05757	10.3
227.10493	77.6
227.14073	49.7
227.16660	3.9
227.20161	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	227.1291
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
63.94487	0.2
68.54386	0.2
69.80223	0.2
71.56821	0.2
84.06547	0.3
85.97460	0.2
86.08321	0.3
93.24962	0.3
103.62915	0.2
111.08159	0.5
111.10747	0.3
153.53331	0.2
165.12846	16.2
176.47495	0.2
183.13908	100.0
199.13470	0.3
209.11816	2.7
227.12904	16.8
227.20107	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.129
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
63.37693	0.3
80.02647	1.5
80.44064	0.3
81.03445	0.5
83.05019	6.4
84.02171	3.5
95.05061	0.7
95.11178	0.3
97.02888	0.3
117.88012	0.3
125.06076	0.5
125.09743	0.4
135.08102	0.6
163.11295	6.1
165.12857	3.9
181.12331	1.9
183.13908	2.4
191.10858	1.4
199.13426	2.1
207.22200	0.4
209.11847	100.0
227.12929	6.5
227.16504	1.1
227.20172	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	227.129
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
50.81300	1.0
58.00568	4.6
59.01375	1.6
64.83376	1.0
77.14234	1.2
87.54740	1.4
110.81907	1.2
157.36688	1.3
165.12865	12.1
181.12283	2.1
183.13905	51.6
199.13402	49.8
208.93390	8.5
209.11815	17.1
222.45602	1.2
226.94485	1.5
227.12915	100.0
227.16551	7.1
227.20166	64.0
227.22456	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	227.1289
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
59.01367	0.5
61.46643	0.3
61.86842	0.5
66.72744	0.3
80.02660	0.9
83.05023	7.6
84.02156	2.3
91.34224	0.4
95.05040	0.5
163.11298	5.7
165.12840	6.9
183.13911	17.5
191.10767	2.4
191.80550	0.5
209.11852	100.0
227.12901	8.2
227.16602	1.0
227.20148	12.6
242.65813	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.129
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
53.84857	1.0
58.00600	3.8
69.21856	1.3
72.23603	1.0
75.41821	0.9
123.76025	1.1
151.11296	1.3
155.14325	2.0
163.11351	1.2
165.12885	12.3
171.13878	1.5
181.12378	4.1
183.13916	48.2
199.13403	51.9
208.93361	8.8
209.11884	14.8
210.14888	1.2
227.12918	100.0
227.16364	9.4
227.20171	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	227.1289
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
68.92468	0.8
80.02642	0.8
83.05022	5.5
84.02146	1.4
91.22507	0.8
132.70248	0.8
156.94814	0.9
163.11285	4.9
165.12827	13.3
183.13905	56.0
191.10764	1.3
209.11852	100.0
227.12872	14.1
227.20143	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	227.1401
Annotation	L-isoleucyl-L-proline
Peak:m/z	Relative Intensity
51.47511	0.7
60.95724	1.0
66.03475	1.4
72.99313	4.4
82.02960	1.2
82.06622	24.0
82.07076	1.8
84.08175	4.7
96.04571	4.3
112.07662	7.7
112.67101	1.0
112.98567	8.8
114.05598	66.4
120.31792	1.2
129.05569	10.4
137.02463	5.5
152.04712	3.0
169.04799	17.4
183.11456	7.6
183.13887	6.3
183.15230	3.4
212.06920	8.2
213.03897	1.8
227.05466	5.6
227.10509	3.6
227.14046	100.0
227.16293	3.3
227.20177	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	227.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25303	0.1
54.25002	0.1
56.30976	0.1
57.03460	0.2
58.00596	2.9
58.42588	0.2
59.01383	0.3
60.13669	0.1
65.82637	0.2
67.22791	0.1
70.74688	0.2
71.01409	0.2
73.02936	0.3
83.05016	0.3
83.70358	0.2
84.02155	0.2
88.74751	0.2
111.08179	0.4
118.14874	0.2
125.92256	0.2
128.39211	0.2
147.74355	0.2
153.12907	0.4
155.14436	1.4
163.11250	0.5
165.12888	2.3
169.12331	0.7
171.13997	1.2
181.12274	1.7
181.15959	1.4
183.13910	3.5
184.28427	0.3
191.10869	0.7
191.14432	0.3
197.15469	5.6
197.17195	0.2
199.13419	25.5
208.93488	0.7
209.11888	8.0
209.15469	13.6
225.15077	1.2
227.13011	45.4
227.16527	100.0
227.20309	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	227.2018
Annotation	Myristic acid
Peak:m/z	Relative Intensity
63.09174	0.1
66.21090	0.1
75.85252	0.1
92.04198	0.2
116.92828	0.2
118.55893	0.2
125.47264	0.2
161.62793	0.2
165.12836	0.2
183.13924	1.5
185.08342	0.2
200.09412	0.3
209.11829	1.0
209.19124	0.2
227.20184	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	227.2018
Annotation	Myristic acid
Peak:m/z	Relative Intensity
55.63326	0.3
59.05424	0.4
78.09024	0.4
85.87802	0.4
101.50558	0.4
104.61382	0.4
140.86792	0.4
196.48247	0.5
227.20180	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87523	0.5
70.02937	0.6
71.01376	6.2
88.04032	100.0
96.99290	2.8
100.02379	0.5
100.95238	0.6
107.21745	0.6
109.01662	0.7
112.07662	5.1
113.06077	10.0
114.01974	9.1
115.00361	17.8
120.66650	0.5
132.03023	71.9
134.08627	0.6
180.17050	0.6
184.09871	4.8
192.14809	0.6
210.07820	1.0
214.08887	0.7
228.05336	0.7
228.08810	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	228.1243
Annotation	crotonyl-L-carnitine
Peak:m/z	Relative Intensity
50.03068	0.8
57.03449	15.8
58.02980	12.3
59.01403	0.9
60.00430	0.7
70.02973	0.8
71.05009	3.2
75.91699	0.7
88.04031	1.7
91.86544	0.8
97.06580	1.7
99.42165	0.9
112.07660	4.7
113.06104	1.8
115.00365	0.9
120.54204	0.7
125.09715	33.5
149.48372	0.7
149.49564	0.8
152.10791	0.9
152.37457	0.7
153.47844	0.9
156.13916	5.4
166.12344	17.4
167.10809	3.6
170.11885	1.9
182.11865	1.4
184.13438	71.9
228.08801	4.3
228.12422	100.0
228.16023	3.6
228.20470	4.9
230.65785	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1604
Annotation	N-decanoylglycine
Peak:m/z	Relative Intensity
55.94855	0.8
140.52429	1.0
155.02512	0.9
161.86310	1.0
167.14404	27.9
184.17014	1.1
198.31657	1.1
210.15016	6.4
211.13426	44.9
228.16042	100.0
229.14450	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	229.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00732	0.2
53.26811	0.2
57.03457	3.0
60.28147	0.3
65.35102	0.3
69.03423	0.8
72.81223	0.3
73.26232	0.3
74.01356	0.3
74.54090	0.3
75.00805	0.4
75.91532	0.3
89.01233	0.3
125.09720	5.6
127.11254	1.5
132.09959	0.3
139.11282	0.7
141.12851	4.0
155.10768	1.7
167.10777	4.9
185.11832	100.0
201.11333	2.2
211.09752	0.4
211.13498	0.6
229.10826	16.6
229.14334	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	229.1445
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
50.07274	0.3
53.52082	0.3
57.03447	0.9
57.13420	0.4
59.01384	0.4
86.49625	0.4
96.97871	0.4
124.80853	0.5
125.09721	1.7
127.11297	4.6
155.14383	2.2
167.14417	1.1
171.10263	3.5
191.92174	0.5
193.08038	0.5
209.11790	3.9
211.13434	7.3
229.14453	100.0
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
57.03451	0.4
61.26442	0.2
69.31935	0.2
83.05039	0.4
85.02922	0.3
125.09744	2.0
127.11272	4.0
131.09920	0.3
165.12819	0.4
167.14366	2.3
171.10237	3.6
183.13855	1.9
193.12355	0.7
203.35091	0.3
209.11845	2.8
211.13396	12.0
229.14449	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1444
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
51.42424	0.3
56.02766	0.3
56.28209	0.3
64.32505	0.4
88.56632	0.3
107.86826	0.4
165.12859	0.6
167.14410	36.4
185.15599	0.5
211.13406	63.5
229.14449	100.0
231.37759	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1444
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03440	1.2
57.56462	0.3
66.36842	0.3
67.78825	0.3
71.05027	0.3
85.02927	0.4
90.69166	0.3
110.33099	0.2
125.09699	2.3
127.11287	3.8
155.14404	2.2
165.12822	1.0
167.14444	2.2
171.10245	2.8
183.13855	1.3
201.15039	0.4
209.11836	2.7
211.13426	7.9
229.14450	100.0
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	Unknow
Peak:m/z	Relative Intensity
50.07957	0.3
55.32710	0.3
56.61929	0.3
59.01381	5.0
66.10345	0.4
67.08470	0.3
68.66264	0.3
114.51218	0.4
149.13315	0.6
167.14450	0.7
169.12346	13.7
172.05177	0.4
181.12320	6.1
183.13867	1.4
193.12372	9.3
199.13435	2.8
201.11183	0.4
211.13425	16.8
227.12881	2.0
229.14459	100.0
247.23268	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1445
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
53.89142	0.3
56.59255	0.3
56.95851	0.3
56.97473	0.3
57.03442	1.8
74.07701	0.3
85.02975	0.4
87.94232	0.3
92.12570	0.3
92.23170	0.7
125.09752	2.7
127.11282	2.9
155.14432	1.9
167.14423	1.4
171.10260	4.2
183.13910	0.9
209.11876	3.3
209.13443	0.4
211.13385	6.6
217.79214	0.3
229.14456	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36302	0.4
57.03444	2.7
59.01385	0.7
64.62327	0.5
100.07655	0.8
109.06555	2.3
109.12734	0.5
112.07734	0.6
116.07166	36.2
119.08658	4.7
126.99746	0.5
127.07641	0.8
129.10341	1.0
137.09735	1.3
139.07655	0.8
149.09734	0.7
185.16591	37.7
229.02988	0.6
229.07210	1.2
229.10838	17.2
229.15582	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	229.1557
Annotation	Ile Val
Peak:m/z	Relative Intensity
51.96676	0.6
82.06629	3.4
88.04027	4.0
91.57133	0.7
105.78136	0.8
112.52316	0.7
114.09298	0.7
115.08719	0.8
116.07158	23.5
129.10338	0.9
130.08737	12.2
137.67018	0.8
143.11861	1.3
168.13902	4.1
185.16600	47.0
229.10741	3.1
229.15575	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
61.00969	0.4
63.89680	0.4
65.89788	0.4
84.08146	0.5
98.06092	0.6
114.09270	1.7
115.08771	4.7
120.32921	0.5
120.90550	0.4
130.08733	31.7
168.14101	0.5
185.16597	37.1
224.73599	0.5
229.15585	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02949	1.0
71.01371	12.1
76.46198	0.9
79.64815	0.8
88.04034	100.0
96.99302	7.9
114.01961	10.7
114.09238	92.2
115.00361	28.1
115.07639	38.6
132.03035	7.1
145.59303	1.0
145.66611	0.8
149.84459	0.9
155.23480	1.1
168.10315	8.8
186.11346	38.0
212.09314	8.3
230.10341	65.2
230.17676	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	230.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
63.20867	0.7
63.71077	0.6
67.80560	0.6
71.01376	6.8
73.51363	0.7
81.75436	0.8
88.04031	77.5
96.99310	4.2
97.25231	0.7
99.35825	0.6
105.60371	0.8
114.01945	4.0
114.09231	67.9
115.00357	21.7
115.07635	22.5
127.34044	0.7
132.03040	6.0
140.10747	0.8
168.10307	4.7
186.11372	31.3
212.09274	6.0
230.10332	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10717	0.6
58.11016	0.5
59.01379	48.4
70.02980	1.3
71.01369	8.2
88.04030	100.0
96.99306	6.8
100.07668	5.4
104.06562	0.6
114.01945	8.6
114.09232	79.0
115.00362	23.9
115.07635	34.5
130.08749	2.4
132.03017	5.4
140.10805	0.9
142.12381	3.7
154.08775	0.8
168.10330	5.7
168.13954	0.8
170.11867	28.2
170.32898	0.7
181.85266	0.6
186.11354	31.9
186.13036	1.1
188.38649	0.6
197.64340	0.6
212.09256	6.6
212.12839	0.7
229.21402	0.6
230.10345	67.6
230.13884	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	230.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17650	0.7
71.01381	10.9
78.18241	0.7
88.04034	100.0
92.22684	1.1
92.23215	0.7
96.99320	5.9
111.45835	0.9
114.01954	4.6
114.09238	82.6
114.99596	1.3
115.00362	24.6
115.07632	29.7
132.03046	7.4
152.51163	0.8
168.10292	6.1
186.11369	31.7
212.09248	6.8
219.46048	0.9
230.10349	72.4
240.63445	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24308	0.2
57.03447	0.3
57.36409	0.2
63.36576	0.2
64.81968	0.2
72.00909	1.0
80.60722	0.2
113.09754	0.4
138.12897	0.5
151.11295	0.5
156.13933	8.3
166.12349	2.8
167.10767	4.3
169.12320	4.2
184.13435	51.9
186.11351	0.3
212.13057	0.3
213.11325	0.4
228.12555	0.3
230.13979	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26939	0.7
58.02982	1.1
59.01382	100.0
60.38240	0.6
70.02965	4.6
71.01366	1.1
79.56494	0.8
88.04034	15.4
91.08387	0.7
96.99287	9.5
100.07681	25.2
114.01987	1.5
114.09255	9.0
115.00349	2.0
115.07635	4.9
126.09229	1.1
130.08748	6.4
142.12366	5.7
142.47160	0.9
152.10793	1.2
153.09219	1.4
154.08745	8.6
168.13942	1.4
170.11876	55.8
186.11353	4.6
198.07704	5.1
212.09325	1.7
212.12834	1.2
230.10516	7.9
230.13959	55.8
240.28795	0.8
248.35760	0.9
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	beta-dibutyrin
Peak:m/z	Relative Intensity
53.56699	1.0
59.01382	25.4
72.99299	1.4
73.12602	1.2
88.41730	1.4
92.23064	1.3
104.54781	1.5
105.48411	1.4
125.09775	1.5
132.53427	1.4
151.11249	2.3
163.45514	1.6
169.12343	31.7
171.10269	100.0
185.11870	5.3
213.11298	8.1
216.44577	1.4
231.12370	54.4
231.15862	2.7
236.22563	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	231.135
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
50.04749	0.4
56.55175	0.4
70.31487	0.4
73.04066	10.5
73.35361	0.6
78.24178	0.5
106.64430	0.4
120.79559	0.5
130.08725	72.3
139.97675	0.5
141.10394	0.5
143.11891	26.7
187.10878	100.0
231.13513	25.4
244.92070	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1601
Annotation	3,12-dihydroxydodecanoic acid
Peak:m/z	Relative Intensity
52.80054	0.4
59.01391	1.3
59.22493	0.4
71.49886	0.3
115.51193	0.3
127.07671	0.7
127.11253	1.8
145.08708	5.3
160.66861	0.4
171.10258	3.8
185.15530	0.5
196.05934	0.4
213.14935	4.0
229.14439	3.9
231.16014	100.0
237.52873	0.4
240.99905	0.4
249.36331	0.4
253.75510	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.0575
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80463	0.2
59.01375	1.2
61.42856	0.2
69.00930	0.4
71.02496	0.4
74.02469	0.5
75.44082	0.2
77.03572	0.2
81.00937	5.6
86.02477	0.5
96.58429	0.2
97.00436	5.7
98.02409	0.4
98.03589	1.0
99.00889	0.4
99.01996	2.9
101.03558	0.4
102.01990	0.4
108.95298	0.3
111.01987	4.6
116.03549	0.4
124.99925	39.8
129.03065	2.9
130.01459	0.4
136.35303	0.2
141.03088	0.5
142.02580	100.0
154.02577	4.8
155.00989	0.3
159.89380	0.5
172.02457	0.4
172.03752	0.4
188.11281	0.4
189.05191	0.4
232.05763	5.0
235.59261	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1035
Annotation	ascr#11
Peak:m/z	Relative Intensity
51.81855	0.3
54.82568	0.3
59.01382	24.2
59.55207	0.3
74.00755	0.3
74.99075	2.1
86.51398	0.4
93.00133	1.6
93.03453	4.7
111.04544	0.4
134.99405	1.6
149.00949	46.0
161.06374	1.7
173.04536	5.9
190.98697	0.4
215.05560	0.5
217.07214	83.7
233.10345	100.0
233.15375	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	233.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38481	0.1
56.67705	0.2
59.01384	0.9
85.26744	0.2
92.22536	0.2
92.24657	0.2
233.15479	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	235.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25027	0.7
52.37016	0.7
58.19840	0.7
58.26959	0.6
59.01139	0.7
59.01384	10.6
63.33362	0.8
71.01368	1.1
88.04033	86.9
91.05531	8.9
94.02961	0.9
99.05631	24.8
104.15299	0.9
113.97322	0.9
124.04033	1.8
131.04967	0.9
143.04465	0.9
146.55875	0.8
174.09213	4.3
213.29831	0.9
217.09732	1.1
218.08229	1.3
235.10890	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59508	0.6
59.01381	1.1
70.02975	1.1
71.01333	0.6
80.47378	0.7
87.04510	3.7
87.05630	100.0
91.05524	11.2
94.48244	0.6
113.66175	0.7
127.92955	0.6
129.01924	1.3
132.51079	0.8
147.04514	26.8
147.05620	1.4
148.55748	0.7
164.07216	11.1
191.11926	4.7
235.10889	93.0
249.11684	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08341	0.7
53.70658	0.8
55.01886	8.6
55.98572	0.7
56.81780	0.9
57.03448	9.7
59.01381	90.8
62.77200	0.9
71.01379	69.7
71.05012	1.2
72.99310	1.4
73.02941	38.6
73.06596	1.9
74.84098	1.0
75.00875	1.7
81.97903	0.9
83.01388	23.0
85.02948	50.4
86.00108	2.1
87.00890	1.8
89.02439	4.5
92.22889	3.2
95.01387	7.9
97.02959	1.6
99.00874	14.3
101.02438	100.0
109.22581	0.8
111.00854	1.3
113.02438	37.0
119.05002	5.9
119.52348	1.0
129.01945	1.9
144.04550	4.0
146.06061	3.3
146.87404	0.9
159.02969	5.0
161.04555	18.7
163.04060	2.0
173.06111	1.2
190.05119	2.1
196.18451	1.0
235.06389	4.1
235.11876	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	235.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	8.2
57.03445	6.5
58.81500	1.1
59.01382	83.7
71.01377	69.0
71.01778	1.7
71.05008	1.7
72.99300	2.6
73.02938	38.5
73.03306	2.3
73.06613	1.3
75.00865	2.5
79.36607	1.3
81.23247	1.2
83.01376	22.4
85.02944	51.8
87.00855	3.0
87.05630	6.0
89.02437	9.3
94.59041	1.3
95.01389	3.3
99.00879	16.0
101.02438	100.0
111.00886	2.1
113.02449	39.0
124.59296	1.3
129.01936	1.6
139.92020	1.2
143.03552	2.4
143.04823	1.2
147.04492	1.6
159.02988	6.3
161.04533	22.2
175.73465	1.4
184.95686	1.4
220.62675	1.6
235.11951	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	235.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59887	0.5
55.01881	8.4
57.03446	5.8
59.01381	79.8
62.00217	0.5
67.99523	0.6
69.03452	0.7
71.01378	70.8
71.05002	1.3
72.99290	3.0
73.02940	35.8
73.06583	2.4
75.00864	1.2
83.01383	24.3
85.02944	46.3
86.00092	2.2
86.39996	0.6
87.00860	4.4
89.02437	7.6
89.84657	0.7
95.01362	4.8
96.95999	0.9
97.02930	1.5
99.00883	12.8
101.02438	100.0
111.00874	3.3
113.02443	37.6
119.03569	0.8
119.04988	1.4
125.02430	1.4
126.53857	0.6
129.01945	1.1
143.03494	1.4
157.18069	0.7
159.03020	5.2
161.04555	18.5
163.04071	1.3
170.95432	0.6
171.94658	0.6
176.39859	0.6
235.06566	1.0
235.11873	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	235.1704
Annotation	Confertifoline
Peak:m/z	Relative Intensity
54.52157	0.7
54.53004	0.7
59.01105	1.5
59.01383	34.1
68.42084	0.8
68.60196	0.7
69.23292	0.8
83.05029	0.9
87.75172	0.9
89.91405	0.9
92.96214	0.9
146.37236	0.8
171.96797	1.1
189.99747	1.0
206.83395	0.9
207.95256	1.1
235.17052	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75605	0.5
53.19483	0.5
53.49920	0.6
55.93532	0.5
60.95973	0.6
71.01377	10.9
115.00362	28.9
120.04542	100.0
121.02949	20.4
130.06677	1.0
148.07678	12.5
162.12317	0.7
174.05588	15.7
192.06686	34.6
203.02115	0.6
218.04564	4.5
236.05650	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	236.0775
Annotation	N-Acetyl-D-glucosaminate
Peak:m/z	Relative Intensity
51.88318	2.9
56.49543	2.7
58.02976	19.7
59.01107	4.0
59.01383	100.0
65.98965	3.0
71.01379	68.2
74.02464	41.1
83.01380	3.8
84.27311	3.6
84.99473	3.1
85.02943	14.6
88.04014	13.7
89.02439	84.2
89.02975	6.0
92.91190	3.1
94.19012	3.1
95.01395	3.9
101.02439	39.9
106.85997	3.2
113.02431	33.0
116.03503	16.3
119.03473	32.3
120.01212	3.9
146.04622	22.2
171.37439	3.1
174.53438	3.3
179.05527	7.1
236.07790	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	236.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20584	0.8
59.52711	0.8
59.94517	0.8
79.95734	85.8
92.23069	1.2
126.12888	18.3
150.09764	1.0
158.52437	1.0
172.13420	16.1
222.57652	1.1
233.44064	1.0
236.09621	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12812	0.9
52.13203	0.8
53.28324	0.8
61.79134	1.0
63.21379	0.9
64.79947	0.9
65.03962	1.6
66.04318	1.1
68.34726	0.9
79.95734	81.1
90.55502	1.1
91.88914	1.0
109.12099	1.0
126.12875	15.9
144.06128	1.2
164.72046	1.2
170.11839	1.1
172.13431	17.9
183.83313	1.1
185.03241	1.1
236.04810	13.1
236.09628	100.0
236.13762	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	237.0405
Annotation	3,4-Bis(methoxycarbonyl)benzoic acid
Peak:m/z	Relative Intensity
61.62067	0.2
71.01376	17.3
74.76623	0.3
85.79250	0.3
92.22708	0.9
115.00358	8.0
121.02947	100.0
153.61778	0.3
193.12338	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	237.062
Annotation	Xanthopterin-B2
Peak:m/z	Relative Intensity
75.60934	0.2
76.97025	1.5
82.42709	0.3
101.43469	0.3
105.60132	0.3
121.02954	2.0
132.72844	0.3
136.97311	1.1
152.96800	2.9
161.30127	0.3
219.05145	100.0
221.03047	1.9
237.06201	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	237.077
Annotation	Swerilactone L
Peak:m/z	Relative Intensity
50.51645	0.5
59.01386	0.7
66.76326	0.5
71.01378	0.7
73.02943	37.2
79.23328	0.5
87.04507	53.3
89.06078	100.0
121.02948	75.2
128.11055	0.6
128.28801	0.6
133.05107	1.0
203.14793	0.7
207.29788	0.5
221.96608	0.5
237.07692	36.3
247.22281	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23342	0.6
59.01360	1.1
69.12643	0.8
69.43553	0.7
71.01374	1.0
71.05000	1.3
73.02941	32.2
73.77319	0.7
78.10219	0.8
80.27187	0.8
82.29908	0.7
87.04507	98.5
89.06074	87.2
95.27370	0.9
98.74240	0.9
107.05015	1.1
121.02945	100.0
123.08144	1.9
125.32611	0.8
127.03835	0.7
135.04486	1.5
137.02431	1.3
138.03191	1.4
147.37286	0.7
150.03256	1.1
164.04778	1.2
165.01883	1.2
166.06343	3.5
167.07129	0.8
175.03986	3.3
178.09990	0.7
181.05141	1.2
182.05859	8.5
183.06619	61.2
189.05586	15.0
193.12334	1.7
194.05811	6.6
208.07417	5.6
209.08195	18.3
219.06699	8.6
237.07710	49.1
237.11414	3.4
237.14655	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86808	0.8
57.72047	0.8
59.01371	9.3
78.95924	1.1
79.37052	0.8
79.66127	1.0
81.76361	0.8
81.82085	0.8
83.53185	0.8
86.04928	0.9
96.66540	0.8
97.02938	6.0
109.06580	1.8
120.60466	0.8
121.02940	2.1
121.10212	0.9
123.04503	1.2
128.69885	0.9
136.05283	13.4
142.02632	0.8
146.75797	0.9
149.13333	4.2
165.12787	1.0
175.11273	4.5
193.12323	41.5
207.02846	1.1
219.10275	26.7
237.11320	100.0
237.15074	4.1
254.92456	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.7
59.01374	6.1
59.74816	0.6
79.72295	0.7
83.04997	1.1
95.04993	1.6
97.06596	1.1
103.15452	0.7
111.08149	26.5
123.08157	17.1
123.58817	0.7
125.06077	3.4
139.11305	5.2
175.69690	0.7
193.12105	3.1
193.15967	20.7
198.69537	0.8
203.92795	0.8
219.09853	0.8
219.13902	3.4
237.10965	8.8
237.14964	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	237.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85953	0.4
57.03437	0.5
58.45987	0.3
59.01104	0.6
59.01385	16.2
74.74765	0.4
80.02689	0.8
81.03453	3.0
87.49639	0.4
100.06138	0.4
102.29778	0.4
108.51957	0.4
121.02950	0.6
123.08154	7.5
125.09714	11.2
137.09750	3.7
149.09735	4.5
149.13354	1.7
163.11276	1.0
165.12849	12.0
169.08661	2.1
191.14433	2.3
193.12375	3.2
193.15984	2.9
214.10001	0.4
219.13899	0.5
237.14972	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	237.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78734	0.6
56.57634	0.6
57.03452	15.4
59.01382	8.3
66.03865	0.7
67.12202	0.6
67.26321	0.7
83.05017	3.3
96.96024	1.0
97.02934	1.2
109.06565	1.8
136.05309	4.3
144.67763	0.8
164.10968	0.9
167.10718	1.7
172.73634	0.8
179.10770	1.4
193.12361	12.2
193.16072	1.8
195.14037	5.3
219.10309	8.0
237.11395	31.6
237.14967	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	237.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	15.6
57.98891	0.6
59.01384	3.4
83.05013	3.0
107.72562	0.9
109.06581	1.6
136.05380	1.0
153.69402	0.7
156.24139	0.8
167.10780	3.1
176.50648	0.8
179.10826	3.6
193.12379	5.6
193.15956	3.3
195.13959	4.2
219.10295	4.3
237.11462	15.0
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	237.1497
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
54.49453	2.0
59.01386	49.4
61.70524	1.9
69.03456	21.5
77.32166	2.1
96.96004	12.1
97.06578	46.5
121.10212	12.9
123.08157	62.2
139.07640	13.2
147.11812	19.0
155.39291	2.5
167.07153	4.7
175.14917	12.3
209.15257	2.1
219.13893	11.0
222.60136	2.0
237.11577	13.7
237.14967	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	239.0562
Annotation	(1R,6R)-6-Hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate
Peak:m/z	Relative Intensity
51.40761	0.6
53.68473	0.7
53.87922	0.7
58.61690	0.7
59.01393	0.9
65.96386	0.6
77.04214	0.6
79.58701	0.7
87.00889	6.7
89.46951	0.7
90.87009	0.8
93.03473	1.1
105.20230	0.6
106.04237	4.0
107.05024	28.7
108.02185	1.0
108.74195	0.7
109.02901	0.7
115.94632	0.8
121.02972	5.2
133.06593	14.9
135.04500	3.8
149.06076	39.1
151.03957	0.9
170.83791	0.7
177.05565	45.1
179.03497	81.0
195.06624	6.1
216.86496	0.8
221.04565	4.5
239.05614	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0562
Annotation	(1R,6R)-6-Hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate
Peak:m/z	Relative Intensity
50.77932	0.7
58.00593	1.5
59.01366	1.8
72.98891	1.2
72.99301	37.9
75.00865	1.4
89.77275	0.9
91.05518	39.1
94.59940	0.9
105.36212	1.0
115.05540	3.3
117.03474	7.4
131.05037	7.1
133.06593	8.3
147.04491	2.3
149.06071	100.0
159.04454	1.5
163.03987	30.9
177.05565	30.1
195.06546	1.1
239.05608	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	239.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78733	0.1
55.64641	0.1
55.69670	0.1
59.01380	0.3
59.96725	0.2
63.83692	0.1
64.56425	0.1
72.99310	0.3
74.99059	3.0
91.02200	8.8
91.05529	0.3
93.00142	1.1
123.10081	0.1
123.89964	0.1
131.14622	0.1
134.62634	0.1
149.00957	0.9
149.06079	1.0
163.03928	0.2
173.56386	0.2
177.05632	0.2
206.99739	0.8
223.02850	100.0
239.05811	1.5
239.16420	0.2
241.03918	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	239.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94263	0.4
54.02155	0.5
56.66555	0.5
57.03427	0.8
58.00599	0.8
59.01383	100.0
70.06009	0.7
72.99306	28.5
81.03459	1.4
83.05031	0.8
85.02962	1.1
91.05525	25.6
95.04992	1.4
97.06574	4.2
105.37954	0.7
107.05055	2.8
109.06568	3.2
115.05533	1.6
117.03465	5.8
131.05043	6.0
131.05968	0.7
133.06602	8.9
135.08144	4.7
141.05580	13.1
147.04521	1.2
149.06079	66.7
151.11278	5.0
163.02687	0.7
163.04021	19.6
176.88928	0.7
177.05576	20.6
177.09167	5.2
179.03543	1.5
179.05640	1.1
179.07150	0.8
195.06512	1.4
195.10274	44.2
204.75204	0.7
221.08246	1.4
239.05618	44.6
239.09262	37.5
258.83847	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1289
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
56.47635	0.2
58.00602	0.2
59.01379	2.6
72.99305	1.6
83.04998	0.2
91.05526	1.7
107.05027	0.2
117.03465	0.3
131.05029	0.2
133.06522	0.7
146.17409	0.2
149.06097	5.4
159.11816	0.2
163.04002	1.1
177.05482	1.7
177.12878	2.8
179.05591	0.4
195.13911	100.0
203.10831	0.7
221.11763	0.3
223.02829	0.3
239.05605	3.5
239.12894	11.8
239.16368	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	239.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.9
59.01380	42.2
72.99288	8.8
91.05524	7.2
93.07064	2.9
99.08145	21.6
113.09741	1.9
119.67301	1.8
120.65624	1.5
132.15756	2.4
139.07674	8.8
149.06065	17.6
149.13347	11.8
163.03923	2.6
177.16530	12.8
179.05609	8.3
191.94861	2.0
193.16042	1.9
195.13911	3.8
201.94017	2.2
221.15491	12.6
223.02895	7.8
239.05661	9.2
239.16530	100.0
239.93434	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	239.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19063	0.6
57.03445	4.1
59.01380	6.7
60.38207	0.6
72.83330	0.6
72.99300	1.0
91.05551	0.9
97.06611	0.9
98.76104	0.7
99.08204	0.6
111.08127	0.7
113.09719	37.6
118.43633	0.6
123.08151	2.7
124.99328	0.8
125.06106	1.0
139.11334	1.4
140.57536	0.7
140.66556	0.6
149.06056	6.1
154.06342	0.9
158.26167	0.7
161.72491	0.6
163.04025	1.2
177.05605	0.7
179.05647	3.4
195.13907	6.7
195.17560	12.8
211.17039	4.4
221.15385	5.0
223.02837	2.5
239.05769	3.3
239.12724	2.7
239.16554	100.0
259.80386	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05587	0.9
59.01383	6.9
72.99310	5.6
78.61645	1.1
91.05526	6.2
97.80451	1.0
140.13892	1.1
149.06081	15.0
151.11322	1.5
163.03984	6.0
177.05579	5.8
179.05634	5.8
183.13914	28.1
195.13928	2.0
203.14439	1.2
209.13524	1.8
209.15468	27.4
221.12062	3.1
221.15477	85.3
223.02856	12.5
239.05559	9.8
239.12749	4.1
239.16550	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2017
Annotation	Cryptomeridiol
Peak:m/z	Relative Intensity
59.01383	4.9
59.25032	0.3
77.48998	0.3
84.42041	0.3
90.46231	0.3
91.02230	0.4
106.04102	0.5
108.57178	0.4
152.51186	0.4
179.05452	0.5
180.84019	0.3
195.13892	0.6
202.31160	0.5
212.09467	1.7
221.19093	0.4
223.02864	5.2
239.06743	0.6
239.20174	100.0
239.76247	0.3
246.15099	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2018
Annotation	Cryptomeridiol
Peak:m/z	Relative Intensity
54.38206	0.3
58.83281	0.3
59.01382	3.7
83.05013	1.5
140.74934	0.4
179.05669	1.5
195.13907	0.7
198.07668	0.5
212.09509	0.6
221.19142	1.7
223.02884	2.8
239.20180	100.0
255.11368	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24566	0.6
58.02980	17.4
60.97812	0.7
74.82925	0.6
169.40105	0.8
177.67274	0.7
179.14426	24.0
191.28677	0.8
196.17082	49.2
222.14946	1.3
223.13414	1.6
240.16060	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1606
Annotation	Valeroidine
Peak:m/z	Relative Intensity
52.24566	0.6
58.02980	17.4
60.97812	0.7
74.82925	0.6
169.40105	0.8
177.67274	0.7
179.14426	24.0
191.28677	0.8
196.17082	49.2
222.14946	1.3
223.13414	1.6
240.16060	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0831
Annotation	Thymidine
Peak:m/z	Relative Intensity
51.38348	2.4
60.28879	2.2
63.52699	3.1
65.13648	2.4
72.78269	2.6
77.89193	2.8
125.03549	15.9
148.19592	3.1
151.05159	11.2
184.30659	2.8
197.04565	3.6
201.04564	3.2
241.01428	3.0
241.08337	100.0
241.18027	5.4
241.21822	18.9
253.06699	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	241.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21310	0.4
57.33569	0.5
59.01360	0.7
59.72718	0.5
60.20380	0.5
68.23057	0.5
69.03442	2.2
69.76786	0.5
71.05019	3.9
83.05003	0.5
94.31982	0.5
109.49285	0.6
125.09700	1.0
136.42601	0.5
151.11259	0.6
153.12863	4.7
169.12355	9.6
179.10791	5.5
192.34546	0.5
197.11848	100.0
200.76297	0.5
223.09840	6.1
223.13423	1.0
225.05635	4.8
226.06291	0.8
241.05511	4.6
241.08711	5.0
241.10840	46.8
241.14548	2.2
241.18106	2.1
241.21770	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	241.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05016	3.6
77.37239	0.9
85.15936	0.8
92.23071	0.9
98.21790	0.8
125.09710	1.4
153.12808	3.3
161.09715	0.8
179.10786	5.5
197.11850	100.0
223.09727	1.8
241.10818	67.8
241.21742	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	241.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67740	0.7
70.02968	1.2
82.02979	18.2
84.04539	4.0
87.22823	1.0
94.19122	0.8
110.02459	1.6
112.04027	8.2
114.09185	1.7
126.09248	1.2
127.05114	7.3
130.08734	11.0
137.38542	0.8
141.10327	18.3
156.36801	0.7
165.25444	0.8
168.09016	1.4
169.09798	1.8
169.13443	3.2
179.11951	1.0
188.96361	0.8
197.12962	98.6
210.98041	0.8
227.17345	1.0
241.11943	100.0
241.21860	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	241.1447
Annotation	A Factor
Peak:m/z	Relative Intensity
54.01096	0.1
54.75703	0.1
57.03455	1.0
58.27627	0.1
58.91240	0.1
59.01380	0.2
71.05019	0.3
76.29768	0.1
81.03456	0.2
83.05036	3.4
84.03863	0.1
85.06570	0.2
95.05016	1.0
97.06583	10.0
109.06577	0.6
111.08153	9.8
111.08936	0.3
123.08188	0.3
124.80196	0.1
137.09764	0.5
147.11800	1.6
149.09726	0.7
163.11295	3.4
165.12851	100.0
167.14461	0.1
179.14421	0.2
188.08685	0.1
197.15491	18.2
209.11862	3.1
225.02692	0.6
227.12933	0.3
239.13660	0.1
241.14490	1.4
241.18121	0.7
241.21826	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	241.2174
Annotation	Pentadecylic acid
Peak:m/z	Relative Intensity
85.14010	0.5
94.55204	0.5
132.84395	0.5
241.21742	100.0
250.24040	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.2174
Annotation	Pentadecylic acid
Peak:m/z	Relative Intensity
60.09913	0.5
62.08787	0.5
71.90118	0.5
73.59184	0.5
76.49487	0.5
94.10234	0.5
102.52257	0.5
120.30609	0.6
141.57294	0.5
241.21735	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	242.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51686	0.4
52.60783	0.4
58.91267	0.4
59.01349	0.4
59.05952	0.4
59.07444	0.4
64.92841	0.5
68.18282	0.5
70.02964	0.7
71.01378	6.5
88.04033	100.0
96.57826	0.5
96.99310	1.9
102.00871	0.4
110.36032	0.5
114.01962	7.6
115.00357	16.7
126.09241	3.1
127.07646	9.4
128.28329	0.5
132.03020	86.0
150.31396	0.4
174.62741	0.5
198.11324	4.2
224.09427	0.9
242.10362	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	242.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	7.7
58.02972	5.9
58.86348	0.9
62.62147	1.1
71.11459	0.8
88.04031	2.2
93.90863	1.0
115.00375	1.0
120.03887	0.8
125.40398	0.9
126.09244	2.1
139.11293	24.2
153.12802	1.2
157.38510	1.1
158.06314	0.9
166.12383	1.8
170.15512	1.8
180.13977	18.6
181.12381	3.7
181.74055	1.0
184.13466	1.4
196.13435	4.0
197.42479	1.0
197.99947	1.0
198.15002	53.4
198.16843	1.9
202.55241	0.9
211.75731	1.1
224.12878	2.2
225.11368	1.8
242.13998	100.0
244.26494	1.0
248.92404	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77420	0.6
58.02968	6.2
59.01374	0.8
64.60561	0.7
69.38731	0.6
70.03027	0.6
71.05017	11.1
78.95898	0.7
83.05022	0.7
85.06574	0.9
97.06583	7.2
99.00220	0.7
99.00858	5.8
110.94105	0.7
125.09717	16.7
133.65976	0.7
134.45840	0.8
141.05663	1.0
142.12390	0.9
152.10814	1.2
161.55185	0.7
163.11246	1.8
170.11873	1.8
170.15503	1.7
180.13953	12.5
181.12335	5.2
198.15005	29.7
207.10248	5.0
224.12944	16.6
225.11284	5.0
242.13994	100.0
242.22055	3.7
254.50792	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74472	0.1
55.01884	0.1
58.02975	1.9
71.05018	9.2
75.18746	0.2
78.59578	0.1
83.93213	0.1
85.06580	1.2
86.70173	0.1
97.02942	0.2
97.06571	0.7
99.00872	5.8
114.09215	0.2
125.09716	16.6
131.34119	0.2
163.11290	0.8
171.97954	0.2
180.12346	0.3
180.13947	9.0
181.12271	1.5
198.15005	23.0
207.10265	4.2
224.09558	0.2
224.12932	14.1
225.11342	6.0
242.13998	100.0
243.16176	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	242.1763
Annotation	N-Undecanoylglycine
Peak:m/z	Relative Intensity
69.33471	1.2
102.29784	1.5
119.17449	1.4
181.15984	31.6
214.47449	1.6
224.16547	7.7
225.14961	50.5
242.17615	100.0
243.16008	3.4
244.85202	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	243.0622
Annotation	Uridine
Peak:m/z	Relative Intensity
50.08819	0.7
50.96825	0.7
51.12016	0.7
58.52269	0.7
66.03487	7.1
68.01385	1.0
71.01371	1.1
71.15276	0.7
82.02978	18.7
91.27957	0.9
108.04549	1.7
110.02468	100.0
111.01990	8.2
122.02487	6.2
123.90761	0.8
124.03999	1.2
140.03535	11.5
148.66124	1.0
152.03542	23.1
153.03067	11.2
183.04129	1.0
200.05656	41.4
243.03862	1.3
243.06235	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	243.1239
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
55.06417	0.8
68.62398	0.8
109.06557	1.2
125.09647	1.6
153.12869	2.3
160.19963	0.9
171.10240	3.8
181.12358	17.9
197.11812	5.3
199.13416	89.5
207.10298	4.2
225.11302	15.4
230.99165	1.2
243.12392	100.0
259.37177	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	243.1237
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
59.01104	2.8
59.01382	53.4
71.11449	1.4
81.12690	1.4
121.77854	1.7
139.11302	12.0
145.02946	7.2
155.10738	6.5
161.12683	1.7
181.12332	46.2
183.10260	100.0
199.13374	27.6
207.10313	3.1
225.11317	14.8
227.03525	3.6
228.04294	7.8
243.06709	22.5
243.12369	94.8
245.82051	1.6
262.55670	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	243.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87923	0.5
59.01368	0.9
62.50188	0.5
69.03465	0.5
71.01346	0.6
71.05018	3.1
83.05005	0.6
83.98447	0.5
86.28213	0.5
97.02937	4.0
99.00881	22.8
105.76400	0.6
109.06562	0.8
110.03709	0.8
125.09692	6.5
127.11273	1.0
153.12869	2.2
155.14429	1.1
163.11305	9.5
181.12346	32.0
197.11873	1.0
199.11490	0.7
199.12025	0.6
199.13397	29.0
207.10271	60.7
225.11331	92.4
243.12373	100.0
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 1
Peak:m/z	Relative Intensity
50.15253	0.4
66.39217	0.5
71.05022	1.2
83.28311	0.4
92.23096	0.7
97.02937	1.8
99.00878	13.7
101.33966	0.5
109.06577	0.7
120.67973	0.5
125.09700	4.3
145.99135	0.5
149.89592	0.5
153.12770	0.5
155.14401	2.7
163.11278	5.5
181.12358	19.6
193.44751	0.6
197.11816	0.8
199.13409	19.2
207.10287	33.0
207.84846	0.5
225.11333	76.0
234.50337	0.5
243.12378	100.0
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	Unknow
Peak:m/z	Relative Intensity
50.69224	0.4
57.03446	1.2
58.02688	0.5
58.23249	0.4
59.01375	0.7
65.47400	0.6
71.05013	3.5
82.83949	0.7
85.06568	5.6
97.06595	1.1
99.08161	2.6
109.06557	0.7
111.08134	0.9
125.09694	3.8
126.09280	0.8
127.07635	0.7
127.09596	1.1
136.32774	0.6
143.07147	2.8
144.43013	0.5
153.12848	3.6
163.11311	0.7
181.12337	9.4
197.11821	4.3
199.13408	100.0
225.11372	4.0
243.09964	1.3
243.12395	36.1
264.68887	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97027	0.2
58.02979	2.0
59.01372	0.4
63.09561	0.2
66.03490	0.4
69.03444	0.2
70.02972	4.4
71.01383	0.3
72.04544	1.1
82.06619	4.9
84.08186	1.1
85.04066	1.9
86.02471	2.2
87.00842	0.3
87.05656	0.2
96.00869	0.3
98.02469	13.6
99.00886	0.4
110.02425	0.3
111.02005	1.2
112.04028	1.4
112.07674	1.2
113.06030	0.3
113.09746	1.3
114.01963	11.3
114.09240	1.3
116.03546	2.3
128.07175	1.5
128.10835	0.2
129.03049	1.0
129.10327	5.1
130.08731	56.6
137.09766	0.4
138.09253	0.8
138.12895	2.0
140.10783	2.8
141.10353	1.2
152.03505	0.3
155.10774	1.5
156.30443	0.3
157.13457	20.6
163.03989	0.9
165.10347	0.4
166.08710	0.4
167.11859	0.4
181.08705	0.5
181.13547	0.4
182.15498	5.6
183.11386	7.8
184.09714	0.4
189.50189	0.2
197.12935	0.5
197.16583	0.4
199.09715	1.1
199.14758	1.9
199.18176	33.3
200.07457	0.4
201.12521	1.3
201.78928	0.2
225.12468	1.2
240.99823	0.3
243.08899	2.8
243.13510	24.5
243.17157	100.0
256.88971	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
60.69060	0.4
61.63527	0.5
63.42484	0.4
64.66082	0.5
70.25130	0.5
75.17538	0.4
77.78535	0.5
82.71487	0.6
88.36435	0.5
97.17472	0.5
125.58015	0.6
139.66318	0.6
148.19760	0.5
152.43814	0.5
181.15994	47.6
182.10329	0.6
199.16986	2.0
204.10297	0.5
225.14977	81.1
243.16022	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1602
Annotation	1,11-Undecanedicarboxylic acid
Peak:m/z	Relative Intensity
54.26060	0.4
59.64197	0.4
60.69568	0.5
61.59174	0.4
64.63153	0.4
67.60566	0.4
141.29353	0.5
181.15987	50.8
199.17076	1.1
225.14975	81.9
243.16020	100.0
248.36203	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1714
Annotation	Ile Leu
Peak:m/z	Relative Intensity
50.60439	0.7
56.34015	0.7
63.11849	0.7
65.20034	0.8
65.29303	0.8
67.62021	0.8
78.87192	0.7
86.40609	0.8
114.09174	0.9
129.10333	4.2
130.08725	37.9
181.08803	1.0
184.92097	0.9
199.18170	32.6
237.97359	0.9
240.55325	0.9
243.08769	1.5
243.17143	100.0
252.86143	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84439	0.4
64.23868	0.5
79.68748	0.5
81.73068	0.4
82.06622	5.9
84.08172	0.5
84.82880	0.4
96.13074	0.4
99.23717	0.4
103.91442	0.4
104.70449	0.4
112.07685	0.8
114.09231	0.5
129.10361	5.0
130.08731	43.6
141.10376	0.7
143.73619	0.5
157.13458	2.8
182.15498	5.2
199.10916	0.6
199.18169	35.7
205.62665	0.4
243.17142	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	243.1966
Annotation	2-Hydroxymyristic Acid
Peak:m/z	Relative Intensity
52.85027	0.4
61.25948	0.4
63.89582	0.4
67.28867	0.4
85.33390	0.4
157.53340	0.5
195.17482	2.3
197.19112	78.1
198.95175	0.4
225.18645	2.0
243.19650	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1965
Annotation	2S-Hydroxytetradecanoic acid
Peak:m/z	Relative Intensity
59.01383	100.0
59.24804	1.2
75.39282	1.2
85.11647	1.7
89.83806	1.1
92.22539	1.5
96.58344	1.3
100.40608	1.4
108.58260	1.2
127.13072	1.3
128.88136	1.4
156.45782	1.6
172.32867	1.7
243.19659	53.8
243.22050	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	244.119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94143	0.8
54.36988	0.6
54.52349	0.6
56.63362	0.6
56.89498	0.6
70.02971	1.4
71.01373	10.4
78.66190	0.7
80.27891	0.8
88.04029	100.0
96.99323	7.5
114.01952	8.1
114.09193	7.1
114.99592	1.4
115.00359	26.1
127.86223	0.7
128.10808	82.1
129.08319	1.7
129.09216	34.5
132.03004	7.7
168.10324	1.0
171.81862	0.8
181.12393	1.1
182.11852	4.3
198.14987	8.1
200.12941	26.2
226.10855	6.3
244.11903	79.2
244.15501	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	244.119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44326	1.2
65.08582	1.1
71.01372	7.5
74.12593	1.1
76.81122	1.2
88.04034	88.3
96.99322	2.3
110.82418	1.5
114.01947	6.3
115.00364	21.8
128.10806	72.7
129.09213	29.1
132.02985	7.6
137.79204	1.4
179.42181	1.4
182.11845	3.2
186.16943	1.3
199.94757	1.4
200.12917	21.4
202.36595	1.4
226.10869	1.9
244.11893	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1303
Annotation	GLY-GLY-ILE
Peak:m/z	Relative Intensity
50.13363	0.8
51.24376	0.6
58.02979	7.5
63.15360	0.7
66.70670	0.6
70.02972	0.8
74.02469	1.6
82.06613	1.1
82.11926	0.7
88.04047	3.8
98.01893	0.9
98.02472	24.3
100.50138	0.7
103.80150	0.7
109.01651	1.0
113.03565	24.5
121.44647	0.8
128.07216	1.0
130.08733	100.0
138.09280	0.7
140.07196	4.1
141.10329	19.0
150.87460	0.7
156.10269	2.8
157.85521	0.8
165.10370	3.2
182.12984	3.1
183.11389	12.8
210.07750	5.7
227.10387	20.2
244.08275	3.1
244.13034	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	244.1555
Annotation	Isovalerylcarnitine
Peak:m/z	Relative Intensity
50.71802	0.3
58.02979	0.3
86.29800	0.3
103.16342	0.3
109.01640	0.3
115.35535	0.4
124.84435	0.3
153.12825	1.1
154.81367	0.3
165.12880	0.3
170.15508	9.1
178.82874	0.3
180.13976	4.9
181.12352	7.5
183.13934	4.6
198.15010	44.8
226.14494	0.4
242.14117	0.4
244.15555	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0931
Annotation	N-Acetyl-DL-tryptophan
Peak:m/z	Relative Intensity
56.70292	0.9
58.02972	20.9
60.54198	0.9
63.84692	0.9
67.86148	1.0
70.02975	13.5
72.00896	2.5
72.04536	5.7
72.15067	1.2
74.02467	82.6
76.40739	1.0
83.28326	1.1
86.22350	1.1
86.55647	1.0
96.57317	1.1
98.02470	21.6
116.03527	27.8
116.05037	26.8
120.92604	1.2
124.01895	1.1
130.06609	4.7
142.06613	8.0
154.68288	1.2
159.09212	5.4
186.05632	1.5
201.10344	15.2
203.08269	100.0
245.09300	85.3
246.28236	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1395
Annotation	CHEBI:78812
Peak:m/z	Relative Intensity
51.59222	0.9
58.00589	8.6
59.01382	28.2
65.74140	1.4
71.01378	5.6
73.02940	2.6
73.81059	1.4
74.02480	5.4
83.05019	2.8
95.05021	6.8
98.02478	1.4
109.06580	1.5
111.08150	21.8
113.06077	19.2
115.03997	61.2
116.03513	2.3
121.03008	1.2
125.09733	1.2
126.09238	2.4
127.07610	5.0
127.11321	2.5
129.05534	1.1
139.60074	1.3
145.05060	14.2
147.11836	2.3
153.09283	1.5
155.10818	1.6
157.05058	1.6
163.11226	1.4
165.09290	1.4
165.12836	9.0
167.10771	1.1
171.10294	5.2
185.11929	2.1
185.89507	1.2
199.09718	1.5
201.11343	83.7
203.08292	8.6
209.11844	54.9
227.12860	30.0
245.09663	5.4
245.13959	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	245.1395
Annotation	CHEBI:78812
Peak:m/z	Relative Intensity
56.19175	0.3
57.03448	0.8
64.27384	0.3
65.24432	0.3
65.38251	0.3
71.05004	0.4
72.96202	0.3
83.05013	0.3
84.18553	0.3
87.00828	0.3
91.59479	0.3
95.61064	0.3
97.06573	0.5
111.08125	3.1
155.14366	3.2
157.64767	0.4
165.12840	21.8
171.10349	1.4
183.13905	22.4
191.10716	0.4
199.13359	0.8
201.14981	12.0
201.16777	0.7
209.11852	19.0
215.15202	0.4
225.11327	1.4
227.12914	50.4
243.12352	0.6
245.13956	100.0
246.12079	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17773	1.0
74.16161	1.1
75.00885	1.2
79.35847	1.2
94.25932	1.3
99.00864	1.3
100.39005	1.1
111.08148	1.9
117.69792	1.1
121.76382	1.5
139.11317	4.8
146.16014	1.6
148.82729	1.3
155.14417	1.8
165.12865	20.3
171.10306	22.8
173.09253	1.4
181.12292	1.5
183.13899	24.1
187.09694	1.8
199.13425	2.0
201.15054	11.5
209.11923	18.6
227.09299	2.4
227.12933	53.9
245.13971	100.0
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	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
70.91817	0.4
97.06574	1.1
100.15894	0.5
109.15631	0.5
125.09701	0.5
128.55917	0.5
151.11281	7.5
169.12315	8.4
171.10265	2.5
183.13878	0.7
183.91104	0.5
245.13956	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	246.1347
Annotation	3-hydroxybutyrylcarnitine
Peak:m/z	Relative Intensity
55.50041	1.4
63.67688	1.9
72.99307	20.4
75.00867	92.2
86.04269	1.6
89.86467	1.6
96.96994	1.7
109.01678	8.8
120.61248	1.4
130.08725	18.4
140.10806	3.6
159.29214	1.6
170.11870	9.0
200.13031	1.7
210.07690	11.7
222.51974	1.6
228.08752	2.5
246.13474	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	1.2
59.01395	2.9
68.78812	0.3
71.01376	0.4
73.41744	0.3
74.02489	1.3
77.23537	0.4
83.05032	4.4
91.04001	1.5
109.06549	0.8
111.08150	93.3
129.09236	3.8
155.07268	0.5
173.08186	100.0
175.07210	0.5
186.95557	0.4
205.14679	0.4
247.06444	0.6
247.11884	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	247.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29160	0.2
51.22035	0.2
53.07020	0.2
53.94061	0.2
60.57985	0.2
79.73585	0.2
97.86127	0.2
127.41487	0.2
247.17038	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0323
Annotation	Unknow
Peak:m/z	Relative Intensity
63.56725	0.3
78.95895	1.4
93.03448	48.6
127.28939	0.3
148.13724	0.3
154.99037	5.6
187.29500	0.4
220.24219	0.3
249.03238	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	4.4
62.99072	0.5
70.76138	0.5
75.00836	0.5
92.05062	2.2
96.09306	0.5
101.06076	4.6
108.51614	0.5
116.05088	0.9
118.06618	15.1
128.05061	25.5
129.01846	0.6
130.53194	0.5
131.03761	13.8
144.04550	100.0
145.02995	0.6
145.23302	0.5
146.06122	68.6
172.04042	10.0
190.05115	85.4
205.08629	0.7
249.08676	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	249.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73430	1.2
53.43784	1.2
55.01876	7.1
57.03445	3.3
59.01102	2.9
59.01380	63.5
71.01376	74.6
73.02940	36.3
83.01383	25.4
85.02944	46.5
86.00072	2.0
89.02440	3.5
95.01372	7.2
99.00868	17.0
101.02436	100.0
113.02449	36.8
129.01936	2.0
143.03459	2.2
159.02957	5.9
161.04520	23.4
162.60036	1.8
190.05121	1.7
205.08754	1.6
249.13396	29.7
249.15770	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	249.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	10.1
57.03444	7.1
59.01102	2.9
59.01384	76.6
64.14793	1.5
64.83508	1.5
71.01378	72.9
73.02938	35.5
83.01369	26.3
85.02940	43.0
85.06553	1.9
87.00884	6.2
89.02438	3.6
91.06568	1.3
95.01392	6.6
97.02959	2.8
99.00874	13.1
101.02440	100.0
101.06092	1.8
101.29701	1.5
111.00839	2.5
113.02436	29.1
129.01929	2.2
144.04561	8.7
146.06126	6.4
147.04445	1.8
159.03001	2.8
161.04546	20.1
164.07175	11.3
190.05098	2.9
191.46567	1.7
249.13455	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	249.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	8.5
57.03444	4.0
59.01098	3.4
59.01383	75.7
63.28524	1.4
71.01374	60.4
73.02943	38.8
75.84828	1.8
80.38026	1.6
83.01386	18.9
85.02945	44.4
87.00881	3.2
89.02446	2.2
95.01388	3.4
99.00875	11.8
101.02443	100.0
108.19204	1.6
113.02439	32.1
121.42531	1.6
129.01996	2.0
143.03488	2.9
144.04524	7.2
146.06129	6.9
147.68941	1.7
159.02934	7.2
161.04550	21.3
190.05110	8.8
223.30548	1.9
249.13431	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	249.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36374	1.4
53.23060	1.6
55.01882	8.2
55.22891	1.5
57.03444	3.0
59.01102	3.8
59.01380	74.4
59.84503	1.8
65.59401	1.7
65.63734	1.8
71.01373	65.7
72.99320	3.7
73.02940	35.3
79.05525	2.4
83.01375	26.9
83.64923	1.7
85.02942	55.6
89.02437	3.0
95.01372	3.3
99.00851	19.5
101.02433	100.0
113.02439	39.6
119.08660	4.3
147.87810	1.8
159.02953	3.1
161.04538	24.6
161.09729	7.8
165.25479	1.9
205.05023	19.1
205.08548	2.9
249.07700	22.7
249.13422	29.2
266.74655	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	249.1495
Annotation	Xanthoxin
Peak:m/z	Relative Intensity
54.38520	1.4
58.90181	1.3
59.01376	9.4
69.03454	27.1
70.83330	1.4
71.75535	1.9
79.55608	1.4
80.18073	1.5
92.23170	1.7
95.05047	1.8
129.53067	1.6
149.13342	2.7
193.12389	8.5
205.12370	10.7
205.15884	14.9
211.62320	1.6
221.15480	17.8
231.13879	35.0
249.14961	100.0
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	Unknow
Peak:m/z	Relative Intensity
51.91377	0.5
59.01366	0.9
63.96627	0.4
68.07408	0.5
71.01369	5.4
72.06221	0.5
88.04034	67.5
91.05539	4.3
114.01974	5.3
115.00366	11.6
116.38083	0.5
120.04510	2.8
121.02995	5.0
132.03023	100.0
135.04532	2.9
148.05287	0.6
162.09250	2.9
175.88997	0.5
199.65541	0.6
206.08299	6.2
232.06172	1.2
250.03177	0.8
250.07224	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	250.145
Annotation	Furmecyclox
Peak:m/z	Relative Intensity
52.61857	0.1
52.88528	0.1
55.24130	0.1
64.43079	0.2
82.71119	0.1
88.38876	0.2
103.68599	0.1
109.99328	0.1
131.76025	0.2
132.33022	0.2
213.83574	0.2
230.67068	0.2
235.11977	0.2
250.14496	100.0
267.11099	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0522
Annotation	S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine
Peak:m/z	Relative Intensity
57.03455	18.5
59.01381	36.9
63.37393	1.7
71.01380	25.2
72.00909	2.5
73.02939	7.5
74.02472	28.0
75.00867	3.6
83.01395	8.5
85.02946	16.1
86.01942	1.7
86.02471	92.4
87.00866	100.0
87.05614	3.4
89.02436	18.1
89.03557	2.5
98.02463	9.2
99.00883	11.1
99.02000	19.4
101.02452	17.2
103.04023	8.4
111.00878	10.0
111.01994	8.2
113.02438	2.8
114.05568	3.4
117.00445	2.9
117.01946	2.8
117.03056	7.3
118.05084	3.7
118.97973	2.1
119.03528	2.1
128.03554	39.2
129.01926	23.2
131.03520	3.1
132.04218	1.8
139.01488	8.1
141.03033	18.3
143.00969	3.2
146.04584	16.1
147.02982	25.2
150.04916	8.9
152.95944	14.4
159.01454	4.1
159.87103	2.2
161.04512	4.2
164.05638	34.0
171.04132	9.0
191.01996	17.5
199.00737	11.7
224.57669	2.0
224.96599	2.8
224.98688	10.1
233.04085	2.1
251.05188	32.4
251.07719	6.7
251.10129	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	251.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20021	0.3
52.46828	0.3
54.08564	0.3
68.00146	2.9
82.01726	1.8
83.05006	0.5
95.02498	4.5
96.28057	0.3
97.06584	1.6
102.11565	0.4
111.08161	2.1
124.16548	0.3
163.11269	0.5
165.12846	29.1
205.13512	0.5
207.15036	100.0
209.11853	17.2
212.92236	0.4
227.12952	1.5
233.12953	35.9
251.14024	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	251.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
66.90222	0.6
68.00147	2.1
74.77343	0.4
82.01715	1.6
83.04987	0.6
95.02493	4.7
97.06574	1.8
102.42451	0.4
111.08142	2.2
136.70769	0.4
151.08780	0.5
165.12843	24.9
175.34883	0.4
181.97313	0.6
182.10722	0.5
183.55708	0.4
196.90811	0.5
205.13353	0.7
207.15036	100.0
209.11845	16.3
227.12904	1.8
233.12952	31.7
251.14032	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	251.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36321	0.3
57.03429	0.6
59.56968	0.4
62.31516	0.4
69.23392	0.3
97.06604	0.6
100.95500	0.3
107.05018	3.2
115.67209	0.4
123.08136	0.4
124.81084	0.5
125.09719	6.7
125.96172	0.3
144.63176	0.4
207.17525	2.4
209.38799	0.4
233.15512	0.8
251.16547	100.0
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	Juvenile hormone III acid
Peak:m/z	Relative Intensity
54.64332	0.5
55.17867	0.5
56.83753	0.5
97.06608	0.7
107.05037	3.9
123.08116	0.8
125.09727	7.6
165.99533	0.6
207.17496	2.5
233.15381	1.0
242.51366	0.6
251.16528	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	251.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
68.00151	0.4
72.64675	0.2
75.40587	0.2
77.54228	0.2
95.02564	0.3
102.76028	0.2
118.22344	0.2
151.03189	0.2
187.37509	0.2
197.60698	0.3
251.21321	100.0
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
67.14194	0.4
71.01379	5.5
80.36076	0.4
88.04040	1.5
93.03441	7.9
99.86932	0.3
112.95181	0.4
115.00362	12.0
118.02986	6.8
119.88225	0.4
125.63141	0.4
132.03014	4.0
136.04041	100.0
137.02426	7.1
146.06137	2.5
151.16518	0.3
152.54988	0.4
156.48315	0.5
164.07164	9.6
177.95705	0.4
184.09209	0.4
189.74615	0.4
208.06175	7.6
233.73300	0.4
234.04031	0.8
252.05148	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	253.093
Annotation	3-beta-D-Galactosyl-sn-glycerol
Peak:m/z	Relative Intensity
53.37737	0.7
53.86366	0.7
53.86639	0.7
53.99160	1.0
54.24084	0.9
59.01383	100.0
59.96492	0.8
63.33866	0.7
73.02936	2.1
79.58179	1.0
85.02940	1.6
87.00896	1.1
91.48249	1.1
101.02425	3.9
103.18069	1.0
125.02433	1.0
134.45592	0.9
161.04587	7.2
193.07181	25.1
249.57445	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0929
Annotation	3-beta-D-Galactosyl-sn-glycerol
Peak:m/z	Relative Intensity
55.73914	0.7
59.01380	100.0
71.01385	2.1
73.02959	1.1
81.42284	0.9
87.00875	1.1
87.63934	0.8
88.57348	0.7
89.02428	3.9
97.02943	1.1
101.02432	6.5
121.59923	0.7
125.02466	1.2
125.37949	0.9
155.12006	1.0
161.04527	7.7
191.31113	0.9
193.07172	22.8
253.09325	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	253.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.4
61.53086	0.3
62.78877	0.3
63.71049	0.3
86.60075	0.3
92.28826	0.3
102.18806	0.4
118.65389	0.4
123.43993	0.4
138.49988	0.4
195.35014	0.3
244.73682	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	253.2174
Annotation	Delta2-trans-Hexadecenoic Acid
Peak:m/z	Relative Intensity
50.33915	0.3
54.00570	0.3
55.31024	0.3
59.01374	2.3
64.56316	0.3
81.13202	0.3
83.05009	0.6
119.40179	0.4
140.58014	0.3
166.14485	0.4
213.57869	0.4
235.20723	1.5
253.21751	100.0
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
59.01370	2.4
61.53086	0.3
62.78877	0.3
63.71049	0.3
86.60075	0.3
92.28826	0.3
102.18806	0.4
118.65389	0.4
123.43993	0.4
138.49988	0.4
195.35014	0.3
244.73682	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	253.2174
Annotation	(9Z)-Hexadecenoic acid
Peak:m/z	Relative Intensity
59.01390	94.8
91.82516	11.4
112.71611	9.5
138.99706	10.3
161.91464	9.7
178.18533	10.6
193.07159	24.0
253.21735	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	255.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86585	1.7
59.01374	2.9
59.27517	1.9
65.42881	1.7
66.70017	1.7
73.43379	1.9
170.39989	2.0
176.70668	2.3
177.17828	2.4
183.04506	2.7
188.31914	2.0
192.86368	2.5
227.03433	2.1
255.03006	67.5
255.16028	7.9
255.23303	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	255.0299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66738	0.7
59.01369	1.1
61.22718	0.7
69.31582	0.8
69.82063	0.7
70.80103	0.8
73.02982	1.0
83.01376	16.4
83.05024	1.5
88.32340	0.8
89.06944	0.8
92.23095	1.5
97.06566	0.8
108.97478	1.0
118.09005	0.9
125.09747	0.8
127.07647	7.1
142.37891	0.8
171.10280	14.6
175.11200	1.6
183.04498	5.5
187.04001	0.9
190.08644	0.8
193.12314	17.0
204.48421	0.9
206.00571	1.0
211.04086	6.4
211.13393	25.5
227.03535	9.0
237.15073	1.0
240.04189	1.1
255.03011	100.0
255.12354	18.6
255.16006	10.4
255.23299	97.0
275.43961	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.6
59.01373	1.6
67.01859	2.0
77.63161	1.4
82.45644	1.7
83.01387	45.6
83.05000	6.5
99.77179	1.5
114.05576	1.6
125.09682	3.2
138.52335	1.7
152.16017	1.6
163.11256	1.8
167.14412	3.2
171.10274	43.1
175.11282	3.6
183.13947	3.8
187.28873	1.8
193.12335	67.9
202.13988	1.6
211.13406	100.0
255.03082	9.8
255.12401	43.9
255.23296	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	255.2331
Annotation	2-Hexyldecanoic acid
Peak:m/z	Relative Intensity
52.22642	0.3
57.37252	0.4
58.36790	0.3
76.86174	0.4
170.52832	0.5
175.13957	0.5
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	256.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00349	1.2
58.00605	1.9
59.01388	1.6
60.26701	1.7
64.74736	1.5
72.99310	40.0
73.99647	10.1
75.00876	1.7
87.00890	1.9
93.03482	3.8
94.03771	3.7
107.05041	3.8
108.05357	15.9
120.05424	1.7
124.04016	2.2
134.03304	7.6
148.04913	3.2
149.06177	2.0
150.06415	13.7
163.19545	1.6
163.81992	1.6
165.05592	24.1
166.05910	100.0
167.96368	1.7
179.03505	7.5
180.03877	29.8
193.05080	1.6
194.05440	22.8
212.06493	1.6
226.73019	1.7
255.85333	2.8
256.05481	93.7
256.23666	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	256.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97190	1.0
58.00592	2.1
59.01368	1.9
72.99302	24.4
73.99642	8.5
75.00887	1.4
87.27495	0.9
93.03457	2.0
94.03772	2.1
99.00865	1.5
99.97077	1.0
107.05026	5.9
108.05355	6.8
109.51472	1.4
133.02940	1.6
134.03276	2.5
148.04880	2.2
149.06087	1.9
150.06406	5.0
165.05562	16.9
166.05894	71.6
168.03188	1.1
176.04338	2.0
179.03539	4.4
179.57632	1.1
180.03856	18.8
194.05397	16.2
210.04958	1.2
256.05463	67.8
256.12906	1.3
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	256.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
60.86668	1.0
70.46007	1.1
71.01381	6.4
78.29995	1.0
88.04036	71.0
96.99308	1.9
114.01937	5.9
115.00364	18.5
132.03003	5.7
140.10818	70.8
141.09233	26.7
194.11852	4.2
212.12946	27.3
238.10890	6.4
256.11923	100.0
256.23645	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	256.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	10.7
59.01374	1.1
70.02962	1.0
71.01376	11.5
83.22874	0.5
84.59714	0.5
86.06114	1.0
88.04036	100.0
96.99307	6.0
98.06996	0.5
109.65341	0.4
114.01967	4.2
115.00365	28.2
123.14581	0.5
132.03035	9.6
140.10820	30.2
141.09221	34.7
145.07713	0.5
162.93509	0.4
194.11850	4.6
212.10945	1.0
212.12944	26.5
227.07260	0.5
238.10889	5.6
256.11938	70.0
256.23666	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	256.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49148	0.6
56.98782	0.5
57.03442	5.1
58.02964	3.8
153.11610	1.0
153.12846	29.4
158.82320	0.8
184.17036	1.4
194.15503	16.0
195.13884	3.6
198.15027	1.1
210.15019	3.6
212.16594	47.1
223.13437	1.2
239.12935	1.2
256.15567	100.0
256.23648	39.8
256.25873	1.0
276.23181	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1918
Annotation	N-Lauroylglycine
Peak:m/z	Relative Intensity
66.46616	1.0
88.92246	1.1
152.49739	1.3
165.36671	1.2
195.17567	30.2
238.18137	6.6
239.14178	2.1
239.16544	34.7
256.19266	95.2
256.23605	100.0
257.17575	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	256.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89966	0.4
52.71558	0.5
74.02468	100.0
80.31356	0.5
96.06985	0.5
110.26589	0.5
129.98590	0.6
143.48033	0.7
163.96942	0.6
212.20261	6.3
232.62169	0.6
256.19202	54.2
256.23297	9.8
271.88519	0.6
272.47198	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0781
Annotation	Spongothymidine
Peak:m/z	Relative Intensity
51.55907	2.7
56.44910	2.3
59.01374	10.2
73.17902	2.5
79.42303	2.4
80.05066	5.8
87.00857	2.7
89.32616	3.2
94.02975	3.4
96.04525	5.7
99.01963	3.9
100.02269	28.3
104.46281	2.9
109.01703	3.8
110.02486	4.2
110.06071	3.5
111.01985	6.3
112.04039	56.8
114.97755	3.2
124.01514	3.5
124.03221	4.7
124.04034	78.4
125.03543	60.2
126.90501	13.9
127.08757	11.3
132.03027	3.0
134.73390	3.0
135.05576	4.8
136.04051	10.2
140.26480	2.5
142.02583	22.7
142.05093	3.4
144.01263	18.7
148.96529	3.1
158.16846	2.5
167.04617	45.1
167.49742	2.6
169.09802	10.9
171.07774	5.2
171.11418	10.8
179.08305	4.7
213.07008	15.6
213.08791	17.5
214.07210	61.7
257.08066	100.0
257.10739	13.7
257.23972	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	257.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.2
59.01384	1.3
69.03452	1.4
72.96552	0.9
82.31107	0.9
85.02952	4.5
97.06583	3.8
98.02459	1.2
102.87274	0.9
118.81413	1.0
151.11285	38.0
158.71564	0.9
169.06601	1.3
169.12343	100.0
171.10248	14.4
185.11768	1.4
195.10278	5.0
213.11348	45.2
221.11797	1.2
239.12976	1.5
241.98683	1.1
257.10349	13.7
257.13998	1.7
257.23859	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	257.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41402	0.3
55.01883	0.8
55.88472	0.3
57.03450	5.0
59.01380	0.8
65.16747	0.4
69.03449	2.7
71.01379	5.2
71.05020	20.1
71.05628	0.5
73.02919	0.4
83.05024	1.6
92.23217	0.4
95.05070	0.4
96.68163	0.4
97.02934	1.8
97.06591	10.0
99.00874	8.9
100.01694	1.5
109.06595	0.9
115.25825	0.4
123.08155	6.8
125.09718	100.0
130.25307	0.4
137.09727	0.6
145.10211	0.6
153.09225	8.2
153.12836	5.5
161.09708	1.5
163.11293	35.0
179.10767	4.6
181.12352	56.2
185.11902	0.9
195.13873	1.6
207.10280	13.8
207.60004	0.4
211.13445	0.6
213.14986	2.9
221.11812	0.6
225.11346	35.8
239.12914	6.3
239.20673	0.4
257.13977	93.4
257.23749	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	257.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73166	0.7
53.27934	0.7
59.01387	19.2
60.28908	0.7
63.08321	0.7
76.96526	0.8
79.52172	0.8
91.12840	0.8
92.22559	1.0
101.64310	0.9
169.12325	5.9
195.13918	32.9
197.11852	100.0
201.48573	0.9
213.14963	7.5
221.11848	6.2
234.50255	0.9
239.12871	13.2
257.04874	3.8
257.13968	61.3
257.23917	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	257.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04214	0.8
53.25942	0.8
53.85804	0.9
56.90100	0.8
57.74100	0.7
65.93179	0.8
72.00899	1.7
84.04545	42.7
86.02473	4.8
98.06095	11.0
99.00885	10.7
112.04046	18.3
113.87216	0.9
114.01987	1.2
114.09235	43.8
142.05093	100.0
158.04552	1.2
160.06075	1.1
213.14944	2.0
215.13893	2.0
257.15140	18.9
257.23941	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	257.2124
Annotation	15-Hydroxypentadecanoic acid
Peak:m/z	Relative Intensity
51.05456	0.2
62.60292	0.2
64.96947	0.2
67.13969	0.2
67.89062	0.3
92.22794	1.0
116.92860	2.3
148.57628	0.3
181.31064	0.3
197.06502	0.3
201.60443	0.4
206.09663	0.3
209.19083	2.7
211.20695	78.3
239.20128	2.1
255.19675	0.6
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
50.46540	1.4
50.95306	1.3
51.97701	1.6
52.15379	1.5
61.48950	1.8
71.58645	1.7
71.88939	1.7
80.93000	1.5
107.51204	1.7
116.92861	12.2
141.86911	1.6
209.19345	2.3
211.20683	81.1
223.78217	2.0
226.75638	1.7
228.24416	2.3
249.64825	2.1
257.21280	100.0
257.23941	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	258.0554
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02952	0.5
71.01394	0.5
74.02451	1.3
74.43425	0.5
83.02505	14.4
84.04529	0.5
88.04036	11.8
98.03594	46.6
110.03593	52.3
113.33920	0.5
126.70335	0.5
126.99715	6.3
130.08720	2.7
137.32933	0.5
139.92053	0.5
140.04665	100.0
143.11958	0.6
144.02370	76.2
145.86618	0.6
152.04652	43.9
157.06172	0.9
157.13489	3.3
169.09790	3.8
172.00790	0.9
181.94119	0.6
182.05786	0.7
186.03421	41.0
196.14531	0.8
199.01799	2.5
212.06784	21.3
218.54982	0.6
224.06781	10.3
258.05585	1.1
258.09912	2.5
258.14563	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	258.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33763	0.8
51.57608	0.9
65.11565	0.9
67.47536	0.9
69.82880	0.9
71.01378	11.4
72.91591	0.9
88.04035	93.1
92.22522	1.1
95.74402	1.1
96.99315	6.2
108.53638	0.9
114.01959	5.4
115.00362	25.6
132.03041	6.7
142.12373	83.6
143.10779	32.9
144.88658	1.2
154.27010	1.0
159.98778	1.1
164.59596	1.0
168.14015	2.0
195.13885	1.3
196.13483	5.5
211.23302	1.0
212.16585	10.9
214.14500	33.0
240.12488	4.8
258.13474	100.0
258.17062	20.1
270.07419	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	258.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
61.90505	0.6
71.01375	11.5
78.60892	0.7
88.04037	36.7
96.99316	5.1
111.59219	0.6
114.99606	1.3
115.00356	27.3
115.38776	0.8
132.23686	0.7
139.10403	0.7
142.12372	100.0
143.10786	18.2
168.14014	0.9
170.15472	1.5
196.13428	3.8
198.34941	0.8
214.14497	35.2
240.12453	5.6
246.16737	0.7
246.49480	0.7
258.13461	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	258.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02967	1.2
71.01372	13.1
88.04032	100.0
88.07835	0.8
96.99283	6.9
101.94254	0.8
113.02972	0.8
114.01962	3.4
114.14629	1.1
115.00359	24.9
132.03021	5.5
142.12370	83.8
143.10783	29.3
196.13400	3.3
214.14517	31.9
240.12486	3.9
258.13467	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	258.1459
Annotation	Leu-Ala-Gly
Peak:m/z	Relative Intensity
72.04876	1.0
73.44912	1.0
79.25262	1.0
83.06139	2.2
97.07706	2.5
112.07675	1.1
127.05136	22.3
128.03500	2.1
129.10336	30.8
130.08730	40.5
144.11426	2.5
145.06169	8.4
145.09821	4.1
152.07169	6.1
155.11916	2.2
196.14552	46.9
197.16667	1.5
211.83633	1.1
214.15639	6.2
214.19276	32.9
222.12503	2.5
240.13539	19.6
258.12457	2.2
258.14600	76.3
258.18222	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.146
Annotation	Leu-Ala-Gly
Peak:m/z	Relative Intensity
50.02504	0.4
57.07810	0.5
57.63827	0.5
58.02979	4.5
63.41600	0.5
65.62440	0.5
70.02976	6.1
74.02464	8.3
78.59245	0.5
82.02970	0.6
87.00858	0.6
87.05638	3.2
88.04041	6.4
98.02445	0.7
101.07190	2.7
114.09216	0.7
120.01188	0.6
127.05111	3.1
129.10326	0.8
130.08734	53.9
141.10327	3.4
143.11903	12.6
155.11893	3.3
159.29974	0.6
169.09798	1.3
183.11375	3.2
191.81664	0.7
195.88187	0.8
196.14580	12.3
197.12970	12.1
214.15614	8.4
241.11922	3.7
258.14590	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	258.171
Annotation	L-Hexanoylcarnitine
Peak:m/z	Relative Intensity
50.46349	0.4
55.28270	0.5
56.52178	0.5
61.54089	0.5
80.34642	0.4
88.04009	1.2
90.23902	0.4
115.30633	0.5
127.62498	0.6
142.12363	1.1
156.37761	0.7
167.14363	1.1
181.49738	0.6
184.17038	8.6
194.15491	7.2
195.13890	8.8
197.15475	4.2
198.39449	0.5
212.16579	48.1
258.17105	100.0
261.73965	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1822
Annotation	Lys Leu
Peak:m/z	Relative Intensity
55.10763	0.6
59.63052	0.6
61.58433	0.7
64.84683	0.7
69.15755	0.6
72.93558	0.7
82.06652	0.8
83.06158	1.7
88.04039	1.5
97.07706	3.2
99.09249	1.0
114.05592	1.1
127.05106	12.7
127.08706	1.1
128.03529	3.0
129.10332	18.7
130.08728	23.6
133.85201	0.8
135.28661	0.8
144.11404	1.8
145.06210	5.6
145.09781	6.3
152.07176	4.6
168.43274	0.7
196.14560	25.4
197.16528	3.2
214.15819	1.2
214.19244	35.0
218.00331	0.8
222.12405	1.6
240.13570	13.4
258.03714	0.8
258.14584	35.6
258.18207	100.0
258.69464	0.7
278.73227	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47631	0.3
53.50941	0.3
71.05016	5.5
71.28314	0.4
78.95908	1.0
83.05040	0.6
92.53645	0.4
97.05602	0.4
98.00101	0.9
109.07642	0.4
110.37896	0.4
111.08155	0.5
125.09756	0.5
151.11276	0.9
153.12856	58.4
169.12361	5.7
179.10815	0.7
197.11853	67.0
215.12904	33.0
223.13437	1.0
241.10835	94.4
259.11884	100.0
271.93353	0.5
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
59.01376	2.3
75.00867	5.9
75.23208	1.5
77.60945	1.3
78.95905	8.2
85.42590	1.4
96.96958	2.2
119.27714	1.4
125.09706	1.8
127.11261	2.0
130.05077	1.9
155.10771	6.3
161.09851	1.4
169.12355	9.4
171.10260	45.2
171.66512	2.1
178.41461	1.9
179.10817	2.8
183.10297	2.4
187.11757	1.8
197.11844	100.0
201.11340	9.9
211.75224	1.4
213.11320	7.4
215.12903	59.1
217.10811	2.0
223.09738	2.9
223.36267	1.5
241.10744	2.4
241.14537	1.4
259.02322	1.7
259.11902	20.7
259.15515	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	259.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.3
75.00867	5.9
75.23208	1.5
77.60945	1.3
78.95905	8.2
85.42590	1.4
96.96958	2.2
119.27714	1.4
125.09706	1.8
127.11261	2.0
130.05077	1.9
155.10771	6.3
161.09851	1.4
169.12355	9.4
171.10260	45.2
171.66512	2.1
178.41461	1.9
179.10817	2.8
183.10297	2.4
187.11757	1.8
197.11844	100.0
201.11340	9.9
211.75224	1.4
213.11320	7.4
215.12903	59.1
217.10811	2.0
223.09738	2.9
223.36267	1.5
241.10744	2.4
241.14537	1.4
259.02322	1.7
259.11902	20.7
259.15515	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	259.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	7.4
59.01390	0.3
64.86331	0.3
67.52432	0.2
69.03452	22.9
71.05049	0.3
78.95910	1.7
85.02943	0.7
87.04525	3.0
98.02494	0.4
125.09692	1.4
127.11237	2.4
146.01225	0.3
149.80373	0.4
171.10271	67.7
183.13876	0.7
195.13882	0.7
199.13464	0.4
201.11378	1.3
210.42969	0.3
211.13406	5.2
223.13353	3.9
229.14479	3.0
241.14481	1.4
252.24916	0.3
259.15515	100.0
268.74982	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30217	0.4
55.12791	0.4
57.03440	0.3
58.92418	0.3
59.01379	7.4
72.92949	0.5
78.95898	0.8
83.06551	0.5
97.06635	0.5
126.52794	0.4
161.13382	0.9
169.12337	7.7
171.10284	0.5
177.30602	0.5
179.14433	0.5
181.12337	9.4
183.13876	0.7
193.12317	1.8
197.11899	1.0
199.13397	15.1
199.15077	0.7
201.11330	0.5
205.12381	2.2
211.13425	8.7
215.12941	0.7
223.13403	6.3
227.12839	0.8
229.14522	0.8
241.14490	5.1
259.15512	100.0
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	Unknow
Peak:m/z	Relative Intensity
54.53670	1.1
58.02975	17.7
59.01371	1.6
63.29637	1.1
70.02962	1.5
72.04548	1.8
74.02467	39.7
79.51220	1.0
82.94920	1.0
83.18036	1.1
84.04545	13.4
86.02465	1.6
92.05045	6.8
98.02475	13.1
110.02466	2.3
116.03539	19.5
128.03535	24.5
130.06564	1.3
131.03749	31.5
132.04549	58.2
135.77960	1.3
136.99144	1.3
140.05028	1.9
144.04543	14.1
146.06105	2.6
147.05708	1.7
157.07710	31.2
158.06094	29.1
175.08762	38.6
189.06650	2.3
192.70750	1.3
196.11903	1.3
199.08786	6.8
201.06674	11.0
203.35356	1.2
217.09807	7.2
219.07759	30.9
219.45715	1.2
243.07744	2.8
261.08813	100.0
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
58.00591	0.7
59.01101	0.6
59.01381	12.3
61.98832	6.3
63.10547	0.4
66.81236	0.4
71.01374	0.5
74.02504	0.4
77.56973	0.4
79.51228	0.3
99.00865	2.1
121.36050	0.4
125.09711	4.1
127.11300	3.4
139.11311	0.8
150.02721	0.5
150.39801	0.4
155.10779	2.6
165.09193	2.2
171.10280	2.8
181.12343	4.3
183.10242	1.7
190.97224	0.4
199.09767	2.6
199.13437	9.5
201.11340	100.0
207.10268	4.9
211.46503	0.5
217.14474	1.7
225.11342	17.3
243.12375	15.2
261.13443	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	261.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03148	0.7
51.41748	0.9
52.96760	1.0
53.29537	0.9
53.92637	0.8
54.69957	0.7
57.43021	0.9
62.55670	1.0
72.99288	1.6
75.00858	9.2
85.90203	1.1
87.00875	1.3
89.02426	1.7
97.06582	5.5
123.08135	1.8
125.09716	100.0
156.53136	1.0
169.08740	5.3
171.10345	1.9
185.11848	5.2
187.09769	95.8
224.77707	1.1
261.13443	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	261.1343
Annotation	Triethylene glycol diglycidyl ether
Peak:m/z	Relative Intensity
52.30192	0.3
54.26854	0.3
57.03439	0.8
59.28634	0.4
71.01386	0.5
75.73161	0.4
88.86099	0.4
91.03994	1.8
92.23178	0.9
93.33116	0.4
97.06584	5.7
123.08148	1.0
125.09710	100.0
127.32925	0.5
143.10762	1.8
169.08678	5.6
187.09763	97.5
215.36595	0.5
233.77577	0.4
244.38321	0.5
261.13431	38.7
262.12936	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1343
Annotation	Triethylene glycol diglycidyl ether
Peak:m/z	Relative Intensity
52.81723	0.5
56.65026	0.6
57.03468	0.9
58.02964	0.6
59.01382	22.6
60.05732	0.6
62.48877	0.6
74.02457	3.3
78.26196	0.5
79.87871	0.6
83.05013	1.4
85.02943	17.7
92.23045	1.0
97.06577	27.6
98.02440	0.9
99.08166	3.5
116.03536	1.2
127.03991	0.9
127.11216	0.9
128.03546	1.5
131.03767	1.3
132.04529	3.1
137.09651	0.6
138.51428	0.8
139.11215	0.9
143.07124	4.0
155.08295	0.9
157.12354	0.9
158.06053	1.2
165.59651	0.8
175.08733	1.3
181.08775	1.1
181.12274	2.7
183.10240	1.2
199.13423	21.4
201.11336	100.0
243.12366	6.1
261.08774	4.9
261.13428	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	262.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
60.20852	1.0
71.01407	0.8
74.44401	1.0
83.20589	1.0
83.83531	0.9
87.00862	1.1
91.59811	0.9
109.32880	1.0
116.05023	5.3
128.05029	1.9
130.06621	6.6
133.06970	1.2
133.83989	1.0
154.06598	1.2
156.07021	1.9
156.08189	31.1
157.05305	1.7
158.06125	4.6
172.06255	2.0
172.07697	47.5
174.05611	5.7
192.30510	1.1
200.07164	29.9
202.05115	72.5
218.08211	4.5
244.06195	2.0
262.07211	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.112
Annotation	7-Mercaptoheptanoylthreonine
Peak:m/z	Relative Intensity
61.17102	0.3
84.04529	1.2
87.02731	1.3
96.22165	0.3
100.32011	0.3
114.46185	0.3
121.68926	0.3
131.05385	1.7
133.06929	100.0
153.63232	0.3
155.48198	0.3
181.48868	0.3
262.11163	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	262.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23550	0.2
50.84573	0.2
52.39887	0.2
52.99755	0.2
58.61958	0.2
59.01380	0.5
69.22627	0.2
71.01385	0.4
73.02931	1.6
74.02490	1.2
76.01035	0.2
80.31753	0.2
87.92531	0.5
101.02438	13.7
103.92020	1.1
104.92803	1.1
110.09737	1.5
112.04038	0.5
115.07615	0.5
116.03508	0.3
128.03571	0.4
130.08731	100.0
131.03520	1.0
133.04904	0.4
145.96774	0.4
152.10793	0.4
159.06439	0.4
161.96136	0.4
172.09822	3.2
189.76974	0.3
199.94160	0.6
202.10849	3.4
214.10826	0.3
226.10855	1.6
249.15727	0.2
261.94196	0.9
262.09192	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	78.7
59.55368	0.6
71.01382	8.9
73.02943	3.1
73.04060	1.6
78.04559	0.6
80.96521	1.3
83.01373	1.0
85.02962	5.4
89.02435	3.7
91.05538	0.8
101.02430	8.1
101.06081	3.4
108.02120	0.9
109.01710	0.7
109.02897	0.8
113.02452	6.8
115.05076	5.4
115.08737	3.2
119.03484	1.1
121.02951	48.6
131.08643	4.0
133.06570	4.1
145.02997	0.7
147.04550	1.5
147.08215	1.3
157.06593	1.3
159.04482	1.5
160.05307	3.6
161.04527	2.7
161.05949	0.8
164.07153	3.8
173.06090	4.2
175.07645	100.0
189.05540	1.3
192.04297	0.7
219.06642	47.8
263.05658	8.3
263.09732	3.4
263.13986	4.8
272.12155	0.7
279.13159	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60034	0.5
54.51192	0.6
57.18919	0.6
59.01381	100.0
63.87170	0.5
68.72392	0.5
71.01381	5.3
73.02937	2.7
73.04050	1.0
80.96519	0.8
83.56946	0.6
85.02942	1.5
89.02426	1.2
101.02445	5.5
101.06054	0.8
109.01690	0.8
113.02443	3.8
113.32237	0.7
115.05104	1.4
115.08693	0.7
121.02950	8.7
160.32837	0.6
160.75354	0.8
161.04587	1.4
161.36191	0.7
168.36432	0.6
175.07645	16.7
191.10721	0.7
219.06631	7.8
220.10410	0.8
252.26724	0.7
263.05664	1.3
263.10431	3.3
263.13785	0.7
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
52.36807	1.5
55.01878	3.9
57.03450	3.5
58.00605	1.8
59.01382	83.4
71.01379	100.0
71.05014	2.2
73.02942	34.2
75.00871	1.9
75.60352	1.8
83.01389	20.1
85.02943	49.7
87.00870	3.4
87.76708	1.9
89.02437	26.7
95.01387	9.7
97.97623	2.1
99.00867	8.2
101.02438	86.0
101.06071	27.9
113.02446	40.8
113.48863	1.9
119.03500	10.7
119.46497	2.0
121.06939	1.7
124.09683	2.0
137.90047	1.9
143.03494	2.5
146.00563	2.0
146.37825	2.0
159.02997	10.4
161.03377	2.0
161.04573	31.8
240.82845	2.1
241.74577	1.8
263.11472	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	263.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80199	0.7
55.47878	0.7
56.25776	0.6
58.35355	0.7
59.01387	8.9
71.01373	4.9
73.02943	1.1
83.01361	1.1
85.02937	1.9
90.40998	0.7
91.05537	11.0
101.02431	5.0
102.23808	0.9
110.65871	0.8
113.02464	1.9
115.08767	81.0
119.03505	0.8
147.04529	18.8
158.12744	0.8
164.07178	13.4
177.20544	0.9
219.06488	1.0
219.15089	3.4
263.14035	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	8.9
67.65598	0.6
71.01376	8.3
72.54298	0.6
73.02949	2.4
75.00864	1.1
76.01296	0.6
80.00209	0.6
85.02938	3.6
87.60384	0.6
89.02448	3.1
91.05527	14.4
99.00874	0.9
101.02454	6.5
101.06075	1.2
107.70397	0.6
113.02454	3.4
116.07171	41.4
116.08002	1.4
127.08768	25.5
161.04552	3.3
175.07649	0.7
176.24825	0.6
188.99559	0.7
202.12444	6.9
263.14029	100.0
283.05264	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37634	0.6
59.01380	20.7
71.01371	3.1
79.15919	0.6
79.91853	0.6
85.02940	1.2
89.36385	0.6
97.06558	0.8
101.02434	1.5
101.06104	0.7
113.02456	0.7
135.53426	0.6
148.08928	4.1
149.09715	0.9
151.11244	0.8
163.11305	5.3
165.12846	26.1
177.61223	0.6
189.12857	3.2
191.14452	13.1
219.17543	14.2
245.15486	5.5
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	263.2018
Annotation	Heptadecatrienoic acid
Peak:m/z	Relative Intensity
53.11353	0.6
59.01376	6.3
61.58545	0.5
61.77654	0.7
70.37420	0.5
70.49241	0.6
71.01380	7.1
73.02914	1.1
83.01405	0.7
85.02937	3.1
89.02439	1.4
101.02444	6.2
101.06134	0.8
110.60355	0.7
113.02422	3.2
116.59207	0.5
119.03532	0.6
123.36826	0.7
161.04599	1.1
164.99615	0.8
179.51530	0.7
188.94345	0.8
192.17383	0.7
219.17493	0.9
245.19261	0.8
263.20181	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	264.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55699	0.4
57.88142	0.4
59.01368	0.7
67.03017	6.1
68.35561	0.4
80.74728	0.4
93.97740	0.4
94.04102	11.2
95.02518	0.7
102.77921	0.4
108.05682	1.9
124.07677	2.2
125.09711	4.1
136.05121	0.9
149.05937	0.6
151.11293	21.3
151.12389	0.8
168.10307	0.9
178.12363	4.1
195.10356	0.5
202.13568	0.8
203.11919	5.6
220.14534	4.4
222.11382	11.8
228.11316	0.5
237.12404	2.7
246.12521	5.1
264.13556	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	265.0929
Annotation	8-Oxodeoxycoformycin
Peak:m/z	Relative Intensity
52.02684	0.9
54.45182	0.9
58.00591	1.8
59.01380	100.0
62.91206	1.0
71.01377	52.1
83.01378	2.5
85.02943	51.1
87.00883	1.4
89.02437	83.8
90.90620	1.2
95.01373	2.7
101.02439	30.1
108.33712	1.1
113.02454	23.4
119.03492	38.2
130.82782	1.2
131.03516	2.2
143.03485	2.8
149.04524	1.8
149.32057	1.3
161.04518	5.0
164.50108	1.2
165.56819	1.0
179.05630	11.5
184.85236	1.3
231.53110	1.3
242.45435	1.1
265.09308	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	265.1193
Annotation	gamma-Glutamyltyramine
Peak:m/z	Relative Intensity
59.01370	3.8
73.04063	100.0
73.95818	0.8
79.50357	0.8
91.05527	4.5
92.22469	1.0
101.02425	1.1
147.04520	26.1
164.07176	65.3
175.04073	0.9
177.10387	4.1
221.09322	98.3
236.45462	1.0
265.11945	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1195
Annotation	Phe Thr
Peak:m/z	Relative Intensity
50.60582	0.7
55.66650	0.7
58.83248	0.7
59.01386	30.5
67.60973	0.8
71.01376	15.1
73.02951	0.9
74.02470	23.0
83.02522	1.3
85.02956	16.3
85.04064	34.9
89.02441	21.5
91.05527	15.2
101.02441	9.4
101.06060	1.7
111.02003	15.6
111.05629	1.0
113.02429	5.9
116.74978	0.9
119.03487	9.5
137.25629	0.9
143.03433	1.0
160.07674	8.6
164.07155	1.8
164.97559	0.8
174.52394	1.0
175.08746	4.9
179.05647	1.7
191.05684	1.6
203.08299	5.0
221.09326	100.0
265.09253	11.2
265.11966	29.8
273.71777	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.9
57.03429	2.0
59.01379	39.8
60.04625	1.6
61.68766	1.5
62.12139	1.8
65.58791	1.6
71.01381	51.5
73.02953	27.3
73.04068	100.0
73.04480	3.9
77.06198	1.7
83.01385	8.5
85.02965	25.1
87.00864	2.4
88.04007	1.9
89.02435	8.3
91.05528	2.3
95.01400	3.4
99.00867	3.4
101.02444	49.8
113.02435	21.8
119.03519	2.2
147.04558	22.4
147.05540	2.8
159.02985	3.1
161.04588	26.2
164.07178	67.7
177.10295	3.3
207.02286	2.0
221.09334	93.7
265.12024	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.148
Annotation	Val Phe
Peak:m/z	Relative Intensity
58.53197	0.3
62.90934	0.4
63.73774	0.4
82.43501	0.4
89.89295	0.4
91.77934	0.4
96.96002	72.2
117.95419	0.4
265.14801	100.0
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
56.26863	1.8
59.01369	3.1
60.45539	1.9
60.82568	1.7
66.36459	1.8
78.95906	43.6
79.93588	2.1
96.96005	16.1
101.17441	2.0
101.26744	1.9
107.05051	2.1
121.10212	2.2
121.30109	2.1
128.87340	2.0
143.07132	4.4
146.57553	2.0
164.11552	2.4
167.10747	9.8
177.12839	11.5
201.09023	2.3
203.10799	14.5
221.11844	8.2
237.15062	3.7
247.13522	14.7
247.17075	8.8
265.14993	17.1
265.18091	100.0
277.23788	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	265.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33534	0.6
59.01383	1.5
78.95907	21.5
96.95991	1.3
109.06544	1.8
136.94421	0.9
155.10786	46.0
162.16316	0.9
177.12843	4.0
178.07344	0.8
183.10297	11.6
203.10831	3.4
221.11902	1.1
237.18665	1.5
247.13371	4.9
247.17021	10.8
265.18118	100.0
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
57.33534	0.6
59.01383	1.5
78.95907	21.5
96.95991	1.3
109.06544	1.8
136.94421	0.9
155.10786	46.0
162.16316	0.9
177.12843	4.0
178.07344	0.8
183.10297	11.6
203.10831	3.4
221.11902	1.1
237.18665	1.5
247.13371	4.9
247.17021	10.8
265.18118	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
59.18040	1.2
62.16186	1.1
78.62369	1.2
96.95998	11.3
109.95904	1.4
151.36241	1.3
192.60925	1.3
230.00925	1.4
248.62204	1.3
265.12198	2.1
265.14801	20.4
265.21753	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	265.2174
Annotation	Hydroprene
Peak:m/z	Relative Intensity
57.23186	0.9
60.16634	0.8
60.22977	0.8
61.30217	0.7
79.72079	1.0
80.10918	0.9
82.99628	0.9
96.95996	1.0
101.22993	0.9
103.93795	0.9
114.54572	0.9
128.87131	1.0
156.54410	1.0
244.39848	1.0
265.21744	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26977	0.7
59.01376	5.7
59.16288	0.7
65.68478	0.7
69.65853	0.9
71.01366	1.1
89.02439	1.2
90.35069	0.8
95.73283	0.9
107.03674	1.1
108.02032	1.6
109.10359	0.8
126.03066	3.9
127.74693	0.9
133.01555	13.3
149.03441	1.0
150.04210	100.0
162.72382	0.8
176.05795	11.8
181.72850	0.9
266.08960	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	267.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.4
77.83224	0.2
86.06762	0.2
88.20624	0.2
91.01883	0.4
106.13892	0.3
123.42889	0.3
124.43492	0.3
129.12825	0.3
132.02177	1.4
135.00861	0.3
195.04526	1.6
208.05313	1.3
223.04030	4.6
224.04805	1.9
251.03517	4.1
252.04298	100.0
267.06647	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	267.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
62.38675	0.5
66.74117	0.5
83.74151	0.5
109.04510	0.5
111.28122	0.5
130.07301	0.5
132.02138	1.2
135.00871	0.6
147.26797	0.5
150.02350	0.6
159.24937	0.5
195.04544	0.7
202.83107	0.5
208.05278	1.1
223.04071	4.7
224.04796	1.1
251.03514	3.7
252.04294	100.0
267.06644	74.1
267.42548	0.5
286.41135	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0664
Annotation	Formononetin
Peak:m/z	Relative Intensity
51.59475	0.4
54.71871	0.5
60.08311	0.5
69.31089	0.6
75.81931	0.5
84.36918	0.5
92.19032	0.6
112.35815	0.7
132.02170	1.1
195.04497	0.7
215.78610	0.7
223.03998	4.5
224.04820	0.7
251.03488	3.0
252.04286	100.0
255.85419	0.7
267.06644	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	267.0722
Annotation	2-O-(alpha-D-Glucopyranosyl)-D-glycerate
Peak:m/z	Relative Intensity
57.03418	1.1
59.01381	16.4
71.01370	19.6
72.99300	1.7
75.00864	12.6
76.23827	0.8
78.71291	0.8
85.02944	22.5
87.00864	16.6
89.02445	8.0
95.01398	4.5
96.95997	21.0
99.00855	6.5
101.02419	1.8
105.01937	3.2
113.02435	39.9
115.00349	1.5
117.01940	1.9
129.01952	1.5
136.58926	0.9
249.06093	1.8
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	267.072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.4
57.03437	1.9
59.01381	30.6
69.03461	0.5
71.01376	20.9
72.99290	2.5
75.00867	11.3
75.83164	0.4
83.01337	0.5
85.02943	22.5
87.00860	10.2
89.02441	9.7
91.04026	0.7
92.22502	0.6
95.01385	3.6
99.00864	9.0
101.02431	0.9
103.00354	2.5
112.01659	0.9
113.02442	39.8
114.32172	0.4
115.00335	2.0
117.01910	2.5
126.56168	0.4
129.01898	2.6
133.02936	1.7
134.03703	1.0
136.34251	0.4
149.04605	0.6
149.06071	0.8
157.01384	1.8
160.01689	0.8
175.02454	2.1
175.03941	3.3
175.05168	0.4
177.01909	0.8
191.11240	0.4
193.05014	1.6
205.63286	0.5
207.05046	2.2
241.51335	0.5
249.06104	4.6
252.06506	4.1
267.07156	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51738	0.6
56.40366	0.4
59.01381	100.0
59.55636	0.5
60.19114	0.5
62.24168	0.5
71.01369	3.0
75.00848	0.7
75.64497	0.6
80.03771	1.1
81.04575	1.5
85.02944	1.3
87.00865	1.0
101.02422	1.0
105.04504	0.7
108.05680	1.4
110.07222	1.2
113.02422	3.0
130.08734	8.2
141.10243	0.7
206.12949	1.3
207.08783	4.4
209.66965	0.6
223.15620	3.2
237.08830	1.2
245.75128	0.6
267.07233	8.4
267.09860	1.4
267.14609	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	267.1087
Annotation	Deoxycoformycin
Peak:m/z	Relative Intensity
59.01383	100.0
71.01371	4.9
71.38715	0.6
73.02953	2.8
75.00880	1.0
85.02950	4.3
87.00855	0.9
89.02437	4.9
99.00909	0.6
101.02435	6.2
113.02454	5.9
151.02641	0.9
161.04539	2.7
188.33478	0.6
201.02693	0.6
207.08711	4.4
210.42824	0.6
214.98215	1.4
226.37794	0.6
240.96147	1.0
266.94580	0.7
267.07190	9.6
267.10867	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	267.1602
Annotation	dihydroartemisinic acid hydroperoxide
Peak:m/z	Relative Intensity
52.98816	0.6
53.85478	0.4
54.95169	0.4
56.10450	0.5
59.01373	7.0
71.53155	0.5
136.60416	0.6
205.15976	14.4
223.17036	100.0
230.98354	0.6
231.13860	1.1
249.15065	6.5
253.17310	0.7
267.16028	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	267.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.1
55.99580	0.7
59.01371	1.1
60.82590	0.7
65.27393	0.8
69.03448	3.9
71.05020	14.2
73.80862	1.0
83.05056	0.9
110.38268	0.9
154.71646	0.9
195.17519	1.2
221.19121	3.9
223.20685	100.0
267.19666	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	267.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	10.4
59.01379	7.4
60.46221	0.7
62.22597	0.7
69.16557	0.8
79.71568	0.8
94.63401	0.9
109.06615	1.6
111.04495	6.9
125.09663	1.0
139.11276	3.8
155.14410	44.4
180.37108	0.9
190.35364	1.2
195.17632	2.0
223.20676	17.7
249.18619	12.1
267.19662	100.0
276.48016	1.0
277.73767	1.0
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
59.01378	5.1
60.57691	0.4
63.01908	0.4
70.38880	0.4
73.15954	0.4
88.84882	0.5
90.54394	0.4
95.05027	0.8
97.06576	11.8
97.38290	0.4
113.09716	2.8
116.70943	0.4
116.94128	0.5
139.45186	0.4
141.05591	0.5
151.11288	10.2
153.12680	0.6
155.14395	0.8
174.19867	0.5
182.76509	0.5
213.70569	0.4
214.24033	0.4
223.20718	5.9
249.18631	5.6
267.19669	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	9.8
59.01381	38.8
63.68140	0.6
64.99926	0.6
80.27883	0.6
96.49976	0.6
125.87440	0.7
169.15976	100.0
195.17520	11.5
223.20691	7.3
267.19666	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	267.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	9.8
59.01381	38.8
63.68140	0.6
64.99926	0.6
80.27883	0.6
96.49976	0.6
125.87440	0.7
169.15976	100.0
195.17520	11.5
223.20691	7.3
267.19666	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	267.233
Annotation	omega-Cyclohexylundecanoic acid
Peak:m/z	Relative Intensity
59.01373	0.9
68.09705	0.5
83.05027	0.6
90.34386	0.5
111.89137	0.5
124.05790	0.5
197.98445	0.5
267.23300	100.0
289.38416	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.233
Annotation	omega-Cyclohexylundecanoic acid
Peak:m/z	Relative Intensity
51.54694	0.3
59.01385	0.7
76.88968	0.4
78.13709	0.4
80.56841	0.5
177.33649	0.4
248.88243	0.4
267.23312	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	267.2331
Annotation	9E-Heptadecenoic acid
Peak:m/z	Relative Intensity
53.40078	0.4
54.85123	0.4
59.01400	0.8
61.47826	0.4
61.69175	0.4
62.34245	0.4
74.46004	0.4
77.87268	0.4
80.06441	0.4
82.04153	0.5
85.81092	0.5
92.22505	0.5
94.18006	0.4
103.30068	0.4
106.04131	0.5
122.45563	0.4
191.09698	0.5
214.39148	0.4
245.45119	0.5
267.23312	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	267.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77452	1.8
51.86524	1.7
57.99268	1.7
59.01389	2.7
60.05622	1.7
66.53546	1.8
67.63581	2.0
75.61916	1.8
92.22558	2.9
93.15617	1.8
154.42120	2.3
267.09998	2.6
267.23303	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	268.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.9
58.02972	1.4
59.01362	1.0
62.70590	0.6
72.50321	0.6
75.76055	0.7
99.08150	0.9
107.23251	0.7
113.09787	0.9
117.98592	0.7
129.09692	0.6
136.72839	0.8
207.17548	24.2
224.20158	6.3
236.47820	0.9
238.17960	0.8
250.18135	1.8
251.16524	23.6
268.19199	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0458
Annotation	3,7,4'-Trihydroxyflavone
Peak:m/z	Relative Intensity
50.90755	0.4
83.95951	0.5
107.01368	0.7
108.02164	1.9
109.54334	0.5
125.09756	0.7
133.02940	2.1
141.21089	0.5
161.02357	0.5
175.03914	0.7
175.32481	0.4
180.73691	0.5
181.06546	1.0
181.15947	0.8
183.04372	0.6
194.17667	0.5
224.04802	0.5
225.05557	1.6
225.14970	35.7
237.05522	0.7
251.12784	3.5
254.05800	0.7
269.04593	100.0
269.08023	7.5
269.13904	10.7
269.21283	7.3
269.24857	3.5
274.67206	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0457
Annotation	3,7,4'-Trihydroxyflavone
Peak:m/z	Relative Intensity
59.01369	0.5
61.29318	0.5
63.02383	0.6
71.01385	0.5
83.05059	0.5
122.71358	0.5
133.02956	1.1
140.80359	0.6
153.96811	0.5
163.24590	0.5
169.12355	0.5
181.06631	0.9
181.12151	0.6
192.85175	0.5
197.05992	0.5
197.11833	11.8
201.05559	1.1
201.62021	0.5
209.11839	3.0
225.05623	0.7
236.24680	0.6
269.04590	100.0
269.13776	1.6
269.21317	8.3
269.24490	5.3
273.37207	0.6
284.52261	0.5
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
50.73271	0.5
55.78492	0.5
75.71664	0.5
77.03974	0.7
79.01889	1.4
86.67885	0.5
91.79595	0.6
93.32890	0.6
97.02949	2.8
121.02958	5.6
130.25043	0.6
141.89798	0.6
159.08197	0.6
165.01935	8.5
171.04494	0.9
178.02757	1.2
183.08136	3.3
191.03397	0.6
201.09465	0.7
225.09212	4.9
227.07152	10.2
241.08667	2.5
269.08206	100.0
269.17807	1.3
269.21246	9.1
269.24893	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
54.77593	1.0
55.01880	11.0
57.03441	7.2
59.01382	71.4
68.66718	1.1
71.01379	92.2
72.99297	1.9
73.02943	50.4
74.42348	1.1
75.00883	2.6
82.04099	11.1
83.01381	22.9
83.92908	1.1
85.02943	62.0
87.00862	2.8
89.02438	6.4
93.11591	1.1
95.01395	10.1
99.00880	15.0
101.02438	100.0
113.02441	46.6
116.33056	1.4
125.02454	2.7
129.01932	2.9
135.04535	1.4
137.02478	1.4
143.03421	1.4
159.02979	8.3
161.03343	1.7
161.04570	31.2
185.73376	1.3
269.10394	23.4
269.21167	5.5
269.24930	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	269.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51598	0.3
62.74876	0.3
67.02455	0.3
86.24669	0.3
93.52586	0.3
101.29718	0.3
110.89688	0.4
120.04537	2.0
150.09190	0.4
204.57584	0.3
213.10556	0.3
225.10284	1.7
226.12431	1.6
239.08221	2.5
241.13446	4.7
251.11856	0.6
253.09837	0.8
254.10625	11.1
269.12976	100.0
269.21225	4.5
269.24854	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	269.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.1
59.01384	100.0
69.11154	0.9
99.04499	1.9
139.73326	0.9
165.12833	15.3
189.12900	1.0
207.13899	16.9
209.11848	23.0
225.14940	11.5
251.12973	9.2
269.13968	94.9
269.21268	1.8
269.24875	1.5
276.91525	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20161	0.8
55.65462	1.0
59.01373	1.2
69.10342	1.1
92.22516	1.4
97.95524	1.0
193.15967	9.6
207.17551	100.0
225.18607	88.7
248.69624	1.1
251.20154	5.6
269.14658	2.1
269.17596	61.8
269.21210	60.2
269.24777	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	269.176
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83073	0.8
59.01372	1.5
68.73298	0.9
69.22914	0.9
72.82893	1.1
85.06581	5.1
91.54892	0.9
97.06574	16.0
125.09701	5.1
127.11259	1.7
127.53564	1.0
139.11284	1.6
151.11272	1.2
153.09184	1.4
155.10777	5.4
171.10272	91.4
183.10297	9.7
185.11856	20.0
188.02902	1.1
192.62373	1.1
201.11327	15.5
211.13443	1.9
225.22151	1.3
241.04443	1.2
251.16582	29.4
269.04147	26.8
269.17599	100.0
269.21146	17.8
269.24863	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	269.2122
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
57.03417	0.8
59.01369	1.9
79.95740	0.8
83.05013	1.2
132.05551	0.8
153.97627	0.9
183.74655	0.8
197.19133	1.4
225.22247	8.0
233.36905	0.8
242.10344	1.2
251.20093	1.2
269.21234	100.0
269.24707	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	269.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78798	1.7
57.04781	1.5
59.01375	4.4
61.46980	1.7
82.14000	1.7
86.55166	2.0
88.41913	1.9
94.86858	1.7
113.06049	11.4
155.14401	2.9
164.04953	1.8
170.77898	1.8
269.21237	100.0
269.24774	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	269.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64614	1.1
59.01366	1.4
60.67928	1.6
63.58311	1.3
82.04102	1.8
169.17821	1.7
201.48802	1.6
207.48836	1.8
225.22244	3.3
242.10599	2.9
269.21240	65.9
269.24854	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	269.2487
Annotation	Margaric acid
Peak:m/z	Relative Intensity
54.55136	0.1
58.58005	0.2
60.67169	0.2
77.73283	0.2
106.04111	0.2
167.27846	0.2
181.05083	0.2
195.65324	0.2
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	269.2488
Annotation	Margaric acid
Peak:m/z	Relative Intensity
50.18295	0.4
73.25768	0.5
81.26822	0.4
81.61846	0.5
90.52409	0.4
96.86999	0.4
119.04896	0.5
194.54846	0.5
202.64149	0.5
265.71680	0.5
269.24878	100.0
280.02356	0.5
288.69055	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.0734
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79648	0.5
54.30478	0.5
59.25709	0.5
65.88061	0.4
72.58702	0.5
82.02988	0.7
86.02473	61.9
95.02505	9.5
97.04052	1.3
107.02526	5.2
109.04073	8.1
114.05602	0.7
122.03591	1.1
123.05663	7.6
124.03992	0.6
124.05125	2.2
133.04083	3.0
150.06723	0.6
151.05145	9.5
166.06223	1.3
167.04593	4.0
176.04646	7.8
194.05727	100.0
270.07272	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	270.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.7
58.02979	1.7
76.04485	1.5
91.74015	1.6
102.97678	1.5
118.91971	1.5
124.95821	1.4
167.14398	23.1
198.18604	3.0
208.17093	17.5
224.16542	1.7
226.18141	32.6
270.17160	100.0
270.21600	7.1
270.24881	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	270.2075
Annotation	Tridecanoylglycine
Peak:m/z	Relative Intensity
50.03104	1.0
77.80018	1.3
161.10345	1.6
209.19109	43.0
252.19724	5.8
253.18051	37.5
270.20767	100.0
270.25281	3.2
271.19202	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	271.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90222	0.5
52.86970	0.4
59.01359	0.6
65.00324	4.2
68.99792	0.6
89.00318	1.2
90.16167	0.6
93.03449	32.5
97.02956	5.0
121.02940	3.3
126.55235	0.6
145.02989	6.0
149.99579	1.4
162.99088	1.4
163.00377	28.4
165.01920	22.3
178.02725	12.5
200.04735	1.5
209.97528	0.7
210.01662	4.6
211.04015	2.4
212.04813	8.4
225.05624	0.8
227.03456	5.3
227.07050	0.7
228.04309	14.4
229.05106	0.9
239.03391	0.9
243.06627	21.4
255.02979	9.5
256.03812	22.3
271.06137	100.0
271.15491	3.6
271.22610	0.7
288.11917	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00326	2.9
67.70703	0.5
72.17375	0.5
89.00323	0.7
93.03452	27.3
97.02944	2.8
111.17506	0.5
118.88607	0.5
121.02961	2.2
127.81104	0.5
145.02959	5.4
149.99568	0.9
156.61668	0.5
163.00381	17.7
165.00610	0.9
165.01929	19.4
178.02707	10.8
185.66246	0.6
190.95709	0.5
197.79961	0.6
200.04802	1.1
210.01695	2.8
211.03989	1.1
212.04822	6.6
227.03510	6.0
228.04268	10.8
243.06618	15.7
253.05058	0.7
255.02974	8.3
256.03775	19.2
256.06335	0.9
267.87772	0.6
271.06143	100.0
290.99356	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0612
Annotation	Naringenin
Peak:m/z	Relative Intensity
53.46775	1.1
53.63655	1.0
54.88848	1.1
59.01363	1.2
63.02402	1.9
65.00320	5.4
65.37836	1.5
68.08403	1.5
69.94191	1.1
75.76292	1.1
83.01395	6.1
93.03450	8.5
95.40532	1.5
104.02460	1.5
105.71258	1.5
107.01372	16.0
117.36726	1.6
119.05012	53.0
139.86250	1.5
147.33815	1.7
151.00357	69.5
165.01924	2.3
169.01501	2.9
177.01935	9.6
211.13394	5.4
227.92226	1.5
253.14392	2.4
259.62164	1.5
271.06168	100.0
271.15543	8.7
271.22809	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	271.0955
Annotation	Unknow
Peak:m/z	Relative Intensity
73.15512	15.6
87.00865	33.3
87.33984	17.7
98.56104	16.0
109.02935	26.6
146.71547	19.5
165.09235	29.0
185.13091	18.1
209.75070	21.4
227.05724	28.0
241.05060	100.0
256.07327	83.9
271.04599	24.5
271.11996	33.5
271.22827	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	271.0955
Annotation	Unknow
Peak:m/z	Relative Intensity
73.15512	15.6
87.00865	33.3
87.33984	17.7
98.56104	16.0
109.02935	26.6
146.71547	19.5
165.09235	29.0
185.13091	18.1
209.75070	21.4
227.05724	28.0
241.05060	100.0
256.07327	83.9
271.04599	24.5
271.11996	33.5
271.22827	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	271.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.0
73.50780	0.6
95.04991	0.8
108.04593	1.1
114.05526	0.8
122.06061	1.0
124.04010	1.5
125.02395	0.9
134.06096	1.8
136.04025	1.2
150.05573	3.2
176.07184	0.9
184.07661	2.8
185.09766	1.6
199.08836	1.8
200.10825	3.6
212.05931	8.5
213.06706	4.9
215.08298	1.7
227.08289	26.4
228.08957	41.7
242.10622	3.0
243.11398	6.7
243.30341	0.8
253.09746	1.0
256.08472	3.5
271.08270	3.6
271.10892	100.0
271.22568	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	271.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18037	0.7
53.41302	0.8
57.03455	0.9
58.00596	4.9
59.01384	14.8
60.82187	0.8
69.03477	1.1
70.08366	0.8
71.43064	0.7
73.02948	1.8
83.05003	1.9
97.06578	13.3
97.94442	0.9
109.06567	2.1
111.04489	1.0
111.07430	1.8
111.08156	36.1
112.75721	0.9
113.06088	9.9
115.04005	1.2
121.06588	3.6
125.06013	1.4
127.07633	4.4
135.08154	4.9
137.06093	4.0
139.07658	6.9
140.77460	0.9
141.05586	11.6
143.07112	3.9
151.00308	1.0
155.07138	11.9
171.12059	1.0
173.13359	3.8
191.14484	1.1
227.12828	1.4
241.04984	1.2
253.10818	1.2
253.14496	4.6
271.05991	2.1
271.15527	100.0
271.22742	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	271.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79059	1.0
52.26659	1.1
57.03424	1.3
57.71544	1.0
58.02974	1.6
59.01389	17.8
64.19862	1.1
64.96390	1.3
68.72266	1.1
71.01369	10.6
71.04980	2.9
81.03429	1.2
82.69037	1.2
83.05002	1.5
85.02907	1.9
97.06550	2.6
99.08106	2.5
109.02948	27.2
109.06524	2.4
111.04443	8.6
111.08145	16.1
113.42072	1.5
115.03952	3.0
121.06555	2.4
123.00815	1.6
127.07536	2.1
130.08734	63.5
135.00871	1.7
136.01591	1.3
139.07564	6.0
140.07079	8.0
155.07155	22.0
163.00282	4.9
173.08093	2.1
178.31209	1.2
181.12198	1.2
185.16597	66.0
191.14365	1.6
197.11685	2.1
218.84802	1.3
227.17500	2.4
229.15309	5.7
235.13339	2.5
243.06651	27.7
265.05649	1.4
271.06232	15.0
271.15601	100.0
271.22748	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	271.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00610	6.7
59.01377	10.9
67.00900	0.9
68.81957	0.8
70.45770	0.8
73.02938	1.4
81.61546	1.1
83.05042	2.1
85.95718	1.0
93.03458	1.0
97.06600	9.0
99.04532	1.4
109.06601	1.2
111.04548	1.5
111.08148	34.3
113.06088	7.5
115.14909	0.8
121.06577	2.1
125.06063	1.0
127.07617	5.2
127.48349	0.9
130.52757	0.9
135.08177	8.5
137.06104	2.4
139.07651	11.0
141.05620	7.0
143.07111	2.0
155.07164	18.4
160.38785	0.9
171.10258	4.3
173.13350	6.2
188.49078	1.0
191.14464	2.3
195.10318	1.4
209.11734	1.2
234.00613	1.0
234.56422	1.0
250.15283	1.0
253.14510	6.0
271.15533	100.0
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	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
57.03440	0.4
59.01379	0.8
71.05019	9.7
76.11734	0.4
85.06557	0.3
100.11803	0.3
104.82984	0.3
183.17558	9.0
191.22894	0.5
197.19130	15.2
200.46034	0.5
225.22247	28.4
253.21767	2.3
269.21191	2.1
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	271.228
Annotation	16-Hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
59.95142	0.2
81.12847	0.2
81.69824	0.2
133.10248	0.3
137.94826	0.2
149.56491	0.2
155.02188	0.3
156.39400	0.2
172.30830	0.2
225.22229	3.6
253.21661	2.5
269.21078	0.5
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	271.2281
Annotation	16-Hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
52.37292	0.3
62.48344	0.3
75.22297	0.3
88.03208	0.3
93.46706	0.4
106.91872	0.3
113.09712	0.8
113.41840	0.3
130.98280	0.3
141.12843	1.4
225.22284	2.7
240.45398	0.3
253.21776	3.1
269.21222	1.2
271.22806	100.0
280.91983	0.3
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-Hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
57.24528	0.3
69.00143	0.3
69.32323	0.4
92.23132	0.4
123.63011	0.4
127.11282	3.5
145.85698	0.4
225.22263	2.4
229.18120	0.4
253.21722	2.4
269.21399	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	271.228
Annotation	16-Hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
61.66830	0.4
64.56173	0.3
83.14700	0.3
98.04500	0.3
99.08147	4.6
101.40005	0.3
155.14410	3.4
169.15889	0.4
183.59259	0.3
225.22249	7.8
235.20683	0.7
247.29378	0.3
253.21652	0.6
269.21204	1.3
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	271.2279
Annotation	16-Hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
51.37988	0.6
71.20370	0.7
76.70581	0.6
83.05020	2.7
84.57440	0.5
85.06575	9.7
96.92262	0.5
133.23573	0.6
169.15962	9.6
225.22241	19.6
253.21829	1.2
265.60461	0.7
269.21188	2.6
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	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
55.93223	0.5
61.42543	0.6
64.24030	0.6
74.22269	0.6
79.50902	0.6
124.42759	0.7
135.35004	0.8
164.50368	0.7
223.03290	0.8
223.20660	1.6
225.22246	86.6
242.82932	0.6
253.21713	0.9
257.77774	0.8
271.22803	100.0
281.42151	0.7
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	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
59.01382	100.0
60.57062	0.8
99.06200	0.9
160.91524	0.9
197.98950	1.0
225.22282	5.3
271.22812	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	271.228
Annotation	16-Hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
93.37012	0.4
96.37600	0.3
97.30410	0.4
117.23708	0.4
225.22272	4.5
225.97664	0.4
253.21733	1.9
269.21243	0.4
271.22803	100.0
287.75925	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.6
60.24159	0.4
78.95901	10.1
82.38447	0.5
87.00857	0.9
89.03564	1.8
96.96930	0.6
102.36011	0.5
110.98516	15.8
125.00939	12.5
126.98869	14.9
132.04143	1.9
159.01605	0.5
160.67538	0.5
168.99925	100.0
183.01466	3.0
185.03127	0.7
211.00938	1.1
223.25121	0.5
236.98961	0.7
241.01189	6.1
254.99956	0.9
259.39911	0.5
273.01331	1.0
273.03821	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	273.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
74.02473	2.8
79.91588	0.5
79.95770	0.8
83.96651	0.5
85.89662	0.5
116.40246	0.4
118.00378	0.5
130.08714	0.5
193.07715	78.8
209.07199	0.6
218.53157	0.7
263.11029	0.5
273.03418	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97447	0.4
54.58116	0.5
55.01866	0.7
56.02535	0.7
57.00936	2.7
57.32085	0.5
59.93425	0.5
66.41759	0.6
67.03017	2.3
72.00914	0.7
72.39285	0.6
74.03593	19.6
84.02013	1.2
86.53049	0.6
92.23034	0.7
97.06578	20.6
98.02409	0.7
99.00878	8.7
100.04024	1.1
101.38141	0.6
113.38868	0.6
116.03502	1.1
118.05097	10.6
123.09283	4.6
133.06178	0.9
136.08842	1.3
138.10376	12.4
140.08319	1.4
154.09862	100.0
155.95461	0.6
157.09914	0.5
160.62288	0.5
165.25742	0.6
172.10922	11.2
175.08353	13.2
194.36436	0.6
197.97523	0.6
273.15729	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	273.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19853	0.7
58.04088	3.0
71.01369	1.0
72.00918	0.9
74.02472	1.1
74.03587	37.8
78.95917	0.9
88.04034	4.4
96.96943	1.3
97.06586	1.2
98.02476	4.2
99.00869	11.5
100.04028	1.9
104.03279	0.9
107.54814	0.8
110.40511	1.0
110.98535	0.9
118.05093	100.0
128.03481	1.7
128.09808	1.0
130.08752	1.1
133.06148	6.1
140.08293	6.6
154.09821	2.1
175.08362	93.0
181.06255	1.9
216.01895	1.6
273.04001	2.1
273.10919	3.6
273.15973	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	273.157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23568	0.8
51.81042	0.8
52.20413	0.9
55.01880	4.9
56.02522	1.1
58.04101	2.1
72.00925	1.4
74.03603	14.3
85.36872	1.1
92.74347	1.0
98.02467	1.7
99.00248	1.8
99.00877	40.1
105.70486	1.0
114.09225	32.2
118.05096	65.3
130.08694	2.1
133.06160	2.2
140.10800	15.8
140.21143	1.2
142.08710	2.5
143.11896	4.6
154.12381	8.0
168.10344	1.3
170.08237	1.1
172.13409	7.0
175.08284	10.6
198.11372	35.5
214.10831	1.3
216.12407	100.0
229.11961	2.7
231.13536	5.6
273.15704	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	273.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21258	0.4
51.40237	0.4
56.65994	0.4
57.03458	2.0
59.01384	15.3
69.03481	0.6
71.01377	10.2
71.05013	3.3
77.28947	0.5
83.05023	3.1
87.00874	1.9
90.65276	0.5
99.04477	0.6
99.08147	9.5
101.06091	1.1
109.06596	2.9
111.04494	0.8
111.08147	12.7
120.03892	0.5
121.16741	0.5
127.07641	2.9
129.09218	13.8
137.06076	1.1
139.11281	3.2
141.09221	3.3
143.07089	0.7
155.07149	16.4
165.12811	2.2
171.10294	2.1
173.08151	2.8
181.12384	2.4
183.13919	0.7
193.15950	1.2
201.14981	3.9
207.67357	0.6
211.13435	0.6
237.14906	4.4
255.16029	6.8
273.17099	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.4
59.99554	0.3
60.91803	0.3
61.42448	0.4
61.46227	0.4
67.48328	0.3
71.01382	0.7
74.02469	0.8
81.00935	2.2
89.02426	0.7
97.00430	8.6
99.01987	11.1
111.01981	2.9
124.99929	18.5
128.03532	0.4
129.03052	2.4
133.01402	0.4
134.04572	0.6
142.02576	100.0
145.01411	0.6
149.04553	1.6
154.02554	4.3
155.00961	0.6
157.03638	0.5
160.04041	0.5
168.00508	0.9
170.99684	0.8
172.03699	0.6
185.03154	6.5
189.05138	0.8
200.04445	0.4
215.03093	0.7
232.05768	18.1
239.07802	0.6
257.05353	0.6
271.24472	0.5
275.06613	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	275.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78248	0.5
55.25571	0.5
59.01377	2.8
59.45312	0.5
68.35799	0.5
71.01373	2.2
78.83089	0.6
81.00946	1.4
87.00350	0.8
89.02451	5.3
97.00442	8.4
99.02012	11.2
101.02460	2.4
111.01999	1.4
124.99906	18.2
129.03085	1.4
131.03477	0.7
134.04610	1.1
142.02579	100.0
149.04570	5.3
154.02591	4.6
170.99739	2.9
176.98160	0.8
185.03192	5.4
189.02522	0.8
197.03226	0.9
201.73154	0.7
215.03197	0.9
232.05759	16.6
245.40845	0.6
275.06311	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	275.0636
Annotation	Unknow
Peak:m/z	Relative Intensity
63.83345	0.6
68.28983	0.6
72.16842	0.6
74.02486	0.7
75.84539	0.5
81.00932	1.4
84.67548	0.6
84.73135	0.6
84.78639	0.6
86.02473	4.6
87.00798	0.5
92.08189	0.6
97.00427	7.5
99.02007	12.5
100.00395	1.2
101.33293	0.6
111.01979	2.6
124.99917	21.8
129.03131	2.0
134.04651	1.1
142.02577	100.0
143.01007	0.8
146.04593	1.1
154.02539	6.1
155.00983	0.9
167.30307	0.5
172.02489	0.9
172.03821	0.6
176.05659	1.0
185.03146	6.2
232.05771	17.0
257.05325	0.8
272.49374	0.7
275.06396	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	275.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02982	13.2
58.31684	0.8
59.01379	14.1
71.01372	1.4
73.26208	1.0
84.04503	1.1
84.99461	1.3
89.04394	1.0
95.06593	1.1
101.04336	3.5
102.04574	1.2
109.28442	1.2
120.04497	1.4
135.32823	1.0
136.04018	1.2
136.07674	1.5
142.02565	1.7
144.04539	7.8
145.02963	24.5
146.02480	100.0
146.06168	1.9
147.03290	4.1
151.03946	1.6
159.03233	4.8
160.04045	46.9
161.03532	5.9
162.05569	2.6
169.04088	4.5
170.04855	6.4
171.05637	47.9
172.04045	37.8
173.04794	1.6
187.05167	1.7
188.03503	16.8
188.10800	5.0
189.06715	43.4
196.53073	1.2
203.04614	2.5
203.08299	2.6
204.06667	18.3
212.05965	2.0
213.06801	1.6
215.02676	1.5
215.04636	34.5
215.08240	4.7
231.07767	13.9
231.11330	11.9
233.05719	7.3
275.06747	44.3
275.10449	10.5
275.13260	1.7
293.55569	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	275.104
Annotation	Unknow
Peak:m/z	Relative Intensity
82.02997	2.4
91.05525	3.3
106.27581	0.5
107.02522	1.1
109.03365	1.0
109.04071	24.1
112.04027	3.7
118.13512	0.6
127.05127	100.0
145.08838	0.8
147.04504	6.0
164.07188	2.3
171.10268	0.8
186.09300	0.6
187.07698	0.7
201.11372	2.2
214.08713	1.0
222.17050	0.6
231.11417	2.9
241.92827	0.6
275.10400	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	275.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83877	0.5
59.01383	100.0
62.01069	0.7
62.09952	0.8
70.73306	0.9
71.05013	1.1
97.06589	0.7
125.09724	19.8
129.09283	1.0
137.09735	3.0
139.11282	6.3
140.02766	2.9
143.07124	1.1
153.09175	2.8
155.10783	8.3
157.12392	1.1
160.22980	0.8
163.11311	1.6
165.09186	17.3
181.12415	5.9
183.10268	18.6
197.04895	9.7
199.13394	4.9
201.11313	1.4
215.12831	5.6
225.11359	4.6
255.86958	0.7
257.13934	4.5
275.02701	6.3
275.15021	49.0
275.18607	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	275.1502
Annotation	p-Coumaroylagmatine
Peak:m/z	Relative Intensity
56.14245	1.6
59.01377	3.7
83.05018	1.8
88.78888	1.5
99.00855	15.6
110.98080	1.5
125.09702	6.1
127.11310	2.9
130.42317	1.7
155.10727	1.7
155.14378	2.2
156.40753	1.8
161.66843	1.6
163.11319	7.7
171.10316	1.6
174.93756	1.7
181.12360	28.9
197.11801	3.1
199.13408	100.0
201.11330	3.0
207.10266	49.5
213.12122	1.8
215.12953	2.8
225.11333	89.1
231.15974	15.1
231.96503	1.8
243.12396	99.1
274.33978	1.9
275.15042	89.4
275.18121	2.9
278.56995	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	275.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42955	2.2
59.01377	21.4
63.54106	2.7
65.38003	2.9
68.51345	2.3
70.89994	2.2
71.01383	41.5
75.62243	2.1
81.03461	3.1
83.05011	4.9
97.02935	12.9
99.00916	2.9
109.06570	78.4
110.03719	13.5
110.61036	2.4
121.06548	4.5
125.09694	3.2
135.08144	14.5
136.05344	4.6
140.02710	3.6
142.02727	6.5
157.34178	2.7
161.09734	6.4
163.11288	54.2
171.10286	11.4
181.12343	24.0
185.11894	2.9
197.04878	22.0
199.13332	15.3
201.11395	2.6
203.57509	3.3
207.10257	100.0
207.30960	3.0
225.11337	35.6
243.12369	15.1
275.02548	12.0
275.14993	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	275.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56653	1.2
59.01381	1.8
59.51183	1.1
84.81157	1.3
99.92667	1.5
116.92868	12.4
137.14935	1.3
140.02742	9.6
147.90532	1.4
197.04874	28.8
231.21115	6.0
275.02573	13.6
275.20172	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	275.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.5
59.32199	0.8
60.70959	0.8
62.35923	0.8
107.83411	0.9
127.83508	0.9
196.91512	0.9
212.99358	1.0
231.21217	7.4
237.67961	1.1
257.19287	1.2
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	Nandrolone
Peak:m/z	Relative Intensity
53.80417	0.6
59.01377	3.4
83.38334	0.7
98.42087	0.7
117.03458	3.4
118.04232	3.0
119.05038	1.4
121.02972	0.9
145.02950	20.7
147.28134	0.8
163.04015	1.2
197.04945	1.8
231.21205	6.9
275.16595	35.7
275.20175	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	277.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10244	0.8
55.10047	0.9
58.02975	19.9
59.01380	2.5
66.03461	1.0
72.65913	1.1
80.37034	0.9
84.04536	5.0
85.02919	1.5
101.72301	1.0
104.41368	1.0
115.07507	1.1
118.02977	4.4
118.06617	1.5
120.04549	1.2
128.05040	9.5
129.81848	1.0
130.06615	84.8
131.03773	23.1
131.04831	2.2
133.06931	1.4
143.04646	2.6
144.04544	30.6
146.06119	37.4
148.04057	2.3
155.06111	4.1
172.04033	1.6
173.07144	2.0
174.05600	100.0
181.01799	1.1
181.85338	1.2
190.05093	59.1
210.01337	1.2
215.08224	2.1
218.04617	12.5
239.05902	5.1
277.03476	2.0
277.08359	12.6
277.11212	1.6
277.21658	1.3
281.92395	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99276	0.7
55.01887	0.8
58.02976	1.8
59.01384	100.0
62.45650	0.8
64.54510	0.8
71.01378	16.8
73.02934	8.9
75.81842	0.8
83.01411	3.5
84.04590	0.7
85.02965	10.5
87.00876	4.8
89.02419	1.0
95.01357	1.2
97.02937	0.9
99.00855	1.7
101.02433	21.7
113.02439	9.4
116.05047	0.9
129.01875	0.8
130.06636	1.5
131.03751	6.0
144.04570	0.9
145.05048	1.5
154.20667	0.8
159.03049	2.9
159.10301	6.1
161.04559	12.3
174.05615	1.6
190.05110	1.0
208.41264	1.0
217.07164	1.2
227.61913	0.8
235.08235	18.9
261.13852	0.8
277.21597	1.3
285.81946	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16688	1.0
54.72443	0.8
58.02982	19.3
59.01384	100.0
59.55014	0.8
60.34063	0.8
71.01380	5.9
73.02946	1.8
76.87697	0.9
83.97281	0.9
85.02943	2.1
99.05646	14.3
101.02421	7.3
109.22668	1.0
128.05055	2.4
130.06604	26.0
131.03804	8.6
131.05289	1.6
133.04376	1.9
133.06929	43.4
143.04619	66.2
144.04543	10.1
146.06128	10.3
161.04526	4.1
174.05600	30.9
174.07001	1.0
190.05095	20.9
218.04579	5.1
235.11908	13.6
277.08347	2.0
277.12289	38.4
277.21573	1.3
288.93768	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1294
Annotation	N-Benzoyl-D-arginine
Peak:m/z	Relative Intensity
51.86528	0.8
58.02937	1.0
59.01381	100.0
71.01374	13.1
71.36826	0.9
72.01061	1.0
73.02938	4.6
77.71215	1.1
83.01414	1.9
85.02931	8.7
92.08215	1.0
92.42629	1.0
101.02434	16.8
108.04545	1.7
111.67496	1.1
113.02440	6.1
128.39856	0.9
130.06618	7.7
144.04568	4.0
146.06085	2.4
161.04572	1.9
174.05605	11.5
190.05110	6.8
224.99596	1.2
235.07355	1.3
235.11922	21.3
242.15654	1.0
277.03452	1.7
277.08313	1.7
277.12885	2.5
277.21756	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	277.1293
Annotation	Pentoxifylline
Peak:m/z	Relative Intensity
52.60600	1.3
55.01863	1.3
58.62481	1.6
59.01383	100.0
67.55326	1.4
71.01397	9.5
73.02937	3.3
75.00872	2.4
83.01382	1.5
85.02934	6.5
97.23493	1.5
99.00829	2.0
100.04544	1.5
101.02440	17.8
113.02438	6.3
131.07123	2.5
161.04579	3.3
235.11856	18.5
244.61484	1.7
277.12857	3.5
277.21649	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	277.1446
Annotation	2-Ethylhexyl phthalate
Peak:m/z	Relative Intensity
50.59710	1.0
61.66281	1.1
63.05912	1.1
64.28064	1.0
71.83840	1.1
73.57417	1.1
78.20760	1.2
81.74601	1.0
106.25938	1.5
107.05025	6.9
117.48561	1.2
121.02953	39.9
127.11279	58.9
129.12827	4.7
134.03738	100.0
135.04500	2.9
147.00871	12.4
165.01939	2.7
194.92871	1.2
199.04558	2.9
199.33070	1.6
205.15950	2.4
233.15489	10.8
277.02362	1.6
277.14471	69.8
277.21793	4.9
294.81461	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	277.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50664	0.3
56.84283	0.3
59.01380	0.6
65.69444	0.3
74.66034	0.4
91.05525	13.0
91.06075	0.7
94.28490	0.4
112.07711	0.5
129.10335	74.6
147.04517	17.6
164.07190	17.2
194.18750	0.4
231.15134	0.5
233.16597	6.0
269.68390	0.4
277.15579	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54377	0.7
61.86089	0.7
82.06602	0.8
91.05515	11.6
97.00875	0.8
97.03503	0.8
111.37115	0.9
112.07714	1.3
129.10332	38.1
130.08731	20.2
141.10352	8.7
147.04530	7.5
147.23750	0.9
164.07181	9.4
189.05591	1.1
201.33463	1.0
216.13931	1.7
233.16788	1.1
241.48589	1.1
277.15591	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42345	1.7
55.01882	11.0
56.14940	1.6
57.03448	8.6
59.01384	95.9
59.01683	3.6
62.77051	1.8
64.58120	1.7
66.70351	1.8
71.01381	96.7
73.02937	40.5
83.01395	29.7
85.02955	63.2
87.00879	3.4
89.02440	14.1
95.01385	9.2
97.02992	2.2
97.60724	2.3
99.00854	15.2
101.02444	100.0
110.02835	2.1
113.02429	41.4
115.11275	2.4
126.95444	2.0
138.68504	2.1
159.03015	4.9
161.04590	31.3
186.89572	2.1
223.88167	2.0
277.11572	3.2
277.16595	44.2
277.21613	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	277.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	10.6
57.03449	3.6
59.01383	71.0
71.01380	72.7
73.02951	39.0
83.01379	23.7
85.02953	53.2
86.00085	1.9
87.00867	1.9
89.02434	9.0
95.01388	7.4
99.00866	13.1
101.02440	100.0
109.90453	2.0
113.02445	43.1
159.03017	10.0
161.04564	28.4
187.14909	3.1
226.39355	2.3
277.16675	31.7
277.21649	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	277.1811
Annotation	6-Paradol
Peak:m/z	Relative Intensity
59.01381	37.1
59.01680	1.2
67.97955	0.4
74.45399	0.5
91.66697	0.4
104.35354	0.5
171.32385	0.5
199.04663	1.9
205.15959	12.0
221.11818	0.9
233.19154	6.9
235.02736	0.5
277.18109	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	277.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50356	0.7
59.01371	0.9
65.75920	0.7
73.02254	0.9
73.43068	0.7
80.58592	0.6
85.08419	0.7
95.26411	0.6
99.16414	0.6
215.30618	0.8
231.57031	0.9
266.81155	0.8
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	277.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36190	1.0
65.41640	1.1
95.08345	1.2
146.70142	1.3
180.00633	1.5
199.04599	8.8
277.02335	2.5
277.21741	100.0
289.40164	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	277.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72122	0.5
55.77623	0.5
57.14892	0.4
59.01386	0.7
80.36958	0.4
83.67580	0.5
111.32674	0.5
127.31448	0.5
130.04680	0.5
134.26308	0.5
142.02425	0.7
199.04651	2.3
259.20682	1.0
275.20056	0.7
277.02356	0.9
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	277.2172
Annotation	gamma-Linolenic acid
Peak:m/z	Relative Intensity
59.01387	1.0
64.87301	0.7
68.66602	0.5
81.09821	0.6
93.55233	0.5
115.40817	0.7
121.61690	0.7
139.78194	0.7
173.49489	0.6
199.04448	0.6
214.24550	0.7
222.99292	0.7
223.39328	0.6
231.45120	0.6
250.08990	0.7
250.97708	0.6
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	277.2173
Annotation	gamma-Linolenic acid
Peak:m/z	Relative Intensity
50.63178	0.6
51.81662	0.7
59.68975	0.8
73.98432	0.7
109.24594	0.9
117.84354	0.7
175.62456	0.8
277.21744	100.0
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
51.45181	0.6
58.90747	0.5
59.01386	1.2
61.51585	0.7
64.50815	0.6
65.39008	0.5
75.80925	0.6
80.84179	0.6
81.52515	0.7
94.05035	0.7
144.95334	0.7
233.19138	11.9
277.18283	7.9
277.21735	100.0
290.80472	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74982	0.2
68.00138	3.7
68.14786	0.3
82.10052	0.3
92.23134	0.4
97.04089	0.7
138.21262	0.3
138.47211	0.3
142.02493	0.4
163.85002	0.3
199.04568	0.6
210.53062	0.3
277.22888	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70249	1.0
59.53746	1.1
66.07731	1.1
73.04064	26.9
73.16122	1.2
74.02480	13.7
78.62929	1.1
83.02504	2.3
85.04082	1.8
91.05494	2.5
93.68439	1.3
112.05158	17.3
113.03562	9.0
118.06611	2.0
130.06215	100.0
147.04488	16.2
151.28749	1.2
160.07729	9.7
164.07170	37.9
177.10272	11.0
203.08371	4.5
234.12508	2.3
278.11453	95.7
278.22131	1.6
284.69351	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	278.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45063	1.0
58.02981	11.7
61.24973	1.2
62.87992	1.0
70.02972	2.1
71.02491	21.6
72.00915	5.6
91.05531	3.3
98.02464	14.1
98.78800	1.3
102.98602	1.3
109.01656	2.2
112.05214	1.7
113.03555	27.5
118.06611	18.8
126.04336	9.7
130.06216	15.7
146.06004	1.4
147.04521	29.6
148.07718	1.7
164.07176	100.0
175.08766	37.8
199.08806	3.0
200.07088	2.4
216.11436	2.0
217.09871	13.4
218.77768	1.5
244.06108	2.5
261.08813	26.3
278.11459	79.3
278.14493	2.8
278.22031	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	278.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34667	3.8
59.01377	6.8
65.76318	4.1
66.17175	4.6
67.44714	4.5
68.77203	4.1
71.01369	24.9
71.18689	4.1
74.00692	4.1
74.75076	3.9
77.87412	4.2
88.04034	6.5
89.93761	4.7
114.01983	6.8
115.00349	6.1
116.01728	5.9
116.05062	93.3
119.05007	12.1
122.49229	5.4
124.53264	4.9
130.06209	21.4
132.03018	100.0
158.06174	8.6
161.04659	5.1
164.07164	11.2
178.01920	5.0
188.07233	45.7
278.06689	7.0
278.11237	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	279.0642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38247	1.9
50.65771	1.7
59.70340	2.0
62.92115	1.9
63.10193	2.0
64.35249	2.3
64.55824	1.9
99.08146	3.2
111.08132	8.3
113.99578	67.7
114.00339	3.5
115.97608	2.0
127.07639	10.3
139.07672	8.6
143.07060	2.9
147.04524	3.0
155.07156	9.5
156.00639	13.7
161.57953	2.3
164.57481	1.9
174.00233	3.9
174.01678	53.4
175.89781	2.1
183.06635	100.0
243.08694	37.9
279.06409	10.1
279.09424	2.7
279.12396	14.3
279.23279	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	279.0642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38247	1.9
50.65771	1.7
59.70340	2.0
62.92115	1.9
63.10193	2.0
64.35249	2.3
64.55824	1.9
99.08146	3.2
111.08132	8.3
113.99578	67.7
114.00339	3.5
115.97608	2.0
127.07639	10.3
139.07672	8.6
143.07060	2.9
147.04524	3.0
155.07156	9.5
156.00639	13.7
161.57953	2.3
164.57481	1.9
174.00233	3.9
174.01678	53.4
175.89781	2.1
183.06635	100.0
243.08694	37.9
279.06409	10.1
279.09424	2.7
279.12396	14.3
279.23279	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	279.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64803	0.6
54.86842	0.6
57.03452	26.1
59.01103	1.1
59.01381	21.7
60.56191	0.9
62.64199	0.7
65.56954	0.6
68.55450	0.6
70.02975	0.9
71.01384	6.2
71.02487	6.0
75.00875	4.9
85.02966	1.0
87.00881	0.9
89.02433	9.8
96.00912	1.4
99.04510	61.0
101.02434	24.5
107.05040	0.8
110.02442	1.3
111.02012	1.5
113.02449	1.6
114.01926	1.7
114.39590	0.8
115.00367	1.2
119.03497	1.9
135.02997	59.6
145.23245	0.8
147.06483	0.7
161.04553	100.0
163.08830	1.2
164.07211	1.0
164.09061	0.9
177.04077	1.3
235.10802	1.2
243.06145	4.2
261.10849	5.2
279.04175	1.4
279.07269	25.1
279.11908	6.2
279.23260	8.1
284.69370	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38693	0.8
53.97073	0.8
55.01862	1.2
58.95100	1.0
70.03022	0.9
71.01375	1.3
72.00899	2.2
72.04547	2.2
90.69646	1.0
91.05535	1.2
92.23023	1.2
98.02473	25.7
99.00887	4.5
99.04488	1.2
100.04041	1.4
101.02453	1.3
109.01714	3.3
111.58567	0.8
113.03551	5.5
116.03553	1.3
118.05097	100.0
118.26336	0.8
126.04349	18.7
147.04517	15.0
148.07677	5.1
164.07172	28.3
174.05719	1.1
174.09366	0.9
175.08763	7.9
178.05087	11.4
197.87885	0.9
199.08832	1.2
200.07187	4.2
217.09802	7.7
244.06175	3.9
261.08838	17.3
262.20758	0.9
279.23358	12.2
287.38797	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.7
59.01382	83.0
59.14756	1.6
59.85478	2.1
67.31886	1.8
67.38196	1.6
71.01378	61.6
71.01778	2.1
71.02499	53.6
85.02944	9.5
88.04017	24.7
89.02440	63.5
91.05527	11.9
94.88795	1.8
99.04501	7.8
99.05629	4.6
101.02444	26.9
113.02441	25.3
115.00356	34.6
115.08763	22.2
119.03491	26.2
119.04967	3.2
132.02988	3.6
135.02994	2.8
146.06094	21.3
147.04530	4.6
159.06532	2.2
161.04532	12.3
163.08771	41.0
164.07190	34.5
179.05705	3.8
180.03596	1.8
180.06772	2.2
235.10883	36.5
235.14490	2.3
261.08719	4.5
279.10184	100.0
279.13623	26.9
279.23392	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	279.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39680	1.0
53.09871	1.1
54.32540	1.1
55.78852	1.1
57.03456	1.4
59.01384	100.0
60.31878	1.0
65.58841	1.1
68.04218	1.0
71.01379	51.7
71.02508	6.2
71.05043	1.3
83.56505	1.1
85.02927	10.9
87.00883	1.4
88.04037	1.5
89.02439	73.1
92.26911	1.2
92.51682	1.2
95.01409	5.5
97.02953	1.2
99.04533	7.0
99.15311	1.2
101.02446	37.2
113.02444	30.1
115.00368	1.9
115.08780	5.7
116.07188	4.8
117.05569	29.4
119.03487	33.2
131.03534	1.6
135.02997	1.4
150.06825	1.2
152.69666	1.4
158.41219	1.2
161.04549	6.4
163.08824	2.6
164.07274	3.1
179.05629	4.8
184.14796	1.2
257.78247	1.4
279.10907	87.8
279.13745	18.1
279.23495	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	279.124
Annotation	8'-Hydroxyabscisate
Peak:m/z	Relative Intensity
57.03454	10.2
59.01384	0.7
60.40784	0.6
64.39694	0.8
71.05473	0.7
83.04999	1.1
83.20180	0.8
90.33597	0.7
95.05063	1.0
97.02972	6.7
97.06575	1.5
107.04990	0.9
109.02982	3.9
109.06614	5.4
111.04492	1.5
115.98941	0.9
118.39616	0.7
119.08665	1.1
120.00523	0.7
121.06585	2.8
122.03741	9.3
123.04508	3.2
123.08190	1.0
124.05282	11.9
124.35538	0.8
125.06070	1.2
137.06090	9.9
137.40462	0.8
139.07654	100.0
140.42107	0.8
143.74915	0.8
147.08183	4.0
150.06837	0.8
151.21588	0.7
163.07643	1.7
165.85303	0.7
168.07930	23.3
169.08684	1.7
171.08162	1.1
172.08891	1.2
177.12781	1.4
187.11293	22.3
190.09987	5.5
205.12355	40.4
217.12369	0.9
235.13425	4.7
243.14384	6.5
249.11258	1.9
275.15353	1.0
279.09305	2.4
279.12372	13.3
279.15140	1.3
279.23404	1.9
292.25745	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1351
Annotation	Tyr Val
Peak:m/z	Relative Intensity
59.01377	9.8
71.01373	5.5
71.02520	1.0
76.67789	1.0
85.24757	1.0
89.02430	5.5
92.23094	1.4
98.87105	1.1
99.04471	1.3
101.02410	2.0
106.04256	1.9
107.05015	18.0
113.02429	4.1
115.08792	1.1
116.07168	31.4
119.03505	2.4
119.05003	2.4
127.08756	13.2
129.10359	4.9
134.06148	1.7
148.74466	1.3
173.09293	10.3
196.25224	1.2
218.11839	5.9
244.92836	1.2
245.29048	1.3
245.41769	1.3
268.66907	1.1
279.10654	8.3
279.13528	100.0
279.23282	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	279.145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.1
57.03449	2.7
59.01383	69.1
59.56205	2.4
59.56507	2.7
61.57663	2.4
63.39216	2.6
64.27648	2.9
64.96896	2.5
68.45744	2.8
71.01376	80.3
72.01931	2.8
73.02940	37.3
83.01387	13.1
85.02927	54.7
87.00821	4.6
89.02441	21.4
95.01431	3.5
96.95975	3.5
98.02456	12.6
99.00879	14.7
101.02436	100.0
101.91599	3.1
105.54477	3.3
113.02431	47.1
117.09145	4.9
118.05088	52.5
119.03476	5.1
126.04371	6.4
138.33829	3.0
147.04449	4.4
159.02968	14.5
161.04544	66.4
164.07178	18.7
175.08783	4.6
178.05093	4.9
194.62163	3.1
261.08765	17.0
279.11713	6.0
279.14511	58.9
279.23264	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	279.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.8
59.17111	1.2
65.14407	1.1
79.58981	1.2
80.67719	1.1
91.95061	1.1
100.79624	1.3
106.42200	1.3
106.51308	1.1
111.08155	2.0
121.10221	54.2
132.85526	1.6
134.64935	1.5
139.71674	1.2
157.08691	94.6
171.10310	7.7
181.12473	1.3
217.19688	7.9
234.17001	1.5
248.57339	1.5
261.18594	100.0
279.16751	3.3
279.19702	91.7
279.23218	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	279.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80751	1.1
59.01379	7.6
64.89549	1.2
70.16144	1.4
77.77799	1.6
87.50041	1.4
96.95957	3.0
107.08664	31.0
125.09650	1.9
137.45372	1.4
163.14928	2.0
171.10265	73.1
176.59517	1.3
185.11931	2.3
217.19592	6.1
219.45128	1.5
221.15546	2.0
261.18616	100.0
276.75253	1.4
279.16641	3.7
279.19666	67.9
279.23203	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	279.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67654	0.7
62.65921	0.7
70.78011	0.7
81.72536	0.8
114.32319	0.9
123.86228	0.8
124.27530	0.9
128.48291	0.9
238.92603	0.9
256.85431	0.8
278.35117	0.9
279.22397	100.0
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
59.01378	0.9
86.20264	0.6
106.04006	0.6
106.58368	0.6
109.14488	0.6
111.24294	0.6
136.74266	0.6
167.58565	0.9
181.22829	0.6
222.96170	0.6
261.22232	1.1
272.05478	0.6
279.23608	100.0
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
63.37947	0.6
66.91744	0.5
129.14291	0.6
188.29262	0.6
279.23294	100.0
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
53.71052	0.5
56.98635	0.5
59.59467	0.4
67.36241	0.5
78.54362	0.5
114.39118	0.5
119.43159	0.5
122.52929	0.5
125.35416	0.6
249.97218	0.6
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	279.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90334	0.2
52.70859	0.2
54.50872	0.2
58.84710	0.2
61.61385	0.2
68.00151	0.5
79.95115	0.2
85.26102	0.2
93.36365	0.3
95.02419	0.3
103.21999	0.2
112.35826	0.3
139.52937	0.3
172.33659	0.3
233.66121	0.3
279.24454	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41910	0.3
53.30627	0.3
77.68671	0.4
96.87132	0.4
105.57075	0.4
134.03737	26.0
137.02431	1.6
139.04042	0.4
142.00490	0.4
149.06082	17.0
177.92288	0.4
178.02721	35.3
193.05070	100.0
199.87575	0.3
202.98462	0.3
281.06686	1.5
281.24866	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60864	0.5
59.01381	100.0
84.38367	0.5
85.02936	0.6
101.02455	1.0
101.77481	0.6
103.13577	0.6
113.02442	1.0
114.37944	0.6
144.40390	0.6
221.10216	5.1
221.44618	0.6
237.49022	0.7
260.70407	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1395
Annotation	Hymenoxon
Peak:m/z	Relative Intensity
56.77062	1.2
57.03441	9.4
59.01376	12.0
83.05019	10.0
87.00876	12.0
108.84911	1.5
111.04486	6.7
111.08158	2.8
115.05999	1.4
121.06626	1.7
122.48142	1.4
123.08159	31.4
137.09727	3.8
139.07631	6.9
141.55525	1.9
145.10167	2.4
151.07631	3.6
153.09227	2.0
163.46916	1.6
171.11794	38.3
175.11354	2.1
189.12889	13.5
201.12865	9.0
207.13890	7.7
216.18021	1.6
219.13905	5.9
232.05983	1.4
237.14970	43.7
281.10849	3.5
281.13962	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	281.1395
Annotation	Hymenoxon
Peak:m/z	Relative Intensity
50.30312	0.6
50.54917	0.6
57.03458	9.1
57.32759	0.6
59.01380	5.9
60.37530	0.6
60.54916	0.7
60.66201	0.9
61.75081	0.8
65.03963	2.0
71.70311	0.9
76.43961	0.7
83.05020	8.5
87.00859	11.0
93.03451	1.0
95.05000	1.8
97.02971	0.9
106.47295	0.8
111.04517	5.1
111.08134	3.7
113.06034	1.1
119.08668	1.0
121.06560	3.9
123.08161	27.0
134.03773	1.2
135.08144	1.3
137.09694	1.9
138.06868	1.0
139.07642	5.7
145.10214	4.8
151.07649	3.8
153.09224	3.9
163.11229	1.1
169.08746	1.7
169.10170	1.9
171.11786	38.4
189.12865	14.3
193.05016	2.0
201.12845	13.1
207.13922	7.4
216.35561	1.1
219.13953	2.0
237.13112	0.8
237.14963	39.3
281.13968	100.0
281.24866	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	281.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36474	0.4
51.35875	0.3
59.01383	0.4
60.57256	0.4
60.66766	0.3
95.65593	0.3
98.13449	0.5
100.82847	0.4
104.94884	0.4
106.96690	0.4
122.00771	0.5
125.09709	3.9
137.09712	2.3
141.12836	1.8
145.33485	0.4
168.04984	0.4
173.01027	0.4
237.22247	2.7
281.21237	100.0
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
57.15101	0.4
73.35758	0.5
74.45271	0.5
121.60335	0.5
126.43598	0.5
170.56276	0.5
198.67445	0.5
211.64391	0.5
281.24878	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	281.2487
Annotation	Vaccenic acid
Peak:m/z	Relative Intensity
53.24873	0.3
54.77052	0.3
112.30980	0.3
148.74294	0.4
167.16776	0.4
180.48439	0.5
195.30374	0.4
281.24875	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	282.0846
Annotation	L-Tyrosine
Peak:m/z	Relative Intensity
52.41114	0.3
54.76936	0.4
55.12452	0.3
77.50137	0.3
92.23087	0.4
98.50258	0.4
107.03661	0.8
108.02040	2.6
126.03087	1.4
129.41603	0.3
133.01564	12.7
147.79529	0.4
150.04213	100.0
164.12042	0.3
195.89716	0.3
216.94066	0.4
282.08475	30.3
288.35538	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37589	1.2
61.49623	1.2
174.53716	1.5
183.04521	11.2
211.04037	8.3
227.03517	2.6
255.03008	96.3
268.03799	25.8
283.02560	100.0
283.06097	14.9
283.26459	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	283.0249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60015	0.4
63.02385	0.5
65.00329	0.8
75.43819	0.6
92.82579	0.6
97.14626	0.5
104.15429	0.5
107.01397	0.6
114.29018	0.5
117.03448	2.9
121.94965	0.6
135.00859	1.0
135.68610	0.6
151.00356	2.5
155.04974	1.1
155.21307	0.6
157.18187	0.5
159.04514	1.2
167.04955	0.7
183.04491	10.6
187.04018	0.7
199.04082	0.9
199.33528	0.5
211.04007	7.6
226.02722	0.7
227.03462	5.1
255.03006	100.0
283.02505	97.1
283.26422	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	283.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
107.01431	0.5
145.84494	0.3
151.00407	0.5
209.14938	0.3
239.03619	0.4
240.04263	1.1
255.02962	2.4
268.03775	100.0
283.06119	69.6
283.23438	0.6
283.26425	12.3
283.29565	0.5
284.76645	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0612
Annotation	Acacetin
Peak:m/z	Relative Intensity
53.65736	0.4
57.77595	0.4
78.20676	0.3
84.46603	0.4
86.07452	0.4
89.98738	0.4
92.23137	0.4
117.03491	1.5
120.09335	0.4
156.17725	0.5
219.70699	0.4
233.52499	0.4
239.03424	0.5
240.04405	0.9
264.95880	0.5
268.03784	100.0
283.06128	89.4
283.26379	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	283.0614
Annotation	Biochanin_A
Peak:m/z	Relative Intensity
51.12696	0.3
51.30612	0.4
52.69040	0.4
67.54324	0.4
69.82880	0.4
72.80238	0.4
73.21042	0.4
74.18542	0.4
92.23112	0.9
114.77297	0.5
140.14822	0.5
184.05298	2.0
195.04471	0.8
211.04042	4.3
212.04791	2.0
224.04735	1.7
239.03488	3.0
240.04256	4.5
245.88310	0.5
267.02921	1.7
268.03793	100.0
283.06140	49.2
283.26370	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	283.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.4
62.69283	0.3
66.45345	0.3
71.01393	0.5
77.53362	0.2
101.02438	0.5
135.00874	0.7
136.05386	0.4
148.01695	1.2
163.06110	1.3
184.05336	1.7
195.04630	1.1
195.95175	0.3
196.05313	1.3
211.03995	4.9
212.04745	0.6
221.14784	0.3
223.04083	0.4
224.04836	1.1
239.03447	2.3
240.04292	5.4
241.05171	0.3
267.02945	1.7
268.03784	100.0
283.06128	53.6
283.11362	0.7
283.12375	0.7
283.26419	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	283.0614
Annotation	Biochanin A
Peak:m/z	Relative Intensity
50.56549	0.2
54.65839	0.2
57.98132	0.2
67.22517	0.3
91.01866	0.4
135.00940	0.3
144.20482	0.2
148.01631	0.6
184.05318	1.9
195.04515	1.2
196.05304	0.5
211.04024	4.6
212.04793	1.8
224.04819	1.8
239.03419	2.4
240.04291	5.9
267.02960	1.8
268.03790	100.0
283.06146	50.5
283.26413	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	283.1036
Annotation	Coformycin
Peak:m/z	Relative Intensity
57.03454	2.0
59.01380	100.0
71.01376	44.2
71.01726	1.5
73.02934	9.5
74.87323	1.3
83.01382	2.9
85.02935	12.3
87.00890	1.9
88.04021	8.1
89.02435	62.8
89.04381	2.0
95.01363	2.9
101.02441	45.5
103.03992	7.1
113.02439	24.9
117.00444	2.1
119.03477	19.6
121.05056	22.5
124.11747	1.4
129.01953	1.9
143.03505	1.7
149.04523	2.7
150.04167	2.3
159.01476	27.3
159.02773	2.4
161.04544	16.2
169.02516	2.0
179.05573	13.4
184.99469	13.1
209.06618	8.8
217.00128	1.7
218.63229	1.5
223.08255	16.4
268.03802	20.7
283.06497	14.8
283.10422	53.5
283.23425	3.0
283.26428	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	283.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29974	0.6
78.37400	0.7
82.00652	0.6
86.44230	0.7
105.71292	0.7
107.05025	58.8
109.64379	0.6
134.01775	0.7
137.65685	0.7
140.18744	0.7
144.61659	0.6
163.11279	67.0
268.03745	3.6
283.06296	1.4
283.17081	72.4
283.22949	8.4
283.26410	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16965	0.6
52.01654	0.5
65.65153	0.6
126.56973	0.5
127.11338	1.0
129.00803	0.6
155.10776	19.5
171.10277	0.8
190.77386	0.6
193.57104	0.6
200.47064	0.7
208.09239	0.6
209.39307	0.7
222.17511	0.7
232.17757	0.6
256.34448	0.7
256.37115	0.7
265.19186	1.0
265.21780	21.0
268.03696	0.9
283.06180	0.8
283.22800	100.0
283.26385	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	283.228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	3.5
70.94245	0.6
95.88763	0.6
109.06557	1.1
123.08137	0.8
125.09801	0.7
141.09229	15.2
141.12840	0.8
201.02632	0.8
242.61787	0.6
250.45638	0.6
265.21722	14.2
268.03775	4.7
273.76477	0.6
278.36929	0.6
283.06223	3.0
283.22812	67.9
283.26428	100.0
294.45377	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2643
Annotation	Linoleic Acid-d4
Peak:m/z	Relative Intensity
56.52792	0.5
56.67633	0.5
79.13447	0.5
121.17842	0.6
131.48955	0.6
283.26443	100.0
303.01642	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2643
Annotation	Linoleic Acid-d4
Peak:m/z	Relative Intensity
58.84875	0.4
62.18166	0.5
68.83593	0.5
76.90825	0.5
127.75796	0.6
176.63972	0.6
192.31801	0.6
268.03735	3.0
283.06192	1.2
283.26434	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27692	1.0
51.87513	0.8
66.95914	0.7
68.81631	0.8
82.02942	1.2
83.06149	1.4
93.74385	0.9
101.07156	1.0
110.74078	0.9
113.07202	21.3
114.05573	1.8
127.05112	16.5
128.03558	3.7
133.01552	0.9
139.08804	2.0
145.06192	8.0
150.04222	3.5
151.02548	0.9
156.06674	2.0
157.26894	0.9
180.11427	74.9
181.09862	2.2
198.12483	90.2
206.09390	2.2
211.87630	1.2
224.10431	16.6
231.46428	0.9
238.05945	1.0
242.11520	5.6
266.11462	34.6
269.04120	6.2
284.12531	100.0
284.26788	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	285.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57839	0.6
64.46880	0.6
66.43497	0.8
107.86050	0.8
108.02169	92.1
109.02940	16.3
111.33662	0.7
152.01149	95.9
153.01933	38.8
163.04044	1.3
177.01846	0.7
184.16504	0.7
228.87160	0.7
267.57474	0.8
285.06174	100.0
304.04691	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27253	1.5
52.00621	1.5
58.02974	25.8
59.01385	3.4
62.60045	1.8
70.02964	25.8
87.05631	2.5
89.02429	7.8
90.29473	2.0
92.69450	1.9
95.02544	2.3
96.00903	49.3
96.96002	8.3
99.00874	2.2
105.01963	2.2
108.02184	17.6
109.02886	2.8
109.06578	4.6
109.96317	2.1
111.73893	2.0
113.03557	35.6
114.01971	42.2
123.04530	3.0
126.09245	24.3
126.12857	2.3
131.04617	75.6
149.04539	18.3
152.01186	14.9
152.10794	3.6
153.01950	4.4
169.09734	3.8
170.08249	28.9
196.67780	2.1
223.10902	51.8
224.09187	2.1
267.09973	17.9
285.06354	22.3
285.10931	100.0
285.27066	5.0
303.87927	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	285.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20409	1.0
51.40513	1.1
52.59293	1.2
58.02736	1.1
58.02974	11.6
58.03209	1.1
59.01368	1.4
65.40805	1.2
68.09172	1.3
70.02984	17.3
71.35506	1.2
71.36187	1.4
72.00931	2.5
76.38270	1.2
87.05641	2.3
96.00912	30.1
109.02937	2.1
109.06580	6.5
111.01988	1.3
113.03571	31.0
114.01966	38.4
116.05063	7.0
126.09264	17.2
131.04622	100.0
137.02440	3.3
142.06630	1.7
147.68456	1.3
152.10837	1.8
153.01965	5.6
166.30522	1.6
168.26532	1.4
169.09964	2.0
170.08240	31.7
203.08292	24.0
223.10898	30.1
225.06409	16.4
241.12025	1.6
267.09952	12.2
285.05905	3.0
285.10977	65.7
285.16144	2.3
285.27090	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	285.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65741	1.0
58.02979	10.3
58.85690	1.4
63.94815	1.1
69.82647	1.3
70.02974	12.0
71.01371	1.8
72.00866	1.5
78.25093	1.2
96.00898	8.5
98.02463	12.2
112.30775	1.2
123.04493	6.3
153.09227	1.4
170.11865	91.8
180.13940	36.3
182.11848	17.5
196.13374	2.2
197.11833	13.3
198.15004	40.4
198.16783	1.7
206.11818	6.7
224.12929	46.7
241.15588	100.0
250.10849	14.9
268.11887	2.8
285.09851	2.2
285.14551	70.4
285.27084	6.4
293.19785	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	285.2072
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
60.30982	0.5
64.68972	0.5
68.11216	0.5
103.63699	0.6
105.19705	0.6
111.00265	0.6
214.95535	0.6
216.06316	0.8
221.19011	1.1
223.20689	80.0
241.21742	2.5
267.17392	0.8
267.19659	48.1
285.20734	100.0
285.27188	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	285.2435
Annotation	2-Methoxyhexadecanoic acid
Peak:m/z	Relative Intensity
56.92550	0.4
61.06547	0.5
76.44676	0.4
85.95388	0.5
109.33652	0.4
180.38536	0.4
223.16982	0.4
237.22200	2.9
239.23808	90.4
267.23273	1.9
285.24374	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	286.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89821	0.8
58.02969	1.6
73.04071	10.2
80.17465	1.0
98.02476	2.0
99.00877	4.2
115.08724	1.1
116.07200	1.9
118.05105	4.4
125.07169	4.1
127.08721	3.7
129.10327	4.1
130.08725	64.5
132.06679	1.0
155.08269	13.7
167.11899	8.3
172.10933	1.8
185.16592	57.7
195.15091	0.9
229.15613	1.8
242.18748	14.2
286.17740	100.0
290.97305	1.0
306.90640	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65707	0.6
60.81141	0.5
66.20580	0.6
82.02995	0.9
87.94229	0.7
116.20023	0.7
124.63568	0.6
125.02386	0.9
127.58432	0.7
148.12880	0.7
152.11241	0.6
158.42744	0.7
169.62740	0.7
173.03569	4.9
183.05638	12.2
200.13640	0.7
215.04626	36.0
225.06764	0.9
243.07744	4.6
287.06784	100.0
287.10275	7.9
287.15186	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	287.104
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11439	0.3
59.01397	0.4
61.54099	0.3
62.55364	0.4
84.04600	2.2
91.01942	0.5
92.05084	0.5
118.02976	9.4
124.07668	3.6
136.07726	1.9
138.20189	0.4
142.45746	0.4
150.05583	0.6
158.06195	0.7
172.11374	0.9
177.06686	0.5
181.12395	0.6
186.07851	0.6
188.10771	2.2
198.09218	0.5
200.10864	14.3
213.06731	0.6
214.07462	0.7
215.08331	4.4
215.11902	4.4
216.10361	1.9
225.10414	0.7
225.92566	0.4
226.08737	2.8
228.09099	3.6
241.09915	0.6
243.11389	100.0
261.12613	1.4
287.10394	27.6
287.14978	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	287.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17776	1.4
57.99348	6.3
58.02973	2.0
59.01394	1.7
72.04536	2.2
74.02469	65.0
75.00820	1.7
75.58069	1.4
80.06117	1.6
83.05021	2.1
85.06560	14.1
88.15505	1.7
98.02444	8.7
99.00875	8.6
118.05100	38.1
126.57375	1.7
128.07169	9.9
130.08723	12.1
136.38252	1.7
156.10240	14.8
168.10315	31.8
169.12303	2.8
186.11356	100.0
186.31171	1.9
212.09317	13.6
213.11342	2.5
230.10342	18.4
243.13512	50.9
287.05646	2.6
287.12442	20.3
287.16052	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	287.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99330	5.5
58.00595	1.5
58.02975	5.9
59.01386	1.5
59.98535	2.1
60.88616	1.0
74.02471	80.3
85.02951	1.8
85.06604	10.5
98.02477	6.2
98.15416	1.0
99.00867	5.5
100.04031	2.7
100.07693	2.2
103.04018	2.1
113.09734	1.8
118.05102	25.9
126.09202	1.4
128.07173	10.5
130.08751	10.8
138.12888	1.7
140.10838	1.1
141.09203	1.2
156.10275	12.5
158.11845	2.0
168.10301	22.8
186.11369	100.0
212.09294	13.6
215.05118	4.6
230.10367	20.6
230.13910	14.1
243.13533	53.2
269.45087	1.2
287.03534	7.3
287.12497	19.1
287.16095	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	287.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22263	1.1
56.02531	5.6
59.01393	2.1
65.46864	1.4
67.43380	1.3
71.89771	1.2
73.84647	1.3
74.03595	15.3
78.62146	1.2
79.47008	1.4
82.02994	2.0
85.06598	9.6
102.66414	1.4
128.07153	10.3
130.08769	12.7
156.10347	2.0
158.11845	2.3
168.10298	17.5
182.09772	1.6
186.11365	100.0
201.12416	7.9
227.02461	7.2
243.14647	41.7
245.03485	2.9
248.71899	1.3
250.00020	1.4
256.33282	1.8
287.13629	19.6
287.16879	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	287.1502
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
52.62221	0.6
59.01381	83.1
68.43319	0.7
70.95506	0.6
98.14495	0.7
99.04530	2.8
108.56976	0.6
165.12866	1.2
167.10657	0.9
171.10130	0.7
199.13405	9.1
207.13916	4.3
209.11823	10.3
215.12903	4.0
225.15057	5.7
227.12906	49.4
234.02979	0.7
251.12889	1.6
269.13980	12.8
282.19083	0.8
287.11740	4.1
287.15012	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73643	0.5
52.01891	0.9
55.01887	0.8
56.78366	0.6
57.99319	0.9
58.02980	0.7
59.44890	0.5
59.98523	0.8
63.49966	0.6
65.56680	0.6
70.31675	0.6
72.00903	1.2
72.04536	4.2
74.02467	16.4
85.06587	1.3
88.04044	1.1
98.02470	25.2
99.00874	21.6
100.04042	4.2
116.03550	6.2
116.04224	0.7
118.05099	100.0
122.09734	3.0
124.11324	2.5
125.85983	0.8
128.07161	1.7
130.08734	1.6
156.10278	4.2
168.10303	44.4
170.11906	1.8
177.01675	0.9
186.09758	1.6
186.11371	41.7
198.04424	0.7
212.09378	1.0
215.05063	1.6
230.10359	4.6
230.14018	1.5
243.13507	10.6
287.03510	3.5
287.12579	6.0
287.16150	86.5
302.99121	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.1
63.17561	0.5
81.03451	1.0
83.05012	1.3
94.83628	0.6
95.05009	5.0
97.06596	0.8
106.04257	1.2
107.05014	2.6
109.06573	8.8
112.66697	0.6
119.08723	0.6
120.48293	0.6
121.06557	3.6
121.10270	1.0
123.08134	7.2
133.10208	1.1
135.08153	2.4
147.08194	0.9
149.09709	3.6
159.08168	0.8
161.09723	2.9
175.11270	3.5
177.09187	0.8
185.09729	0.9
189.12808	7.9
213.11270	0.7
215.14375	1.3
243.17543	31.0
269.15439	0.8
287.16550	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64836	0.8
53.97764	0.8
59.01372	4.4
60.92722	0.9
81.03448	1.0
95.05022	6.5
106.04268	1.1
107.05048	1.0
109.06560	10.3
121.06611	4.7
121.10202	1.1
123.08125	7.3
135.08139	1.8
138.33098	1.1
147.08195	1.1
149.09732	2.2
159.08174	1.2
161.09779	1.3
163.07820	1.2
175.11253	1.6
183.46602	1.0
189.12894	6.4
215.14400	1.9
243.15080	1.2
243.17535	34.6
269.15472	1.3
287.16544	100.0
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	Unknow
Peak:m/z	Relative Intensity
54.37568	0.8
55.77854	1.0
58.76112	0.9
59.01380	4.6
65.17597	0.9
83.05042	1.3
89.40740	1.1
95.05010	5.5
103.02372	1.2
106.04265	1.6
109.06579	10.3
121.06583	4.0
123.08149	7.6
133.10193	1.3
135.08119	1.7
137.04318	1.1
149.09689	2.1
161.09721	2.5
175.11256	2.8
180.63556	1.1
189.12872	5.5
209.50221	1.2
243.17537	34.7
287.16571	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00922	2.8
67.03011	1.0
68.30238	0.6
77.47684	0.8
84.02038	1.0
90.92760	0.6
94.04082	1.0
99.00878	4.8
116.03574	1.0
118.05087	1.3
123.09292	4.5
124.56571	0.7
136.08752	1.3
138.09439	0.8
138.10385	11.6
143.97400	0.6
154.09860	100.0
175.11087	0.6
186.12402	1.3
192.79218	0.6
201.28709	0.6
235.28458	0.6
285.03210	0.7
287.17337	4.4
293.89890	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.5
57.00931	3.1
67.03007	1.2
72.00897	0.5
79.82634	0.5
80.32191	0.5
84.02042	1.1
94.04098	1.9
95.02488	0.8
98.72833	0.4
99.00870	7.8
100.04037	1.9
109.07727	0.7
111.09222	0.7
115.26651	0.4
116.03517	0.9
118.05093	2.2
123.09280	4.4
130.02362	0.5
136.08820	1.1
138.10371	14.2
154.09862	100.0
178.85095	0.6
182.73611	0.6
202.17792	0.5
208.27489	0.5
255.14665	1.9
268.94318	0.5
287.17288	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	287.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.5
57.00932	2.7
67.03007	1.1
69.86771	0.4
70.10953	0.5
72.00906	0.8
78.90201	0.4
82.04098	0.8
83.97793	0.5
84.02019	2.2
94.04098	2.1
96.24304	0.4
98.12740	0.4
99.00887	6.0
100.04052	0.5
101.14243	0.4
111.09266	1.0
116.03522	1.0
118.05109	1.8
123.09303	4.1
136.08800	2.0
138.10364	14.1
150.50725	0.5
152.08250	0.6
154.09859	100.0
168.06686	0.5
189.74878	0.4
243.09775	0.7
243.38574	0.5
287.12396	0.5
287.17313	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	287.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	4.6
56.02531	4.6
57.03440	3.9
58.04099	7.3
59.01370	1.7
71.01379	1.1
74.03590	49.9
85.02946	19.7
86.02495	5.7
92.23060	1.4
95.03310	1.2
95.82988	1.0
98.02492	4.8
99.00880	21.3
99.08162	9.3
101.02447	5.4
103.04018	21.9
113.09732	27.4
116.03535	4.4
118.05103	2.5
126.09260	5.1
128.10832	1.8
138.12895	24.9
140.10873	2.0
150.12926	2.0
154.09898	6.2
154.12401	7.2
162.75221	1.0
166.12305	1.1
194.61230	1.3
195.15425	1.3
212.12968	8.4
230.13974	100.0
239.74577	1.2
245.15004	8.3
287.17337	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	287.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66584	0.6
57.03444	4.0
57.40813	0.5
57.88272	0.6
59.01365	0.6
63.99584	0.6
80.04674	0.6
80.12090	0.6
85.06589	6.4
97.06586	17.5
115.07623	3.5
125.09692	3.6
127.11300	1.2
155.14519	0.9
157.66634	0.7
161.23259	0.7
166.45068	0.6
167.14413	0.8
171.10266	42.8
174.83710	0.6
183.13896	4.8
193.12325	2.4
201.11307	1.4
211.13405	29.1
229.14455	12.5
251.16614	1.0
287.15421	4.2
287.18665	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08363	0.4
52.97079	0.4
53.00913	0.5
57.03444	5.0
59.01380	0.7
68.91260	0.5
74.24291	0.4
79.68587	0.5
85.06598	8.0
85.59130	0.6
90.31386	0.6
97.06585	18.3
113.06098	1.9
114.29749	0.5
115.07644	2.6
125.09711	1.1
127.11287	1.3
131.27155	0.5
138.51025	0.5
140.70543	0.5
148.21851	0.5
150.14436	0.6
154.95224	0.6
171.10272	58.6
183.13933	1.2
185.11751	0.9
201.11479	2.0
208.36295	0.5
209.11797	0.7
211.13425	16.2
213.11398	0.7
216.49046	0.5
227.12837	0.6
229.14461	7.1
235.77733	0.6
251.16310	0.7
287.18674	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33279	0.2
55.01828	0.2
56.62206	0.2
56.79151	0.3
57.03456	4.0
58.02956	0.4
58.05092	0.3
58.88605	0.2
61.86826	0.2
65.81672	0.3
69.03432	0.3
74.84425	0.3
79.55116	0.3
83.05016	0.4
84.04537	4.0
85.02966	0.4
85.06590	3.3
86.02441	0.3
86.76379	0.3
87.04498	0.3
97.06586	7.0
98.01762	0.3
98.06113	0.5
98.66811	0.3
99.00883	0.5
112.04059	0.7
112.07676	1.6
113.06106	0.6
115.07684	0.6
118.05095	0.6
125.09745	3.5
127.11309	2.6
142.05087	6.4
144.10274	0.7
154.08241	0.4
155.14415	1.1
165.12859	0.6
167.10757	0.5
167.14391	2.2
171.10277	19.2
183.12433	0.5
183.13913	7.4
185.11818	0.7
193.12302	2.1
199.13368	0.4
209.11879	2.3
211.13411	46.2
213.11388	0.6
213.88094	0.3
229.14464	24.3
251.16487	2.4
269.17624	1.7
287.18677	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	287.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41566	0.7
56.45632	0.6
56.66232	0.6
56.73201	0.6
63.69541	0.7
85.06580	4.5
87.00860	4.5
87.04482	2.8
88.80148	0.6
89.60413	0.7
97.06596	1.2
113.06088	3.2
120.31915	0.7
120.58829	0.7
125.09709	4.5
127.11259	1.4
139.11276	1.2
155.10796	1.6
165.09253	2.8
169.12277	1.3
171.10269	21.5
171.11693	1.1
181.15996	1.4
185.11864	1.6
199.09785	1.2
199.13411	12.2
201.11330	32.7
206.64157	0.8
211.13350	5.2
213.11342	3.8
225.14972	81.2
251.16460	5.2
269.17688	1.4
287.15231	9.0
287.18649	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96675	0.4
55.68039	0.4
57.03442	1.8
59.01373	2.9
72.75932	0.4
73.00927	0.5
80.90577	0.4
85.02959	1.0
87.04502	9.9
88.33761	0.4
89.71556	0.4
90.94904	0.5
97.06597	0.6
101.02422	1.1
107.23688	0.4
125.02427	0.5
125.09705	3.0
155.14377	0.7
169.12334	7.0
171.10265	2.3
181.12366	7.5
183.13872	2.1
185.11864	1.7
189.16568	0.5
192.84505	0.4
193.12399	2.3
195.10265	0.5
197.11909	2.2
199.13414	25.5
201.11285	2.7
211.13409	22.9
213.11328	2.5
229.14420	2.8
233.15463	0.9
251.16533	5.7
269.17664	3.6
287.18671	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2228
Annotation	10,16-Dihydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
58.00613	0.3
64.26027	0.3
65.97662	0.3
73.33409	0.3
83.17729	0.3
113.09717	3.0
121.79833	0.3
125.09698	0.6
127.11254	2.5
141.09286	0.4
143.10780	3.4
150.39459	0.3
155.10788	0.8
157.12334	0.5
171.10281	1.7
201.11353	2.2
241.21707	0.7
251.20219	2.6
269.21252	13.3
284.98224	0.3
285.20703	6.0
287.22302	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	287.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.4
67.40334	0.4
67.67038	0.4
82.51101	0.4
92.88069	0.4
94.28603	0.4
99.08170	0.9
99.66992	0.4
129.09181	0.6
141.12860	0.9
141.47591	0.4
150.88332	0.5
241.21640	0.7
241.30470	0.4
260.14877	0.4
269.21356	4.0
285.20624	1.0
287.22299	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	287.223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68637	0.5
58.00596	1.1
59.01367	0.5
64.66177	0.5
83.05016	2.1
85.06587	9.2
95.18477	0.5
97.06570	0.7
101.06062	1.0
113.06102	4.2
115.07639	10.4
138.76207	0.6
155.14432	12.2
161.36700	0.5
183.13866	0.6
185.15434	7.4
211.20613	0.6
223.20554	1.2
241.21808	6.7
251.20088	0.7
267.19678	0.8
269.21155	4.6
285.20773	1.1
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	288.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43533	1.3
73.04066	27.6
74.02468	52.6
82.06545	2.1
88.04029	77.5
89.96165	1.4
100.00177	1.6
125.10814	2.0
130.08696	2.0
139.08827	2.2
140.07172	6.6
141.10353	14.5
143.11897	36.9
147.18671	1.5
152.07146	3.3
157.13477	12.1
169.09834	31.9
169.13603	2.3
181.09793	2.2
187.10873	6.5
199.10898	11.0
200.14067	28.3
201.12581	2.5
214.15637	6.8
244.13036	78.9
247.94043	1.6
258.14532	11.5
274.07410	1.7
288.15677	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0697
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.0
59.11547	1.7
71.01381	3.4
72.00912	2.9
87.00887	10.7
87.98338	2.2
89.02488	2.4
97.00386	3.0
98.94899	9.4
99.02020	2.7
100.94594	35.9
113.03584	3.7
115.00421	2.8
124.99919	2.3
133.01419	10.2
142.02600	16.7
142.96603	24.2
143.02025	3.2
149.04567	10.9
155.04648	2.6
156.99911	3.3
157.15523	2.0
160.97652	14.9
168.99794	2.1
172.97691	2.4
172.99420	3.8
173.10603	2.3
174.99257	14.4
184.97690	95.5
186.97375	4.1
187.98735	8.6
191.05693	8.2
198.99239	4.1
201.00807	2.8
202.98755	100.0
226.98730	4.3
229.01497	14.4
231.01743	2.2
233.03424	5.0
244.99757	3.2
270.97769	3.4
271.10681	3.3
289.06943	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	289.083
Annotation	N2-Malonyl-D-tryptophan
Peak:m/z	Relative Intensity
55.54902	0.6
56.91478	0.7
58.02979	11.7
62.10497	0.7
70.02982	10.0
70.89334	0.8
72.00907	1.6
72.04537	1.6
74.02469	54.4
76.46106	0.7
78.38807	0.7
98.02480	13.7
116.03523	18.5
116.05035	20.2
130.06607	3.0
142.06651	5.4
155.51193	0.8
159.09293	8.1
167.22684	0.7
183.09302	1.4
186.05612	2.6
196.12756	0.8
196.84784	0.8
201.10342	5.2
203.08275	77.0
218.21545	0.9
245.09306	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0833
Annotation	N2-Malonyl-D-tryptophan
Peak:m/z	Relative Intensity
54.37326	0.8
59.12717	0.8
62.99176	0.9
71.01373	10.1
72.97732	0.9
77.59389	0.9
88.04032	100.0
108.70683	1.0
114.01955	3.6
115.00359	20.0
120.36833	0.9
130.06654	1.3
132.03020	64.0
146.06111	6.0
156.04533	13.3
173.07181	18.7
174.05618	15.7
206.17592	1.0
245.09367	8.4
271.07254	2.0
289.08328	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	289.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	7.0
71.01366	0.6
71.77024	0.4
72.64540	0.4
75.00872	1.8
89.02446	0.5
101.02448	0.7
101.61053	0.4
109.06587	3.4
111.08122	0.5
117.01905	0.7
127.07647	100.0
135.02992	16.7
150.05544	0.5
171.06638	28.2
247.11948	0.7
270.20041	0.5
289.03146	0.5
289.09329	17.6
289.16461	0.5
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	Unknow
Peak:m/z	Relative Intensity
55.30637	0.8
59.01379	3.5
64.65038	0.7
71.01393	1.3
78.97709	1.0
80.37798	0.8
88.19544	1.0
92.23101	1.4
95.04985	1.1
98.12271	0.8
101.06071	1.4
108.04553	1.4
111.08185	0.9
120.04495	1.0
121.80939	0.9
122.06097	4.5
134.06126	2.2
136.04039	1.5
145.05104	1.1
145.08652	1.3
150.05624	5.4
170.29967	1.0
184.07660	4.1
185.08347	1.1
185.09731	4.1
188.04701	1.6
199.08768	2.2
200.10843	5.2
212.05853	9.6
213.06659	5.8
215.08263	1.9
226.07460	0.9
227.08266	33.9
228.08946	57.7
229.09848	4.5
232.11971	1.7
242.10718	1.7
243.11412	11.0
256.08578	4.7
259.10959	1.0
271.10922	100.0
289.11972	35.7
289.16614	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	289.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30637	0.8
59.01379	3.5
64.65038	0.7
71.01393	1.3
78.97709	1.0
80.37798	0.8
88.19544	1.0
92.23101	1.4
95.04985	1.1
98.12271	0.8
101.06071	1.4
108.04553	1.4
111.08185	0.9
120.04495	1.0
121.80939	0.9
122.06097	4.5
134.06126	2.2
136.04039	1.5
145.05104	1.1
145.08652	1.3
150.05624	5.4
170.29967	1.0
184.07660	4.1
185.08347	1.1
185.09731	4.1
188.04701	1.6
199.08768	2.2
200.10843	5.2
212.05853	9.6
213.06659	5.8
215.08263	1.9
226.07460	0.9
227.08266	33.9
228.08946	57.7
229.09848	4.5
232.11971	1.7
242.10718	1.7
243.11412	11.0
256.08578	4.7
259.10959	1.0
271.10922	100.0
289.11972	35.7
289.16614	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	289.166
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36690	0.9
59.01366	1.0
66.34911	0.8
67.51057	0.8
74.00138	0.9
76.71796	0.8
83.05032	2.1
97.06566	1.0
112.72250	1.0
116.05070	0.9
125.09724	5.3
153.09227	1.3
156.64845	0.9
171.10272	22.5
201.11308	1.1
209.15469	16.8
211.13527	1.1
227.16541	34.5
229.14445	12.1
243.16010	2.0
245.17662	8.1
253.14342	2.2
271.15533	18.8
289.16589	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1658
Annotation	oscr#14
Peak:m/z	Relative Intensity
55.01865	0.9
57.03461	6.2
59.01383	73.0
63.64275	0.7
67.82253	0.6
68.99778	0.8
74.02461	1.2
83.01408	1.3
83.05032	4.1
84.02154	3.1
85.02945	84.4
99.08164	0.7
101.06064	1.0
109.06562	4.2
111.04516	5.6
129.09213	1.7
142.69470	0.8
191.14465	0.9
203.08255	1.3
229.22760	0.7
245.09315	3.8
271.15546	1.2
289.16608	100.0
311.00995	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03713	1.6
57.03428	2.2
66.56236	1.7
71.01357	2.2
71.05021	16.7
92.22517	4.7
97.06578	11.3
99.00867	4.9
109.00952	2.0
119.08685	2.2
123.08178	8.1
125.09719	100.0
144.96025	1.9
153.09229	3.0
153.12875	4.4
163.11266	42.2
172.58105	2.1
179.10741	2.9
181.12349	79.6
207.10283	17.1
213.14955	16.9
225.11371	42.3
239.12822	4.2
257.13937	77.9
257.16611	2.9
289.16296	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	289.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92431	1.7
59.01382	3.5
60.13455	2.1
71.05008	14.5
89.87183	1.9
97.06602	5.1
108.56010	1.9
170.00270	2.3
288.67731	2.4
289.18137	100.0
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	Ala Ala Lys
Peak:m/z	Relative Intensity
64.10659	1.1
70.85406	1.1
80.99817	1.2
86.16989	1.3
106.04236	1.8
109.06563	10.8
119.41071	1.2
123.08163	1.6
145.06625	4.5
167.10771	1.3
221.03522	1.3
245.19136	8.9
287.16483	1.5
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	291.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52688	1.3
55.01888	2.3
57.03450	2.2
59.01381	100.0
60.54934	1.7
61.59052	1.6
67.05531	3.4
70.73602	1.4
71.01377	56.1
73.02942	14.4
83.01386	7.8
85.02945	24.1
88.52978	1.8
89.02435	57.5
91.25043	1.6
95.01394	6.8
99.00867	3.7
101.02444	57.3
111.04500	8.3
113.02435	35.6
119.03474	14.2
129.05537	2.6
134.03737	1.8
161.04576	15.8
179.05568	3.3
247.12000	20.6
249.93878	2.0
291.10907	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	291.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.8
60.52765	0.5
67.16007	0.5
91.03986	0.8
126.49313	0.6
127.11308	0.9
137.09711	4.3
153.09230	0.6
155.10783	69.8
160.20117	0.6
171.09134	0.8
171.10271	45.2
199.09756	13.8
217.10825	76.7
234.59259	0.7
241.27545	0.7
291.14536	100.0
312.99579	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55711	0.6
54.53077	0.9
59.01383	100.0
66.80920	0.8
71.01380	6.5
71.85551	0.7
73.02946	4.5
73.10843	0.8
73.11242	1.0
78.97868	0.8
83.01376	1.0
85.02943	4.5
101.02431	11.7
101.38821	0.8
107.80605	0.9
113.02448	4.4
116.73317	1.0
126.26395	0.9
128.03116	0.9
128.99278	1.2
152.91264	0.9
161.04529	3.8
249.13426	15.7
291.09225	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	291.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12964	1.0
51.36657	0.8
57.09692	0.7
59.01396	2.0
67.59288	0.8
68.47182	0.8
75.76139	0.8
91.03988	1.7
92.62169	1.0
95.64184	0.8
111.08186	0.8
117.54542	0.9
129.23143	0.9
137.09734	5.2
153.09227	1.2
155.10777	66.0
171.10272	41.4
199.09766	13.5
217.10814	71.5
224.10777	0.9
279.23013	0.9
291.14532	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1814
Annotation	B-Octylglucoside
Peak:m/z	Relative Intensity
51.48952	5.8
59.01380	51.5
64.94529	7.3
71.01379	60.8
73.02936	29.9
83.01378	14.6
85.02953	56.8
96.55830	7.3
99.00866	8.3
101.02417	100.0
113.02422	28.8
161.04536	30.5
198.16586	8.0
291.18130	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	291.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75390	1.8
52.69199	2.1
54.39119	2.5
55.01873	5.9
57.03455	3.0
59.01103	3.8
59.01383	84.5
71.01374	71.3
73.02940	38.7
81.77655	2.4
83.01388	19.6
85.02939	47.9
86.00063	3.0
94.11603	2.4
95.01366	4.5
99.00869	11.7
101.02439	100.0
113.02438	43.1
126.17741	2.9
131.00502	2.3
158.58337	2.5
159.02960	5.6
161.04561	29.4
191.57961	3.3
291.18250	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	291.1967
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
55.51937	0.7
59.01385	1.5
63.29477	0.7
75.45428	0.9
86.29053	0.8
88.00234	0.7
107.65835	0.8
119.08668	9.4
119.35515	0.8
121.10220	4.2
125.09780	1.2
133.15701	0.7
136.11644	0.8
137.09753	1.8
139.11288	1.0
149.09711	1.3
151.11267	1.4
163.11310	1.1
171.10242	9.6
185.11810	5.7
211.13393	3.3
229.19635	2.1
238.41193	0.8
273.18625	22.2
291.19687	100.0
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
50.22399	1.6
58.71880	2.0
66.11756	1.7
74.44955	2.0
77.30303	1.9
79.95730	2.4
93.00719	1.9
94.82310	1.8
99.47496	2.0
119.08640	20.6
121.02950	2.2
121.10223	9.8
138.90120	2.0
144.17886	2.6
150.96445	2.1
151.11227	2.1
171.10234	16.5
185.11804	4.6
220.26355	2.1
229.19612	3.7
239.11940	2.2
273.18600	28.0
291.16632	3.8
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	291.197
Annotation	12-OPDA
Peak:m/z	Relative Intensity
59.47218	0.8
78.62601	0.9
79.04234	0.8
81.97442	0.9
102.04794	0.8
102.09896	0.7
148.08992	0.9
150.10420	1.1
165.12828	19.2
174.55182	0.8
212.80696	0.9
247.20665	11.7
273.18628	5.4
291.19693	100.0
308.55222	0.9
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
50.94260	0.6
55.65073	0.7
59.01384	3.5
60.65596	0.6
71.05017	21.0
78.29398	0.7
97.06595	8.8
109.14510	0.9
121.10207	1.0
181.12384	1.0
195.13942	1.9
207.13947	3.0
219.13892	3.4
235.17018	5.4
247.20654	1.1
262.52917	0.8
273.18909	1.1
290.51480	0.9
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	9-OxoOTrE
Peak:m/z	Relative Intensity
54.07860	0.6
57.03453	1.3
72.97823	0.6
86.16531	0.6
92.23144	0.7
96.14149	0.6
97.06612	1.3
104.63531	0.7
106.45343	0.6
107.17477	0.6
121.10226	18.0
125.09727	6.7
141.12801	0.9
178.33000	0.7
185.11836	16.8
197.11792	4.3
197.26923	0.7
209.11737	1.2
211.13367	2.8
247.20641	1.0
273.18466	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	Unknow
Peak:m/z	Relative Intensity
50.53857	1.3
54.29972	1.5
58.00588	7.8
59.01378	3.6
66.80706	1.5
73.02931	24.5
83.05036	2.0
84.02169	2.8
90.17422	1.6
97.06631	4.9
111.08157	2.0
121.10201	3.8
125.06068	3.9
125.09719	2.0
127.07583	2.2
139.07642	3.7
177.36058	1.9
185.11833	3.7
242.19301	1.9
254.08649	1.6
255.21130	3.9
261.22144	2.9
263.23773	8.5
273.22266	25.0
291.16525	4.0
291.19705	51.4
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	291.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47607	1.1
54.69540	1.2
57.03437	1.6
58.00592	8.9
59.01373	2.7
59.03678	1.3
73.02939	26.8
83.05024	1.4
84.02162	6.3
84.84286	1.2
85.02946	1.6
97.06583	1.9
105.01523	1.3
111.08153	2.7
113.06078	1.8
113.94840	1.2
125.06094	3.1
127.07661	1.8
139.07620	2.2
139.11295	1.8
155.14450	2.0
166.18195	1.3
183.10307	1.4
185.11810	1.4
191.22273	1.4
255.21237	5.6
261.22275	3.3
263.23764	10.2
264.26440	1.5
273.22250	27.9
291.19736	25.9
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	292.1304
Annotation	Gln Phe
Peak:m/z	Relative Intensity
58.02971	3.4
64.43583	1.8
70.02972	7.7
70.49109	1.8
73.04051	32.1
73.04372	2.1
76.12607	1.9
85.04036	1.9
90.91260	1.6
91.05526	3.5
109.04061	4.2
120.01254	2.6
126.06698	8.3
127.05103	18.4
144.07776	22.0
147.04503	13.2
164.07161	27.6
177.10387	4.2
230.13014	2.7
286.41962	2.0
292.10291	5.5
292.13092	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36522	1.1
59.01356	1.5
65.82246	1.2
71.02503	11.7
72.00903	2.9
77.73914	1.1
84.04539	6.9
91.05505	14.1
91.05964	1.0
102.05595	26.4
111.66830	1.3
113.07211	17.5
127.05111	3.1
128.03525	46.8
146.04568	5.7
146.06096	6.5
147.04533	17.0
163.08736	2.5
164.07161	82.6
188.10806	9.7
231.11369	6.7
249.12399	20.6
275.10422	30.4
293.08160	3.4
293.11447	100.0
293.21198	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	293.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	12.1
63.11276	1.8
66.98022	1.9
70.23399	1.9
71.01382	5.2
72.00893	4.2
72.07569	1.9
73.04088	2.6
80.52271	2.1
84.04578	1.8
85.02979	2.7
87.05606	4.3
89.02456	10.0
91.05537	22.9
99.05632	2.4
101.02431	3.9
101.07201	12.3
102.55606	1.8
109.04063	11.9
119.05046	10.1
119.79027	2.1
127.04248	3.5
127.05130	61.9
128.03554	5.2
129.10324	39.4
147.04530	25.4
156.18843	2.0
163.04008	3.4
164.07169	100.0
180.06613	15.9
187.32109	2.2
201.77618	2.1
205.13516	3.0
207.11397	8.8
214.08795	3.0
227.56737	2.2
231.11296	3.5
249.12332	4.5
249.16019	3.9
275.10434	65.8
293.11584	65.6
293.15137	46.5
293.21194	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	293.1146
Annotation	Phe Glu
Peak:m/z	Relative Intensity
51.59546	0.7
53.55618	0.7
57.01681	0.7
57.03444	4.0
59.01382	38.4
63.21371	0.9
67.45581	0.9
71.01378	14.9
85.02957	5.6
89.02435	24.6
99.04523	4.7
99.92626	0.9
101.02438	15.3
110.06110	33.9
110.06837	1.8
112.04054	11.4
113.02431	9.1
113.06070	4.8
119.03481	7.2
120.04562	1.8
122.06111	1.1
123.03262	7.8
124.04028	12.6
131.07195	3.6
136.07713	9.7
137.06102	1.3
138.05608	100.0
140.07167	6.8
142.68393	0.9
161.04608	1.0
182.04630	3.6
183.05403	1.4
184.06137	19.3
190.21736	1.1
231.11359	11.1
275.10541	1.7
293.08246	2.8
293.12317	58.9
293.21265	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	293.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.9
57.26414	1.4
59.01379	23.0
59.66798	1.1
71.01383	15.8
71.04126	1.2
72.00896	5.1
72.76850	1.4
73.04078	3.4
73.05058	1.3
77.46322	1.6
82.02989	1.6
84.04543	1.6
85.02938	23.7
85.03367	1.8
89.02438	17.9
89.66621	1.7
91.05534	18.9
91.69103	1.3
99.05639	2.1
100.00401	16.7
100.04050	1.7
101.02443	8.1
101.07185	19.7
109.04070	8.9
113.02443	6.9
119.03482	7.2
119.05018	7.6
127.05128	57.2
128.03543	7.5
129.01958	1.6
129.10352	26.6
131.07118	1.9
136.07666	1.3
136.70306	1.3
137.84204	1.6
144.03020	6.4
147.04533	28.7
148.06320	8.2
163.04004	2.7
164.07179	100.0
180.06693	8.4
191.01973	8.1
205.13512	2.0
214.08797	3.2
231.11449	3.1
249.12411	1.6
249.16116	2.5
275.10413	55.9
275.13385	1.8
282.09213	1.8
293.11685	61.8
293.15158	31.7
293.20993	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	293.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26144	1.4
59.01381	100.0
63.48426	1.3
70.37810	1.5
71.01375	58.5
72.99313	1.8
82.99087	1.7
85.02944	8.2
89.02435	86.1
90.08723	1.5
93.50429	1.6
94.83727	1.9
95.01354	1.8
101.02438	34.4
113.02448	26.7
113.06076	50.5
119.03479	31.4
130.05949	1.7
131.07123	14.7
133.75536	1.6
136.21121	1.7
143.03493	2.7
159.78694	1.7
161.04562	2.3
168.68642	1.9
179.05640	16.7
216.50575	1.8
272.53845	2.1
293.12436	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	293.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95909	0.7
57.03442	1.1
58.00609	1.0
58.98865	0.8
59.01379	59.7
61.49248	0.8
66.71710	0.8
68.40279	1.1
71.01382	27.5
71.01737	2.0
73.02951	0.9
73.56687	0.9
83.01364	1.8
85.02943	13.8
89.02438	33.5
91.66893	1.0
99.00896	4.4
101.02442	24.1
101.07188	2.0
109.04081	1.2
113.02447	13.8
113.06081	4.2
114.27663	1.1
115.91253	1.1
119.03507	13.4
127.05136	6.1
131.07129	9.0
142.33833	0.9
147.04576	1.5
164.07187	8.7
177.39571	1.0
179.05629	1.2
180.06453	1.2
185.57397	1.0
213.36354	1.1
275.10507	5.7
275.84271	1.0
293.12457	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37307	0.5
54.40316	0.7
57.95514	0.6
59.01382	1.1
60.31301	0.6
71.01374	1.0
73.04054	1.0
89.02441	1.5
95.14889	0.6
106.04246	1.5
107.05023	18.3
107.05741	0.8
119.05022	3.1
119.81504	0.7
130.08731	50.0
131.07141	3.0
141.10355	16.1
143.11888	4.0
179.08136	0.8
187.10887	10.2
232.13458	5.9
249.16069	1.4
293.12463	4.0
293.15118	100.0
306.68900	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.4
96.96001	4.2
114.43976	0.5
121.02914	0.8
121.10213	2.3
122.03736	4.2
136.05312	1.0
136.93788	0.6
168.04251	0.6
171.10283	2.7
172.61070	0.6
183.10251	4.5
209.15492	0.6
220.14740	3.2
221.15503	7.2
231.17542	2.2
231.21069	0.6
233.15491	0.8
235.17055	10.3
236.10605	4.9
249.18608	22.8
249.31447	0.6
275.16547	25.7
275.20154	13.2
293.17612	100.0
293.21185	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	293.1763
Annotation	Phytuberin
Peak:m/z	Relative Intensity
53.20137	0.6
59.01375	1.6
65.19293	0.7
85.43204	0.7
99.00882	3.8
102.21289	0.8
108.24241	0.7
110.93768	0.7
113.09729	1.8
136.07932	1.4
136.08939	32.0
139.11301	0.9
147.15273	0.7
167.06757	0.7
185.11873	1.1
192.11571	32.7
192.13318	1.5
193.15985	100.0
220.14703	4.7
221.15480	9.1
231.17682	1.0
235.17059	6.6
236.10582	7.3
249.18597	37.0
275.16870	0.9
275.20200	8.0
290.36520	0.9
293.17606	63.0
293.21225	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1794
Annotation	Embelin
Peak:m/z	Relative Intensity
57.46531	0.4
63.69638	0.3
70.55823	0.3
75.76837	0.4
79.95745	0.4
96.96002	71.1
138.33316	0.4
211.26506	0.4
221.98177	0.4
232.85591	0.5
261.79285	0.4
293.17953	100.0
296.95273	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70814	1.1
57.32338	1.0
58.24638	1.3
62.57191	1.0
66.08856	1.2
70.10703	1.2
70.75433	1.3
90.31367	1.2
97.40759	1.2
120.20750	1.1
130.08301	1.0
139.11284	4.7
153.12851	2.2
161.75781	1.2
191.18042	5.5
247.20650	2.6
293.21237	100.0
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	2.6
59.01382	1.6
67.25352	0.6
78.31614	0.7
82.46281	0.6
96.83690	0.6
101.51894	0.7
110.61726	0.6
113.09721	25.9
134.81287	0.7
139.11255	1.5
167.10782	4.5
177.12888	1.3
179.10797	1.6
195.13930	5.0
221.15404	0.9
246.97972	0.7
247.48094	0.7
249.22249	1.2
275.20084	1.0
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	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96163	0.5
54.07286	0.6
57.03456	1.2
59.55760	0.5
73.10865	0.6
94.12362	0.6
95.82009	0.6
96.96026	1.1
97.06556	0.7
114.65726	0.6
125.09733	5.0
149.09732	2.5
171.10278	0.6
185.11818	12.2
197.11861	3.5
200.26099	0.7
211.26193	0.6
221.15491	1.5
236.10408	1.2
249.22356	0.8
275.20023	1.0
293.21243	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	293.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63929	0.7
57.03441	1.3
57.28320	0.9
59.01377	4.1
62.73052	0.9
68.88995	0.8
70.50331	0.8
89.00299	0.8
89.52642	0.7
113.09708	18.9
124.12096	0.9
139.11279	1.4
167.10733	1.7
179.10713	1.0
195.13919	4.8
223.13779	0.9
223.17285	0.9
234.34302	0.8
235.17004	14.6
249.22237	1.0
265.04462	0.8
275.20154	15.0
277.36710	1.0
287.29840	0.9
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	293.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.5
58.81414	0.7
59.01371	4.0
60.37805	0.7
67.89613	0.8
73.18884	0.9
78.56757	0.8
102.14360	0.8
111.19645	0.8
113.08965	1.0
113.09719	20.3
121.10207	3.5
125.09623	0.9
139.11308	1.6
167.10686	3.4
171.10240	11.8
175.39706	0.9
179.10808	3.9
195.13945	4.3
219.68233	0.8
249.22246	4.4
275.20200	17.5
293.21240	100.0
313.41428	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02672	0.7
60.63379	0.8
69.65880	0.8
78.36243	0.8
94.41711	0.7
97.06570	0.8
97.65886	0.8
121.10207	0.9
125.09708	5.9
137.25984	0.9
141.12816	1.1
149.09734	2.1
185.11845	12.5
185.54230	0.8
197.11870	4.3
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	293.2125
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
50.57199	0.6
59.52321	0.8
64.55139	0.6
65.75584	0.7
68.00336	0.6
86.18258	0.7
102.83587	0.8
155.33153	0.8
179.14424	1.1
189.66925	0.7
195.13931	10.3
196.14685	1.4
199.16524	0.9
223.13426	9.6
256.13080	1.7
275.20169	6.8
290.87003	0.7
293.21252	100.0
294.73572	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2125
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
59.75542	0.9
75.61254	0.8
84.77637	0.9
85.13252	0.7
87.33469	0.9
98.13487	0.9
117.61353	0.9
121.10213	25.5
155.10776	1.5
171.10262	48.6
177.16498	1.1
177.68184	1.0
183.10287	10.7
183.13948	11.9
185.11751	2.2
211.13481	2.1
231.21138	2.2
235.17120	1.6
275.20190	80.9
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	293.249
Annotation	14-methyl palmitic acid
Peak:m/z	Relative Intensity
92.39710	0.4
96.96006	0.8
106.04091	0.9
113.09730	0.6
113.26315	0.5
113.91234	0.6
115.03008	0.5
167.10635	0.6
220.14711	1.9
221.15445	3.0
236.10544	3.2
293.17987	2.0
293.21420	7.5
293.24872	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	294.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37518	2.2
51.30799	2.5
55.27327	2.4
55.96405	2.3
60.63201	2.9
95.51591	2.7
109.13789	3.4
111.56515	3.1
121.10220	26.0
122.10513	26.1
163.84256	2.9
164.13547	3.1
171.10262	36.8
172.10597	37.1
232.21811	4.9
276.17746	5.0
276.20505	99.9
281.31253	2.8
294.21594	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	2.0
58.02961	0.9
60.01707	0.9
61.49456	0.8
64.08069	0.8
71.17764	0.9
86.54724	0.8
96.02898	1.0
103.49200	1.0
113.09698	5.7
114.10091	1.2
125.09658	1.3
141.12843	2.1
142.38536	1.1
167.14388	10.0
172.31531	0.9
179.14455	1.5
185.11848	1.4
186.12161	2.3
193.16054	8.2
196.64566	1.0
208.17082	1.3
226.18172	10.4
276.20529	2.4
276.23386	1.1
294.21530	100.0
294.24478	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	294.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37518	2.2
51.30799	2.5
55.27327	2.4
55.96405	2.3
60.63201	2.9
95.51591	2.7
109.13789	3.4
111.56515	3.1
121.10220	26.0
122.10513	26.1
163.84256	2.9
164.13547	3.1
171.10262	36.8
172.10597	37.1
232.21811	4.9
276.17746	5.0
276.20505	99.9
281.31253	2.8
294.21594	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.14
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55790	0.4
59.01383	100.0
59.45813	0.4
67.34142	0.4
71.01389	0.9
83.27890	0.4
101.02502	1.5
107.55432	0.5
113.02452	0.6
136.10783	0.6
235.11925	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	295.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
69.35765	0.4
73.02943	0.4
85.02956	0.8
88.07971	0.5
100.68951	0.6
101.02447	3.7
113.02473	0.7
131.07202	0.5
132.25710	0.6
141.32607	0.5
229.62611	0.5
235.11838	6.6
243.40245	0.6
256.70651	0.6
268.19434	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54863	0.3
59.01382	100.0
69.11481	0.4
69.59370	0.4
71.01384	1.1
73.02937	0.5
78.57887	0.4
83.01353	0.4
86.25453	0.4
92.23044	0.4
92.88299	0.4
101.02412	3.4
101.46286	0.4
113.02435	0.6
119.05035	0.9
145.02925	0.6
159.66841	0.4
163.04025	2.0
222.11261	0.6
235.11899	6.2
243.95708	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84875	1.6
52.73721	1.6
56.02530	9.8
58.04104	2.3
59.01381	13.2
72.12263	1.9
74.03597	33.0
91.30676	2.1
96.00205	2.5
99.00882	16.8
136.11319	100.0
194.15576	2.6
197.51965	2.1
220.13438	35.6
238.14508	46.2
253.15642	3.7
295.17838	66.3
295.22760	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	295.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82135	1.1
56.56234	1.2
59.01384	7.7
76.51814	1.2
78.78088	1.3
88.14400	1.3
125.09695	1.8
156.89516	1.4
184.21870	1.3
204.68527	1.3
209.11896	1.8
209.15382	2.5
223.04050	1.5
233.19212	9.4
236.00888	1.5
251.20187	100.0
276.13257	1.4
277.18103	12.5
277.21298	3.2
283.73767	1.4
295.19153	80.0
295.22696	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	295.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53693	0.6
57.57080	0.7
59.01371	1.2
65.61328	0.7
95.65208	0.8
104.81560	0.8
113.09692	0.9
126.17635	0.7
133.87820	0.7
134.66478	0.7
143.03836	0.8
151.52208	0.8
164.85905	0.8
171.10286	8.2
183.10220	5.4
195.13928	14.1
264.20773	1.0
277.21747	31.4
295.22809	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	295.228
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
54.94443	0.6
59.01374	3.1
62.30238	0.5
71.81097	0.7
76.84129	0.6
87.21049	0.6
88.62809	0.6
92.22488	0.9
96.38300	0.6
101.04371	0.6
106.57829	0.7
109.97758	0.6
121.18625	0.6
142.79977	0.6
163.05190	0.6
167.71823	0.6
171.10275	38.1
171.11743	1.3
191.55139	0.7
261.23550	0.9
262.56180	0.7
275.19958	0.8
277.21747	60.1
292.85559	0.7
295.22812	100.0
295.94110	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12215	0.5
59.01383	3.1
62.53119	0.6
65.36540	0.6
69.22262	0.6
70.00062	0.6
111.22411	0.7
113.09709	2.9
179.14452	1.1
185.44370	0.7
195.13921	21.8
218.63361	0.7
261.94519	0.7
277.21713	19.9
295.22815	100.0
300.25430	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37414	0.7
52.42233	0.7
52.92704	0.8
59.01361	3.4
60.07996	0.7
70.67410	0.8
76.67347	0.7
76.84492	0.7
98.95586	1.4
156.72314	0.8
195.13931	30.2
209.15482	2.0
225.97324	0.9
277.21747	45.3
282.75562	0.9
295.17517	4.3
295.22797	100.0
308.42679	1.0
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
51.40135	0.9
59.01354	1.1
86.34819	1.0
98.95595	2.4
111.08170	1.2
171.10222	1.5
173.22823	1.0
183.12216	1.7
183.13901	66.4
277.21722	9.4
295.17590	5.7
295.22791	100.0
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
53.39258	0.6
59.01374	1.1
68.92801	0.7
77.78665	0.7
88.74512	0.7
113.09766	1.2
119.48972	0.7
133.30157	0.7
147.17104	0.8
171.03128	0.9
179.14339	0.8
183.13934	1.8
183.86388	0.8
195.13919	18.8
231.56252	0.8
252.52629	0.9
277.21753	17.6
282.65561	0.7
284.18234	0.9
292.27246	0.7
295.22809	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	295.228
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
54.44665	0.7
57.03439	1.6
73.17827	0.7
75.74466	0.9
78.79434	0.9
84.25307	0.8
125.09781	1.1
134.61688	0.9
155.14410	5.0
167.29831	0.8
171.10277	17.8
180.62585	0.8
183.10313	2.0
251.23842	1.0
277.21750	30.5
295.22800	100.0
317.18436	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
81.19223	0.4
86.25017	0.4
93.29712	0.3
96.95496	0.4
131.20160	0.4
171.92282	0.4
294.98831	0.4
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	295.2644
Annotation	Phytomonic Acid
Peak:m/z	Relative Intensity
61.83149	0.5
62.80434	0.4
70.67411	0.5
93.42796	0.5
97.34161	0.6
107.43199	0.5
116.45720	0.5
242.18381	0.6
295.23193	3.5
295.26434	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.9
67.30108	0.4
68.76322	0.5
70.83036	0.5
71.01378	0.6
84.91512	0.5
89.02425	0.6
95.24495	0.5
98.02474	0.6
101.02474	0.8
106.02882	2.0
107.03673	0.5
108.02061	0.8
121.05170	6.3
133.01564	11.6
149.03436	3.8
150.02997	1.0
150.04211	34.1
164.05785	100.0
174.04324	0.6
191.04485	2.0
198.07622	0.6
204.17831	0.6
206.06891	1.8
236.08426	0.5
296.10022	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	296.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33454	0.6
59.01371	1.5
69.33627	0.6
71.19241	0.6
71.38840	0.6
87.87388	0.7
92.22565	0.7
92.30290	0.6
113.09753	0.7
119.86341	0.6
129.72169	0.7
139.04095	0.6
195.13927	6.4
196.14230	11.9
278.22058	21.6
296.23141	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0472
Annotation	Quinalphos
Peak:m/z	Relative Intensity
63.16637	0.9
74.99070	1.3
92.22517	1.4
93.00113	1.1
103.96484	0.9
149.00948	53.5
174.60223	0.9
223.02930	2.0
240.99030	1.3
264.98444	35.7
281.01688	11.7
282.99542	5.7
287.89987	0.9
297.04739	100.0
297.24268	7.4
299.02664	23.9
301.00745	1.4
315.05841	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	297.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94155	0.6
59.89065	0.6
67.80183	0.7
71.37140	0.7
93.03456	1.4
104.51788	0.7
109.02953	0.9
121.02949	21.7
135.04482	0.8
145.02989	0.8
146.37743	0.7
147.04491	6.2
159.04512	1.0
163.04022	1.8
175.04012	13.9
187.03960	1.5
197.06065	1.3
202.96996	0.8
203.69212	0.8
211.07759	1.3
211.73906	0.8
221.06094	1.0
223.07649	2.9
224.04703	0.8
227.16057	0.8
233.06093	1.4
237.05649	1.7
239.07278	5.7
241.08662	1.3
249.05632	1.6
250.06396	3.0
251.07137	6.7
252.07715	1.0
254.06000	1.6
261.05606	1.2
267.06586	11.0
268.07388	2.9
269.08112	11.8
279.06659	7.7
280.07480	1.4
282.08597	1.0
295.68976	0.8
295.73529	0.8
297.07709	100.0
297.10989	4.9
297.24448	3.0
306.14868	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30290	1.2
55.97362	1.1
58.04293	1.1
60.13758	1.3
88.86853	1.3
93.03434	1.7
94.86234	1.2
110.84618	1.2
116.02824	1.2
119.05046	2.8
121.02978	1.9
122.83210	1.2
130.80803	1.3
143.04997	2.1
146.98407	1.3
158.03741	15.5
173.99414	1.4
176.04787	2.5
207.08171	2.0
226.06250	1.8
227.07088	1.4
235.07594	4.7
239.07175	11.6
247.07562	5.0
248.08408	13.5
252.07892	7.0
253.06073	2.3
253.08708	63.1
263.07150	8.2
264.07941	27.9
265.08682	5.3
267.10153	5.4
279.10242	42.5
281.08206	41.7
282.09018	40.1
297.07941	8.3
297.11313	100.0
297.24414	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	297.153
Annotation	Iso-Olomoucine
Peak:m/z	Relative Intensity
51.22600	0.3
61.60700	0.3
62.24600	0.3
66.19613	0.2
92.23211	0.3
170.00438	0.5
183.01213	20.7
184.02037	0.3
197.02711	0.4
198.03592	0.6
279.23276	0.5
297.15320	100.0
297.24222	4.9
305.49252	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2436
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
57.91315	0.3
58.36342	0.3
59.01374	0.4
70.20277	0.3
102.76910	0.4
108.30514	0.4
133.09460	0.3
135.62051	0.4
141.12834	0.8
155.10773	16.1
171.10242	2.2
178.82602	0.4
218.82559	0.4
238.18607	0.4
261.22214	0.5
279.23322	21.9
295.22647	0.5
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	297.2435
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
63.87605	0.4
63.98167	0.4
90.74040	0.4
95.64903	0.4
105.69911	0.4
133.55103	0.5
197.15495	3.6
199.13405	0.7
211.17017	2.4
221.15039	0.5
265.04269	0.4
279.23340	19.3
281.97147	0.5
294.72473	0.5
295.22842	1.8
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	297.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78075	0.3
63.37120	0.3
64.87369	0.4
83.78772	0.4
99.17541	0.4
109.29726	0.4
124.20998	0.4
126.75747	0.4
127.11298	0.7
140.81267	0.4
153.12920	0.6
157.08679	3.2
169.12337	9.6
248.89326	0.4
272.07166	0.4
279.23312	18.8
295.22916	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	297.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35825	0.4
61.78340	0.3
67.66467	0.5
71.54346	0.3
77.53274	0.4
98.13272	0.4
102.99098	0.4
169.12343	5.8
183.13881	0.6
199.11357	0.4
211.17032	2.7
279.23288	17.3
295.22760	0.9
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	297.2437
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
59.01383	0.6
59.31433	0.3
60.60453	0.3
74.75639	0.4
96.50600	0.4
97.37231	0.5
101.00598	0.4
127.11255	0.5
141.01540	0.6
141.12863	1.1
144.82768	0.5
155.10756	3.6
171.10257	6.0
279.23328	10.7
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	297.2437
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
58.00598	0.3
65.64089	0.2
70.06160	0.3
122.32068	0.3
139.11316	1.2
155.14406	1.4
237.59795	0.3
253.25349	2.7
264.42786	0.3
279.23270	2.6
297.24374	100.0
310.71222	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68303	0.5
68.71534	0.5
69.68803	0.5
71.02241	0.5
146.08217	0.6
194.16257	0.6
219.72769	0.6
234.53781	0.6
249.22255	1.0
251.23824	51.0
273.23691	0.6
279.23199	3.2
297.24384	100.0
310.70337	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2437
Annotation	18-Hydroxyoleate
Peak:m/z	Relative Intensity
56.80745	0.7
57.60634	0.6
71.05014	15.5
83.05036	2.0
126.77639	0.7
207.62669	0.9
225.22295	3.4
231.20755	0.9
251.23822	4.1
253.25404	36.6
279.23410	6.5
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	297.2436
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
57.64380	0.4
67.88448	0.4
71.30094	0.4
74.82584	0.5
77.72633	0.3
79.66492	0.4
79.70830	0.4
80.57498	0.4
85.01652	0.4
95.98956	0.4
104.86611	0.5
115.08409	0.5
118.10825	0.4
136.60103	0.5
139.09227	0.4
176.71629	0.5
195.17476	0.6
209.19107	0.9
214.89665	0.7
234.26236	0.4
240.04456	0.4
253.25375	1.9
297.24362	100.0
307.16971	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2801
Annotation	Pristanic acid
Peak:m/z	Relative Intensity
63.43541	0.5
71.63399	0.8
79.95736	7.7
81.72350	0.6
85.87410	0.6
96.96030	0.8
104.01134	0.6
173.82376	0.8
297.16446	5.5
297.24518	8.2
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	297.28
Annotation	Pristanic acid
Peak:m/z	Relative Intensity
64.67386	0.9
79.95750	1.2
81.76779	0.8
88.53144	0.8
92.50959	0.9
143.29619	0.9
177.41637	1.0
286.03610	1.0
297.24500	9.9
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	298.0487
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52896	1.1
80.20247	1.1
81.05965	1.2
91.58356	1.4
100.87698	1.2
116.07124	1.5
122.94016	1.2
156.19911	1.3
177.36700	1.3
177.48407	1.1
196.17403	1.3
196.84738	1.2
255.02988	42.8
260.76950	1.5
283.02502	100.0
298.04868	45.9
298.16608	1.9
298.19998	2.1
298.24838	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	298.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21131	0.5
71.01096	0.6
84.70158	0.5
88.04035	100.0
94.73795	0.6
103.43285	0.7
120.77454	0.5
129.29892	0.5
144.87448	0.6
165.12793	2.3
192.17561	1.3
192.45718	0.5
208.17226	0.6
210.18524	0.6
236.16557	16.3
254.17636	3.6
255.02995	4.9
280.15576	10.0
283.02515	13.4
289.36572	0.5
298.04926	4.9
298.16626	41.3
315.50977	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21131	0.5
71.01096	0.6
84.70158	0.5
88.04035	100.0
94.73795	0.6
103.43285	0.7
120.77454	0.5
129.29892	0.5
144.87448	0.6
165.12793	2.3
192.17561	1.3
192.45718	0.5
208.17226	0.6
210.18524	0.6
236.16557	16.3
254.17636	3.6
255.02995	4.9
280.15576	10.0
283.02515	13.4
289.36572	0.5
298.04926	4.9
298.16626	41.3
315.50977	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0265
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.7
62.87396	0.6
64.73257	0.5
68.68643	0.6
74.85669	0.6
74.99090	0.9
75.72415	0.5
90.10764	0.5
93.03468	2.4
134.42444	0.6
137.40439	0.6
147.09897	0.6
149.00983	2.4
150.98872	26.0
152.96780	1.4
163.00401	0.8
165.01927	4.8
169.00011	0.7
178.02794	0.6
208.97658	5.8
211.24207	0.6
225.00790	2.5
227.03462	1.3
243.06621	0.8
255.03001	2.8
256.03799	3.1
264.98486	1.1
266.96414	15.8
268.94595	0.8
271.06091	7.2
281.01791	2.4
282.99527	77.7
284.03284	8.4
284.97574	0.8
299.02664	100.0
299.05667	17.2
299.18536	0.8
301.00522	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	299.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.88893	0.2
62.36406	0.2
65.00325	2.1
70.23492	0.3
89.00325	0.4
93.03451	16.1
94.00671	0.3
97.02940	1.9
107.01379	0.5
121.02931	1.5
123.04529	1.1
132.02251	0.4
133.02930	0.6
145.02992	1.7
149.99600	1.5
150.99152	0.4
151.00368	8.0
161.99617	0.3
163.00362	8.1
165.01927	33.5
178.02721	9.2
198.03221	0.3
200.04765	1.0
200.25893	0.3
206.02164	1.3
210.01714	1.4
211.04106	1.5
212.04790	5.8
218.89432	0.3
225.11401	0.4
227.03542	5.6
227.07140	0.4
228.04291	4.2
239.03552	1.6
240.04297	9.9
243.06612	12.9
255.00395	0.5
255.03015	9.1
255.06647	1.3
256.03793	13.2
269.14090	0.3
271.06146	47.6
283.02496	1.2
284.03262	31.5
298.04868	0.4
299.05640	100.0
299.26129	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67383	0.2
51.68478	0.2
51.71448	0.3
64.12222	0.3
70.46163	0.3
72.43959	0.3
83.05013	0.4
92.22570	0.4
92.68307	0.3
93.03463	0.4
95.19726	0.3
127.04083	0.3
135.00946	0.5
144.08040	0.3
148.01685	0.4
165.01884	0.6
176.01129	0.4
200.04901	0.4
207.10320	0.4
209.07988	0.4
212.04709	0.6
221.05070	0.3
225.11307	1.2
227.03508	1.7
228.04346	0.5
239.03502	0.3
240.04245	0.6
243.06487	0.4
255.03024	1.3
255.15849	0.4
256.03693	2.5
267.03159	0.4
271.06201	1.7
283.02502	1.7
284.03293	100.0
299.05640	67.8
299.15097	0.5
299.18774	0.4
299.72461	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
61.43749	0.9
63.37656	0.6
65.00314	1.6
65.27225	0.7
90.69678	0.7
93.03445	18.0
97.02947	3.0
104.91141	0.7
116.72723	0.7
121.02905	1.2
126.04324	0.7
133.02921	0.9
149.99635	2.8
151.00369	10.0
163.00395	9.0
165.01912	37.3
178.02719	11.9
211.03984	1.3
212.04791	6.6
227.03493	5.5
228.04312	4.4
238.02592	0.9
239.03593	1.7
240.04300	10.1
243.06674	16.3
255.02983	11.9
256.03772	16.5
271.06143	52.9
284.03268	30.3
299.05624	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	299.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53325	0.6
53.29797	0.4
64.24985	0.5
65.72515	0.5
82.72892	0.4
87.14055	0.5
87.30334	0.5
88.04013	0.7
93.03435	1.0
110.00079	1.2
126.86433	0.5
137.28296	0.6
161.99571	7.8
165.01971	0.7
180.93410	0.6
211.04002	2.4
212.04849	1.0
227.03516	43.4
228.04282	5.8
239.03592	0.7
240.04234	0.8
243.06560	2.9
255.03001	59.2
256.03726	17.6
264.09900	0.6
271.06213	2.5
282.99622	0.7
283.02634	1.2
284.03201	62.4
299.05603	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	299.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07804	0.2
61.90046	0.3
65.00309	0.3
70.41583	0.3
70.65199	0.3
84.85328	0.3
86.98535	0.3
93.03392	2.0
121.91253	0.3
151.00307	1.5
163.00354	1.2
165.01915	5.4
177.31584	0.3
178.02707	0.8
211.04019	1.2
212.04784	1.8
227.03496	2.9
228.04361	0.3
239.03471	0.6
240.04253	1.7
240.07137	0.3
243.06621	1.7
255.03041	3.1
256.03857	4.7
271.06174	7.9
283.02441	2.0
284.03275	100.0
299.05630	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	299.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93370	0.4
53.34211	0.4
55.54919	0.4
56.03477	0.4
59.01341	1.0
60.72644	0.4
69.09173	0.4
77.05101	0.4
78.33019	0.4
137.09668	0.7
139.74432	0.5
169.43770	0.5
172.93214	0.5
183.08189	0.4
202.82013	0.4
212.04848	0.7
227.03400	1.9
255.03030	2.0
256.03787	2.1
260.45508	0.5
283.02579	1.0
284.03290	100.0
299.05652	55.3
299.15344	0.6
299.18753	0.7
299.25916	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01340	0.2
71.74247	0.2
84.86336	0.2
89.09821	0.2
130.08653	0.3
148.01643	0.8
158.03731	0.3
176.00920	0.2
178.90108	0.2
200.04816	0.3
207.10222	0.4
211.03954	1.0
212.04773	0.9
214.02676	0.3
225.11272	1.5
227.03485	1.7
228.04269	0.5
239.03510	1.0
240.04326	0.8
255.03030	1.9
256.03705	1.8
267.03122	0.2
283.02393	2.0
284.03287	100.0
299.05637	49.4
299.14960	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02971	2.1
59.01376	2.2
71.01367	2.2
72.00907	0.7
73.02931	0.5
75.98141	0.3
78.91706	0.3
85.02938	0.4
86.02494	0.6
93.03445	36.5
93.98701	0.3
101.02438	1.2
113.02461	0.6
114.01970	1.1
123.04505	0.6
131.03770	5.4
132.04559	1.3
137.02440	100.0
144.04544	14.0
146.06093	0.4
147.05672	0.3
149.04556	0.6
158.06157	0.3
161.04559	0.4
189.06648	1.3
213.06207	1.3
216.09056	1.2
225.01782	1.2
246.82735	0.3
253.09323	1.5
257.03317	2.7
299.04416	16.5
299.07742	3.4
313.84802	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0779
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
53.99101	0.5
55.00182	0.5
55.28606	0.6
56.12587	0.6
59.01381	0.7
62.42964	0.6
71.01384	2.5
84.71700	0.6
93.03445	40.4
110.21616	0.7
131.65739	0.6
137.02443	100.0
145.06084	0.8
267.78973	0.9
271.06131	3.2
285.52197	0.7
299.05383	3.0
299.07993	3.0
299.12451	1.1
299.17920	1.1
299.25830	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.1
65.03965	0.3
70.14358	0.2
71.01375	1.3
73.02911	0.3
83.16064	0.3
85.02448	0.3
85.02950	1.2
93.03446	34.7
101.02454	1.0
113.02416	0.6
124.72426	0.3
130.22234	0.2
136.01631	0.3
137.02440	100.0
179.03461	1.1
223.41998	0.3
239.05791	0.4
299.07797	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	299.0906
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	18.5
62.07524	11.2
70.18224	10.7
74.02464	23.0
76.44520	12.2
78.95925	10.8
92.04613	11.4
93.03448	25.1
96.96961	24.7
106.33410	11.3
110.06057	14.7
137.02463	61.7
145.46791	11.3
165.01926	26.5
187.10979	11.4
201.12450	25.3
211.98654	11.5
216.30894	10.6
217.12042	23.1
219.47188	12.0
240.04346	13.5
243.06642	13.9
271.06134	56.6
284.03412	19.1
299.05560	100.0
299.08990	90.9
299.26035	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	299.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17776	0.2
51.39331	0.2
93.03459	2.3
112.78185	0.2
133.02940	0.6
151.00310	0.4
163.00372	1.2
165.01927	3.2
178.02704	0.5
212.04788	0.4
213.05624	1.1
225.05576	1.5
227.03499	1.3
228.04251	0.4
233.39999	0.2
238.44101	0.3
240.04292	0.4
241.05077	8.6
243.06563	1.3
254.02098	0.4
255.03093	1.9
255.06630	0.3
256.03772	1.6
266.06036	0.3
269.04578	100.0
271.06146	4.8
283.06271	0.5
284.03403	3.4
284.06903	30.3
299.05655	10.9
299.09283	42.1
299.25974	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0928
Annotation	(-)-Sparticarpin
Peak:m/z	Relative Intensity
56.33054	0.3
59.01385	0.7
79.04507	0.3
79.92052	0.3
80.85911	0.3
86.31584	0.3
92.23146	0.6
93.03452	1.5
100.20995	0.3
117.56185	0.3
120.65569	0.3
123.00875	1.8
133.02945	0.6
145.02945	0.5
151.00374	0.6
163.00368	0.4
165.01923	3.4
178.02757	0.5
192.12474	0.3
210.01761	0.3
212.04861	0.7
213.05566	1.3
217.00377	0.7
221.50269	0.3
225.05545	1.7
227.03569	1.7
240.04240	0.6
241.05118	5.4
243.06697	1.6
255.03038	0.6
255.06651	0.7
256.03894	1.4
269.04578	100.0
271.06155	5.2
281.21634	0.4
283.05887	0.4
284.03326	5.2
284.06915	26.8
299.05643	13.0
299.09277	46.4
299.18640	1.3
299.25867	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1136
Annotation	Salidroside
Peak:m/z	Relative Intensity
50.58974	0.4
50.85832	0.4
59.01381	34.2
61.15413	0.4
67.87346	0.5
71.01378	14.6
76.24806	0.5
83.01395	0.7
83.01872	0.4
83.08411	0.4
85.02936	4.8
87.00889	0.6
89.02438	26.2
90.68789	0.5
93.03449	35.9
95.01379	0.9
101.02440	11.8
105.77677	0.5
113.02463	7.7
119.03524	10.5
119.05006	12.2
131.03578	0.6
131.92825	0.5
136.50595	0.4
137.02443	100.0
161.04565	0.6
179.05672	2.2
180.33890	0.5
210.94485	0.5
240.67014	0.5
299.04730	0.7
299.07822	4.0
299.11459	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	299.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62277	1.9
58.02978	100.0
59.01362	2.5
70.02969	12.0
72.00903	4.9
73.17115	2.0
77.46929	2.4
96.00908	25.2
97.04057	2.5
127.25445	2.1
135.04529	4.7
152.10800	5.0
153.09250	8.7
165.01912	4.2
170.11882	10.2
180.13991	29.7
181.13522	19.7
186.18498	3.0
188.10919	2.5
197.11908	5.0
206.11862	19.9
207.16151	5.1
217.00378	2.7
223.14523	62.0
225.11299	14.6
238.14537	3.0
250.10857	3.7
255.17174	39.5
256.15518	8.4
281.14996	2.9
282.13440	5.1
299.05557	5.1
299.16162	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	299.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73030	0.9
52.74019	1.0
57.04622	1.5
58.27303	1.2
59.01373	7.3
62.58915	0.9
63.25317	1.0
67.81898	1.2
72.00914	2.7
73.02985	1.3
84.08176	1.3
91.60864	1.1
102.05603	17.4
108.52570	1.2
114.09230	2.8
116.82056	1.2
124.07655	7.8
126.09219	1.5
127.07642	1.6
130.08728	79.8
140.07193	2.3
142.08667	2.1
154.08774	1.6
168.06682	56.1
168.09041	7.4
170.08272	8.6
174.99225	1.3
192.40623	1.3
195.15015	1.4
196.13341	2.1
197.11766	1.2
197.16678	8.6
197.42432	1.2
199.18192	9.2
207.10304	4.8
211.18031	1.4
217.00403	1.7
225.11278	11.1
225.16075	6.0
237.16063	6.8
237.19730	5.3
251.18886	1.3
255.17036	9.7
299.05554	5.6
299.16119	100.0
299.19745	27.6
299.25793	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	299.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36508	0.4
57.03450	1.0
59.01379	2.4
63.02240	0.5
71.01379	0.8
71.12140	0.4
77.67635	0.5
77.97295	0.5
79.75026	0.5
83.05005	1.0
85.02936	3.3
89.02760	0.5
92.22527	0.6
95.05012	2.4
97.02935	0.6
97.06583	9.7
99.08133	4.4
109.06613	1.0
110.03694	0.5
111.08202	0.5
122.79408	0.5
127.11289	2.4
137.09724	2.6
139.07629	1.2
139.11296	8.6
139.79488	0.5
143.07129	8.3
149.09729	4.3
155.10791	6.6
157.08722	1.1
165.09174	2.4
181.08713	2.8
183.10271	32.8
193.08699	1.3
197.11806	2.6
201.11328	13.7
211.09735	1.1
212.04892	0.7
219.17641	0.6
243.06654	0.7
253.31999	0.5
263.16562	4.5
271.06049	2.0
284.03360	1.3
299.05649	5.6
299.18674	100.0
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	Unknow
Peak:m/z	Relative Intensity
56.02242	0.5
58.00599	1.0
59.01375	7.5
85.02970	0.6
92.14075	0.6
95.23475	0.6
97.06568	3.5
99.08131	0.8
101.06066	0.8
105.08018	0.7
107.42359	0.5
109.06588	0.8
110.68890	0.6
111.08149	10.6
125.09720	7.2
127.07645	2.4
129.76436	0.6
137.09732	1.4
139.11246	0.7
141.09227	8.9
142.83049	0.6
148.92725	0.6
151.11215	0.8
153.09212	3.2
154.99716	0.8
155.10735	1.3
163.11272	1.2
165.01894	0.7
169.01392	1.2
169.08701	41.5
171.10263	9.3
181.12405	0.9
183.10265	7.7
192.48236	0.6
196.23621	0.6
197.11852	0.9
199.09760	1.0
201.11299	1.0
207.10234	6.3
217.00314	1.0
225.11340	7.9
235.16975	0.9
241.05116	3.0
263.16489	2.7
269.04568	33.2
271.06073	0.8
281.17563	2.9
284.06924	8.3
299.05640	4.1
299.09006	14.4
299.15417	3.4
299.18646	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26720	0.5
50.52316	0.5
56.93478	0.4
58.00591	1.3
59.01376	5.8
70.80733	0.4
84.39905	0.5
85.97863	0.6
97.06581	3.6
99.00805	0.5
109.05164	0.5
109.06592	0.5
111.08140	10.3
121.10235	0.5
123.08120	0.6
125.09691	5.1
127.07623	2.4
133.97823	0.6
137.09698	0.8
139.11320	0.9
141.09222	5.7
141.17494	0.5
149.09663	0.7
151.07579	1.4
153.09273	4.7
155.10832	0.7
165.01907	1.1
165.09157	0.8
169.08702	41.0
171.10287	7.4
181.12265	0.7
183.10239	8.5
199.09743	0.7
201.11443	0.8
217.00291	0.8
225.11279	0.8
227.03487	5.2
241.05161	0.8
255.03061	9.6
256.03677	2.8
263.16492	2.3
269.04562	6.2
271.06076	1.1
281.17508	4.2
284.03253	10.1
284.06583	1.2
299.05756	16.0
299.09256	3.6
299.18649	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2019
Annotation	Dehydroabietic acid
Peak:m/z	Relative Intensity
59.01376	2.1
65.16649	0.4
65.65911	0.4
75.79973	0.3
83.09932	0.4
92.10641	0.4
114.50287	0.4
140.17453	0.4
144.87633	0.4
167.28218	0.4
174.99210	1.5
217.00270	3.8
228.26781	0.5
262.37231	0.4
266.06760	0.4
299.05618	1.5
299.20193	100.0
299.25461	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	299.2593
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
109.17722	0.6
159.41418	0.6
235.27368	0.5
251.23824	3.2
253.25383	87.4
281.24817	0.9
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	299.2594
Annotation	(R)-10-Hydroxystearate
Peak:m/z	Relative Intensity
55.76439	2.4
59.01098	4.5
59.01384	98.9
62.63006	2.2
63.61012	2.2
93.62611	2.4
150.98885	4.2
234.31801	3.0
266.96231	4.3
282.99490	19.6
299.02737	21.7
299.25922	100.0
299.29318	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	300.109
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97046	0.4
59.01382	4.5
59.54375	0.3
62.46768	0.3
68.01414	2.4
68.89988	0.4
71.01366	0.5
89.02441	1.6
91.87011	0.4
92.22744	0.6
101.02434	0.5
103.09022	0.4
118.09286	0.4
123.03256	2.9
124.11461	0.4
136.07663	0.6
136.41655	0.4
137.04915	0.5
138.05608	100.0
152.03714	0.6
152.07173	1.5
167.05832	4.0
168.06612	0.5
180.06703	8.4
210.07805	0.5
290.31921	0.5
300.10910	28.0
300.19214	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02969	1.0
59.09170	0.8
66.54737	0.8
76.56701	0.8
83.06167	0.9
84.04527	3.1
101.07170	4.2
106.14678	0.8
109.04041	7.4
126.11604	0.9
127.05130	48.6
128.03549	6.2
129.10335	20.8
138.05586	8.0
145.06178	39.8
153.10335	3.9
154.08752	9.0
155.11906	1.5
171.11368	2.1
176.78217	0.8
196.14560	81.0
197.13028	0.9
214.13649	1.6
214.15630	44.1
214.17644	1.5
224.48929	0.9
238.15622	6.7
256.16669	7.5
282.14627	5.9
300.15671	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	300.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59433	0.5
52.72673	0.5
62.88140	0.5
73.04058	9.4
74.78950	0.5
82.06609	0.6
83.02483	0.8
93.88734	0.8
103.05405	0.6
110.58246	0.6
125.10865	0.6
129.10329	0.7
130.08730	83.3
139.08742	4.5
141.10364	8.5
141.71750	0.5
143.11874	3.0
146.24139	0.6
150.42593	0.6
155.25026	0.6
169.09840	19.6
186.12570	0.8
199.18172	38.9
218.62044	0.6
225.16125	0.6
231.12326	0.8
243.17151	1.2
256.20340	12.4
300.19318	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.193
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60842	0.4
62.46138	0.5
70.30673	0.5
73.76755	0.5
82.06620	0.7
85.54830	0.6
87.05634	8.6
88.04015	0.9
92.47622	0.5
97.04053	0.8
110.05368	0.6
115.08749	7.1
116.07166	20.6
125.06934	0.6
130.08730	75.5
139.08739	2.7
140.10826	1.0
141.09380	0.6
141.10326	4.9
143.11882	1.2
153.10280	0.6
157.13449	10.4
167.12025	0.6
168.13834	1.0
169.09842	12.4
183.11369	6.5
185.16586	19.1
186.12584	0.8
198.12479	0.6
199.12785	1.0
238.19327	0.6
256.20331	23.3
256.23038	1.1
270.05212	0.6
280.02423	0.6
300.19305	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31438	0.6
88.13506	0.7
100.66189	0.6
101.98689	0.7
124.01667	6.6
125.02435	43.9
149.99591	11.0
150.57172	0.6
151.00317	2.6
167.03505	0.8
168.00636	88.3
169.01414	8.3
202.96086	0.6
203.76595	0.6
212.87282	0.6
283.04626	8.6
301.05676	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0935
Annotation	Isotachioside
Peak:m/z	Relative Intensity
57.03465	0.8
58.02949	0.6
59.01387	7.1
68.20967	0.6
71.01375	5.2
72.00943	0.6
73.02960	1.5
79.95729	0.7
80.96517	1.1
81.04553	0.8
83.01382	4.5
83.73175	0.6
85.02937	2.5
93.03455	1.0
95.01392	2.9
99.00864	0.8
99.01958	0.7
100.45079	0.6
101.02441	3.5
107.01425	1.3
107.05039	0.8
108.05669	8.2
109.02944	0.9
113.02422	2.8
114.01950	0.7
121.02966	3.2
123.00879	99.4
124.01649	7.9
124.05164	1.6
125.02434	35.0
134.06076	0.7
135.04535	20.7
137.02449	5.7
138.03227	100.0
139.03995	17.3
142.98740	0.7
149.02466	2.8
150.03183	1.0
151.00368	38.2
151.03961	1.6
153.07813	7.3
161.04533	9.2
164.07204	3.1
166.02698	3.0
167.04691	0.9
168.00600	1.2
169.01418	17.3
175.00372	0.9
178.02635	3.2
178.05098	63.2
179.03490	0.9
181.05037	8.1
186.12489	0.8
193.01483	1.1
193.05077	2.8
205.01447	0.8
211.02148	0.8
214.01826	1.0
221.05722	7.3
228.31197	0.6
258.00748	2.7
265.09360	1.0
301.01392	60.0
301.05643	67.0
301.09274	12.4
301.13010	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	301.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.15831	0.7
61.57662	0.7
64.89152	0.8
91.05550	0.8
109.02954	10.2
120.64656	0.9
121.02943	57.3
122.03728	20.1
123.04492	1.4
127.75970	0.8
135.04527	29.9
138.03148	1.4
147.04532	1.9
149.02449	9.1
164.04778	17.0
172.99512	0.8
179.07158	4.2
183.56860	0.8
226.62279	0.8
227.07056	3.5
242.09448	1.3
253.05090	1.2
256.03751	3.3
271.06149	27.6
280.02420	0.8
285.07913	1.2
286.08472	10.9
301.10828	100.0
301.20139	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	301.1082
Annotation	Odoratol
Peak:m/z	Relative Intensity
51.98747	0.5
57.12380	0.7
59.67136	0.6
73.33522	0.6
76.46053	0.6
91.05482	1.2
108.02139	1.4
109.02940	17.0
121.02935	16.3
122.03713	3.4
122.96009	0.8
135.03481	1.3
135.04523	39.5
137.02489	1.3
138.03194	0.9
142.89745	0.8
145.02922	0.8
147.04524	3.5
149.02423	6.1
153.05573	1.2
164.04745	12.5
170.63718	0.7
178.80490	0.6
179.07130	5.9
180.26457	0.7
209.22108	0.7
227.07153	4.5
242.09413	1.2
244.07408	0.8
253.05113	2.9
255.06627	1.7
256.03772	4.9
270.33118	0.8
271.06140	49.8
286.08493	22.0
301.10831	100.0
301.20102	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	301.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03321	0.9
57.20671	1.0
65.02271	1.2
65.03918	1.2
65.73655	1.1
91.05522	5.3
108.02164	1.5
109.02956	19.9
110.80168	1.1
121.02953	17.7
125.02384	1.8
131.04958	1.2
133.02950	1.9
135.04530	73.4
137.02403	1.6
138.00313	1.2
138.03177	2.2
147.04480	6.2
149.02444	10.3
153.05537	1.7
164.04825	18.8
173.64789	1.2
179.07159	10.9
179.49983	1.6
209.06146	1.3
220.05392	1.4
227.07178	9.9
229.05055	2.7
251.72833	1.4
253.05113	4.7
255.06458	1.6
256.03757	7.4
271.06158	100.0
286.08493	27.7
301.10834	84.3
301.14349	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	301.1658
Annotation	Tributyrin
Peak:m/z	Relative Intensity
85.18547	0.3
91.03996	0.5
94.84959	0.4
123.24114	0.4
165.12843	3.4
165.98106	0.4
183.13902	100.0
209.11879	2.0
214.48654	0.5
227.12932	2.7
237.06757	0.4
301.16589	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	301.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27396	0.3
68.71813	0.3
74.63548	0.3
80.19628	0.3
91.03992	0.4
93.57069	0.3
109.47968	0.3
133.75096	0.3
133.76250	0.3
165.12866	2.3
183.13901	100.0
209.11845	1.9
227.12898	3.2
237.33723	0.3
301.16599	18.2
301.19879	0.8
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
58.00598	2.3
59.01379	0.6
61.39769	0.5
81.97770	0.4
84.41720	0.5
91.03977	0.9
103.06020	0.5
153.12857	0.7
155.14391	1.0
157.37245	0.5
165.12846	4.2
171.13960	1.2
181.12366	3.0
183.13914	1.0
191.10826	2.2
199.13412	46.5
209.11853	12.7
227.12904	100.0
250.68669	0.5
259.35461	0.5
301.16586	15.1
301.19922	0.9
317.44720	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67567	0.6
59.01377	3.1
59.73439	0.7
75.06595	0.7
83.04995	1.2
91.03980	1.0
99.08160	1.3
111.08135	1.3
112.77966	0.7
119.47621	0.8
121.10217	1.6
129.09193	3.4
141.09166	5.8
153.09183	1.6
154.78729	0.8
155.10791	1.5
155.24352	0.7
163.11331	1.1
165.12845	30.2
171.10243	6.2
183.10387	11.1
183.13904	100.0
203.18059	1.5
209.11826	35.7
227.12901	26.1
228.06287	0.8
257.57440	0.7
265.18356	1.0
283.19147	0.9
301.16574	35.0
301.20233	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	301.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95270	0.2
59.01379	0.4
59.01880	0.2
80.02660	0.3
81.03480	0.3
83.05016	3.6
87.84699	0.2
95.05017	0.4
99.11442	0.2
104.51519	0.2
107.90870	0.2
125.06058	0.3
135.08176	0.3
163.11305	2.0
165.12828	2.0
181.12260	0.3
191.10747	0.3
209.11847	100.0
227.12901	4.4
301.16632	0.4
301.20325	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	301.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
80.02689	0.9
83.05024	3.0
83.14854	0.2
84.02171	0.3
95.05004	0.3
97.06606	0.3
110.92228	0.2
125.06090	0.4
125.72047	0.2
163.11301	2.5
165.12813	2.5
181.12320	0.3
191.10814	1.4
202.88116	0.2
209.11850	100.0
227.12892	5.0
283.19278	0.3
301.17148	0.3
301.20084	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	301.1662
Annotation	Tributyrin
Peak:m/z	Relative Intensity
50.52151	0.4
59.55852	0.4
62.01232	0.4
65.66108	0.4
65.83915	0.4
84.82799	0.4
103.36973	0.4
128.18340	0.5
134.99434	0.6
158.97174	0.4
161.06390	2.6
185.65083	0.5
217.07220	69.8
235.08224	0.5
285.13489	34.5
299.31912	0.4
301.16629	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	301.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37192	0.3
57.03462	0.4
58.00591	0.9
58.80431	0.4
69.03448	1.0
75.55739	0.4
78.95895	2.9
82.28266	0.4
92.22565	0.5
113.02456	0.7
125.09705	5.0
125.14362	0.4
127.11286	8.0
149.96800	0.5
155.10767	3.2
157.12361	0.7
165.09193	3.0
171.10318	4.0
183.10178	0.6
187.13310	0.7
199.09758	3.7
199.13358	3.8
201.11333	100.0
209.11833	2.0
227.12886	6.9
265.17981	0.6
276.98233	0.5
283.19177	9.7
301.12164	0.7
301.16599	3.5
301.20227	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	301.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
75.06670	0.8
76.45431	0.9
103.42811	0.9
161.66071	1.0
183.94418	1.1
221.19107	42.3
239.20099	7.6
257.21185	1.6
265.18100	33.6
283.19159	28.5
295.36087	1.1
301.20230	100.0
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	Unknow
Peak:m/z	Relative Intensity
52.07440	0.4
53.02828	0.4
57.03438	1.8
57.29944	0.4
59.01379	1.9
63.82819	0.3
64.98528	0.4
69.03456	0.6
76.94543	0.4
83.05024	0.8
85.02914	0.5
97.06577	7.8
97.29689	0.4
99.08151	9.7
104.03439	0.4
109.06560	0.7
127.11284	4.2
129.09196	1.7
135.04482	0.4
137.09676	1.7
139.11293	7.9
143.07095	3.0
155.10754	6.6
165.09274	0.8
171.10272	0.8
181.08690	1.1
183.10263	42.2
185.11852	0.5
200.77855	0.4
201.11328	19.3
232.79276	0.4
265.18152	0.8
271.06134	0.6
301.10779	2.1
301.20227	100.0
321.31363	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90498	0.4
57.03455	1.2
59.01361	1.7
61.89408	0.4
68.26110	0.4
69.03479	0.7
93.03465	0.6
95.05009	0.6
95.78264	0.5
97.06573	6.9
99.08153	8.8
100.33667	0.5
106.89002	0.5
109.06570	0.5
111.08189	0.5
111.25071	0.4
127.11305	4.4
129.09198	2.1
137.09711	1.2
139.11298	10.2
143.07159	5.3
155.10776	7.2
157.08717	0.6
169.08829	0.6
171.10271	0.7
181.08688	1.2
183.10269	34.9
201.09558	0.9
201.11349	17.5
227.12933	1.9
244.15637	0.6
265.18057	2.2
283.19067	1.1
301.10880	2.1
301.20239	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	7.2
63.03255	0.4
71.01379	0.5
71.04996	1.0
86.88943	0.4
92.22570	0.4
99.08151	2.5
101.06064	3.4
113.09689	1.0
121.10281	0.6
125.09750	0.7
127.07630	0.6
127.11279	0.6
129.09201	4.8
134.05476	0.4
137.09694	0.5
139.11298	2.4
141.09227	9.7
149.13435	0.4
152.11896	0.8
153.09196	3.6
153.12288	1.0
155.10797	2.5
159.53413	0.5
162.95750	0.4
165.12854	2.5
167.10704	0.6
169.08733	1.0
169.12343	0.6
171.08870	0.7
171.10278	13.7
175.14911	0.4
181.12360	2.4
183.10297	8.0
183.13895	8.1
193.12337	0.7
197.11826	0.5
199.13397	11.5
201.11227	0.6
203.18054	2.5
209.11861	2.0
211.13414	8.1
227.12946	3.3
247.17390	0.5
249.52814	0.4
265.18201	3.2
283.19196	4.3
301.20212	100.0
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	Abietic acid
Peak:m/z	Relative Intensity
63.24813	0.3
64.51157	0.3
71.42432	0.3
108.81479	0.3
133.02324	0.3
158.55272	0.3
193.93932	0.3
209.11784	0.5
220.29906	0.3
274.38367	0.3
301.21753	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	301.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28228	2.7
59.01381	15.3
69.29540	3.3
74.41071	2.8
101.90508	2.9
116.38320	3.4
124.21036	3.0
132.90826	2.7
145.55779	2.9
157.56097	3.0
174.58510	3.7
185.50452	3.6
187.53073	3.3
203.17934	3.1
257.22794	25.5
301.16714	4.5
301.21750	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	301.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57328	0.3
55.69344	0.3
56.00135	0.4
61.67522	0.5
64.78316	0.3
64.85939	0.3
68.00136	3.1
79.90440	0.4
82.01726	5.1
92.22553	0.5
95.02496	8.1
96.03306	0.4
123.05631	1.5
124.06469	0.6
137.07237	0.9
149.25905	0.4
151.08775	0.8
156.05376	0.4
159.24100	0.4
193.13501	1.9
203.20203	0.4
210.14017	0.4
232.15843	3.6
245.16544	1.5
258.20496	0.5
301.22876	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.136
Annotation	Nicotianamine
Peak:m/z	Relative Intensity
50.10726	1.1
59.01379	1.6
59.82431	1.2
66.03477	1.3
71.01379	32.7
71.40768	1.2
73.04064	8.6
74.02470	24.9
79.20316	1.2
80.82301	1.4
87.05647	5.3
88.04028	33.1
96.26743	1.3
96.95989	1.3
99.05659	1.4
101.07166	2.8
113.86197	1.4
115.00372	37.3
128.29375	1.3
129.10352	13.5
130.08739	6.0
132.02994	12.6
140.04663	2.6
141.10352	5.7
143.11905	9.4
155.11911	2.2
157.13438	3.2
166.08586	2.0
168.11499	3.0
169.09831	11.1
182.09341	2.4
183.11418	5.4
186.12485	92.0
187.10872	28.9
201.12450	1.6
214.15617	13.0
242.08640	3.0
248.80351	1.5
258.14590	38.8
258.16998	1.8
267.09979	2.1
284.12695	10.2
302.13602	100.0
302.17191	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	303.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.87496	0.7
68.01418	1.7
68.30164	0.7
68.99812	1.7
70.02968	1.5
73.91707	0.7
88.12304	0.9
96.00896	1.0
97.01670	4.4
98.02467	100.0
110.02470	10.6
116.05054	14.1
121.24574	0.8
130.05063	9.7
130.05742	0.6
144.85208	0.8
164.65448	0.8
179.60779	0.9
188.61414	0.8
227.08266	77.9
259.10919	4.0
320.27628	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46840	0.3
54.82859	0.4
55.75259	0.4
56.67389	0.4
59.01377	2.2
82.76793	0.4
89.02456	0.5
92.22594	0.8
92.23118	0.6
103.19453	0.4
109.06574	4.0
127.07647	100.0
148.04021	1.8
149.04544	5.1
167.50899	0.5
171.06628	32.9
211.52769	0.5
303.10828	13.1
303.13669	1.3
322.65552	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	30.3
66.23807	1.0
71.01366	2.6
71.99264	0.9
79.16498	1.1
84.04526	1.4
91.30159	1.1
92.23031	1.2
96.04542	1.5
108.04552	26.0
121.05320	1.9
122.05230	2.2
122.06111	80.9
124.07675	83.0
133.95134	1.2
136.07680	100.0
136.81236	1.1
167.05904	10.7
168.06659	98.0
172.11377	1.5
173.47026	1.2
180.06602	12.1
188.10693	2.0
216.10365	2.7
216.13989	12.3
229.09734	1.4
230.10539	5.9
231.05281	1.5
231.11345	5.4
241.09810	7.1
241.13531	1.9
243.11324	8.9
259.14496	7.5
260.09320	7.0
262.59787	1.3
274.18460	1.2
284.97290	1.1
285.08765	10.5
285.12320	4.9
294.02777	1.4
303.10004	7.1
303.13498	99.3
314.79901	1.1
316.35284	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	303.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88169	0.3
53.11876	0.3
57.41531	0.3
59.01382	100.0
71.01382	4.7
71.01759	0.5
73.02947	2.3
74.83112	0.4
82.04414	0.4
83.01348	0.4
85.02952	2.1
89.02440	5.5
91.71050	0.3
92.22552	0.6
101.02444	3.1
113.02437	3.4
115.32054	0.4
119.03519	1.8
122.87221	0.4
155.21219	0.3
179.05647	0.5
203.08293	0.6
259.72772	0.4
275.41562	0.4
286.83929	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24479	0.5
56.57406	0.5
57.03445	1.5
59.01374	1.3
89.79700	0.6
91.03983	0.9
92.23132	0.6
94.47804	0.6
113.62792	0.7
125.09697	5.9
139.11253	4.6
141.12865	3.6
155.10770	0.7
167.10753	9.7
171.10226	0.8
185.11830	100.0
201.11420	1.4
211.09766	2.7
229.10855	6.6
303.14505	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	303.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80754	0.7
53.17688	0.7
59.01374	8.9
59.15739	0.7
71.56263	0.8
80.51873	0.8
80.54468	0.7
82.52187	0.8
94.58178	0.7
106.01292	0.9
205.19635	1.4
259.24341	7.5
303.23328	100.0
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
52.88932	3.1
57.31061	2.9
64.53168	2.8
93.55578	3.0
106.75220	3.2
136.05476	3.8
146.64931	3.6
179.32671	3.9
303.19891	4.8
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	303.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92277	0.3
56.32612	0.3
62.69427	0.4
65.99736	0.4
79.66120	0.4
82.01729	0.5
82.26652	0.4
85.82127	0.4
95.02528	3.4
107.56300	0.4
151.08804	0.6
165.10431	0.4
231.88629	0.5
239.17896	0.5
303.24451	100.0
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
57.53125	0.6
59.01381	20.2
60.01712	2.5
61.98832	100.0
74.91589	0.5
103.92062	0.8
104.92841	0.6
116.02627	0.8
117.02235	0.9
117.07974	0.6
119.00175	1.0
138.94440	0.6
159.01485	4.2
160.01605	13.8
161.01196	15.0
161.96205	1.0
161.98935	30.5
162.01559	5.3
187.60023	0.8
188.03392	0.6
202.02719	4.7
203.02402	3.5
203.99982	4.9
204.02666	0.9
262.01712	2.0
271.45483	0.6
304.00052	31.0
304.02802	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	304.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.2
62.98828	0.9
70.02990	0.8
71.01362	1.2
72.00871	1.1
73.04066	3.6
74.02442	1.0
79.10748	0.9
79.95714	1.1
84.00908	6.4
85.04070	12.6
85.68893	1.1
87.05624	5.0
87.92554	3.4
102.05629	4.6
103.05158	1.4
103.92018	6.2
104.03494	1.8
104.92786	2.3
110.03607	1.4
111.01994	1.7
111.09266	1.4
112.16665	0.9
113.03574	12.7
125.03540	4.7
125.37099	0.9
126.01966	1.5
127.05153	1.2
130.08736	96.0
140.07143	4.4
141.06624	1.1
143.04623	31.9
143.11897	60.6
145.96718	4.9
152.07140	1.0
155.11900	1.5
156.06590	1.3
161.96176	5.3
170.08281	4.0
170.99844	1.6
172.00742	63.1
173.05649	1.5
180.11443	1.4
184.00784	2.0
184.06133	1.6
187.10841	4.7
188.09236	1.4
199.94168	4.7
200.14059	77.7
212.14029	5.3
214.01802	15.3
217.77293	1.1
226.01819	1.0
244.13072	22.4
256.13126	7.7
256.77661	1.0
274.14105	100.0
286.14056	2.4
304.05020	33.3
304.10577	5.0
304.15149	85.5
324.04428	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16216	1.0
57.42356	1.0
58.02979	37.6
76.26746	1.2
120.06395	1.1
168.13930	100.0
304.19223	5.6
305.58533	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
57.11948	0.5
58.23800	0.5
59.01382	48.4
71.01382	1.3
79.95747	0.9
89.02435	1.4
96.96004	96.5
118.05080	0.9
120.25499	0.6
127.07642	1.4
137.78928	0.7
142.49110	0.7
143.07039	0.7
147.08202	1.1
165.09169	1.2
168.06439	0.7
181.12418	0.8
182.94728	0.7
211.09875	0.7
223.99329	0.7
225.11339	40.1
243.16107	0.8
245.13948	4.8
275.25204	0.7
305.07047	100.0
305.12469	3.3
305.15833	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	305.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	14.0
58.49587	0.6
59.01381	5.9
71.01372	3.8
74.02464	12.5
84.04550	7.9
86.02472	1.0
89.02424	2.1
92.05056	3.9
93.45088	0.9
98.02464	8.2
101.02451	1.2
110.02480	1.9
116.03524	6.0
118.02982	1.1
119.03522	0.8
128.03523	17.3
130.06561	1.3
131.03764	20.3
132.04544	30.8
140.05055	1.2
144.04608	6.9
146.06085	3.6
147.05682	1.2
157.07701	24.7
157.08942	1.2
158.06102	26.1
175.08765	34.0
180.48839	0.8
189.06676	2.0
199.08760	3.4
201.06760	5.4
217.09821	3.3
219.07759	26.4
243.07756	3.4
261.08817	100.0
305.12350	3.9
305.15924	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	305.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.0
65.00821	0.2
68.10209	0.2
70.06415	0.2
71.01359	0.3
73.02946	0.5
81.47607	0.2
83.05019	3.5
84.19812	0.2
98.21059	0.3
106.50668	0.2
108.14072	0.3
109.06572	1.1
111.08148	74.7
129.09219	4.4
148.38651	0.3
151.45149	0.2
154.24214	0.2
155.07121	0.5
173.08182	100.0
266.95609	0.3
305.12451	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	305.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90694	1.2
51.81498	1.3
53.50750	1.2
59.01379	100.0
73.78151	1.3
81.55333	1.5
102.93140	1.5
116.20412	1.4
116.79866	1.4
124.75191	1.4
149.31442	1.3
171.10275	3.6
309.49039	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	305.1607
Annotation	Feruloylagmatine
Peak:m/z	Relative Intensity
51.26937	0.5
53.96779	0.5
54.47511	0.5
59.01379	12.5
63.38540	0.6
75.23467	0.5
83.05004	3.4
85.02943	13.9
109.45030	0.5
111.08155	0.6
125.09724	1.2
127.11261	2.5
141.81863	0.7
155.10760	1.2
165.09161	1.5
165.12923	0.8
171.10280	1.3
173.08372	0.8
181.15933	0.6
185.36121	0.7
199.09793	2.3
201.11333	100.0
209.11839	62.2
210.74471	0.7
217.67143	0.6
225.14952	15.4
227.12865	8.2
243.16017	10.7
261.17029	1.2
269.14017	1.0
281.20212	0.7
287.14841	2.0
305.16080	95.8
313.91891	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	77.5
61.54631	0.4
74.30791	0.4
86.59534	0.6
91.04023	0.8
92.23100	0.8
101.03162	0.5
115.28623	0.5
140.94447	0.5
151.11264	5.5
169.12346	43.0
171.10274	82.3
185.11763	0.7
186.26514	0.5
200.06007	0.5
213.11369	6.3
231.12366	13.0
287.14990	3.8
305.16089	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	305.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58456	0.7
54.95978	0.8
59.01381	78.5
59.45622	0.9
67.81870	0.8
71.86422	0.8
124.04621	1.0
144.04593	0.9
151.11273	4.5
157.22095	1.1
169.12344	43.6
169.13751	1.8
170.92528	1.1
171.10274	74.3
185.11848	1.1
213.11327	8.4
231.12364	13.4
236.97713	0.9
274.72714	1.1
282.16867	1.0
287.15112	1.5
305.16098	100.0
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	Unknow
Peak:m/z	Relative Intensity
50.56806	1.1
56.70090	1.0
56.87538	1.1
59.01372	6.4
59.48799	1.1
71.05016	32.8
80.02662	1.4
81.03445	1.4
83.05013	2.3
87.60461	1.4
95.05028	19.0
109.06604	13.7
121.06580	2.9
127.07610	1.5
135.08165	2.6
145.45590	1.3
147.08206	2.3
165.09192	10.4
189.12906	14.2
195.75981	1.4
205.15985	11.5
233.11812	5.8
243.17508	8.5
245.07172	1.6
249.15033	9.8
261.18658	2.1
263.16611	2.1
287.16556	65.0
305.17612	100.0
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
54.98511	1.0
59.01376	2.5
62.83165	1.1
65.03967	1.8
71.05021	7.7
72.92424	1.0
79.05527	9.3
83.05024	1.1
84.40300	1.0
97.06602	18.1
100.77429	1.0
106.04230	6.0
109.06586	4.1
118.67905	1.1
120.05820	4.5
121.06558	2.5
123.08162	7.2
125.09738	14.1
133.06602	1.8
135.08160	100.0
137.09755	1.4
151.11292	2.1
161.09831	1.4
162.06868	1.5
163.11378	1.4
177.12828	1.4
191.40054	1.1
205.16035	8.7
207.10277	1.4
211.13696	1.0
247.13412	1.1
249.14970	46.1
287.16531	7.9
305.17621	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	305.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47801	15.1
59.01381	23.3
62.38454	14.7
65.93900	14.6
76.64881	17.3
108.12483	14.7
147.72046	19.2
164.79279	19.1
175.28029	17.6
225.82933	16.5
305.17661	27.6
305.21329	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	11.6
166.42332	7.8
233.19078	39.2
305.17557	41.2
305.21249	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	305.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41151	0.8
50.77734	0.7
54.68653	0.7
57.03428	0.8
59.01371	2.1
86.34030	0.9
97.06577	4.5
99.08154	23.8
100.60488	0.9
125.09710	17.4
151.11317	1.2
159.90916	1.3
161.13289	1.3
171.10222	1.1
193.12216	1.1
195.13985	1.8
220.07126	2.1
221.06921	6.0
261.22305	1.5
277.21771	14.0
287.20230	17.5
289.13446	4.4
305.16681	14.1
305.21222	100.0
312.03171	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56380	1.5
53.93455	1.6
55.52309	1.6
56.00200	1.7
59.01374	8.7
97.06560	3.7
99.08138	15.5
109.82710	2.0
125.09708	13.6
126.85319	2.2
135.08188	4.2
140.27373	2.0
140.68340	1.8
178.75050	2.0
190.27072	1.9
193.12361	2.5
261.22336	2.5
277.21796	14.6
287.20117	17.5
305.17667	8.7
305.21198	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.8
68.39206	0.8
83.32572	0.7
97.06585	6.0
98.02961	0.7
99.08145	21.7
119.68726	0.8
120.35729	0.9
125.09720	19.9
135.08101	0.8
151.11269	1.4
161.13290	1.0
193.12415	2.8
195.13899	3.7
205.12291	1.2
242.61145	0.8
243.21228	1.4
261.22278	2.8
277.21774	12.6
287.20200	16.9
305.18152	3.6
305.21249	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	305.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90252	0.6
59.01376	4.0
62.18953	0.8
70.47073	0.7
71.04979	0.7
97.06574	3.2
99.08147	22.7
109.06500	0.7
115.19943	0.8
115.52124	0.7
125.08804	1.4
125.09689	17.6
134.62805	0.7
135.08130	3.2
139.77161	0.7
147.50368	0.8
149.13354	1.2
151.11348	0.9
167.10768	1.1
193.12329	1.8
195.13969	1.8
205.12408	1.8
220.11320	0.9
243.21135	1.0
249.15025	1.7
261.22131	3.4
277.21722	13.9
287.20190	19.5
294.81451	0.8
305.17795	6.7
305.21228	100.0
320.25522	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.249
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
51.45796	0.8
56.34402	1.0
57.09170	1.0
59.01382	4.4
64.90846	1.0
83.85756	1.0
106.04086	1.8
106.17697	1.5
131.62903	1.2
140.81003	1.2
173.04750	1.3
176.61714	1.0
177.80244	1.2
185.29539	1.1
278.53717	1.1
305.24908	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.26
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98852	0.5
51.23840	0.5
54.45102	0.5
57.39223	0.6
91.05263	0.6
92.22480	0.6
95.02529	1.3
106.04113	2.7
107.54612	0.6
116.71284	0.6
132.28114	0.7
303.45944	0.8
305.26013	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	306.083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	14.8
58.02975	3.3
58.09657	2.1
59.01384	100.0
63.85765	2.4
65.47893	2.3
70.02997	5.2
71.01389	18.5
73.58945	2.1
76.87194	2.5
81.02229	3.6
82.02979	21.9
84.00919	2.9
84.04532	22.2
85.02940	2.8
89.02428	15.2
92.10193	2.5
92.23043	2.9
92.31754	2.6
94.02982	3.5
98.02486	3.1
101.02440	6.1
112.04034	63.2
112.68308	2.9
118.05068	3.2
120.96832	2.7
124.04058	12.4
124.15877	2.8
126.01970	6.5
130.71422	2.4
133.01447	3.7
149.04552	14.5
150.04933	4.3
156.03513	12.0
159.68513	2.5
174.04509	22.3
179.08484	2.7
180.73691	2.4
225.82056	3.1
306.06335	2.6
306.08890	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	306.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50660	0.4
55.72331	0.4
56.62120	0.6
67.38615	0.4
72.25915	0.5
73.83852	0.5
131.05388	1.2
133.06926	100.0
220.10139	2.0
230.50963	0.5
259.59692	0.6
262.11185	18.1
281.12912	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49524	0.3
57.03442	0.5
57.04020	0.4
57.69932	0.4
59.01382	0.9
59.83345	0.3
61.01021	7.7
63.29342	0.4
66.01167	0.4
66.59991	0.4
69.03435	0.4
69.84440	0.4
82.43307	0.4
82.61630	0.4
85.02966	0.9
87.04508	2.7
88.58762	0.4
89.02435	2.6
101.02419	2.1
113.04166	2.0
115.02079	10.2
129.03656	0.9
131.03473	0.8
132.98203	1.1
135.02974	1.6
138.54852	0.6
149.04564	7.7
157.03125	26.6
160.97647	0.6
174.04578	0.6
175.04189	48.3
209.06702	0.9
245.08374	0.6
247.01355	0.8
247.06335	1.8
255.06453	0.4
307.08472	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41210	0.8
51.45434	0.8
55.01892	1.3
57.03451	23.7
58.62218	0.8
59.01104	1.6
59.01381	34.6
61.39931	0.8
66.59168	0.8
71.01388	8.8
73.02934	1.6
83.01366	9.6
85.02946	100.0
89.02427	8.2
99.00865	1.5
99.93390	0.9
101.02450	11.2
101.06076	18.7
108.35233	0.9
111.00871	33.0
113.02412	3.7
119.03481	2.0
129.01938	44.1
131.36464	1.1
155.12846	1.1
159.03040	1.2
161.04530	2.0
187.02545	1.9
205.03542	26.8
223.04652	1.8
307.02728	1.3
307.10349	14.7
307.13974	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	307.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86679	0.5
55.01859	0.9
57.03453	6.6
59.01382	36.5
60.96156	0.6
66.73113	0.5
71.01015	0.9
71.01379	16.8
72.99277	0.9
73.02927	1.1
79.18866	0.5
83.01374	4.5
85.02946	34.7
87.00887	0.9
89.02438	21.6
95.01364	0.8
99.00863	0.7
101.02441	16.2
101.06055	5.7
111.00868	9.6
113.02435	8.8
119.03494	6.3
127.07645	7.5
129.01933	13.0
145.08701	18.2
161.04546	0.9
193.46922	0.6
196.93648	0.6
205.03496	6.2
214.88774	0.7
292.91751	0.6
307.10529	5.6
307.13995	100.0
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
59.01382	100.0
71.01375	43.9
71.01775	1.3
73.02898	0.9
79.43174	1.0
85.02948	10.6
87.00865	1.5
89.02438	86.8
95.01368	2.4
97.72295	1.0
98.18829	0.9
101.02439	25.8
113.02425	24.3
119.03477	35.5
127.07646	56.1
131.03491	1.8
143.03488	4.4
149.04510	1.0
152.49149	1.1
161.04514	5.2
179.05627	16.9
246.39568	1.1
297.48499	1.3
298.94644	1.2
307.14017	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	307.1917
Annotation	Soraphen O
Peak:m/z	Relative Intensity
50.83355	2.3
50.86255	2.7
54.65979	2.4
56.11190	2.2
65.03964	42.5
71.05014	37.2
80.64018	2.6
89.88901	2.5
92.22486	6.8
97.06589	62.7
105.57900	2.9
109.49896	2.7
111.62599	3.2
119.08677	3.4
121.06583	100.0
125.09713	53.3
137.09714	4.9
141.12900	3.0
146.91264	2.7
151.89983	3.1
185.11819	87.3
191.62970	3.0
197.11784	3.6
209.11870	32.7
211.13376	31.1
235.13385	92.9
238.82918	2.6
289.18127	46.8
307.19131	60.8
310.30405	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	307.1915
Annotation	Soraphen O
Peak:m/z	Relative Intensity
50.30407	1.4
52.20555	1.7
53.94109	1.6
57.03436	2.1
65.03964	55.9
65.99437	1.7
71.05007	36.9
81.03442	1.8
97.06576	70.7
100.00554	1.8
103.33630	2.0
116.88303	1.9
119.08656	5.0
119.47411	2.0
121.06579	100.0
123.08209	2.2
125.08839	2.6
125.09719	65.6
134.70042	1.8
137.09735	7.3
185.10251	4.0
185.11835	88.7
209.11850	38.0
209.33073	2.3
211.13397	39.3
211.47762	2.0
235.13399	87.7
289.18207	23.7
307.15717	5.0
307.19113	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	307.1917
Annotation	5-O-Methylembelin
Peak:m/z	Relative Intensity
53.10960	1.9
54.63736	2.3
57.03459	3.4
59.01390	8.2
81.03460	3.4
83.01385	3.7
83.05035	2.3
85.76323	2.7
97.02984	2.9
97.06600	9.0
123.04498	5.3
123.08199	2.9
125.09747	16.7
137.06149	3.1
137.09718	14.2
141.12796	3.2
149.06120	2.8
163.11304	17.7
165.12881	4.4
171.10303	3.2
181.12328	3.4
185.11790	17.5
191.14459	14.5
203.94833	2.8
207.10246	9.6
209.11853	34.6
217.16132	2.6
232.73820	2.7
245.19154	29.3
263.20087	10.2
265.78110	2.3
289.18158	100.0
307.19223	75.8
310.98727	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	307.228
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57375	0.4
55.33017	0.4
57.13372	0.4
60.69781	0.4
75.28303	0.5
78.26820	0.5
190.28325	0.5
225.51453	0.5
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	307.228
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
52.94735	1.5
53.17376	1.6
54.62980	1.6
59.01369	8.5
86.22362	1.6
111.91470	1.5
149.67490	1.7
155.77049	2.2
162.01221	1.7
177.65877	1.6
179.14342	2.4
180.49788	1.6
185.11794	2.4
197.11726	2.5
205.15959	2.0
211.93394	1.7
223.13431	14.0
263.33401	1.7
275.20160	67.7
289.17871	2.2
307.19553	6.0
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	307.2644
Annotation	5(Z),14(Z)-Eicosadienoic Acid
Peak:m/z	Relative Intensity
59.01366	1.1
62.30381	0.6
65.01472	0.6
83.67219	0.7
91.83834	0.7
106.04102	2.6
158.97340	0.7
167.79752	0.7
189.18767	0.6
289.25470	0.8
307.26465	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	307.2644
Annotation	5(Z),14(Z)-Eicosadienoic Acid
Peak:m/z	Relative Intensity
59.01366	1.1
62.30381	0.6
65.01472	0.6
83.67219	0.7
91.83834	0.7
106.04102	2.6
158.97340	0.7
167.79752	0.7
189.18767	0.6
289.25470	0.8
307.26465	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	307.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65865	0.2
56.01299	0.2
63.51825	0.2
64.42786	0.3
64.50365	0.2
65.17403	0.2
74.69575	0.2
82.62766	0.2
93.90507	0.2
134.94972	0.2
148.65901	0.3
167.14867	0.3
259.68451	0.3
280.49298	0.3
295.89700	0.3
307.27579	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
66.10411	0.6
71.01383	0.8
71.59746	0.5
82.24046	0.6
101.02528	0.6
110.10685	0.5
112.66527	0.5
143.04648	0.9
147.70331	0.6
154.06274	1.0
161.04565	1.1
164.07188	0.7
235.22945	0.5
267.74777	0.6
308.12640	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40000	0.7
57.03433	0.8
58.02979	12.2
72.04537	0.7
87.00896	1.0
95.05014	0.8
98.03725	5.5
110.93128	0.8
116.11478	0.9
123.04490	3.7
125.21134	0.8
131.48718	0.8
141.12833	3.7
148.07719	1.4
153.12897	3.4
164.10742	1.8
165.12888	0.9
166.08702	2.0
179.10872	1.0
179.14407	25.2
181.12329	7.1
182.13002	1.0
195.13861	4.0
197.15475	10.0
227.68619	1.0
240.13615	1.3
247.20683	8.6
290.18539	4.4
290.21289	78.0
291.19705	24.0
305.64697	0.9
308.19644	4.3
308.22357	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0577
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24711	0.5
59.01379	10.6
60.15479	0.5
61.98831	100.0
63.23417	0.4
66.92933	0.5
71.01366	4.6
78.95923	1.0
85.02950	1.0
89.02425	6.5
99.04512	0.7
101.02440	2.2
113.02455	2.2
119.03510	2.3
128.03520	0.7
129.05629	1.7
137.54837	0.5
161.04634	1.0
180.06693	0.8
194.46805	0.5
288.27124	0.6
295.01703	0.6
309.11929	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	309.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05309	0.6
77.34354	0.8
79.50819	0.8
80.52683	0.7
82.33974	0.8
92.22552	0.7
95.69798	0.8
106.61240	0.8
117.03426	0.8
124.93982	0.8
133.24570	0.8
135.04463	1.1
145.02966	1.6
163.04149	2.5
164.01758	4.4
171.04543	0.8
175.33771	0.9
181.35605	0.9
207.08105	3.1
208.05461	0.8
217.06572	1.4
219.08144	3.5
221.04074	0.9
221.06090	3.6
223.07654	4.0
225.05469	0.8
233.06215	5.9
235.07687	10.2
237.09183	2.9
239.07181	1.4
245.06207	5.7
246.06769	1.5
247.07672	3.0
250.06345	1.4
251.07124	9.3
257.28122	0.9
261.05530	10.2
262.06424	5.8
263.07135	34.6
264.04251	1.1
265.08664	1.5
276.07721	1.1
277.05197	1.0
277.08371	1.1
278.05984	1.2
278.09381	0.9
279.06644	25.7
281.05121	1.1
281.08197	31.9
291.06631	9.0
293.08292	0.9
294.08954	18.4
309.01880	3.2
309.07703	100.0
309.11304	34.3
332.54529	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30349	1.0
55.22175	1.1
55.53974	1.0
59.01382	13.7
61.98815	1.1
70.23513	0.8
78.88128	1.0
96.95978	1.6
108.41713	1.3
123.45142	1.1
144.45540	1.1
146.03731	4.2
160.50108	1.1
161.06081	1.3
164.04752	1.3
179.07132	1.4
203.07240	1.5
205.75827	1.1
235.07698	1.3
237.09053	1.3
238.06267	2.3
247.07622	7.0
248.08508	1.3
251.07103	4.7
259.07770	1.9
261.05536	2.3
263.07141	6.1
264.08035	1.3
265.08737	22.8
275.07193	10.2
276.07892	17.1
278.09161	1.5
279.06708	11.2
281.08127	1.3
293.08228	10.3
294.09006	72.1
309.07828	6.8
309.11316	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.5
62.27494	1.2
74.51416	1.1
80.96525	8.4
90.98579	14.1
106.55552	1.2
121.02966	5.9
153.63972	1.3
159.04530	2.7
174.93581	1.3
178.96591	1.3
207.08224	1.9
209.06174	3.0
223.07674	7.4
233.06013	9.8
235.07683	8.5
246.84044	1.5
249.05545	2.4
250.06381	3.0
251.07170	30.1
260.89157	1.4
261.05566	31.9
262.06302	11.4
263.07187	28.2
264.04355	5.6
264.08038	2.0
277.05005	2.1
278.05905	8.0
278.09595	10.4
279.06656	100.0
293.08310	7.2
294.08981	34.6
309.11368	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	309.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	9.9
61.87374	0.7
74.89703	0.8
75.54753	0.7
83.05029	1.1
96.96014	1.2
99.31535	0.8
132.05809	0.8
177.16443	1.6
203.14453	5.3
219.13885	2.0
221.15475	100.0
247.13493	0.9
265.14502	7.8
305.55783	0.9
309.13483	71.6
309.20673	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	309.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81136	0.2
55.42479	0.2
59.01382	100.0
59.51679	0.2
63.55437	0.2
68.41418	0.3
71.01384	1.8
73.02959	0.5
85.02969	0.5
92.22942	0.3
101.02444	2.8
113.02449	1.3
134.03717	0.4
161.04594	0.7
193.05106	1.7
249.13426	6.9
269.40900	0.3
309.15588	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1744
Annotation	Bestatin (hydrochloride)
Peak:m/z	Relative Intensity
63.88760	0.3
70.89056	0.3
71.09070	0.3
73.66500	0.3
79.95728	3.0
96.96001	46.8
122.97578	2.5
161.35094	0.3
171.10258	0.5
171.52386	0.3
181.40674	0.3
185.11945	0.4
210.65710	0.3
280.73367	0.4
309.17456	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74022	0.5
57.61206	0.5
59.01383	14.9
59.13324	0.5
64.23576	0.6
69.74146	0.6
72.22459	0.6
73.94234	0.6
79.35504	0.6
90.94723	0.5
91.36567	0.6
143.74139	0.6
181.54874	0.7
227.20181	100.0
261.69986	0.6
291.19821	0.8
309.17331	2.4
309.20520	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	309.2074
Annotation	(9R,10E,12Z,15Z)-9-Hydroperoxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.66861	0.9
55.87394	0.8
56.84287	0.9
59.01376	2.0
71.00551	0.8
71.05000	1.5
83.05054	1.1
97.06558	1.4
111.08164	2.2
121.10223	1.4
126.64416	1.0
127.11283	5.0
137.09695	3.8
149.36615	0.9
151.11211	1.0
153.12837	1.8
155.10783	6.4
165.12871	1.4
167.10756	2.0
171.10327	7.7
179.10750	1.2
179.14465	2.4
181.12334	2.2
185.11870	2.0
195.13924	1.8
197.11867	5.2
233.15443	1.1
239.16573	5.0
247.20679	6.4
251.16562	3.7
273.18591	1.9
281.21295	1.4
291.19681	26.5
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	(9R,10E,12Z,15Z)-9-Hydroperoxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
50.95127	0.8
54.26938	0.8
55.30288	0.8
56.25573	1.0
59.01381	1.9
69.03442	1.8
75.39658	0.9
83.05009	1.1
94.32655	1.2
98.32781	1.0
107.08653	1.3
108.90498	1.0
111.69175	1.0
119.07994	1.2
119.08658	20.4
125.09718	4.8
127.11285	4.7
137.09711	22.5
155.10774	2.1
167.10713	4.1
171.10262	64.2
182.62721	1.0
183.10263	6.6
185.11873	15.3
201.11366	4.7
212.08945	1.0
213.11331	7.3
229.19670	1.5
273.18591	8.1
291.19733	19.6
309.20731	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	(9R,10E,12Z,15Z)-9-Hydroperoxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
59.01372	4.7
71.05027	2.7
73.36128	2.6
78.01713	2.4
79.23530	2.2
84.05993	2.4
94.43973	2.4
111.08157	25.7
112.29636	2.5
113.94007	2.4
126.57387	2.7
153.12889	3.2
169.12366	14.8
169.19684	2.7
171.10193	3.7
181.12321	4.3
190.64740	2.8
197.11838	90.8
205.39383	2.7
209.15469	44.8
210.54173	2.6
211.13454	9.9
221.15631	2.7
223.17018	17.9
231.57083	2.6
233.15584	7.9
251.16484	31.3
269.96860	2.8
273.18689	6.0
291.19690	40.4
297.18387	3.0
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	309.2073
Annotation	(8E,10S,12Z,15Z)-10-Hydroperoxyoctadeca-8,12,15-trienoate
Peak:m/z	Relative Intensity
59.01381	1.8
71.05023	1.4
75.34393	1.3
79.35324	1.4
80.02676	3.4
81.03473	2.7
83.05022	22.6
84.02149	6.1
96.96003	1.6
97.06580	1.7
99.08123	1.8
109.06610	2.2
123.04571	1.6
125.09738	5.8
127.11271	6.4
137.09720	51.2
139.11281	7.6
151.11324	2.0
153.09218	7.7
155.10799	37.1
165.12764	2.1
167.10757	2.6
171.10266	46.2
177.12877	1.8
182.87982	1.5
193.12346	20.3
211.13409	5.3
247.20708	3.0
263.20181	3.4
265.21735	6.8
291.19705	75.6
309.17599	5.0
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	309.2075
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
55.33458	1.1
57.03450	2.0
78.84490	1.3
81.03450	2.8
83.01382	8.2
83.05031	3.5
88.25337	1.2
97.06599	2.7
123.04510	2.6
123.08176	2.5
125.06011	2.2
125.09718	13.7
134.64883	1.5
135.08044	1.4
139.11305	20.2
140.57344	1.3
163.11282	9.7
165.12854	12.9
167.10767	6.4
168.11598	1.6
181.12283	2.7
191.10825	2.6
193.15968	1.8
207.10225	2.3
209.11865	56.6
211.13388	1.9
226.12114	1.6
247.20647	11.9
265.21759	5.3
273.18558	1.6
291.19714	100.0
309.20749	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	309.2074
Annotation	(9R,10E,12Z,15Z)-9-Hydroperoxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
54.02426	1.6
57.03460	2.2
59.01382	3.2
63.52840	1.5
69.03455	3.4
78.83043	1.8
119.08655	17.8
125.09705	3.3
127.11287	2.3
137.09715	28.7
139.11237	2.4
155.76031	1.9
168.30048	1.8
171.10269	100.0
183.10254	2.3
185.11858	25.1
201.11359	4.6
213.11290	8.7
225.21532	1.8
233.15506	2.3
251.16638	7.3
262.11938	2.2
273.18570	11.6
291.19727	35.3
309.20721	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	309.2074
Annotation	13(S)-HPOT
Peak:m/z	Relative Intensity
59.01376	7.6
63.47655	2.8
72.40745	3.1
83.05062	4.4
97.06592	19.8
111.08173	18.1
114.15057	3.4
120.41783	2.9
121.56021	3.0
133.50894	3.5
155.59915	3.5
165.12845	100.0
167.49530	3.5
172.44563	3.1
183.13907	45.9
265.21677	4.0
291.19693	4.4
309.17365	6.7
309.20642	24.9
309.24057	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70377	0.9
57.03448	1.2
59.01364	1.4
61.84097	0.7
63.34779	0.7
64.83773	0.9
67.07090	0.7
68.13967	0.9
80.75964	0.9
83.05029	4.9
89.96718	1.1
96.96043	1.1
97.06574	15.1
111.08144	13.8
137.09706	1.0
149.09691	1.3
157.55751	1.0
159.08377	1.0
163.11272	2.0
165.12837	100.0
171.10419	1.2
181.83679	0.8
183.13918	10.6
209.11830	5.8
210.86618	0.9
227.12996	1.9
265.21722	15.6
291.19775	1.5
309.17291	3.7
309.20755	10.6
309.24268	2.2
329.36316	1.0
332.61984	1.0
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	(9R,10E,12Z,15Z)-9-Hydroperoxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
58.77350	1.3
62.30605	1.2
78.79979	1.3
86.28659	1.6
111.08158	22.3
128.04515	1.5
151.11296	1.9
169.12318	8.8
181.12369	2.4
183.13879	2.0
197.11841	100.0
211.13409	11.6
225.14771	1.8
250.43948	1.9
263.20190	3.5
265.17993	2.2
291.19690	23.5
309.20734	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	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05021	11.7
72.40924	0.9
92.22509	1.8
96.95992	5.6
97.06554	2.4
98.98152	1.1
107.05047	1.4
121.10222	13.6
123.08124	1.8
125.09707	9.0
137.09706	12.3
171.10266	21.4
185.11829	15.4
197.11873	2.1
204.03688	1.0
235.16885	1.9
251.16539	22.0
268.79797	1.1
273.18585	1.0
291.19687	56.1
309.17712	4.8
309.20721	100.0
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
59.01384	2.7
62.53149	1.3
67.01929	1.4
80.02673	10.0
81.03442	2.4
83.05033	26.5
84.02173	7.2
84.22153	1.3
92.23083	3.1
97.06599	2.0
99.08148	2.5
115.07655	2.3
125.09723	2.8
127.11275	2.5
137.09711	49.9
139.11284	16.2
153.09227	7.9
155.10774	39.3
167.10733	3.4
171.10266	51.2
193.12343	14.7
209.11842	2.3
211.13397	7.8
247.20641	2.1
263.20236	7.0
265.21738	1.8
291.19702	50.4
309.20767	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	309.2075
Annotation	(9R,10E,12Z,15Z)-9-Hydroperoxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
52.53548	4.3
55.23164	4.9
57.03450	11.0
59.01371	23.2
60.02457	5.4
75.87998	4.0
76.01921	4.1
81.03451	5.4
83.04999	7.1
89.59592	6.2
96.96027	10.7
97.06607	6.5
111.08171	5.4
113.03278	5.5
113.09698	7.1
113.25859	5.6
124.27380	5.6
151.11278	26.1
165.12845	31.2
167.10812	8.6
171.10295	24.6
181.12364	38.2
185.11794	11.5
191.10756	9.4
209.11870	100.0
247.20616	8.9
291.19656	56.4
309.17307	28.7
309.20737	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	309.2073
Annotation	(9R,10E,12Z,15Z)-9-Hydroperoxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
57.03434	1.6
63.22464	0.9
63.26365	0.9
64.73813	0.9
67.84101	0.9
71.05019	10.9
77.78944	1.0
96.63862	1.1
97.06592	5.2
107.13168	1.0
112.53387	1.2
121.10233	12.9
123.08136	1.0
125.09713	7.9
137.09721	14.5
171.10269	24.6
185.11844	12.3
195.88411	1.1
197.11795	1.7
209.11801	1.1
211.13422	1.6
223.13425	1.0
237.15010	1.2
247.20822	1.5
251.16547	25.4
260.82367	1.2
291.16284	1.6
291.19662	62.0
309.20737	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	309.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37313	0.9
59.01379	1.4
60.99083	0.9
70.41547	1.0
77.44308	0.7
79.31523	0.9
80.84496	0.9
84.24201	0.8
85.92458	0.8
93.08299	1.0
108.56421	1.0
109.06612	1.0
128.72208	0.9
153.12852	1.7
156.23500	1.1
206.09424	0.9
220.62297	1.0
265.25369	2.4
309.20953	5.5
309.24353	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	309.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20554	0.6
56.57399	0.6
59.01369	1.7
83.05012	0.7
86.31648	0.9
111.08125	1.0
113.09708	1.4
125.76472	0.8
151.11267	1.7
165.83028	0.8
171.10255	1.5
179.14366	12.4
197.11797	1.7
209.11829	1.7
232.67880	0.9
277.21735	60.3
291.19638	4.6
309.17239	2.7
309.20795	11.9
309.24341	100.0
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	Methoprene
Peak:m/z	Relative Intensity
51.26244	1.5
58.72375	1.5
59.01380	7.4
89.44585	1.7
96.95977	2.8
100.87080	1.6
107.58293	1.4
131.35428	1.8
132.19724	1.6
142.39806	1.5
160.44179	1.6
205.43445	1.8
277.21738	88.3
309.21149	4.0
309.24374	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	309.2801
Annotation	Delta2-cis Eicosenoic Acid
Peak:m/z	Relative Intensity
54.76719	0.5
66.47392	0.5
83.03086	0.6
103.86978	0.6
152.54980	0.7
155.28522	0.7
162.74364	0.6
309.28018	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1159
Annotation	N,N-Dimethylguanosine
Peak:m/z	Relative Intensity
59.01395	0.3
73.04094	0.3
77.01019	0.4
81.86859	0.4
89.95357	0.3
96.71052	0.3
107.05058	0.3
133.01561	13.2
163.04959	0.4
178.07346	100.0
192.09045	1.2
195.37564	0.3
220.08473	1.2
227.44969	0.3
310.11597	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	311.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69961	0.6
57.03447	1.1
59.01375	1.3
64.33746	0.8
65.46980	0.7
71.01385	0.9
72.21494	0.8
72.99311	1.3
75.00864	22.8
85.02945	3.1
87.00930	0.7
89.02501	0.8
99.00883	6.7
101.02473	0.8
119.05014	74.7
124.86391	0.8
129.01927	10.9
143.95782	0.8
147.03008	13.2
152.44341	0.8
163.04005	100.0
165.04037	95.4
165.77493	0.7
275.24634	0.7
311.07703	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	311.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16967	0.5
57.03462	0.9
59.01376	2.8
64.18365	0.5
72.99296	0.7
75.00867	19.9
81.09157	0.5
85.02943	2.1
87.00874	2.2
89.02446	0.6
92.22492	0.6
99.00878	3.7
100.96772	0.5
101.02412	0.7
119.05018	35.6
129.01938	12.4
147.02968	5.5
163.04013	46.1
165.04042	100.0
212.45528	0.6
311.07761	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	311.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35641	0.7
52.67361	0.5
56.39911	0.7
59.01383	0.7
87.52978	0.6
102.34777	0.7
121.02906	0.7
135.04544	0.9
149.02464	6.7
152.01158	4.8
163.03946	1.3
163.78897	0.7
164.04813	17.8
169.05130	1.0
171.14369	0.6
179.07141	9.1
186.21550	0.7
193.01457	7.7
208.03780	63.5
223.06128	100.0
311.07977	1.1
311.11536	0.9
311.15085	1.4
329.09848	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15396	0.4
53.49887	0.4
55.53933	0.4
58.74538	0.4
59.01376	0.5
75.00871	1.8
85.02946	1.2
106.71957	0.4
110.25000	0.6
119.05016	59.7
129.01950	0.6
147.03015	1.1
163.04013	100.0
165.04041	9.1
167.83170	0.5
171.29797	0.6
188.01653	0.5
293.95670	0.6
311.07764	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	311.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70178	0.4
70.81223	0.4
77.21423	0.4
87.00883	0.4
89.02393	0.5
93.15374	0.4
94.04095	0.7
96.96027	0.7
103.35251	0.4
106.73314	0.5
115.11543	0.4
118.05095	6.1
121.02930	0.4
135.04518	1.5
149.02434	7.2
152.01180	5.4
153.07771	0.8
161.08943	0.4
163.04028	1.9
164.04790	19.8
167.03595	1.4
167.11917	0.5
169.05051	2.6
179.07161	8.3
192.11464	4.2
193.01413	5.1
208.03784	62.4
210.12515	1.5
223.06122	100.0
249.94316	0.4
278.79327	0.4
311.07834	2.0
311.11615	0.5
311.17435	0.8
311.29758	0.6
319.65302	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11385	1.0
59.01384	50.9
62.96458	0.9
63.40946	0.9
65.30845	1.0
71.01379	34.9
72.99315	1.1
73.02945	11.9
85.02973	1.9
89.02439	100.0
97.02894	1.1
99.00880	32.1
101.02448	35.9
108.35640	1.2
113.02433	6.4
119.05017	5.4
125.02364	1.5
131.03491	10.3
143.03453	2.2
149.04549	37.1
152.48993	1.2
163.04024	6.8
191.05611	13.5
221.06729	2.6
247.08321	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01098	4.6
59.01382	100.0
71.01379	49.3
71.06332	2.2
72.25529	2.5
73.02935	40.0
75.20503	2.3
83.01379	3.1
85.02956	5.1
87.00890	10.4
89.02441	99.3
89.03564	11.9
96.96005	24.8
99.01993	3.7
101.02439	50.3
113.02421	14.6
113.03535	3.8
114.01849	2.9
116.07145	11.1
117.02998	3.5
119.03489	6.3
126.98883	27.6
131.03485	23.1
131.04602	17.2
132.04199	8.5
142.02570	33.6
143.00963	3.6
149.04546	33.3
161.04561	6.1
165.82114	2.4
168.99902	3.3
185.03194	5.3
191.05629	13.5
193.07135	6.1
218.29364	2.6
222.14822	2.8
224.96439	5.5
232.05730	5.1
249.12045	2.7
251.11255	4.0
261.31479	2.8
275.06265	3.8
310.96704	12.1
311.09845	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	311.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21818	1.0
57.66912	1.3
59.01381	100.0
65.14126	1.0
65.54469	1.1
65.77193	1.2
68.28928	1.3
68.88536	1.4
69.26503	1.1
71.01376	7.9
73.02927	1.7
81.49213	1.1
83.01355	1.2
85.02963	2.3
96.61135	1.1
98.58606	1.1
99.00872	1.7
101.02459	8.7
104.68515	1.2
113.02491	1.4
119.04996	2.9
134.03690	9.0
142.06555	2.2
149.06091	1.5
161.04605	1.9
163.04022	6.1
165.04028	2.4
193.05014	8.4
209.82271	1.3
247.28583	1.6
267.07391	10.5
269.10266	5.1
308.60522	1.2
311.07623	2.2
311.11063	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	311.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72068	0.5
52.96800	0.4
54.64635	0.4
59.01383	100.0
69.87264	0.4
71.01386	1.9
73.02968	0.7
75.54628	0.5
83.01398	0.5
85.02951	1.1
86.86420	0.4
98.90984	0.4
101.02457	3.1
113.02445	0.8
122.71837	0.4
142.65071	0.5
161.04585	2.5
251.11345	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	311.169
Annotation	TRIPTOPHENOLIDE
Peak:m/z	Relative Intensity
55.13637	0.3
58.69068	0.2
76.84644	0.3
94.87031	0.3
98.95572	1.5
100.14230	0.3
101.02544	0.3
109.58208	0.3
150.49457	0.3
160.41830	0.3
170.00346	0.4
183.01215	19.5
185.75807	0.3
195.42845	0.3
254.63316	0.3
303.93887	0.3
311.16910	100.0
311.22617	2.8
315.97122	0.4
330.56339	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66901	1.5
57.99330	6.1
58.53739	1.1
59.01403	1.4
66.05461	1.3
68.02512	2.1
72.00877	1.2
74.02471	43.6
74.02852	2.5
89.95621	1.2
95.56932	1.3
98.02453	1.8
99.00904	2.0
106.62328	1.2
117.18856	1.4
118.05092	10.1
126.06704	7.3
129.05817	1.8
130.02258	1.4
133.05150	8.8
142.06667	1.9
147.06769	3.1
150.09126	1.5
151.11087	2.0
152.11923	87.7
161.04767	1.9
161.08305	1.6
165.10287	4.5
178.90591	1.4
182.12961	1.7
187.18233	1.2
190.12212	2.6
192.11456	2.3
192.15079	28.4
208.03789	1.9
219.16145	100.0
223.06236	2.8
225.16171	10.3
231.16119	2.8
236.14107	18.8
249.06451	1.8
249.17174	32.0
254.15097	22.1
267.07602	11.4
267.18188	10.0
298.43851	1.3
311.12085	2.0
311.17300	54.5
311.29590	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	311.1868
Annotation	Granisetron
Peak:m/z	Relative Intensity
52.02575	0.6
53.58516	0.6
56.71025	0.6
57.98738	0.7
75.37534	0.6
76.71461	0.7
79.30061	0.8
97.06614	1.5
103.81261	0.7
111.08131	1.7
113.09715	3.5
147.27554	0.9
153.12823	1.6
157.08699	7.3
167.14374	3.9
171.10339	1.1
205.00130	0.8
207.17526	1.3
211.13351	3.5
221.87274	0.8
223.20702	3.9
237.14980	1.2
249.18581	7.1
254.71323	0.8
267.19687	100.0
275.16534	9.8
293.17621	34.6
293.21207	10.7
311.18658	57.9
311.22330	43.7
330.38739	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	4.1
58.00599	0.5
59.01371	0.9
71.05022	0.4
85.02933	2.7
86.39267	0.3
87.04507	21.1
132.16595	0.4
136.01558	0.4
223.17033	54.5
223.30211	0.4
235.16991	4.7
253.18210	0.4
275.03500	0.4
275.20169	2.8
293.21246	6.0
309.20758	1.4
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	311.223
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22807	0.9
57.03439	1.1
58.00584	4.7
63.24516	0.8
73.02947	1.2
76.72608	1.0
84.13676	0.9
121.63997	0.9
125.09699	1.3
127.07621	2.3
127.11275	4.2
155.10759	2.4
165.09229	1.2
171.10248	4.8
178.89687	1.2
183.13910	18.1
195.13902	1.2
200.99997	1.0
201.11348	41.0
213.14980	5.7
223.13306	1.3
223.16991	5.2
228.56746	1.1
241.14491	4.7
244.80399	1.1
275.20123	2.3
285.10876	1.1
293.21298	5.7
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	311.2229
Annotation	9(S)-HPODE
Peak:m/z	Relative Intensity
52.57355	0.6
61.79904	0.6
72.87539	0.6
83.05045	1.1
106.93830	0.8
124.40230	0.7
127.11288	4.2
137.09764	0.9
139.11281	11.4
144.79666	0.7
145.72896	0.8
150.15935	0.8
155.10760	1.5
162.20328	0.9
171.10268	45.6
183.01268	1.4
183.10220	2.8
183.13954	0.9
185.11841	5.9
197.02783	0.8
199.29410	0.9
201.11342	4.9
260.43604	0.8
275.20255	1.1
293.21240	12.6
311.16830	31.4
311.22293	100.0
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	Unknow
Peak:m/z	Relative Intensity
57.03444	5.1
59.01390	0.7
59.17545	0.7
70.91652	0.7
83.64986	0.8
85.02945	1.9
87.04505	18.7
88.89359	0.7
93.21388	0.8
223.11127	0.9
223.17053	56.4
235.17058	5.2
275.20117	4.4
292.40002	0.8
293.21341	6.8
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(S)-HPODE
Peak:m/z	Relative Intensity
57.03428	0.8
73.02945	0.7
83.05082	0.6
86.59229	0.6
94.62183	0.7
121.10195	1.3
125.09688	1.5
127.11270	4.2
139.11304	13.6
141.12842	1.2
143.07397	0.8
155.10768	1.6
157.08682	1.8
171.10255	43.4
185.11800	5.8
201.11346	6.6
211.13255	1.5
249.22253	1.4
275.20160	1.7
293.21289	25.0
311.22293	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2229
Annotation	9(S)-HPODE
Peak:m/z	Relative Intensity
58.22542	0.5
58.23575	0.5
104.56985	0.5
109.76821	0.5
110.99982	0.6
111.08131	1.4
113.09756	0.8
127.11259	0.8
139.07695	0.9
140.34320	0.6
141.09183	2.6
155.10788	3.0
171.10272	3.0
187.09749	3.9
191.18204	0.8
191.31596	0.7
247.20717	0.8
265.21750	8.5
293.21298	5.8
311.16608	2.9
311.22305	100.0
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
58.62041	0.8
59.01377	1.7
74.81034	0.9
82.37332	0.9
84.10004	1.0
92.22478	1.2
99.08128	1.7
111.08056	1.2
113.09691	2.3
121.10254	2.3
125.09702	1.9
127.07636	1.0
129.09204	1.7
132.97415	1.2
139.11269	10.3
147.70973	1.3
155.10765	1.4
171.10271	24.7
180.57773	1.1
181.12332	4.2
183.10265	1.7
185.11797	1.4
189.16333	1.0
193.12241	3.6
197.11830	1.3
204.69646	1.1
211.13399	3.8
244.62372	1.3
293.21201	16.8
311.22299	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	311.2231
Annotation	9(S)-HPODE
Peak:m/z	Relative Intensity
80.66434	1.0
91.70104	0.9
99.08184	1.6
113.09708	2.4
116.75602	1.0
125.69515	1.0
127.11282	1.0
129.09245	1.7
139.11278	4.0
160.51266	1.1
171.10262	20.8
181.12321	4.4
183.13904	2.0
185.11870	1.9
197.11902	9.1
199.13332	1.5
201.11359	1.7
203.93845	1.2
211.13400	12.8
275.20270	2.0
280.96927	1.0
293.21216	10.6
311.22321	100.0
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
54.53192	0.4
56.34121	0.5
57.03444	2.9
59.01376	0.7
61.85554	0.6
61.86626	0.5
66.90305	0.5
85.02947	1.4
87.04510	16.6
135.81459	0.7
154.15732	0.6
159.13332	0.6
183.14058	0.6
211.13603	0.7
223.17030	41.8
235.17046	3.4
253.18066	0.8
262.50381	0.7
275.20251	4.5
293.21329	6.6
309.20761	1.3
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	311.223
Annotation	9(S)-HPODE
Peak:m/z	Relative Intensity
52.85741	0.8
57.03447	1.0
59.01377	0.9
61.23773	0.8
97.98914	0.8
99.08156	1.7
111.08080	0.9
113.09694	1.0
113.87579	0.9
121.92846	0.9
125.09682	1.5
129.09213	2.0
130.06631	1.0
133.43253	0.9
139.11288	5.6
169.12373	2.2
171.10246	16.9
176.39935	0.9
181.12401	4.2
183.13870	1.9
185.11856	3.8
197.11821	8.1
199.13387	4.3
201.11296	2.0
211.13388	14.6
252.49953	0.9
263.23907	1.0
268.40018	1.1
269.49728	0.9
290.96533	1.1
293.21249	11.0
302.82684	0.9
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	311.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77118	2.3
57.03441	3.1
74.65238	2.8
80.23798	2.8
87.31590	2.8
113.09700	3.4
125.09724	4.5
155.10759	22.0
171.10277	4.9
185.11812	6.6
197.11803	3.3
293.21246	100.0
311.16895	18.7
311.22183	50.9
311.29422	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	311.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28249	0.4
56.89909	0.4
59.01374	0.6
67.34551	0.5
76.42387	0.4
86.20696	0.4
97.06520	0.6
155.14445	1.0
165.12863	3.3
171.10278	0.6
174.16783	0.4
181.12317	0.5
187.02759	0.4
191.53516	0.5
199.13432	11.1
249.22247	1.1
255.07242	0.4
267.23065	0.5
293.21564	0.7
293.24893	16.1
302.88641	0.4
309.24365	0.9
311.16745	2.5
311.22470	7.1
311.25922	100.0
333.39651	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.0
68.93608	0.3
88.88334	0.3
116.01907	0.4
155.10780	21.3
155.14418	2.1
171.10245	0.7
249.22206	4.2
267.23203	2.8
275.23792	0.6
283.22717	0.6
293.24893	21.8
309.24472	0.7
311.16776	2.1
311.22562	4.7
311.25925	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	311.2958
Annotation	Arachidic Acid
Peak:m/z	Relative Intensity
51.77207	0.5
62.82602	0.5
71.15799	0.5
95.75709	0.5
108.38745	0.6
177.75781	0.5
233.92427	0.6
243.71913	0.7
311.29584	100.0
321.86603	0.6
331.02548	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.0517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39352	0.7
57.16079	0.8
76.01922	1.7
79.11044	0.8
119.05019	3.6
120.05354	1.6
153.45193	0.9
155.68222	0.9
163.04022	1.7
164.04361	4.3
194.06088	14.5
195.06821	1.3
196.07678	17.2
198.05580	1.1
200.07201	2.1
208.04025	4.0
209.04828	8.1
210.05621	13.5
212.07181	26.0
222.05620	9.8
224.07166	83.1
228.06752	2.0
238.05135	9.3
268.06165	100.0
312.05130	17.1
318.35776	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1008
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92921	0.3
91.55135	0.4
93.03442	1.1
98.14671	0.4
108.05423	0.5
109.02908	1.0
119.05039	0.6
121.02949	17.7
135.04550	0.7
146.97533	0.5
147.04489	4.0
159.04506	1.7
159.39410	0.5
163.04002	3.1
175.04005	26.4
187.04012	0.7
188.04758	0.6
189.05629	0.6
190.06404	5.7
203.07156	1.8
207.08076	0.6
209.06117	1.0
212.04695	0.7
221.06076	0.8
222.05275	8.0
223.07637	3.0
225.05537	2.3
227.07164	0.6
233.06180	1.7
234.06871	0.6
235.07674	0.8
236.04720	0.5
237.05539	0.7
239.07133	7.1
240.04279	0.7
240.08011	0.9
241.05014	2.3
241.08693	3.3
249.05524	2.7
250.06386	2.4
251.07040	6.8
252.07704	0.8
253.05089	1.8
253.08745	2.5
254.05815	2.8
261.05621	2.4
262.06265	0.7
264.04205	0.6
265.08755	1.0
266.05859	0.6
267.06616	10.2
268.07394	4.7
269.08215	24.9
277.05093	0.7
278.05832	2.2
279.06616	11.4
280.07495	0.9
283.09888	4.2
293.08340	0.7
295.06253	0.7
295.09604	0.8
296.07016	3.5
297.07700	86.1
311.09354	2.6
312.10074	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21310	0.9
55.22519	1.2
59.01381	1.4
67.10266	1.1
67.42036	1.1
70.42291	1.1
82.87967	1.1
95.60884	1.5
125.07172	1.3
133.05313	2.1
134.03723	2.9
135.04532	19.3
147.04504	1.5
148.05307	99.8
176.03517	6.7
177.04317	1.8
178.05112	56.5
190.05115	18.9
227.93910	1.2
297.10117	12.9
312.12451	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	312.1723
Annotation	His Gly Val
Peak:m/z	Relative Intensity
53.16591	0.2
56.77295	0.2
66.07776	0.2
79.95744	0.3
83.00063	0.2
98.95574	1.3
110.06750	0.2
170.00426	0.3
183.01196	8.8
184.01523	7.8
185.02217	0.3
238.89607	0.2
312.17221	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02981	4.7
64.41148	0.8
69.65099	0.8
84.04549	8.0
84.16898	0.9
100.07662	8.1
102.05603	69.0
165.12866	5.7
182.15479	3.4
184.53009	0.9
197.79893	0.9
207.17593	9.4
222.18663	5.0
224.20215	13.5
230.06114	1.0
250.18153	30.2
268.19165	22.0
294.17163	10.8
312.18219	100.0
327.30859	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2548
Annotation	(+)-Prosopinine
Peak:m/z	Relative Intensity
57.03448	4.2
58.02986	8.5
58.03228	0.9
61.79174	0.9
71.05009	9.4
74.67914	0.9
76.99651	0.9
83.05021	1.7
83.22643	1.2
111.08152	11.9
127.11287	11.0
128.10806	5.6
132.81819	1.0
138.09233	4.5
141.12880	23.6
152.10852	3.1
155.14459	2.1
156.10300	19.0
160.20094	0.9
165.12834	6.1
166.12428	1.3
170.11855	17.2
181.16084	1.7
184.13474	6.9
276.23340	6.3
285.60385	1.1
292.22879	5.9
294.21146	1.7
294.24417	46.3
312.22662	3.9
312.25510	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0721
Annotation	3,7-Dihydroxy-3',4'-dimethoxyflavone
Peak:m/z	Relative Intensity
54.01250	0.6
69.13853	0.6
85.08169	0.7
85.10281	0.7
105.05551	0.9
110.36500	0.7
129.89467	0.8
183.04630	0.7
211.04059	3.7
217.34462	0.9
223.58371	0.7
225.14909	3.4
227.03528	3.4
229.08792	0.8
239.03490	1.1
255.03023	31.5
269.13858	1.5
270.05341	7.9
283.02499	57.7
298.04846	100.0
313.07202	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	313.0787
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71346	0.3
59.96724	0.8
62.30947	0.3
74.24579	0.4
74.99068	19.8
75.96202	0.7
76.03319	0.3
81.77203	0.4
83.64246	0.4
86.93035	0.4
88.65192	0.4
91.02199	100.0
93.00114	8.7
116.37039	0.4
136.65654	0.4
142.23817	0.4
179.85934	0.5
256.34879	0.4
277.63950	0.4
297.04745	3.2
299.02750	0.5
313.16678	6.0
313.23926	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	313.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25538	1.7
54.61520	1.5
56.62457	1.7
59.01382	100.0
71.01375	56.0
72.99279	2.4
73.02934	3.2
85.02962	3.7
87.00865	4.5
89.02438	98.8
101.02436	58.2
113.02443	27.8
119.03503	31.1
131.03496	4.9
133.05058	35.2
142.02574	3.2
143.18626	2.1
149.04546	4.8
151.06071	18.8
161.04514	9.7
172.99379	16.5
179.05583	29.7
184.16182	2.0
196.83659	1.9
206.97519	1.9
215.00623	3.7
253.09302	46.7
313.11459	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	313.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.2
55.68710	0.7
56.77346	0.7
59.01382	0.8
67.03008	4.5
69.04564	1.5
71.01388	0.9
72.00896	1.5
74.03591	12.3
79.03016	7.9
80.02528	2.0
81.04574	4.8
85.02979	1.1
94.04105	23.0
96.05663	8.2
99.00875	26.4
99.08170	6.5
100.04033	1.4
112.05184	0.9
113.09727	8.2
114.58279	0.8
115.12810	0.9
116.03522	5.2
118.05103	4.9
123.04387	1.5
137.09763	1.5
149.02348	0.8
153.10263	1.5
194.13019	4.9
195.13878	0.9
196.14565	21.3
212.14058	100.0
240.10529	0.9
313.18845	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	313.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30910	0.6
53.60595	0.6
55.01881	1.8
55.75291	0.7
67.03017	4.6
69.04581	1.8
72.00905	1.6
74.03587	11.4
75.15366	0.8
79.03008	8.0
80.02542	1.8
81.04581	4.8
89.24797	0.8
93.04195	0.8
94.04096	26.8
96.05665	7.1
99.00867	21.4
99.08159	8.5
100.04065	1.6
101.36821	0.8
112.05187	1.0
113.09683	7.7
116.03542	5.7
118.05094	6.3
123.04401	1.8
126.68861	0.8
137.09705	3.6
153.10381	1.6
172.63237	0.8
176.11998	0.8
194.13002	7.9
196.14548	21.0
200.62805	0.8
212.14058	100.0
313.18842	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	313.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16964	0.9
58.86936	0.7
59.01369	0.8
83.05015	5.8
95.82825	0.8
102.26891	0.8
106.41797	0.7
107.42759	0.7
111.14526	0.7
113.06072	3.4
115.07636	35.6
115.63721	0.8
121.02926	1.8
125.09708	1.3
127.07647	12.0
141.12854	1.0
163.11267	4.5
165.12819	3.9
181.12325	1.1
185.11841	45.4
185.13507	1.6
191.10764	1.1
195.13898	2.0
197.11836	40.1
209.11842	70.6
221.11777	0.9
227.12930	4.8
239.12958	1.1
267.47513	0.8
277.18103	7.7
295.19141	10.1
313.16769	5.3
313.20236	100.0
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	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
57.08738	0.6
58.00593	3.3
61.44605	0.8
62.65462	0.8
64.85139	0.7
99.08153	17.1
101.09743	1.1
126.24204	0.8
127.07648	4.2
129.09215	30.7
183.13910	52.4
195.13843	7.4
254.93338	0.9
277.21750	7.4
295.22830	13.3
311.22162	1.3
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	313.2387
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
54.89181	0.6
55.25969	0.5
58.00582	1.2
85.01736	0.8
99.08162	15.4
108.57417	0.7
124.81702	0.9
127.07642	3.7
129.09230	25.5
162.26498	0.8
183.13904	50.1
195.13950	3.8
275.55972	0.7
277.21732	4.0
293.73630	0.8
295.22827	8.9
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	313.2388
Annotation	9,10-DiHOME
Peak:m/z	Relative Intensity
53.26571	0.8
57.22358	0.8
57.32766	0.8
58.00597	0.9
61.83677	0.7
63.55470	0.8
64.39626	0.8
71.01776	0.9
73.02943	1.0
75.86595	0.9
118.77760	1.0
125.09703	6.2
127.11311	6.5
155.10754	4.8
157.12360	1.1
165.09235	3.6
171.10292	10.4
183.10271	1.3
190.12361	0.9
199.09761	1.8
201.11345	75.3
255.16435	0.9
277.21735	8.3
295.22894	3.4
313.23880	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	313.2388
Annotation	(9Z)-(7S,8S)-Dihydroxyoctadecenoic acid
Peak:m/z	Relative Intensity
68.96434	0.5
75.00867	100.0
92.33187	0.6
121.79428	0.6
125.02310	0.5
185.57997	0.7
196.51521	0.5
255.23326	48.5
313.23862	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	313.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	5.1
69.03456	0.5
75.90372	0.5
76.91542	0.5
87.48012	0.5
91.02195	8.4
131.63055	0.5
148.75635	0.7
246.31520	0.6
251.23785	0.9
267.26938	78.6
295.26541	3.3
313.27521	100.0
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	Unknow
Peak:m/z	Relative Intensity
51.52943	1.1
66.81050	1.4
69.21163	1.0
69.37374	1.2
75.00854	11.2
78.25662	1.0
172.56479	1.5
238.70178	1.3
239.23744	7.3
255.23361	6.2
259.19308	1.1
274.17267	1.3
283.26459	100.0
313.23758	5.7
313.27493	63.0
321.67068	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	314.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13076	0.3
56.72498	0.4
57.03482	0.5
57.71176	0.3
60.99300	2.1
61.46739	0.3
65.18884	0.3
65.98887	0.4
69.00612	0.4
69.41801	0.3
70.41227	0.4
72.04556	0.8
74.02468	67.7
84.04545	1.9
86.02472	0.8
92.22577	0.6
97.06598	0.9
104.03529	15.1
117.47538	0.5
124.45264	0.5
165.12837	10.6
181.15976	2.8
183.13841	2.8
190.16003	0.6
194.15540	1.0
196.17070	1.9
208.17082	59.2
209.11850	0.6
222.15004	21.5
224.16644	0.7
227.12827	1.0
240.15982	4.2
252.16035	10.0
266.13995	7.2
270.16949	0.5
278.14096	0.6
284.15091	8.6
296.15024	4.1
314.16132	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	314.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85143	0.6
59.01385	1.0
72.01675	0.8
85.02940	0.9
88.04034	0.9
88.10463	0.7
91.42798	0.7
91.44583	0.6
110.02159	0.6
114.05599	100.0
130.08717	0.9
138.05620	0.9
140.07150	6.8
155.08269	1.0
164.34389	0.7
169.09822	30.7
182.08176	0.8
183.14972	0.7
199.10942	14.4
314.09576	3.2
314.13962	1.9
314.17261	47.8
314.20551	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	314.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00596	1.7
63.06870	1.1
86.75758	1.1
99.08151	10.9
100.08530	4.0
104.87465	1.3
127.07639	1.9
129.09216	14.3
130.09523	9.0
149.33203	1.1
183.13898	19.4
184.14258	31.6
195.13937	1.7
202.11668	1.6
224.10805	1.1
278.22049	6.5
296.23230	8.0
314.24203	100.0
316.14923	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57127	0.5
53.86860	0.5
58.90827	0.5
97.05682	0.7
125.09739	3.0
126.10013	2.6
127.11251	5.0
128.11653	3.5
155.10777	2.7
156.11134	2.6
165.09142	1.4
166.09491	2.8
167.95508	0.6
171.10277	5.9
172.10617	4.1
183.10243	0.6
199.09764	1.0
200.10086	1.3
201.11343	32.5
202.11690	38.3
218.41588	0.7
223.14914	0.7
257.98322	0.6
277.05167	0.7
278.22104	7.5
296.23114	3.8
314.24237	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	314.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80238	2.9
57.94329	2.7
62.22652	3.0
64.29882	2.6
68.32510	3.0
70.43605	3.1
86.85181	3.5
91.11927	3.4
113.09731	17.6
124.74233	3.1
139.70857	3.1
143.10780	17.6
170.15520	20.9
172.10315	3.6
180.13942	28.4
198.14989	52.2
202.11682	5.7
203.11926	4.2
205.56306	3.9
210.15021	13.8
224.69072	3.1
294.24384	15.9
296.26089	6.6
312.25449	22.8
314.23578	43.6
314.27084	100.0
319.25751	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	314.2703
Annotation	6-hydroxysphingosine
Peak:m/z	Relative Intensity
58.00597	2.3
58.02969	2.3
58.78085	0.5
73.24605	0.5
73.37460	0.5
75.24437	0.6
99.08150	17.5
123.66871	0.6
127.07642	2.4
129.09204	16.5
166.16002	4.0
167.14401	1.4
184.17064	15.8
194.15511	25.9
195.13898	8.8
196.16975	0.8
212.16563	43.2
222.15047	1.0
224.16594	11.3
225.81584	0.6
229.51959	0.6
241.16924	1.2
242.17647	4.2
264.23282	2.3
278.25006	5.3
282.24377	2.9
294.24353	14.1
295.22681	0.7
296.25952	10.9
297.24222	0.9
312.25458	16.5
314.27057	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	314.2704
Annotation	6-hydroxysphingosine
Peak:m/z	Relative Intensity
50.82744	1.0
52.55204	1.0
58.00592	1.8
58.02977	5.3
69.91375	1.2
85.53026	1.1
99.08156	15.6
127.07623	1.2
129.09222	19.1
130.09557	1.2
130.28874	1.3
166.16040	2.7
181.69608	1.3
183.13925	2.5
184.14285	2.4
184.17039	13.9
194.15546	28.8
195.13910	10.1
212.16573	45.8
212.18486	2.2
224.16591	14.0
242.17700	1.4
270.56378	1.3
278.22217	1.5
278.25043	6.2
282.24231	1.8
294.24435	15.4
296.25897	9.7
297.24472	1.9
312.25467	18.1
314.24066	12.1
314.27118	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	314.2703
Annotation	6-hydroxysphingosine
Peak:m/z	Relative Intensity
57.38921	1.5
58.02966	2.0
70.26400	1.2
88.50636	1.2
95.15747	1.3
103.12219	1.5
124.11308	3.5
134.09842	1.8
141.12857	19.1
142.12370	21.7
143.99342	1.3
152.10823	16.4
153.09178	5.5
170.11867	50.4
171.13867	17.0
182.11887	6.9
200.12973	2.1
228.03992	1.4
238.95395	1.4
278.24817	2.2
282.24512	2.8
284.64444	1.6
294.24380	11.1
296.26038	9.2
311.86035	1.5
312.25446	18.5
314.27081	100.0
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
50.31326	2.0
53.09205	1.7
58.00596	2.6
58.02978	4.8
77.08497	1.8
84.03191	1.9
89.19778	1.9
127.11266	7.6
141.12802	14.0
142.12386	23.9
152.10811	11.0
153.09201	3.8
156.13976	7.6
157.12346	8.1
166.12396	4.6
167.10837	2.0
170.11877	53.9
171.13863	4.0
182.11815	2.8
184.13419	19.8
196.13440	2.0
217.34470	2.3
246.30054	2.0
278.24878	4.5
282.24530	3.6
294.24399	13.7
312.25461	51.1
314.24088	7.5
314.27109	100.0
317.69571	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	315.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38195	0.5
63.33748	0.7
74.46111	0.6
92.52598	0.6
107.01405	0.6
111.10854	0.6
119.04841	0.7
131.71484	0.7
151.00404	2.5
163.00369	1.4
169.48846	0.7
178.21263	0.7
190.56030	0.7
197.11826	6.9
216.04185	0.8
226.02629	0.9
227.03470	3.2
228.04247	0.8
243.02974	15.2
244.03856	6.1
249.09077	0.7
254.02153	1.5
255.03003	31.5
256.03549	2.6
259.06128	1.0
271.02493	59.7
272.03177	9.2
287.05627	2.6
300.02747	83.0
315.05121	100.0
315.14600	4.4
323.92130	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29016	0.5
54.28970	0.5
56.82660	0.5
65.00320	4.6
80.70738	0.6
92.22491	0.9
93.03458	0.7
97.02940	4.6
101.73257	0.6
109.02972	1.3
114.60239	0.7
121.02948	29.3
144.20415	0.7
149.02437	3.6
149.99577	1.0
151.00404	3.0
165.01932	90.2
193.01387	5.4
197.11896	7.8
207.03075	1.0
228.04369	1.0
244.03864	1.3
256.03894	1.0
259.06055	1.3
269.04510	0.9
271.02560	3.3
272.03134	4.0
287.05670	3.8
300.02710	23.4
315.05142	100.0
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
55.34321	0.4
56.78153	0.4
60.35141	0.5
64.25712	0.6
65.03960	3.0
66.15871	0.6
67.01900	0.7
71.01367	1.4
71.12865	0.5
85.02946	0.8
109.02944	100.0
113.02461	0.8
123.04432	0.6
135.00896	3.7
153.01936	69.0
161.04507	0.6
195.28149	0.7
201.50139	0.6
265.61310	0.7
315.07275	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	315.0726
Annotation	DHB2G
Peak:m/z	Relative Intensity
50.11383	0.9
60.14639	0.9
69.05404	1.0
71.01374	1.8
85.02945	2.0
99.00864	1.1
101.02406	2.1
108.02169	73.6
109.02946	34.3
113.02438	1.0
117.01857	1.2
121.02938	1.0
145.27481	1.2
151.99907	2.7
152.01147	82.2
153.01926	30.6
158.09401	1.5
158.89278	1.3
163.04005	1.2
167.73654	1.1
200.14102	2.2
231.78568	1.2
276.95325	1.1
315.07263	100.0
315.16769	7.5
315.19998	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	315.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.76178	0.5
66.69916	0.5
71.01388	0.9
74.02483	0.6
78.95925	0.7
82.23076	0.6
86.23122	0.6
87.05647	0.9
88.04031	2.9
96.00925	0.6
96.99232	0.7
98.02490	0.9
108.57399	0.5
110.03616	0.9
113.03571	0.5
122.45747	0.5
125.07129	1.0
130.08754	3.1
153.05544	1.4
161.04601	0.7
163.48488	0.5
184.07274	3.3
230.02228	0.7
270.85309	0.6
315.08295	1.0
315.13672	1.0
315.16849	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	315.109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52036	0.5
55.59708	0.6
56.06581	0.5
58.73295	0.5
59.01383	100.0
67.20488	0.6
71.01373	10.2
73.02942	3.0
84.55209	0.8
85.02950	3.5
89.65199	0.8
90.85196	0.6
92.70262	0.7
93.03445	17.2
95.01347	1.1
96.04612	0.7
98.93131	0.6
99.00906	1.0
101.02441	8.0
113.02436	7.1
128.79802	0.7
130.08757	1.4
135.26566	0.6
140.43634	0.6
143.03487	0.9
143.11887	1.4
155.99155	0.9
156.00557	0.7
159.02911	2.1
161.04546	20.5
211.57179	0.8
221.13980	0.7
228.09111	1.1
239.04941	0.7
253.11856	1.1
255.08771	5.4
271.10840	1.5
315.12170	4.8
330.53604	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52036	0.5
55.59708	0.6
56.06581	0.5
58.73295	0.5
59.01383	100.0
67.20488	0.6
71.01373	10.2
73.02942	3.0
84.55209	0.8
85.02950	3.5
89.65199	0.8
90.85196	0.6
92.70262	0.7
93.03445	17.2
95.01347	1.1
96.04612	0.7
98.93131	0.6
99.00906	1.0
101.02441	8.0
113.02436	7.1
128.79802	0.7
130.08757	1.4
135.26566	0.6
140.43634	0.6
143.03487	0.9
143.11887	1.4
155.99155	0.9
156.00557	0.7
159.02911	2.1
161.04546	20.5
211.57179	0.8
221.13980	0.7
228.09111	1.1
239.04941	0.7
253.11856	1.1
255.08771	5.4
271.10840	1.5
315.12170	4.8
330.53604	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.109
Annotation	dopaol beta-D-glucoside
Peak:m/z	Relative Intensity
53.43164	0.4
67.38771	0.3
74.02481	0.6
83.03075	0.5
87.05634	0.9
88.04026	1.6
93.03462	0.4
94.04093	0.9
96.00904	0.8
97.87868	0.4
98.02480	0.5
109.02941	6.0
114.05595	0.5
118.05080	0.9
120.28272	0.4
123.04517	40.6
130.08722	5.0
143.11937	0.4
149.37257	0.4
153.02031	4.2
153.05573	100.0
157.13431	0.6
182.09323	0.6
184.07257	3.7
184.98306	0.4
200.14090	0.4
247.06888	0.4
315.07269	2.5
315.10925	5.9
315.16797	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	315.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.7
79.35010	1.5
82.02975	3.3
83.01360	3.0
84.00912	2.7
87.00848	2.2
90.63071	1.4
94.02934	1.5
96.04553	15.9
98.02469	6.6
100.04025	1.9
104.32203	1.4
109.02932	2.1
112.04046	16.3
114.05582	8.6
115.05919	2.3
122.02475	6.1
130.08719	66.9
140.03557	2.7
140.07175	2.8
143.11903	52.8
153.01958	6.1
156.03040	6.8
166.01443	15.9
169.09773	2.8
170.10155	2.7
170.11659	1.5
178.03917	1.7
179.11755	1.9
184.02606	1.7
187.10919	11.9
204.90659	1.4
209.12984	27.4
225.12495	6.7
253.11984	24.1
269.11414	26.0
271.12958	5.4
297.10962	17.4
301.64600	1.4
315.12021	100.0
315.17755	6.6
315.21475	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	315.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73987	0.3
59.01370	1.7
59.29409	0.3
64.27632	0.2
66.50374	0.2
68.79198	0.2
69.03448	1.9
71.01400	0.3
71.05005	1.4
74.99697	0.3
83.93407	0.3
85.68960	0.3
89.02432	0.5
91.03992	1.2
123.08160	0.5
123.74438	0.3
125.09669	1.3
139.42270	0.3
149.13942	0.3
151.11263	1.4
153.12892	2.1
161.09711	2.1
179.10776	7.9
197.11844	100.0
217.12611	0.3
223.09808	1.6
241.10838	9.2
315.14542	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	315.1816
Annotation	Geranyl beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.45245	1.5
55.01872	7.8
57.03429	2.7
58.88482	1.6
59.01105	2.4
59.01384	64.3
71.01378	100.0
71.97597	1.8
73.02940	30.6
75.00835	2.4
83.01382	11.8
85.02940	47.0
89.02442	25.5
91.21278	1.9
95.01369	9.5
97.02989	2.7
99.00871	12.1
101.02441	58.7
105.27288	1.7
113.02448	44.1
119.03488	9.5
121.02951	4.1
141.80101	2.0
143.03513	2.2
159.02945	4.4
161.04544	39.7
165.01926	18.3
193.85034	2.3
245.52115	1.8
300.02597	2.6
300.28497	2.1
315.05002	17.3
315.18179	9.8
338.00519	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	315.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78925	1.9
55.01880	5.1
57.03443	2.7
59.01383	57.7
71.01376	100.0
73.02932	34.1
83.01381	14.6
85.02942	50.6
87.00873	2.4
88.11063	2.2
89.02438	27.7
95.01368	5.6
99.00863	16.2
101.02435	70.2
109.02953	43.7
113.02437	46.0
119.03513	12.3
125.02419	2.7
136.46591	2.6
143.03519	2.9
159.03001	5.0
161.04579	58.2
188.51364	2.2
197.11839	3.5
315.08701	9.8
315.18057	11.5
315.21811	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	315.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45245	1.5
55.01872	7.8
57.03429	2.7
58.88482	1.6
59.01105	2.4
59.01384	64.3
71.01378	100.0
71.97597	1.8
73.02940	30.6
75.00835	2.4
83.01382	11.8
85.02940	47.0
89.02442	25.5
91.21278	1.9
95.01369	9.5
97.02989	2.7
99.00871	12.1
101.02441	58.7
105.27288	1.7
113.02448	44.1
119.03488	9.5
121.02951	4.1
141.80101	2.0
143.03513	2.2
159.02945	4.4
161.04544	39.7
165.01926	18.3
193.85034	2.3
245.52115	1.8
300.02597	2.6
300.28497	2.1
315.05002	17.3
315.18179	9.8
338.00519	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	315.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31713	0.7
57.03463	1.1
59.01384	73.9
62.16140	0.7
71.01383	1.5
77.44543	0.9
83.05024	6.4
85.02952	1.5
95.05022	3.8
97.02934	1.4
97.06580	6.1
101.06075	9.1
109.06590	6.8
113.06066	1.7
137.09734	4.2
139.07648	1.1
147.05493	0.9
149.22147	1.2
297.17087	1.7
306.96579	1.0
315.18195	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	315.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10668	0.6
51.53105	0.6
53.19308	0.5
57.00932	3.6
59.01401	0.6
67.03005	1.3
82.04121	1.1
84.02036	2.9
91.83025	0.6
94.04100	1.6
96.00921	0.8
99.00871	8.0
100.04037	1.2
116.03506	1.0
118.05098	3.1
139.12440	1.1
151.12415	4.6
164.11903	2.8
166.13509	13.0
169.12341	4.8
182.12996	100.0
197.11847	5.0
214.15631	1.3
279.61331	0.8
283.17462	1.0
315.14639	4.2
315.20813	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	315.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15750	0.6
67.64285	0.6
74.28828	0.7
85.02988	0.8
85.06581	4.6
86.45570	0.7
97.06612	0.8
125.09718	4.3
126.15778	0.7
127.11254	3.2
167.14479	1.1
171.10265	8.6
171.24089	0.7
183.13887	8.7
184.55392	0.7
193.12323	3.7
204.19415	0.8
209.11896	1.7
211.13412	48.1
229.14468	28.9
279.19766	1.3
297.20828	1.5
315.21808	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	315.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26731	0.4
58.00600	0.7
59.01381	3.4
83.04989	0.5
85.06590	3.3
90.83154	0.5
99.08159	0.8
109.31558	0.4
113.06091	1.1
115.07654	9.8
129.09219	2.3
151.11259	0.6
153.84032	0.5
155.10782	1.0
167.10825	1.1
169.12325	5.5
181.12360	4.6
183.13965	1.2
185.11853	3.8
193.12355	2.5
197.11795	4.8
199.11714	0.9
199.13429	22.7
211.13425	16.2
227.12906	0.8
229.14505	1.9
261.18814	0.8
279.19644	5.6
295.08435	0.6
297.20724	2.7
315.21826	100.0
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
59.01369	6.4
85.06569	2.0
93.89998	1.2
95.08684	1.2
106.41776	1.1
113.06088	1.3
115.07652	11.6
139.58655	1.4
161.42578	1.2
169.12326	9.4
179.81639	1.2
181.12334	7.5
183.13931	2.6
197.11795	4.3
199.13429	31.4
211.13380	17.0
229.14467	1.7
248.04314	1.4
253.18120	1.4
254.25592	1.5
261.18597	1.7
279.19675	2.6
297.20773	1.8
315.21790	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	315.254
Annotation	9,10-Dihydroxystearate
Peak:m/z	Relative Intensity
53.64996	0.4
67.88935	0.4
103.13080	0.4
127.11288	0.9
141.12856	3.6
143.10745	0.9
155.10799	0.9
171.10272	2.3
171.13885	1.9
189.66827	0.5
201.11324	0.9
243.78345	0.5
279.23257	1.1
295.22900	0.6
297.24393	11.9
308.31766	0.5
313.23822	6.4
315.25412	100.0
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
58.44936	0.4
99.08134	2.1
118.39991	0.4
120.93338	0.4
129.09216	2.2
153.23933	0.4
160.53094	0.4
164.00163	0.4
169.16000	1.0
180.91068	0.5
185.15378	0.7
197.15489	0.8
213.14977	2.9
217.09610	0.4
243.16081	1.7
261.48770	0.4
279.23276	2.1
295.22928	0.9
297.24368	15.1
311.22324	0.5
313.23856	12.3
315.25418	100.0
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
68.85323	0.7
74.48618	0.7
96.25321	0.6
141.03189	0.6
143.10822	0.8
171.10336	0.7
171.13885	1.5
186.28273	0.7
201.11316	1.1
215.58752	0.7
279.23212	3.6
297.24390	12.9
313.23843	8.9
315.25418	100.0
322.05139	0.7
332.49878	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69565	0.4
59.01386	10.4
71.01380	5.8
77.27655	0.5
79.33247	0.5
84.04563	0.6
103.08187	0.6
109.02946	0.9
109.91105	0.5
112.04039	33.2
113.02466	0.7
116.07142	2.6
116.92832	0.8
122.06107	3.2
124.04041	28.7
128.03516	1.2
130.08727	1.1
131.03477	0.6
132.47214	0.5
132.99364	0.5
140.07170	15.2
149.04509	0.8
166.05055	2.5
171.15059	1.0
184.06157	100.0
186.18147	0.5
218.71571	0.5
298.14108	1.0
298.32108	0.6
316.07297	0.8
316.10474	3.9
316.15121	2.1
316.18771	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	316.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
62.97679	2.1
73.04066	2.9
83.82730	1.9
88.83749	2.0
113.93425	2.2
116.07126	3.6
118.77361	2.1
123.63523	1.9
126.05585	2.4
127.08745	2.5
129.10358	3.3
130.08720	89.3
135.91524	1.8
143.11868	7.8
154.54416	2.1
155.08267	13.9
185.16591	37.1
242.18735	31.8
244.26761	2.1
286.17676	25.8
288.92877	2.0
316.15515	3.5
316.18811	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1606
Annotation	Eseramine
Peak:m/z	Relative Intensity
50.01486	0.6
57.03433	0.7
58.05107	0.7
59.01365	4.4
64.52689	1.0
65.15461	0.6
67.62863	0.6
69.90488	0.7
71.01404	0.9
83.05016	1.2
83.79475	0.8
85.02913	0.8
89.02441	1.0
91.04007	0.9
92.23156	0.8
93.67268	0.7
99.00874	21.3
125.02401	1.8
125.09686	6.8
132.35338	0.8
139.11269	1.3
155.14304	1.0
160.20325	0.7
163.11234	3.0
166.86890	0.8
170.40651	0.7
181.12347	22.5
183.10136	1.2
185.11821	0.8
197.11807	3.6
199.13408	84.7
201.11337	6.7
203.52090	0.7
207.10269	16.7
212.84865	0.9
225.11331	49.7
243.09947	1.5
243.12375	34.3
251.11668	0.8
257.75284	0.9
268.94312	1.2
278.17535	0.8
284.97458	12.9
289.07202	1.4
298.99020	3.8
317.12357	4.2
317.16061	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1606
Annotation	Eseramine
Peak:m/z	Relative Intensity
54.63515	0.8
59.01377	5.0
71.05020	4.0
73.03340	0.9
77.25919	0.8
79.95806	1.0
89.10465	0.8
95.33465	0.9
97.02922	1.8
99.00874	25.1
109.06580	7.1
117.23801	0.9
125.09702	10.1
141.10640	1.0
153.05649	1.5
155.10782	5.3
155.14401	1.1
160.69844	0.9
163.11276	15.4
181.12346	41.4
185.08157	1.5
189.25415	0.9
194.71832	1.1
199.09789	0.9
199.13408	44.0
207.10271	46.5
225.11331	89.3
243.12378	46.0
317.11911	5.1
317.16064	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.161
Annotation	Eseramine
Peak:m/z	Relative Intensity
53.64543	0.3
57.03458	0.6
59.01373	2.8
67.58801	0.3
68.95931	0.3
71.01386	2.0
71.05003	3.4
72.99312	0.5
83.05072	0.7
89.02438	0.6
91.00914	0.3
91.03960	1.0
97.02943	2.1
97.06618	2.1
99.00877	21.3
109.06567	0.8
118.05132	0.5
123.08120	0.3
125.09711	9.4
127.11285	0.5
131.61740	0.3
151.11292	1.2
153.12877	1.4
155.14445	2.1
163.11299	13.7
167.14337	0.4
180.04291	0.3
181.12352	34.9
183.13828	0.5
195.10327	0.6
197.11845	1.8
199.13420	42.8
201.11334	1.6
207.10284	41.6
209.11928	0.7
211.13406	7.4
219.13995	0.3
225.11340	80.9
239.09282	5.6
243.12384	47.2
267.91617	0.4
273.69492	0.4
294.26144	0.4
295.11526	0.4
296.11435	0.3
299.11392	6.5
307.24966	0.4
316.55276	0.4
317.12567	6.7
317.16058	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12843	0.6
57.03452	0.7
68.23843	0.6
70.51566	0.6
83.05037	3.8
97.06592	10.8
107.05024	4.0
111.08151	11.0
147.11771	0.9
163.11308	4.7
165.12842	100.0
167.14409	1.4
175.15558	0.7
209.11865	4.1
227.12914	1.5
255.76260	0.8
273.18655	7.4
317.17609	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	317.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30884	0.8
54.82006	0.8
57.03429	1.4
59.01381	78.7
69.44543	1.0
71.01377	1.1
71.05048	1.3
77.71913	0.9
83.05021	5.7
85.02933	1.9
95.05009	2.3
96.22768	0.9
99.00854	1.9
99.08120	5.5
101.06058	11.4
109.06593	10.5
125.09702	1.2
128.72076	0.9
129.09258	1.2
137.09700	5.0
139.07625	1.2
143.10852	1.1
181.12326	2.4
197.11807	1.8
199.13438	17.4
207.10181	1.8
225.11310	7.7
243.12296	6.3
299.18729	1.5
302.28156	1.2
317.16058	18.3
317.19650	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13086	0.5
56.00148	0.6
68.00138	4.6
69.03822	0.5
82.01723	9.5
87.47761	0.5
95.02509	8.4
123.05643	3.6
137.07188	2.2
139.94502	0.5
151.08745	2.1
165.10356	3.0
179.11900	5.4
195.11324	0.7
205.13463	7.8
219.15034	44.0
233.56612	0.7
247.14488	7.7
248.15302	3.4
306.02414	0.6
317.07745	1.0
317.22385	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	318.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50967	0.5
55.33605	0.6
59.01379	46.7
61.56601	0.6
62.58918	0.6
68.64896	0.6
71.01379	20.2
71.01768	0.7
73.02950	0.9
74.02447	0.9
78.47414	0.7
83.01385	1.2
83.33447	0.8
85.02947	4.3
87.00909	1.0
89.02435	25.1
89.02960	1.5
89.59087	0.7
95.01363	1.4
101.02435	19.6
113.02431	13.3
119.03483	9.4
136.80316	0.8
138.05606	11.9
146.65608	0.7
156.06676	10.8
161.04645	0.7
169.09801	0.8
200.13956	1.1
244.13118	1.5
314.25330	0.8
318.11966	100.0
318.16165	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	319.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.1
56.06656	0.4
59.01378	0.8
68.73878	0.5
71.01379	0.8
72.46646	0.4
74.34492	0.4
75.00872	3.3
89.02462	0.8
101.02440	1.2
106.12683	0.5
109.06587	2.8
120.52060	0.4
127.07648	100.0
129.01955	2.3
147.02962	3.8
156.94374	0.5
165.04037	13.7
171.06630	27.4
319.10376	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	319.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97767	2.0
54.37491	1.9
54.69730	1.8
59.01377	47.4
59.18343	1.9
66.89052	2.0
71.01379	21.4
73.08598	2.4
85.02933	3.2
89.02448	34.6
92.54882	2.2
95.08644	2.6
101.02430	11.1
112.04036	11.1
113.02450	10.6
119.03483	13.7
120.04522	4.0
122.06110	11.1
123.03171	4.8
124.04017	17.3
136.07690	77.2
137.06091	4.7
138.05609	100.0
139.07680	26.3
140.07207	3.3
140.08345	2.7
179.05519	3.8
182.04587	5.5
183.05412	3.4
184.06137	21.6
218.92815	2.6
257.12817	16.8
319.13046	19.6
319.17456	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	319.1398
Annotation	Octanoylglucuronide
Peak:m/z	Relative Intensity
51.57793	1.4
59.01382	100.0
71.01379	46.7
78.53114	1.3
83.01381	1.9
85.02948	9.8
87.00844	2.8
89.02435	71.6
95.01389	2.2
95.08642	6.4
101.02448	29.3
104.16733	1.4
106.04221	1.3
108.63941	1.4
109.01628	1.6
113.02433	21.9
119.03497	22.9
121.12151	1.6
122.99094	1.5
131.03667	2.8
136.07715	11.6
138.05603	10.7
139.07652	40.8
142.36290	1.9
142.43533	1.8
143.03484	6.7
161.04568	2.4
179.05611	12.9
185.69067	1.6
203.08266	7.2
275.10410	2.6
283.07297	3.6
319.13925	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	319.14
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.1
57.03433	4.5
59.01382	45.8
69.03437	1.2
71.01009	2.2
71.01376	37.9
71.01734	2.2
72.99310	2.5
73.02947	11.4
75.11102	1.0
83.01405	9.0
85.02946	31.6
86.34448	1.0
89.02445	23.1
90.14418	1.0
95.01387	5.1
99.00883	2.6
99.04559	1.2
101.02435	31.4
107.22000	1.2
111.00870	7.4
113.02440	17.8
116.60512	1.1
119.03490	9.1
119.04241	1.1
129.01930	4.9
139.07651	4.5
141.06670	1.5
143.03452	1.5
145.37163	1.0
157.08699	6.0
161.04562	4.8
179.05673	1.5
189.06866	2.4
205.03540	5.5
207.08273	1.1
223.04680	8.5
264.81088	1.2
275.15070	7.7
319.14001	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	319.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54310	0.8
58.02972	4.1
58.78807	0.8
59.01370	1.0
69.48819	0.9
70.92229	1.0
72.00877	0.9
82.06617	1.7
82.93642	0.9
91.05515	11.6
109.78646	1.3
118.06623	1.2
119.19222	0.9
121.20078	1.0
129.10339	61.5
147.04523	18.5
153.10368	4.0
154.08737	9.5
164.07167	46.6
171.11409	35.0
184.83061	1.0
212.70529	1.0
233.16595	40.3
275.17651	1.7
319.16666	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09969	0.6
55.10620	0.6
57.03446	1.6
59.01380	100.0
62.69981	0.7
71.01373	6.9
73.02943	3.7
83.01363	2.7
85.02934	3.8
90.65185	0.6
97.06554	0.8
101.02441	8.6
113.02428	3.3
132.85600	0.7
135.04535	1.2
139.11230	0.8
213.16519	1.2
231.17468	3.5
257.15472	0.9
275.16592	12.2
277.16489	11.0
319.11975	3.8
319.15439	25.9
330.60864	0.8
334.49011	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34884	0.3
57.12022	0.3
60.31494	0.3
62.89209	0.3
68.00152	0.6
82.01715	2.9
95.02505	1.9
102.75159	0.3
123.05650	1.4
137.07220	0.7
146.87413	0.4
151.08778	0.4
190.66164	0.3
195.09692	0.7
195.11397	13.1
248.71552	0.4
301.22821	0.8
319.23938	100.0
342.86530	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
75.16975	0.9
89.72251	0.8
99.00697	0.8
162.52791	1.2
205.91423	1.0
220.07719	1.1
237.22218	0.8
248.07190	10.9
249.07961	4.2
260.07260	1.9
262.05151	7.3
262.08258	1.0
264.06589	1.2
275.05908	15.9
276.06653	39.0
277.04544	1.8
277.07468	47.6
290.04984	1.9
290.08252	38.7
291.08990	1.8
292.09842	1.5
303.05405	8.6
304.06171	25.6
304.09421	1.4
305.06970	36.4
318.07751	20.0
319.08426	7.2
320.09308	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20194	0.5
51.95468	0.4
53.07257	0.5
59.01374	1.1
60.70539	0.5
61.25969	0.6
66.47179	0.5
68.17667	0.5
71.01378	0.6
94.04100	0.9
96.05652	0.7
96.19562	0.6
97.56035	0.5
110.03590	15.2
112.05165	7.5
115.59119	0.6
122.03551	0.6
124.05151	100.0
128.03548	0.8
139.39325	0.6
140.07173	88.4
145.07722	2.6
153.04288	6.8
154.08727	4.9
157.06090	0.7
167.06053	0.9
172.07285	10.2
182.08214	48.5
200.09290	7.0
216.11453	1.0
222.41278	0.6
224.60678	0.6
231.43500	0.6
302.12457	11.5
320.08838	1.0
320.12595	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	320.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.9
67.03036	0.5
68.31525	0.5
71.01391	0.7
82.04128	0.5
94.04093	1.1
96.05672	0.9
101.74176	0.4
108.94596	0.4
110.03597	19.5
112.03953	0.5
112.05160	7.8
124.05154	100.0
128.03513	0.6
140.07175	89.0
145.07695	2.9
153.04312	6.5
154.08731	5.4
156.10362	0.7
164.07193	0.8
167.05847	0.8
172.07283	11.6
182.08212	45.5
200.09286	8.0
216.11359	0.8
240.09131	0.6
279.19867	0.6
302.12524	10.9
320.12585	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	321.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29500	1.8
53.83854	1.3
57.84399	1.3
58.02977	15.1
59.01375	13.8
61.43439	1.2
65.98112	1.2
71.01371	17.3
72.25447	1.5
76.83419	1.5
83.32589	1.5
88.04033	93.3
96.99323	3.2
112.04036	6.0
114.01952	20.2
115.00352	34.7
117.08053	2.0
118.02997	1.9
130.05086	18.7
132.03023	46.9
137.37631	1.5
144.04550	27.5
146.02467	20.1
146.06107	3.1
156.03062	1.8
160.03928	1.6
174.04070	34.8
181.21974	1.7
187.05118	33.5
215.08296	2.4
229.96854	1.5
241.06184	6.0
259.07333	15.8
303.06302	13.0
321.07324	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16858	1.3
58.02979	11.4
59.01383	12.7
61.58945	1.2
62.21907	1.4
71.01380	18.6
73.02922	6.3
73.36322	1.5
76.68700	1.7
85.02944	11.0
87.00871	26.1
88.04035	64.5
97.02939	7.5
112.04047	2.9
114.01949	12.7
114.99597	2.8
115.00356	45.5
115.03992	2.4
123.40598	1.6
130.05104	15.6
132.03021	39.7
144.04538	46.7
144.05664	1.5
146.02451	16.0
146.06114	2.8
151.21515	2.1
156.03059	2.4
157.01395	2.3
160.04024	1.9
162.05579	3.3
164.89514	3.2
174.04074	29.0
175.02449	12.7
177.44173	1.5
187.05115	41.8
197.07196	2.8
201.00523	1.7
205.06219	2.0
206.04649	3.3
215.08299	3.6
217.03566	2.4
241.06293	2.7
259.07190	16.4
303.06186	13.9
321.07309	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74526	0.3
55.01880	2.7
57.03455	1.2
59.01382	29.3
59.35538	0.3
65.91521	0.3
71.01374	5.0
73.02938	1.6
75.00871	1.6
79.93546	0.3
83.01396	0.8
83.05024	2.8
83.44684	0.3
85.02943	4.5
89.02438	1.5
91.69381	0.3
99.00894	2.5
101.02435	7.6
111.08148	67.5
113.02446	3.9
117.01961	0.4
119.03526	0.4
129.01944	1.5
129.09248	3.5
131.03741	0.5
147.02992	3.3
160.53049	0.3
161.04536	1.8
163.28227	0.3
173.08188	100.0
235.11891	10.3
277.12958	0.6
278.66855	0.4
321.11926	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	321.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06331	1.0
52.83179	0.8
55.01873	1.7
57.03449	23.3
59.01380	23.3
62.80532	0.9
67.17426	0.9
71.01383	8.2
73.02950	2.0
83.01385	8.6
84.02145	1.6
85.02945	100.0
89.02435	1.6
95.74891	1.2
101.02428	6.0
101.86092	1.3
105.01718	1.1
111.00874	31.7
114.87414	1.1
115.07635	15.8
126.87031	1.0
129.01932	38.5
153.38719	1.1
161.04498	4.6
187.02470	2.0
205.03537	31.4
223.04590	4.3
321.11829	11.6
321.15558	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	321.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82664	0.5
55.01880	4.9
59.01368	2.8
61.69732	0.5
65.57857	0.5
65.68362	0.6
71.01378	1.0
75.00859	1.5
75.35103	0.6
83.05013	1.0
85.02954	2.5
89.02439	1.4
92.22884	1.2
101.02435	2.4
111.08147	74.6
129.01950	5.1
129.09186	3.8
147.02989	5.6
151.66438	0.7
160.96333	0.6
165.04062	0.9
167.29921	0.6
173.08186	100.0
256.21191	0.7
321.11935	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92996	0.8
55.01860	1.1
56.62569	0.8
57.03452	18.9
59.01378	7.9
62.70214	0.8
71.01379	7.9
72.99261	1.0
73.02922	1.6
81.84095	0.9
83.01397	8.5
84.02155	1.3
85.02945	100.0
89.02444	2.2
96.84760	0.8
101.02433	6.7
111.00872	32.6
113.02456	1.3
115.07633	17.1
129.01939	39.1
133.86218	0.9
136.38559	0.9
139.52904	0.9
156.20465	1.0
161.04608	1.5
166.55980	1.2
177.04054	0.9
187.02434	1.3
205.03522	30.5
223.04565	3.7
321.11896	15.0
321.15604	4.4
335.61392	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
62.06164	0.4
62.23570	0.4
67.93917	0.4
70.51262	0.4
71.01376	5.8
85.02950	3.1
89.02428	5.4
95.01383	0.6
101.02449	4.8
113.02450	2.7
119.03485	3.6
127.58064	0.5
129.01974	0.7
144.27205	0.4
151.53911	0.4
161.04565	0.8
205.03447	0.6
261.13391	4.3
276.07990	0.5
298.10983	0.5
321.15567	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	321.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.15193	0.7
68.68282	0.7
70.71641	0.8
71.01380	20.0
85.02939	4.6
86.28019	0.8
87.82492	0.8
89.02434	23.4
101.02443	14.9
113.02441	9.9
119.03493	8.0
141.09253	9.1
159.10295	4.1
160.46429	0.8
189.03032	0.8
210.42595	0.8
216.89386	1.0
221.44997	0.8
261.13608	1.4
276.88623	0.9
321.15576	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	321.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51819	0.8
56.22855	0.8
56.69726	0.8
57.03449	1.0
58.00590	1.0
59.01383	100.0
61.75618	0.8
66.46364	0.9
71.01377	50.3
72.99297	1.3
73.02904	1.1
77.37328	0.9
83.01431	1.0
85.02927	10.9
87.00840	1.5
89.02440	83.5
95.01373	4.4
101.02429	28.1
113.02440	26.0
119.03484	33.2
122.09187	0.9
131.03479	2.0
141.09222	52.4
143.03496	5.1
149.04536	4.2
161.04539	2.5
179.05634	22.0
231.67583	1.3
321.15649	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	321.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98999	0.4
57.03442	1.8
59.01381	100.0
62.04486	0.3
65.77283	0.3
71.01387	3.9
79.62205	0.3
80.52242	0.3
83.01378	0.7
85.02942	9.3
89.02434	5.3
93.20393	0.3
95.19592	0.4
101.02419	2.5
106.02345	0.4
109.11861	0.3
111.00876	3.8
113.02467	2.1
114.98890	0.3
115.07644	1.7
119.03503	1.6
119.39557	0.3
129.01933	4.1
129.60588	0.3
136.07721	1.5
159.10257	3.6
161.04590	0.6
179.05615	1.5
205.03581	3.4
321.11902	1.8
321.15668	7.3
321.19067	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2106
Annotation	(plusmn)8-GINGEROL
Peak:m/z	Relative Intensity
59.28185	0.4
66.77658	0.5
73.39259	0.5
75.78289	0.4
78.95889	1.2
84.60674	0.5
85.97609	0.4
85.98753	0.5
89.30200	0.5
96.96001	64.3
103.32694	0.5
127.94701	0.5
130.56534	0.4
166.52530	0.6
171.67831	0.7
183.42717	0.6
211.39018	0.6
216.85431	0.5
255.78050	0.5
321.21072	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2106
Annotation	(plusmn)8-GINGEROL
Peak:m/z	Relative Intensity
59.01363	0.4
65.24342	0.3
74.35641	0.3
74.74754	0.3
76.54326	0.3
79.95704	0.4
80.24831	0.3
96.96001	68.1
191.40665	0.4
321.21072	100.0
337.57288	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.4
72.28079	0.5
74.18154	0.6
77.99973	0.6
78.95906	0.8
91.31086	0.6
96.96021	0.8
99.81419	0.6
113.09718	12.2
132.16315	0.6
195.13905	3.7
205.15982	2.3
206.33109	0.7
207.13943	2.5
223.17062	7.6
242.19942	0.7
267.74170	0.7
303.23441	0.9
321.24380	100.0
339.09851	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96879	1.2
55.46826	1.2
57.06340	1.1
59.01382	100.0
62.12402	1.3
62.20376	1.3
71.01377	47.2
75.08094	1.5
85.02952	7.5
85.68666	1.5
89.02435	72.1
95.01360	2.5
100.84850	1.3
101.02433	36.5
102.63289	1.8
113.02440	21.5
119.03485	34.5
119.04263	2.2
142.06583	3.3
160.07605	6.9
161.04518	2.3
179.05600	5.8
192.12515	1.7
244.08626	1.5
322.12988	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	322.2025
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
58.02984	1.9
76.57664	0.4
79.41228	0.4
81.03452	0.3
85.30708	0.3
92.23079	0.8
95.05037	0.5
102.33170	0.3
128.10802	8.7
130.08728	100.0
165.12805	0.7
226.45148	0.4
322.20255	49.9
339.50531	0.4
341.75974	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11245	2.3
56.66267	2.8
72.04548	3.1
72.30602	2.8
80.63017	2.9
84.49830	2.8
85.71184	2.8
85.81979	2.8
86.02497	11.1
94.55402	2.6
100.04037	3.2
147.61734	3.1
171.59676	2.9
185.19469	3.0
215.83803	3.1
294.65881	3.4
320.25906	21.1
322.27585	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	323.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45700	1.4
54.50715	1.5
56.34070	1.5
57.03452	33.9
59.01382	100.0
67.55479	1.6
71.01372	32.8
72.64221	1.7
73.02929	15.4
78.95907	31.1
83.01376	1.9
85.02943	9.2
86.40691	1.7
87.00887	2.2
89.02437	58.4
95.01390	4.3
96.96955	3.7
99.04514	33.6
101.02433	42.1
111.01991	21.9
111.78130	1.7
113.02440	37.8
119.03501	18.8
123.04481	7.9
125.02420	11.6
131.03479	2.8
139.02852	2.1
143.03462	4.4
149.04558	3.3
153.41068	1.5
161.04552	50.8
179.05600	30.0
185.25536	2.1
211.00142	89.2
221.06705	2.9
223.94872	1.8
233.06616	2.5
236.22527	1.8
263.07742	7.7
263.11325	8.3
301.57855	1.9
323.02826	9.7
323.09802	34.7
323.13550	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	323.135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41725	0.7
57.03439	1.4
59.01382	100.0
62.57527	0.9
71.01378	14.8
73.02943	1.6
85.02940	3.2
88.22089	0.9
89.02441	24.7
98.68256	0.8
101.02443	13.8
113.02449	9.7
117.13486	0.8
119.03481	10.0
139.49594	0.8
143.07127	7.7
153.47162	0.8
161.04599	2.1
166.61511	0.8
179.05586	1.9
206.48491	0.8
255.06427	0.8
263.11362	7.0
277.35080	1.0
281.12180	1.0
323.13507	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	323.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41407	0.6
59.01383	100.0
59.98397	0.6
60.57599	0.6
62.94484	0.8
71.01379	13.7
71.71953	0.8
73.02933	5.8
75.73026	0.8
78.95926	0.9
79.39941	0.7
83.01389	3.3
85.02941	7.2
88.20316	0.7
89.02442	8.2
93.52225	0.7
97.02936	0.8
99.00875	1.6
101.02445	18.6
101.06089	3.6
113.02431	9.7
119.03454	4.2
159.03088	0.8
161.04517	10.4
239.59587	1.0
263.11386	49.6
317.50314	0.9
323.13580	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	323.135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00160	0.6
57.82759	0.7
59.01382	62.1
63.46312	0.6
65.15314	0.6
71.01377	27.4
77.94189	0.8
85.02954	4.2
89.02437	42.1
95.01347	1.7
101.02440	20.5
111.44569	0.7
113.02447	15.7
114.83128	0.8
119.03493	13.3
130.82031	0.7
134.68063	0.7
157.56885	0.8
196.43111	0.8
263.11310	1.1
323.13510	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30227	0.5
59.01382	100.0
71.01374	5.9
73.02962	1.1
83.01408	0.7
85.02964	2.5
89.02435	2.4
99.00829	0.6
101.02456	5.7
113.02444	3.0
115.79956	0.5
161.04614	3.0
166.56863	0.5
185.14546	0.5
263.11459	10.8
263.15057	4.7
263.17566	0.5
267.71985	0.5
308.79736	0.6
312.92719	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
58.46426	0.4
59.01383	100.0
62.43027	0.4
64.84456	0.5
69.67713	0.5
71.01363	3.9
73.02944	1.1
76.56110	0.5
83.01398	0.8
85.02953	2.5
87.96548	0.5
89.02457	1.0
89.50266	0.5
101.02442	4.4
102.43472	0.5
113.02460	2.6
161.04597	2.9
171.10333	0.6
174.27504	0.5
263.11465	10.3
263.14987	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	323.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07319	0.3
59.01382	100.0
64.60057	0.3
71.01382	2.3
73.02946	1.2
80.02177	0.3
83.01408	0.5
84.66302	0.3
85.02953	1.8
91.02216	1.3
93.00124	0.4
93.73570	0.4
99.00886	0.5
101.02434	2.7
113.02459	1.2
125.02425	0.4
149.01003	1.4
161.04587	0.7
182.00394	0.7
183.01221	0.6
206.71849	0.3
263.11499	1.8
263.15082	7.6
291.03677	1.2
305.00354	0.3
307.06766	4.9
323.09879	0.5
323.17267	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1866
Annotation	Dinor-PGE2
Peak:m/z	Relative Intensity
51.06060	4.1
53.32022	4.4
57.03452	10.6
57.71508	4.2
59.01376	25.7
64.01045	4.6
71.01393	4.1
71.05019	42.2
75.96990	4.6
81.03461	9.6
83.01388	9.5
83.05025	38.4
84.02162	20.5
95.05025	89.3
97.06644	13.7
109.06573	17.5
110.03715	6.4
111.04523	8.8
113.06093	94.2
113.47021	4.4
119.50932	4.6
123.08120	7.5
125.09692	5.8
135.08141	24.4
141.84526	4.9
151.07689	6.1
163.11313	10.5
167.10626	5.4
171.10257	33.1
174.63739	4.8
202.03645	4.7
209.11861	69.8
231.13870	8.3
237.15013	63.6
247.13480	5.2
255.09915	4.5
287.16620	35.7
297.37454	4.9
305.17609	69.0
323.18646	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.223
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
52.11023	0.6
54.22289	0.6
59.01384	28.8
59.01678	1.0
61.60011	0.6
68.16015	0.6
71.01378	4.9
73.02948	1.4
85.02957	1.6
87.60163	0.8
89.02448	1.0
91.02862	0.6
91.71026	0.7
94.89314	0.6
96.96014	1.5
98.89524	0.8
101.02424	5.8
113.02454	1.6
161.04497	2.4
162.10416	0.7
165.12828	1.4
171.10193	0.9
203.18207	0.8
209.11797	3.4
261.22330	6.6
263.11331	12.6
279.23480	0.8
305.17926	4.1
305.21237	100.0
319.68604	0.8
323.18747	3.4
323.22284	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	323.2231
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
59.01381	8.9
66.37322	0.4
71.01410	0.7
85.21236	0.4
94.39622	0.4
130.29312	0.5
137.06082	0.5
137.27130	0.5
161.04619	0.8
165.09254	0.8
165.12904	2.3
191.14383	0.7
206.29431	0.5
217.15939	1.0
217.99377	0.5
251.16418	0.9
261.22232	5.9
263.11349	4.0
279.23209	0.6
287.20151	0.6
305.21252	100.0
321.56107	0.6
323.22308	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	323.2591
Annotation	14,15-EE-5(Z)-E
Peak:m/z	Relative Intensity
52.88237	0.3
57.03445	0.4
58.68952	0.3
59.01373	8.1
71.01369	0.8
89.37095	0.4
90.29181	0.4
90.32374	0.4
97.58295	0.4
101.02405	0.7
101.25549	0.4
105.69450	0.4
111.08171	0.4
113.02449	0.4
139.11383	0.4
155.14407	2.4
161.04546	0.5
165.12859	2.9
186.61035	0.5
242.21333	0.4
261.21964	0.4
263.11340	3.4
279.26987	2.4
323.25919	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36590	0.5
59.01377	3.1
71.01350	0.5
89.02405	1.2
101.02411	0.5
101.19215	0.5
101.59572	0.5
130.08731	100.0
207.95522	0.6
248.77440	0.7
272.62225	0.6
324.13724	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	325.093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.4
62.54267	0.3
64.21912	0.2
68.48670	0.2
71.01381	2.1
72.17319	0.2
81.14684	0.3
85.02949	0.4
89.02435	2.5
97.88340	0.3
101.02434	1.5
105.22059	0.3
113.02451	1.4
117.03454	7.0
119.03513	0.5
119.05021	7.2
121.19476	0.3
133.06596	0.3
145.02951	100.0
159.04367	0.3
161.06070	1.5
163.04007	10.3
187.03999	2.9
205.05052	1.1
265.07205	1.7
325.05457	0.5
325.09320	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	325.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42728	0.4
59.01374	5.7
70.25334	0.4
71.01375	0.9
71.05045	0.6
73.02931	2.5
75.00864	22.6
81.03460	2.0
87.00852	3.9
89.02466	0.9
92.91876	0.5
99.00861	0.9
99.04491	2.0
101.02444	0.8
117.03491	1.8
119.05013	27.8
122.53022	0.6
124.02251	5.5
125.02428	0.9
134.03751	2.5
141.99446	0.5
143.03441	4.5
145.02950	28.0
152.01753	10.9
156.49617	0.6
161.04541	9.4
163.04007	34.9
179.05614	100.0
179.97946	0.6
187.03894	0.9
193.05019	2.5
204.07916	0.7
265.07333	0.6
300.08813	0.5
325.09280	9.0
325.12656	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1143
Annotation	Scillabiose
Peak:m/z	Relative Intensity
55.01876	2.1
57.03442	7.6
59.01380	49.7
69.80408	1.7
71.01381	26.8
71.78300	1.5
73.02940	14.5
83.01384	3.2
85.02925	12.9
89.02419	20.2
99.04512	12.0
100.85576	1.5
101.02438	50.0
113.02468	16.2
130.08731	9.6
131.03526	14.2
131.04440	1.9
131.09071	4.1
143.03506	2.2
145.06186	3.5
147.25912	1.6
149.04536	3.1
161.04530	11.3
163.06107	9.7
181.07166	34.0
193.07184	57.4
204.95685	1.8
325.07639	3.9
325.11404	100.0
325.15225	3.7
347.65317	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	325.1142
Annotation	Scillabiose
Peak:m/z	Relative Intensity
55.01886	1.6
57.03453	10.7
59.01381	48.4
66.77288	1.2
69.48002	1.2
71.01009	1.9
71.01379	36.9
73.02937	14.6
80.91650	1.3
83.01385	6.6
85.02950	20.8
87.00866	2.4
89.02429	19.7
95.00391	1.3
97.02928	1.4
99.00900	6.0
99.04537	9.8
101.02443	52.1
113.02448	19.4
119.04991	1.6
125.02415	2.2
130.08755	6.3
131.03481	8.8
131.09099	6.1
143.03491	1.6
145.04066	5.2
159.03047	1.7
161.04549	16.8
162.49463	1.5
163.04012	1.9
163.06160	14.0
181.07188	24.7
193.07187	37.2
196.39572	1.3
223.08215	5.7
229.31865	1.2
237.34145	1.3
242.64751	1.4
271.13147	1.5
274.75998	1.4
325.11411	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	11.2
71.01382	3.1
79.77976	2.2
113.09699	11.8
115.07576	2.9
116.16830	2.5
125.09684	14.6
129.09163	18.4
137.09743	3.7
139.11243	2.6
140.61662	2.5
151.11263	3.1
152.99644	3.0
155.10760	10.4
167.10782	3.4
169.12270	4.1
171.10255	10.4
185.11830	3.1
192.97481	2.4
193.15828	2.7
209.11734	5.1
249.18608	17.5
275.16507	12.6
293.17606	25.2
293.21234	26.0
307.19122	11.2
307.22552	3.3
325.20212	74.3
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	325.2022
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
51.62906	3.2
52.79354	3.1
59.01372	6.0
65.12255	3.2
68.43842	3.2
71.05016	3.9
74.51947	3.6
75.89695	3.6
82.91373	4.1
94.45483	3.7
97.06572	6.2
122.03732	6.6
125.09692	16.6
126.03184	4.7
136.94414	3.5
137.09637	5.5
156.43970	4.2
163.03990	5.1
165.12808	6.3
167.14401	80.1
171.10321	4.3
193.15967	51.3
197.02766	7.1
204.74854	4.3
207.17599	52.4
209.11792	5.7
249.18619	95.4
275.16479	27.4
281.21280	53.6
293.17639	24.3
307.19235	75.2
321.95703	4.7
325.20084	100.0
325.24136	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	325.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93813	3.1
58.60382	2.9
63.83199	2.8
68.77841	3.0
97.06569	4.8
109.06584	15.0
123.08165	26.6
135.08173	25.8
140.23903	3.9
149.09685	6.0
153.09174	4.0
171.10289	18.5
185.11810	18.2
197.11900	37.9
209.11800	5.4
211.13376	3.6
220.13376	5.0
221.13730	14.7
237.15132	3.9
245.19220	6.1
279.69656	3.7
289.18161	100.0
296.06876	4.6
307.19177	45.1
325.07022	5.1
325.20432	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	325.2025
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
54.16062	1.0
54.50897	0.8
55.39865	1.0
71.01386	1.9
75.97395	1.0
80.59766	1.0
83.05025	8.1
84.02129	1.2
92.23076	2.1
98.03782	1.0
99.08144	2.3
100.35725	1.0
109.06604	1.6
127.07657	11.0
139.07668	1.8
139.29257	1.5
149.97166	1.1
155.10785	2.4
163.11282	6.3
165.12822	2.5
181.12267	1.4
185.11819	11.0
191.10753	1.7
197.11853	17.2
197.48822	1.0
198.93050	1.1
207.10143	1.2
209.11841	100.0
213.03760	1.0
227.12874	6.9
238.12206	1.5
249.17010	1.1
289.18219	1.9
307.19180	55.8
325.20239	51.0
327.58557	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2022
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
50.82196	2.1
58.00574	2.6
59.01377	5.7
60.76332	2.1
64.76626	2.1
69.05689	2.1
71.01361	2.9
113.06008	2.8
115.07649	2.8
127.07620	5.3
144.95842	2.3
151.11263	12.5
153.12839	14.3
155.14389	3.4
163.03999	2.3
169.12227	3.0
171.13925	2.4
178.71254	2.5
181.12355	3.0
190.22299	2.2
197.11867	18.2
199.13417	55.7
209.11838	9.9
215.12923	17.3
227.12894	100.0
229.14415	38.0
289.17969	2.9
307.19110	33.8
325.20074	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	325.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62477	0.6
56.79550	0.7
59.01368	0.8
92.76036	0.8
141.35152	0.8
146.08003	0.7
149.09717	75.1
163.11288	85.4
177.25114	0.8
325.18604	5.0
325.21759	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	325.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48204	0.6
52.48752	0.6
55.85493	0.6
59.01384	0.8
67.16631	0.6
95.77577	0.7
120.95474	0.8
141.12820	1.1
155.09525	1.1
155.10771	20.1
169.16057	0.8
233.12683	0.8
279.23291	38.8
295.22711	0.8
297.24356	100.0
307.26401	4.4
325.18454	1.0
325.23752	4.5
325.27353	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	325.275
Annotation	8,9-EE-14(Z)-E
Peak:m/z	Relative Intensity
57.70224	0.5
63.76942	0.5
68.20663	0.6
91.32011	0.5
127.67446	0.6
155.14435	1.0
183.13951	2.2
199.13382	10.0
199.45021	0.6
234.67554	0.6
251.74480	0.6
307.26480	13.8
323.25943	1.3
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	Unknow
Peak:m/z	Relative Intensity
59.01364	1.1
71.95441	0.4
78.07968	0.5
120.56190	0.4
138.68645	0.4
185.11812	7.1
194.23125	0.4
201.45177	0.6
203.85741	0.5
225.18555	0.9
227.16576	1.0
289.25275	1.0
290.36618	0.6
307.26453	16.0
323.25949	0.8
325.18817	2.6
325.27505	100.0
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
60.00692	0.4
62.38732	0.4
75.55464	0.5
77.53691	0.4
91.90229	0.4
92.01550	0.5
94.13833	0.5
127.11318	0.5
197.15501	7.8
249.22144	0.6
251.16519	0.5
289.25500	0.8
307.26456	25.0
323.25931	2.4
325.19086	4.1
325.27509	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11271	1.0
75.71227	1.1
86.65435	1.3
89.55244	1.1
106.48009	1.4
109.21109	1.3
110.62143	1.1
112.44427	1.1
117.91423	1.1
154.43950	1.2
166.82318	1.4
325.18643	4.5
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	326.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71262	0.3
59.01387	2.2
63.51560	0.3
71.01385	0.8
71.76614	0.3
72.00905	4.0
73.02952	1.8
84.12273	0.3
85.78872	0.4
89.02489	0.4
91.20100	0.3
101.02441	12.1
112.04070	0.6
115.00384	0.4
144.08191	2.9
147.04524	22.1
149.06058	1.8
164.07176	100.0
174.15887	0.4
206.08266	2.5
236.09285	11.1
248.09297	0.8
326.12900	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20399	0.6
59.01383	100.0
60.01709	1.1
61.98838	0.8
65.10316	0.6
67.54050	0.7
68.17662	0.6
70.31338	0.8
71.01382	30.1
72.99286	1.0
83.01370	0.8
85.02941	6.5
87.00859	0.9
87.38625	0.8
89.02441	52.7
95.01363	3.4
96.95998	0.9
101.02435	23.2
113.02441	18.4
113.03533	2.8
117.01855	1.0
119.03489	15.8
119.56747	0.8
120.05380	0.9
143.03487	1.7
161.04532	4.0
164.04318	1.5
164.07193	29.0
179.05649	8.1
239.61096	0.8
248.10388	3.4
266.13284	4.2
276.93063	0.8
326.08658	1.9
326.12408	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	326.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37189	0.4
57.03435	0.6
92.23121	1.7
111.08176	0.5
114.46310	0.5
116.07166	100.0
165.12865	6.3
168.82324	0.5
182.64537	0.5
200.17819	0.5
209.11847	1.2
209.73065	0.6
229.82263	0.6
314.12402	0.6
326.19781	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	327.0724
Annotation	2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate
Peak:m/z	Relative Intensity
55.01861	1.7
57.03454	20.0
57.81766	1.4
65.74752	1.2
69.53313	1.1
71.01374	2.3
72.99276	2.1
73.02946	1.6
74.97999	1.3
78.95920	2.3
83.01385	7.8
85.02948	100.0
94.33817	1.2
97.25822	1.2
99.00833	1.8
101.02406	5.8
102.98282	1.1
110.06090	1.5
111.00867	26.8
118.05106	2.0
121.02955	25.5
123.09270	1.9
126.05686	1.3
129.01930	42.0
152.99577	5.5
154.05116	1.8
161.04535	2.5
177.04051	1.4
179.88922	1.2
180.07535	1.3
187.02438	1.7
205.03540	18.8
221.84108	1.3
226.11967	14.1
327.07248	11.4
327.16742	5.9
327.21896	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	327.0725
Annotation	2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate
Peak:m/z	Relative Intensity
55.01871	1.4
57.03453	20.1
59.01384	97.9
67.37238	1.0
68.99829	2.1
70.55624	1.3
71.01385	2.4
73.02953	4.6
81.60159	1.3
83.01379	9.0
85.02948	100.0
101.02434	4.4
110.02456	2.2
111.00880	17.0
111.02033	2.1
116.07140	1.3
118.05106	1.8
121.02950	23.1
124.04028	1.9
127.41998	1.4
128.01035	1.6
129.01950	36.7
132.19150	1.4
136.04115	1.2
159.10258	22.0
161.04536	1.5
196.25261	1.4
198.54218	1.4
205.03543	21.6
249.63316	1.6
284.07727	6.5
327.07315	12.5
327.12183	2.6
327.17599	2.0
327.21323	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	327.1086
Annotation	Paeonoside
Peak:m/z	Relative Intensity
53.00426	1.1
58.38632	0.8
59.01064	1.2
59.01377	36.6
63.02872	0.8
69.17178	0.9
71.01377	13.3
72.99295	2.2
79.59492	1.0
85.02933	2.1
89.02423	20.2
95.01353	1.0
96.69813	1.2
97.11218	0.9
101.02441	10.3
102.76499	1.0
113.02464	7.2
119.03480	5.9
119.05046	1.7
147.04515	95.9
151.47246	1.0
165.05577	14.9
191.28247	1.2
327.10895	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30599	0.5
57.03442	3.1
59.01381	0.9
60.75519	0.6
64.51830	0.6
71.01404	0.5
74.02444	0.6
78.95900	5.5
83.01387	0.7
85.02939	14.1
93.03455	0.7
106.32970	0.6
108.28798	0.7
110.98540	7.3
111.00840	1.3
113.09695	4.3
115.82630	0.6
121.02926	3.0
129.01900	7.0
135.72336	0.6
141.09181	0.8
157.80185	0.6
159.10258	100.0
167.01089	7.2
205.03445	2.7
207.08591	0.7
273.49854	0.7
327.08286	2.1
327.12137	33.7
327.21527	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85497	0.2
54.77337	0.3
57.03480	0.3
61.90762	0.3
63.80967	0.2
67.24531	0.2
71.02545	1.5
73.04095	0.6
78.67972	0.2
78.95921	1.4
80.80661	0.2
85.02933	2.3
91.05552	0.5
96.00907	0.2
107.05039	2.6
110.98519	0.7
111.00933	0.4
113.09708	4.7
118.05177	0.3
121.02930	0.4
128.01035	0.5
129.01935	0.7
141.09279	0.7
147.04506	1.7
157.08746	0.4
159.10262	100.0
162.05606	1.3
164.07173	1.8
167.01155	0.5
175.08818	1.3
179.08334	0.5
185.02188	2.2
226.11911	1.6
283.17343	0.3
297.68033	0.3
327.12265	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	327.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45367	0.9
57.45042	0.9
59.01343	1.0
102.78506	1.0
107.61370	1.4
119.04998	1.0
121.02924	15.2
135.04433	1.3
136.01700	4.1
147.04474	1.3
150.33873	1.1
151.04012	5.6
175.03963	14.4
190.06358	6.3
222.05315	5.3
249.05563	1.2
251.07265	2.2
261.05606	2.5
267.06735	8.0
268.07578	1.4
269.08145	19.3
279.06650	17.2
282.09021	1.5
283.09689	4.4
294.08997	5.5
297.07712	96.7
309.11374	13.2
311.09341	4.0
312.10056	26.9
327.12427	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	327.124
Annotation	Decursin
Peak:m/z	Relative Intensity
68.22476	0.8
79.51151	0.6
80.56126	0.7
81.58585	0.7
121.02976	7.0
163.04042	1.0
171.89525	0.8
175.04002	12.0
181.52650	0.8
190.06384	6.2
205.39928	0.8
222.05330	4.7
223.07542	1.0
223.80989	0.8
239.07103	1.0
249.05650	1.0
251.07155	1.1
257.13031	0.8
261.05521	2.9
264.04416	0.8
267.06714	6.0
268.07541	1.2
269.08188	13.4
279.06680	12.6
282.09106	1.0
283.09705	1.6
294.09058	3.4
297.07715	67.6
297.10968	2.8
309.11295	15.1
311.09308	1.3
312.10068	24.0
327.12381	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06495	1.1
57.03453	10.4
58.87152	1.2
59.01377	1.9
64.89929	1.1
69.29739	1.0
71.02500	7.6
73.02940	1.3
73.04057	2.7
83.01374	3.0
85.02943	45.4
91.05503	2.0
97.06474	1.3
101.02452	1.5
106.04246	3.2
107.05018	17.5
111.00872	12.1
113.09687	2.5
116.07172	2.9
121.02944	11.6
129.01949	20.0
147.04532	10.9
159.10255	100.0
162.05542	5.3
164.07156	13.8
173.74199	1.4
174.05550	1.6
175.08774	5.6
179.08249	6.8
183.11336	1.6
185.02167	2.4
185.11789	1.6
186.23926	1.2
205.03441	9.0
226.11920	10.7
266.11987	1.6
327.07196	3.0
327.13586	70.3
327.17184	3.4
327.21646	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	327.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42741	0.1
59.80461	0.1
77.83086	0.1
89.31960	0.1
109.67775	0.1
109.99122	0.1
112.31775	0.1
151.27971	0.1
165.09206	100.0
239.10847	0.1
283.19043	0.3
327.14508	11.0
327.21722	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	327.2178
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
59.01371	1.3
67.05538	1.5
71.05007	1.5
79.93561	0.6
81.07154	0.7
87.04520	4.4
87.62784	0.5
89.96734	0.6
102.58846	0.6
104.77063	0.6
125.09680	1.5
129.53439	0.6
137.09741	4.7
171.10258	39.8
193.72105	0.7
219.13983	1.0
221.15466	36.4
232.92563	0.8
235.17093	0.7
239.16542	24.9
251.16565	6.7
291.19650	7.5
309.20743	11.5
315.12289	0.6
327.21793	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	327.2178
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
53.96394	0.9
54.45364	0.8
57.03429	1.0
68.14240	1.2
85.02930	5.9
92.26148	1.0
97.06577	7.8
125.09708	1.0
167.14307	1.2
171.10287	10.3
183.13910	6.4
193.12422	2.1
211.13411	40.2
221.11841	4.8
229.14468	18.6
239.12761	1.2
291.19812	1.5
319.41357	1.2
327.21793	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	327.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.2
63.75072	0.8
87.04516	5.7
88.06178	0.8
101.92579	0.9
111.08130	1.7
169.12343	1.8
195.13901	6.0
195.67398	0.9
197.11833	19.4
197.22044	1.1
199.13379	4.3
211.13400	3.4
221.15419	5.4
239.16547	53.0
291.19730	8.2
309.20627	1.2
327.21796	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45827	0.5
55.06187	0.6
57.05313	0.6
59.01371	0.7
61.85530	0.6
80.02667	1.0
83.05014	3.4
84.02203	0.7
86.45868	0.6
92.23049	0.7
92.72706	0.6
97.06588	0.9
111.08128	1.4
127.07669	1.5
129.09209	26.0
141.09201	9.9
141.12917	0.7
163.11313	3.5
165.12804	3.4
171.10275	1.5
181.12411	1.0
183.08342	0.7
185.11830	37.4
191.10907	0.7
197.11855	40.4
199.13426	1.0
209.11853	53.2
211.13420	1.3
227.12917	3.2
247.20819	0.7
291.19705	5.8
309.20828	7.2
327.21786	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	327.2178
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
50.79582	0.8
58.00592	5.4
85.02993	1.4
92.22557	1.6
110.61882	1.2
115.07637	9.6
129.09203	1.7
153.12831	6.8
155.14439	1.4
165.12851	1.9
167.10823	1.0
169.12370	2.3
171.10280	2.2
171.13838	1.6
181.12383	2.1
183.13914	1.9
197.11797	10.8
199.13414	60.8
209.11870	8.0
211.13403	6.1
215.12860	5.4
227.12910	100.0
229.14449	9.7
247.20764	1.5
291.19797	7.3
309.20700	21.9
314.96442	1.1
327.16129	1.5
327.21826	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	327.2178
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
51.93277	1.4
53.74885	1.4
57.03444	1.3
59.01377	1.7
63.51447	1.4
65.20383	1.5
65.78790	1.4
65.89481	1.4
66.15287	1.3
68.65426	1.4
70.86726	1.5
71.51997	1.6
71.62813	1.5
73.02059	1.5
74.66715	1.9
115.07625	24.2
125.09679	3.8
129.09256	2.7
137.09802	2.8
139.11314	2.5
151.11311	2.0
153.12839	10.3
155.10745	1.6
171.10275	15.6
171.13725	1.8
180.32095	1.9
183.05574	1.7
197.11853	23.7
199.13409	31.8
201.11322	7.9
207.31714	1.7
209.11755	6.8
211.13400	13.9
213.04654	1.6
215.12865	10.1
227.12889	53.0
229.14410	19.1
265.21829	1.9
291.19662	3.8
309.20810	16.7
327.21777	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	327.2179
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
50.09293	1.0
103.31000	1.3
121.91315	1.4
125.09730	2.0
127.07662	1.6
127.11253	1.9
129.09236	20.4
137.09732	2.4
141.09183	5.3
141.12865	1.9
145.57028	1.5
155.10800	2.8
158.16357	1.3
160.39812	1.5
162.37511	1.3
166.45816	1.3
171.10268	27.3
177.12799	1.3
178.47871	1.6
185.11807	22.6
197.11865	26.0
201.11438	2.6
209.11887	2.2
211.13388	6.7
229.14528	1.8
249.33005	1.4
291.19614	6.3
309.20932	2.5
327.21796	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2179
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
57.03438	0.7
57.34843	0.3
59.01358	1.1
67.05514	0.3
71.01379	0.6
72.74979	0.3
83.05020	0.7
85.02941	3.3
87.04524	2.5
93.41382	0.3
95.05020	0.7
97.06573	5.0
107.08673	1.3
125.09724	1.9
127.11281	2.1
137.09744	0.6
144.10294	1.4
149.09798	0.4
155.10786	0.7
155.14481	0.4
165.12851	0.6
167.14404	1.3
171.08846	0.7
171.10263	12.2
177.12842	0.7
181.12344	0.5
183.10271	0.5
183.12634	0.3
183.13936	4.5
185.11861	2.7
193.12328	1.9
195.13928	0.5
197.11784	2.2
198.84453	0.4
199.13330	0.6
201.11320	3.2
203.10861	0.6
209.11855	2.2
211.13405	29.1
221.11839	3.7
221.15393	4.7
229.14432	15.9
237.76671	0.4
239.12883	2.1
239.16527	4.1
247.20493	0.5
251.16512	1.3
273.18610	0.4
291.19724	4.1
309.20712	2.9
327.21796	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2178
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
53.88124	0.6
58.83524	0.7
59.01378	3.4
63.01568	0.8
65.77930	0.6
85.02975	0.7
97.06589	1.1
98.03105	0.9
111.08149	13.3
113.86143	0.8
137.09695	1.4
169.12363	6.5
171.10284	7.6
183.13950	1.5
185.11827	1.8
195.14027	0.8
196.69292	0.7
197.11845	52.0
199.13368	7.4
201.11424	1.1
211.13402	5.5
221.11938	1.0
227.12885	1.2
229.14406	0.9
239.16513	1.3
251.16554	1.1
262.07434	0.8
263.20206	1.1
291.19696	3.0
309.20724	1.0
327.21802	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2545
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
52.60905	0.9
54.51284	0.8
71.01384	9.3
72.94550	0.9
78.04536	1.0
85.99734	1.0
89.02437	56.4
91.43369	1.1
93.54042	1.2
130.10408	0.9
134.97607	1.0
160.15826	1.0
161.64381	1.0
185.28148	1.0
190.28387	1.1
255.23312	100.0
327.21921	2.0
327.25363	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	327.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84217	0.8
56.07726	0.8
59.01376	1.8
59.26886	0.7
74.46468	0.9
76.38952	0.9
78.69220	1.0
86.36354	0.8
89.02468	1.0
91.04000	4.0
91.93922	1.1
203.36600	1.0
220.65427	1.0
222.97940	1.0
235.20692	28.3
245.97659	1.1
253.21758	100.0
299.26056	1.7
327.21655	1.2
329.33994	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38359	0.7
58.66693	0.6
59.01379	1.3
80.14378	0.8
84.49461	0.7
91.03978	4.2
96.51711	0.6
111.06165	0.7
116.85696	0.7
121.09762	0.7
162.96211	0.7
168.67563	0.7
185.09436	0.7
195.61537	0.8
235.20682	19.2
253.21747	100.0
262.28583	0.9
287.02786	0.8
299.25800	1.7
324.43625	0.7
327.21750	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	327.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
78.53101	0.5
92.22494	0.7
105.66734	0.6
143.18752	0.6
223.28932	0.6
279.26938	2.7
281.28516	100.0
309.28073	1.3
327.29077	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	327.2908
Annotation	L-2-Hydroxyphytanate
Peak:m/z	Relative Intensity
50.73172	0.8
50.94937	0.7
59.01382	90.3
83.65125	0.8
92.82313	0.9
127.14418	0.9
209.47621	1.1
327.29099	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.0456
Annotation	cAMP
Peak:m/z	Relative Intensity
68.45097	0.3
78.95908	1.5
92.04514	0.3
96.96946	0.3
104.51667	0.3
107.03617	1.9
107.97897	0.3
129.49852	0.3
134.04730	100.0
224.25127	0.5
296.96249	0.4
328.04559	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	328.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17623	0.6
56.45104	0.4
66.51805	0.5
72.00911	8.4
74.02470	100.0
78.49146	0.5
87.25314	0.6
92.34936	0.6
94.76620	0.5
111.08139	3.0
117.79294	0.6
118.05097	73.8
162.57338	0.6
165.09103	0.6
165.12846	34.8
176.04128	0.6
181.12277	0.6
183.13860	0.6
209.11879	5.7
222.14972	4.4
227.12941	1.1
229.29810	0.6
284.15097	18.5
328.17703	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	329.0218
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43261	7.5
59.01382	20.5
79.57872	8.1
79.86961	8.3
87.00890	8.6
88.26613	9.3
96.96060	10.0
106.98063	9.0
154.91321	13.9
156.01511	40.5
159.01448	70.9
168.99956	11.4
170.97795	11.9
178.95006	10.6
181.99403	10.8
187.01007	100.0
201.02481	17.6
224.98906	15.3
287.01044	11.1
304.72772	10.3
329.01852	21.0
334.60651	9.1
349.98486	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	329.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31820	0.3
58.39889	0.3
59.01380	3.2
60.08453	0.3
71.01375	5.3
73.02943	2.1
74.33755	0.3
85.02946	2.3
89.02424	0.6
89.52139	0.3
99.00894	0.7
101.02437	3.9
108.02141	0.5
109.02926	0.6
113.02438	3.4
119.03506	0.6
121.02962	2.1
122.03728	100.0
123.04511	15.8
126.03126	0.8
133.01556	0.4
134.04730	0.7
135.04436	0.8
136.51190	0.4
137.06071	2.2
143.03455	0.4
147.04543	1.6
149.06099	0.6
159.02962	0.6
161.04561	11.9
165.05531	5.1
174.91335	0.3
177.05585	2.2
181.08766	0.4
193.88519	0.4
216.09535	0.4
248.82639	0.4
285.09848	3.9
293.08981	0.4
293.12280	0.5
326.52518	0.4
329.08826	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	329.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
60.18979	0.3
71.39468	0.2
73.51128	0.2
79.59024	0.3
81.03431	1.1
83.01390	0.4
92.43208	0.3
104.26846	0.3
106.36219	0.3
123.04510	16.0
125.02426	3.6
149.02429	0.4
151.00386	0.5
167.03496	100.0
191.03424	0.3
209.04611	0.4
329.08655	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	329.1092
Annotation	5-OP-RU
Peak:m/z	Relative Intensity
59.01381	3.8
67.96546	3.2
71.01376	5.7
75.00871	3.2
80.96177	2.7
82.51926	3.2
83.01358	3.4
87.00894	3.7
88.04034	3.4
89.02435	17.7
94.30757	2.7
99.00909	3.1
101.02466	3.7
113.03549	6.7
114.01966	4.5
119.03504	3.3
122.03731	58.1
123.04529	6.0
125.02421	15.7
129.99925	3.7
131.03496	3.3
131.04605	18.9
131.68587	2.8
135.19702	2.7
149.04550	100.0
151.34077	3.2
161.04483	5.3
213.03677	16.6
329.09363	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	329.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
71.01383	11.7
73.02948	1.4
83.01392	1.1
85.02955	3.9
87.00883	0.9
91.01872	1.7
101.02432	8.0
102.05636	1.3
105.62402	0.9
107.05031	17.8
112.84264	1.0
113.02435	6.2
124.35639	0.9
128.03560	1.6
130.08670	1.1
135.00917	8.2
136.39543	0.9
159.02980	1.3
161.04561	19.5
167.03499	45.0
269.10254	5.2
277.88257	1.0
312.16785	0.9
329.08862	6.1
329.13321	6.2
329.22812	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	329.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82785	0.4
59.01384	100.0
71.01377	4.2
73.02942	1.1
85.02966	2.5
85.63608	0.4
86.20866	0.5
91.51453	0.6
101.02424	4.1
113.02438	2.0
159.02975	0.6
161.04584	2.8
167.03572	3.3
268.06601	0.6
269.10300	10.3
298.09415	0.6
329.12891	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
62.39576	0.9
67.34576	1.0
71.01378	47.3
73.02970	1.2
83.01382	1.7
85.02951	9.6
87.00856	1.3
87.17335	1.4
89.02435	64.7
95.01365	2.0
101.02439	31.0
113.02462	24.0
113.06134	1.4
118.05086	5.9
119.02689	2.0
119.03491	32.7
124.05156	9.3
131.03493	1.8
134.03738	22.1
143.03453	2.1
149.02576	1.1
149.04791	2.0
149.06067	27.3
152.04759	1.4
161.04553	2.4
167.03490	4.8
167.07153	1.3
179.05597	6.6
272.11322	1.1
329.12540	27.1
329.19275	1.2
342.03635	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33338	1.0
56.58765	1.0
58.02973	5.5
74.02464	16.7
84.04521	2.0
90.87228	1.1
98.02502	1.4
99.00859	4.9
108.01852	1.3
109.06586	5.2
118.05092	78.3
126.09227	5.0
138.08975	1.1
152.10815	26.3
166.12369	2.2
180.10320	6.0
182.08188	1.4
184.13417	6.8
210.11357	48.5
228.12422	27.2
254.10275	10.3
272.11411	36.4
290.10443	1.3
329.13562	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1397
Annotation	5-Deoxystrigol
Peak:m/z	Relative Intensity
59.01373	1.5
72.43824	1.0
76.43216	1.0
77.28214	1.2
78.32046	1.0
83.61439	1.0
94.97363	1.2
121.02948	4.6
122.03688	1.3
136.05341	4.4
137.06082	1.5
146.51698	1.2
147.04510	4.7
150.03194	6.2
153.05594	1.2
158.03735	2.1
159.04475	15.9
160.05284	68.3
160.06627	2.4
161.06087	15.9
163.03975	5.3
164.04764	5.8
173.06076	9.5
174.06914	2.0
175.06131	1.6
175.07645	47.0
176.04741	1.3
177.05609	9.9
178.06363	21.6
192.07953	2.4
193.08673	2.2
201.10501	1.3
299.05859	1.4
329.10587	5.0
329.13980	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10472	0.7
51.88398	0.7
53.17913	0.7
59.01385	1.6
59.88613	0.8
84.89095	0.8
117.71661	0.9
121.02958	6.6
122.03731	2.0
123.00912	0.8
123.04429	1.0
136.05272	1.2
143.05063	1.6
147.04507	5.1
149.02448	3.2
150.03194	5.4
158.03720	5.6
159.04509	14.3
160.05293	69.9
161.06062	16.0
163.03996	3.4
164.04814	4.1
173.06059	7.2
174.06876	1.8
175.06111	1.9
175.07632	44.9
177.05556	9.0
178.06371	24.0
192.07942	8.3
193.08658	3.1
259.84750	1.0
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	329.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.9
65.06188	0.6
81.12663	0.6
84.38754	0.7
121.02935	6.4
122.03701	1.4
124.01643	1.0
136.05289	1.2
137.02429	0.9
147.04521	5.1
150.03212	5.3
158.03728	4.0
159.04512	17.9
160.05287	73.4
161.06070	20.0
163.03992	4.0
164.04784	3.2
173.06047	8.4
174.06879	4.5
175.07643	41.6
177.05577	9.5
178.06355	27.3
190.28497	0.7
191.49255	0.7
192.07928	9.7
193.08786	1.5
223.71075	0.7
241.09877	3.2
274.05957	0.8
283.51559	0.8
285.08997	1.1
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	329.172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84008	0.8
58.02976	13.8
72.00925	2.1
77.90489	1.0
77.93717	0.9
84.04535	22.3
86.02475	11.2
92.23059	1.8
98.02454	1.2
98.06101	6.8
99.00859	15.2
110.16864	1.1
112.04043	8.2
113.19180	1.1
116.07135	2.2
118.05088	28.5
118.30563	1.2
133.02635	1.1
142.05095	38.4
159.01669	1.3
160.06155	20.3
168.10252	11.0
182.68759	1.0
186.11360	6.6
304.96783	1.1
329.17212	100.0
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
54.74970	5.1
59.01381	9.2
59.12424	5.3
79.96923	6.1
82.78902	5.1
85.10120	6.2
86.95956	5.3
90.94645	5.5
91.39359	6.0
97.99924	5.4
100.63367	5.2
101.12056	4.8
135.25163	5.8
163.47664	5.5
178.49300	6.3
204.87889	6.3
211.13373	11.9
216.76373	6.1
235.17084	9.1
275.20154	28.7
293.21262	100.0
329.23221	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	329.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16623	5.9
51.36696	5.9
51.65498	6.1
51.86932	5.5
59.01376	12.4
75.51083	7.5
86.89262	7.6
103.76283	9.0
109.58841	7.4
112.86511	7.5
127.22009	8.6
137.69781	6.7
171.10284	10.6
211.13419	34.6
214.27533	7.7
229.14474	8.2
293.21225	100.0
329.23251	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	329.2335
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
57.03462	1.1
70.58263	0.7
70.92649	0.6
71.00809	0.6
99.08131	5.6
118.43279	0.6
125.09696	1.1
127.11293	2.9
129.09143	0.7
132.55173	0.7
149.75743	0.7
150.55893	0.6
154.83424	0.8
167.14433	1.6
171.10277	5.0
183.13893	7.1
193.12337	2.8
199.13557	0.7
209.11858	2.7
211.13405	46.9
229.14473	23.2
293.21161	1.4
321.19327	0.8
329.23370	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	329.2335
Annotation	9,12,13-TriHOME
Peak:m/z	Relative Intensity
50.82774	1.3
59.01373	1.6
84.23320	1.4
87.85008	1.9
90.25290	1.5
92.22511	3.3
99.08147	3.8
117.33701	1.5
129.09224	13.9
129.30026	1.8
158.27603	1.9
169.12325	9.0
171.17169	1.7
181.12294	3.4
183.13971	3.0
191.76668	2.1
192.90668	1.6
193.12260	2.0
193.87747	1.8
197.11871	2.1
199.13412	35.3
211.13438	20.0
275.19971	1.7
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	329.2335
Annotation	9,12,13-TriHOME
Peak:m/z	Relative Intensity
53.09009	0.5
58.00589	1.0
59.01383	7.8
99.08157	4.4
110.26931	0.6
118.16552	0.6
129.09204	8.0
155.10701	0.6
169.12367	8.3
171.10231	0.9
181.12355	4.8
183.13878	3.0
193.12340	1.2
197.11848	4.3
199.13408	26.1
209.11815	0.6
211.13406	17.3
227.12941	1.1
229.14456	3.1
241.61707	0.6
266.81589	0.6
275.20099	0.9
275.78366	0.6
287.22269	1.1
293.21222	4.2
309.24902	0.7
311.22311	3.7
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	330.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25278	1.1
54.60267	1.1
58.02956	1.9
58.08532	1.0
58.50823	1.1
59.01382	2.2
69.96797	1.2
71.01377	3.0
73.04041	1.3
74.02470	36.9
82.02978	1.1
87.05663	2.0
88.04032	41.9
88.04531	2.6
102.05545	1.6
104.03536	7.0
112.04040	9.7
127.05121	8.1
128.03554	11.7
128.07175	1.7
129.10329	18.3
130.08705	18.9
143.11877	10.8
145.06221	1.8
146.04506	1.9
150.47475	1.4
155.08272	2.2
155.11896	7.8
157.13458	9.0
161.38719	1.5
179.11884	7.5
196.14583	2.3
197.12938	16.5
197.16580	1.4
197.38284	1.4
200.14056	7.0
201.12448	20.7
223.10951	19.3
225.16086	15.4
229.17484	2.7
232.67827	1.4
240.13696	1.7
241.11972	6.5
243.16869	1.6
256.20352	13.3
258.14468	2.2
268.17081	3.4
268.20300	11.1
286.14001	5.3
294.12805	6.5
300.19189	11.7
312.15814	12.2
316.29181	1.5
330.16757	100.0
330.20291	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	330.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
65.02266	0.9
68.94532	0.9
73.04064	7.0
96.05640	1.0
99.05600	1.4
116.07166	4.9
116.49440	1.0
125.07148	1.3
126.05585	2.0
127.08756	5.1
128.03532	9.6
129.10309	4.8
130.08731	100.0
130.54868	1.0
137.08359	2.3
138.08734	1.4
143.08241	1.4
143.11938	1.6
155.08276	13.6
167.09395	6.7
168.09727	1.7
169.09796	1.4
185.16591	49.2
207.48438	1.0
225.79880	1.4
229.15533	5.6
237.17068	1.1
242.18727	28.2
268.18591	1.5
286.17627	32.5
312.15671	1.8
330.16879	6.4
330.20395	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	330.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95520	0.6
63.42260	0.8
68.34734	1.1
73.04067	4.9
81.54029	0.7
130.08734	78.3
139.08830	1.2
140.07182	5.9
141.10338	4.9
143.11897	3.8
169.09787	7.7
180.50343	0.9
199.10811	5.8
199.18169	48.1
209.11836	4.8
242.95201	1.0
256.20313	31.1
300.19250	8.6
312.19293	1.1
330.20361	100.0
330.79425	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
73.04058	9.0
74.02475	0.7
82.06611	1.1
89.20621	0.7
90.33526	0.6
90.76560	0.6
100.07619	0.6
103.05180	0.8
104.44801	0.6
115.77272	0.6
130.08728	87.3
139.08766	1.0
140.07195	8.4
141.10358	4.6
143.11864	1.2
168.11482	0.8
169.09851	10.7
181.09828	1.4
182.08252	1.5
182.15472	2.6
186.12535	1.6
199.10916	8.1
199.18175	40.3
211.41365	0.6
229.91330	0.7
243.17183	3.7
256.20309	23.2
300.19403	9.8
330.20370	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	330.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
66.38963	0.7
73.04060	4.3
87.55823	0.9
130.08733	96.7
139.08742	0.9
140.07143	6.9
141.10342	4.4
143.11827	2.1
152.62451	0.8
164.70464	0.8
169.09821	12.3
174.97978	0.8
181.09706	1.3
188.80252	1.0
198.12614	1.1
199.10844	7.4
199.18166	43.9
231.12282	1.1
243.17126	5.4
256.20325	22.3
268.20193	0.8
278.39825	0.9
300.19296	7.1
330.14203	3.2
330.20367	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	330.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45614	1.4
56.31341	1.4
59.01381	2.3
61.57102	1.5
62.01748	1.4
66.87178	1.3
70.80955	1.4
99.08189	2.7
129.09251	5.6
130.09561	2.8
136.69102	1.7
182.12608	2.5
183.27875	1.7
198.15004	1.7
199.13301	5.6
200.13763	15.6
211.13451	11.4
212.13724	25.4
220.62384	1.6
230.14975	2.6
294.21384	2.6
312.22568	1.7
330.23645	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.6
63.16121	0.6
66.87459	0.8
84.51965	0.7
99.08170	3.4
100.08499	1.2
129.09253	8.0
130.09538	5.0
169.12360	4.1
170.12671	3.0
181.12392	1.7
182.12773	3.0
187.12465	0.8
188.12813	0.7
198.12192	1.6
199.13448	10.7
200.13786	18.5
210.12155	1.6
211.13571	5.0
212.13866	11.5
230.14897	0.9
276.20544	0.9
294.21603	4.2
312.22409	2.9
330.23703	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.237
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	0.7
59.01374	1.9
64.39662	0.4
83.27080	0.4
91.69357	0.4
99.08156	3.3
100.08492	0.9
127.07672	0.9
129.09215	4.8
130.09541	3.0
140.11678	0.5
169.12331	2.6
170.12683	3.4
171.10265	0.5
174.09612	0.4
181.12401	0.8
182.12671	2.1
184.14294	0.6
185.11894	0.8
186.12175	1.9
197.11838	0.7
198.12186	2.7
199.13403	6.7
200.13747	12.1
201.11327	0.7
202.11554	0.6
211.13417	5.0
212.13716	8.4
228.13213	0.6
276.20389	0.6
294.21628	3.2
300.73459	0.4
312.22534	3.4
330.23703	100.0
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
54.01786	1.3
56.63768	1.3
58.02968	2.8
58.72398	1.2
59.01383	3.3
60.52966	1.4
62.92965	1.2
64.66909	1.4
75.56093	1.6
78.19498	1.3
86.66188	1.4
99.08152	9.1
100.08498	1.9
100.88295	1.4
103.90845	1.5
113.09717	13.0
120.41933	1.5
127.07646	3.3
127.11282	2.0
129.09206	31.3
139.11295	6.2
140.11687	2.5
142.68828	1.6
153.12895	1.9
168.14784	1.8
170.15506	3.7
171.10327	11.9
172.10664	7.4
180.13948	6.6
181.12411	2.7
182.15588	2.0
184.14276	2.6
184.17039	2.2
195.13908	7.3
198.15041	38.2
210.14984	24.9
211.13483	14.9
212.13742	24.9
212.16629	8.9
228.16028	24.0
229.14514	6.8
230.14838	14.3
242.17415	1.9
276.23242	2.0
312.25555	2.4
330.23499	100.0
330.26639	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	330.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86757	1.1
58.00596	2.4
58.02977	2.5
59.01393	6.3
64.81183	1.1
68.72985	1.3
74.71300	1.4
113.09748	6.8
127.11319	5.9
129.09190	10.3
141.12894	2.0
142.12440	2.3
143.10794	9.4
152.10843	3.3
154.92645	1.5
155.10789	7.7
157.12323	28.0
166.12433	2.0
170.11858	28.9
170.13055	1.8
170.15649	1.8
180.13921	2.9
181.12378	2.1
182.11955	8.9
184.13367	12.5
195.13940	1.7
196.13524	6.0
198.14983	14.9
200.12926	25.7
207.57796	1.6
210.15106	9.8
211.13423	2.2
212.13849	5.2
212.16748	1.8
214.14635	6.8
228.16145	6.1
230.14787	1.8
235.01472	1.5
276.23581	2.6
279.89008	1.8
299.25165	1.6
310.24106	1.4
312.25558	2.8
330.23520	14.0
330.26715	100.0
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
50.14704	3.0
50.42648	2.5
53.04145	2.4
55.32400	2.6
70.16237	3.1
85.04323	3.1
95.48072	3.2
99.08150	8.1
113.06091	12.0
115.07629	43.7
163.33911	3.4
171.10332	4.2
172.10623	3.6
194.15523	17.6
195.13840	4.2
212.13750	4.0
212.14600	3.7
212.16557	49.2
224.16531	40.1
226.18109	5.8
240.19710	4.9
242.17674	40.2
252.19728	4.3
256.19174	4.9
328.12924	3.8
330.23392	41.1
330.26602	100.0
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
50.82781	0.9
59.13829	0.9
59.80023	0.9
65.22665	1.0
68.99094	1.1
74.25189	1.0
83.28075	1.1
94.15535	1.3
99.08147	3.8
113.09676	4.2
122.12502	1.0
127.07641	5.8
129.09216	19.1
149.56134	1.1
180.13969	2.4
183.13942	6.4
184.14241	8.6
193.12323	1.8
194.12686	2.1
198.15039	16.0
200.13760	1.3
210.12263	1.3
210.14986	12.3
211.13412	32.8
212.13739	60.4
212.16669	1.6
228.16000	16.4
229.14491	4.1
230.14819	8.2
239.16516	1.7
312.22607	2.3
312.25833	1.5
330.23663	100.0
330.26675	18.7
353.10895	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	331.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00996	0.5
84.04558	1.0
105.79734	0.6
108.23161	0.6
111.26449	0.6
118.02982	8.5
124.07687	1.3
129.45930	0.6
173.09729	0.8
188.10828	1.0
200.10890	9.0
201.10339	0.7
215.08257	1.3
215.11864	3.0
216.10234	2.6
226.08730	1.0
228.08998	2.4
241.10001	0.8
243.11386	100.0
261.12500	1.1
287.10400	37.6
331.09436	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	331.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05256	0.5
58.09908	0.5
71.01371	1.0
73.04057	0.8
74.02477	0.8
82.00566	0.7
85.02954	1.1
87.91831	0.5
88.04028	0.8
96.00896	2.1
98.02483	1.2
110.00101	1.3
110.79066	0.6
111.08151	0.7
113.02432	1.1
115.92039	0.9
116.04996	0.7
118.05000	0.6
123.04509	0.8
124.55624	0.5
125.02442	4.0
127.05154	0.8
128.03455	0.6
130.08743	4.9
137.99579	2.1
139.00328	0.9
140.01169	0.5
141.30421	0.6
143.11903	1.2
144.11430	2.1
152.01134	3.6
153.01929	100.0
154.02702	3.5
155.03487	2.3
158.12950	2.3
161.04529	1.3
166.02728	0.5
167.03490	9.9
168.04282	54.2
169.01416	2.7
169.03806	0.7
169.05070	9.3
169.09775	0.6
170.05717	0.5
182.99364	1.1
186.37906	0.6
187.10876	0.8
198.01759	2.3
202.12129	2.0
209.04582	0.9
255.04892	0.6
301.15186	2.3
331.02521	0.6
331.06491	4.3
331.10349	15.7
331.17026	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	331.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06430	0.3
54.32394	0.3
71.45911	0.4
85.02445	0.5
92.22484	0.6
100.11279	0.4
106.06609	0.6
107.17973	0.5
108.22514	0.4
131.03535	0.6
135.13237	0.5
137.09703	6.8
138.01984	0.7
149.04558	1.9
150.05630	0.4
153.04355	0.5
155.10779	100.0
172.10144	0.6
181.08727	0.9
189.13759	0.5
199.09766	41.5
331.14041	24.3
339.81238	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
77.72159	0.3
87.44057	0.3
90.06042	0.3
92.22498	0.5
95.66126	0.4
100.46227	0.3
105.99767	0.3
110.09724	0.3
112.04266	0.3
112.36047	0.3
137.09714	6.1
143.80331	0.3
149.04619	0.6
151.89203	0.4
155.10773	100.0
165.95213	0.4
181.08655	0.8
199.09766	38.3
217.42754	0.4
331.13992	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	331.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29428	1.5
53.43955	1.5
58.42846	1.5
59.01380	1.6
64.95455	1.3
70.02971	7.7
73.04067	15.0
74.02476	16.4
87.90998	1.5
88.03999	2.0
94.02937	1.6
94.51512	1.7
96.00915	12.4
99.00928	1.8
99.04504	2.6
100.76881	1.7
104.03509	1.8
113.03575	9.4
114.01949	20.2
122.03687	3.0
125.02379	2.3
129.10332	7.4
130.06210	10.0
131.04610	9.9
136.41849	1.7
138.05548	1.7
140.07166	1.9
140.42220	1.6
144.07669	1.8
155.11964	3.1
161.04524	9.1
168.11363	2.4
169.01442	2.6
179.50279	1.7
186.12480	62.0
204.90613	1.8
216.13530	7.3
287.13614	15.7
313.15146	2.8
331.16254	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.1
60.88831	1.0
72.00890	2.1
74.02472	6.2
74.03590	50.3
79.03001	2.6
80.02574	1.4
81.04608	2.9
83.05009	1.3
84.02150	9.4
88.50063	1.3
90.44582	1.3
94.04113	16.0
96.05687	2.3
98.02469	5.5
98.12271	1.2
99.00875	20.7
99.08121	1.8
111.08140	23.1
112.05164	1.9
112.37880	1.3
113.09733	2.0
116.03522	2.3
118.05092	100.0
127.11279	7.2
128.10773	2.0
128.42667	1.3
130.80609	1.4
133.06163	5.5
137.09715	28.1
141.09174	1.9
153.09280	1.5
155.10774	63.8
175.08369	80.0
195.10245	1.6
196.14560	1.8
210.96220	1.5
212.14101	63.6
224.98531	1.3
230.15140	32.5
256.11923	12.1
274.13004	23.9
287.17987	1.8
289.49585	1.6
296.59055	1.7
331.15057	36.0
331.19986	10.8
348.21170	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	332.099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31867	0.5
52.69363	0.4
55.01874	3.7
59.01383	11.5
71.01374	6.7
74.02491	0.5
75.00868	2.5
85.02947	2.1
88.61359	0.5
89.02446	0.9
101.02404	0.9
112.04034	27.5
122.06110	3.6
124.04028	26.5
129.01935	2.4
140.07166	15.6
147.02988	4.2
156.73715	0.6
163.68375	0.6
165.04019	4.2
166.05093	2.6
184.06146	100.0
198.30623	0.5
201.51225	0.6
332.09869	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	332.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
76.37834	87.6
86.67870	86.1
94.29819	100.0
113.03551	97.9
114.42395	95.0
142.96150	94.0
153.09407	84.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	21.5
71.01375	14.3
78.95899	10.2
89.02436	61.4
99.01989	22.5
101.02441	6.4
102.86706	2.4
104.39347	2.5
112.53041	2.4
134.60239	2.6
149.04538	25.8
152.99585	20.5
161.04500	5.5
209.01253	3.1
241.01204	12.9
297.11850	18.5
333.05975	27.5
333.09381	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03182	1.5
57.19809	1.1
59.01374	7.8
71.01364	2.5
83.02520	1.6
86.92100	1.3
89.02469	1.3
98.02483	1.7
99.44005	1.5
99.51627	1.5
109.06582	5.2
110.02460	2.6
122.06095	1.6
124.04043	2.1
127.07653	18.3
130.08716	5.7
134.06134	2.2
135.43202	1.8
136.04047	1.9
136.07663	2.5
138.09250	2.3
141.09224	12.9
150.05629	3.0
164.07335	1.4
166.85439	1.5
171.06673	10.4
171.10271	1.6
175.05164	1.6
181.74419	1.8
184.07732	3.1
185.08243	8.0
185.09772	3.3
199.08746	2.3
200.10800	3.5
212.05862	12.4
213.06490	2.3
215.08095	1.6
223.10835	2.3
227.08286	44.8
228.08954	70.3
229.09810	17.8
242.10587	3.0
243.11594	12.9
253.09859	2.8
253.53465	1.5
256.08560	7.8
259.10898	5.7
267.09900	17.9
271.10916	96.5
289.11978	100.0
297.10989	16.9
315.11966	3.6
333.07474	2.8
333.12445	13.2
333.16110	2.8
345.19742	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	333.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01910	4.7
54.65730	2.3
58.02977	78.3
59.01383	90.5
66.19373	2.8
76.08536	2.6
77.59143	3.0
78.22463	2.7
91.05521	15.7
114.34390	2.8
116.05046	84.2
118.06574	12.4
123.09233	15.3
129.10327	27.3
135.65871	3.2
139.08873	10.6
171.11359	39.8
174.05598	12.3
198.12886	12.4
210.10081	11.4
215.15536	13.3
231.15004	6.4
242.11839	71.7
257.16608	41.1
259.14453	34.2
291.17407	6.4
301.15555	100.0
306.96317	3.1
315.87302	3.4
333.18216	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	333.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54174	0.4
57.31731	0.5
58.02993	0.5
59.01380	100.0
71.01374	1.2
72.03367	0.5
73.02908	0.8
82.92628	0.5
85.02927	0.8
93.03702	0.6
94.67718	0.5
101.02438	2.2
113.02446	0.9
137.40840	0.5
144.26038	0.6
146.53400	0.6
179.43709	0.5
215.28786	0.5
261.84021	0.5
283.27713	0.7
288.99747	0.5
291.18295	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	333.1919
Annotation	bhos#16
Peak:m/z	Relative Intensity
59.01382	100.0
60.76049	0.8
71.01382	4.0
73.02954	1.7
74.37018	0.9
74.67229	0.9
83.01383	1.6
85.02937	1.9
101.02446	4.9
113.02483	1.3
127.86972	1.1
132.09290	1.0
144.60954	0.9
168.88329	0.9
175.91360	0.9
179.13707	0.9
291.18140	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	333.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.79852	0.5
68.33601	0.6
69.38055	0.6
71.01376	7.4
73.02941	3.7
83.01367	1.2
85.02949	3.7
90.40279	0.6
94.00870	0.6
99.00851	0.9
100.95715	0.7
101.02424	8.3
109.09831	0.6
113.02441	2.9
161.04620	0.8
178.33904	0.7
187.30846	0.7
198.55145	0.9
215.34685	0.7
262.17081	0.7
291.18185	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	333.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
85.29164	62.5
117.77057	70.0
170.73985	77.3
190.07220	65.6
260.37015	88.9
269.11646	70.3
333.20801	85.5
333.24750	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1778
Annotation	Phe Gly Ile
Peak:m/z	Relative Intensity
59.01368	1.7
65.25935	1.1
68.12964	1.1
73.04064	30.4
74.20403	1.0
82.06599	1.9
83.02499	5.5
100.99657	1.2
127.16750	1.3
129.10304	6.2
130.08730	47.9
131.05019	5.0
132.54445	1.3
146.06195	1.7
147.04453	8.7
163.80334	1.5
164.07172	18.6
168.11444	2.1
169.09810	5.6
186.12474	22.0
203.08325	13.7
216.13972	18.3
233.16608	6.0
274.17389	7.6
277.15475	2.1
334.17712	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34398	0.9
55.48309	0.8
56.30791	0.9
57.03448	0.9
59.01377	6.8
61.60699	0.8
63.37561	0.9
71.01375	4.5
75.19770	1.1
78.95903	5.9
89.02427	2.2
93.03452	20.7
101.02444	1.8
110.98535	10.0
111.04521	5.8
125.03561	100.0
137.02441	67.6
138.05629	1.8
144.09967	1.0
155.03459	2.5
191.01236	6.1
209.02150	5.2
247.45598	1.1
299.07791	8.9
335.06412	22.0
335.10117	2.1
335.13531	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	335.0654
Annotation	NMNH
Peak:m/z	Relative Intensity
54.55958	0.5
59.01380	2.6
68.66283	0.4
71.01385	0.6
71.48518	0.4
76.97980	0.5
78.95901	5.6
89.02420	0.6
93.03445	4.6
97.02932	0.6
101.02458	0.7
110.98522	10.3
124.14235	0.5
125.03560	100.0
137.02449	19.3
138.05656	0.7
179.01132	1.0
191.01158	5.6
193.86266	0.5
209.02214	5.7
243.64691	0.5
299.07877	2.0
335.06497	17.0
335.13605	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	335.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.0
57.03456	11.3
59.01384	10.7
62.92384	0.4
68.99809	0.6
71.01388	5.8
72.99324	1.0
73.02943	0.8
75.00839	0.6
83.01402	1.2
84.02135	0.8
85.02945	100.0
87.00877	0.6
89.02448	1.8
99.00925	0.6
101.02438	3.0
103.00381	2.2
111.00891	3.8
113.02407	0.8
129.01923	10.5
143.10797	7.3
147.02995	9.6
155.10736	0.7
173.00916	2.1
191.01982	25.6
191.95392	0.5
211.13324	0.8
244.52605	0.6
291.13690	0.5
317.12445	2.0
335.13467	17.2
335.20764	3.1
348.51404	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03194	1.1
57.03446	17.7
59.01383	45.1
62.08250	0.8
71.01355	1.4
83.05006	4.8
85.02930	0.9
93.03460	1.1
101.02420	2.3
105.07057	4.9
107.05032	1.2
113.02409	1.4
123.34199	0.9
135.04475	4.0
137.09631	3.7
145.10161	5.2
203.14375	1.8
211.14992	7.9
213.48891	1.1
214.15279	2.0
229.15872	1.4
247.16943	1.3
248.14006	6.4
273.15121	7.3
291.12994	1.7
291.16010	28.6
293.16342	2.8
335.14896	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02501	1.0
53.49726	1.2
58.21859	1.1
59.01382	65.2
70.70102	1.1
74.02456	1.2
91.04015	2.1
99.45312	1.2
104.10387	1.2
123.93401	1.2
125.09708	2.7
127.11269	1.3
155.10783	1.4
158.66260	1.4
163.03951	1.3
163.11330	1.7
166.50797	1.3
180.06630	2.1
181.07025	4.7
181.12262	4.0
199.13428	17.7
201.11334	80.6
201.13216	2.7
204.33464	1.2
207.10310	2.0
211.94852	1.2
217.14392	4.8
225.11298	17.1
243.12350	8.4
261.13492	2.0
278.74210	1.3
299.15106	2.6
317.16068	6.1
335.13385	8.3
335.17148	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	335.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19745	2.5
59.01385	24.9
66.59780	2.9
68.18452	3.1
68.32098	2.7
70.80205	3.4
87.30594	3.2
92.23149	3.6
117.06290	3.4
120.64051	3.4
151.75931	3.4
253.21851	30.8
335.22073	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	335.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	12.9
62.06852	1.4
62.64270	1.3
63.77965	1.3
93.85162	1.5
93.95316	1.4
104.30548	1.6
173.76251	1.7
177.94037	1.7
179.23955	1.7
212.56975	1.7
253.21750	100.0
298.30588	1.6
335.22037	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	335.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
63.80947	0.6
78.86926	0.6
84.28064	0.7
90.56271	0.5
95.74732	0.5
96.81779	0.6
96.96032	1.0
117.42496	0.6
179.83049	0.6
223.13321	1.0
231.21150	1.1
242.16745	0.7
275.20206	57.0
293.21274	16.6
335.22345	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	336.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19124	1.0
54.27191	1.0
56.89375	1.1
61.37735	1.2
63.04964	1.2
76.90569	1.2
231.23753	1.2
261.05557	1.5
261.08041	6.6
263.05652	2.5
263.09650	2.3
264.10236	6.2
276.10254	3.3
277.07434	2.8
278.08209	12.3
290.04587	22.2
291.05420	49.6
291.08572	2.6
292.09717	2.1
294.07742	24.6
305.06967	96.1
306.07761	100.0
320.05545	2.7
320.09256	66.8
321.10086	52.2
336.12415	69.1
336.18723	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	337.0444
Annotation	1-(5-Phosphoribosyl)imidazole-4-acetate
Peak:m/z	Relative Intensity
53.84714	0.4
56.83509	0.4
59.01387	1.1
62.87440	0.4
67.66385	0.4
73.02952	0.7
78.95894	10.4
89.02471	0.5
94.81352	0.4
99.00881	0.6
102.12026	0.4
104.30487	0.4
110.98524	6.3
111.01991	100.0
114.81251	0.5
154.45903	0.5
166.70859	0.5
192.99077	0.8
205.61725	0.5
225.01698	6.6
337.04370	22.0
337.07660	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	337.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.5
71.01363	1.9
73.02954	2.6
75.00892	0.4
82.57146	0.3
87.00863	0.9
89.02436	19.1
103.04013	1.8
113.99583	0.8
131.03494	6.7
140.95998	0.8
149.04550	100.0
165.03957	0.5
166.50139	0.4
174.01698	1.7
200.13364	0.4
245.36748	0.4
277.05713	0.7
337.05383	7.2
337.08350	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	337.078
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
53.77382	0.9
57.03452	1.1
57.17509	0.8
58.08204	0.9
59.01374	6.8
63.87508	0.8
68.15415	0.9
68.99839	1.4
69.03442	0.9
71.01392	2.0
73.02953	1.5
74.02483	5.6
78.95904	2.0
85.02939	6.2
86.86514	0.9
87.00873	2.2
89.02442	1.8
93.03439	5.0
95.01433	1.0
99.00870	6.6
99.04505	1.7
101.02435	1.7
103.00388	4.2
103.27993	1.1
110.98518	2.3
111.00849	1.5
111.01998	26.3
113.02460	7.9
113.99580	17.4
115.00352	12.4
125.02425	1.2
127.00378	2.1
129.01903	1.4
133.01439	5.1
137.02454	17.4
147.94615	1.3
154.34840	1.1
157.01398	6.3
169.01421	2.1
174.01697	30.5
175.02493	1.1
175.07343	1.9
225.01691	1.3
277.05661	22.9
299.07620	1.3
337.04834	5.0
337.07846	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.078
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05816	0.6
54.50428	0.6
56.63810	0.7
57.03463	0.8
59.01369	1.0
68.99821	0.9
71.01382	1.6
75.00861	1.1
85.02939	4.9
87.00850	1.6
89.02435	6.5
91.71638	0.8
98.02497	1.1
99.00860	4.5
101.02438	1.4
103.25887	0.7
108.90218	3.0
109.09728	0.8
110.89894	6.4
111.00862	1.5
112.89662	1.8
113.02459	6.5
113.99581	15.9
115.00362	10.2
127.00351	3.4
129.01939	4.5
131.03479	1.7
131.04625	0.9
133.01454	3.2
139.00374	1.0
149.03450	1.4
149.04544	23.6
157.01404	5.8
158.01215	0.7
165.04060	1.3
174.01691	24.0
175.02528	1.5
178.71001	0.7
277.05664	18.7
337.07822	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56316	0.2
55.48437	0.3
59.01370	2.4
60.82162	0.3
68.34673	0.3
79.70775	0.3
80.89877	0.3
81.09399	0.3
81.27425	0.3
85.02940	2.2
87.00863	0.7
93.03455	3.9
111.04515	0.4
119.05009	1.2
127.04007	0.4
128.41429	0.3
129.83003	0.3
132.66620	0.3
135.00043	0.3
145.02948	0.4
150.85237	0.3
163.03989	2.9
173.04533	2.8
191.05626	100.0
237.28517	0.3
337.09274	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	337.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57242	0.3
57.03434	0.7
57.37988	0.4
58.65061	0.3
59.01375	2.5
60.78807	0.3
60.99317	0.5
67.01881	2.3
70.28326	0.4
71.01368	2.7
75.14184	0.4
81.03436	0.4
85.02926	0.4
87.00844	0.5
93.03441	17.2
108.75700	0.5
109.02901	0.5
111.00860	0.6
111.04511	4.7
119.05013	15.6
137.02426	3.3
155.03496	4.8
157.46394	0.4
163.02638	0.8
163.04005	21.5
170.56738	0.4
173.04543	100.0
191.03989	0.7
191.05624	11.5
223.50401	0.4
233.66685	0.4
272.84213	0.5
337.05319	0.6
337.09341	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	337.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29303	0.5
57.03438	2.1
59.01379	24.2
70.35799	0.5
70.83569	0.5
71.01375	5.2
73.02962	0.6
73.59671	0.5
75.00866	0.8
75.55325	0.5
78.06721	0.5
85.02934	1.4
87.00860	0.9
87.04500	9.2
89.02430	3.7
93.03452	1.2
94.06615	0.7
101.02441	4.0
111.04498	2.5
113.02440	3.3
119.05009	58.1
135.86736	0.6
137.02362	0.6
155.03470	3.3
157.08699	1.4
159.22461	0.6
161.04625	1.1
163.04001	100.0
168.04219	0.6
173.04544	3.4
175.09785	0.9
191.05618	9.3
230.81720	0.6
243.07672	1.2
277.12668	0.7
337.09470	12.6
337.10770	11.9
337.15097	14.5
337.19116	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93071	1.0
55.01879	1.0
57.03453	21.6
58.43705	0.9
59.01382	100.0
64.61378	0.9
71.01386	13.7
72.91987	1.4
72.99284	1.0
73.02946	2.0
74.71609	1.1
77.00852	1.2
82.45840	1.1
83.04985	1.5
85.02940	5.1
87.04519	1.5
89.02432	8.9
97.02922	1.4
99.04507	17.7
101.02441	17.0
105.29295	1.5
111.01939	1.3
113.02447	6.8
113.06081	1.4
113.99587	1.8
115.00373	1.1
119.03504	2.3
125.02486	2.7
127.07647	33.8
129.05574	42.1
133.05072	5.9
147.02956	1.2
157.04990	1.5
157.08659	1.3
161.04541	5.4
171.06657	6.1
174.01733	2.5
188.00008	1.5
189.07739	21.0
193.07190	16.2
197.90791	1.2
223.19453	1.1
235.08298	2.4
275.11313	1.3
277.09213	1.2
277.12720	1.4
337.07733	11.3
337.11392	70.0
337.15100	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	337.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17013	1.2
54.98527	1.2
57.03439	1.8
59.01382	76.7
71.01375	14.6
73.02949	2.0
75.00876	11.5
85.02937	16.9
87.00880	3.1
87.04506	78.0
87.05021	2.9
89.02431	13.3
95.01383	3.6
99.00890	7.4
101.02451	5.8
111.02010	1.7
113.02421	17.2
115.00373	2.5
117.01974	2.0
127.07642	9.7
129.01959	3.1
129.05574	14.6
129.18030	1.4
157.08699	1.8
174.01819	1.6
175.02467	1.7
179.05600	1.8
179.15955	1.3
189.07719	7.0
230.24959	1.5
337.07822	6.2
337.11469	100.0
337.15140	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	337.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.3
59.01381	24.8
71.01381	8.7
72.11725	0.8
72.99329	1.5
75.00866	13.2
83.01350	1.0
85.02950	14.5
85.77268	1.0
87.00883	6.3
87.04507	93.1
89.02439	5.1
94.02979	0.9
94.63946	0.8
95.01388	3.8
99.00871	8.2
101.02452	1.3
103.00383	1.2
113.02447	16.3
115.00369	1.3
117.01931	2.2
122.75967	0.8
129.01898	1.1
136.07674	1.2
137.30975	0.9
138.05571	1.0
157.08725	1.6
157.78304	0.9
161.77025	0.9
175.09749	2.1
249.06180	9.5
319.10217	1.4
337.11475	100.0
337.15189	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	337.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03444	0.4
59.01382	100.0
87.00868	0.4
89.52557	0.4
93.03442	3.8
111.04540	0.7
111.52997	0.4
119.05018	5.2
137.02486	0.5
144.47520	0.4
146.25786	0.4
155.03554	1.5
163.04024	4.3
173.04555	24.1
191.05618	5.6
337.09421	5.3
337.15015	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43165	0.6
59.01382	63.4
71.01376	23.9
72.99317	1.2
73.02956	1.3
74.28109	0.7
75.28435	0.8
83.01384	1.0
85.02930	4.9
89.02439	39.1
89.02961	1.8
92.23115	1.1
95.01379	1.0
101.02443	20.6
113.02441	16.4
116.92854	1.2
119.03500	12.5
126.91912	1.0
146.30655	0.8
157.08730	6.4
160.01616	0.9
165.48360	0.9
175.03986	1.6
179.05603	1.0
189.76550	1.0
217.05038	3.5
279.74637	0.9
337.08820	3.4
337.15076	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	337.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78748	1.7
55.20019	2.1
59.01369	14.7
59.10814	1.8
59.89870	2.0
71.05032	2.6
94.64922	2.1
95.01390	2.9
96.02177	12.2
96.96006	12.2
97.06580	3.0
97.66909	2.2
97.76891	1.9
106.04250	4.4
107.05015	2.5
125.06075	67.7
125.09711	25.5
135.08148	55.0
137.06075	40.6
161.06088	5.0
176.67882	2.2
228.71507	2.3
287.16681	8.9
290.15295	35.8
305.17636	8.7
319.19159	100.0
337.20261	81.3
343.99478	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	337.2058
Annotation	Idebenone
Peak:m/z	Relative Intensity
50.71803	0.3
52.85877	0.2
59.01377	0.7
60.86897	0.3
66.28813	0.3
71.29318	0.4
73.62022	0.3
76.94590	0.3
79.95744	2.2
92.22529	0.5
96.18962	0.3
96.96004	38.2
100.93029	0.3
117.09299	0.4
120.82072	0.4
122.10283	0.4
122.97565	1.6
146.83862	0.3
173.80460	0.3
181.30051	0.4
279.23553	0.4
302.40631	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	337.2057
Annotation	Idebenone
Peak:m/z	Relative Intensity
51.60488	0.3
70.66740	0.3
78.22461	0.3
79.34989	0.3
79.95743	2.0
83.36926	0.4
95.95268	0.4
96.96003	41.0
110.31081	0.4
118.88349	0.4
122.97572	1.9
307.41095	0.4
337.20581	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26242	0.4
54.19508	0.4
58.21362	0.4
59.01377	14.6
59.22118	0.4
64.41700	0.5
69.60043	0.5
76.86090	0.5
143.19189	0.5
146.87912	0.5
255.23309	100.0
270.56219	0.5
337.23633	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	337.2388
Annotation	5,6-DHET
Peak:m/z	Relative Intensity
54.29072	0.9
59.01382	100.0
81.38689	1.1
86.59307	1.1
87.15208	0.9
195.13977	2.5
197.34459	1.0
277.21738	79.2
295.22818	47.3
337.23834	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	338.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00201	0.4
59.01387	0.9
62.42853	0.4
66.84607	0.4
85.99473	0.4
98.97953	0.5
111.02018	0.8
112.02322	0.4
113.02516	0.4
130.08731	100.0
130.64322	0.4
338.08179	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84094	0.4
52.09702	0.5
52.57601	0.4
54.49110	0.4
57.96078	0.5
105.86349	0.6
145.02983	1.0
163.04036	1.1
253.08720	2.8
263.07355	4.9
263.09747	0.8
268.11206	4.1
280.07562	0.8
281.08203	16.9
291.06726	4.9
292.07278	1.2
293.08194	7.5
294.09088	2.9
296.10608	4.3
307.09811	0.8
308.10562	3.7
309.07727	100.0
323.09250	6.1
324.10068	31.4
339.12396	70.6
339.16611	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1238
Annotation	5-Deoxykievitone
Peak:m/z	Relative Intensity
57.83009	0.6
59.11562	0.6
60.38252	0.6
70.42088	0.7
111.79366	0.8
145.02972	1.6
209.80251	0.6
235.07646	1.4
237.09433	0.7
238.63148	0.8
253.08684	2.9
263.07071	3.9
268.11142	3.2
268.63672	0.8
281.08203	23.3
291.06641	5.2
292.07419	1.4
293.08182	8.3
294.09103	3.1
295.09564	0.9
296.10391	5.3
307.09723	1.4
308.10583	3.6
309.07715	100.0
323.09323	6.0
324.10052	29.5
339.12393	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	339.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41284	0.5
61.06541	0.5
145.02998	1.4
161.69984	0.6
235.07704	0.9
253.08781	2.7
263.07086	3.7
264.07846	1.5
265.08719	0.9
267.10040	0.7
268.10999	3.4
281.08261	20.4
291.06677	5.4
292.07462	1.2
293.08255	6.4
294.09012	3.5
295.09714	0.9
296.10406	4.4
307.09833	1.4
308.10632	3.4
309.07721	100.0
323.09341	7.5
324.10077	31.2
339.12405	72.4
339.16595	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	339.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93159	0.3
59.01363	0.4
62.25775	0.3
66.27612	0.5
67.70663	0.3
74.02448	0.4
108.02149	2.1
109.10201	0.4
115.54705	0.4
119.01630	0.4
121.05058	0.4
122.04475	0.5
123.04474	2.2
133.02943	0.4
145.02934	5.6
159.04378	0.6
160.05252	0.9
163.04050	0.6
171.10321	0.4
171.41594	0.3
172.81363	0.4
176.24243	0.4
187.04016	0.7
188.04823	0.8
203.07204	3.0
205.20972	0.4
221.05817	0.4
235.07626	2.1
237.09082	0.5
247.07637	0.6
253.08652	2.8
263.07178	4.7
264.08005	0.6
265.08734	0.6
268.11124	2.8
268.13614	0.4
275.07199	0.8
276.07822	0.8
280.07388	0.5
281.08221	22.4
291.06726	5.8
292.07413	2.2
293.08221	8.2
294.08929	1.8
295.09732	1.7
296.10617	5.3
306.08954	0.5
307.09677	1.7
308.10596	4.9
309.07715	100.0
323.09286	6.7
324.10056	33.6
339.12399	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	339.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07845	0.8
57.03455	1.0
59.01099	1.4
59.01381	25.4
59.38625	0.7
70.31919	0.8
71.01381	26.7
73.02947	14.9
75.00010	0.8
78.84937	0.7
83.01397	8.0
85.02953	10.8
87.00861	0.8
89.02445	12.5
97.02955	0.9
99.00868	6.4
101.01775	1.6
101.02442	44.9
112.91833	0.8
113.02435	14.4
114.73781	0.8
115.04018	1.2
117.05576	1.8
119.03459	1.7
125.02414	1.4
129.01921	0.9
131.03477	1.0
159.03021	1.9
161.04572	10.8
184.46410	1.0
204.20764	0.9
207.08762	51.9
207.10733	1.7
209.86313	0.9
274.55786	1.1
339.12991	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	339.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35132	0.6
59.01387	1.3
61.19862	0.8
71.04911	0.7
71.10255	0.9
73.02944	100.0
88.32461	0.9
97.06591	1.0
125.09705	17.0
187.09789	16.7
221.15479	89.3
250.62573	1.0
265.14487	9.8
326.18454	0.9
339.18011	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	339.2178
Annotation	3alpha-Hydroxy-3,5-dihydromonacolin L acid
Peak:m/z	Relative Intensity
51.35661	1.5
58.47253	1.8
67.38384	1.9
72.64446	1.7
81.01004	1.9
85.85197	2.3
86.63358	2.1
101.06065	3.1
118.13647	1.8
122.16486	1.8
132.52542	1.8
139.11256	3.0
145.50133	1.9
155.10768	12.0
164.97203	2.2
171.18562	2.0
178.10077	7.8
190.71492	2.4
235.13448	18.7
237.14970	100.0
253.14438	9.0
257.65054	2.2
303.19772	2.7
317.29770	2.2
321.20752	81.6
339.21692	19.0
339.32663	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	339.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02982	8.8
59.01362	0.4
59.06480	0.4
59.07638	0.4
70.02962	2.2
88.62627	0.5
93.60050	0.4
97.06583	0.7
106.43667	0.4
108.02161	1.1
123.04536	1.9
125.09705	2.2
129.88876	0.5
138.14667	0.4
203.07190	2.3
206.19183	0.5
216.45802	0.5
224.20245	4.3
235.20747	0.7
236.20239	3.2
260.20163	0.9
261.18677	0.6
277.22864	10.7
278.21286	7.7
280.97934	0.5
318.27002	0.5
321.21902	0.6
322.20300	2.3
339.22913	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2332
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
97.45129	0.3
163.11292	100.0
174.51636	0.4
186.30197	0.3
191.05174	0.3
211.06177	0.3
223.96577	0.4
302.43359	0.3
339.23322	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	339.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44880	1.1
56.03107	1.0
58.19511	1.0
59.01383	14.4
70.87125	1.0
74.56892	1.1
79.30701	0.9
80.67718	1.3
83.04971	1.1
83.86722	1.1
96.22340	1.1
97.06551	6.5
102.00607	1.1
111.08121	2.6
127.11190	2.2
158.77454	1.1
163.11320	16.2
165.12831	38.9
176.12080	1.4
177.12854	1.2
209.11713	1.7
225.22214	8.0
271.22818	8.8
279.23254	11.7
282.16064	5.7
283.16968	2.4
295.26233	5.0
297.24210	5.0
339.23141	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97295	0.4
55.11927	0.4
56.19414	0.4
57.03452	5.0
59.01368	2.6
68.00983	0.4
69.03452	2.7
71.04990	0.5
85.22209	0.4
91.93302	0.5
95.04981	0.6
98.55956	0.5
111.08146	13.4
116.92844	1.0
121.62876	0.4
125.39074	0.5
153.09230	0.6
161.39369	0.4
163.11279	1.0
165.12837	100.0
181.12328	4.2
184.95639	0.4
191.10811	4.4
209.11855	10.4
222.95164	0.5
227.12927	4.8
279.23383	0.7
297.24445	0.5
339.12943	0.8
339.19992	2.6
339.25510	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	340.213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26287	0.5
57.30284	0.5
77.19828	0.5
108.98900	0.5
130.08733	100.0
157.91090	0.6
165.12843	5.7
171.74414	0.6
209.11980	0.8
278.21216	2.6
322.20316	1.1
340.21323	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	340.2856
Annotation	N-acetylsphingosine
Peak:m/z	Relative Intensity
53.52264	4.3
53.64366	5.5
55.82254	4.3
58.80267	4.6
66.66245	4.8
71.60146	4.5
101.49612	5.6
102.05607	70.3
119.33131	5.2
121.29475	5.7
149.34749	5.0
189.48901	5.2
254.24983	7.9
257.36487	5.5
271.17645	5.5
296.29605	37.0
340.20181	8.2
340.28616	100.0
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	Unknow
Peak:m/z	Relative Intensity
55.33760	0.4
57.03447	0.8
57.47309	0.3
59.01383	8.4
59.07475	0.4
62.08092	0.3
66.86093	0.3
70.49348	0.3
71.01379	5.5
73.02928	0.6
75.00866	4.4
85.02956	8.1
87.00873	2.7
89.02434	9.1
93.03459	0.5
97.02937	0.4
99.00861	0.6
101.02448	4.3
105.76639	0.4
107.05043	0.6
113.02439	3.2
119.03526	2.7
119.05016	53.8
129.01956	2.4
134.03775	0.6
135.04527	24.6
145.02991	0.5
149.04601	1.1
161.08144	0.4
163.04016	100.0
177.04083	6.2
179.03532	1.5
179.05659	2.2
193.04074	0.4
195.05110	4.3
211.32874	0.3
246.65996	0.3
341.08829	7.2
341.11139	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	341.0879
Annotation	Caffeic acid 3-glucoside
Peak:m/z	Relative Intensity
57.03443	2.2
59.01370	8.1
68.21666	1.2
71.01378	17.8
72.99304	1.7
75.00871	23.0
78.50600	1.1
85.02938	6.5
87.00854	8.4
89.02488	1.4
91.23611	1.2
92.22400	1.3
99.00858	25.1
113.77900	1.1
119.05001	28.1
129.01929	30.5
131.03514	2.0
141.01956	1.2
145.02919	4.6
159.02966	2.5
161.06090	2.9
163.03995	53.9
165.63077	1.1
177.04015	15.4
195.05093	69.7
205.05086	2.8
213.72357	1.2
223.53873	1.4
277.47070	1.3
327.52902	1.3
341.08795	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	341.088
Annotation	Caffeic acid 3-glucoside
Peak:m/z	Relative Intensity
57.03443	1.1
59.01378	9.7
71.01376	13.5
75.00866	24.0
85.02934	8.5
87.00857	11.7
89.02430	5.2
94.01205	1.2
99.00871	16.9
101.02449	1.3
119.05011	23.6
122.83598	1.2
129.01929	23.5
143.93738	1.1
145.02954	7.1
151.20251	1.0
159.02969	5.9
161.06058	5.3
163.04010	36.8
177.04047	36.4
178.37111	1.2
195.05112	85.5
205.05086	1.5
341.08795	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	341.109
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
57.19916	1.4
59.01383	86.0
63.51344	1.5
65.63499	1.4
71.01379	50.3
73.02953	3.5
75.00888	1.6
76.73722	1.4
85.02951	10.4
87.00886	6.8
89.01875	3.3
89.02436	99.2
95.01387	2.3
99.00868	1.6
100.39072	1.6
101.02438	41.0
113.02442	22.7
113.03600	3.2
119.03501	32.9
119.04975	14.1
128.75908	1.6
131.03564	3.6
131.04646	10.9
143.03471	5.9
149.04588	6.7
161.04610	9.1
163.03998	29.5
179.05637	30.8
186.09204	1.6
194.77061	2.0
267.72705	1.7
281.12393	3.4
341.10983	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01101	5.0
59.01383	100.0
71.01379	50.8
71.43310	3.0
73.02945	79.4
74.53422	2.7
75.00858	4.7
77.79855	3.2
83.01376	16.3
85.02930	4.7
89.02442	26.7
101.02439	61.2
113.02460	17.8
119.03507	5.3
119.05002	20.8
131.03491	3.2
134.03748	15.2
137.02461	26.2
146.05042	2.7
149.02435	4.2
149.04491	2.8
161.04550	7.2
163.04034	5.7
165.04041	12.7
179.05663	6.7
193.05057	7.0
195.05142	6.7
269.85886	3.1
341.11850	29.3
341.20865	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	341.1719
Annotation	TMC-86A
Peak:m/z	Relative Intensity
52.70388	0.7
56.44624	0.8
58.02971	13.5
70.02975	18.3
71.02493	1.0
87.05612	2.4
96.00912	32.5
96.99239	0.9
108.38324	0.9
110.26479	0.9
110.35374	0.9
112.68443	1.0
113.03562	15.5
114.01955	28.7
128.78508	1.1
131.04630	26.7
138.61586	1.1
152.73944	1.3
165.12830	4.4
182.15494	35.6
208.17047	4.9
212.98451	1.1
225.16083	4.4
226.14488	14.2
279.17169	12.2
323.16022	11.3
341.17200	100.0
346.12589	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	341.197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66114	0.7
52.55581	0.7
54.68003	0.7
56.66661	0.9
57.03461	1.0
59.01377	2.2
68.62442	0.9
75.00867	0.8
83.74210	0.8
97.06561	5.0
101.74682	1.0
115.07624	2.1
125.09715	100.0
127.06693	1.9
127.07647	52.4
134.06122	1.8
143.10767	1.5
143.29103	1.0
147.00223	0.8
163.04099	1.1
169.08755	1.5
169.12325	38.1
171.10283	1.7
181.12311	1.2
187.09767	99.8
194.08095	1.0
195.05133	2.2
213.11304	3.9
215.62035	0.8
231.12437	3.8
255.20311	0.9
261.46298	1.0
288.09546	1.0
340.52716	1.1
341.08765	3.8
341.15320	1.6
341.19650	9.0
341.23267	1.5
341.26917	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	341.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.7
83.48474	0.7
96.26459	0.6
97.97571	0.7
125.09686	4.2
129.01924	0.8
133.12930	0.6
137.09732	7.6
141.09259	1.4
155.10773	100.0
159.10284	6.1
163.03937	0.7
169.12358	1.7
171.10245	0.9
181.08757	1.2
187.09801	4.9
195.05168	1.3
199.09769	53.3
341.08640	1.5
341.19626	11.2
341.23419	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	341.1971
Annotation	2,3-Dkpgf1alpha
Peak:m/z	Relative Intensity
55.01869	0.9
57.03429	1.5
59.01377	1.5
71.01382	1.0
71.05021	1.4
80.02675	1.4
81.03454	3.4
83.01387	1.7
83.05013	10.3
84.02184	8.7
85.06577	5.4
87.04500	1.2
89.02391	1.1
93.03429	1.3
95.05025	25.4
97.06564	1.6
109.06603	8.9
111.04486	1.4
112.82719	0.9
113.06089	27.9
123.08112	1.2
125.06071	2.1
125.09715	5.8
135.08176	1.5
137.06081	1.2
137.09793	1.7
149.09717	1.1
163.11298	6.0
165.12822	5.0
169.93376	0.9
171.10281	5.2
181.12402	1.6
183.41522	1.0
185.11867	8.6
191.10811	2.1
191.14413	7.2
197.11833	4.3
201.11314	3.6
203.14465	1.6
208.98030	0.9
209.11850	100.0
211.13440	1.8
213.11327	1.7
217.12396	2.1
223.13493	3.5
224.20557	0.9
227.12901	13.5
235.13419	22.1
239.12779	1.6
243.17451	1.0
247.13440	2.0
249.15024	1.5
251.13042	2.0
253.14439	5.4
265.14499	6.1
287.16821	1.1
295.71918	0.9
299.25745	1.0
305.17532	9.7
315.86526	1.0
323.18750	11.7
341.19748	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	341.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19997	0.5
57.03424	0.6
59.01386	0.6
59.45319	0.5
69.03441	0.9
71.58543	0.6
83.05013	0.9
84.02161	7.2
84.24740	0.6
90.27002	0.6
97.02930	1.2
97.06582	9.6
99.04489	3.0
124.02850	0.7
165.12888	1.2
171.10255	14.2
183.13925	4.5
186.89491	0.7
193.12331	18.6
197.15538	0.8
211.13429	3.8
221.11755	0.9
225.14975	21.2
232.00934	0.7
243.16064	7.1
271.24924	0.7
272.37698	0.8
291.19745	1.0
341.23343	100.0
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
56.92227	0.6
59.01378	0.6
65.09290	0.6
84.02162	18.2
84.69863	0.6
85.64050	0.6
85.95082	0.6
87.04471	0.6
90.07884	0.6
97.02936	6.6
97.06539	0.8
99.04507	6.4
106.38686	0.5
119.08629	3.1
125.09724	0.7
126.03217	2.3
127.11256	1.0
129.12645	0.6
135.08165	1.3
137.09729	2.6
138.47192	0.6
153.09215	0.6
171.10271	66.6
199.13457	3.7
213.13281	0.8
215.87189	0.8
215.89211	0.9
225.14987	1.0
278.53345	0.6
337.97467	0.7
341.18320	6.4
341.23349	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57266	0.4
51.31538	0.5
59.30899	0.5
62.00762	0.5
75.00870	100.0
100.21284	0.5
104.97974	0.5
138.70749	0.5
147.62915	0.6
157.44910	0.6
172.72777	0.5
283.26459	49.8
289.18515	0.6
320.50360	0.6
341.27008	25.9
341.30945	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.3
58.74400	0.3
61.83650	0.3
66.00045	0.3
85.02946	10.7
99.43729	0.3
103.04008	50.7
117.35352	0.4
154.68286	0.4
175.94748	0.4
213.22255	0.4
240.78848	0.4
255.23314	100.0
268.72479	0.5
341.27011	12.3
348.47763	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	341.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49903	1.3
54.06495	1.2
64.84190	1.4
69.88924	1.4
102.54214	1.7
109.16983	1.7
117.59398	1.5
125.30275	1.6
126.74618	2.1
142.53485	1.9
157.45090	1.4
158.26302	1.6
276.27158	1.7
293.28424	2.6
295.30084	87.4
316.28351	1.7
323.29413	2.1
339.58466	1.9
341.30640	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3064
Annotation	1-O-Octadec-9-enyl glycerol
Peak:m/z	Relative Intensity
52.77582	0.5
54.02448	0.4
54.99218	0.5
61.11568	0.4
71.05017	20.2
130.88998	0.6
134.61716	0.5
172.51474	0.6
227.20213	0.8
227.99326	0.6
234.60945	0.7
267.27005	5.1
278.20212	0.5
281.28522	42.7
323.26678	0.6
323.29593	20.6
341.30643	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02976	4.4
60.33928	0.8
66.59470	0.9
84.22303	0.9
90.28884	0.9
113.09721	1.3
139.11279	9.3
143.10777	100.0
154.12346	7.8
157.12338	19.4
159.10278	9.1
170.11842	17.5
171.10223	1.9
171.13913	7.0
183.10251	4.7
198.11398	18.9
200.12950	31.6
216.12419	73.6
251.97937	1.0
324.22830	2.0
342.22928	60.5
342.26224	2.3
353.05588	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00462	0.6
58.02975	3.7
62.48554	0.5
63.75029	0.5
84.43285	0.6
123.08066	0.8
125.09710	28.9
127.11291	4.3
140.10837	4.9
141.09221	1.5
142.12381	2.6
155.10858	1.0
156.10318	7.5
157.12331	62.3
169.08693	0.9
171.13919	15.0
173.11832	23.5
184.09773	13.5
186.11360	100.0
193.49127	0.7
202.10855	44.5
342.22891	51.7
342.26566	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	343.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33087	0.4
59.01377	3.2
60.71219	0.4
71.98570	0.4
87.26662	0.5
97.24892	0.5
119.05016	1.9
121.02895	0.7
124.01656	29.2
133.21516	0.5
135.04590	0.7
137.05130	0.6
137.06093	8.9
138.03229	0.8
139.04008	100.0
181.05072	31.4
181.06364	0.6
182.02202	0.6
197.04536	1.2
203.39435	0.5
209.87981	0.5
296.53000	0.5
307.14026	0.7
343.10327	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	343.14
Annotation	Unknow
Peak:m/z	Relative Intensity
64.66906	0.6
68.98975	0.6
71.01363	7.9
112.27262	0.7
115.00365	11.0
133.01436	6.8
165.12845	19.5
183.13902	100.0
209.11836	1.5
227.12904	71.7
273.34750	0.7
343.13995	4.5
343.21271	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	343.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13477	0.3
52.43842	0.3
55.97023	0.3
59.01383	100.0
71.01388	2.7
73.01486	0.4
73.02939	0.5
85.02958	0.9
89.02415	0.4
91.79123	0.4
92.22492	0.5
101.02422	3.7
113.02475	1.0
133.88708	0.4
161.04538	1.9
170.33710	0.4
173.49423	0.4
181.05070	1.8
197.25908	0.4
201.99562	0.4
202.52118	0.4
283.11884	7.9
343.14233	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	343.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02963	1.8
59.01371	1.7
67.02993	6.4
71.01379	1.4
81.04559	4.7
83.05031	2.6
86.02462	1.3
89.02431	1.3
92.05056	1.8
94.04112	17.1
96.00903	6.7
96.05647	5.5
98.86871	1.3
99.00860	7.7
99.08152	1.6
110.06095	13.2
111.00828	1.4
112.05170	11.2
113.03593	4.7
118.05086	5.6
122.03613	2.1
124.05142	3.1
129.09209	6.7
136.04005	6.9
142.06218	9.3
171.10255	20.7
210.14932	2.1
223.40709	1.3
226.15628	2.5
228.16051	26.3
238.18123	14.5
242.15114	67.1
256.16577	2.4
256.19208	73.3
257.63025	1.4
264.15906	2.8
282.17038	8.6
299.19766	47.1
308.15100	6.1
325.34332	1.3
343.18991	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2127
Annotation	ascr#19
Peak:m/z	Relative Intensity
50.13610	0.5
53.20220	0.5
57.03438	3.5
59.41248	0.5
71.05018	2.6
72.78325	0.6
73.04667	0.5
83.05031	1.5
84.02173	3.4
85.02947	3.0
85.06560	1.0
85.49360	0.6
87.04517	2.5
90.22507	0.6
95.05029	7.8
97.06566	1.0
99.48043	0.6
104.04986	0.7
113.06055	3.6
120.06679	0.7
125.09689	1.5
127.11262	1.0
135.08142	0.9
155.14314	0.8
165.12900	0.8
167.14442	1.2
171.10286	15.1
183.13924	3.3
185.11868	2.3
193.12405	1.4
199.13429	0.7
202.56908	0.6
209.11861	4.4
211.13396	21.4
221.11871	1.1
229.14468	25.9
237.14993	10.7
239.12959	1.0
249.14894	3.3
267.15930	1.2
289.18219	1.5
309.14664	0.8
325.20215	4.9
343.21268	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	343.2492
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
67.81499	0.6
92.44428	0.7
121.10237	10.1
125.47726	0.7
127.11223	2.7
133.41551	0.7
137.09735	2.8
139.11296	3.1
171.10277	85.8
211.13351	1.0
219.39925	0.7
225.14781	0.7
293.21295	1.0
335.18304	0.8
343.24936	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	343.2492
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
51.64334	0.9
57.97842	0.8
62.02227	1.0
97.00520	0.9
99.08168	8.1
121.10240	1.9
125.09669	1.3
138.60776	1.1
141.99739	0.9
143.45300	1.0
171.10278	35.9
181.43083	1.1
189.50150	1.0
193.12354	19.1
211.13440	2.3
225.14980	25.7
243.15985	6.6
253.51418	1.2
293.21432	2.0
343.24936	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	343.2492
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
52.56307	0.4
59.01379	1.1
67.30523	0.5
69.03461	1.1
80.28725	0.5
83.04972	0.6
92.22396	0.6
97.06568	0.7
99.08156	8.8
103.85642	0.5
112.88074	0.5
114.31945	0.5
115.07629	2.5
116.07991	0.6
121.10251	2.1
125.09673	1.9
136.42731	0.5
139.11305	0.7
143.34993	0.5
171.10271	27.5
175.11217	0.7
176.00615	0.5
193.12343	19.0
194.59082	0.5
211.13342	4.4
225.14969	26.4
243.16003	7.5
274.82404	0.5
293.21231	3.9
343.24933	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.9949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22293	1.0
53.24527	0.9
59.01380	40.7
61.98828	2.0
68.72375	1.1
71.01380	16.2
78.95933	1.3
83.03754	1.2
85.02953	2.3
87.00858	1.6
87.92519	6.8
89.02446	24.9
89.51120	1.1
95.01385	1.7
100.33956	1.1
101.02434	17.3
103.92036	19.5
104.92802	18.3
111.01995	1.4
113.02447	8.8
113.92880	1.4
119.03497	7.5
120.04543	16.1
122.06120	1.7
130.08737	4.1
131.24835	1.2
133.01537	6.9
134.04749	2.1
136.04066	2.1
138.05597	32.7
142.96762	1.6
150.04227	25.4
156.98318	2.6
158.96219	11.5
164.03548	44.7
168.98409	1.4
168.99841	2.1
171.97046	1.4
180.06673	2.2
183.99377	4.5
190.10115	1.2
190.98846	1.7
203.96024	8.3
212.02577	14.2
212.06696	1.8
216.74617	1.2
226.97650	15.1
227.98433	13.0
240.07262	5.2
245.99446	19.6
256.01550	25.4
274.02530	1.5
300.00565	29.0
300.11020	7.4
338.71838	1.3
341.47943	1.3
343.99557	100.0
344.03314	4.5
344.09912	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	344.0059
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64309	2.2
60.52895	2.2
61.77746	2.3
62.72517	2.2
66.77306	2.2
89.27555	2.4
102.92370	3.1
103.92014	6.3
104.92789	6.1
120.42645	2.7
126.02402	3.2
133.01437	4.3
134.01842	3.6
154.97887	3.6
156.30446	2.7
158.96175	4.0
158.97331	10.8
169.98651	6.0
174.39995	3.3
176.98363	5.3
202.96384	5.1
226.97589	3.4
227.98555	3.5
228.03098	20.1
230.00800	4.0
254.01070	67.0
256.01630	11.7
286.00223	23.4
300.00534	12.7
325.99576	15.3
344.00430	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95920	1.2
96.96001	0.6
96.96943	0.4
107.03601	2.0
108.02054	1.5
126.03103	0.6
133.01564	23.4
150.04214	100.0
155.93642	0.3
160.97502	0.3
216.05351	0.3
236.29723	0.3
245.80330	0.3
343.99725	1.0
344.04022	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	344.0402
Annotation	Guanosine-3',5'-cyclic monophosphate
Peak:m/z	Relative Intensity
78.95920	1.2
96.96001	0.6
96.96943	0.4
107.03601	2.0
108.02054	1.5
126.03103	0.6
133.01564	23.4
150.04214	100.0
155.93642	0.3
160.97502	0.3
216.05351	0.3
236.29723	0.3
245.80330	0.3
343.99725	1.0
344.04022	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	344.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09715	0.4
59.01387	0.6
60.47071	0.3
69.25975	0.4
71.01395	0.5
71.84584	0.4
78.95907	1.8
81.42024	0.4
85.17143	0.3
87.92525	0.5
89.02448	0.9
96.95997	0.8
96.96951	5.5
103.92007	0.7
104.92807	0.9
107.03629	1.8
108.02017	0.9
126.03074	0.8
133.01564	27.4
134.29933	0.4
134.66490	0.4
150.04213	100.0
174.56134	0.4
217.40855	0.4
226.97626	0.5
227.98428	0.4
256.01456	0.6
268.00241	0.4
300.00491	1.9
313.74878	0.4
343.99515	4.4
344.03964	22.8
344.11169	0.9
344.18219	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	344.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	15.7
62.27357	0.6
71.01373	11.5
72.00896	6.1
85.02927	1.2
87.92507	0.9
88.04042	1.1
89.02435	13.6
89.56570	0.7
99.58018	0.7
101.02446	4.4
103.92033	1.5
104.92822	1.0
113.02425	4.4
115.00368	2.5
119.03490	3.9
122.69946	0.7
147.04514	36.9
149.17300	0.7
158.96227	0.7
161.04518	1.0
163.04027	0.8
164.07173	100.0
179.05602	8.0
203.95990	1.0
211.14603	0.7
226.97710	2.6
227.98421	1.6
228.17076	4.9
245.99240	1.4
256.01492	1.0
271.97565	0.7
300.00488	3.1
343.99518	11.6
344.18134	6.1
361.58109	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78585	1.0
58.02981	10.6
59.01357	1.2
64.84952	1.1
66.14680	1.0
70.07102	1.1
72.00900	1.7
79.89499	1.0
84.04506	1.1
84.69636	0.9
87.05660	1.6
94.41975	1.1
99.05647	4.7
101.07187	2.5
104.23795	1.0
110.02472	32.0
125.26054	1.1
127.05139	1.9
129.06734	2.2
130.05081	1.1
130.08728	69.1
143.08287	1.3
143.11905	15.9
150.04228	4.5
169.06190	13.5
169.09811	1.7
187.10883	6.8
210.37137	1.1
212.02412	1.2
214.15627	100.0
256.16693	4.2
284.08255	1.3
300.15665	81.5
344.18237	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	344.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02982	8.8
59.15698	0.6
82.06624	0.9
84.00887	1.1
84.04541	1.4
87.05630	1.0
93.03416	1.0
99.05649	2.0
101.07207	3.4
110.02480	24.0
111.07848	0.8
112.04075	1.0
118.05118	0.9
127.05119	3.6
129.06738	3.8
130.08737	68.9
132.03044	0.9
143.08232	1.7
143.11902	14.7
150.04222	3.2
169.06189	15.4
169.09853	3.1
187.10834	5.9
199.14528	0.9
214.15631	100.0
256.16730	2.0
300.15680	79.0
302.93359	1.1
344.18213	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	345.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09839	1.1
56.30422	1.1
60.82874	1.4
93.02822	1.3
94.02975	1.7
136.07689	13.4
152.81969	1.2
153.09276	1.7
154.60707	1.3
162.05576	1.5
184.06425	2.2
199.05048	1.4
200.05856	5.5
201.10390	3.1
202.08662	1.9
204.00357	1.5
208.45456	1.3
211.08716	1.6
213.10327	3.3
214.07440	5.4
221.16150	1.5
228.05348	14.6
229.09840	54.3
239.08257	47.9
240.05406	6.7
240.09056	1.9
242.07118	1.5
252.91565	1.6
255.07768	100.0
256.08533	22.4
257.06625	3.1
257.09332	94.6
283.07275	46.3
301.08319	77.8
311.44489	1.7
345.07333	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	345.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58633	0.7
55.69864	0.7
58.73128	1.0
59.01374	5.9
66.69992	0.9
68.69090	0.7
71.05014	2.1
71.71024	0.7
74.02481	1.6
78.98023	0.8
83.01368	1.3
84.04507	0.8
88.04028	1.6
90.38694	0.9
93.03445	1.9
95.05014	1.4
97.02932	6.4
108.93828	0.8
118.91770	0.9
123.04476	1.4
124.94151	1.0
127.05115	4.7
128.03537	1.5
129.10336	4.3
137.02444	12.4
138.03275	1.1
139.04013	100.0
145.06189	3.9
163.04039	1.5
166.99875	1.9
169.09796	0.9
180.95335	0.9
183.02988	1.9
186.12509	1.2
196.14455	1.3
214.15666	1.1
235.75217	1.0
253.16719	1.0
271.17511	1.2
273.50754	1.0
301.15115	3.6
306.94250	4.0
308.94238	1.2
309.11450	1.2
315.16852	1.3
344.99673	3.7
345.08246	24.9
345.11957	2.3
345.17685	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	345.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	76.1
65.03944	4.9
65.52720	2.2
67.87447	2.2
71.01373	43.4
74.02472	22.2
75.70407	2.2
80.02670	16.4
84.91924	2.4
85.02940	14.9
88.04034	3.0
89.02439	36.7
93.07107	3.2
96.00919	3.3
101.02421	20.8
103.05533	62.7
106.04228	55.3
113.02438	16.7
113.03574	3.3
119.03456	14.5
119.04988	14.3
121.06582	100.0
124.01636	3.4
124.03961	3.6
130.08734	6.2
139.04016	10.3
141.01953	9.9
143.11885	11.2
165.04248	3.7
165.05571	85.2
168.00575	4.2
169.09839	3.0
178.68314	2.8
179.11951	3.3
183.02997	43.2
184.07391	3.4
187.10847	11.1
229.17578	4.9
240.37518	3.1
244.03952	3.3
267.09833	3.4
273.10336	3.0
298.99194	2.7
301.15237	26.1
344.99759	3.2
345.08612	10.0
345.12100	63.8
345.17923	68.3
357.62799	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	345.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68842	0.6
58.83211	0.5
68.66990	0.6
70.87450	0.6
73.63152	0.6
75.00875	2.9
76.69170	0.6
77.89287	0.6
87.19601	0.6
89.02445	0.7
100.59544	0.7
112.87297	0.6
135.02995	26.3
165.12848	23.6
183.13904	100.0
196.53716	0.7
209.05545	0.7
209.11783	1.4
227.12897	38.6
300.97986	0.8
301.68036	0.8
303.53818	0.7
345.15576	39.2
345.22687	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	345.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01813	0.4
59.01368	0.6
70.54990	0.4
75.00859	2.2
79.59246	0.4
79.59961	0.4
92.22530	0.5
104.60027	0.4
110.21697	0.6
111.08153	0.6
135.02994	10.8
165.12825	20.4
177.22441	0.4
183.13896	100.0
197.84383	0.4
209.11783	2.0
227.12895	31.4
236.47263	0.4
345.15555	40.3
345.22415	1.1
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	Unknow
Peak:m/z	Relative Intensity
50.19938	0.5
57.03434	0.8
59.01383	63.7
63.76767	0.5
71.01375	29.6
71.59557	0.6
72.46076	0.6
73.02958	1.1
83.01389	2.7
85.02950	5.9
87.00871	0.9
89.02440	32.7
95.01389	2.9
96.64194	0.7
101.02441	19.0
113.02446	13.0
119.03490	10.8
121.10223	24.2
131.03491	0.8
139.11311	0.9
143.03442	1.0
161.04628	1.0
165.09177	4.9
179.05699	1.3
183.10326	3.5
233.99358	0.8
281.21393	0.7
345.15564	100.0
347.32813	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43687	0.4
57.03450	0.5
57.33086	0.4
59.01374	3.9
62.85021	0.3
67.01888	0.8
71.01382	4.4
79.59113	0.5
81.03445	0.5
83.05048	0.7
85.02943	3.0
87.00908	0.6
88.65273	0.5
89.02420	0.5
93.03453	19.2
95.01380	0.6
99.00894	0.6
99.04510	0.5
101.02433	0.7
104.73241	0.4
109.02940	2.2
111.04515	7.1
118.05108	0.8
127.04016	4.4
137.02504	3.5
155.03500	1.1
159.04089	1.8
171.10274	63.4
173.04558	15.6
210.14301	0.5
327.14542	1.2
345.15576	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04096	3.5
100.04272	3.6
171.10271	24.2
233.38075	4.5
291.65179	4.3
309.20737	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	345.184
Annotation	Unknow
Peak:m/z	Relative Intensity
63.84062	17.2
73.89459	16.1
73.90402	18.9
87.09122	14.2
92.22535	18.5
127.72366	17.7
171.10286	23.8
245.44746	22.3
262.21915	18.4
309.15302	87.9
309.20807	37.4
345.12930	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44529	0.9
67.03008	2.2
71.01408	1.0
74.03594	4.4
80.02573	1.6
81.04586	1.9
94.04106	14.6
96.05676	2.3
99.00864	4.9
99.08132	1.8
99.28027	0.9
106.64608	1.0
112.05171	1.9
113.09710	4.5
117.40314	1.0
118.05103	4.1
131.09071	1.2
162.98087	1.0
177.08623	1.0
196.14610	4.1
212.14069	100.0
244.16728	13.6
276.38901	1.3
310.14856	1.9
327.17188	2.0
345.21622	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	345.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69234	0.6
59.01329	0.6
67.03027	2.3
69.04573	0.7
74.03593	3.3
78.92038	0.6
79.03028	2.9
80.34132	0.6
81.04564	5.6
94.04099	17.2
96.05669	2.8
99.00867	7.4
99.08147	2.7
99.44636	0.6
99.52071	0.6
112.05157	4.0
113.09711	3.0
118.05099	4.0
194.13017	1.0
196.14566	4.7
198.99425	0.6
212.14063	100.0
244.16713	14.2
329.89612	0.7
345.15677	2.2
345.21527	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	345.2283
Annotation	oscr#20
Peak:m/z	Relative Intensity
53.51940	0.4
59.01384	1.1
60.22790	0.5
63.05491	0.5
66.50175	0.5
84.02150	0.8
95.41087	0.6
99.08145	1.2
102.63085	0.6
113.09725	1.2
117.03996	0.6
127.11267	1.2
128.97868	0.5
129.09184	3.2
141.09233	5.3
154.06865	0.6
155.10776	0.9
157.30359	0.7
169.12300	1.0
171.10271	18.9
185.11835	18.1
197.11868	15.0
201.11310	6.6
209.11864	0.8
213.11285	2.4
215.12833	0.9
227.12784	1.0
247.20786	0.8
251.49336	0.6
291.19727	1.0
302.95184	0.6
304.97403	0.6
327.21753	5.7
345.22845	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	345.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38645	0.7
71.00152	0.8
87.04507	9.2
92.22427	1.5
97.69543	0.8
107.08658	5.6
112.89683	0.7
125.09716	4.7
127.11257	3.4
131.78929	0.8
137.09789	1.5
155.10777	1.5
165.09248	1.9
165.10655	0.9
171.10274	12.9
183.10254	0.9
199.09775	2.0
201.11328	63.0
221.15494	11.5
229.99736	1.2
239.16512	6.0
251.16653	1.3
255.16003	1.3
257.07654	0.9
257.17606	16.9
291.19858	2.0
327.21875	1.2
345.22836	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	345.2283
Annotation	oscr#20
Peak:m/z	Relative Intensity
52.90290	0.6
57.03444	3.1
59.01382	1.0
59.03034	0.6
65.55078	0.6
68.80504	0.7
71.01355	0.8
73.02952	4.0
76.43968	0.8
83.01389	0.8
91.47667	0.8
95.43175	0.7
97.20508	0.7
99.08149	1.7
107.08639	0.8
108.01277	0.7
125.09701	4.4
127.11214	1.0
134.33524	0.8
135.02997	1.4
139.11293	1.4
148.13733	0.8
165.09264	1.4
165.12859	4.8
171.10255	1.2
181.12318	7.1
183.13890	15.8
197.11813	1.7
199.13388	1.9
201.11336	38.0
209.11816	1.3
210.01236	0.8
211.13319	1.9
213.21179	0.7
215.12898	5.3
221.11859	1.2
227.12927	7.3
229.14584	1.0
285.20847	1.2
291.19568	1.3
327.21802	4.3
345.15643	8.9
345.22830	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.28
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12433	0.6
112.58752	0.8
345.28009	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	346.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86618	16.8
53.92996	18.9
56.34912	16.8
61.61462	17.9
64.08509	19.2
92.22861	25.0
94.62114	18.8
100.18489	20.7
116.82878	18.7
161.00266	23.0
203.52022	20.5
234.83755	22.0
247.14456	19.3
266.54837	21.5
328.15317	21.8
346.25845	100.0
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
52.91568	17.3
69.65678	18.7
79.81233	18.5
97.81641	21.0
184.14304	21.5
234.64674	20.9
346.25830	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0752
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37989	2.6
59.01373	12.2
65.07224	2.3
71.01388	6.4
73.33332	2.5
77.00291	2.3
78.95897	3.3
89.02426	12.9
100.11536	2.8
101.02461	3.3
111.00861	5.2
124.69383	2.7
131.03491	2.6
133.01443	2.9
149.04550	11.2
191.01930	2.9
191.05621	3.0
201.52266	2.6
233.06641	4.5
257.00745	18.8
311.10211	3.4
328.99255	5.9
347.00671	25.3
347.07529	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21172	1.4
58.33600	1.5
59.01376	10.1
61.09917	2.1
64.55241	1.5
66.62286	1.8
70.17986	1.6
71.01367	8.7
78.17595	1.6
78.95922	1.8
85.02989	1.6
85.12581	1.7
89.02433	15.9
92.15343	1.9
94.73618	1.8
99.00824	2.5
101.02439	7.2
131.03505	3.7
131.04498	2.5
133.01431	6.6
149.04518	14.2
150.13611	1.9
183.99135	1.8
191.05600	2.3
221.06549	2.1
274.88187	2.2
294.48764	1.7
311.09894	2.5
343.73880	2.0
347.07489	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0752
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37989	2.6
59.01373	12.2
65.07224	2.3
71.01388	6.4
73.33332	2.5
77.00291	2.3
78.95897	3.3
89.02426	12.9
100.11536	2.8
101.02461	3.3
111.00861	5.2
124.69383	2.7
131.03491	2.6
133.01443	2.9
149.04550	11.2
191.01930	2.9
191.05621	3.0
201.52266	2.6
233.06641	4.5
257.00745	18.8
311.10211	3.4
328.99255	5.9
347.00671	25.3
347.07529	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
61.32048	0.6
66.53146	0.5
83.02523	0.9
97.20392	0.6
110.02469	1.4
110.38378	0.7
112.35298	0.8
118.02982	8.1
122.06095	5.6
128.41139	0.6
130.08722	3.4
138.09322	0.7
140.07176	3.7
150.93764	0.6
152.07185	0.6
172.07684	17.0
182.63593	0.7
197.07198	0.8
198.05579	1.5
198.09309	9.0
199.08719	0.7
213.06770	1.1
213.10300	3.4
214.08777	1.2
215.08278	47.4
223.10927	0.8
226.07506	1.5
229.06148	1.0
231.07799	2.5
241.09828	44.2
243.09999	1.0
259.10880	100.0
267.09839	7.1
303.09882	69.1
311.12503	3.1
347.08862	32.7
347.14285	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	347.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69330	0.6
56.80824	0.5
59.01377	1.3
66.03485	38.7
73.02967	0.7
79.79415	0.6
85.02978	0.6
92.05039	2.4
94.02973	1.4
101.02438	0.8
108.04559	0.8
109.06563	4.3
122.06168	0.7
127.07659	3.5
136.04036	3.8
136.07690	9.4
148.07701	10.7
186.07979	2.6
199.08784	2.5
200.05959	0.6
200.09509	1.1
211.05219	0.9
212.05836	4.0
213.10336	2.2
214.08748	0.8
215.11896	6.4
216.10492	0.7
224.05957	0.8
225.06664	1.0
226.07434	3.3
241.09834	100.0
259.10873	10.7
285.08875	2.4
303.09885	65.9
347.04568	1.1
347.08841	32.2
347.13370	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	347.0887
Annotation	CHEBI:81406
Peak:m/z	Relative Intensity
59.01390	6.5
65.42714	1.3
71.01373	2.8
83.01453	1.2
90.03467	1.5
91.19267	1.2
92.05050	11.7
102.03485	3.2
108.04542	2.3
118.03008	1.7
120.04545	6.2
122.06174	2.0
130.06645	2.3
136.04059	25.2
138.05597	21.6
140.07173	5.8
143.07387	10.8
155.10773	9.3
156.08217	2.6
157.08949	5.8
167.05891	1.7
168.06654	11.2
170.04924	1.9
172.11328	37.9
180.03035	3.1
185.11815	2.2
187.06398	32.2
188.10857	2.0
198.09338	2.1
199.08839	3.2
200.07086	1.6
201.07990	11.8
211.05190	1.5
212.05922	34.5
213.10359	3.3
215.09528	3.2
216.10304	46.6
224.05975	2.6
225.06694	3.2
226.07489	7.6
231.05371	34.5
232.09868	2.1
240.09071	8.5
241.09850	100.0
241.12291	3.2
242.08273	1.6
245.07005	6.7
259.11060	10.4
260.09293	91.4
285.08835	96.4
303.09900	71.2
347.08926	52.3
347.13281	4.4
347.17136	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	347.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18715	0.7
59.01377	9.9
71.01383	2.0
79.50881	0.9
85.02957	1.0
89.02427	1.2
101.02408	3.4
120.08199	1.0
136.04048	1.1
138.05656	1.2
154.15030	0.8
155.10863	1.1
167.10780	1.2
185.11864	2.0
201.10378	3.6
213.10406	3.8
220.06117	1.2
229.09708	8.7
229.13498	4.2
239.11896	6.9
241.09816	5.8
255.11432	3.8
257.09338	3.9
257.12985	3.5
259.10767	1.2
267.11377	7.8
275.10373	1.3
276.15146	1.1
285.12585	3.6
289.11914	1.7
301.08829	1.4
301.11935	8.8
315.09778	1.2
316.10773	1.5
317.11411	1.4
319.13010	9.5
329.11484	1.3
347.12564	100.0
347.17035	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	347.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	4.5
59.01125	0.5
59.01376	4.4
61.01222	0.6
70.54063	0.5
71.01384	2.9
75.00872	1.1
85.02954	0.9
89.02431	1.4
89.08868	0.5
95.01419	0.6
101.02444	1.4
104.56897	0.5
112.26688	0.5
113.02464	0.7
126.63853	0.6
129.01921	2.5
137.09714	7.3
141.10170	0.6
147.02954	2.3
152.91609	0.6
153.27190	0.8
155.10777	100.0
160.86620	0.6
165.04050	4.6
199.09770	29.4
205.77168	0.6
221.88095	0.6
241.09869	0.6
260.06992	0.5
307.92923	0.6
347.13480	43.1
347.17181	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	347.135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21554	1.1
56.04185	1.2
56.53653	1.2
59.01377	25.0
61.06525	1.2
61.49854	1.2
66.03485	69.6
70.50935	1.1
71.01376	10.9
73.02932	8.5
76.90516	1.3
79.64756	1.2
83.01383	1.4
85.02952	7.6
89.02441	2.1
94.02947	1.8
99.00897	1.8
101.02448	28.3
108.04587	1.6
109.06584	86.8
113.02441	6.4
113.92089	1.4
115.09853	1.4
127.07648	65.9
132.04666	1.3
136.04071	3.4
136.07671	16.3
142.18231	1.2
148.07678	23.1
153.05576	11.5
161.04533	3.1
171.06657	1.6
186.07961	2.5
193.07161	30.8
194.41830	1.5
212.05966	2.1
213.02948	1.4
215.11906	13.6
241.09821	78.5
259.10825	10.9
289.57199	1.5
303.09903	75.1
347.08865	32.8
347.13464	100.0
347.17285	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	347.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82862	1.4
56.59044	1.6
59.01382	100.0
60.09051	1.8
61.78227	1.6
62.46504	1.4
71.01379	41.6
83.01395	2.1
85.02943	10.0
89.02434	49.8
101.02444	32.5
111.90134	1.8
113.02444	24.3
119.03484	17.9
158.45990	1.7
167.10739	2.2
185.11780	3.1
347.17157	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	347.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60291	0.5
59.01382	36.0
71.01378	20.3
72.99316	0.7
73.02936	3.6
74.80047	0.5
76.55322	0.5
81.37149	0.5
83.01379	1.4
85.02949	6.3
85.86414	0.6
89.02434	16.2
89.02957	0.9
95.01386	1.0
101.02444	16.3
113.02441	9.4
119.03478	4.2
126.28486	0.7
127.07641	0.6
131.03435	0.8
155.34225	0.6
161.04463	0.6
167.10771	5.0
179.05527	0.7
185.11899	4.9
241.09775	1.3
260.09274	0.8
285.08704	0.9
303.09866	1.0
347.17126	100.0
367.66745	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1714
Annotation	Schizonepetoside E
Peak:m/z	Relative Intensity
51.30657	0.7
59.01382	79.5
59.38176	0.8
66.47290	0.7
71.01006	1.4
71.01377	30.1
71.06374	0.7
73.02954	0.8
83.01382	1.4
84.18581	0.7
85.02953	7.0
89.02433	38.0
95.01373	3.7
97.04052	1.8
99.00887	2.7
100.00360	1.2
101.02438	21.4
106.32762	0.7
111.08144	3.2
113.02441	15.0
113.03580	0.9
119.03500	11.7
124.01611	1.3
125.07174	4.7
127.05053	0.8
137.02412	5.9
138.05525	0.7
143.03455	1.3
149.02422	1.2
161.04620	1.1
164.04787	4.3
167.10797	21.4
169.06192	1.3
170.03290	3.3
173.08185	4.3
175.03935	0.9
179.05609	4.2
179.07153	4.1
185.11882	1.7
190.06384	1.5
201.05568	12.5
203.03497	3.2
213.05154	4.0
216.07935	9.7
218.05881	10.0
231.10251	3.3
233.08209	10.1
247.11852	1.5
273.04041	1.2
275.09320	9.4
278.66119	0.7
303.08752	8.1
347.07904	27.4
347.12961	4.0
347.17114	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03495	1.5
62.30291	1.5
64.04177	1.9
65.16247	1.4
69.61095	1.5
74.03654	1.5
103.64892	1.6
127.11341	2.4
134.00603	2.0
155.10715	2.2
166.80576	1.8
171.10263	2.6
181.28889	1.7
183.13939	3.0
201.11345	45.8
253.13255	1.8
275.20169	3.2
293.21185	3.8
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	347.244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53246	0.7
51.98607	0.7
73.02953	1.1
79.23736	0.8
84.70509	0.8
90.73488	0.9
91.60042	0.8
97.06580	0.8
99.08142	2.0
100.58087	0.8
127.11281	1.8
129.09290	1.3
139.11278	4.1
171.10300	9.4
183.10384	1.2
199.13419	4.8
201.11334	13.5
211.13390	7.8
215.12843	7.1
217.14525	6.4
229.14529	1.4
240.92696	1.1
303.19754	1.0
305.07959	1.5
311.22375	1.1
329.23386	9.1
347.18860	6.4
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	347.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42751	1.0
59.96172	1.2
103.15178	1.3
150.86890	1.3
221.15479	6.9
231.11600	1.5
242.11774	1.5
300.62787	1.4
347.29605	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92535	0.7
55.35829	0.6
57.85951	0.7
84.69840	0.7
91.16795	0.7
99.94043	0.8
123.66496	0.7
166.02165	0.7
168.35645	0.7
174.73564	0.7
221.15424	3.0
347.29599	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	348.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22682	0.6
59.01380	100.0
65.26629	0.6
68.10409	0.6
72.72001	0.8
83.13542	0.9
89.19480	0.6
95.25180	0.8
264.23074	0.7
374.06708	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1003
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56977	2.0
59.01383	2.6
66.64996	1.9
69.00928	2.3
70.18758	1.9
71.01363	3.0
75.00864	2.8
81.00904	2.8
87.00891	2.5
88.06513	2.2
89.02419	3.3
96.02027	4.9
96.42058	2.5
97.00398	5.7
97.98812	19.5
98.02467	4.5
99.00881	17.2
100.01543	9.7
109.00439	2.8
111.01997	3.6
111.99148	5.4
112.01538	18.0
112.98823	3.6
118.05093	65.4
124.01508	11.5
125.02330	2.8
126.98830	2.8
127.01474	4.5
128.01001	92.5
135.03105	2.8
140.00037	4.2
140.01028	58.7
141.01796	3.4
142.02518	7.3
142.99847	4.4
149.04527	2.8
152.00977	5.3
154.02554	3.5
163.74879	2.3
168.99852	2.4
169.02513	2.9
170.02068	24.8
175.08279	2.8
200.03171	4.5
212.03134	11.9
229.05780	100.0
230.04138	17.6
260.94241	9.4
286.92206	3.2
289.07983	10.0
313.07932	3.1
331.08978	27.9
348.92322	13.3
349.10196	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	349.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.1
67.58567	2.0
69.00914	2.4
71.01374	2.5
71.59596	2.3
75.00879	3.8
81.00929	2.4
83.88605	2.0
87.00865	2.4
92.23067	4.2
96.02029	4.5
97.00420	5.5
97.98844	24.3
98.02459	4.7
99.00880	16.1
100.01513	9.2
102.15940	1.9
109.00434	2.9
109.97519	2.5
111.02021	3.6
112.00420	3.7
112.01521	17.0
118.05095	66.4
124.01516	11.1
125.02282	3.7
126.03037	3.1
127.01463	3.1
128.01019	100.0
128.01976	3.8
139.99957	2.3
140.01025	52.5
140.02075	4.1
141.01801	2.5
142.02588	9.0
142.99873	2.8
152.01019	4.8
153.01840	4.8
154.02565	5.1
165.78244	2.2
170.02095	22.8
173.00894	3.0
191.48117	2.2
200.03133	2.9
212.03168	12.9
229.05768	92.9
230.04158	16.1
260.94186	2.7
289.07965	10.3
304.86661	2.9
313.08035	3.2
325.98712	2.6
331.08957	26.2
349.10022	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	349.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75134	1.7
59.01373	2.9
65.27294	1.7
71.15653	1.6
72.99313	4.3
80.77203	2.0
93.04613	1.6
97.76881	1.6
116.67219	1.8
120.05668	2.5
121.02940	10.8
128.01015	2.2
169.12346	3.8
175.12402	18.3
185.11848	2.5
200.12013	2.5
218.12991	56.5
229.05807	2.1
261.13556	9.2
287.11536	19.5
305.12622	100.0
349.11469	22.7
349.15182	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	349.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.6
57.03453	24.6
59.01383	7.9
65.82903	1.1
67.01883	1.9
71.01388	6.6
73.02942	2.1
75.00897	1.4
83.01383	9.9
84.02144	1.6
85.02946	100.0
89.02477	2.2
92.22453	1.4
101.02434	7.5
111.00878	33.8
129.01944	57.5
143.10779	22.8
146.31689	1.2
161.04517	1.8
187.02534	1.4
205.03525	29.3
283.02530	1.5
349.15152	19.2
349.18829	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	349.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70664	1.3
59.01381	100.0
64.95229	2.1
71.01378	20.8
73.02938	46.5
75.95336	1.4
83.01378	10.0
83.06888	1.5
85.02969	2.5
89.02440	3.3
90.45031	1.7
91.56547	1.6
94.05447	1.5
94.11684	1.8
101.02448	31.0
104.64304	1.6
113.02439	9.2
114.84748	2.0
127.07636	40.6
130.63487	1.6
143.03453	2.3
149.04579	3.4
161.04564	9.1
166.86006	1.8
183.07690	1.8
203.05641	1.6
307.17770	3.2
349.14975	13.6
349.18762	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	349.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62183	1.5
56.63179	1.4
57.03448	3.9
57.20913	1.5
59.01379	100.0
69.68151	1.5
71.01381	38.7
75.99965	1.9
78.79093	1.6
85.02951	21.0
89.02438	58.4
95.01386	1.9
101.02427	22.9
113.02452	22.5
119.03468	16.7
124.75358	1.9
129.01930	3.2
141.23705	1.8
143.03525	1.9
161.04562	7.2
169.12326	47.9
179.05603	17.6
205.03577	3.5
233.85016	2.0
349.18564	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	349.187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38132	0.3
59.01382	100.0
70.93814	0.3
71.01382	3.2
73.02954	1.5
78.56006	0.3
83.01389	0.5
85.02947	5.4
89.02446	0.9
92.23112	0.5
99.00906	0.4
101.02444	3.2
113.02460	0.9
129.01936	1.6
161.04594	2.4
177.19283	0.3
179.52147	0.4
184.43036	0.3
186.32164	0.4
205.03658	0.5
289.16599	5.9
349.15152	0.7
349.22610	0.6
351.22806	0.4
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
59.01382	100.0
63.82320	0.9
71.01374	23.0
73.02954	1.9
83.01357	1.1
85.02945	5.6
85.51527	1.0
89.02438	24.0
91.01843	1.1
95.01381	2.5
101.02439	17.5
113.02431	11.9
116.57384	1.3
118.92733	1.1
119.03486	6.6
143.05229	1.2
150.24753	1.2
161.04558	1.6
169.12340	7.8
187.13370	1.7
289.16589	6.1
342.49817	1.1
345.04398	1.4
349.18689	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	349.187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02061	0.5
53.73239	0.4
55.40273	0.6
59.01154	1.2
59.01381	27.4
63.73824	0.6
71.01373	12.6
71.01731	0.9
73.02953	0.8
77.38438	0.6
85.02945	2.7
87.00867	1.1
89.02441	17.8
101.02437	11.8
106.87344	0.6
113.02427	6.8
113.76306	0.7
119.03481	6.0
139.61859	0.7
141.12857	18.5
169.12308	5.6
171.13948	1.4
178.40245	0.6
183.13884	1.1
187.13393	57.1
223.85387	0.8
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	349.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	48.2
65.51007	0.4
70.10091	0.5
71.01382	12.1
73.02933	4.1
77.48512	0.6
83.01373	3.3
85.02943	6.3
87.00864	1.2
89.02442	5.9
95.01367	1.1
96.58249	0.5
97.02939	0.5
99.00864	1.2
101.02436	11.6
113.02441	5.6
119.03503	1.0
125.02367	0.6
161.04562	0.7
169.12288	0.9
187.13405	38.3
201.74875	0.6
235.33661	0.6
239.93161	0.5
263.14984	0.8
307.17572	6.4
331.17651	2.9
349.18716	100.0
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
58.19288	0.7
59.01385	8.0
71.05021	1.4
71.23055	0.7
89.02435	0.8
91.04010	1.8
97.00078	0.8
99.00873	9.5
112.19665	0.8
125.09711	4.2
126.36086	0.8
153.80930	0.7
155.14407	0.9
163.11305	5.5
175.03963	1.8
181.12372	17.9
197.11838	1.1
199.13416	100.0
206.83316	1.0
207.10321	14.4
225.09132	1.8
225.11342	52.3
230.92276	1.1
231.15990	12.3
243.12379	23.0
255.12790	0.9
275.14877	1.1
317.16086	24.4
349.18716	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	349.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
61.63176	1.7
61.90511	1.7
80.32593	1.5
85.13210	1.8
89.79530	1.8
98.30806	1.7
123.89616	1.8
135.27858	2.0
137.95633	2.0
138.83629	2.0
171.10229	3.6
201.11342	41.8
214.91595	2.2
276.98822	1.8
295.22815	2.2
311.22406	3.7
313.20181	3.4
313.23880	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	350.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01102	2.1
59.01380	45.2
75.00871	1.5
78.99653	1.0
83.75750	1.2
88.95620	1.1
90.10850	1.1
94.98209	1.3
103.00367	100.0
140.92992	1.3
259.09119	1.4
318.75061	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	350.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66791	1.4
54.40765	1.4
59.01382	48.4
89.02388	2.0
102.99696	3.8
103.00371	100.0
113.13956	1.5
131.85660	1.8
134.88893	1.6
159.36389	1.8
161.04680	1.8
173.86734	2.0
232.72469	1.8
280.08652	1.7
300.57874	1.9
334.80804	1.9
346.48141	1.8
350.14374	1.7
363.35175	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	350.136
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50624	1.7
58.02971	4.3
58.07939	2.0
62.73739	1.9
62.82481	2.3
64.33697	1.8
70.17136	2.1
70.82867	2.0
73.04063	10.7
76.22412	2.4
91.05566	2.4
98.02467	5.2
99.92520	2.1
112.05151	11.4
113.03539	3.2
115.05108	4.3
126.01995	3.8
129.06726	3.7
130.06215	95.0
145.23343	2.3
147.04553	5.3
154.06219	43.1
164.07222	25.8
172.07285	26.5
177.10355	22.6
221.09288	4.6
221.60242	2.4
234.12500	15.5
250.34592	2.6
276.13525	3.5
276.77759	2.3
320.12640	36.6
332.12506	11.8
350.13538	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
63.48871	0.5
63.99840	0.6
66.11155	0.6
74.61916	0.5
77.04533	0.6
96.96004	100.0
125.13155	0.6
127.43947	0.6
156.99469	0.6
260.38681	0.7
350.20114	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	350.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77207	88.9
86.86118	91.2
98.78122	89.0
103.61193	95.4
107.35743	100.0
134.88002	84.0
246.91776	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	350.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79390	54.4
58.84157	55.3
70.85979	57.3
75.68908	66.3
76.96513	55.2
93.33553	63.1
96.93656	67.0
118.73559	72.6
128.34927	62.8
143.59924	68.4
267.25192	66.3
276.83960	62.4
294.23038	68.6
350.24512	100.0
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
50.74019	59.6
52.93483	81.3
54.15470	57.3
54.15742	60.7
55.00107	67.6
65.23608	70.8
67.65176	60.9
78.71490	64.8
87.60169	86.3
93.81195	67.2
102.89706	71.1
124.30091	70.1
358.42557	100.0
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
51.73832	17.6
53.83892	15.9
91.23968	24.7
96.95998	100.0
139.41505	21.0
143.53587	26.3
152.87598	28.0
172.21645	21.2
204.58618	24.6
346.96988	21.4
350.20084	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	351.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06433	0.3
50.77075	0.3
57.03243	0.2
57.03455	3.3
59.01381	8.2
61.22689	0.3
65.23723	0.3
71.01378	2.5
74.02465	7.4
78.95904	7.1
78.96371	0.6
85.02946	0.6
87.00879	1.5
89.02436	1.7
91.07478	0.4
99.00918	0.4
99.04517	4.1
100.00407	0.4
101.02435	1.9
110.98534	11.7
111.01997	100.0
113.02414	0.6
116.03507	2.6
117.03046	2.7
123.03189	0.5
125.02548	0.5
125.03548	3.3
127.04013	0.7
127.07641	1.7
128.03506	0.8
129.01913	1.7
129.05557	0.7
136.04004	0.4
138.05630	3.0
146.04593	0.5
147.03017	0.6
159.03012	0.4
161.04617	2.5
164.05643	14.0
167.01134	1.7
171.06590	1.5
179.01141	0.4
189.07748	0.8
189.09457	0.4
204.06993	0.4
206.06641	1.3
207.06227	10.3
207.08348	0.5
233.03197	0.5
239.03273	6.9
242.07620	0.4
267.14374	0.4
271.11002	0.7
289.11966	1.4
291.10815	1.7
307.12860	0.4
308.09927	1.6
351.05997	38.5
351.12695	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	351.12
Annotation	139427-57-9
Peak:m/z	Relative Intensity
57.03434	2.8
59.01382	57.2
69.30286	2.2
71.01384	15.9
73.02934	3.0
78.71148	2.0
85.02943	16.1
87.04510	51.1
89.02436	15.3
91.42014	2.5
98.02484	9.9
99.00858	2.4
101.02460	10.9
105.09395	2.3
110.02471	15.8
112.04016	3.3
112.13876	2.2
113.02448	6.0
119.03461	4.8
122.06095	5.6
124.04057	4.2
134.06160	4.4
136.04059	19.6
136.07677	100.0
140.03519	31.3
150.05557	3.4
152.03569	11.0
154.05118	5.8
161.04584	4.5
161.84947	2.5
166.04990	2.3
167.79584	2.6
168.06618	2.7
170.04594	76.3
183.05341	4.6
184.06050	2.7
191.08162	2.7
204.10295	2.9
216.10431	18.0
227.08270	12.8
228.09094	11.7
229.09822	10.0
231.07582	3.2
234.11314	6.0
243.11385	3.6
247.10886	17.7
247.67636	2.4
259.10886	15.7
265.09381	5.4
271.10880	16.5
289.11874	31.2
307.13083	23.8
321.11139	4.6
351.07758	6.7
351.12210	72.5
351.16608	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	351.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	21.2
61.91938	0.7
68.93745	0.8
71.01371	9.7
74.02465	3.4
74.41853	0.8
81.69550	0.9
89.02436	12.0
98.36459	0.9
99.04503	1.0
101.02444	5.8
109.06564	2.0
113.02442	4.9
119.03481	3.6
127.07639	100.0
131.62302	0.8
161.04509	1.2
164.05623	2.0
171.06624	46.7
179.05583	1.7
180.53436	1.0
207.06204	3.6
328.00192	0.8
351.12997	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	351.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	29.9
66.29378	0.9
71.01374	7.9
82.31313	0.9
83.78217	0.9
86.73901	1.1
89.02438	13.0
92.22569	1.2
101.02444	5.9
113.02439	4.9
119.03502	4.8
123.03290	1.7
127.07645	100.0
130.86018	1.1
133.02943	5.6
138.05661	8.8
150.04254	1.6
153.05553	5.0
171.06624	46.2
351.12946	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	351.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95764	0.7
56.38214	0.7
59.01372	11.5
68.93146	0.9
68.97413	0.7
71.01373	6.0
72.99300	1.0
75.00862	11.4
85.02946	11.3
87.00856	3.6
89.02435	3.6
90.76270	0.8
95.01382	4.8
99.00854	7.3
101.06071	91.0
103.00376	1.1
109.94183	0.9
110.32073	0.8
113.02441	12.8
115.00358	1.3
117.01920	1.7
129.01941	1.3
157.07861	0.8
175.02411	1.0
196.12421	0.9
231.05138	0.9
239.28362	0.8
249.06140	11.4
351.12976	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.4
59.01381	100.0
68.99784	2.3
71.01372	14.1
73.02944	5.9
83.01390	2.7
85.02939	9.5
86.89157	1.4
87.00887	1.8
87.04513	34.9
89.02438	9.3
95.00708	1.1
95.01368	2.1
96.14805	1.3
96.99304	2.5
98.02487	1.4
99.00844	2.0
101.02449	16.3
108.04602	1.6
111.04501	1.3
113.02418	11.2
115.00346	2.8
115.03978	1.5
115.08690	1.5
119.03509	2.5
122.06087	5.1
124.28561	1.5
131.03677	1.4
133.02943	2.9
134.03745	4.6
136.04070	1.5
136.07689	6.7
140.03523	1.2
147.05685	2.4
148.07600	1.2
150.05588	6.2
161.07222	2.0
170.04608	6.0
171.10304	5.1
173.04582	8.9
175.02530	1.9
175.05154	4.6
176.06004	2.2
177.02020	1.4
193.05078	2.9
203.11989	2.2
227.08272	6.3
227.32663	1.2
228.08763	9.0
243.11479	1.6
245.12901	8.0
247.10915	7.6
256.08301	1.5
263.14047	2.2
271.10867	11.5
289.11981	19.4
291.14639	9.3
307.12994	8.0
351.07581	16.8
351.12567	17.4
351.16617	83.9
365.27814	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	351.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
71.01378	9.3
72.99296	0.9
73.02914	1.0
73.39658	0.7
75.00868	3.6
83.01381	1.1
85.02943	9.2
87.00866	1.8
89.02432	4.9
95.01409	1.6
99.00868	4.7
101.02428	6.9
101.06073	39.7
101.06744	1.6
113.02454	11.2
115.00384	1.4
129.01884	0.8
152.03490	0.9
161.04549	1.5
175.02522	1.2
265.12900	1.4
289.24030	0.7
291.14420	10.6
351.12921	41.2
351.16754	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	351.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17909	0.3
55.62389	0.4
59.01382	100.0
60.32833	0.4
66.10664	0.5
92.47806	0.4
93.65256	0.4
107.97015	0.4
112.38015	0.4
116.92900	0.8
132.63582	0.4
210.56413	0.4
351.16608	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72599	0.6
59.01382	100.0
65.06133	0.5
67.43976	0.6
71.01374	11.4
72.99316	0.8
75.00855	0.8
85.02957	5.6
87.00867	0.6
89.02435	14.6
90.32253	0.8
95.01381	1.1
99.00871	2.5
101.02438	4.7
101.06078	22.4
113.02412	6.5
117.01990	0.9
119.03471	4.5
131.74736	0.7
143.03433	1.0
161.04561	3.0
179.05579	9.4
188.04073	0.7
249.06119	1.5
291.14468	0.8
351.12823	22.3
351.16754	3.1
351.20126	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23833	0.5
55.80226	0.5
56.50500	0.5
59.01382	100.0
60.98590	0.5
71.01379	3.4
73.02937	0.7
79.53708	0.5
85.02946	2.2
85.53162	0.5
89.02438	2.9
95.14587	0.6
101.02441	3.4
113.02442	0.9
119.03481	0.8
125.03535	0.8
133.17178	0.6
139.07640	0.6
156.56303	0.7
156.57712	0.6
157.08688	2.4
161.04544	0.8
212.13788	0.8
213.71718	0.6
233.45934	0.6
239.43402	0.6
246.12428	2.2
271.18845	0.6
285.56387	0.7
291.14426	3.3
328.40149	0.7
351.12399	1.6
351.16608	3.6
351.20419	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	351.1848
Annotation	Clidinium
Peak:m/z	Relative Intensity
57.95530	0.9
59.01372	5.5
61.10119	1.1
62.26741	0.9
70.41399	0.8
74.08063	0.9
84.59875	1.0
89.93240	1.1
96.96002	100.0
149.16930	1.1
247.13124	1.1
271.22818	34.1
289.88022	1.1
351.18500	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	351.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84701	0.6
59.01382	100.0
59.91129	0.6
71.01354	1.0
85.02905	0.8
89.15548	0.7
96.96004	0.8
101.02434	1.5
103.03144	0.8
113.02436	1.6
195.26848	0.9
239.74066	0.7
265.58905	0.8
288.97382	0.8
291.18259	9.4
339.55582	1.0
347.74014	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
70.22045	1.8
99.34869	1.8
118.26086	1.7
121.14452	1.8
125.90645	2.6
135.73213	1.8
155.20296	1.8
233.31595	2.2
291.18137	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	351.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36516	0.4
57.88130	0.6
59.01377	2.0
79.95726	11.7
80.96518	0.9
94.98077	40.7
96.95987	3.4
97.39841	0.5
235.17033	0.7
277.18286	0.9
333.21002	4.1
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	351.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50261	0.5
59.01100	0.8
59.01382	21.9
59.36578	0.5
85.97755	0.5
113.02481	0.6
139.28348	0.6
166.89915	0.6
195.11272	1.9
215.21487	0.6
235.14638	4.0
253.15617	3.3
262.07056	0.7
263.14072	1.1
291.18152	0.9
351.22913	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	14.1
69.54324	0.8
71.01376	4.6
73.23907	0.9
81.03466	1.0
85.02964	4.7
87.00900	1.0
87.82564	0.8
93.03438	19.6
111.04514	4.8
113.02400	1.3
134.03757	1.2
135.04524	68.2
137.02441	5.1
155.03526	5.8
161.02469	4.5
173.04550	100.0
174.34631	1.1
179.03506	74.9
183.81354	1.0
190.11615	0.9
191.05630	77.6
197.94707	1.0
353.08832	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	353.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34998	1.7
52.04141	1.8
55.32680	1.9
59.01373	18.6
59.82185	2.0
67.01858	2.5
67.26832	1.9
71.01385	2.0
84.40955	1.9
85.02963	3.0
93.03452	14.8
111.00880	2.8
111.04527	5.4
135.04529	79.3
137.02423	3.3
155.03499	4.5
161.02426	4.1
173.04541	99.2
179.03505	76.2
191.05624	100.0
263.01471	2.6
273.16016	2.3
340.23615	2.2
353.00928	4.2
353.08762	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	353.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56121	0.4
59.01384	4.1
65.36755	0.5
70.58302	0.5
85.02954	2.9
87.00827	0.7
93.03457	1.1
96.96004	0.8
98.31982	0.6
111.04476	0.9
134.03699	1.1
135.04521	52.4
144.44702	0.6
148.50586	0.6
155.03490	1.1
161.02429	4.3
173.04547	1.2
179.03503	59.5
191.05624	100.0
234.45103	0.6
328.26740	0.6
353.08801	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	353.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.2
65.75610	0.5
91.29010	0.5
124.99776	0.4
125.00827	0.5
131.39908	0.6
134.03780	0.8
145.02922	2.5
206.07533	0.6
207.08162	2.0
223.07655	2.4
233.06104	0.6
234.06821	2.2
235.07655	2.8
238.10031	0.7
251.07132	16.7
261.05539	1.1
262.03738	0.5
262.06366	3.3
263.07129	16.9
264.07895	8.1
265.08752	1.0
267.06641	2.2
277.08673	1.0
278.05942	0.6
278.09393	2.8
278.95624	0.5
279.06625	53.8
282.06287	0.5
282.08960	4.2
293.08221	3.6
294.09018	9.8
295.06113	22.4
306.05246	1.8
307.06128	13.9
308.06955	0.9
309.07764	2.5
309.11456	0.5
310.08499	6.5
321.07690	2.7
322.08514	11.4
323.05630	64.2
323.08960	2.5
337.07199	4.2
338.04794	0.6
338.07993	30.3
353.10321	100.0
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
52.29910	0.4
55.01869	0.5
55.03049	0.4
57.03439	1.0
59.01380	13.5
61.44641	0.4
67.01888	0.4
68.99818	0.6
69.03472	0.7
71.01373	8.6
71.01732	0.6
72.99307	2.7
73.02940	31.0
73.66232	0.4
75.00867	12.8
82.66544	0.4
83.01359	0.8
85.02943	19.2
87.00869	4.2
89.02444	4.7
93.03436	0.5
95.01380	4.4
99.00883	7.1
101.02409	0.8
101.06013	0.5
103.00377	1.0
103.04004	50.3
109.02960	0.8
111.00861	0.5
113.01654	0.6
113.02436	17.7
115.00349	1.9
117.01959	3.1
129.01906	1.1
138.05611	1.8
157.01407	0.6
175.02524	1.6
189.04057	1.0
205.07100	0.5
227.77493	0.5
231.04990	3.1
249.06169	27.3
263.00055	0.5
269.54849	0.5
323.09869	0.8
335.09756	3.9
340.07928	0.5
353.10916	100.0
363.60437	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	353.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36400	0.7
51.98982	0.9
57.03452	3.6
59.01382	35.8
60.64178	0.9
69.89856	0.8
71.01015	1.1
71.01382	26.5
73.02940	19.9
74.20004	0.9
83.01389	8.9
85.02946	19.4
87.00850	1.8
87.94589	0.7
89.02426	7.0
95.01401	1.4
97.02957	1.7
97.50069	0.9
99.00864	7.2
101.01769	1.8
101.02438	50.1
110.06126	6.8
111.00986	0.9
111.04523	0.9
112.04046	2.1
113.02428	19.6
124.04014	4.6
125.02444	1.9
127.04095	0.9
129.05582	1.8
131.03517	1.2
134.06078	1.9
135.04495	13.3
136.04080	1.6
136.07658	4.2
138.05612	22.1
140.07172	1.1
143.03493	1.6
159.02946	4.6
161.04544	12.2
167.39534	0.8
168.47517	1.1
179.03491	12.3
182.04517	1.0
184.06143	5.1
191.05623	24.2
221.10324	48.4
231.11421	4.1
233.49260	1.0
273.12476	1.1
275.10159	1.0
293.11649	5.9
298.67551	1.1
328.76450	0.9
335.12601	3.6
346.35110	1.0
353.09134	6.8
353.14554	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71673	0.3
52.65707	0.3
59.01382	0.4
67.96909	0.4
73.02937	0.4
73.14015	0.3
79.95744	3.6
94.98066	0.7
96.96003	45.0
99.70181	0.3
104.60238	0.4
117.04480	0.4
122.97596	3.3
130.14220	0.4
176.61359	0.4
211.62025	0.4
214.23412	0.4
332.58066	0.5
353.20078	100.0
371.41135	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90681	0.4
62.60805	0.4
64.59074	0.4
71.44720	0.4
71.70907	0.4
73.02942	6.7
76.22128	0.4
79.95728	2.3
96.96002	42.9
122.97585	3.2
124.15945	0.4
125.50802	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	353.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53963	0.7
62.87251	0.9
64.35551	0.8
95.51593	0.8
100.79459	1.0
105.14429	1.0
108.88261	1.1
114.46266	0.9
133.22824	0.9
150.20410	0.9
163.11281	55.2
177.09200	53.3
229.94823	1.1
353.21255	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	353.2311
Annotation	3,3-Difluoro-5alpha-androstan-17beta-yl acetate
Peak:m/z	Relative Intensity
52.66294	1.0
58.59850	1.2
58.97354	1.2
59.01380	2.6
64.25333	1.1
65.33936	1.1
88.19139	1.4
135.36232	1.3
145.39661	1.2
157.97284	1.3
183.90884	1.2
225.20050	2.2
225.22241	66.7
271.22803	100.0
353.23114	21.9
353.30548	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	353.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01101	4.4
59.01382	100.0
61.87345	2.7
70.96973	2.1
71.86598	2.2
104.18633	2.7
117.62338	2.7
121.10210	13.6
125.09773	3.1
148.58995	2.5
171.10275	32.7
201.11389	28.4
232.66447	2.5
241.36293	2.9
249.16197	2.5
275.20172	40.3
293.21228	76.2
311.22263	6.1
315.25320	12.7
344.59500	2.8
353.23407	52.1
353.27460	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	353.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78868	1.2
55.54088	1.1
56.73180	1.2
59.01382	71.1
59.98381	1.1
60.39300	1.1
63.77742	1.1
67.40879	1.2
68.40901	1.3
71.05033	2.0
82.04871	1.5
87.04520	2.3
92.12850	1.7
98.96051	1.4
116.30900	1.7
121.10220	7.2
162.96268	1.4
171.10258	17.2
183.10283	1.9
183.13913	6.9
201.11339	25.5
222.77087	1.5
223.17003	7.5
235.17049	8.1
259.87216	1.7
275.20172	34.4
284.98212	1.5
293.21243	100.0
311.22391	20.1
353.23376	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	353.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36907	1.2
59.01385	100.0
59.17074	1.1
62.39471	1.2
77.78534	1.5
108.04388	1.4
113.09702	2.4
121.10229	2.0
125.09632	1.7
139.11290	9.7
139.75891	1.4
145.24329	1.4
157.89442	1.5
171.10281	34.5
172.14528	1.5
273.30917	1.6
275.20245	14.0
277.21777	7.1
293.21265	41.5
295.22885	2.5
311.22308	34.3
345.74225	1.4
353.18640	31.4
353.23325	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	354.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03551	1.0
51.48502	1.0
52.30214	1.1
54.50945	0.9
59.01381	100.0
61.95100	0.9
67.12554	0.8
69.08728	0.8
87.29822	0.9
93.68415	1.1
139.42654	1.2
178.23448	1.2
179.42052	1.1
294.24451	1.1
297.16949	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37285	0.6
59.01383	100.0
60.65956	0.6
72.01867	0.6
119.93175	0.7
131.01639	0.7
145.15411	0.8
186.25395	0.6
202.74867	0.7
225.78041	0.6
225.98421	0.6
279.66177	0.7
294.24521	1.4
354.19211	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18143	1.1
59.01381	100.0
71.47694	1.1
71.97488	1.3
76.22849	1.2
137.59248	1.2
175.08034	1.3
294.21436	3.3
312.22766	3.2
354.19180	1.7
354.23630	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	354.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
65.56744	0.9
70.67677	0.9
89.75668	0.9
115.72633	1.0
118.53784	1.0
132.55043	1.1
151.66335	0.8
188.45213	0.9
241.45177	1.2
294.24484	1.5
330.89630	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57644	3.1
56.60101	2.7
59.01381	100.0
61.29901	3.4
62.62773	3.5
74.60685	3.7
83.06311	3.6
129.69136	3.5
131.59706	3.7
139.40697	3.6
179.09229	4.2
184.14592	4.0
184.44450	4.2
202.93912	4.3
263.19565	4.4
285.22577	4.4
294.21564	4.3
354.23431	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	354.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
64.53055	0.9
82.92000	0.9
101.22764	0.8
108.16929	1.1
127.23252	1.0
250.38660	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
57.03449	10.4
59.01376	6.2
63.56543	1.1
68.99825	2.1
69.03449	4.6
71.01379	9.1
72.99315	5.5
73.02956	0.9
83.01384	1.6
84.02164	1.0
84.48144	0.9
85.02947	40.7
87.00880	12.1
87.04501	1.6
89.02435	2.0
89.96743	1.0
95.53540	0.9
97.02956	9.2
98.02537	1.0
99.00877	13.5
100.42603	1.0
101.02434	1.3
111.00878	6.1
113.02420	1.3
115.03999	4.4
116.03552	1.7
118.05093	14.1
119.05014	65.3
129.00974	1.3
129.01936	30.0
134.03752	9.9
141.01962	5.7
145.02975	5.4
149.06102	1.4
159.03003	7.7
163.04019	76.7
169.12341	2.4
175.03931	1.2
191.05649	8.8
193.05067	9.0
209.06686	100.0
221.12946	10.9
238.15666	1.3
254.15108	5.4
355.10413	96.6
355.19931	15.9
355.24567	1.3
355.25305	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87259	0.5
57.03442	0.8
64.53850	0.6
83.01345	0.7
85.02947	10.9
87.00870	3.1
91.10835	0.6
99.00876	0.7
119.05015	72.7
123.60610	0.6
124.67357	0.6
129.01918	6.3
134.03714	11.2
149.06073	3.4
152.03831	0.7
159.02953	1.3
163.04010	100.0
178.02724	3.4
191.05629	5.3
193.05038	15.9
209.06689	29.3
212.03836	0.8
355.10468	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	355.1036
Annotation	Gentiopicrin
Peak:m/z	Relative Intensity
56.98653	1.0
57.03458	4.7
59.01383	5.0
59.96239	0.9
71.01381	1.5
72.99269	1.3
73.02979	1.3
81.50331	0.9
83.01390	1.3
85.02950	24.5
87.00856	7.1
89.02437	1.3
89.65831	0.9
98.00584	1.0
99.00883	2.0
101.02402	1.7
106.45971	1.0
110.47948	1.0
111.00839	1.9
119.05016	76.1
129.01921	20.2
134.03749	5.5
145.02995	1.2
159.03006	4.3
163.04008	100.0
175.04034	1.3
191.05632	8.8
193.05058	5.8
209.06671	90.3
218.17380	1.1
239.55800	1.2
282.41296	1.2
355.10349	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	355.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69908	1.6
57.03442	8.5
59.01394	2.0
68.99821	2.4
69.03437	3.2
69.69633	1.5
71.01376	8.9
72.99308	4.4
85.02947	37.7
87.00861	11.9
97.01806	1.7
97.02936	8.8
99.00864	4.6
111.00867	3.5
113.02447	1.6
115.04023	7.1
119.05022	68.7
129.01938	29.0
145.02960	2.8
159.03035	3.3
163.04013	100.0
173.91095	1.9
181.50880	1.8
191.05577	9.3
209.06679	92.6
209.18275	2.1
213.86191	2.2
355.10397	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	355.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85723	0.9
59.01400	2.0
65.44431	0.9
74.88074	1.0
78.95924	2.1
85.14017	1.1
97.06586	6.3
110.98540	2.6
116.26086	1.1
118.05142	1.7
125.09715	100.0
163.03987	1.5
167.01227	2.5
169.08696	2.8
185.02196	5.5
187.09767	93.8
209.06693	1.3
213.35931	1.1
254.11403	1.3
355.11679	68.1
355.15735	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	355.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50903	0.5
55.75532	0.6
59.01381	0.7
68.86384	0.6
71.01377	1.1
74.86228	0.6
78.95910	8.9
79.72799	0.6
84.69079	0.7
85.02924	0.8
95.08771	0.7
97.06580	6.0
100.52031	0.7
110.98535	15.9
118.05069	1.5
119.91054	0.7
123.08169	2.6
125.09711	100.0
143.10793	0.7
152.99565	3.4
167.01157	13.9
169.08723	4.0
185.02220	3.3
187.09769	66.7
307.06226	0.7
355.11670	59.7
356.49573	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1249
Annotation	galactopinitol A
Peak:m/z	Relative Intensity
55.01878	2.1
57.03455	8.6
59.01101	1.5
59.01382	32.0
66.24577	0.7
71.01379	22.1
72.99303	5.1
73.02936	9.1
74.02470	1.6
75.00848	1.1
83.01379	3.8
84.02119	1.0
85.02946	100.0
87.00887	6.0
89.01885	1.2
89.02437	19.1
95.01366	1.7
99.00868	1.2
101.02445	21.2
101.44813	0.8
103.00352	1.0
111.00852	1.2
113.02446	20.5
115.00375	1.2
119.03491	7.2
119.05009	4.2
122.17896	0.8
129.01944	7.8
131.03499	5.3
133.01442	1.6
134.47502	0.7
143.03470	0.8
147.02991	8.2
149.04517	1.4
151.95015	0.9
157.01381	1.3
161.04562	11.0
163.03989	1.9
165.04066	1.6
175.02477	6.1
175.07210	1.0
179.05638	4.5
191.01991	24.2
193.07217	17.5
209.03049	25.0
264.99869	9.3
268.99911	1.0
354.99628	7.6
355.06033	2.2
355.08676	3.7
355.12552	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	355.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39544	0.9
61.81458	1.0
63.44645	1.0
66.39886	0.9
67.11116	1.0
68.37674	0.9
84.93858	8.3
89.58932	1.0
92.22431	1.8
99.92581	47.1
100.93352	16.8
103.10688	1.0
115.92081	15.5
116.92855	100.0
117.62109	1.0
133.10580	1.2
133.97156	1.2
201.99867	1.0
225.22380	1.4
239.48724	1.2
311.16629	1.1
355.15854	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	355.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.9
57.03455	7.9
59.01384	98.4
63.29336	0.5
66.60056	0.7
70.40534	0.7
71.01388	9.1
72.99305	1.5
73.02940	3.5
75.00881	0.9
79.95731	5.0
83.01373	1.3
84.02184	0.9
85.02946	100.0
87.00873	1.1
89.02457	3.3
93.86775	0.7
95.01392	0.8
95.87700	0.7
98.39209	0.7
99.00903	3.2
101.02441	9.1
103.00359	1.7
107.49105	0.8
111.00915	1.1
113.02443	4.1
114.05580	7.6
118.05109	3.6
119.05000	3.8
124.99113	6.5
127.05154	1.1
129.01953	5.8
133.01425	1.5
133.02980	4.5
134.03741	9.9
141.12224	0.7
147.02991	8.2
149.06082	4.2
155.00192	1.1
161.04541	4.1
163.03989	3.4
173.00909	0.7
177.01953	2.8
178.02737	10.3
191.01987	29.1
193.05066	21.3
193.06796	1.2
206.04662	1.0
209.03053	32.7
217.01723	2.7
236.52022	0.8
295.14011	22.1
355.01611	8.4
355.06635	8.5
355.11060	4.3
355.15530	4.0
355.19873	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	355.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65165	0.6
53.71486	0.7
58.02967	3.5
59.01376	1.7
69.06721	0.7
71.20335	0.7
72.50023	0.8
77.96287	0.9
83.06152	2.0
84.04523	1.6
85.02924	1.6
101.07193	6.1
109.04057	7.9
115.65550	0.9
125.03535	1.6
125.07155	1.4
127.05132	46.1
128.03523	14.1
133.06569	1.9
145.06184	49.4
165.12843	8.4
176.70862	1.0
182.15495	11.7
183.13808	1.0
222.15005	1.2
249.19722	25.7
261.08807	1.2
295.77493	1.0
304.81985	0.9
318.71759	0.9
332.86981	1.1
337.17810	9.1
355.18762	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57462	0.5
57.03452	1.6
57.77847	0.6
68.91553	0.5
69.03445	0.7
76.66305	0.6
83.05026	0.7
91.88114	0.6
97.06596	10.3
111.42027	0.6
121.70753	0.6
127.07643	20.8
133.10281	1.0
141.09227	1.3
145.08664	5.2
151.11288	100.0
195.10286	5.3
202.61497	0.7
213.11371	3.7
227.12915	40.9
253.70236	0.7
355.21320	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	355.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10348	1.7
59.01384	80.5
68.90838	1.7
69.27996	1.6
73.48979	1.8
108.88374	1.6
109.06574	6.6
151.11307	10.0
261.18665	2.3
263.16537	9.1
293.21350	2.1
295.19180	9.4
302.97437	2.1
305.17715	2.1
337.20184	3.7
355.21320	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	355.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23602	1.2
59.01379	75.3
70.91975	1.3
81.03466	2.4
92.22404	1.9
95.05035	2.1
123.08165	1.7
124.63042	1.3
125.09713	2.1
128.73827	1.5
153.12854	1.4
163.11104	1.4
173.00760	1.4
179.14435	5.7
204.31044	1.3
205.16039	2.1
211.66980	1.5
219.17592	2.4
237.14925	2.0
245.15431	1.7
249.18410	1.6
261.18573	2.2
263.16733	2.2
277.17963	1.5
293.21280	8.9
295.19165	12.4
311.22272	5.4
319.23129	1.8
348.30975	1.7
355.21313	100.0
355.25089	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	355.228
Annotation	Estradiol valerate
Peak:m/z	Relative Intensity
59.82920	2.0
85.86805	2.3
95.35327	2.5
105.65285	2.4
106.05566	2.4
122.03760	2.7
129.30022	2.4
135.04495	12.1
153.41383	2.7
163.11273	30.6
164.08409	5.4
177.09204	34.5
178.09969	4.7
179.10771	77.7
184.02014	2.4
191.10809	5.1
218.25047	2.6
220.87378	2.8
225.22125	2.8
261.13022	2.7
269.21252	4.1
298.15622	29.7
337.21838	47.0
340.20432	85.9
355.22803	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	355.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.8
60.52402	0.7
63.48176	0.6
82.81492	0.7
85.06566	5.2
92.23188	0.9
99.08155	1.4
111.08125	0.8
127.07638	1.6
129.09215	34.3
134.57021	0.6
141.09209	12.6
147.77878	0.8
153.12801	0.8
155.10777	1.6
181.12434	1.0
185.20512	0.8
193.12390	3.6
193.15976	1.2
209.15428	0.8
210.91095	0.6
213.14966	42.7
219.13965	0.8
225.14977	36.2
228.29753	0.7
237.14977	60.3
237.18503	7.1
239.26645	0.6
249.19193	0.6
255.16075	6.5
263.16550	0.8
266.15292	0.7
271.64456	0.7
279.19653	20.5
305.17715	0.9
309.20749	0.8
319.22775	5.2
323.18756	4.1
337.23874	6.8
342.18387	0.7
355.21118	24.0
355.24945	100.0
378.01126	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.3219
Annotation	22-Hydroxydocosanoate
Peak:m/z	Relative Intensity
64.34481	0.6
65.06151	0.7
82.67554	0.7
85.90695	0.7
106.06839	0.7
182.12036	0.7
236.18129	0.7
251.22530	0.8
258.54507	0.7
281.28485	0.9
298.34586	0.8
307.30115	3.6
309.31665	86.3
314.96906	0.8
337.31161	3.3
355.32196	100.0
360.95587	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58522	0.4
71.44733	0.3
96.05337	0.4
100.18502	0.3
111.51514	0.3
117.30408	0.3
138.54280	0.3
138.71407	0.4
138.86667	0.3
206.93645	0.4
210.23317	0.4
234.68915	0.4
240.91762	0.3
251.14748	0.3
309.31671	4.2
317.10092	0.4
337.31335	0.7
353.30521	0.4
355.32202	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.0987
Annotation	cyclo-Dopa 5-O-glucoside
Peak:m/z	Relative Intensity
56.75647	0.6
61.54276	0.7
61.98831	4.0
65.41236	0.7
79.22140	0.7
84.13030	0.8
85.02943	3.1
86.03264	1.1
108.04548	87.4
125.19697	0.8
134.03719	4.5
135.04080	4.7
149.06088	1.6
150.05594	100.0
178.02547	1.0
193.05083	4.4
194.05368	5.1
222.12508	1.1
248.20279	0.8
288.14188	0.8
295.42142	0.9
338.69360	0.8
348.97229	0.9
356.09949	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	356.107
Annotation	rosiglitazone
Peak:m/z	Relative Intensity
56.84164	0.9
57.03446	1.8
59.99590	0.9
68.05951	1.0
70.06345	0.9
70.30755	0.9
71.01397	1.2
72.99309	1.2
77.20765	0.9
79.70363	1.0
85.02939	20.4
86.03268	5.3
87.00867	2.2
89.96413	1.0
99.00861	4.6
119.05014	63.8
120.05351	62.6
129.01920	9.3
130.02284	4.7
134.03734	1.8
135.04080	1.1
159.02979	1.7
163.04007	82.3
164.04343	100.0
191.05609	6.1
192.05957	1.6
194.05415	2.6
202.76543	1.1
209.06685	34.5
210.07018	30.6
275.37100	1.2
313.82727	1.1
320.15302	1.1
356.10733	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	356.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50304	1.7
50.59449	1.7
53.65104	1.5
54.92472	1.7
57.03448	3.0
59.01370	3.9
61.44084	1.7
75.00870	2.5
85.02933	21.6
86.03279	7.0
87.00840	3.9
99.00858	2.8
119.05014	56.8
120.05343	56.3
129.01926	4.2
130.02301	2.3
134.03731	4.9
135.04068	10.2
154.74376	2.2
163.04004	85.7
164.04340	100.0
179.03162	2.4
179.05608	12.8
191.05682	3.1
192.05942	2.9
193.05089	7.3
194.05447	13.9
209.06653	33.7
210.07077	25.3
291.90845	2.0
356.10910	17.7
365.80954	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	356.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33921	0.8
58.30282	0.8
66.02773	0.9
73.49509	0.8
75.15679	0.8
75.16129	0.9
81.16861	0.8
90.51934	0.8
92.23072	0.9
102.05603	47.8
109.74215	0.9
128.02585	1.8
128.03537	54.9
131.87166	0.9
146.04593	100.0
165.12788	8.3
166.57912	0.9
183.13907	16.5
188.28127	1.0
207.80128	0.9
209.11850	1.0
209.71155	1.1
227.12894	5.8
338.16208	1.1
339.09070	0.8
356.17212	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	357.109
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18586	1.6
57.03455	4.1
59.01381	10.1
59.17754	1.7
61.08588	1.8
66.90115	1.8
71.01368	2.2
72.56268	1.8
72.99313	2.7
83.01404	2.2
85.02946	35.9
86.03281	9.5
87.00864	11.3
87.03382	4.1
88.01230	2.3
92.22547	2.6
97.02968	2.0
99.00883	4.3
99.37627	1.7
101.02480	1.9
119.05022	77.4
120.05351	39.2
121.05632	22.5
129.01933	18.7
130.02235	7.8
131.02402	11.4
136.00076	1.8
151.07640	3.8
152.07962	2.3
153.01903	11.6
153.08247	2.1
159.02939	3.1
160.03392	1.8
161.03459	2.3
163.04007	97.2
164.04352	50.8
165.04515	58.3
191.05612	8.2
192.05824	1.8
193.06155	7.0
194.05496	2.1
209.06660	46.7
210.07045	45.2
211.07143	100.0
251.75813	2.0
305.12646	2.1
357.10992	34.1
357.21219	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	357.1194
Annotation	Sweroside
Peak:m/z	Relative Intensity
50.59010	0.4
51.81972	0.3
59.01104	0.7
59.01381	12.8
63.62836	0.4
71.17388	0.4
74.02454	0.4
75.44263	0.4
79.75585	0.5
85.02962	0.6
98.04375	0.6
123.04518	3.3
124.01691	0.9
126.70329	0.5
134.03668	0.7
135.04527	7.3
136.05299	7.2
137.02422	0.5
149.06049	0.8
151.03986	1.8
151.07643	4.9
153.01929	0.7
177.05611	0.6
180.04318	0.7
195.06639	100.0
272.17224	0.5
307.74811	0.6
313.09335	0.6
357.08344	0.6
357.12021	6.4
357.21671	1.0
379.30212	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48495	0.4
54.87669	0.5
55.43962	0.5
59.01381	2.7
66.20305	0.5
71.01392	0.5
81.10714	0.5
82.52749	0.5
121.02940	3.0
122.03692	5.1
136.01657	57.4
137.02492	0.9
151.04001	100.0
160.05315	1.0
163.03984	0.7
177.05528	1.1
189.05666	0.6
311.12982	0.6
342.10965	4.4
357.13458	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	357.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.3
108.02160	1.7
113.77250	0.8
118.33071	0.7
119.16059	0.8
121.02954	3.0
122.03738	6.8
123.04510	1.6
129.09380	0.8
136.01654	57.4
137.02399	3.1
151.04001	100.0
159.04483	1.3
160.05267	3.5
162.03134	0.8
163.04013	0.9
163.26947	0.8
174.03154	1.2
175.03995	1.6
175.07576	1.6
176.04913	0.8
177.05588	6.4
178.06319	1.4
187.04060	0.9
188.04817	1.6
189.05669	0.9
190.06401	1.6
191.07085	1.3
192.08051	1.1
203.07101	6.4
206.05840	1.6
210.05406	1.0
221.08214	3.3
224.06918	2.5
227.38182	0.9
242.81786	0.8
250.37781	0.8
268.83194	0.7
269.08359	1.8
279.06549	1.8
281.08157	3.4
295.09796	0.9
297.07724	11.9
309.07816	14.8
309.11115	1.9
312.10034	4.5
324.10370	5.9
324.13708	0.8
327.12457	15.3
339.12402	12.4
342.11053	5.3
357.13452	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	357.1346
Annotation	Matairesinol
Peak:m/z	Relative Intensity
53.35522	1.6
67.52547	2.0
72.02117	1.8
78.10483	1.9
78.90977	1.8
91.83469	1.9
97.11031	1.9
107.43596	1.7
108.02177	10.3
113.85825	2.0
121.02972	3.0
123.04506	13.4
145.02982	2.2
148.05359	2.2
159.04523	4.3
160.05298	16.4
174.03230	9.3
175.04005	4.5
175.07674	3.6
176.04750	3.4
177.05566	36.5
178.06325	16.2
187.03999	3.2
188.03108	1.9
188.04741	18.6
190.06412	14.4
191.07140	12.7
192.07912	17.1
203.07132	33.8
206.05869	13.5
210.05336	7.8
212.43655	2.4
219.06638	2.4
221.08211	26.7
222.05301	4.4
224.06979	15.8
261.05560	2.2
263.07071	4.3
267.06717	2.9
268.10724	2.5
269.08206	16.2
279.06610	8.3
281.08157	22.9
283.09683	4.2
291.06531	2.6
292.07309	2.6
293.08185	9.5
294.08990	8.9
296.10461	4.6
297.04514	3.6
297.07715	70.9
308.10501	2.5
309.07742	100.0
309.11264	8.3
311.09171	2.6
312.10104	37.8
313.10895	3.5
319.15341	2.0
323.09235	3.5
324.10037	33.5
327.12384	86.3
339.12421	86.4
357.13477	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	357.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30458	0.4
60.41492	0.4
69.55233	0.5
74.44047	0.4
121.02937	3.6
122.03734	4.8
123.04542	0.5
134.03777	0.6
136.01660	57.2
137.02406	1.7
151.04005	100.0
160.05347	1.8
162.03255	0.9
162.31160	0.4
163.03969	0.8
175.03923	0.5
175.07588	0.8
177.05588	1.1
177.32468	0.5
179.03473	0.8
184.30200	0.5
210.21835	0.4
259.14197	0.5
342.11121	3.5
357.13455	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	357.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19665	0.7
53.00671	0.7
58.02988	2.8
59.01384	0.9
63.05442	0.7
67.09875	0.8
69.03466	1.1
70.02967	0.9
72.00903	1.9
72.04547	8.8
73.02950	1.0
74.02470	79.8
81.03452	1.0
83.05016	1.0
92.22466	0.8
94.92541	0.8
98.27299	0.8
99.04453	0.9
100.00430	1.0
109.06565	4.2
112.56750	0.9
116.05048	30.8
125.09705	0.9
126.09233	3.3
130.06572	1.1
137.06117	1.0
138.09184	3.7
140.10788	1.0
142.06622	5.2
144.39560	0.9
159.09277	10.7
166.08708	9.9
170.04420	1.0
171.10252	3.9
184.09787	14.5
185.11807	1.2
186.05579	1.8
197.11884	3.4
201.11409	1.3
203.08282	74.8
209.11804	7.3
213.11378	3.7
221.12001	1.5
225.11322	1.0
239.12735	1.1
257.13904	1.4
269.16733	1.4
269.67395	0.9
285.15158	0.9
303.16125	0.9
313.15607	33.8
321.17154	1.5
339.13324	6.8
357.14639	100.0
357.19122	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	357.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
71.01375	3.8
73.02930	0.6
82.18450	0.5
85.02964	2.1
89.02441	0.7
90.86510	0.5
99.00855	0.6
101.02445	2.4
113.02449	2.0
123.04516	0.5
125.21136	0.5
149.02446	5.5
150.29645	0.4
161.04601	3.6
167.03500	1.8
195.06755	2.0
203.71237	0.5
219.31232	0.4
222.40874	0.5
297.13422	5.9
357.11380	0.8
357.15607	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	357.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98592	0.4
59.01382	100.0
63.95259	0.3
66.55918	0.3
71.01369	3.5
73.02966	0.7
80.30955	0.4
85.02986	1.5
89.23209	0.4
90.96258	0.4
101.02452	2.6
113.02417	0.6
130.08722	0.4
136.01672	1.7
137.83673	0.5
144.11842	0.4
151.04041	3.6
161.04585	2.0
275.12286	0.5
297.13467	7.7
321.85806	0.5
357.13809	2.6
377.44406	0.5
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	19-hydroxy-2,3-dinor-6-oxo-PGF1alpha
Peak:m/z	Relative Intensity
59.01381	100.0
62.24277	0.6
71.01370	7.4
72.82980	0.6
73.02936	1.1
83.01382	0.9
85.02953	4.7
89.02425	1.2
92.22457	0.8
93.44235	0.7
95.01395	0.7
99.00864	1.3
101.02430	3.9
113.02415	3.7
133.46794	0.6
150.92764	0.6
161.04567	2.9
189.37289	0.6
260.23749	0.8
315.18100	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	357.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45503	0.9
57.82299	0.8
59.01382	100.0
65.89337	1.0
68.31254	1.0
71.77194	1.0
91.57787	1.0
92.45843	1.0
99.25683	0.9
101.67879	1.2
112.47574	1.0
119.77878	1.0
137.55038	1.2
181.12288	1.1
209.11873	2.2
223.13405	9.8
288.86142	1.0
297.17212	7.3
297.19949	1.0
357.22891	5.2
363.11835	1.1
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	19-hydroxy-2,3-dinor-6-oxo-PGF1alpha
Peak:m/z	Relative Intensity
57.32460	3.7
59.01381	100.0
71.01385	6.3
80.54835	3.9
89.91115	4.1
99.00864	7.9
110.75379	3.9
125.09691	5.5
168.81932	4.5
171.10289	22.9
183.17039	4.5
197.11812	4.9
201.11359	6.3
221.15410	8.9
239.16545	23.9
269.17645	5.9
357.19272	51.5
357.22873	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	357.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47524	2.0
74.02457	33.3
77.70663	2.1
78.95895	3.7
80.99167	2.4
88.04027	17.6
96.96007	3.3
99.58292	2.5
101.07185	26.9
103.74725	2.3
110.71199	2.5
114.05541	3.0
115.08750	26.4
127.05145	3.4
129.10312	11.0
130.08775	2.8
165.42012	2.3
173.50098	2.5
183.15164	2.6
189.45682	2.3
200.14082	2.8
205.07227	4.8
211.14465	9.5
214.15611	23.6
228.17201	3.5
242.18739	3.6
280.23706	2.8
313.22342	4.7
357.17990	3.9
357.21469	100.0
357.25073	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	357.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71955	0.7
57.03442	1.4
59.01384	1.9
60.92347	0.7
63.94485	0.7
69.03454	0.7
70.95179	0.7
71.05014	0.8
72.64175	0.8
77.30937	0.8
81.03445	1.0
83.05022	3.0
84.02166	4.3
85.02934	1.6
85.06577	0.9
87.04523	1.5
95.05023	3.3
97.06575	1.5
99.04494	0.9
109.06550	1.0
112.05291	1.9
113.06068	1.5
118.22900	0.8
123.04534	1.1
125.09713	1.7
127.11308	0.9
134.06151	0.9
135.08147	3.1
136.69296	0.8
136.90318	0.7
141.05556	1.6
151.11290	0.9
153.09198	1.1
163.11267	0.8
165.12837	0.8
171.10266	32.3
177.12767	0.9
183.13966	1.4
185.11853	1.9
193.12328	7.0
193.61217	0.9
197.11816	9.6
199.13432	1.9
200.15450	0.8
201.11311	4.3
209.11847	1.6
211.13397	21.4
219.13780	1.3
221.11847	0.9
222.90741	0.9
224.17700	3.3
225.11319	1.2
225.14854	6.1
227.13040	1.4
229.14456	6.1
235.45551	0.8
237.15118	1.3
239.12756	0.9
243.15996	3.3
251.16469	1.3
269.17685	3.8
289.18045	1.2
321.16846	1.5
339.21637	2.6
357.19550	4.2
357.22870	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11171	0.5
57.03434	0.4
65.55370	0.5
66.95031	0.4
80.55079	0.5
84.35885	0.5
97.06553	1.2
100.90008	0.5
111.08121	2.5
113.60200	0.6
125.09716	31.0
125.10637	1.1
126.12386	0.5
142.12375	1.1
151.04062	1.0
168.10226	0.8
169.08823	1.1
172.09784	6.9
186.11357	100.0
206.16325	0.5
238.54213	0.5
247.62109	0.6
285.09174	0.5
308.27716	0.6
341.71808	0.5
357.19431	1.1
357.23862	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.265
Annotation	Unknow
Peak:m/z	Relative Intensity
68.49809	0.5
69.74101	0.5
70.26136	0.6
85.32288	0.6
92.94739	0.6
96.56782	0.6
99.08160	6.4
113.94621	0.6
121.09223	0.5
127.11327	0.7
134.84853	0.5
135.01404	0.6
139.11307	6.5
151.33737	0.7
155.14439	1.0
180.65388	0.6
183.17584	0.6
195.17583	0.8
199.13428	11.3
209.11823	4.2
211.17101	7.4
221.15485	4.4
234.62674	0.6
237.14980	2.9
239.16550	47.0
241.14549	2.2
257.17599	22.0
307.19238	1.0
340.45148	0.6
357.26520	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	357.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18042	1.1
59.01376	1.5
60.96727	1.1
63.67110	1.2
65.46431	1.4
66.78243	1.3
68.93890	1.3
73.32858	1.2
99.08135	3.1
105.21970	1.2
129.09233	10.7
175.81227	1.2
176.09277	1.3
185.11826	2.3
193.61630	1.3
197.15469	5.3
209.15536	1.9
211.17015	2.5
215.61372	1.3
221.15442	2.3
225.15060	3.1
227.16527	29.2
239.16519	23.3
321.24503	8.9
328.84714	1.6
339.25140	1.9
352.88525	1.4
357.22818	5.9
357.26529	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	357.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11150	0.7
52.95946	0.7
57.64538	0.6
58.00594	1.0
59.01371	1.6
60.68649	0.8
93.59409	0.8
99.08183	7.3
113.09784	0.9
121.02967	0.9
127.07658	1.2
129.09224	10.2
197.15492	4.6
209.15431	6.3
210.21162	0.8
211.17000	1.3
221.15427	1.5
223.13260	0.9
225.15001	3.7
227.16547	30.9
239.16559	23.4
255.15953	1.1
257.17532	1.3
259.55685	0.9
264.33810	0.9
321.24362	5.6
339.25504	1.6
357.26526	100.0
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
54.34863	76.1
54.70406	81.6
80.29375	82.2
92.06288	87.7
100.01909	79.5
119.64719	85.1
159.31027	95.8
199.73648	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38581	18.3
56.80665	17.1
72.76927	20.3
73.35611	20.8
75.62196	22.8
110.55524	19.5
119.20578	20.1
125.87707	19.6
204.96329	21.6
219.58171	21.5
357.20831	100.0
357.26663	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	357.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70983	0.5
59.01382	100.0
60.01716	10.4
61.36963	0.5
67.59630	0.6
71.62399	0.6
108.42637	0.7
130.13260	0.7
172.38211	0.6
175.58424	0.6
191.15808	0.6
235.83614	0.7
346.92218	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16361	0.7
54.70826	0.8
55.04735	1.0
59.01384	14.8
61.98833	0.8
71.01364	1.8
72.00903	5.7
83.03656	0.9
87.00852	4.7
89.02437	1.2
96.00892	1.7
101.02456	1.6
102.05615	1.1
107.34721	0.9
110.29691	0.9
113.30716	0.9
120.01305	1.1
121.05336	3.8
122.06077	3.6
128.03545	4.3
136.04044	15.0
137.04842	1.1
147.04515	24.0
148.04114	1.2
149.04805	26.9
150.05598	14.3
164.03543	4.2
164.07173	87.1
177.04321	55.1
178.05089	49.3
181.03880	4.1
196.03325	1.2
211.14465	1.1
300.28851	1.0
340.10294	13.1
358.11508	100.0
358.18961	2.8
358.20132	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	358.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32591	0.6
63.53909	0.5
72.00904	7.6
73.44782	0.6
98.63723	0.7
137.02452	0.6
147.04518	34.0
164.07170	100.0
177.04309	1.4
178.05106	3.0
262.54810	0.7
308.69278	0.6
315.53467	0.7
341.56567	0.8
358.05469	1.3
358.11404	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1988
Annotation	Leu-Leu-Asp
Peak:m/z	Relative Intensity
54.90657	1.0
71.01379	17.6
74.02467	5.7
76.07084	0.9
78.87051	1.1
79.84347	1.1
81.51440	1.0
85.02903	0.9
86.64503	0.9
88.04033	32.9
115.00356	29.4
129.10336	17.2
130.08694	4.5
132.02985	8.5
136.38643	1.1
139.08815	1.4
157.13499	1.9
166.06978	1.1
166.08803	1.1
172.62228	1.0
197.16582	4.4
199.18173	4.6
201.12363	1.5
224.17633	1.4
225.16080	10.5
242.18765	81.9
243.17134	15.5
263.93030	1.4
270.21844	1.7
301.17676	1.9
314.20880	5.0
358.19864	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	358.1988
Annotation	Val Ile Glu
Peak:m/z	Relative Intensity
57.23967	0.9
59.01370	1.2
60.62781	0.7
68.49793	0.9
69.85554	0.8
73.05491	0.9
78.31757	1.0
84.04552	8.8
91.60065	0.9
99.30753	0.9
102.05605	38.3
115.08772	8.6
116.07177	6.6
116.92855	5.6
125.07257	1.3
128.03529	60.0
130.08745	6.1
146.04568	16.8
171.14970	8.5
181.13463	2.0
183.15025	5.4
183.77676	1.1
185.16603	5.0
211.14532	25.4
215.14029	1.0
223.10823	4.3
227.16405	1.0
228.17128	11.4
229.15550	30.4
229.17647	1.5
254.18651	1.4
270.21857	5.1
286.91840	1.0
311.80786	1.0
312.77808	1.4
314.20801	7.9
357.98111	2.3
358.05545	1.5
358.19870	100.0
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
54.33879	0.3
59.01383	100.0
59.84496	0.4
65.35002	0.4
67.79559	0.4
92.23052	0.7
99.23061	0.4
156.12155	0.5
162.60268	0.4
166.47406	0.5
211.53178	0.6
294.77155	0.5
296.26004	0.6
298.27530	0.6
307.49844	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	80.9
84.55319	1.1
124.05829	1.1
157.03491	2.1
174.99243	36.8
181.95427	1.1
201.02568	27.6
210.07948	1.1
217.00305	100.0
224.21886	1.0
256.87711	7.4
272.90982	1.5
274.88739	22.3
298.88623	4.9
316.89841	28.0
317.00714	5.1
359.01639	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	359.0479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88169	0.5
59.01381	100.0
67.18829	0.5
82.54467	0.6
92.23091	0.8
117.58193	0.6
140.80188	0.6
150.98857	2.6
208.97545	0.9
230.80717	0.7
266.96295	1.5
282.99506	16.4
299.02664	38.2
301.00595	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	359.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.7
62.73919	0.5
66.46677	0.5
71.01374	1.1
110.98526	0.9
123.00869	13.8
138.03224	65.1
140.01144	2.7
153.05568	31.0
155.03513	2.3
165.01956	0.6
166.99823	4.7
182.02216	55.5
197.04565	100.0
206.13939	0.6
288.27704	0.5
303.96866	0.8
359.05798	1.2
359.09851	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	359.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	29.3
71.01382	2.8
72.99319	3.3
74.02467	2.7
74.16032	1.3
84.41856	1.6
85.02954	3.4
87.05650	1.6
88.04032	3.0
105.91329	1.5
109.01683	1.8
111.00739	1.4
118.05105	3.0
123.00838	12.3
128.03494	1.8
130.09851	1.6
137.06094	21.9
138.03229	70.4
153.05563	24.1
166.99847	6.6
179.03516	5.9
182.02228	55.0
190.54143	1.5
197.04573	100.0
203.08258	2.2
208.11804	1.7
211.93916	1.5
242.11337	1.4
299.11551	1.8
315.16742	3.2
341.14618	2.3
350.12375	1.5
359.09955	25.4
359.14261	2.5
359.18750	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	359.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43710	0.8
56.69772	0.8
71.01389	1.5
72.00904	1.6
72.99303	59.9
85.26734	1.0
88.15353	0.9
92.22525	1.4
96.05937	1.0
97.90266	0.9
118.69229	1.1
123.04516	16.3
124.57719	1.0
125.30328	0.9
135.04514	21.1
137.02435	1.9
179.01915	1.8
179.03499	56.8
197.04564	100.0
219.08139	2.1
237.09175	8.0
252.10391	1.2
254.11845	1.6
256.07663	1.3
280.09641	2.1
281.08215	2.3
285.10086	1.6
324.08841	1.4
341.11435	5.3
342.09720	1.8
346.66882	1.3
359.09378	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	359.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
65.67980	0.9
69.94357	0.9
70.70671	0.9
71.01364	1.6
72.74329	1.0
72.99306	66.0
73.09710	0.9
81.89543	1.0
88.04030	2.0
93.03451	1.3
106.45503	1.1
114.01995	1.5
115.00332	1.7
123.04511	21.5
129.10335	1.4
130.08757	1.1
131.04640	1.3
134.03693	1.0
135.04539	29.9
137.02441	5.0
138.03241	2.0
140.01135	8.7
140.80531	1.1
145.06209	4.1
149.06079	2.0
151.03978	1.4
153.01924	2.1
155.03519	11.6
161.87123	1.0
179.03505	63.8
182.02196	2.2
196.14639	1.3
197.04575	100.0
208.10962	1.4
209.09254	1.2
225.13559	1.5
227.08813	1.3
240.96048	1.0
253.16708	1.0
280.06860	1.1
283.01547	1.3
293.47064	1.1
315.20428	1.7
341.14795	1.7
359.09879	71.6
359.15591	6.9
359.19485	4.3
359.23080	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	359.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80916	0.8
56.03996	0.7
59.01381	0.9
60.13005	0.9
66.87765	0.9
71.01379	1.9
71.68962	0.8
72.00906	9.8
72.99303	32.9
75.72734	0.9
89.02557	0.8
97.12677	1.0
99.00864	2.2
113.19193	0.9
121.02952	5.9
123.04549	10.5
129.01945	1.0
135.04527	13.8
177.04091	1.6
179.03494	33.0
181.05083	1.4
186.10106	1.1
187.24109	0.9
193.06668	1.3
195.05170	1.6
197.04565	55.3
207.08162	5.0
211.07675	1.6
219.08118	14.1
224.08475	7.9
225.09259	3.8
228.10193	1.1
237.09229	34.7
239.09550	1.5
240.10170	1.2
241.11008	1.7
250.06346	1.1
251.07108	1.1
252.10384	12.1
254.08115	1.8
254.11867	12.2
256.07440	4.4
263.07095	7.4
267.09070	1.3
268.07364	1.9
268.09918	1.4
273.09940	1.0
280.09756	11.0
281.08221	18.9
285.10202	6.8
296.09390	2.1
297.07739	1.8
298.10953	9.4
300.06433	2.0
313.11880	8.3
317.09088	2.2
324.08798	8.7
341.11447	18.5
342.09906	4.6
359.08981	17.0
359.13113	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
59.77176	1.7
69.70681	1.6
71.01382	46.4
72.99329	2.2
73.02963	2.1
80.07796	1.9
81.81109	1.7
83.01377	2.8
85.02960	11.2
87.00865	2.0
89.02438	54.5
101.02441	36.3
108.04592	2.1
113.02424	24.5
119.03490	19.2
119.05016	18.1
122.03765	2.1
130.08760	3.6
131.03419	2.8
137.02446	4.6
137.06131	2.0
140.40685	2.1
151.05995	2.6
153.01938	2.1
154.52673	1.9
161.04550	3.8
163.39648	2.0
179.05623	8.5
179.07034	2.6
182.05859	12.0
182.10609	2.1
197.08203	35.6
219.87103	1.9
227.52846	1.9
241.15628	3.3
299.11395	59.9
327.10883	3.3
359.09418	3.3
359.13519	49.3
359.18491	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	359.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71441	0.3
52.86125	0.3
58.58028	0.4
59.01383	35.9
61.41533	0.4
71.01374	1.0
85.02959	0.4
89.02477	0.6
92.22524	0.4
94.29975	0.4
101.02464	0.5
101.29654	0.4
107.05019	12.5
107.05694	0.8
117.53988	0.4
119.05018	16.7
133.06990	0.5
137.06081	100.0
142.35786	0.4
153.15680	0.5
172.26416	0.5
183.29161	0.5
211.09840	1.7
223.11809	0.5
237.07837	0.5
277.12500	0.5
299.11380	3.5
359.09259	0.8
359.13373	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	359.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39586	1.0
51.33556	1.0
55.72804	1.1
59.01375	1.6
62.82750	1.1
66.89112	1.4
71.31861	1.1
74.02466	42.9
83.04986	1.5
91.61304	1.2
111.08147	34.3
116.05048	12.7
128.10797	2.8
142.06598	1.8
159.09332	2.6
168.10295	8.4
173.08255	1.9
186.11415	2.5
203.06525	2.0
203.08302	45.3
212.09222	5.3
230.10365	12.6
350.70084	1.7
359.16162	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28931	0.4
53.27477	0.4
53.88173	0.5
56.07773	0.5
63.55236	0.4
74.88619	0.5
92.22466	0.6
93.07078	0.7
103.71286	0.5
111.08120	1.1
131.03445	0.7
143.73134	0.5
149.04553	4.3
165.12842	18.7
183.13898	100.0
190.44481	0.5
209.11913	1.2
218.49899	0.5
227.12895	30.1
230.14365	0.6
332.03177	0.5
342.32291	0.6
359.17163	34.4
359.28021	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32299	0.5
64.27979	0.5
67.10953	0.5
92.23178	1.1
131.03520	0.6
149.04550	9.5
157.46786	0.5
165.12845	18.9
183.13902	100.0
209.11940	1.0
227.12897	46.5
271.99756	0.6
359.17087	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	359.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
92.92627	0.7
149.04538	6.8
165.12822	21.7
183.13902	100.0
209.11806	2.6
227.12909	37.9
231.11354	0.7
359.17148	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	359.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99178	1.3
58.00593	1.3
59.01377	6.7
65.71412	1.6
73.90793	1.8
74.16973	1.9
82.03976	1.5
83.05035	2.1
87.00851	12.3
117.68122	1.5
118.05060	1.9
122.98835	1.7
135.08087	1.7
135.19695	1.7
165.12738	2.3
179.14421	8.5
183.13921	9.0
185.15486	2.3
195.13957	3.9
205.12228	3.6
209.11867	2.3
211.13414	96.8
213.14973	60.4
223.13408	34.4
232.71106	1.8
233.11852	9.4
235.13321	3.0
239.12805	2.5
241.14464	100.0
251.12894	49.1
253.14479	10.9
259.13412	10.3
269.13986	10.9
271.15430	1.9
277.14560	17.7
305.14023	13.3
323.14929	10.7
331.17651	4.0
341.12137	2.1
341.19836	2.7
359.17010	11.6
359.20825	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	359.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.8
57.99324	1.5
58.02983	1.6
59.01381	0.9
59.98509	1.0
62.33125	0.6
66.49297	0.6
71.18168	0.7
74.02470	21.6
75.94070	0.8
79.14691	0.7
81.29221	0.7
85.02948	15.4
86.02471	3.6
96.40157	0.7
98.02444	3.2
99.00847	3.2
101.02435	0.9
103.04005	8.7
116.03544	1.1
118.05110	1.2
125.09682	1.3
143.70547	0.7
165.28175	0.9
171.10274	18.9
175.07141	0.8
180.10378	1.2
185.11832	24.0
195.14023	0.8
197.04680	1.1
198.11366	39.7
200.13029	0.9
202.10826	3.0
210.15004	8.8
222.15022	10.2
228.15997	3.9
240.16066	6.3
258.17087	20.0
258.19733	1.2
275.42612	0.8
284.15070	17.7
302.16129	39.7
359.18225	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84703	0.8
53.51303	0.7
58.02971	2.1
70.02966	1.9
74.03593	7.1
86.09246	1.0
96.00880	1.9
98.02456	5.0
99.00880	2.2
106.17067	0.9
111.99290	1.1
118.05097	23.7
118.55019	1.0
133.06163	1.7
139.02133	1.1
149.29523	1.1
155.10817	1.2
170.11871	54.5
175.08379	24.9
180.13951	27.3
182.11861	7.4
183.10284	5.1
197.11844	7.6
198.15002	31.3
200.53949	0.9
206.11847	5.7
213.17101	1.0
223.14575	1.8
224.10828	1.7
224.12926	43.1
241.15596	100.0
250.10867	7.2
272.44620	0.9
296.61496	1.1
335.22256	1.1
341.17993	1.8
359.18280	99.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.7
59.01366	3.5
61.70011	0.8
63.19993	1.0
67.34840	0.8
69.03431	1.0
71.05021	4.2
72.67461	0.9
78.37490	0.8
78.57603	0.9
81.03456	38.1
83.05009	4.9
84.02227	1.5
85.02950	1.8
87.04507	10.4
95.05012	1.6
97.02923	1.3
99.04512	100.0
101.06109	1.0
109.06576	1.5
111.04511	7.0
113.06079	1.4
125.09709	5.6
127.11287	3.6
139.07614	2.1
151.07607	4.7
155.10840	1.2
165.09163	1.5
165.36220	0.9
165.80258	1.1
169.08699	3.9
171.10266	59.5
185.11836	5.3
187.09789	3.2
197.11768	1.7
199.09705	1.4
201.11334	67.3
209.11829	7.7
211.13388	1.6
213.11353	7.9
215.12904	3.9
223.13429	13.8
225.03000	0.9
227.12872	1.5
231.72539	1.0
235.13403	3.5
241.14392	2.1
243.05202	0.9
245.13963	2.2
247.13396	1.0
251.12927	1.7
253.14471	4.4
257.14035	1.0
265.14288	1.5
268.29337	0.9
271.15518	16.0
285.06503	1.8
305.17664	1.2
323.18723	1.6
341.19708	20.5
359.17191	3.5
359.20819	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	359.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75646	0.7
54.29284	0.6
59.01381	19.9
61.74802	0.8
80.33807	0.9
81.63509	0.9
107.93108	0.8
144.36519	0.9
154.47163	0.8
182.40025	1.0
277.21744	100.0
308.32840	0.9
359.22089	54.9
359.25842	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	359.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49955	0.8
62.69985	0.9
71.05013	26.5
79.36514	0.9
97.06579	10.9
102.60008	1.1
115.36734	1.1
134.05328	1.0
216.11620	1.0
223.83478	1.1
249.18581	4.8
267.56638	1.1
275.20288	1.6
287.20288	6.0
303.23331	3.9
341.24896	1.4
359.25958	100.0
384.78696	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	360.0718
Annotation	N(6)-methyl-AMP
Peak:m/z	Relative Intensity
50.09727	0.4
52.11885	0.4
55.55190	0.4
56.88118	0.5
73.02915	0.7
78.95889	4.3
80.34204	0.4
87.03882	0.5
107.03614	1.0
110.98527	6.9
113.33833	0.4
134.04723	100.0
142.85190	0.5
161.39996	0.4
192.99106	0.9
221.02585	0.5
225.01678	7.1
232.21092	0.5
360.07159	22.2
371.59055	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39096	70.0
55.59118	58.3
56.05963	63.9
62.17521	61.4
62.19527	59.5
82.14975	71.2
84.05038	72.7
86.38372	76.1
94.10807	66.9
95.76283	81.0
150.27942	75.1
183.22946	75.9
190.71068	92.3
202.37764	77.5
202.39940	78.3
205.40852	75.4
219.29066	76.6
228.14757	81.2
285.93222	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09529	0.9
59.01382	20.2
71.01375	6.3
74.02479	1.8
85.02981	3.8
87.00863	1.5
88.18499	1.0
89.02458	1.6
94.02999	1.4
96.04540	2.2
101.02445	5.1
108.04549	100.0
110.02426	1.5
110.06107	17.5
112.04039	4.9
113.02441	2.4
120.04524	5.9
122.06083	8.8
128.03506	2.6
129.03903	1.7
129.33679	1.1
130.08698	3.9
138.05603	10.1
150.05620	2.3
161.04610	2.1
164.03513	1.4
174.09248	1.2
176.03532	2.4
177.04349	6.6
178.05128	9.6
181.08667	1.3
182.99028	1.0
186.09116	1.5
199.09724	1.5
202.07512	4.8
204.10452	1.3
216.76973	1.2
217.09827	90.0
229.09764	11.3
241.65619	1.1
247.10872	24.8
287.10440	1.7
293.85132	1.0
301.12866	4.3
317.11432	33.3
361.10526	72.9
361.14957	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	361.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01102	1.7
59.01383	33.0
62.30615	1.1
64.01912	1.6
65.00317	1.9
71.01375	8.3
73.02930	4.5
80.26722	1.0
83.90450	1.0
85.02950	2.1
87.06813	1.1
89.02468	5.1
89.99841	1.3
90.03463	4.4
92.23118	1.6
101.02424	7.1
113.02512	2.0
118.02152	1.2
118.02975	29.5
119.36836	1.1
138.05580	1.7
141.55087	1.2
150.05624	1.2
161.04561	1.5
162.01991	27.2
171.10335	1.2
172.14537	1.2
181.12166	1.1
189.11679	1.2
190.01407	1.5
194.04608	13.2
198.09218	2.5
199.08757	1.4
199.13435	1.4
213.04323	5.9
214.08827	1.6
215.09567	2.5
225.06731	2.5
230.11856	2.5
238.03787	9.4
239.08234	4.7
240.09082	8.7
242.08298	6.0
243.11581	1.2
255.11423	6.3
257.03287	16.1
258.07547	1.6
267.07825	25.0
270.06497	7.1
271.04889	1.7
274.10889	10.3
286.07257	18.9
299.10266	8.2
311.06989	2.3
317.11371	1.9
318.09875	10.7
319.17706	10.6
320.18945	1.2
343.09406	13.2
348.20517	1.2
361.10446	100.0
361.18054	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	361.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09611	1.1
59.01381	6.6
61.47959	1.2
68.99821	2.1
94.02972	1.4
95.95316	1.3
108.04551	100.0
110.02422	1.5
110.06122	11.9
112.04014	2.1
120.04523	2.1
122.06094	6.9
123.03252	1.3
130.08713	1.4
138.05542	10.0
150.05486	1.8
164.88145	1.2
174.09334	1.9
176.03557	5.6
177.04298	7.0
178.05070	7.4
202.07425	4.8
217.09821	96.9
229.09862	12.3
229.15604	2.6
245.09166	1.2
247.10887	31.7
250.78627	1.5
273.08850	1.5
301.17587	1.7
317.11456	35.7
359.00943	1.4
361.10449	73.9
361.14514	4.0
361.19778	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	361.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28945	1.0
59.01381	5.7
71.01362	1.5
74.02457	1.7
92.22569	1.5
110.06111	8.0
114.94529	1.3
121.05312	2.3
122.06094	17.0
126.44921	1.4
128.47217	1.3
130.67188	1.3
134.06129	3.3
139.69754	1.3
144.04553	5.9
145.05363	16.0
146.06096	6.7
149.25677	1.4
160.04008	24.6
161.04813	24.8
162.01595	1.4
162.05606	34.9
176.03546	3.2
177.04356	2.2
189.04329	100.0
190.05113	2.3
194.37210	1.4
221.03253	7.7
221.06950	27.7
224.80853	1.4
231.11407	3.4
242.11871	1.8
243.11354	5.8
245.09265	1.8
253.05956	5.7
255.11406	23.1
257.09247	3.0
267.11420	43.9
270.06534	2.9
283.10919	2.1
285.08820	11.4
285.12424	15.9
299.10388	11.1
299.13550	1.7
307.37451	1.4
311.10388	25.9
317.11401	5.8
317.15063	14.1
329.11459	18.3
331.13034	16.1
343.13000	67.9
361.14120	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	361.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18732	0.7
52.67078	0.7
53.15932	0.9
59.01377	6.2
60.39804	0.7
65.33389	0.8
71.01380	1.3
82.03006	2.1
97.57943	0.8
101.02442	1.1
110.06100	4.6
114.67271	0.9
121.05302	4.1
122.06099	13.6
144.04529	1.8
145.05338	18.4
146.06116	7.0
160.04034	18.3
161.04811	28.2
162.05608	1.7
176.03583	1.4
177.04317	3.1
188.03574	3.2
189.04327	100.0
190.05118	3.5
193.03760	3.6
201.06799	1.2
203.05856	1.8
221.03532	6.3
221.06929	34.9
221.09026	1.7
231.11446	2.0
242.08247	1.2
243.07784	3.5
243.11388	4.6
253.05969	4.7
255.11409	22.3
257.09372	1.0
267.11401	38.0
270.06424	7.1
271.10861	1.5
283.10889	1.4
285.08875	24.6
285.12411	4.3
285.72351	1.1
287.06824	2.0
299.10449	12.6
311.10437	27.0
317.11447	11.0
317.14838	1.3
329.11450	10.4
331.13016	16.3
343.13013	77.1
361.14148	71.8
384.32385	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33526	0.8
54.95124	0.9
59.01381	12.6
65.61167	0.9
71.01362	4.3
73.02955	8.3
83.01379	1.1
85.02934	0.9
89.02431	1.4
95.22314	1.1
101.02436	6.8
107.95013	1.1
110.06104	3.8
113.02415	1.6
121.05299	2.1
122.06121	11.3
139.07672	2.2
145.05331	20.0
146.06084	7.3
148.57149	1.1
159.96603	1.0
160.04036	18.5
161.04836	30.8
162.05576	1.1
176.03589	2.3
177.04289	1.9
188.03532	2.3
189.04330	100.0
190.05060	3.8
193.03787	5.4
203.05832	2.2
212.49960	0.9
216.97275	1.0
220.06099	1.3
221.03294	6.5
221.06934	35.7
231.11317	3.8
243.11407	6.3
253.05891	7.3
255.11417	20.3
267.11420	39.4
283.10834	1.9
285.12424	4.2
299.10455	8.0
301.12708	1.3
311.10397	23.5
319.14001	4.4
329.11493	11.5
331.13040	19.5
343.13022	98.2
361.14297	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	361.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28945	1.0
59.01381	5.7
71.01362	1.5
74.02457	1.7
92.22569	1.5
110.06111	8.0
114.94529	1.3
121.05312	2.3
122.06094	17.0
126.44921	1.4
128.47217	1.3
130.67188	1.3
134.06129	3.3
139.69754	1.3
144.04553	5.9
145.05363	16.0
146.06096	6.7
149.25677	1.4
160.04008	24.6
161.04813	24.8
162.01595	1.4
162.05606	34.9
176.03546	3.2
177.04356	2.2
189.04329	100.0
190.05113	2.3
194.37210	1.4
221.03253	7.7
221.06950	27.7
224.80853	1.4
231.11407	3.4
242.11871	1.8
243.11354	5.8
245.09265	1.8
253.05956	5.7
255.11406	23.1
257.09247	3.0
267.11420	43.9
270.06534	2.9
283.10919	2.1
285.08820	11.4
285.12424	15.9
299.10388	11.1
299.13550	1.7
307.37451	1.4
311.10388	25.9
317.11401	5.8
317.15063	14.1
329.11459	18.3
331.13034	16.1
343.13000	67.9
361.14120	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	361.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.7
59.01381	14.6
71.01377	14.2
71.05006	0.8
73.02936	11.7
79.95768	0.8
83.01379	5.6
83.05016	9.1
83.34513	0.6
84.46288	0.7
85.02943	11.6
87.04516	4.7
89.02425	3.4
99.00874	3.2
99.04494	1.1
101.02438	29.8
101.06092	5.3
109.06580	33.3
113.02433	10.4
113.69250	0.6
123.08133	0.7
124.05299	0.9
127.07643	100.0
135.08124	0.8
153.05603	5.5
155.10802	1.5
159.02992	1.5
160.04123	0.8
161.04529	5.1
171.10258	16.0
181.12419	0.8
189.04329	4.0
199.09756	3.0
201.11331	8.9
207.08737	22.5
209.11839	1.1
211.13440	1.2
229.14465	5.0
231.11475	0.8
237.14908	6.2
253.14671	0.7
255.11363	1.5
255.15982	0.9
267.11469	3.4
273.16949	5.3
296.73380	0.7
311.10364	2.4
329.11456	5.8
361.15103	93.7
361.22256	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	361.187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92305	0.4
53.13279	0.4
54.72272	0.6
55.01880	4.4
59.01370	2.6
63.37373	0.4
71.01376	0.7
76.20650	0.5
85.02959	0.5
89.02445	0.8
90.79872	0.5
92.22408	0.7
101.02485	0.7
117.71389	0.4
129.01924	6.2
147.03000	2.5
151.06085	1.2
155.17010	0.6
165.12834	23.2
183.13898	100.0
195.13916	4.7
209.11887	2.4
213.14957	21.2
227.12889	33.3
233.93481	0.5
361.18692	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	361.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57281	1.1
57.03430	1.3
59.01381	67.5
59.11547	1.1
71.01012	1.8
71.01373	32.1
73.02940	1.9
83.05013	1.6
85.02934	6.9
89.02435	37.8
92.02750	1.4
95.01384	1.7
99.08154	5.5
101.02437	22.3
104.74342	1.3
113.02431	14.6
119.03477	17.0
161.04593	1.5
179.05615	5.9
199.13481	2.2
209.11761	1.8
235.80978	1.3
361.18671	100.0
361.22183	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	361.1872
Annotation	Asp Arg Ala
Peak:m/z	Relative Intensity
52.16250	0.5
54.52209	0.4
55.01869	0.6
57.03466	0.9
59.01379	18.5
71.01375	12.8
72.99304	0.5
73.02933	4.0
78.66450	0.5
83.01397	3.4
85.02959	5.1
87.00882	0.6
89.02428	5.1
95.01393	0.9
99.00867	2.0
99.88055	0.5
101.02427	12.9
111.08217	0.6
113.02422	7.4
130.51172	0.5
144.04506	0.7
165.05605	0.6
173.08221	1.0
176.10464	0.5
181.12369	1.0
199.13435	9.1
209.11836	1.1
251.85478	0.5
315.91455	0.5
327.34988	0.5
330.77826	0.6
340.75943	0.6
343.17685	2.1
361.18719	100.0
361.22125	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	361.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75629	1.8
54.10176	2.0
55.64815	1.8
55.67646	2.3
58.16636	1.7
59.01384	58.4
64.11209	2.0
82.54587	1.9
88.67940	1.9
92.22507	2.4
94.77728	2.0
101.19400	1.9
123.90901	2.1
217.07210	18.6
285.13477	13.8
301.16635	100.0
361.13199	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	361.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71700	0.9
52.80918	0.8
53.82615	0.9
59.01386	1.2
60.49640	0.9
63.72915	0.8
63.76828	0.8
70.87029	1.0
72.04556	1.0
74.02475	1.5
77.44835	0.7
83.57848	0.9
92.22634	1.1
98.02471	9.6
99.00874	16.6
100.04039	1.8
111.78886	0.9
116.03532	1.8
118.05092	31.3
122.09749	1.1
124.11270	4.2
124.66479	0.9
150.09207	1.3
151.04045	1.1
168.10298	55.4
170.11856	1.7
171.74979	0.9
186.11362	38.6
207.12506	1.0
212.81438	1.1
269.15121	4.0
287.16110	9.6
361.19836	100.0
371.60861	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2236
Annotation	bhos#20
Peak:m/z	Relative Intensity
53.83286	0.6
57.03445	4.6
59.01371	1.0
71.05016	3.9
71.10881	0.5
73.02927	0.9
83.05019	9.3
85.02965	0.9
87.04514	4.1
95.04993	1.1
95.22429	0.7
97.06580	0.6
101.06070	4.8
109.06662	0.7
121.06579	1.0
123.08138	3.1
124.05293	1.3
127.11341	0.7
133.19937	0.6
141.83907	0.8
155.10847	1.1
159.54868	0.7
171.10265	19.4
199.09792	1.2
201.11357	8.8
203.10741	0.9
209.11761	1.3
211.13339	0.9
213.11394	0.7
229.14441	1.5
237.14983	4.7
255.15968	0.9
257.15390	1.2
265.07401	1.1
271.17023	6.3
273.16882	4.5
273.18750	6.0
281.07104	0.8
301.08914	0.7
317.17633	16.2
343.15469	3.6
343.87750	0.8
361.16574	100.0
361.22318	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	361.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79164	0.5
53.05948	0.5
59.01381	14.6
60.84916	0.5
66.88737	0.5
96.84948	0.6
119.50646	0.7
144.51192	0.7
170.56062	0.7
248.16687	0.6
279.23315	100.0
361.13681	1.4
361.23630	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	363.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10707	1.1
59.01392	15.8
60.51038	1.2
62.50799	1.2
71.01378	5.9
82.02982	36.6
83.01363	2.6
89.02448	2.4
101.02450	6.0
108.04564	2.9
119.68594	1.4
122.02418	1.5
122.06157	1.8
123.03225	2.6
136.04062	20.8
136.07681	19.4
138.05612	49.7
139.11246	1.6
164.03529	53.4
178.08647	2.3
180.06551	1.5
182.04567	5.2
183.10260	6.6
194.04601	34.9
195.05368	12.3
196.06161	31.2
202.08749	5.4
203.23949	1.6
204.06535	2.9
205.05055	2.2
214.12497	2.5
227.08260	6.2
242.10591	24.3
244.09793	9.6
245.09256	5.6
257.12979	100.0
258.06451	6.3
259.07245	5.9
259.10852	3.4
270.07770	7.4
271.07330	2.9
287.10382	91.7
291.09860	3.1
313.08136	1.8
319.12848	2.5
331.05447	3.3
331.09360	64.3
345.10931	29.0
363.07379	2.8
363.11969	41.7
363.16653	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	363.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67290	0.7
52.89093	0.8
54.08289	0.9
54.75822	0.8
59.01387	11.0
59.01630	1.1
61.98829	0.8
71.01379	3.8
72.48349	0.8
73.02937	2.1
82.02981	42.4
83.01396	1.6
85.02945	1.3
89.02432	2.2
91.85516	1.1
92.22581	1.2
100.00467	0.9
101.02435	4.4
108.55760	1.0
113.02389	1.4
120.04498	1.0
122.06112	3.9
126.93603	0.9
128.62939	0.9
129.05135	0.9
136.03098	1.5
136.04054	20.9
164.03542	56.8
178.08801	1.2
180.03061	1.1
182.04524	2.0
183.10249	5.5
187.84557	1.0
194.04587	29.5
195.05362	11.6
196.06155	35.0
198.12212	1.1
202.08714	1.9
204.06573	3.5
231.07852	2.3
242.11185	2.3
244.07976	0.9
244.09866	11.5
245.09258	5.2
246.07751	1.1
258.06348	4.1
259.07169	1.2
259.10855	4.5
269.09378	1.6
270.07761	7.4
271.07339	4.9
272.08023	1.5
285.08862	1.2
287.10410	100.0
291.10013	4.0
303.14343	1.1
313.08127	1.4
319.12939	3.8
321.15594	1.1
331.09390	70.0
363.12003	31.5
363.16653	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	363.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67290	0.7
52.89093	0.8
54.08289	0.9
54.75822	0.8
59.01387	11.0
59.01630	1.1
61.98829	0.8
71.01379	3.8
72.48349	0.8
73.02937	2.1
82.02981	42.4
83.01396	1.6
85.02945	1.3
89.02432	2.2
91.85516	1.1
92.22581	1.2
100.00467	0.9
101.02435	4.4
108.55760	1.0
113.02389	1.4
120.04498	1.0
122.06112	3.9
126.93603	0.9
128.62939	0.9
129.05135	0.9
136.03098	1.5
136.04054	20.9
164.03542	56.8
178.08801	1.2
180.03061	1.1
182.04524	2.0
183.10249	5.5
187.84557	1.0
194.04587	29.5
195.05362	11.6
196.06155	35.0
198.12212	1.1
202.08714	1.9
204.06573	3.5
231.07852	2.3
242.11185	2.3
244.07976	0.9
244.09866	11.5
245.09258	5.2
246.07751	1.1
258.06348	4.1
259.07169	1.2
259.10855	4.5
269.09378	1.6
270.07761	7.4
271.07339	4.9
272.08023	1.5
285.08862	1.2
287.10410	100.0
291.10013	4.0
303.14343	1.1
313.08127	1.4
319.12939	3.8
321.15594	1.1
331.09390	70.0
363.12003	31.5
363.16653	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	363.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.5
57.03444	1.2
59.01382	20.8
60.80819	0.4
61.87881	0.4
69.48101	0.4
71.01376	14.1
72.99297	0.5
73.02945	3.9
83.01369	2.2
83.04982	0.5
85.02940	7.2
87.00862	0.5
87.04504	5.0
89.02441	8.9
95.01411	0.9
99.00894	0.9
101.02441	14.6
109.08481	0.5
113.02448	6.5
113.06086	12.6
119.03493	2.9
121.10221	7.0
137.09720	0.7
139.11302	2.6
155.10751	0.8
157.12369	0.5
161.04582	0.6
183.10301	2.1
201.11351	10.1
345.15698	0.7
354.50165	0.6
363.16656	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	363.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.4
57.03435	7.6
59.01101	2.2
59.01380	39.7
71.01379	26.5
72.99277	2.6
73.02960	3.4
85.02936	8.3
87.00794	1.5
88.85547	1.5
89.02428	21.9
95.01369	2.6
95.88940	1.6
96.95995	8.0
101.02440	23.1
113.02425	8.8
117.29502	1.6
119.03493	3.3
121.10237	13.4
137.09697	4.2
139.11273	8.5
141.88675	1.6
150.03168	2.4
151.70555	1.7
183.10263	12.6
201.11302	3.2
271.65408	1.7
281.13977	2.0
290.32434	1.8
300.40286	1.7
363.16641	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	363.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01968	0.3
57.62325	0.3
59.01381	3.5
60.70354	0.3
67.82832	0.3
69.05408	0.3
69.48607	0.3
71.01385	2.0
71.04993	0.4
73.02921	0.4
78.70513	0.4
83.01363	0.4
83.05044	0.5
85.02954	1.5
89.02448	1.4
92.22436	0.4
99.81265	0.3
101.02434	2.6
113.02460	1.8
114.53166	0.3
139.86519	0.3
234.48032	0.4
275.20349	0.6
303.14767	0.4
319.19171	5.8
345.17105	11.5
363.18179	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	363.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50640	0.9
57.03449	1.4
59.01383	2.2
59.52673	0.7
74.85775	0.8
83.86665	0.9
85.02941	8.7
85.11341	0.9
97.06583	3.7
101.02359	1.1
119.05049	1.0
129.01941	1.4
137.09814	1.1
171.10281	12.7
183.13931	1.8
193.12279	1.0
200.37317	1.0
211.13434	17.8
221.11827	4.7
229.14456	14.1
239.13049	1.6
291.19638	4.2
327.21793	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	363.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15865	0.4
53.71633	0.5
55.01890	0.4
57.03488	0.5
57.16564	0.4
59.01379	18.1
70.57548	0.5
71.01373	10.1
73.02943	2.9
75.00893	0.4
83.01390	2.0
85.02949	5.1
86.93967	0.5
87.00853	1.0
89.02444	3.5
92.23089	0.9
95.01363	0.7
96.96015	0.6
99.00842	0.6
101.02419	7.3
109.71252	0.4
111.00890	0.9
113.02424	3.3
119.03513	0.8
127.47343	0.5
131.03391	0.5
153.12877	2.0
159.83818	0.5
183.13898	1.9
197.11853	2.0
201.13081	1.2
201.14969	35.9
215.12898	5.3
228.41321	0.5
243.15883	0.6
243.65752	0.5
281.46466	0.5
304.62555	0.6
321.19150	0.6
345.19257	2.9
363.20294	100.0
364.18329	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.6
86.29749	0.4
89.02387	0.5
91.82213	0.4
95.71613	0.5
97.06573	0.4
109.06581	0.7
119.08636	1.0
123.08143	9.9
125.09754	0.5
126.82770	0.5
138.39487	0.5
146.07370	1.6
148.08984	0.8
149.09717	3.1
149.35501	0.4
151.11285	0.5
153.09241	1.1
153.12874	0.7
165.09189	0.5
165.12921	0.6
169.51205	0.4
173.13362	0.8
191.14435	0.8
205.12265	0.6
217.15887	0.9
233.15511	16.1
243.17493	0.5
245.19109	18.6
247.17097	2.8
261.18561	0.8
271.17108	6.5
289.18121	100.0
363.21759	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	363.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35355	0.6
59.01375	3.2
62.45342	0.7
62.91619	0.7
67.32882	0.7
76.58680	0.7
87.72025	0.7
91.03970	0.8
119.08665	12.5
120.54765	0.9
123.08159	11.8
125.09757	2.9
140.37190	0.7
146.07402	1.3
148.09006	0.9
149.09689	3.0
151.11295	1.0
157.20444	0.8
191.14531	1.0
227.11285	0.8
233.15515	6.2
245.19113	14.8
247.16988	3.1
271.17053	9.6
289.18127	100.0
307.70831	0.8
363.21896	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	363.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.8
62.78831	0.7
66.27950	0.7
67.36221	0.8
71.01392	1.2
73.02961	0.8
77.38436	0.8
93.07054	1.3
96.95951	1.5
107.80337	0.8
123.08150	1.3
125.09719	0.8
129.00163	1.0
129.09241	3.4
135.08168	1.0
141.09241	4.5
155.10794	1.2
171.10272	33.0
185.11855	5.5
191.14528	1.2
197.11780	3.2
201.11342	30.5
213.11337	11.7
215.12953	1.9
221.15582	1.1
289.18097	15.7
291.19424	1.1
325.20331	3.1
327.21677	3.5
345.22757	10.6
363.23956	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45614	0.7
54.98463	0.9
56.63736	0.9
59.01376	6.1
71.01373	6.0
78.29924	0.9
83.60639	0.8
85.08638	0.9
87.00839	1.9
89.02462	1.1
93.07098	1.2
98.81048	0.9
120.08922	0.8
123.08134	1.4
125.09661	1.7
129.09209	1.4
134.03691	1.9
141.09242	6.7
144.65005	1.0
153.09146	1.0
153.56168	1.0
171.10268	37.9
178.02759	2.2
185.11826	5.6
192.48238	0.9
193.05011	12.6
197.11868	1.8
201.11343	35.6
209.11961	1.2
213.11343	13.1
225.02158	1.2
281.06717	3.3
289.18118	13.8
291.19635	1.2
325.20255	4.4
327.21799	4.8
345.22958	11.0
363.23926	100.0
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	Unknow
Peak:m/z	Relative Intensity
50.17541	0.5
50.48112	0.5
59.01382	12.7
95.81921	0.5
106.04011	0.5
113.65356	0.7
143.56012	0.7
206.13335	0.6
226.28142	0.8
238.79671	0.7
281.24878	100.0
363.25177	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	363.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84060	0.8
70.80724	0.7
88.27229	0.7
99.08145	1.5
113.09752	1.2
129.09190	3.2
195.13890	4.1
205.12450	1.5
223.13361	12.0
233.18939	0.9
251.20175	22.0
253.11299	0.8
263.20139	4.4
293.21198	4.4
306.27039	0.9
345.28003	4.1
363.29092	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02998	1.1
57.77007	1.0
63.05144	0.9
76.94864	1.0
145.51108	1.2
167.77971	1.0
195.13879	1.8
210.46291	1.3
223.13419	9.3
235.38977	1.2
251.20152	28.4
263.20108	7.7
345.28177	9.7
363.29077	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	364.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00797	12.9
64.49489	16.1
70.11256	16.2
79.75074	15.5
84.67809	17.2
89.20863	17.8
89.37639	16.5
103.47398	15.8
114.65269	17.5
160.38594	16.8
161.46544	19.0
364.22546	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06579	1.2
52.45857	1.1
56.79604	1.1
57.37994	1.1
59.01379	22.1
67.58464	1.2
68.73616	1.2
71.01369	6.1
73.02933	1.3
85.02975	2.2
89.02454	2.2
101.02457	6.6
108.04558	1.4
113.02419	2.6
118.35017	1.4
124.04030	2.5
134.06143	2.6
135.81459	1.2
136.04051	3.1
150.05594	2.2
155.19157	1.3
162.05615	1.7
184.07637	2.6
185.09756	2.7
185.11803	1.6
200.10855	4.7
203.16899	1.5
212.05847	9.3
213.06686	2.7
215.08377	1.5
216.10324	7.6
227.08243	32.0
228.08931	52.1
229.09892	24.2
243.11436	12.7
244.08667	2.0
256.08487	5.5
259.10889	10.3
271.10907	55.9
278.65271	1.4
289.08746	3.3
289.11966	100.0
303.09909	13.1
333.10678	1.8
365.18375	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	365.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27413	0.4
57.03427	0.7
59.01101	0.6
59.01382	14.4
65.98476	0.3
67.01897	0.5
69.03445	0.5
69.34180	0.4
71.01377	2.7
83.01381	0.8
85.02951	7.4
87.00854	1.8
89.02446	1.8
92.22700	1.9
95.01389	0.9
99.00845	0.6
101.02435	2.4
101.06075	100.0
111.00867	2.1
111.08137	2.7
113.02461	3.7
127.07642	0.7
129.01970	1.0
139.00366	0.8
161.04532	0.5
167.06903	2.3
173.08170	2.5
193.04829	3.6
195.88228	0.5
211.04646	1.7
263.07809	4.5
284.74530	0.5
321.15530	0.5
333.11755	0.6
347.09756	0.7
348.15771	0.5
365.10962	2.2
365.14526	52.0
365.18076	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	365.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55288	0.7
57.21321	0.8
59.01382	88.1
59.72393	0.7
71.01378	16.2
85.02950	1.2
89.02436	29.2
101.02436	13.8
113.02447	10.4
119.03484	12.7
122.64378	0.8
157.28860	0.9
167.10794	9.6
179.05594	4.5
185.11877	6.4
231.36832	0.9
236.29033	1.1
287.47995	0.9
365.18185	100.0
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
59.01381	98.6
61.73237	1.4
71.01374	19.6
74.88815	1.2
85.02930	2.5
86.63905	1.3
89.02436	27.4
93.88888	1.3
101.02435	14.2
113.02415	8.9
119.03448	11.5
122.80347	1.3
167.10762	10.1
169.68417	1.4
179.05621	2.6
184.45145	1.4
185.11829	8.0
188.08278	2.1
241.43369	1.4
322.13901	3.1
365.18167	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	4.5
59.01382	100.0
71.01378	11.1
73.02926	2.0
74.92869	1.0
76.57917	1.0
85.02962	5.1
89.02439	8.6
99.00885	1.0
101.02453	13.4
111.08133	1.4
113.02417	6.9
119.03506	4.1
138.04666	0.9
138.05634	6.9
143.03551	1.5
173.08217	2.5
179.05666	2.2
185.11850	2.4
203.12889	4.8
219.55914	1.1
220.01909	1.1
271.10776	1.2
289.11911	2.1
305.16046	5.2
333.10040	1.3
347.17041	8.1
365.14130	5.2
365.18231	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	365.2101
Annotation	1-O-tetradecyl-DHAP(2-)
Peak:m/z	Relative Intensity
53.75417	3.2
59.01382	6.1
61.49548	3.3
79.36176	3.0
82.33707	3.2
84.94374	2.7
109.48849	3.6
115.43191	3.0
167.12808	3.5
179.26381	4.0
197.97493	3.7
199.13261	4.0
211.13400	7.0
291.19638	13.7
295.29892	3.3
327.22131	5.2
329.23422	100.0
365.23407	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	365.218
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70862	0.8
59.01381	100.0
71.01373	1.4
72.16206	0.8
85.02908	1.1
86.06245	0.9
87.92867	0.8
92.22570	1.4
93.22617	0.8
101.02470	1.4
102.66643	0.8
107.22525	0.9
113.02419	1.9
119.00082	0.8
155.14633	0.9
305.19775	8.5
369.30371	1.0
387.66156	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84315	0.5
57.03423	0.9
59.01382	6.2
60.36282	0.5
61.03627	0.6
62.61378	0.6
65.79763	0.6
71.01380	0.8
80.96515	17.1
87.00863	11.3
91.04025	0.9
92.22378	0.7
93.24256	0.7
96.95998	0.7
97.06568	0.6
100.94654	0.6
100.96812	0.7
111.08149	3.3
118.54401	0.6
120.12495	0.6
121.10240	9.7
125.09752	5.3
147.08138	1.5
171.10260	1.2
177.12814	1.2
185.11815	11.9
192.33282	0.6
195.13887	3.3
197.11780	2.3
203.14769	0.8
209.11845	1.0
211.13419	1.1
221.63051	0.7
247.20630	1.1
273.18616	1.0
291.19702	100.0
321.17291	1.3
336.07492	0.7
365.16608	6.4
365.23438	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	365.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.5
57.55991	0.4
59.01377	3.8
61.33792	0.5
71.01369	0.6
80.96516	8.5
90.23734	0.5
91.04034	1.2
93.07076	1.0
96.95992	2.6
103.37463	0.5
113.26443	0.5
121.10227	15.7
125.09715	10.2
141.12859	0.9
147.08128	2.4
171.10332	0.6
185.11829	20.3
197.11832	4.3
209.11792	0.8
211.13316	2.0
223.13242	0.6
273.18625	2.6
289.18259	0.6
291.19696	100.0
365.16251	3.1
365.23410	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	365.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	14.5
62.97454	2.7
63.04029	2.6
71.03606	2.6
71.05029	11.6
73.09114	2.8
78.86881	2.5
86.82496	2.7
95.38816	2.7
96.96011	13.9
118.50170	2.6
120.70132	2.5
121.30862	2.7
129.92450	2.4
149.85692	2.9
181.53220	3.8
185.11871	2.5
197.85663	2.7
219.13853	3.6
219.96339	2.6
239.10803	2.8
283.26443	3.4
291.19696	100.0
365.23444	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	365.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	6.5
71.05015	21.1
71.05408	0.8
79.20738	0.5
87.00880	0.9
91.04043	0.7
96.96003	5.6
97.06574	8.1
102.06544	0.5
108.76752	0.5
136.42494	0.5
139.11179	0.6
153.20103	0.6
163.14879	0.6
175.14932	0.5
181.12381	3.1
195.13846	1.6
207.13895	5.0
209.07870	0.6
217.15929	1.0
219.13979	3.8
235.17003	8.0
247.20657	1.2
273.18671	1.0
291.19696	100.0
365.19406	0.9
365.23474	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	365.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83787	0.6
53.92698	0.6
55.33471	0.6
59.01366	4.7
62.95565	0.6
66.99239	0.6
71.05012	6.6
71.43177	0.5
78.25249	0.7
80.96517	12.2
84.66729	0.6
93.07091	1.1
96.95999	0.9
97.06572	3.6
121.10213	11.0
123.08158	0.6
125.09714	8.7
141.12860	0.8
147.08215	1.0
171.10197	0.8
176.14970	0.8
176.98772	0.6
185.11836	15.7
193.15761	0.6
197.11842	3.4
207.13925	0.9
209.11832	1.1
211.13364	1.5
219.13910	0.8
235.17041	1.4
273.18716	3.1
291.19690	100.0
321.17313	0.8
365.16626	4.6
365.23257	13.9
365.27066	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
62.45086	41.7
63.75507	41.5
78.18128	40.8
79.76391	49.3
79.88223	49.9
86.37530	48.1
88.44551	40.4
111.22645	50.2
118.38025	48.3
169.59433	50.9
227.76317	54.3
365.24191	100.0
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
59.01386	0.9
67.20093	0.4
85.06556	3.2
103.55993	0.4
142.81302	0.5
199.13391	7.7
200.51392	0.5
232.15086	0.4
251.20146	0.6
261.18671	1.9
277.21747	0.8
279.19696	23.7
347.25916	10.8
363.25418	0.5
365.26996	100.0
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
51.05617	0.5
53.49821	0.4
54.87492	0.4
56.79821	0.5
59.01379	5.0
61.44771	0.4
80.96516	13.1
96.96004	3.4
102.97588	0.5
122.79172	0.6
125.09455	0.5
128.72218	0.5
196.54919	0.6
291.19763	2.4
303.27026	3.0
329.25037	0.9
347.25949	100.0
365.16989	5.8
365.23557	2.9
365.27039	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	365.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55064	71.4
55.79404	83.3
70.67027	69.2
75.39973	82.1
77.69569	71.9
103.87874	88.4
123.36311	91.1
133.25365	100.0
148.23531	83.1
192.71095	88.6
214.72638	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	366.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72232	0.2
64.91980	0.3
68.68226	0.3
72.38992	0.3
78.65335	0.3
88.04033	0.7
93.16718	0.3
100.48928	0.3
116.05022	0.5
125.43913	0.3
146.08250	0.4
159.03174	0.4
160.04034	100.0
163.87749	0.3
204.03009	3.4
218.10191	0.4
294.96210	0.3
366.08322	33.0
366.13315	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75603	8.0
66.88708	7.8
96.96007	22.4
102.70703	8.6
107.77200	9.7
134.52240	10.2
134.53433	8.8
168.68781	9.2
212.76616	9.7
236.38661	9.2
328.21964	36.9
330.23944	11.0
366.20108	14.9
366.24197	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
59.20219	15.4
64.86488	14.0
71.59381	14.8
80.63859	13.3
83.98536	13.2
92.22558	13.9
93.00691	16.4
99.69041	14.0
116.51189	17.1
123.40598	12.5
330.23676	28.0
366.24252	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75603	8.0
66.88708	7.8
96.96007	22.4
102.70703	8.6
107.77200	9.7
134.52240	10.2
134.53433	8.8
168.68781	9.2
212.76616	9.7
236.38661	9.2
328.21964	36.9
330.23944	11.0
366.20108	14.9
366.24197	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42467	10.0
54.86404	11.2
59.01376	24.3
63.60521	11.3
70.79695	10.9
75.69087	11.3
79.14162	11.0
79.96927	10.9
84.84430	13.3
131.52411	11.6
137.60878	12.5
241.51904	13.3
292.20294	19.1
330.23941	100.0
366.15005	15.5
366.24146	70.2
366.28339	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	366.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90264	5.6
58.44296	6.0
59.01370	7.3
65.15357	5.5
65.15786	6.1
66.02991	5.7
70.21037	5.8
80.21122	6.4
80.37302	5.4
96.96007	73.4
150.03256	6.8
156.78772	6.8
158.85767	6.9
366.19550	88.6
366.24078	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38629	0.7
57.03434	1.2
59.01386	11.8
60.99315	1.3
61.01881	0.7
67.01884	3.5
69.03412	0.9
71.01363	3.7
85.02945	1.7
86.75003	0.7
87.00861	6.1
93.03442	33.5
111.04495	8.5
117.03438	0.9
127.03990	1.0
134.03737	16.2
136.02953	0.8
137.02463	1.5
149.06091	1.5
151.94359	0.9
155.03490	3.7
173.02998	1.4
173.04539	59.6
191.05614	100.0
193.05048	15.8
208.28300	0.8
307.17728	1.6
367.10291	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	367.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64066	0.5
59.01388	4.5
61.85183	0.4
71.01376	0.6
85.02962	0.6
89.03922	0.4
93.03448	1.0
101.02405	0.6
111.04500	2.1
117.03466	6.3
122.69769	0.4
132.69647	0.4
134.03738	79.2
149.06079	11.3
149.63321	0.5
155.03462	4.1
173.04553	5.0
191.05635	4.2
193.05067	100.0
193.43747	0.5
367.10379	24.9
367.15494	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	367.1035
Annotation	5-O-Feruloylquinic acid
Peak:m/z	Relative Intensity
50.25732	0.2
59.01379	7.0
62.06128	0.2
67.01883	0.4
70.38945	0.2
71.01390	0.4
75.69475	0.2
85.02950	2.5
87.00871	1.4
90.96220	0.2
93.03448	3.7
101.02449	0.4
109.37232	0.2
111.04490	1.0
113.02402	0.3
114.79837	0.2
125.51378	0.2
127.04008	0.8
129.88661	0.2
132.89778	0.2
134.03719	2.2
171.03004	0.3
173.04526	3.4
175.03990	0.2
191.05626	100.0
193.05127	1.9
307.17654	2.0
367.10345	7.0
367.14310	0.2
380.11444	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	367.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66018	0.9
57.03452	1.1
58.00597	0.7
59.01384	18.6
71.01378	12.0
72.00907	1.1
72.99310	2.0
73.02937	42.9
75.00863	14.8
80.89264	0.9
85.02939	13.3
87.00868	5.0
89.02431	5.1
95.01392	3.9
99.00871	7.5
99.04512	1.8
101.02436	1.2
113.02420	18.8
115.00351	1.6
117.01924	2.0
117.05569	39.8
129.01941	1.1
147.04521	9.2
160.04019	15.9
161.04408	21.1
164.07170	22.6
175.02434	1.2
189.04166	1.1
231.05145	1.9
242.43753	1.0
249.06145	33.3
249.08669	1.5
323.09836	3.3
349.11386	1.2
356.12756	1.0
367.08740	7.2
367.12506	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	367.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.1
59.01383	19.7
65.04602	0.8
67.06782	0.8
67.49895	0.7
67.52905	0.8
71.01377	26.6
72.35169	0.9
73.02941	20.9
83.01386	4.8
85.02940	14.9
89.02425	5.9
92.23038	1.4
94.62688	1.1
97.02916	1.2
99.00862	7.0
101.02439	44.1
113.02437	18.9
123.81622	0.9
125.02419	1.2
134.03748	12.5
149.06023	2.1
159.02925	4.5
161.04552	12.0
166.13188	1.0
191.05644	1.5
193.05090	15.3
235.11890	36.7
280.12509	1.1
292.92276	1.0
336.79419	1.0
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	367.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27721	0.5
55.01878	2.0
57.03447	0.9
57.87885	0.4
58.87444	0.4
59.01382	23.3
67.39067	0.4
67.85001	0.4
71.01379	26.2
73.02544	0.9
73.02943	18.6
73.03352	0.8
75.00853	0.9
75.36794	0.5
75.50594	0.4
83.01385	6.4
85.02944	15.4
87.00848	2.4
89.02444	6.1
95.01382	2.0
97.02918	0.9
97.71314	0.4
99.00874	8.0
101.02438	43.9
111.00842	0.5
113.02438	17.6
119.05007	0.9
127.96945	0.4
132.16634	0.4
134.03685	0.7
141.91048	0.5
143.03540	1.1
159.02991	3.1
161.04568	10.5
167.03468	2.7
175.03909	0.5
184.06122	0.5
191.05688	0.8
193.05115	1.0
204.42400	0.5
235.11876	30.6
295.31509	0.6
301.08337	0.7
320.58994	0.6
331.09473	2.3
367.16104	100.0
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
50.20495	0.8
55.01875	1.1
57.03452	1.5
59.01382	22.5
65.75454	0.8
70.39429	0.7
71.01009	1.5
71.01378	28.4
71.01980	0.9
73.02940	20.6
83.01387	5.2
85.02948	18.5
89.02435	7.5
95.01379	1.5
97.02953	1.1
99.00900	6.9
101.02435	50.5
110.72712	1.1
113.02457	18.8
113.90768	0.9
117.02543	0.9
119.03493	1.2
125.02408	1.7
143.03464	1.5
159.02991	1.2
161.04591	10.3
235.11874	41.7
367.16110	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02993	1.1
62.18952	1.2
74.02477	16.3
81.36472	1.2
113.19020	1.5
121.77458	1.3
127.83276	1.7
164.14458	16.5
190.12418	2.9
192.13959	7.5
208.13464	11.4
218.15350	2.0
230.15631	3.4
248.16563	67.7
266.17639	76.4
292.15576	19.5
310.16641	30.1
367.18771	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16236	1.3
55.08217	1.6
56.59211	1.4
59.01376	3.1
69.00940	1.6
83.83485	2.0
125.09666	2.2
177.09209	100.0
185.11844	2.4
293.21228	56.0
311.02014	1.7
312.06891	1.7
347.57880	1.7
367.19150	51.6
367.25787	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	367.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41587	0.3
59.01383	100.0
71.01377	4.0
73.02953	1.5
79.94487	0.3
81.20065	0.3
83.01389	0.5
85.02955	2.0
87.00841	0.4
89.02432	3.2
101.02449	3.3
113.02443	2.4
142.94287	0.4
159.03015	0.4
161.04572	1.8
169.61017	0.3
179.05692	0.6
184.64403	0.4
267.43903	0.4
307.17670	17.0
307.21017	0.7
367.10327	0.4
367.19540	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	367.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23571	0.4
58.34637	0.5
58.97792	0.5
59.01384	100.0
71.01366	4.2
73.02935	1.3
80.91496	0.6
84.04387	0.6
85.02948	1.4
89.02460	1.1
96.00729	0.5
101.02424	6.1
105.43491	0.5
113.02410	2.6
119.05010	0.8
145.02948	7.9
156.33859	0.6
161.04591	2.5
163.04059	1.0
173.04570	1.0
191.05605	1.5
200.89525	0.6
307.17645	22.6
367.10229	3.0
367.19568	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	367.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08914	0.6
56.60115	0.7
59.01381	100.0
71.01374	11.8
73.02943	4.4
83.01372	1.1
85.02940	7.8
89.02438	3.2
99.00860	1.2
101.02442	13.0
113.02438	7.9
119.04985	1.1
145.12433	0.7
161.04555	9.7
163.04065	1.3
249.11406	0.8
267.35205	0.8
307.17645	54.0
352.81689	0.7
367.19867	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	367.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31742	0.4
58.77697	0.4
59.01381	100.0
59.28302	0.5
71.01376	7.1
73.02943	3.1
83.01396	1.8
85.02926	3.9
89.02439	3.0
95.01374	0.6
99.00895	0.7
101.02430	11.3
113.02444	4.6
113.03108	0.5
114.17252	0.5
119.03547	0.6
119.05016	2.0
161.04552	5.3
163.04045	0.9
187.45038	0.4
210.08453	0.5
250.62404	0.5
263.09387	0.5
300.17719	0.5
307.17657	35.8
367.19818	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69746	1.3
53.69572	1.6
55.01886	1.6
57.75553	1.4
59.01379	3.3
71.01345	1.9
74.03597	3.8
89.61306	1.8
95.30197	1.4
99.00858	13.5
103.08334	2.0
105.90334	1.6
125.09621	1.7
134.03731	9.7
137.04832	3.4
163.83429	1.7
164.14427	20.9
173.04520	1.9
177.92867	1.6
190.12354	11.3
193.05069	14.4
199.13425	3.8
208.13431	24.7
239.61537	2.1
248.16589	31.4
266.17636	38.5
266.41272	1.9
292.15457	8.1
310.16711	13.7
347.05020	1.8
367.14548	3.1
367.19818	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.3
60.59887	0.9
62.65043	1.2
67.13756	1.1
91.34670	1.1
99.08186	1.2
128.45079	1.1
129.09236	5.6
169.12370	2.3
181.12332	1.4
193.12280	1.6
194.74074	1.1
199.13426	17.1
211.13416	18.3
219.89236	1.3
273.53729	1.1
293.21246	5.5
310.50494	1.2
311.22247	2.1
329.23386	100.0
331.23950	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	367.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.3
60.59887	0.9
62.65043	1.2
67.13756	1.1
91.34670	1.1
99.08186	1.2
128.45079	1.1
129.09236	5.6
169.12370	2.3
181.12332	1.4
193.12280	1.6
194.74074	1.1
199.13426	17.1
211.13416	18.3
219.89236	1.3
273.53729	1.1
293.21246	5.5
310.50494	1.2
311.22247	2.1
329.23386	100.0
331.23950	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	367.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56313	0.7
57.10062	0.8
59.01380	4.3
68.17290	0.9
68.31248	0.8
70.10369	0.9
80.81201	1.0
83.04967	0.9
83.55581	1.0
83.93813	0.9
86.48328	1.0
101.44247	0.9
113.09677	4.0
117.38490	1.2
125.09729	2.2
137.42439	1.0
185.11798	9.5
194.53232	1.0
197.11771	1.0
293.21255	100.0
367.25253	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	367.2492
Annotation	Carboprost
Peak:m/z	Relative Intensity
53.05019	0.3
59.01379	5.6
63.80640	0.4
64.61391	0.4
65.92683	0.4
70.56041	0.4
80.90864	0.5
89.02457	1.0
89.62124	0.4
91.04000	11.4
96.42552	0.5
111.08118	1.1
111.34396	0.5
113.09716	0.4
121.10226	1.8
171.10283	6.3
179.14407	1.1
193.25766	0.5
195.13933	11.4
196.14703	0.6
205.12331	0.8
205.16046	0.8
211.13364	0.5
218.12508	0.5
223.13435	6.2
231.21333	0.8
257.18930	0.6
265.21719	0.7
275.20181	15.1
275.22934	0.7
293.21262	100.0
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
51.79463	0.7
58.02966	7.2
59.01374	1.2
63.75996	0.6
67.21583	0.7
96.96004	1.0
119.49933	0.8
133.82430	0.9
137.75523	0.7
137.79276	0.8
157.42444	0.8
252.23186	1.9
264.23254	1.6
305.25995	13.6
306.24518	6.9
306.27408	0.8
329.22977	1.2
350.23450	1.4
367.26035	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	368.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99036	0.7
55.11223	0.6
58.89531	0.8
59.50196	0.9
79.95731	12.8
93.95597	0.9
95.95225	5.2
96.96003	31.3
103.55868	0.8
130.40302	0.7
152.00217	4.4
154.98967	10.8
155.99725	16.8
160.59779	0.8
167.99741	3.5
182.01231	1.1
185.59996	0.9
197.00624	0.9
199.01591	5.8
200.02361	100.0
226.59760	0.9
252.37729	0.9
292.85056	0.8
293.21185	0.9
294.21640	1.5
324.18628	7.5
368.21048	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	368.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
60.22706	1.4
66.77653	1.5
67.02613	1.7
99.41003	1.6
130.08731	100.0
179.09639	1.6
324.32739	10.8
340.11844	1.8
368.31781	72.3
373.72989	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	369.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.6
55.46942	0.7
57.03447	19.7
59.01374	1.5
62.98829	0.9
63.26791	0.9
71.01382	6.5
72.99286	1.2
73.02950	3.4
75.00866	3.9
83.01388	5.5
85.02944	100.0
87.00869	1.8
96.96060	0.9
101.02451	7.8
102.01945	0.9
111.00867	30.4
113.02446	2.3
113.40816	1.0
115.00357	1.4
118.06024	1.0
119.05038	10.4
122.02433	2.3
122.40205	0.9
129.00974	1.3
129.01930	38.1
130.01451	1.1
135.03004	4.7
136.92458	0.8
141.80226	1.0
145.02982	1.1
161.04530	3.9
163.04001	11.7
187.02425	1.4
205.03549	27.8
223.04613	45.8
233.04199	1.6
369.08398	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	369.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35338	0.2
54.57042	0.2
56.85818	0.2
79.05539	0.4
102.68350	0.2
105.03453	1.4
105.22574	0.2
106.32838	0.2
116.79659	0.2
121.06580	2.6
123.04521	7.9
147.04468	0.2
149.02446	6.7
149.06073	0.4
157.78438	0.2
158.17598	0.2
165.05566	100.0
179.07112	0.2
179.08519	0.2
189.05624	0.9
207.06635	1.9
250.28584	0.2
265.32620	0.2
353.44336	0.3
356.34180	0.3
369.11887	2.4
379.20978	0.2
385.86719	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	369.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.5
58.08491	1.3
59.01384	40.4
63.51550	1.5
71.01382	27.8
73.02946	11.3
75.00869	6.2
83.01390	9.3
85.02946	18.7
89.02415	9.5
89.03365	1.3
95.01411	2.1
99.00873	2.6
101.02440	59.7
113.02451	16.4
116.34410	1.4
119.03487	2.9
138.43617	1.4
161.04550	8.6
207.08760	30.4
314.75171	1.4
369.14063	100.0
369.18814	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	369.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.42624	2.3
59.95784	2.3
72.00918	4.2
74.16409	2.3
75.35115	2.9
80.14321	2.3
92.23078	3.0
98.02433	8.5
99.00880	39.4
101.44060	2.4
116.03523	13.3
118.05099	75.4
118.53206	2.6
133.80435	3.2
136.14006	3.2
168.02101	2.7
183.13927	21.0
210.15063	4.4
217.13446	3.6
232.14578	4.2
234.93884	2.5
235.14542	95.1
250.15636	2.8
251.98311	2.7
252.17241	16.0
254.24458	2.7
267.23810	2.4
268.16684	49.9
274.29715	2.9
339.08847	10.0
369.13721	12.1
369.21442	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2283
Annotation	6-Keto-prostaglandin F1alpha
Peak:m/z	Relative Intensity
52.00299	0.9
53.80707	1.1
57.49451	1.0
58.72228	1.0
59.01380	59.8
77.76486	1.2
85.98347	1.1
125.47900	1.3
132.16743	1.3
167.14357	1.3
181.12341	2.7
183.13866	7.2
197.11787	6.4
211.13432	46.5
231.86917	1.5
291.19650	5.5
294.04419	1.4
309.20758	13.7
369.22827	100.0
380.90515	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	369.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33203	1.6
59.01379	100.0
63.83381	1.5
75.57001	1.7
99.25216	1.7
142.37404	2.0
143.73367	2.1
171.10190	3.6
183.56416	2.0
195.13828	2.4
207.17651	2.1
221.15446	45.7
223.17021	9.4
233.15445	3.8
251.16547	29.1
291.19589	9.6
309.20740	67.1
369.18405	4.2
369.22873	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	369.2284
Annotation	Thromboxane B2
Peak:m/z	Relative Intensity
57.44392	1.3
58.77380	1.3
59.01380	79.6
71.47248	1.2
72.13299	1.3
80.24067	1.2
85.02934	2.1
97.02933	7.5
97.06564	2.5
107.86310	1.4
111.08135	2.2
125.09706	3.5
137.09685	6.1
163.11232	2.2
165.09109	1.9
165.12843	11.6
171.10266	21.8
183.13846	6.3
185.11833	1.4
193.12311	3.6
201.41289	1.6
209.11845	6.0
211.13408	57.2
221.11806	2.1
223.07794	1.6
227.12907	3.0
229.14471	29.1
239.12856	3.0
247.20630	6.1
291.19724	58.5
294.47910	1.7
309.20746	100.0
327.21793	35.9
369.22815	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	369.2649
Annotation	1-Naphthylacetylspermine
Peak:m/z	Relative Intensity
59.01385	1.7
64.02880	0.7
74.98792	0.7
81.38633	0.6
82.01743	0.7
82.36409	0.6
88.36810	0.7
91.03991	5.7
113.09710	1.3
130.91180	0.8
157.08681	3.4
171.10268	0.8
195.13913	24.8
277.21732	30.2
283.06137	0.8
295.22800	100.0
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	1-Naphthylacetylspermine
Peak:m/z	Relative Intensity
58.95172	0.4
59.01376	2.0
59.64661	0.4
89.02446	0.9
91.04021	4.0
113.09785	0.6
125.09695	0.8
140.79472	0.5
168.58241	0.5
171.10266	38.8
235.87524	0.6
277.21735	49.6
294.21613	0.6
295.22800	100.0
363.96542	0.5
369.16284	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	1-Naphthylacetylspermine
Peak:m/z	Relative Intensity
50.80627	0.5
55.84118	0.5
56.05075	0.5
56.43274	0.5
57.87506	0.5
59.01376	3.3
69.06682	0.6
77.29776	0.5
89.02448	0.9
91.03993	5.3
111.33066	0.5
113.09702	2.3
171.10294	5.8
179.14418	1.0
180.45860	0.6
181.34178	0.6
195.13908	20.7
267.98917	0.6
270.91660	0.7
277.18109	29.1
277.21716	24.6
295.19205	22.7
295.22797	100.0
311.16867	2.5
369.22873	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	369.276
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76798	1.5
58.02975	8.6
70.02972	16.4
74.18843	1.4
75.28738	1.3
96.00893	21.7
96.99262	1.6
106.14001	1.8
113.03558	11.6
114.01956	31.9
114.85307	1.8
131.04648	16.6
223.56804	1.6
254.24919	53.3
279.23373	2.5
280.26572	2.3
351.26575	34.0
369.27536	100.0
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	Unknow
Peak:m/z	Relative Intensity
68.95151	1.7
70.56668	1.4
85.46118	1.5
97.89069	1.9
98.73974	1.8
100.15741	1.7
137.15729	1.5
168.77931	2.0
200.28165	1.9
200.60037	1.8
307.30087	100.0
325.31012	2.2
351.29053	30.7
369.30109	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	369.3376
Annotation	2-Hydroxytricosanoic acid
Peak:m/z	Relative Intensity
76.54866	0.5
91.36716	0.5
94.78465	0.5
131.80345	0.6
274.10284	0.6
321.31628	3.5
323.33224	79.9
351.32669	1.3
369.33762	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28065	1.2
55.01881	2.1
57.03451	16.1
58.03777	2.8
59.01384	14.3
61.23860	1.3
61.98835	9.1
67.01879	1.4
67.52438	1.4
71.01381	7.9
75.00863	1.6
83.01389	7.7
83.05717	1.5
85.02943	100.0
86.03281	31.8
89.56909	1.5
90.95639	1.5
101.02444	8.0
102.02777	2.8
111.00877	32.9
112.01209	15.2
119.04984	7.5
120.05353	5.8
129.01945	31.5
130.02255	15.1
134.03731	7.6
135.04060	8.0
136.04269	2.2
145.06602	1.8
146.07013	2.4
162.04900	1.6
163.04092	6.6
164.04323	8.4
187.02426	2.2
190.06001	2.6
193.05003	2.5
194.05438	11.5
195.05539	7.7
196.05872	7.7
205.03548	25.0
206.03918	17.8
223.04601	42.2
224.04950	33.1
370.08524	8.2
370.12283	2.5
370.16318	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	371.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.9
59.01385	12.5
64.70077	1.3
68.77049	1.1
70.54514	1.3
71.01376	19.0
72.99316	1.8
73.02953	1.8
75.00860	24.4
85.02940	8.9
87.00862	3.2
89.02422	4.4
89.59712	1.3
99.00872	20.1
113.02424	7.6
113.46661	1.2
117.01933	2.1
121.02945	34.5
123.04518	1.7
125.22470	1.3
129.01933	22.8
134.03740	26.2
149.06041	2.5
159.02989	2.3
167.03490	13.4
175.04060	2.5
177.03996	15.1
181.91966	1.5
191.07147	3.0
193.05078	25.8
195.05104	36.2
204.08914	1.3
235.06252	1.9
249.06181	13.4
342.24826	1.5
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	371.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44624	0.6
56.61551	0.6
59.01381	100.0
62.25307	0.6
64.42867	0.6
64.48885	0.7
67.75691	0.7
71.01368	6.5
73.02949	1.7
77.00670	0.6
85.02949	3.6
87.00871	4.0
89.02443	3.0
93.71578	0.7
96.08054	0.7
99.00875	0.8
101.02431	4.6
106.41356	0.7
113.02441	4.8
122.03723	0.8
138.05617	4.3
148.05429	0.8
161.04546	7.8
176.04732	1.2
191.03891	3.0
218.03435	0.9
231.02393	0.7
235.06082	6.5
247.06093	3.6
265.07300	3.4
311.08163	4.5
335.13605	0.8
371.09933	19.3
371.14600	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	371.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79850	0.4
59.01384	100.0
60.40807	0.5
61.57814	0.5
75.81255	0.5
92.22496	0.7
107.56927	0.6
113.56509	0.6
130.08740	0.7
167.03508	0.8
191.26796	0.6
220.28659	0.7
307.06183	0.6
314.38736	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	4.4
58.05342	0.9
59.01382	74.3
71.01378	33.1
71.01773	1.4
71.81571	1.0
72.99291	1.3
75.00864	10.9
80.01861	1.0
83.01382	5.5
85.02946	9.2
87.00898	1.7
89.02431	39.1
91.05532	1.4
95.01390	2.4
98.10727	1.0
99.00874	6.8
101.02441	21.3
103.37836	1.0
111.00869	1.1
113.02444	13.1
117.03420	1.9
119.03496	12.6
125.02435	85.7
127.22307	1.0
129.01958	11.8
134.03741	22.6
135.04514	1.2
137.02400	1.4
139.04015	2.5
147.08189	1.2
149.02431	9.6
149.06059	2.5
151.00360	2.0
159.02942	2.3
166.95398	1.0
167.03477	10.5
177.04005	4.0
179.03471	1.3
185.33244	1.2
191.03386	1.8
193.05054	22.2
195.05121	29.4
209.04585	15.3
209.06522	2.1
233.04480	5.1
287.07758	2.0
371.09683	33.3
371.13531	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05967	0.3
53.57020	0.3
71.01382	2.5
80.31770	0.4
99.92575	1.8
100.93355	66.4
104.69340	0.4
107.23146	0.4
115.00407	0.4
115.92067	100.0
116.92889	0.6
132.92326	1.6
134.01036	0.4
175.52319	0.4
176.92923	0.5
188.31290	0.5
231.83907	0.4
255.23357	4.4
357.13663	0.4
371.15350	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	371.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40926	1.5
59.01371	9.3
60.46968	1.5
60.74088	1.6
70.86475	2.0
80.90720	1.5
86.37867	1.7
91.06406	1.7
109.06580	3.2
116.05055	4.4
138.09230	3.9
157.87469	2.0
166.08742	100.0
198.11377	31.4
209.06026	2.4
209.11826	2.6
215.29317	2.0
320.57736	2.0
327.17181	21.3
339.93683	2.3
347.17886	2.0
348.45181	2.1
371.16135	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	371.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36571	0.2
54.40535	0.2
55.01856	0.2
57.03443	0.2
59.01380	100.0
62.87475	0.2
70.57188	0.2
71.01375	8.7
72.83770	0.2
73.02946	2.6
75.00865	0.2
83.01411	0.9
84.66817	0.2
85.02936	3.9
85.45773	0.2
89.02459	0.3
89.19674	0.2
95.01424	0.8
96.54291	0.2
99.00872	1.2
100.33652	0.2
101.02425	5.6
101.02985	0.3
113.02434	5.4
143.03528	0.3
149.09703	19.7
159.02974	1.6
161.04549	16.4
185.43480	0.2
277.24524	0.3
311.15036	7.2
371.17032	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	371.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83215	0.8
57.03447	1.0
59.01381	100.0
70.68475	1.0
71.01374	52.6
72.99303	1.2
73.02914	1.0
83.01396	1.7
85.02943	9.8
89.02435	70.5
95.01379	1.4
101.02431	23.8
113.02439	21.6
119.03489	15.9
131.03508	1.8
143.03482	4.1
161.04552	2.1
179.05627	9.4
188.79037	1.2
206.28447	1.1
226.04828	1.1
289.14902	1.2
371.12216	2.5
371.20743	8.0
387.11673	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.5
55.63954	1.9
57.03440	3.7
57.52348	1.8
59.01385	48.1
65.98715	2.1
71.01380	57.7
71.01741	4.4
73.02940	22.9
83.01379	11.8
85.02937	33.7
89.02435	25.8
99.00861	4.1
100.86099	2.4
101.02441	42.4
109.29045	2.2
113.02444	27.3
119.03429	4.9
145.29324	2.1
159.02919	3.2
161.04597	23.4
167.61952	2.0
179.05655	3.3
208.05804	2.3
209.15425	9.2
241.00987	2.4
269.57208	2.5
297.07629	3.4
327.12292	2.7
369.31625	2.4
369.47345	2.5
371.11697	2.5
371.16345	3.4
371.20798	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	371.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33495	0.7
53.89668	0.8
55.01875	2.0
57.03454	2.0
59.01102	1.9
59.01381	34.5
68.31570	0.9
71.01009	2.0
71.01377	42.1
73.02945	18.6
83.01398	11.1
85.02948	27.7
87.00883	1.4
89.02434	13.5
95.01369	5.3
99.00881	8.2
101.02441	42.7
105.34065	1.2
113.02437	23.1
119.03471	4.8
129.01906	1.4
136.78587	1.0
143.03528	1.4
152.19250	1.0
159.03001	4.3
161.04550	23.4
193.42271	1.0
205.03195	1.1
209.15506	6.3
221.78798	1.0
237.14731	1.0
329.04227	1.1
330.78171	1.1
371.20786	100.0
371.24838	3.4
375.27161	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.244
Annotation	8,8a-Deoxyoleandolide
Peak:m/z	Relative Intensity
59.01378	67.7
79.20597	1.7
99.08158	2.1
102.55999	1.6
113.09742	2.2
117.63413	1.6
123.80690	1.7
125.09678	3.1
139.11298	4.3
155.75984	1.9
171.10251	29.5
183.13951	4.2
193.12271	12.8
209.11691	3.3
211.13423	63.4
229.14487	20.3
249.22227	2.6
293.21317	51.2
311.22296	96.3
329.23383	29.5
371.24390	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	371.2443
Annotation	8,8a-Deoxyoleandolide
Peak:m/z	Relative Intensity
52.99346	0.8
59.01387	75.7
61.76522	1.0
66.38461	0.9
66.66196	1.0
77.61922	0.9
77.93530	1.0
93.19217	0.9
117.57448	1.1
120.64512	1.0
129.09216	1.5
160.89766	1.1
169.12315	1.4
181.12367	6.4
181.31680	0.9
183.13898	6.3
193.12370	2.3
197.11861	2.1
211.00052	1.3
211.13422	44.9
229.14372	1.2
244.38937	1.2
275.20099	1.2
293.21289	4.3
311.22354	20.9
329.23254	6.6
330.45795	1.4
371.24451	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.244
Annotation	8,8a-Deoxyoleandolide
Peak:m/z	Relative Intensity
50.28099	0.8
51.02598	0.8
57.20142	0.9
57.79552	0.8
59.01382	61.8
61.97939	1.0
62.41806	1.0
65.52831	0.9
66.48153	0.9
68.14517	0.8
68.50134	1.1
72.79220	0.8
74.79801	0.9
76.52884	1.0
84.26546	1.2
92.47282	1.0
96.94717	1.1
98.95398	1.0
101.98743	0.9
107.79448	1.2
129.09183	1.3
138.97305	1.2
167.23718	1.0
181.12328	4.4
183.13853	7.7
193.12344	1.6
197.11835	1.2
205.71230	1.2
211.13408	52.7
229.14485	1.3
293.21204	4.3
311.22311	14.7
329.23325	1.6
371.24423	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	371.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
91.04597	0.7
111.08150	10.8
111.28702	1.0
139.11293	23.6
156.13974	1.0
170.61459	0.9
172.09782	38.8
179.28056	0.8
182.11948	0.9
183.10258	12.8
186.11340	1.8
200.12932	100.0
201.11310	1.6
353.24582	1.0
360.49466	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.3
57.25558	0.9
59.01371	1.2
83.05025	1.1
97.06578	9.1
105.02693	1.2
114.13293	1.1
123.08155	4.8
125.09712	100.0
152.10817	5.3
153.12863	4.8
169.13315	1.3
197.11885	8.3
209.15424	4.7
214.14519	39.2
215.12889	1.5
247.12834	1.3
278.21228	5.2
322.20233	7.5
339.22925	89.1
348.23917	1.3
371.16821	1.2
371.21072	1.7
371.25577	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	372.0938
Annotation	(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-1,4-benzoxazin-3(4H)-one
Peak:m/z	Relative Intensity
57.03440	1.3
59.01097	1.6
59.01377	24.4
67.01881	1.1
68.99805	2.5
69.03445	1.0
71.01376	13.3
72.99286	1.2
73.02945	1.6
75.00873	18.1
78.03491	1.2
81.03431	1.3
82.92662	1.1
83.01376	0.9
83.05064	1.2
85.02945	18.1
85.25772	0.9
87.00840	8.2
89.02435	4.8
95.01371	6.2
99.00865	9.8
101.02462	1.1
113.02429	23.6
115.00327	2.0
117.01924	5.1
122.02467	90.2
129.01923	1.7
139.32576	1.2
147.04507	2.0
163.78461	1.1
164.07149	12.5
175.02448	1.4
231.05098	2.5
249.06174	89.8
266.07697	1.3
269.54456	1.0
372.09406	100.0
372.18970	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	372.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18113	1.0
58.02988	9.8
61.67789	1.1
64.98669	1.2
83.26747	1.5
84.04556	2.9
87.05612	2.2
88.04029	1.7
88.23937	1.3
94.20522	1.2
102.05609	29.2
128.03535	72.7
130.05089	5.9
130.08765	13.9
130.09630	2.0
140.07211	1.7
146.04581	24.8
150.88197	1.3
157.13445	9.1
166.08734	15.3
166.95024	1.4
171.15033	3.0
181.13530	5.7
183.11433	2.6
200.14081	3.1
215.13976	3.0
224.13957	4.7
226.59561	1.5
242.18753	13.4
243.13525	22.8
268.16745	1.5
286.17780	1.9
328.18848	1.5
372.17801	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2142
Annotation	Ile Leu Glu
Peak:m/z	Relative Intensity
53.94254	0.6
61.98836	1.3
63.43056	0.8
66.45468	0.8
66.70567	0.7
78.95940	1.4
84.04533	8.7
102.05602	31.3
128.02586	2.1
128.03535	52.6
129.10301	7.5
130.08719	11.5
138.83620	0.8
139.08775	1.6
146.04596	18.0
170.42477	1.0
171.00754	1.2
171.15070	9.8
195.14938	1.2
197.02274	0.9
197.16656	5.0
199.18156	5.7
202.33847	0.9
215.14069	1.6
223.10942	4.9
225.16078	19.0
242.18732	6.0
243.17178	27.1
252.97160	0.9
254.56241	0.8
260.55588	0.9
284.23553	5.2
328.22467	7.6
372.14081	2.5
372.21451	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53179	4.1
54.72361	4.9
55.69218	4.2
59.01377	100.0
93.00439	5.4
119.70650	5.2
180.11179	4.7
328.19986	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	372.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57472	20.8
55.04369	20.6
59.01367	100.0
62.41059	24.3
63.33070	20.5
65.50366	21.4
84.46532	21.3
108.10205	23.2
115.92172	23.9
118.15160	23.3
128.07281	28.3
155.74834	24.4
202.10248	25.8
249.07549	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	372.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
80.01176	1.2
85.03128	1.1
91.54002	1.2
98.35369	1.2
113.69366	1.1
116.41811	1.1
116.58748	1.2
120.38936	1.2
123.74203	1.1
149.36003	1.4
163.17497	1.4
193.40515	1.3
315.36612	1.4
354.01874	1.3
372.17841	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	372.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60653	1.0
59.01383	100.0
61.56659	0.9
61.79814	0.9
64.06763	1.0
68.33646	1.0
96.09943	1.0
106.14158	1.1
109.13595	1.1
113.58443	1.0
137.72142	1.0
143.27016	1.0
155.14468	1.1
157.78310	1.0
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
54.51734	0.4
59.01383	100.0
78.23096	0.5
103.76619	0.5
115.92088	1.2
184.95969	0.7
216.71690	0.6
261.55792	0.7
312.25519	4.0
341.87927	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
68.89181	0.6
83.28259	0.5
92.23063	0.7
104.53911	0.6
105.53658	0.6
152.03812	0.6
191.34216	0.8
252.06204	0.7
252.12221	1.1
287.81812	0.7
291.77951	0.6
312.25461	1.3
340.13739	1.5
366.33862	0.7
384.71677	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
79.79202	0.8
83.92632	0.7
88.76750	0.7
92.23116	1.4
106.40468	0.8
131.83238	0.7
148.30345	0.8
150.79720	0.7
155.29977	0.8
170.11873	1.4
312.25391	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	373.0454
Annotation	Sulfoquinovisyldiacylglycerol
Peak:m/z	Relative Intensity
59.01352	0.9
60.22947	0.9
69.17725	0.9
73.18600	0.9
89.04269	6.1
91.02206	3.5
92.23055	1.4
94.18262	1.0
103.25610	1.2
107.07385	0.9
134.31822	1.2
150.98875	9.1
169.00032	1.1
208.97621	22.4
218.15884	1.1
225.00778	79.6
243.01846	4.7
266.96396	9.0
282.99466	6.0
297.29160	1.1
315.68063	1.0
337.17902	1.5
340.98190	4.8
357.01419	100.0
358.99438	25.2
373.04535	48.3
375.02423	20.3
393.71725	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42426	0.7
59.01377	8.6
66.25246	0.7
74.99074	1.1
89.04284	5.2
91.02232	1.7
147.19676	0.9
149.44406	0.8
150.98846	10.5
155.21661	1.1
167.49950	0.8
185.36482	0.9
208.97633	19.2
225.00771	87.0
243.01811	6.4
266.96371	8.8
282.99225	7.1
340.98297	5.8
353.33804	0.9
357.01419	100.0
358.99335	30.3
373.04550	61.1
373.09323	2.0
375.02499	25.3
388.66113	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55231	0.3
59.01371	2.0
65.38716	0.4
107.44881	0.4
124.01732	0.5
125.02436	41.2
128.03531	0.5
137.99550	0.6
139.00372	0.4
152.01106	0.6
153.01933	33.8
154.02676	1.8
167.03459	3.8
168.00702	0.6
168.04274	16.6
169.01419	100.0
169.05058	4.7
183.59941	0.4
191.03665	0.6
193.05156	0.6
209.04543	2.0
239.05533	0.5
253.07259	0.9
266.61792	0.4
313.09290	2.1
373.07419	8.3
373.11465	3.2
373.15933	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70467	0.8
57.97560	2.3
59.01382	5.2
64.32957	0.9
64.73728	0.9
67.70555	0.9
68.55338	0.9
70.81425	0.9
83.02505	21.6
85.04079	5.1
98.03591	57.4
100.63092	1.1
110.03594	47.3
116.05070	4.8
124.05135	1.1
126.99657	2.9
138.03130	1.4
140.00493	4.5
140.04660	100.0
141.01300	1.7
142.06609	1.3
143.04659	1.5
150.03119	1.5
152.04659	34.3
157.07712	1.1
166.06230	2.1
181.12323	1.2
213.76572	1.0
228.11252	2.1
241.10945	5.0
253.11086	1.8
270.07025	1.1
272.10394	4.0
279.08914	3.6
283.12006	20.3
285.09961	1.5
295.12091	15.1
295.91122	1.1
297.09695	1.0
314.06049	3.8
327.11014	46.9
331.08707	2.5
339.10986	25.8
354.00385	1.1
373.09924	17.9
373.14441	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	373.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68577	0.2
59.01382	0.8
63.08898	0.2
71.01345	0.2
81.03456	0.5
83.01384	0.8
109.02935	0.2
115.14333	0.2
123.04515	11.0
125.02437	13.7
139.04056	0.2
149.02455	2.4
149.06026	0.8
151.00398	0.4
153.57642	0.2
167.03499	100.0
185.37622	0.2
191.03534	2.1
193.05069	10.0
209.04567	1.0
211.06129	9.8
229.71478	0.2
230.36504	0.2
329.08804	6.5
373.11340	6.1
373.15402	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02976	1.7
64.98686	0.7
74.02467	11.5
84.04546	3.4
86.02467	13.4
88.12776	0.8
92.05034	3.8
92.22505	1.1
100.28421	0.8
109.06581	10.4
126.09195	2.2
131.03757	13.9
132.04547	21.1
134.09770	3.6
144.04553	4.8
146.06146	1.6
152.10831	6.9
157.07689	30.8
158.06049	13.3
166.08676	2.1
175.08765	18.8
178.08740	2.0
184.09824	1.7
196.09743	1.1
201.06627	4.4
215.84058	1.0
219.07759	29.8
219.09883	1.3
228.08855	1.2
240.08775	2.0
245.83894	0.9
267.15259	1.5
355.13086	2.0
373.14059	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22615	0.7
59.01374	1.6
63.65137	0.7
75.68927	0.7
108.04501	0.7
122.06066	1.3
138.05666	0.9
190.05103	0.9
203.05865	1.0
217.26018	0.7
218.04709	1.1
224.09705	1.0
226.08720	1.4
230.04602	1.6
234.07724	1.0
235.08617	1.0
236.06013	1.1
246.53427	0.9
250.07190	7.1
251.08290	5.4
252.06668	7.5
252.09065	2.7
253.09767	7.5
270.07535	1.1
279.07712	9.0
281.05719	1.0
281.09106	0.9
283.10660	1.1
284.09286	16.8
293.09283	3.3
296.08160	1.6
297.08914	0.8
311.10425	69.0
316.11926	3.5
323.10361	6.6
332.64169	0.8
341.11493	4.8
343.13049	44.1
355.13031	3.3
373.14093	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32633	0.5
50.52092	0.5
51.33489	0.6
56.41804	0.5
56.69952	0.6
59.01384	13.3
71.01382	3.9
73.02941	3.2
79.72049	0.5
81.41098	0.6
89.02454	3.6
99.04511	1.6
101.02459	2.8
108.04554	10.8
113.02434	2.2
115.21829	0.6
119.03486	2.7
137.09677	0.7
155.10797	2.5
160.56300	0.7
181.12361	8.1
194.08223	15.3
199.09770	1.1
225.11232	1.4
230.04463	0.9
234.08072	2.4
235.08824	1.0
237.06613	1.0
251.08318	7.1
252.06580	1.2
252.09102	2.5
253.09859	8.0
263.08264	1.3
269.09317	1.0
279.07813	6.3
281.09259	1.0
283.11008	2.5
284.09305	7.7
293.06552	0.7
293.09296	5.5
296.08102	2.7
297.08609	1.0
311.10419	69.6
313.12759	0.8
316.11835	1.4
323.10529	8.2
329.11337	5.9
341.11453	6.2
343.13022	24.8
355.12897	2.9
373.10400	5.1
373.14209	100.0
373.18689	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	373.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31297	2.6
57.03445	26.6
59.01388	26.0
62.48447	3.6
69.14866	3.2
71.01395	4.5
73.02911	5.1
75.34731	3.5
83.01391	4.1
83.05033	3.8
85.02946	100.0
87.04506	4.6
93.12553	3.1
95.05049	5.7
95.32153	3.1
98.09791	3.3
98.76649	3.5
101.02415	3.7
111.00871	25.8
111.31567	3.8
113.06057	13.0
113.51588	3.1
122.21973	3.7
129.01942	31.7
154.54189	3.9
163.11290	3.6
165.12801	7.0
167.10745	7.2
181.12341	22.1
197.11795	4.7
199.13373	49.1
205.03471	25.9
209.11765	29.3
227.12921	16.9
241.14377	5.5
243.12357	63.6
303.82343	3.5
341.19656	20.3
373.14902	7.9
373.22147	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	373.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47543	1.3
52.71399	1.3
59.01381	100.0
65.18699	1.2
71.01379	7.6
81.40709	1.3
85.02956	2.9
89.02448	1.8
101.02434	6.3
102.05575	2.4
128.03517	6.9
128.38358	1.5
129.03894	1.8
133.06583	21.8
151.07646	63.4
153.01952	3.0
161.04507	9.0
175.09735	2.6
181.01544	2.0
182.02148	2.1
295.06113	6.4
310.08829	1.7
313.12912	6.0
325.10880	2.0
343.19540	1.8
373.11322	7.6
373.18326	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	373.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03305	0.8
56.72043	0.8
59.01382	100.0
60.34174	0.9
62.57224	0.9
64.61983	0.8
67.08178	0.8
71.01389	8.0
73.02943	0.9
75.19592	0.9
85.02947	4.0
101.02431	5.3
108.52898	1.0
113.02459	3.6
124.01627	4.0
132.80779	1.0
136.01625	1.4
139.04015	23.4
151.04007	8.2
151.07642	40.6
152.01157	4.4
153.01904	1.3
161.04507	13.5
165.01942	2.2
167.03490	61.7
169.01447	1.5
175.67982	0.8
176.83513	1.0
193.01456	1.3
209.50639	1.1
223.51639	1.0
228.17210	1.2
313.13031	5.2
329.08731	2.0
373.07672	16.0
373.15085	3.7
386.11826	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20207	0.9
54.82651	1.0
59.01383	2.0
62.01129	0.9
63.96243	52.5
64.97019	1.3
68.09225	0.9
69.03413	1.3
74.02469	5.0
75.92181	1.1
79.95737	78.1
80.96515	27.3
95.04944	1.0
96.95989	4.5
99.91855	1.0
108.55458	1.5
111.93938	1.1
119.98788	1.1
168.10269	2.3
171.10271	4.5
173.06392	1.9
183.13867	11.1
189.05920	21.6
195.13947	1.8
201.11317	5.5
209.11826	2.1
212.09279	1.4
223.17056	5.7
224.39485	1.1
235.16998	1.4
271.69373	1.0
275.20114	7.1
286.64111	1.0
291.19675	4.2
293.21289	16.1
355.15921	5.0
373.16962	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10673	0.7
55.01876	0.9
59.01382	79.7
68.71562	1.0
69.34395	0.7
71.01379	33.0
72.99298	0.9
73.02930	1.5
75.04946	0.9
83.01382	2.0
84.89274	0.9
85.02950	9.7
89.02437	36.4
95.01388	1.8
97.06482	0.9
99.00891	1.1
99.70745	0.8
101.02437	26.2
102.15646	0.8
113.02456	15.7
119.03487	13.8
137.93251	0.8
139.33015	0.8
161.04544	2.0
234.99979	0.9
244.72787	0.8
286.46964	1.1
373.18701	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	373.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51748	0.3
56.60266	0.3
59.01382	100.0
59.45424	0.4
65.57958	0.4
71.01379	3.8
73.02944	2.0
85.02940	0.9
89.02435	3.7
101.02412	3.5
113.02457	2.7
118.10155	0.4
161.04559	0.8
177.71126	0.4
179.05605	0.7
179.10909	0.4
190.94501	0.4
190.96175	0.4
219.90431	0.4
232.20757	0.4
307.78436	0.4
331.17786	0.9
373.18744	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04096	3.9
63.01451	0.7
67.56676	0.7
70.90459	0.7
74.03590	33.2
90.40433	0.7
96.65547	0.7
98.02477	4.0
98.20617	0.8
99.00890	11.9
100.04021	1.0
116.03514	1.4
118.05096	100.0
121.19329	0.7
123.09158	0.7
123.92332	0.8
133.06189	7.6
142.25656	0.7
169.12331	2.9
175.08363	93.3
183.69138	0.9
197.11842	29.3
197.13554	1.6
200.48207	0.8
221.13004	7.0
227.36128	0.8
254.15213	1.8
355.19821	11.2
373.21082	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	373.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17551	1.6
55.01880	3.1
56.63343	1.6
57.03445	4.0
58.00600	2.0
59.01381	75.4
65.44644	1.9
71.01376	64.0
73.02947	30.0
75.00887	2.1
83.01378	21.8
85.02943	43.3
87.00834	2.9
88.90430	1.6
89.02422	9.5
89.72667	1.7
91.39330	2.1
95.01366	3.1
99.00894	14.6
101.02431	69.2
109.06590	2.3
113.02419	32.3
122.78675	1.8
131.03722	3.7
132.04530	14.0
152.07112	4.5
152.10765	8.1
157.07695	2.0
159.03003	3.4
161.04546	38.1
175.08748	2.6
218.04536	3.6
219.07703	4.5
297.12384	2.2
311.10443	3.7
341.11505	8.5
373.14426	49.2
373.22330	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46169	2.0
55.01886	3.3
57.03451	5.5
59.01380	52.7
61.66851	2.4
64.83854	2.1
65.88661	2.2
68.49358	4.0
71.01376	67.4
73.02943	25.0
76.25623	2.4
83.01395	15.7
85.02943	37.2
89.02457	11.7
95.01408	4.4
99.00848	4.5
101.02440	67.3
104.31982	2.4
107.56322	2.6
111.00953	2.5
113.02437	32.7
121.03009	3.5
136.05295	3.1
147.04570	3.4
159.02962	12.2
160.05275	2.8
161.04572	39.2
175.07587	3.2
210.98279	2.7
253.04877	2.7
283.09659	4.5
284.10513	19.4
329.14090	27.9
337.09152	4.2
373.12906	27.2
373.22360	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.275
Annotation	Unknow
Peak:m/z	Relative Intensity
80.78743	0.9
113.65830	0.9
117.03435	9.6
118.04240	9.4
119.05016	32.0
121.02950	8.4
123.04525	2.4
145.02956	49.5
162.03215	6.5
163.04001	21.1
184.29752	1.0
229.05803	1.0
331.03613	1.0
373.27524	100.0
379.59662	1.0
387.05246	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
69.67579	0.4
78.95901	7.2
107.03641	1.0
110.98529	9.3
118.05138	0.5
134.04727	100.0
140.42439	0.5
146.04575	0.5
150.46080	0.5
167.01132	2.1
169.47931	0.5
176.27261	0.4
211.02319	0.5
239.03290	4.5
348.24371	0.5
374.08734	38.4
374.15894	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.132
Annotation	Haloperidol
Peak:m/z	Relative Intensity
53.28080	1.9
53.47070	1.9
54.98568	1.7
91.03008	2.5
96.02143	2.2
99.92586	48.5
115.92071	13.2
116.92847	11.2
118.89967	49.5
134.89449	5.0
135.90257	20.6
142.91298	2.4
255.23340	26.7
338.15619	15.1
355.76614	2.7
374.13229	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.157
Annotation	Glu-Asp-Ile
Peak:m/z	Relative Intensity
51.50465	1.1
55.87202	1.1
57.67442	1.2
59.61297	1.3
66.03484	1.7
82.02997	2.3
110.02460	46.9
111.01985	14.5
122.02445	3.6
130.08723	86.4
132.01918	1.5
136.08025	1.4
140.03578	8.2
151.93326	1.5
152.03535	12.1
153.03102	2.1
153.53323	1.5
154.36835	1.6
180.06671	12.3
200.05627	18.7
215.94846	1.6
219.44824	1.5
243.06204	100.0
291.38403	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	374.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19730	1.5
59.01371	1.6
59.82211	1.3
91.05528	21.6
147.04518	24.3
164.07173	66.6
165.12889	2.3
182.15517	3.3
223.21909	1.7
268.20755	8.1
312.19745	9.4
330.20905	2.7
356.18695	9.4
374.19769	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.5
66.88431	0.3
69.26892	0.3
70.88535	0.3
72.00896	4.0
111.08134	0.4
120.74094	0.4
147.03322	0.6
147.04523	24.2
164.07173	100.0
165.12827	4.2
197.20712	0.4
209.11784	0.4
328.46536	0.4
358.05853	0.4
374.19754	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	374.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04123	17.2
50.23102	17.1
59.01387	100.0
59.42841	16.5
59.88331	19.0
60.83473	19.2
66.89073	19.4
67.44895	22.6
83.45295	20.9
95.14714	21.6
122.63321	20.6
145.26674	19.1
152.05260	22.9
153.90363	20.0
195.12347	25.6
201.62352	23.3
211.43195	26.4
313.88602	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	374.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
62.82979	8.8
68.72326	9.1
69.11051	9.0
72.95316	9.6
141.25307	10.3
160.59300	11.0
343.36502	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	374.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44714	0.6
59.01383	100.0
68.90532	0.7
79.53217	0.7
130.60080	0.7
314.27023	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	374.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
59.23626	0.3
72.88766	0.4
75.39568	0.4
77.18464	0.3
112.20024	0.4
120.91735	0.5
131.91324	0.4
154.18994	0.4
156.43451	0.4
212.16609	1.6
314.27115	6.2
349.45544	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06956	0.4
53.72304	0.4
59.01384	100.0
61.01793	0.5
64.59324	0.5
123.30196	0.5
146.77965	0.5
181.46721	0.6
181.91966	0.6
198.16866	0.6
218.86891	0.5
222.54648	0.6
256.17270	0.6
314.27130	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	374.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11230	0.5
56.08272	0.6
59.01381	100.0
61.84745	0.5
66.44716	0.5
68.36818	0.5
82.30671	0.5
85.13548	0.6
92.23112	0.7
125.39388	0.6
201.20093	0.6
212.16515	1.2
223.98029	0.7
294.24371	0.6
314.27100	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	374.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
79.98096	0.6
100.59251	0.6
118.32547	0.6
129.28462	0.6
203.84515	0.7
280.17075	0.8
314.27051	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	375.1063
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26173	1.9
54.82936	2.0
58.00602	2.9
59.01382	25.2
60.84183	2.0
61.98825	3.0
65.66563	2.2
71.01392	16.8
75.66040	2.3
84.33154	2.3
85.02948	3.2
87.00893	3.1
88.04031	2.9
89.02441	18.4
101.02438	14.6
113.02420	6.0
116.92867	2.9
117.01883	3.2
119.03452	5.2
123.04497	2.5
128.03571	2.7
135.04507	2.9
139.82951	2.5
145.02905	5.6
145.66423	2.5
147.04445	3.5
149.02451	17.7
149.04497	2.8
150.03212	44.1
161.02454	3.3
161.04527	10.0
161.96268	3.2
162.03220	16.4
164.04799	29.1
165.05550	100.0
165.06955	3.7
177.05563	5.3
180.90080	2.7
195.06554	23.6
207.08727	3.0
234.33865	2.5
327.10965	16.9
339.12930	17.7
357.12057	3.6
374.75259	2.9
375.10446	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	375.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18481	0.7
50.55471	0.6
54.46163	0.6
59.01381	14.8
67.95574	0.7
70.12573	0.7
71.01381	1.7
73.02953	1.0
82.02979	23.1
83.01376	0.8
83.05047	1.3
85.02979	1.1
85.40450	0.7
91.22763	0.7
92.43327	0.9
101.02470	1.3
124.04022	1.1
134.06125	0.9
136.04041	3.4
136.07671	1.3
146.06204	1.1
150.01973	1.2
158.37643	0.8
160.83327	0.8
178.05190	1.1
188.07176	14.1
190.08725	4.5
195.10280	3.8
206.34688	1.0
209.11772	1.3
212.07257	1.1
213.07979	0.9
214.08752	7.3
215.08177	0.9
216.06644	10.8
228.10269	1.1
229.09798	4.6
235.08643	1.1
239.05830	1.2
240.06654	3.4
241.06204	5.0
242.06934	1.6
243.12431	1.1
253.09770	1.8
254.08200	5.5
255.07828	3.5
256.08630	6.7
257.09314	20.5
269.09491	1.1
270.06772	1.6
270.10117	7.0
271.10910	10.7
272.09106	1.5
281.09381	5.8
282.07739	17.8
283.08350	1.0
284.08151	1.6
297.08820	4.1
299.10385	100.0
310.42249	0.8
325.08267	3.3
343.09381	67.8
357.14719	1.5
375.11963	13.0
375.16275	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	375.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45302	0.3
53.85475	0.3
59.01376	3.1
61.73261	0.3
79.11915	0.3
84.08552	0.3
85.35529	0.4
90.65906	0.3
92.23194	0.4
101.02493	0.4
103.62012	0.3
149.02428	0.4
169.07686	0.5
178.52376	0.3
184.08769	2.7
185.07066	0.3
191.21509	0.4
198.06764	1.6
207.24101	0.3
212.08302	31.8
226.98207	0.3
240.06570	3.2
241.07329	14.6
243.17197	0.4
255.08893	100.0
257.10413	0.4
295.12833	0.4
375.13092	21.4
375.22327	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	375.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39425	1.0
59.01406	1.3
59.18625	0.9
76.26480	1.0
92.23187	1.4
93.50960	1.1
110.06106	2.8
122.06092	13.5
144.04530	11.6
148.07687	4.9
149.02448	1.3
162.05606	2.2
172.03976	1.6
176.07242	1.7
188.03581	10.9
193.86189	1.2
203.05890	70.6
204.06644	21.3
216.50035	1.1
220.06236	6.4
234.07822	1.7
235.04927	1.7
235.08499	67.7
237.06346	1.1
238.07216	2.4
249.06381	2.0
266.06778	2.3
267.07486	51.3
305.53848	1.3
313.11993	6.7
325.12070	11.1
343.13211	1.6
345.14581	33.7
357.14597	100.0
361.85129	1.5
375.15646	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	375.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76957	0.9
59.01379	1.0
74.02460	9.3
76.14584	1.1
83.05004	2.1
86.02474	8.4
92.05061	2.2
100.00414	1.4
111.08145	47.5
128.10779	1.3
129.97586	1.2
131.03770	6.3
132.04564	16.9
136.11226	1.6
146.06111	1.4
157.07710	14.7
158.06105	11.3
168.10265	2.2
172.09810	10.5
173.08276	1.5
175.08748	7.7
176.82056	1.1
180.10333	5.0
198.11418	8.9
201.06676	2.4
212.09279	2.4
219.07788	15.0
224.09291	1.4
230.10403	1.8
242.10236	2.5
313.15594	2.0
331.16690	2.4
368.47174	1.2
375.15643	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	6.6
60.13448	0.7
61.06036	0.6
70.11330	0.8
72.04549	0.8
74.02470	32.7
85.02930	0.9
110.06100	1.5
116.05058	12.1
124.07668	5.3
127.07646	18.2
128.07167	5.2
129.65617	0.8
130.06601	0.8
142.06615	1.8
142.08670	0.9
159.09296	4.4
166.08698	1.2
171.10309	1.5
176.66475	0.8
184.09784	10.9
186.07729	20.9
203.08281	67.0
228.08682	0.9
269.16724	1.6
271.14526	5.0
313.15643	4.8
315.13556	19.0
333.13089	0.8
357.14661	6.6
375.15652	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	375.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70880	0.5
52.74149	0.5
59.01382	1.5
61.63204	0.6
72.04533	0.7
72.78848	0.5
74.02467	25.2
97.06570	1.4
99.97073	0.6
100.00394	0.9
100.89622	0.6
106.06630	0.8
109.06580	2.5
111.08134	1.6
114.09336	0.8
116.05070	6.3
121.53942	0.6
124.07671	1.2
127.07642	27.3
128.10791	1.0
142.08749	3.8
143.07109	0.7
156.10266	4.4
159.09261	1.2
166.08713	1.2
171.06644	0.8
184.09860	6.6
184.68245	0.6
189.07674	1.0
192.38835	0.6
199.11929	0.7
200.09326	1.1
202.10901	0.9
203.08263	21.4
207.56662	0.7
228.08771	3.2
246.09892	5.5
285.09265	2.7
285.16061	10.9
286.14484	1.3
313.15695	1.3
316.81940	0.8
329.15030	0.8
331.16879	1.0
375.15649	100.0
375.19757	3.5
377.87662	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.3
59.01393	0.7
61.86815	0.3
68.53175	0.4
73.02945	3.0
80.67320	0.3
81.48658	0.3
83.13795	0.4
87.00873	2.4
92.23167	0.8
92.81472	0.4
111.08152	0.5
114.92547	0.4
147.02977	0.6
156.07191	0.4
165.04048	3.7
165.12849	19.2
166.66542	0.5
173.79176	0.4
183.13908	100.0
185.45160	0.4
209.11815	1.6
217.82607	0.4
227.12918	36.7
366.40701	0.4
375.16620	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	375.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.9
64.92040	0.9
69.05588	0.9
70.42744	0.8
71.01362	1.2
74.17876	0.8
75.00872	4.5
85.02927	2.0
98.03517	0.8
112.65343	0.9
125.09711	4.5
129.01944	4.5
129.61749	0.9
147.02979	4.0
165.04051	16.3
165.12854	20.5
171.53432	1.0
183.13905	100.0
187.09709	3.7
227.12901	33.1
261.13330	1.2
375.16602	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	375.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58820	0.9
52.92718	0.7
55.61121	0.7
56.11026	0.7
57.03447	1.7
59.01384	12.1
71.01369	1.7
71.05013	7.4
71.56664	0.8
83.20789	0.8
84.01354	0.8
85.02940	1.9
85.06570	4.0
85.58235	0.8
91.64133	0.8
91.64698	0.8
101.02450	3.4
111.08166	2.7
113.02438	1.4
116.23913	0.9
118.71667	0.8
125.09698	8.4
131.03500	0.9
141.42842	0.8
148.61150	0.9
149.04559	4.7
153.12860	4.6
157.08672	5.7
163.11357	1.1
169.41187	0.8
181.12352	28.1
194.64493	0.9
197.11836	4.7
199.13417	100.0
225.11359	1.7
243.12386	48.9
289.16592	0.9
375.08810	3.8
375.16605	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	375.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65846	1.2
59.01380	100.0
71.01374	40.5
73.02940	19.0
75.00842	2.0
83.01383	6.7
85.02943	23.6
87.00869	7.1
89.02430	2.5
90.53326	1.5
96.16914	1.5
99.00877	6.4
101.02439	40.0
113.02435	24.3
125.74037	1.4
127.69766	1.3
138.06828	1.5
148.11363	1.5
153.09212	17.2
159.02951	3.2
161.04538	41.9
233.73706	1.5
248.48410	1.4
304.42169	1.6
315.14502	88.0
335.77631	1.5
375.12656	1.7
375.16803	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	375.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24017	0.6
54.86444	0.6
59.01382	66.0
67.00946	0.6
71.01375	29.0
73.02935	1.9
73.27988	0.6
76.22807	0.8
78.02709	0.7
83.01369	3.6
85.02952	7.2
89.02435	34.9
95.01408	3.0
101.02432	24.2
108.44765	0.8
113.02432	14.3
119.03486	13.2
119.25356	0.8
119.51559	0.7
137.36331	0.7
140.83020	0.7
150.88855	0.7
161.04442	1.7
168.56152	0.7
169.12315	1.5
177.09142	1.0
179.05579	4.7
205.03787	0.8
289.66364	0.9
357.15448	5.6
375.16620	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36365	1.1
51.69080	1.0
52.46133	1.3
59.01383	2.3
59.17762	1.2
63.96238	50.3
64.69719	1.2
79.95734	89.3
80.96507	6.1
85.02942	6.0
96.96007	5.6
125.09806	1.7
129.01953	2.8
132.99635	2.8
149.76532	1.5
171.10358	1.7
175.07875	1.6
183.13927	11.6
191.07495	26.8
195.13924	3.2
201.11275	2.6
277.21643	7.6
293.21362	2.3
295.22766	20.5
343.17105	1.4
357.17560	2.5
375.18469	100.0
382.61246	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	375.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.0
60.34289	0.6
78.95904	1.8
96.96935	1.0
105.22880	0.8
107.65072	0.8
159.08488	9.4
170.04913	0.8
291.09140	85.2
355.09018	0.9
359.15387	100.0
375.18512	24.9
375.26276	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	375.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39356	1.4
55.01890	1.6
57.03453	2.0
59.01382	100.0
71.01376	52.0
71.66649	1.3
73.02936	9.3
83.01391	7.7
85.02944	19.6
89.02437	34.4
94.53255	1.8
95.01377	3.6
99.00856	3.3
101.02441	35.1
113.02438	19.0
119.03481	12.6
161.04533	10.2
176.79808	1.8
183.13841	3.4
303.92981	1.7
331.21289	17.6
375.20264	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	375.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.27713	1.8
63.96236	3.5
78.97640	1.5
79.95735	3.6
96.10208	1.6
101.02442	2.0
106.32024	1.8
161.04576	2.1
199.58258	2.3
253.79971	1.9
262.83960	1.7
272.39865	1.9
315.18250	2.6
375.20343	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	375.2026
Annotation	Enalapril
Peak:m/z	Relative Intensity
50.76263	0.6
59.01381	40.5
60.19011	0.7
71.01374	18.2
73.02931	1.1
77.91364	0.6
85.02944	3.6
86.82844	0.7
87.34130	0.6
89.02439	21.0
95.01367	1.6
101.02435	17.2
113.02438	12.1
119.03483	5.8
130.82480	0.8
171.40755	0.9
183.13940	1.2
195.13918	12.9
213.15002	5.7
320.64233	0.7
327.56107	0.9
375.20276	100.0
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
50.12916	0.3
51.64986	0.4
59.01382	100.0
71.01387	1.9
73.02965	0.6
85.02955	2.2
87.89539	0.5
89.02483	0.5
101.02456	2.3
113.02446	1.0
161.04559	0.8
183.13939	1.0
236.27965	0.5
297.80869	0.5
315.18219	6.5
375.20468	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	375.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34003	1.0
52.82453	0.9
54.98062	0.9
57.03464	1.5
59.01378	16.1
73.85906	1.2
113.09724	18.0
120.17016	1.1
137.37729	1.3
138.30870	1.3
149.09720	2.7
185.11847	1.3
195.13844	3.1
205.07994	1.5
247.20685	2.3
249.22234	1.8
293.21252	55.8
315.19455	100.0
375.21432	7.7
375.25577	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	375.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41957	1.3
54.36996	1.4
54.66378	1.6
59.01380	23.8
78.35170	1.5
79.39141	1.3
95.29778	1.5
121.10225	34.5
126.87125	1.5
126.88110	1.7
134.89320	1.8
162.47165	1.9
171.10258	55.3
175.58699	1.5
177.16512	2.1
183.10277	1.9
183.13963	2.7
231.21214	3.2
244.93454	1.7
246.12744	1.9
267.77390	1.9
275.20172	66.7
278.11307	2.8
293.21246	59.6
315.19470	32.3
359.18738	2.2
375.21494	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77720	1.6
54.70570	1.6
58.57166	1.9
59.01381	23.8
79.98505	1.9
82.51691	2.0
86.31136	2.3
95.05019	34.5
131.93449	2.2
150.02963	3.7
151.04021	2.0
153.16695	2.3
189.05402	2.1
195.13951	17.4
196.14699	2.6
217.08470	2.2
223.13361	19.9
246.12364	26.7
269.17422	2.2
275.20145	11.7
278.11371	61.6
293.21246	100.0
315.19446	55.5
338.12369	7.8
375.21494	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	375.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25524	0.9
59.01392	9.3
73.16705	0.8
81.83485	1.0
83.99272	0.8
85.68199	0.8
101.97328	1.1
112.35387	0.9
125.09705	5.6
129.87213	0.9
141.12799	1.7
149.09706	1.8
185.11816	15.6
193.11736	0.9
197.11890	4.1
201.43661	0.9
249.22157	1.8
293.21252	100.0
315.19455	39.0
375.21490	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	375.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78735	0.9
56.81384	0.9
59.01384	13.9
70.17976	0.9
115.84381	0.9
123.08102	1.2
125.09705	7.7
134.90962	0.9
147.72624	1.0
167.14511	1.2
167.91341	1.0
185.11815	18.3
197.11815	2.1
209.11749	1.1
238.82895	0.9
247.20709	1.3
249.22127	1.4
275.91910	1.1
293.21259	100.0
296.53125	1.0
315.19473	33.0
315.22580	1.1
375.21664	28.9
375.25931	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	375.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92611	0.7
57.03439	1.8
59.01379	11.3
70.15928	0.8
78.99107	0.8
83.24435	0.7
97.06588	1.2
97.79008	1.0
110.95651	0.7
113.09708	26.4
139.11305	1.1
167.10786	4.4
177.12764	1.0
179.10789	4.2
185.11832	1.9
195.13892	4.4
217.12070	3.9
247.20557	1.4
249.11024	1.4
249.22221	4.0
271.56665	0.9
272.13901	1.5
293.21255	70.3
297.18497	0.9
315.19470	100.0
375.21500	6.0
375.25937	1.1
388.28500	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	13.7
61.71896	0.9
78.12917	1.0
113.09715	20.5
125.09701	1.1
141.04338	1.1
149.09735	2.0
167.10751	4.4
171.10280	2.5
179.10806	2.5
185.11707	1.4
195.13885	2.5
201.32935	1.2
215.10529	1.6
217.12128	5.3
249.22240	2.3
272.13846	4.3
275.20233	2.0
293.21274	74.7
306.24457	1.2
315.19467	100.0
375.21481	6.1
375.25858	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	375.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	4.1
59.01375	5.2
69.03441	0.7
73.23059	0.8
73.40984	0.8
77.58101	0.7
80.71272	0.7
83.05005	3.3
85.02928	1.7
85.13638	0.7
87.04503	24.5
95.05000	3.9
97.06538	1.0
113.06063	1.6
125.09735	1.9
127.11263	1.1
137.09673	1.0
141.51393	0.8
143.39183	0.8
152.99574	1.7
159.77930	0.9
163.11282	1.0
171.10262	19.9
188.66005	1.0
193.12311	5.1
201.11391	6.9
209.11884	1.1
211.13371	4.0
225.14894	7.4
237.14995	7.5
243.16016	17.3
251.16510	1.6
255.15796	0.9
287.18631	3.3
303.83313	1.0
364.85376	0.9
375.23920	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	376.0666
Annotation	7-Methylguanosine 5'-phosphate
Peak:m/z	Relative Intensity
51.47608	0.5
77.45145	0.6
78.95894	5.9
82.52940	0.5
107.03630	1.0
108.02026	0.9
110.98527	10.7
133.01553	22.5
148.05112	0.6
150.04213	100.0
154.52122	0.6
192.99066	1.1
196.75844	0.6
201.28156	0.6
225.01640	3.8
233.71858	0.6
376.06677	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	376.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98811	1.2
63.96243	47.0
64.97029	14.1
76.50641	0.5
79.95274	0.8
79.95736	23.8
79.96180	1.2
80.96511	11.6
88.70251	0.6
141.12863	0.8
154.05771	0.5
220.10126	14.2
236.09605	5.7
285.80432	0.6
376.21661	100.0
377.71912	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56917	0.6
57.03452	29.3
59.01384	6.3
61.85025	0.7
67.60446	0.6
69.92239	0.6
84.63843	0.6
99.04511	60.8
99.95337	0.7
101.02438	24.0
102.01979	8.5
104.03826	0.6
104.66285	0.6
110.02486	0.9
112.98772	0.6
112.99890	1.1
124.99924	0.9
128.03531	1.1
130.01483	6.1
141.03111	0.9
142.99950	1.2
143.00920	4.8
145.02544	1.2
147.02986	1.2
154.99844	4.0
161.04553	100.0
161.13361	0.7
172.02470	0.9
173.00842	1.3
190.03435	2.6
215.03166	2.6
231.74512	0.7
233.04137	32.0
274.54379	0.7
293.79306	0.7
299.30338	0.7
317.05417	1.0
377.08405	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	377.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31827	1.6
57.03447	2.7
59.01371	12.0
71.01373	10.5
89.02443	17.0
96.96000	4.2
96.96944	8.1
99.04503	4.1
101.02436	10.9
107.66414	2.1
113.02405	7.6
117.07307	1.9
119.03468	7.5
161.04539	21.5
179.05615	3.7
201.75575	1.9
215.03242	7.8
215.14107	3.8
233.04216	2.2
341.10962	39.5
377.08566	100.0
377.19461	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	377.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	8.6
59.01378	17.1
71.01373	16.0
73.02943	2.3
84.83331	1.2
87.00850	2.3
89.02438	23.1
97.02956	1.9
99.04508	19.3
101.02438	17.0
113.02428	7.4
118.88364	1.3
119.03489	8.3
130.01457	1.7
130.05055	1.4
130.08730	32.4
133.05058	6.9
149.04536	9.7
161.04553	36.1
179.05585	7.5
215.03214	3.1
221.06625	5.4
233.04097	7.1
233.48418	1.3
235.20367	1.7
279.10776	2.6
281.08850	1.5
341.10849	28.4
349.85718	1.3
377.08557	100.0
381.50787	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	377.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	8.6
59.01378	17.1
71.01373	16.0
73.02943	2.3
84.83331	1.2
87.00850	2.3
89.02438	23.1
97.02956	1.9
99.04508	19.3
101.02438	17.0
113.02428	7.4
118.88364	1.3
119.03489	8.3
130.01457	1.7
130.05055	1.4
130.08730	32.4
133.05058	6.9
149.04536	9.7
161.04553	36.1
179.05585	7.5
215.03214	3.1
221.06625	5.4
233.04097	7.1
233.48418	1.3
235.20367	1.7
279.10776	2.6
281.08850	1.5
341.10849	28.4
349.85718	1.3
377.08557	100.0
381.50787	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	377.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22670	0.4
59.01382	3.9
63.50200	0.5
67.60851	0.5
69.77792	0.5
70.51376	0.5
71.01371	2.5
73.02951	0.6
79.53923	0.5
83.01424	0.6
85.02959	1.1
99.01954	0.6
101.02423	2.6
110.06141	0.7
113.02402	0.8
122.06075	4.4
135.80089	0.6
160.04013	17.1
161.04807	33.9
162.05692	0.6
175.18625	0.5
176.03815	0.6
193.03796	2.6
205.03807	100.0
253.09779	0.7
271.10898	3.4
283.10782	4.1
301.11963	1.3
317.05267	0.6
345.10944	53.7
355.99390	0.7
377.09088	1.4
377.13541	19.8
377.18161	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	377.1428
Annotation	Abafungin
Peak:m/z	Relative Intensity
55.91329	0.6
58.06507	0.7
61.85289	0.7
84.93872	5.5
99.92578	61.1
100.93367	14.4
110.86508	0.8
115.92073	19.7
116.92854	81.3
141.43114	0.8
160.46426	0.8
162.91942	0.7
210.27753	0.8
223.38124	0.9
308.07056	1.4
315.14493	0.8
359.13248	3.5
373.11139	1.6
377.14288	100.0
391.12396	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	377.1454
Annotation	Reduced riboflavin
Peak:m/z	Relative Intensity
57.03438	3.1
59.01102	2.4
59.01380	44.1
65.94612	1.2
71.01371	15.1
71.79155	1.3
85.02939	1.9
87.17279	1.3
89.02431	24.3
99.04492	2.5
101.02428	10.5
112.13319	1.4
112.16206	1.3
113.02441	6.8
119.03484	5.7
125.02437	1.5
135.08174	6.1
145.59900	1.4
153.09218	68.6
160.04042	5.5
161.04721	1.5
177.04216	2.8
197.08203	84.4
209.19487	1.3
219.05438	5.3
255.07646	2.6
257.09344	8.7
283.07196	6.0
315.10172	1.8
333.10867	1.5
337.02899	1.4
341.11292	1.5
359.12241	1.8
377.14468	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1454
Annotation	Reduced riboflavin
Peak:m/z	Relative Intensity
57.03438	3.1
59.01102	2.4
59.01380	44.1
65.94612	1.2
71.01371	15.1
71.79155	1.3
85.02939	1.9
87.17279	1.3
89.02431	24.3
99.04492	2.5
101.02428	10.5
112.13319	1.4
112.16206	1.3
113.02441	6.8
119.03484	5.7
125.02437	1.5
135.08174	6.1
145.59900	1.4
153.09218	68.6
160.04042	5.5
161.04721	1.5
177.04216	2.8
197.08203	84.4
209.19487	1.3
219.05438	5.3
255.07646	2.6
257.09344	8.7
283.07196	6.0
315.10172	1.8
333.10867	1.5
337.02899	1.4
341.11292	1.5
359.12241	1.8
377.14468	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40447	1.1
55.81855	1.0
55.96198	1.0
57.03435	1.2
59.01379	12.2
71.01392	6.3
78.95932	1.8
89.02431	15.9
99.04553	1.3
101.02457	5.3
110.98514	2.5
112.04073	2.5
113.02409	4.8
130.08731	100.0
133.01611	2.3
133.05084	4.6
150.04218	10.9
151.04637	9.1
161.04596	4.9
215.03326	7.7
238.28227	1.4
285.67523	1.3
313.13977	1.4
341.10886	29.5
346.65259	1.3
377.08640	71.5
377.15570	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	377.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89365	49.8
59.01390	83.8
67.90518	60.0
70.36592	60.6
71.32635	58.7
73.72878	54.2
90.19031	57.3
96.95994	100.0
100.76235	65.4
105.50887	53.5
361.19598	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	377.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03469	13.3
56.48328	12.9
59.01382	17.9
61.98827	100.0
68.69743	15.0
99.03123	15.0
101.51029	16.3
107.68655	16.3
115.04210	17.8
117.75271	14.4
118.11121	14.8
123.97846	14.2
136.62671	14.8
145.19228	14.4
151.54463	17.5
183.20685	16.7
206.16589	17.0
269.57404	16.6
338.57745	17.0
367.92166	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	377.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40536	58.2
72.75547	76.3
89.52155	66.7
125.94579	69.1
134.61325	72.8
178.56541	66.4
196.04791	72.3
255.06221	72.9
322.87994	83.1
377.20572	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14029	1.1
59.01379	18.3
83.34142	1.4
95.26711	1.5
96.41524	1.2
158.73018	1.4
160.56902	1.3
171.10255	16.0
183.10240	23.8
195.13919	25.0
254.40062	1.7
277.21741	57.3
278.11307	2.4
295.22809	100.0
317.20984	47.6
361.20093	1.9
377.23111	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	377.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01151	1.4
59.01388	19.3
98.41380	2.0
171.10248	29.6
183.10236	2.5
210.10336	2.1
257.15155	2.0
277.21774	37.8
280.93848	2.1
295.22812	100.0
317.21036	22.4
359.15353	10.9
377.23126	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	377.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31492	2.2
59.01387	28.7
120.69144	2.6
137.39151	2.8
182.06035	2.7
183.13876	4.4
195.13936	26.3
212.19145	2.3
277.21762	29.9
295.22800	100.0
317.21072	14.9
377.23145	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	377.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17222	0.6
51.21091	0.7
51.63797	0.5
59.01368	2.4
63.96207	0.7
66.15178	0.5
70.14344	0.6
83.05012	0.9
95.05035	1.0
95.52103	0.6
97.06573	1.1
116.89210	0.7
125.09677	1.3
169.08714	0.7
171.10252	8.6
183.10381	0.9
193.12323	1.4
195.13930	1.2
197.11911	2.9
205.12344	0.7
209.14911	0.7
217.15968	0.9
251.16609	1.2
251.20102	0.7
253.18091	1.1
279.19626	3.5
287.23782	1.0
297.22302	3.3
305.25061	3.0
311.04767	0.7
313.21817	3.9
315.23270	5.5
323.20212	1.2
331.22842	3.5
333.24338	3.2
341.21179	4.9
359.22211	3.7
377.23358	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	377.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92898	1.5
59.01384	13.1
61.01805	4.2
61.98832	100.0
81.02396	1.7
92.22448	2.0
94.65359	1.7
96.96019	2.4
97.12837	1.6
111.80936	1.6
144.50601	1.8
153.58382	2.0
183.75999	1.8
223.92363	2.1
248.74492	2.0
364.29434	2.0
377.19876	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	377.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27544	1.1
56.37479	1.2
59.01379	17.4
60.01698	1.7
60.18683	1.3
61.01813	7.8
61.98829	100.0
61.99151	3.3
68.40397	1.4
79.81151	1.5
96.96020	2.5
102.27712	1.5
110.83913	1.4
140.19893	1.8
192.36394	1.6
204.59674	1.9
214.04985	1.7
240.36908	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	377.266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41931	2.2
54.72299	2.2
59.01379	13.8
60.01718	5.1
61.97459	2.4
61.98828	100.0
64.98831	2.3
74.84030	2.5
77.68363	3.0
96.95993	12.8
130.95993	2.6
151.80923	2.9
249.22084	2.9
345.34592	3.3
377.20218	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	377.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	17.3
61.01802	3.8
61.98832	100.0
83.77288	2.0
96.96019	3.6
113.95119	1.9
133.90941	2.2
153.81108	2.2
155.88577	2.2
177.31364	2.1
186.47362	2.3
234.41995	2.1
296.27039	2.0
377.19876	4.8
379.92493	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	378.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78954	1.6
61.98518	3.9
61.98830	100.0
67.77001	1.7
74.76279	1.9
78.83170	1.9
126.90475	2.0
147.98428	2.0
155.38786	1.9
287.81799	2.2
378.18924	18.4
378.23431	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	379.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83910	0.8
59.01381	1.6
79.95732	3.5
87.04617	0.9
92.22517	1.1
92.23005	1.9
95.72361	1.1
106.04240	0.9
107.05022	2.0
125.09756	2.2
135.08170	23.4
139.11250	0.9
161.05980	1.7
166.87694	0.9
171.10243	3.5
183.10316	1.2
185.11853	6.2
197.11844	3.7
209.11844	6.3
211.13411	2.2
237.15141	1.3
241.05060	1.3
243.17876	1.0
249.15175	2.2
269.04590	80.8
269.15503	2.1
284.06943	100.0
287.16611	10.2
299.09283	62.6
299.12692	2.0
305.17639	22.4
341.19629	6.2
343.21277	30.4
376.18179	0.9
379.04971	97.8
379.21350	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	379.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92297	0.3
57.03377	14.9
57.03688	2.2
59.01304	22.5
59.01635	3.0
61.57944	0.4
71.01296	2.4
73.02890	1.3
75.15257	0.3
82.02897	6.3
82.91006	0.4
83.01303	2.4
85.02888	0.8
89.02399	0.6
94.02905	0.4
94.30244	0.3
95.01349	0.4
95.95440	0.4
99.00868	0.4
99.04514	15.4
99.81403	0.4
101.02437	6.8
113.02357	1.6
113.65679	0.3
125.02436	5.7
136.04048	9.1
152.03552	5.3
155.10695	1.5
159.85355	0.4
161.04439	1.8
168.06604	0.6
174.05510	1.7
176.07088	1.4
180.02931	1.8
200.07126	1.8
201.06697	8.0
202.05048	2.6
212.05580	3.7
214.05092	1.8
214.08640	0.6
215.08267	1.5
217.09917	0.3
217.10817	0.4
226.07329	0.6
229.06117	3.7
235.11951	5.6
239.08258	0.5
241.05940	0.5
241.09715	1.7
242.08438	7.3
243.07756	11.5
247.07219	4.1
247.15364	0.4
255.04018	0.5
256.04794	0.4
257.05698	4.2
257.09314	4.8
263.78278	0.4
267.07803	2.8
268.06116	0.4
269.05609	3.2
270.06479	25.3
274.10907	0.4
277.12918	1.7
285.08832	100.0
287.06757	10.0
289.08401	0.6
301.08279	0.7
302.09073	0.7
307.09549	0.6
317.11429	28.5
329.07895	1.5
335.12616	1.5
361.10425	4.4
361.18890	0.6
379.11609	31.5
379.16168	6.5
379.20410	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	379.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92297	0.3
57.03377	14.9
57.03688	2.2
59.01304	22.5
59.01635	3.0
61.57944	0.4
71.01296	2.4
73.02890	1.3
75.15257	0.3
82.02897	6.3
82.91006	0.4
83.01303	2.4
85.02888	0.8
89.02399	0.6
94.02905	0.4
94.30244	0.3
95.01349	0.4
95.95440	0.4
99.00868	0.4
99.04514	15.4
99.81403	0.4
101.02437	6.8
113.02357	1.6
113.65679	0.3
125.02436	5.7
136.04048	9.1
152.03552	5.3
155.10695	1.5
159.85355	0.4
161.04439	1.8
168.06604	0.6
174.05510	1.7
176.07088	1.4
180.02931	1.8
200.07126	1.8
201.06697	8.0
202.05048	2.6
212.05580	3.7
214.05092	1.8
214.08640	0.6
215.08267	1.5
217.09917	0.3
217.10817	0.4
226.07329	0.6
229.06117	3.7
235.11951	5.6
239.08258	0.5
241.05940	0.5
241.09715	1.7
242.08438	7.3
243.07756	11.5
247.07219	4.1
247.15364	0.4
255.04018	0.5
256.04794	0.4
257.05698	4.2
257.09314	4.8
263.78278	0.4
267.07803	2.8
268.06116	0.4
269.05609	3.2
270.06479	25.3
274.10907	0.4
277.12918	1.7
285.08832	100.0
287.06757	10.0
289.08401	0.6
301.08279	0.7
302.09073	0.7
307.09549	0.6
317.11429	28.5
329.07895	1.5
335.12616	1.5
361.10425	4.4
361.18890	0.6
379.11609	31.5
379.16168	6.5
379.20410	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	379.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16086	0.7
52.98073	0.8
54.48186	0.6
58.74401	0.6
59.10268	0.7
70.73670	0.7
84.75307	0.9
84.93873	4.9
87.96967	0.8
99.92059	1.8
99.92574	66.6
100.93359	11.5
115.92076	22.6
116.92847	100.0
146.11082	0.8
204.22157	0.8
248.19188	0.8
270.50308	0.8
277.25027	0.9
335.16653	1.0
349.77371	1.0
358.80322	1.1
379.15854	91.2
379.28674	5.0
393.13843	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	379.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	100.0
57.97756	1.8
59.01106	3.1
59.01384	76.0
67.11111	2.1
69.27891	2.1
71.01368	4.5
73.02938	2.8
86.87045	2.0
89.78351	2.3
99.04513	92.8
101.02427	42.5
113.02458	4.5
125.02431	42.1
140.01913	2.1
143.03506	3.7
144.67578	2.2
161.04478	3.7
172.43555	2.4
235.11853	25.0
277.12921	12.1
379.16064	33.7
396.60385	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	379.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51541	0.6
59.01380	58.8
64.42796	0.8
68.68492	0.7
71.01378	40.9
73.02934	11.7
85.02934	6.2
85.14210	0.8
89.02437	73.7
95.01362	1.8
99.00883	14.8
99.39543	0.9
101.02435	27.5
113.02447	17.2
115.03981	1.0
117.71975	1.0
119.03489	12.3
125.02401	0.8
131.03481	6.8
143.03500	1.4
148.43597	0.8
149.03438	1.5
149.04549	23.1
155.10764	5.2
161.04539	3.3
179.05589	4.7
191.05705	7.3
191.66240	0.8
199.09721	6.4
221.06709	1.2
247.11751	4.1
251.07710	3.1
285.33331	0.8
379.16107	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	379.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.0
56.42220	0.5
58.00602	0.7
59.01378	54.9
61.98832	5.5
63.72760	0.5
71.01375	33.7
73.02938	13.6
83.01366	1.0
85.02959	7.2
87.00863	0.7
89.02434	53.8
95.01366	2.8
99.00869	62.8
99.55584	0.6
101.02425	20.1
113.02439	30.0
119.03487	13.6
120.81975	0.6
130.08728	0.8
131.03519	7.1
143.03517	1.3
149.04552	14.8
161.04538	7.8
179.05650	4.2
191.05609	16.6
233.06673	5.0
247.11864	2.6
262.94525	0.6
267.88873	0.7
293.09055	0.7
316.18808	1.3
343.19736	0.8
379.08179	3.3
379.16113	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06330	1.0
52.47342	0.9
52.77387	1.1
55.01885	1.2
57.03454	25.6
59.01109	2.0
59.01384	41.8
61.62659	1.0
71.01009	2.2
71.01375	38.1
72.99316	1.4
73.02940	16.9
73.03310	1.4
83.01385	4.9
85.02948	20.0
88.63264	1.2
89.02435	13.7
95.01357	1.4
97.02894	1.6
99.00875	12.5
99.04518	21.6
101.02446	38.9
113.02442	21.7
125.02441	9.5
143.03503	2.2
155.03331	1.5
159.02956	1.8
161.04544	14.7
182.93758	1.4
191.05586	1.9
221.46240	1.2
235.11842	6.8
247.11856	15.3
277.12878	2.0
302.85123	1.3
306.11819	1.5
341.10953	4.6
379.08920	12.6
379.16101	100.0
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
53.45099	1.3
57.03451	100.0
59.01105	3.2
59.01384	70.0
63.20192	1.3
71.01363	14.9
73.02932	3.5
74.42766	1.5
83.01370	3.0
85.02941	11.2
89.02396	2.6
99.00875	2.8
99.04511	83.6
101.02439	47.3
113.02446	13.0
125.02435	21.7
131.07220	1.5
143.03487	6.6
161.04549	12.4
222.98235	1.4
223.30035	1.8
235.11885	40.0
247.50244	1.5
277.12848	6.7
316.01947	1.9
317.16025	8.1
379.11453	2.2
379.16119	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	379.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	100.0
59.01383	72.8
69.03436	2.6
70.13480	1.8
71.01366	14.8
71.25874	1.8
73.02941	13.0
83.01363	2.5
85.02935	11.3
88.98802	24.9
89.02428	2.7
99.00875	4.8
99.03899	3.3
99.04517	71.5
101.02444	45.3
102.68919	2.1
113.02440	15.6
125.02451	21.0
143.03493	2.6
161.04549	9.7
167.01556	2.1
178.38156	2.0
181.78038	1.7
185.00900	2.6
194.21997	2.4
203.08307	2.3
235.11900	34.5
245.09354	9.7
277.12918	9.6
282.47171	2.0
317.16171	4.3
379.15735	34.4
379.19870	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	379.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47784	0.5
54.81411	0.5
59.01383	100.0
71.83365	0.6
73.02717	0.5
77.24636	0.5
112.90849	0.6
121.91284	0.6
289.97211	0.8
343.20926	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98052	1.0
59.01376	2.4
62.68520	0.9
64.52370	1.0
66.03486	9.8
72.03854	1.0
73.41814	1.0
79.91283	1.2
91.03024	1.4
99.00860	6.3
123.08179	1.3
141.09250	1.3
159.22543	1.2
168.10344	8.4
171.10201	4.6
174.12869	10.3
176.14421	9.4
178.15862	1.2
184.11290	1.8
191.15578	4.9
202.12354	2.7
204.14059	2.0
220.13422	29.2
222.15010	11.5
227.50143	1.4
235.14513	6.3
260.14130	2.4
260.16586	12.5
263.17715	2.4
275.17621	2.7
278.17664	12.1
287.16476	1.3
290.14413	1.6
293.18936	10.0
304.15527	1.4
318.18369	1.9
322.16693	2.4
335.20932	8.2
337.17633	7.0
341.10770	1.8
343.21289	11.1
379.15042	3.5
379.19907	100.0
398.10269	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.6
71.01385	1.2
71.05009	9.0
83.05010	1.8
91.04030	1.3
95.05007	1.1
109.06590	1.5
121.06516	1.5
130.61371	1.1
131.92943	1.3
135.08182	9.3
139.76852	1.2
152.14999	1.1
161.09706	1.2
162.06871	18.1
164.08459	2.2
177.12860	1.9
181.25627	1.2
185.11859	1.8
189.12845	10.3
197.11954	2.1
199.13326	1.3
201.11212	1.4
209.11858	1.6
211.13428	1.7
221.11861	11.7
231.13869	7.4
233.14484	1.3
249.14952	46.7
249.17538	1.5
269.15475	6.1
287.16541	34.9
305.17615	57.1
343.21204	16.2
379.21307	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.2
59.01385	1.5
64.53557	0.8
67.68516	0.9
74.02423	1.1
90.86112	1.0
106.04224	7.7
107.05042	3.6
109.06609	2.4
123.08167	1.5
125.09718	11.6
129.04118	1.1
131.22957	1.2
132.98068	1.1
133.06567	1.8
135.08163	90.0
153.95667	1.1
161.06068	13.1
177.09308	1.2
183.10233	17.2
185.11824	27.4
195.10338	1.8
197.11807	13.6
209.11897	1.2
225.11378	4.4
232.14613	1.5
243.17606	4.2
258.12717	2.0
269.15552	6.6
276.13699	1.9
278.17624	1.1
285.55881	1.3
287.16519	38.8
305.17630	82.6
341.19846	2.2
343.21286	5.1
379.21384	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91365	73.5
59.01395	79.5
68.37457	71.0
83.60130	79.3
193.27263	86.9
193.87306	100.0
247.49606	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	379.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73715	2.7
59.59664	2.4
60.42652	2.0
61.44137	1.9
63.96275	1.9
68.50879	2.3
96.96014	22.0
111.17229	2.2
175.44594	2.6
219.05276	3.3
269.92813	3.2
299.25708	2.7
320.23953	2.7
340.89703	2.7
361.13342	100.0
379.14560	3.7
379.21564	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	379.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
70.09371	0.6
71.01392	2.1
72.99249	0.6
73.02915	1.0
83.01353	0.7
85.02938	1.5
92.22454	0.7
95.77174	0.7
101.02426	1.4
108.17256	0.8
113.02437	0.9
113.97570	0.6
116.73772	0.6
116.74587	0.7
130.30765	0.8
161.04562	0.8
190.77606	0.7
273.71353	0.6
319.21310	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	379.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77535	0.5
59.01380	12.0
62.30148	0.6
72.39359	0.6
83.10635	0.8
141.12892	0.9
144.08633	0.7
155.10764	28.5
194.57051	0.7
195.10056	1.5
223.04703	1.3
243.86263	0.8
279.23315	25.1
295.22897	1.4
297.24347	100.0
317.21033	8.4
319.22617	11.0
363.21646	1.6
375.12158	0.8
379.24664	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	379.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23249	1.1
59.01375	7.2
59.07797	1.1
109.66994	1.2
232.67404	1.3
289.29044	4.7
317.28522	48.6
335.29575	35.6
379.28552	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	379.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12284	0.6
53.21700	0.6
57.10405	0.7
59.01371	0.9
66.42229	0.8
81.07095	0.9
95.51687	0.8
98.08412	0.7
99.92583	1.5
116.92867	3.3
123.84079	0.7
126.27892	0.8
248.86635	1.0
289.29086	3.0
317.28494	24.0
335.25797	1.0
335.29498	21.3
347.25870	3.7
379.15829	6.4
379.28561	100.0
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
61.20437	1.2
85.06578	1.4
87.65342	1.4
99.20063	1.2
125.09708	6.3
158.10234	1.6
225.18596	3.3
253.18102	14.3
267.19708	2.3
321.64719	1.7
379.28552	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	379.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
61.77485	0.8
63.35246	0.7
92.23173	1.5
114.99915	0.7
118.92815	0.7
125.09739	1.2
137.09711	1.5
149.50586	0.8
164.79376	0.9
171.10274	33.5
172.89771	0.8
201.11337	6.7
211.13382	0.9
220.12123	0.8
220.41034	1.0
251.20186	3.1
253.21783	1.4
263.20078	1.1
281.21265	7.7
291.20007	1.1
309.20633	1.5
343.26593	1.9
361.27533	4.0
377.26965	1.2
379.28589	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	380.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78079	0.4
51.18253	0.3
53.57475	0.3
60.84114	0.4
62.72697	0.5
70.73380	0.4
71.44387	0.5
78.95904	27.4
96.96001	43.5
96.96955	100.0
97.07781	0.4
150.04224	13.1
162.45042	0.5
204.47023	0.5
282.08429	9.0
307.33505	0.5
372.52472	0.6
380.05515	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	380.1565
Annotation	O-beta-D-Glucopyranosyl-cis-zeatin
Peak:m/z	Relative Intensity
56.00597	0.5
59.01135	0.8
59.01380	10.2
62.15753	0.5
71.01377	29.0
71.04979	2.2
74.02467	1.5
85.02936	0.8
88.04053	4.8
89.02435	8.4
95.87263	0.6
98.31295	0.6
99.00885	0.8
101.02434	8.2
101.03953	0.6
108.43053	0.6
113.02420	4.8
116.03544	0.7
116.07113	0.9
119.03495	3.3
125.50130	0.6
128.07152	1.1
146.08231	71.0
154.06194	1.2
161.04565	1.3
186.12399	0.7
200.09081	0.8
210.00415	0.7
233.65764	0.7
256.08383	0.7
308.13431	3.9
380.15598	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16107	1.2
56.25043	1.1
61.02869	1.1
65.85353	1.2
77.81256	1.3
96.02028	15.2
113.09712	1.9
124.55128	1.3
125.09721	10.2
151.07611	1.7
151.11278	3.1
168.10306	13.4
169.12376	1.4
179.10770	1.4
179.14386	3.2
185.11824	2.2
193.09805	5.8
196.13339	2.2
210.12555	10.2
223.10939	5.0
233.19070	6.7
259.16858	2.4
277.18118	59.8
283.19119	1.6
295.19135	25.5
307.20087	1.5
321.17072	2.2
362.21249	1.7
380.21930	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
64.29823	1.5
70.86444	1.3
86.91563	1.4
88.35645	1.4
106.12009	1.5
131.21848	1.6
182.93352	1.8
267.70795	1.7
268.86520	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	381.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	8.4
59.01382	16.8
60.30845	1.2
61.98834	1.7
71.01386	6.2
72.00890	1.4
73.02937	6.4
80.40039	1.2
85.02946	2.0
85.42701	1.4
87.00879	1.3
88.63662	1.2
89.02440	2.0
91.53390	1.2
99.00884	1.8
99.04523	7.2
101.02442	8.8
105.47128	1.5
113.02450	5.5
125.02409	1.6
130.08733	2.6
131.09102	1.7
131.47110	1.4
132.04558	10.9
134.04689	2.3
135.04529	3.1
144.04588	10.1
156.06906	2.7
157.07744	10.1
158.06134	1.4
159.05600	2.2
160.04033	10.2
161.04562	3.1
167.06146	13.0
169.07729	6.5
170.06158	2.1
171.09262	15.1
173.07211	15.5
181.07713	94.7
182.06194	2.4
183.11249	1.3
187.08736	3.1
188.05936	5.7
197.07228	7.3
199.08784	79.1
201.06764	3.2
217.09769	5.3
219.07848	1.4
223.08702	1.4
226.05185	6.9
237.09808	2.5
243.07764	41.8
261.08810	99.7
273.08948	1.8
321.11661	1.9
363.12137	5.9
381.13187	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73374	0.7
59.01381	100.0
61.16421	0.9
101.05972	1.0
173.04428	1.0
175.76421	1.2
259.34952	1.2
291.06619	4.7
321.11435	9.6
381.17120	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	381.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89028	1.3
58.81832	1.3
59.01382	100.0
59.82223	1.3
64.17831	1.5
68.33817	1.5
79.95724	2.4
91.00670	1.5
96.23692	1.3
118.12569	1.5
135.04488	3.0
167.82901	1.4
189.27902	1.5
196.40111	1.7
202.41640	1.8
286.08365	1.9
311.42572	1.5
321.11234	7.7
332.18646	1.7
381.06467	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	381.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29391	0.5
72.07214	0.5
84.93872	7.4
88.46130	0.5
96.48340	0.6
99.92581	56.9
100.93346	12.9
104.00735	0.6
115.92063	24.8
116.92850	93.4
124.17641	0.6
148.12808	0.6
153.65172	0.6
197.41678	0.7
233.45755	0.6
251.23845	0.7
273.81573	0.6
281.25137	0.7
337.18472	1.1
351.16394	0.7
357.71103	0.7
373.82864	0.7
381.17419	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76727	0.7
57.03452	1.0
59.01103	1.2
59.01378	21.3
71.01375	31.8
73.02551	1.2
73.02940	24.0
75.00848	1.0
76.99354	0.8
80.55605	0.9
83.01385	6.9
85.02943	18.2
87.00858	1.2
89.02451	7.0
90.81589	0.9
95.01379	1.2
97.02956	1.1
99.00859	8.0
101.02437	45.3
113.02438	19.9
125.02360	1.6
129.01891	1.1
140.73099	0.9
143.03439	1.4
159.02957	4.9
161.04546	12.6
176.62402	1.1
249.13435	38.3
336.74048	1.0
341.07104	1.0
381.17679	100.0
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
51.13934	0.4
59.01382	100.0
59.99772	0.5
61.02291	0.4
71.01378	2.1
73.03007	0.5
80.95162	0.5
85.02953	1.0
89.02435	0.5
101.02425	3.7
113.02450	1.0
114.02912	0.5
120.46282	0.4
161.04596	0.8
176.22816	0.5
180.88727	0.5
205.11237	0.5
210.33904	0.5
247.65479	0.4
249.65771	0.5
250.10002	0.5
321.19193	6.3
334.74161	0.5
345.15671	2.3
381.17944	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	381.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76378	0.4
58.00590	0.5
59.01382	3.1
62.79796	0.5
72.99292	0.5
75.61799	0.4
82.73670	0.5
101.02435	0.5
113.06071	0.9
114.05608	2.3
131.05200	0.5
132.49684	0.6
137.09721	2.1
159.35083	0.7
176.01195	0.9
177.01920	9.2
217.03673	0.6
245.19139	3.3
257.19141	0.7
263.20026	0.6
273.18652	1.0
275.20273	1.1
319.19101	0.6
330.69189	0.6
337.20236	54.4
381.08530	3.2
381.19232	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50927	3.5
55.33306	3.5
58.02984	3.6
59.01373	5.4
59.98513	6.1
63.57074	3.5
67.48811	4.2
71.04993	5.8
74.02468	96.5
79.50623	4.0
80.17919	4.0
83.05030	6.1
84.02177	3.9
96.96019	6.2
97.06558	7.4
99.00864	4.5
121.06593	7.3
125.09718	8.6
130.78458	5.0
171.68192	4.0
174.44093	3.9
185.11867	26.6
190.12373	51.4
192.13937	82.0
209.11818	38.9
211.13451	6.8
230.15549	31.2
235.13446	15.7
243.96387	3.9
248.16588	36.2
257.97073	4.1
274.14435	8.8
289.18109	7.6
291.20029	4.3
306.17105	63.9
307.19174	29.0
309.20947	5.1
321.08185	4.7
324.18173	59.0
345.22791	19.0
358.58716	4.8
381.20139	100.0
393.61728	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	381.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08440	1.1
52.22964	1.0
53.60262	1.0
58.02960	7.6
59.01386	1.5
62.67984	1.0
73.37414	1.1
83.05016	4.6
92.23109	2.8
105.65910	1.2
118.05080	1.4
125.09695	5.9
129.09180	1.8
142.05089	2.2
160.06293	1.2
163.11269	5.9
165.12827	2.5
170.80130	1.3
185.11795	7.9
193.12331	7.0
197.11819	7.4
209.11852	69.3
235.13443	1.3
238.14516	1.7
266.24747	2.6
277.25412	1.5
278.24985	2.1
289.18121	5.2
307.19196	6.3
309.20749	1.2
315.64182	1.3
319.27469	14.2
320.25778	9.5
327.21811	4.7
345.22830	31.6
363.22122	1.3
364.24988	2.5
367.86649	1.3
381.19366	9.2
381.23157	6.1
381.27570	100.0
384.57391	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	381.232
Annotation	Lys Pro His
Peak:m/z	Relative Intensity
53.19967	0.2
54.77435	0.3
55.44524	0.3
59.01384	0.6
63.28447	0.3
75.39304	0.3
79.95729	2.7
93.75406	0.3
96.96001	32.7
113.35526	0.4
122.97586	2.7
137.38754	0.3
154.19023	0.3
172.54031	0.4
176.60382	0.3
217.00272	0.4
381.23190	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2319
Annotation	Lys Pro His
Peak:m/z	Relative Intensity
59.01384	5.5
69.81276	0.7
70.65829	0.7
79.95744	1.1
85.63219	0.7
88.42443	0.8
94.13503	0.9
96.95998	36.3
96.96602	1.6
122.97562	1.8
192.42807	0.8
219.78806	0.9
239.37962	0.7
258.53662	0.8
381.23172	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.5
59.06637	0.4
60.30139	0.5
83.66519	0.6
138.20381	0.5
153.12843	4.1
163.11276	2.1
165.12830	7.7
170.05904	0.8
179.10744	8.0
181.12346	39.2
195.10286	2.5
197.11859	1.3
199.13408	100.0
204.70395	0.6
215.12823	1.0
216.29433	0.6
330.34048	0.6
363.25470	5.2
381.26529	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	381.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42231	1.2
54.06713	1.0
90.22294	1.1
103.18989	1.3
235.16910	1.3
251.20155	6.0
277.18112	96.0
279.19641	28.0
295.19159	100.0
363.25403	18.4
363.29330	1.8
381.26291	18.1
381.30206	25.4
398.70526	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	381.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02968	5.2
59.01358	0.8
60.15042	0.7
70.02972	1.1
76.10683	0.7
79.26566	0.8
87.00862	0.8
87.56326	0.8
97.06551	1.0
104.93065	0.8
111.08051	0.9
121.06524	1.0
141.09111	1.3
171.10278	4.3
185.11761	8.4
197.11806	1.0
235.13496	1.3
266.24844	3.5
277.25760	1.4
278.24933	2.0
287.44342	0.9
288.29037	0.9
289.17941	1.8
307.19089	7.6
319.27634	14.9
320.26041	11.0
345.22845	53.7
364.24884	6.2
381.23312	5.7
381.27612	100.0
385.92386	0.8
400.94742	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03913	0.4
72.45064	0.5
96.96010	4.1
99.08126	1.2
108.90282	0.5
117.46152	0.6
126.27560	0.6
129.09213	3.0
149.50836	0.6
172.40312	0.5
190.46423	0.6
195.14047	0.7
211.13422	9.9
222.34023	0.5
223.17177	0.6
225.18594	4.1
233.86140	0.6
237.18523	0.6
251.20160	9.4
263.20175	5.7
263.58960	0.6
271.43011	0.5
281.21225	26.4
312.45065	0.6
341.39688	0.6
345.28024	1.3
363.29050	3.7
379.28775	0.7
381.23193	8.1
381.30145	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78147	0.9
62.44384	0.9
62.53672	0.8
64.53622	0.9
86.50368	1.0
129.09151	1.9
171.10249	11.3
177.82469	1.1
183.17537	1.8
201.11380	1.5
204.14035	1.1
209.19119	5.8
211.11525	1.4
211.13268	9.9
225.18536	1.4
251.20143	8.2
263.20270	1.2
281.21274	22.0
363.29147	10.0
381.30136	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15484	0.6
72.63983	0.6
99.08141	1.7
108.45201	0.7
108.54508	0.8
129.09258	2.5
156.51233	0.7
171.10365	1.2
187.17093	0.7
211.13419	9.7
251.20221	8.9
263.20151	6.1
281.21237	24.6
345.28442	2.4
359.54889	0.7
363.29211	3.7
381.25595	3.8
381.30142	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	382.1009
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
59.91779	1.7
66.83500	1.7
68.26103	1.5
71.01369	8.3
115.00356	13.2
117.04702	1.6
134.04727	100.0
134.05748	3.5
137.58482	1.7
162.07854	9.2
206.06842	32.4
207.12465	2.1
210.89331	1.7
250.05861	2.4
260.53275	1.8
264.25140	1.7
266.08960	11.6
309.71054	2.0
318.08023	2.2
382.10028	61.6
382.14539	2.5
398.44022	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	382.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01578	0.9
58.99544	0.9
59.01381	7.9
59.72613	0.9
61.98831	5.9
63.24607	1.0
70.81849	1.1
71.01360	2.1
74.02468	65.5
84.04529	1.4
85.02922	1.0
89.02420	1.6
98.02455	6.9
99.00848	4.9
116.03525	100.0
119.05004	24.8
126.05604	2.7
129.62827	1.1
133.06583	4.3
140.03540	13.2
145.02953	35.1
161.06071	31.4
161.07278	2.9
163.04005	37.7
187.04121	1.6
204.07745	1.7
205.05066	19.1
218.06648	2.6
236.07800	12.8
238.00888	1.1
265.07184	39.0
278.10388	1.6
339.13861	7.3
346.09512	1.4
382.11459	82.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49496	0.9
59.01375	7.9
60.01694	1.1
62.90414	1.0
70.02966	5.3
71.01371	2.0
72.04537	2.6
72.13663	1.2
72.80898	1.3
74.02470	85.5
83.63159	1.0
84.04544	1.2
98.02463	11.9
98.06106	1.3
99.00867	8.8
105.47017	1.1
116.03529	100.0
119.05016	36.8
124.27237	1.3
133.06567	6.8
140.03561	15.2
145.02946	35.0
161.06065	35.0
163.04018	39.9
205.05074	25.1
218.06729	5.7
236.07643	10.7
265.07196	51.5
278.10410	1.9
366.09219	1.3
382.11414	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	382.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58044	0.7
59.01382	3.2
70.02979	1.2
71.01392	1.9
74.02473	1.3
77.85004	0.7
89.02396	1.0
99.00902	6.9
99.01495	1.1
101.02403	1.1
112.04062	1.1
116.03505	2.0
119.05020	61.0
126.05598	3.2
130.41454	0.9
140.03529	16.5
150.95551	0.8
161.70367	0.8
163.04008	100.0
166.40118	0.9
175.15335	0.8
187.04050	3.5
187.07085	0.7
198.18538	0.8
221.59650	0.9
235.31673	1.0
284.26645	0.8
309.08948	1.1
382.11545	7.4
382.19183	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	382.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10538	0.6
58.00596	1.1
59.01383	39.3
69.98775	0.7
71.01379	24.7
85.02941	3.0
86.02477	3.2
87.00897	0.9
89.02441	40.7
101.02437	20.0
113.02454	14.1
116.03459	1.0
119.03485	16.7
119.05037	0.7
125.20131	0.9
126.70448	0.9
131.03436	1.2
134.66061	0.7
136.56561	0.9
140.42854	0.8
172.47159	0.8
178.05203	0.7
179.05652	1.2
189.06155	0.8
202.63528	0.9
216.21317	0.8
295.12231	6.4
342.49261	0.9
372.89807	0.8
382.15463	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23209	0.6
53.74967	0.7
57.21540	0.7
59.01384	46.8
65.38901	0.7
71.01380	26.7
72.73817	0.8
85.02959	3.4
86.02481	3.6
89.02440	45.8
99.00859	1.3
101.02447	22.5
113.02437	16.7
115.99171	0.8
119.03493	21.1
119.05008	18.5
136.07321	0.8
140.03569	6.7
143.03529	0.9
161.04544	1.0
163.04022	33.1
179.05692	1.0
236.07762	1.0
256.93677	1.0
295.12219	6.9
382.15436	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.18
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.0
56.99826	0.6
57.03440	0.9
59.01379	14.2
60.01704	2.1
71.01376	20.4
72.01709	5.3
73.02941	13.7
74.03283	3.2
83.01393	4.4
84.01710	1.2
85.02941	13.2
85.03431	1.0
85.06670	0.6
86.03268	3.5
87.00854	1.0
89.02444	4.7
97.02905	0.6
97.75481	0.5
99.00865	4.3
100.01208	1.4
101.02431	30.8
102.02776	8.5
113.02433	9.6
114.02763	4.7
125.02427	0.7
126.02760	0.8
132.03792	0.5
133.30255	0.6
136.30130	0.7
159.02870	0.6
160.03296	0.8
161.04559	6.0
162.04915	3.3
176.37082	0.6
200.65826	0.6
216.54968	0.6
249.13466	12.2
250.13754	20.2
323.06738	0.6
335.70081	0.5
382.18008	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.9
57.03448	4.3
58.03793	0.9
59.01383	18.5
60.01711	2.6
71.01379	19.8
72.01711	4.3
73.02941	15.7
74.03292	2.8
75.00845	0.9
83.01383	5.5
84.01724	0.9
85.02939	13.0
86.03293	3.2
87.00869	1.2
89.02433	5.0
89.74117	0.5
90.02755	1.0
95.01356	0.7
96.58138	0.5
99.00883	3.8
99.04510	3.6
100.01218	1.1
101.02438	34.0
102.02772	12.3
111.00893	0.8
113.02434	13.4
114.02785	4.7
116.62167	0.6
125.02404	0.8
126.02791	0.7
129.11778	0.5
130.97075	0.6
143.03453	1.2
159.02995	2.3
160.03333	0.8
161.04533	6.0
162.04868	1.4
214.60278	0.6
221.34312	0.6
236.12259	0.8
238.12616	0.9
249.13463	10.4
250.13786	25.7
271.41785	0.6
302.25330	0.6
319.45200	0.6
382.18033	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93044	0.7
65.99644	0.6
84.76431	0.8
104.47455	0.9
153.20842	0.8
162.10490	2.9
163.11287	100.0
167.09096	0.8
170.26160	0.7
194.09480	0.9
206.15517	68.0
240.52641	0.9
266.65222	0.9
337.21631	1.4
340.44946	0.9
360.35596	0.8
382.27557	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	382.2967
Annotation	N-oleoyl threonine
Peak:m/z	Relative Intensity
55.55959	0.6
59.01382	100.0
92.22468	0.8
128.28998	1.0
204.58180	0.7
225.13339	0.8
236.15540	0.9
262.31577	0.9
279.35947	0.8
282.27252	0.8
322.27777	1.0
382.30557	1.4
387.89578	0.9
397.28223	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	382.2964
Annotation	N-oleoyl threonine
Peak:m/z	Relative Intensity
51.47757	1.0
59.01383	100.0
68.26810	1.1
81.62747	1.3
92.61554	1.2
108.70522	1.2
121.80839	1.2
137.23987	1.2
184.91867	1.2
186.43657	1.4
210.69124	1.3
294.42722	1.5
323.60654	1.5
407.36105	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	383.135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33070	0.5
54.75480	0.5
59.01382	5.9
65.38944	0.6
71.01377	3.7
71.52695	0.6
72.39628	0.6
73.02952	0.6
73.70813	0.7
77.23679	0.5
81.68015	0.7
83.01391	1.2
84.55100	0.6
85.02949	1.2
99.04530	0.9
101.02418	4.5
113.02451	1.1
132.02126	1.0
133.02878	5.5
134.03754	7.7
137.02434	0.8
149.06059	1.2
160.01646	47.5
161.04649	0.7
175.03999	100.0
177.01903	1.3
179.03468	0.9
193.05054	5.7
211.61237	0.6
221.04480	1.1
233.34976	0.7
239.50667	0.8
242.71083	0.6
268.67682	0.6
325.42111	0.7
368.11319	4.9
383.13495	83.9
390.98328	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01101	1.5
59.01381	31.1
71.01377	21.5
73.00601	0.9
85.02937	2.1
87.00876	2.2
89.02441	33.4
92.22707	0.9
95.01385	1.4
97.10226	0.9
101.02441	20.3
104.69039	0.8
113.02448	12.1
115.05880	0.9
119.03497	17.5
119.04913	1.0
120.10512	0.9
130.80164	1.1
149.04547	1.1
161.04529	1.5
163.03920	1.2
163.79271	0.9
279.87054	1.1
295.12292	2.0
355.64313	0.9
383.13846	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83256	0.7
59.01379	31.9
71.01377	17.5
83.01378	0.6
85.02950	1.3
87.00860	3.0
89.01881	1.3
89.02431	33.8
92.22597	1.3
92.23122	1.0
95.01352	1.2
101.02435	16.3
103.00815	0.7
104.44791	0.6
113.02430	10.8
119.03490	14.1
131.03490	0.8
133.06882	1.2
143.03523	0.8
161.04570	1.2
181.38799	0.7
198.82941	0.6
203.07503	0.7
238.40701	0.8
295.12268	1.3
375.03735	0.6
383.13846	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1898
Annotation	Bortezomib
Peak:m/z	Relative Intensity
53.13900	0.9
59.84539	0.9
65.59823	1.0
84.93855	2.5
91.65623	1.2
99.92582	57.6
100.90455	2.0
100.93346	9.1
101.51917	1.2
102.13101	1.4
110.60857	1.2
115.92062	20.4
116.92847	92.1
118.03941	1.4
121.28127	1.1
134.64616	1.4
138.21260	1.2
253.25392	4.7
286.11130	1.2
317.17621	1.4
342.17874	1.2
353.17661	1.3
383.19022	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01353	1.5
66.03479	2.5
67.03012	5.4
68.02532	7.8
81.04574	10.6
83.78705	1.1
84.04510	1.1
92.32642	1.4
96.05664	5.9
99.03166	1.5
99.05627	5.2
107.24600	1.3
108.04575	2.0
108.05692	3.1
110.06171	1.2
123.08171	1.3
124.23306	1.3
126.06728	16.9
134.05994	6.9
151.11281	12.8
153.12762	1.8
169.07382	1.6
194.11855	41.6
195.10284	2.2
196.13390	12.2
197.11876	23.0
207.10327	2.9
215.12843	1.9
217.17303	1.9
218.11952	2.1
218.15591	6.0
219.11397	7.8
221.12933	7.3
222.11395	5.7
222.14972	14.7
224.12930	14.6
234.14981	9.7
236.12927	9.3
241.15608	2.1
243.14978	1.4
244.13492	9.7
246.12479	6.2
247.14569	1.9
248.13977	5.3
249.12312	1.7
249.16046	7.2
250.14421	2.4
261.16098	2.9
262.14508	18.0
264.13565	6.9
264.17178	3.1
273.17285	2.4
274.15762	2.8
276.17004	2.9
280.15656	10.9
285.17203	12.2
286.15646	1.7
291.18210	21.0
297.17828	1.8
303.18234	22.6
321.19345	100.0
322.17865	1.8
339.20383	60.4
342.99551	1.7
354.17096	1.3
383.19431	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	383.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32870	0.7
58.02986	0.9
59.01381	100.0
71.33438	0.7
78.74187	0.7
81.45511	0.7
86.41982	0.7
136.89084	0.8
153.09155	0.9
160.84201	0.8
170.11917	3.2
170.84200	0.8
198.14990	1.5
203.08412	1.1
209.45308	0.9
221.48770	0.9
271.36069	0.9
277.22824	1.3
305.22485	1.7
323.19363	1.2
323.23419	38.7
343.09872	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66960	0.6
54.70993	0.6
59.01382	10.7
62.91941	0.7
65.85832	0.6
68.45877	0.6
92.22523	0.9
96.46390	0.7
103.66093	0.7
105.53965	0.6
108.57928	0.7
138.93161	0.7
177.09204	95.5
194.08232	87.4
217.59810	0.7
298.99551	0.7
304.73447	0.8
307.11520	0.7
384.18204	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61644	0.6
55.34784	0.8
59.01382	100.0
68.19818	0.8
72.93904	0.9
83.50657	0.8
94.15666	0.8
96.16698	0.9
169.50343	0.8
183.27280	0.9
250.10805	0.8
353.44766	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
59.41362	0.6
95.14873	0.8
384.42300	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96654	1.4
59.01385	100.0
71.22033	1.4
91.37141	1.4
177.40926	1.8
211.44197	1.6
259.32733	1.6
350.03036	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	385.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	6.8
59.01373	3.8
68.99807	0.9
69.03448	4.1
71.01369	6.9
72.98943	0.7
72.99286	5.1
75.80164	0.5
77.36114	0.5
77.62883	0.7
83.01389	3.3
85.02944	32.5
87.00867	6.6
87.04509	1.1
89.02439	1.1
97.02945	8.5
97.87062	0.6
99.00874	10.8
111.00876	4.6
113.02458	1.4
115.03969	4.3
116.80029	0.5
117.03467	5.2
129.01938	23.2
134.03734	69.4
135.04564	0.7
136.97589	0.6
139.03987	1.5
141.01923	4.0
149.06058	10.5
159.03011	4.4
175.03963	2.8
178.02727	3.3
191.05591	9.3
193.05066	66.6
209.06674	55.3
218.81055	0.7
235.84262	0.6
335.07703	0.6
385.11441	100.0
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
52.87183	0.2
57.03344	0.2
58.13647	0.2
70.34448	0.3
77.83895	0.2
79.85222	0.2
81.82320	0.2
86.09318	0.3
103.47293	0.2
105.03427	0.6
105.16161	0.2
110.26175	0.3
122.03695	0.3
137.06052	2.7
138.03255	0.5
139.03996	1.9
151.00331	0.3
165.01958	1.1
165.05548	0.4
166.02701	27.8
166.34009	0.2
179.03450	0.3
181.05069	100.0
198.01634	0.3
223.06100	0.5
263.68958	0.3
309.24423	0.3
385.11444	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1145
Annotation	1-O-Sinapoyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.03445	1.2
67.01897	1.2
71.01357	1.1
75.58943	0.7
85.02949	9.9
86.84949	0.8
87.00879	1.2
89.03943	0.9
99.00879	1.2
117.03458	7.6
126.09151	0.7
129.01932	5.0
134.03741	100.0
137.06053	1.3
147.17458	0.7
149.02428	6.7
149.06073	10.5
152.01215	1.2
164.04787	17.7
179.07138	3.9
181.05101	4.4
190.02721	4.4
191.05615	9.6
193.01353	4.1
193.05070	89.0
205.05096	4.4
208.03786	23.0
209.06688	19.5
223.06126	28.0
385.11472	17.5
390.01031	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1145
Annotation	1-O-Sinapoyl-beta-D-glucose
Peak:m/z	Relative Intensity
54.15685	0.4
59.01385	0.5
71.01360	0.5
75.48598	0.4
78.63241	0.5
85.02951	2.5
89.02481	0.5
111.90704	0.5
121.02944	0.7
149.02441	30.4
149.06059	0.5
152.01170	2.0
152.90758	0.5
163.04057	1.1
164.04803	100.0
169.05115	0.7
169.06770	0.5
179.07144	28.4
193.01384	3.7
208.03787	33.8
223.06134	93.6
265.07196	1.0
371.07272	0.7
385.11646	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	385.1145
Annotation	1-O-Sinapoyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.15582	0.5
51.32093	0.6
51.50722	0.6
57.03455	3.9
59.01383	7.4
61.98839	1.1
68.32713	0.6
71.01381	4.6
72.13951	0.6
72.78228	0.6
83.01418	0.6
85.02946	23.1
87.00870	8.3
88.02507	0.6
89.02441	4.2
99.00900	1.2
101.02448	3.0
111.00854	1.6
113.02441	1.5
117.03445	3.5
126.43119	0.7
129.01927	17.4
134.03745	64.3
139.04051	0.9
141.01985	1.4
149.06070	4.8
153.09186	1.0
159.03008	5.6
161.04634	0.8
165.27350	0.8
186.16577	0.7
191.01923	0.7
191.05637	3.1
193.05055	48.2
205.05133	1.3
209.06685	100.0
209.40170	0.7
217.37129	0.8
223.06110	3.0
241.29054	0.7
265.07242	0.9
304.64975	0.7
337.40277	0.7
385.11639	4.7
385.19656	1.0
394.50012	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.19598	0.3
61.98835	2.0
66.44507	0.4
69.54374	0.4
71.01397	2.2
73.02957	1.7
75.00858	0.6
85.02936	0.5
89.02451	0.6
98.21820	0.4
101.02437	1.9
113.02458	0.6
121.80534	0.4
135.03000	6.5
161.04553	0.9
201.84598	0.5
205.12274	0.5
223.13405	1.8
234.25438	0.4
267.12527	0.7
385.15131	2.5
385.23376	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.187
Annotation	Citroside B
Peak:m/z	Relative Intensity
51.34916	1.1
56.69323	1.1
57.03428	1.5
57.67574	1.0
59.01380	47.8
60.07719	1.0
60.50682	1.0
67.13566	1.1
71.01010	2.4
71.01381	44.0
73.02941	10.7
83.01396	2.2
85.02951	19.7
87.00886	1.3
88.04079	1.3
89.02449	27.4
95.01376	2.1
97.02934	2.6
99.00872	5.2
101.02437	26.2
107.94500	1.3
113.02429	19.7
113.06065	1.3
119.03452	9.1
125.02481	1.6
125.06080	1.9
134.03737	11.0
135.81383	1.5
136.05396	1.6
136.74196	1.3
138.06865	12.8
139.07642	5.9
139.21799	1.2
149.06094	1.9
151.07639	17.6
152.04848	3.1
152.08426	32.5
153.09209	100.0
159.02908	2.0
161.04553	25.2
164.04750	1.2
179.05612	2.6
193.05075	9.1
205.12338	29.6
208.03801	2.0
223.06078	1.9
223.13412	28.6
336.88995	1.4
348.54977	1.6
385.18802	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	385.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69158	0.4
52.17274	0.4
53.09639	0.4
58.92885	0.4
61.98832	100.0
63.29574	0.4
63.70417	0.5
94.07369	0.4
130.08745	6.4
144.84412	0.4
210.59721	0.4
222.01039	0.4
251.73050	0.6
284.52060	0.4
298.42929	0.4
320.78955	0.5
322.20206	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	385.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37117	1.0
58.02980	2.7
59.01374	5.6
74.02472	25.4
74.90353	1.0
94.82103	1.3
98.02457	5.4
99.00874	2.0
111.08151	1.5
118.05100	71.7
125.09651	1.8
130.53165	1.1
135.02960	1.4
165.12866	10.2
171.10240	1.4
175.07210	6.4
182.15489	14.3
186.11340	2.2
199.13315	5.2
208.17064	31.7
222.18654	3.0
234.33897	1.3
236.16568	4.9
240.19649	1.8
266.17612	27.9
284.18863	1.9
293.05713	1.3
310.16547	11.1
328.17599	23.3
351.15662	2.1
385.19800	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	385.2598
Annotation	6-Deoxyerythronolide B
Peak:m/z	Relative Intensity
50.71523	0.6
57.03437	3.5
59.01382	5.6
62.71579	0.8
65.70611	0.8
83.49670	0.8
91.04005	3.6
113.09716	23.9
121.19597	0.9
138.38997	0.7
139.11307	4.4
148.99246	0.9
153.12817	0.9
167.10716	1.3
177.12779	1.2
179.10747	1.2
195.13853	5.3
239.51659	0.9
292.38620	0.9
293.21252	100.0
295.47336	1.0
311.22321	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	385.2598
Annotation	6-Deoxyerythronolide B
Peak:m/z	Relative Intensity
51.20226	0.6
51.99197	0.8
55.12325	0.7
57.03445	3.7
59.01378	6.8
62.64778	1.0
71.01359	1.1
85.01296	0.9
85.02946	1.1
87.04498	13.2
89.02432	2.1
91.04002	16.8
110.37560	1.0
125.35228	0.9
201.11272	2.1
223.17027	59.5
225.29861	1.0
235.17010	7.5
251.77065	0.9
253.17946	1.2
275.20288	5.6
282.90356	0.9
293.21252	11.5
311.22299	100.0
314.59290	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
65.80162	0.4
75.43491	0.5
79.78797	0.6
80.42135	0.5
97.06585	0.9
101.32150	0.6
109.06569	0.6
112.98792	0.8
125.09717	32.5
139.11264	3.0
142.12405	2.1
142.99858	1.4
173.00916	0.8
174.01659	5.3
175.02486	0.7
182.70457	0.7
183.10226	1.1
186.11359	100.0
200.12935	9.3
209.60265	0.8
211.13364	0.8
235.13411	1.0
302.17273	0.7
307.11813	0.7
349.13123	0.6
367.14029	1.2
367.25903	0.6
385.22845	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37793	0.4
59.01378	0.9
59.17931	0.4
74.73584	0.5
78.53838	0.4
79.68065	0.5
85.50171	0.4
87.06728	0.4
91.32908	0.5
111.08150	5.7
153.12843	13.9
170.11879	1.9
170.15462	0.9
172.09796	18.3
178.42874	0.5
196.13391	2.6
197.11853	22.1
214.14502	100.0
215.12895	8.1
272.54929	0.5
367.26056	0.9
385.26648	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	386.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77926	0.6
51.64848	0.6
51.73037	0.7
54.94005	0.7
57.03448	0.9
59.01381	14.3
64.42866	0.8
71.01366	11.4
72.99293	1.9
75.00870	14.7
85.02948	18.7
87.00866	3.9
89.02421	4.0
92.05045	15.7
93.03436	1.1
95.01373	5.7
99.00866	9.5
103.00367	1.8
113.02444	16.3
115.00357	1.4
117.01908	1.6
129.01939	1.1
136.04037	99.6
139.00325	0.8
175.02440	1.4
189.03937	1.3
231.05055	1.9
249.06158	20.7
263.52713	0.9
386.10971	100.0
386.20633	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	386.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.0
61.98832	3.4
72.00900	7.1
96.01067	0.6
136.04054	1.3
147.03336	0.7
147.04521	32.7
164.07173	100.0
164.54478	0.7
198.71692	0.7
200.65442	0.6
211.93813	0.7
238.40538	0.6
246.44034	0.6
253.76805	0.7
354.06552	0.6
386.11069	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	386.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	5.2
61.98834	100.0
64.78206	0.5
77.93703	0.6
78.77621	0.6
83.12479	0.6
97.65005	0.6
109.43168	0.6
364.49997	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51460	0.3
52.61131	0.3
59.01377	3.5
59.72465	0.3
61.98832	100.0
75.78484	0.3
90.20480	0.3
92.23332	0.3
100.11475	0.3
130.57021	0.4
130.74094	0.3
137.92474	0.3
153.54178	0.3
184.91730	0.4
185.11884	0.7
196.45058	0.3
247.59071	0.4
305.17700	0.5
310.01962	0.4
323.18781	2.5
378.21619	0.4
386.17963	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	9.3
58.79238	1.3
59.01379	16.1
61.98821	1.4
71.01374	2.9
72.00881	2.7
75.01974	1.9
85.04050	5.4
86.31705	1.3
99.00871	100.0
115.05112	2.8
116.03508	3.6
118.05083	9.3
133.06192	66.2
159.04080	16.4
165.12831	20.9
176.06744	2.9
182.15471	3.2
185.68909	1.5
200.78105	1.5
208.17093	3.0
220.89505	1.5
226.14455	1.7
227.62943	1.4
284.14841	1.5
295.16580	17.9
305.58377	1.5
325.17755	25.4
326.16003	2.3
334.84473	1.4
343.18738	40.2
361.82098	1.9
386.15234	2.6
386.19293	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	387.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03690	0.5
56.39735	0.6
57.03454	0.8
57.14662	0.7
59.01387	11.5
69.03431	0.8
71.01376	9.0
72.99296	0.8
73.02958	1.1
75.00874	11.1
85.02950	14.0
87.00864	4.0
89.02434	3.3
93.03453	17.0
95.01376	2.9
99.00884	7.0
103.00361	1.4
111.00854	0.6
112.92838	0.7
113.02444	20.3
114.08276	0.9
115.00381	0.6
117.01927	2.8
129.01976	0.9
137.02444	65.3
143.72833	0.7
157.09776	1.1
158.09256	1.0
175.02477	1.3
200.14055	0.7
211.06178	8.1
231.05026	1.6
249.06181	26.0
257.16226	1.6
267.07251	22.9
308.37210	0.8
343.16302	3.8
387.09366	100.0
387.19360	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	387.1302
Annotation	Verbenalin
Peak:m/z	Relative Intensity
59.01383	44.2
59.04906	0.6
66.57884	0.6
70.57506	0.7
71.01379	6.6
78.95899	4.0
85.02946	1.0
88.04082	0.7
89.02438	7.9
101.02446	5.5
113.02438	3.7
113.09715	0.8
118.05132	0.7
119.03468	1.6
134.03725	1.1
137.02470	1.5
141.97516	0.6
148.38644	0.7
149.06062	0.8
151.03981	5.1
152.99568	7.9
153.05586	2.7
154.02776	1.6
159.10260	38.5
163.11276	15.7
165.01933	4.0
165.05559	12.8
166.06355	16.8
181.05054	3.6
181.08678	1.6
220.93164	0.7
225.07700	100.0
325.47647	0.7
341.10587	0.7
346.33267	0.8
387.12943	4.9
387.17288	42.7
400.25540	0.8
413.55637	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.9
63.98306	0.9
71.01371	1.9
77.25405	0.8
83.17163	0.8
85.02929	1.0
116.25398	1.0
121.02933	1.4
122.03718	1.7
132.59081	0.9
136.01654	54.5
137.02434	13.3
151.00356	4.8
151.03999	100.0
152.04810	4.9
163.04005	1.0
166.02708	44.9
167.03497	1.1
177.01955	2.1
177.05556	1.3
181.03474	1.9
181.05066	47.6
191.03418	1.1
203.07274	1.1
205.05048	1.7
206.50964	1.0
271.06195	1.1
311.10385	0.9
327.08768	1.1
329.10168	1.9
341.14328	1.9
357.09827	41.7
372.12122	10.0
387.14523	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	387.1665
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
50.67039	0.5
53.07880	0.6
55.52866	0.5
59.01381	59.8
61.05989	0.6
64.90008	0.7
69.29076	0.6
71.01379	11.1
73.34972	0.6
74.02470	5.4
85.02953	2.9
89.02438	13.1
101.02436	11.8
104.03526	1.0
113.02410	5.8
119.03494	2.9
129.10300	10.8
155.11922	1.1
163.11295	40.0
169.09863	2.6
176.03603	1.0
181.11829	0.8
186.12480	1.3
187.10934	0.9
200.14050	0.9
212.14168	0.8
218.27759	0.7
357.21213	2.6
387.16714	100.0
387.22461	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	387.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	66.3
65.71866	0.7
71.01373	12.4
76.75262	0.9
83.01352	0.9
85.02934	3.3
89.02437	17.8
99.00879	1.4
100.61650	0.8
101.02438	9.1
105.24342	0.8
113.02412	7.4
113.03565	1.3
114.05646	2.8
118.05108	1.2
119.03487	4.7
157.09941	0.8
163.11267	13.3
175.08368	1.0
177.51759	0.8
186.37650	0.9
207.10214	1.2
215.75215	1.0
221.12950	3.2
236.14218	0.9
243.98473	0.9
355.19867	4.6
387.16629	100.0
387.20947	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	387.1665
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
50.98112	0.6
52.50889	0.5
56.31462	0.5
56.57790	0.6
58.18703	0.5
59.01383	64.6
71.01382	9.1
73.02911	0.6
73.42049	0.6
83.01356	1.0
85.02937	2.7
86.89874	0.7
89.02442	13.7
101.02443	9.7
110.36626	0.7
113.02416	6.2
119.03499	4.3
123.04538	1.5
125.02432	19.5
137.02440	0.8
147.08124	0.9
149.02451	1.6
151.04048	1.7
163.11285	28.1
165.05559	4.4
166.06369	4.4
167.03505	1.0
181.05125	1.2
207.10255	2.9
225.04247	1.0
225.07689	33.2
287.07623	1.0
358.33551	0.7
387.16678	100.0
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	Thioridazine 5-sulfoxide
Peak:m/z	Relative Intensity
59.01381	66.3
65.71866	0.7
71.01373	12.4
76.75262	0.9
83.01352	0.9
85.02934	3.3
89.02437	17.8
99.00879	1.4
100.61650	0.8
101.02438	9.1
105.24342	0.8
113.02412	7.4
113.03565	1.3
114.05646	2.8
118.05108	1.2
119.03487	4.7
157.09941	0.8
163.11267	13.3
175.08368	1.0
177.51759	0.8
186.37650	0.9
207.10214	1.2
215.75215	1.0
221.12950	3.2
236.14218	0.9
243.98473	0.9
355.19867	4.6
387.16629	100.0
387.20947	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	387.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.8
56.72882	0.7
58.69101	0.8
59.01381	58.0
62.93908	0.7
66.42566	0.9
69.03431	1.3
71.01375	22.1
72.99290	0.9
73.02940	57.0
83.01379	9.9
85.02953	6.1
87.00883	0.9
89.02425	10.4
92.23100	1.3
101.02434	32.5
107.35243	1.0
113.02436	10.0
119.03514	1.9
121.10223	8.1
137.02429	1.0
151.03975	1.5
161.04581	3.6
165.09183	9.8
183.10248	2.0
190.08749	0.9
206.37531	1.0
206.51236	0.9
218.04611	1.6
327.14648	3.0
345.15530	5.5
387.16635	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	387.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.8
62.10822	2.0
71.01389	1.8
72.00919	2.6
74.02471	4.3
74.03615	3.3
81.72493	1.8
83.05061	2.1
98.02479	3.8
99.00871	7.9
102.23970	1.9
118.05096	26.6
159.04100	100.0
171.10062	2.1
175.07104	3.1
175.08380	9.8
183.78658	2.2
209.11830	37.3
211.13443	8.0
227.12852	4.2
253.10696	4.3
286.12958	3.1
369.16486	8.4
387.17731	53.4
387.22427	3.5
399.77386	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	387.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.1
58.02976	1.5
59.01377	4.5
63.93324	1.2
71.01357	2.5
72.37032	1.3
74.02474	22.8
75.00861	4.5
81.68391	1.2
85.02948	5.0
87.05642	15.4
88.03996	1.6
93.03457	1.7
95.01347	1.0
97.04099	1.7
98.93884	1.3
99.00896	2.0
99.04498	1.5
99.05630	1.9
101.07210	1.5
103.48923	1.2
110.02473	5.6
113.02461	1.6
113.03571	6.8
115.08773	16.8
122.78940	1.1
127.05123	4.9
129.06668	1.2
129.10236	1.8
130.08698	1.8
131.04620	14.8
133.02957	1.3
137.02469	13.0
139.03986	1.2
139.08707	2.3
140.07158	5.7
152.07130	2.4
157.09819	79.9
158.09343	45.7
169.09828	7.8
183.06606	1.6
186.12437	5.2
200.14029	19.5
202.08286	1.3
211.06020	1.5
224.14056	2.7
228.13467	1.3
242.15024	2.2
249.06215	2.5
257.16205	60.3
267.07281	2.7
268.13141	2.5
299.17261	5.7
301.15137	2.2
343.16248	100.0
387.08859	10.1
387.18875	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	387.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59874	0.5
51.87981	0.5
55.01871	1.3
56.46002	0.5
57.03454	0.8
57.06589	0.4
59.01382	49.5
60.28936	0.5
63.32041	0.5
65.35142	0.5
65.47787	0.5
68.46477	0.6
71.01378	35.0
71.23007	0.5
73.02945	7.7
81.05645	0.5
83.01398	4.1
85.02950	11.8
89.02432	28.4
95.01369	2.3
96.96005	6.5
97.02948	0.6
99.00871	2.5
101.02437	26.6
101.61015	0.7
108.37251	0.5
111.08136	1.0
113.02443	19.2
119.03496	10.5
121.56750	0.5
136.05301	0.9
140.21732	0.5
143.03526	1.0
152.08449	6.6
153.09181	0.7
159.03009	0.6
161.04526	6.1
172.09784	2.4
179.05606	2.9
189.12817	0.6
207.13847	0.8
225.14876	3.7
245.09180	0.8
258.68204	0.6
345.99365	0.6
369.18317	0.5
372.17761	0.7
387.20288	100.0
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	Rehmaionoside C
Peak:m/z	Relative Intensity
55.01867	1.2
57.03451	0.9
59.01383	59.2
59.38177	0.7
64.33267	0.7
66.27731	0.7
66.48818	0.6
66.78651	0.6
71.01379	39.1
73.02943	5.9
82.38377	0.7
83.01379	3.3
85.02943	12.0
89.02439	38.4
89.51674	0.7
95.01389	3.5
99.00879	1.0
101.02440	27.7
105.02857	0.7
110.00497	0.7
113.02446	18.6
119.03499	14.0
152.08429	9.9
161.04613	5.2
178.52309	0.8
179.05663	5.7
191.12909	0.7
225.15021	3.0
240.09338	0.8
387.20279	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80612	0.6
56.02531	1.3
56.58042	0.6
58.04095	4.6
58.74314	0.7
59.31035	0.6
63.84208	0.7
72.00914	1.3
74.03596	31.3
88.61942	0.7
92.66621	0.7
98.02501	3.0
99.00877	12.5
100.04058	1.1
116.03545	1.0
118.05099	100.0
133.06151	6.4
146.75687	0.8
175.08366	92.5
183.13892	3.4
211.13416	30.0
235.14536	8.3
268.16693	3.4
369.21539	11.1
387.22681	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	387.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00956	0.7
58.04103	1.6
71.24789	0.7
72.00892	2.5
74.03594	30.8
74.03997	1.4
98.02454	3.1
99.00877	16.4
100.04036	0.9
116.03526	0.9
118.05096	100.0
128.31271	0.7
129.87257	0.8
133.06183	6.7
150.38240	0.7
159.04111	26.9
160.48628	0.7
175.08365	76.6
184.20451	0.8
206.13031	0.9
209.11833	13.2
211.13405	16.0
216.56850	0.8
227.12920	1.1
235.14592	1.2
254.15112	4.8
268.16687	4.0
286.13110	0.7
325.17429	0.8
364.14465	0.8
369.16925	1.3
369.21350	9.4
387.17767	10.6
387.22528	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	387.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57593	52.4
58.93889	52.1
60.35402	52.4
65.00128	60.2
65.32388	57.7
65.78966	65.0
70.07287	49.5
92.22508	100.0
138.30386	69.5
149.22247	55.9
153.31731	67.1
189.90814	54.6
408.73453	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	387.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57593	52.4
58.93889	52.1
60.35402	52.4
65.00128	60.2
65.32388	57.7
65.78966	65.0
70.07287	49.5
92.22508	100.0
138.30386	69.5
149.22247	55.9
153.31731	67.1
189.90814	54.6
408.73453	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	387.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81087	0.4
58.00600	1.1
59.01382	3.7
71.01405	0.5
86.34447	0.5
89.02408	0.8
91.03994	9.8
99.08141	8.8
121.14888	0.5
127.07618	2.2
129.09209	27.9
167.63158	0.5
183.13901	55.6
195.13873	5.4
229.95749	0.7
232.06245	0.7
277.21747	6.1
295.22809	17.5
313.23877	100.0
350.51624	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62923	0.3
58.00590	0.8
58.70815	0.3
59.01384	3.3
63.23524	0.4
77.79187	0.4
89.02453	0.8
91.04002	6.9
108.98487	0.4
119.73400	0.4
125.09713	2.4
127.11282	3.9
139.11278	1.0
139.65665	0.4
155.10825	3.3
157.12357	0.7
165.09232	2.5
171.10280	8.7
183.10323	0.8
198.48354	0.4
199.09814	3.3
201.11346	75.2
203.31216	0.4
277.21774	10.5
295.22772	8.6
311.22391	0.8
313.23889	100.0
387.27377	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81087	0.4
58.00600	1.1
59.01382	3.7
71.01405	0.5
86.34447	0.5
89.02408	0.8
91.03994	9.8
99.08141	8.8
121.14888	0.5
127.07618	2.2
129.09209	27.9
167.63158	0.5
183.13901	55.6
195.13873	5.4
229.95749	0.7
232.06245	0.7
277.21747	6.1
295.22809	17.5
313.23877	100.0
350.51624	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2758
Annotation	oscr#26
Peak:m/z	Relative Intensity
59.01380	1.7
91.03989	5.8
100.71215	0.6
100.93557	0.6
103.95097	0.6
112.92651	0.6
125.09719	3.0
127.11279	4.0
151.40652	0.7
155.10774	1.6
165.09270	0.9
171.10268	9.4
183.10312	1.2
199.09761	2.7
201.11342	76.7
225.20404	0.8
277.21719	8.8
295.22751	8.1
313.23904	100.0
330.57962	0.8
387.27707	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	387.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06932	1.7
54.09318	1.7
69.57548	2.1
104.03835	2.3
117.03468	3.6
118.04205	2.2
119.05013	12.0
121.02939	5.6
126.02224	2.2
136.53900	2.5
145.02936	33.2
162.03192	3.4
163.04034	5.4
269.74969	2.4
269.77936	2.3
291.11758	2.6
387.29077	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	387.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38306	0.3
51.41446	0.3
53.17577	0.4
56.65060	0.4
58.51703	0.3
59.09229	0.3
61.24001	0.3
63.38998	0.4
67.51160	0.3
117.03448	8.1
118.04230	11.2
119.05014	29.2
121.02943	7.7
123.04523	2.1
128.45380	0.5
131.01094	0.4
133.02953	0.7
145.02950	46.0
147.19841	0.4
158.06717	0.4
162.03217	5.3
163.04015	20.4
275.35745	0.4
338.83786	0.5
387.29086	100.0
397.64056	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13757	0.5
59.01377	3.2
61.23807	0.6
61.78300	0.7
61.98835	100.0
66.70553	0.7
81.83093	0.6
109.31263	0.7
125.06165	0.7
131.78835	0.7
244.65100	0.7
322.64493	0.7
325.20233	0.9
382.27689	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	389.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06034	1.1
59.01380	27.3
60.58018	1.4
65.83061	1.5
71.01380	9.0
71.90049	1.5
73.02935	3.9
85.02951	2.0
89.02452	8.6
91.05759	1.3
93.14763	1.4
101.02441	8.2
113.02420	2.7
117.35500	1.5
121.02929	2.3
123.04512	7.7
127.76049	1.5
134.03740	94.0
134.77608	1.6
135.04491	6.4
137.02446	6.6
147.11821	2.5
149.02432	10.8
149.06075	25.5
150.03227	70.6
151.04004	19.7
164.04753	7.5
165.04231	3.3
165.05580	81.3
178.02740	56.1
180.04279	8.9
181.05124	17.0
193.05070	100.0
195.06638	18.6
267.06677	3.2
282.08905	9.4
341.10349	32.0
382.92691	1.5
389.12482	75.2
389.18097	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	389.1247
Annotation	Populin
Peak:m/z	Relative Intensity
51.42539	0.6
59.01386	7.6
61.98837	0.8
63.67987	0.6
71.01376	1.9
72.25459	0.7
85.02965	3.2
89.02427	0.8
93.03433	0.8
97.35303	0.8
101.02409	1.2
110.50663	0.8
111.00880	1.3
113.02420	1.2
121.02931	1.7
122.03696	3.8
133.02965	1.1
134.02728	1.8
134.03737	44.0
137.02441	1.8
149.02451	8.8
149.06087	17.5
150.03224	70.0
164.04810	3.7
165.05568	100.0
178.02718	40.6
180.04256	9.0
193.05067	83.7
195.04834	1.8
195.06636	46.4
238.48225	0.9
282.09027	1.6
285.25525	0.7
341.10379	5.1
359.15585	1.0
389.13431	2.4
389.18210	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	389.1246
Annotation	Populin
Peak:m/z	Relative Intensity
54.76723	1.0
58.02916	0.9
59.01374	7.1
71.01353	1.2
77.35793	1.1
99.74367	1.1
107.39285	1.0
110.23731	1.1
112.78516	1.4
121.02943	14.5
122.03731	1.9
133.02951	2.0
134.03735	49.2
135.04515	1.2
137.02417	2.8
141.76689	1.1
148.53162	1.1
149.02425	20.6
149.06082	16.7
150.03220	76.5
153.84740	1.1
164.04807	9.4
165.05562	100.0
175.03976	2.6
178.02719	34.3
180.04317	9.5
181.05119	4.4
189.05536	1.4
190.06358	2.3
191.07213	1.2
193.05066	75.7
195.06633	44.8
195.08342	2.3
202.94945	1.1
239.07115	4.9
250.06409	1.7
252.07790	1.2
267.06668	7.6
282.09000	14.9
341.10339	52.6
342.56607	1.3
389.12158	2.4
389.17477	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	389.182
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
54.13278	0.6
58.55346	0.6
59.01376	6.1
71.01377	3.0
73.02941	3.5
76.06326	0.7
83.01337	0.7
89.02451	0.8
92.47639	0.7
101.02444	6.6
113.02446	1.2
125.02475	0.7
126.76442	0.6
165.12840	37.1
183.13899	100.0
197.15475	17.4
202.33157	0.7
207.13843	8.1
209.11848	7.7
225.14944	12.8
227.12891	66.4
251.12907	3.0
269.13940	7.9
299.15057	5.1
329.16086	24.6
354.73611	0.7
389.18088	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	389.1819
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
50.56482	0.8
57.03444	0.8
59.01382	53.0
61.98829	10.9
71.01376	5.6
73.02936	4.1
73.42475	0.9
83.01394	2.0
85.02958	3.5
87.00853	1.4
89.02436	4.6
92.23148	0.9
101.02429	11.8
110.53644	0.8
113.02415	5.5
114.05608	1.8
119.03512	1.1
167.32962	0.8
169.63510	0.9
169.65048	1.0
289.33618	1.0
313.67041	0.9
389.18201	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	389.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29393	0.6
59.01382	47.1
61.98837	1.4
71.01378	20.4
75.03020	0.7
83.01385	0.9
85.02954	4.4
89.02438	23.6
95.01364	1.1
98.02473	1.0
101.02445	12.9
113.02456	7.1
118.04973	0.7
119.03474	5.1
147.11804	5.0
149.04608	0.7
167.62784	0.6
179.05632	0.9
191.10751	1.3
200.12903	0.8
209.11841	19.7
389.18277	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	389.195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	48.5
59.96668	2.8
60.39767	2.8
62.94699	3.8
64.08136	3.7
81.03470	5.7
83.01382	13.6
83.05013	3.8
97.02929	6.0
97.06554	8.3
97.10189	3.5
123.04498	7.8
123.08132	5.2
125.09756	24.9
127.73922	3.5
135.08228	3.1
137.09741	19.0
141.12811	4.4
163.11304	21.6
165.12877	4.2
165.25439	3.7
174.76297	3.2
175.07372	5.2
185.11774	24.2
191.10649	3.7
191.14384	13.6
203.10699	5.7
207.10223	18.4
209.11879	67.2
223.08614	3.5
225.11378	12.8
230.60469	4.0
231.10054	61.8
245.19060	27.3
285.18454	8.4
289.18167	80.5
291.12665	4.7
307.19205	85.7
317.17542	4.4
329.17279	33.9
389.19498	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02556	0.8
52.62769	0.7
53.20933	0.7
59.01392	3.2
61.98817	1.6
63.96244	82.8
69.83125	1.0
79.95741	100.0
80.96514	4.6
98.59818	0.8
122.06738	0.9
132.99669	5.3
175.08031	1.7
389.20096	95.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2048
Annotation	pre-putrebactin
Peak:m/z	Relative Intensity
55.63554	1.0
59.01381	1.9
66.60930	0.9
66.69632	0.9
71.01396	1.8
71.02519	5.8
73.04065	29.4
74.02472	27.7
82.63390	1.0
84.00905	1.6
87.05628	23.1
96.96008	1.6
106.51096	1.1
107.28565	1.1
111.02003	7.0
113.03571	13.0
115.00361	2.5
117.06690	23.5
117.07455	1.6
118.05127	2.4
126.09225	2.7
127.05024	1.1
127.83874	1.1
130.08733	1.2
131.04611	16.9
133.77795	1.3
139.08813	1.5
139.17137	1.0
141.10361	4.9
152.07164	11.2
165.10384	1.1
169.09846	19.9
179.99608	1.2
182.13138	1.4
186.12505	4.3
187.10913	1.8
200.14063	100.0
210.12596	7.0
222.12434	1.8
225.13626	2.3
226.12024	2.2
257.16257	23.8
270.14645	10.1
280.96811	1.3
301.15234	29.8
327.17014	1.5
345.17807	83.5
362.38199	1.3
389.20581	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	389.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53632	37.5
59.01375	100.0
65.98074	34.6
81.37243	39.9
92.22564	78.5
108.17700	47.4
119.12342	56.4
146.58391	45.4
214.79390	44.7
237.10217	42.0
263.66287	50.8
339.00266	42.3
389.16495	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	389.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56364	1.2
59.01382	100.0
69.39709	1.3
85.62330	1.2
92.23093	2.8
125.99886	1.3
126.60478	1.3
143.91165	1.3
178.34454	1.5
255.90913	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	389.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
91.44666	1.4
96.89568	1.1
102.31065	1.3
120.86634	1.3
147.73186	1.2
180.51578	1.3
184.81825	1.3
198.65619	1.4
218.02780	1.3
379.50931	1.4
380.67938	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	389.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89802	0.6
52.35363	0.6
53.97625	0.6
59.01380	100.0
63.19801	0.6
69.68092	0.6
73.24234	0.6
81.28470	0.6
92.10229	0.6
92.22340	0.7
99.02210	0.6
105.10812	0.6
155.28844	0.8
253.87579	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24509	0.6
58.35222	0.6
58.78459	0.5
59.01388	8.1
61.98835	55.8
67.39082	0.5
68.52928	0.5
68.70609	0.5
79.95742	33.1
80.96516	58.9
86.13256	0.6
92.10204	0.7
96.96006	21.7
130.32739	0.7
130.88841	0.8
141.12863	4.9
149.09721	1.5
156.10367	0.9
170.11893	1.2
181.16003	2.8
194.95114	0.7
204.25912	0.8
260.14963	0.7
274.21753	1.2
290.21472	0.9
292.22849	17.1
327.21512	0.9
330.26471	5.7
390.19626	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81534	0.7
56.14737	0.8
59.01382	51.2
61.90975	0.8
61.98519	1.4
61.98829	39.0
75.47804	0.9
79.95733	36.1
79.96185	1.8
80.96049	2.0
80.96514	50.6
83.36240	0.9
84.11980	0.8
96.95999	31.9
103.83326	0.9
109.04209	0.9
115.07632	4.8
167.14442	1.0
184.13457	8.6
212.16541	4.7
224.16620	3.9
242.17590	5.8
290.43130	1.1
292.22864	14.3
330.26550	27.8
390.19586	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21517	0.4
51.48656	0.4
53.42851	0.4
57.48976	0.5
58.64220	0.4
59.01359	0.4
60.80030	0.4
61.98832	100.0
63.88652	0.4
110.83810	0.5
111.12506	0.6
124.99075	0.6
142.72646	0.5
178.33437	0.5
290.96857	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.3
59.50012	0.5
61.98830	100.0
67.04323	0.7
69.34365	0.6
79.23927	0.6
96.95979	1.0
113.99451	0.8
166.90453	0.9
180.06691	3.1
184.99451	0.7
283.02661	1.5
298.04858	1.5
315.88718	0.7
327.21790	1.0
390.19327	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	390.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12569	0.6
59.01383	8.7
61.98831	100.0
62.47517	0.7
85.70894	0.8
88.20055	0.8
143.38713	0.8
145.43036	0.8
327.21790	1.7
330.26617	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	390.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.7
61.98833	100.0
79.95733	0.7
80.96516	0.9
81.96774	0.6
87.12597	0.5
87.32899	0.6
107.98635	0.5
116.60432	0.6
128.77803	0.7
132.38371	0.6
139.64780	0.6
139.83560	0.6
209.11771	0.7
217.31551	0.7
327.21622	1.2
384.21872	0.6
390.19760	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98835	30.0
75.14317	0.6
80.96515	3.9
90.32285	0.7
91.07784	0.8
96.95996	1.6
108.94330	0.8
128.31883	0.8
143.10736	1.0
155.10829	1.3
157.12270	5.7
170.11838	6.1
170.99930	0.7
182.11942	1.2
184.13501	1.1
200.12965	6.2
245.60809	0.8
292.22821	1.3
297.15515	0.7
330.26563	46.6
358.65158	0.7
390.19720	7.1
398.29050	0.8
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
53.66404	0.9
54.04077	1.0
59.01382	100.0
59.84227	1.1
61.98832	28.9
73.87408	1.1
77.55545	1.2
79.95753	1.8
80.95138	1.1
80.96510	2.0
92.92232	1.1
96.86122	1.1
96.96002	5.0
99.08163	1.2
101.86418	1.2
104.19569	1.1
115.07645	6.7
205.76358	1.2
212.16585	7.8
214.14453	2.5
224.16524	6.1
240.36168	1.2
242.17685	5.9
280.56860	1.3
330.26511	60.7
390.19559	9.8
395.81235	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	390.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02968	1.2
59.01382	100.0
61.98833	88.5
70.27752	1.1
72.92590	1.1
79.95735	23.9
80.96515	45.5
93.79318	1.2
96.95998	22.8
102.71609	1.1
113.09716	2.5
129.09146	9.0
156.10349	2.4
173.79581	1.1
179.11699	1.2
181.16255	1.4
191.92621	1.3
194.15527	1.6
198.14981	11.0
210.15028	9.3
212.16643	1.6
228.16019	9.6
292.22873	12.4
330.26517	82.4
390.19626	73.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	88.5
61.98831	100.0
72.39238	1.1
88.45236	0.8
103.52505	0.8
141.12888	0.9
154.12463	0.9
157.12341	7.5
170.11914	8.0
184.13446	1.0
186.82188	1.0
200.12915	6.8
203.02908	1.0
216.30035	0.9
234.35892	0.9
315.00446	1.0
330.26517	49.0
341.83078	0.9
402.35443	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73136	1.1
57.03452	1.3
58.02949	1.6
58.33303	1.1
59.01381	100.0
60.58527	1.3
61.98830	8.8
68.71799	1.5
73.62520	1.3
85.02957	5.8
93.89067	1.5
94.27493	1.5
127.58872	1.4
156.10251	7.0
171.13898	6.3
186.11349	9.3
196.65822	1.6
268.84448	1.5
285.78326	1.6
300.44724	1.5
330.26505	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	390.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29434	1.6
56.33603	1.8
59.01381	100.0
61.98835	39.1
65.01926	1.9
66.82108	1.6
80.96536	3.5
91.77858	1.9
96.96021	2.3
107.42796	1.6
115.07644	8.8
118.54046	2.0
142.81575	2.6
158.85185	1.9
212.16609	8.7
224.16563	2.6
242.17657	7.9
330.26535	62.3
349.46136	2.2
370.13394	2.0
390.19852	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	390.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.98835	9.1
66.75694	0.5
75.00639	0.5
113.09721	1.2
123.86090	0.6
127.07603	0.9
129.09219	7.8
131.77608	0.6
194.78680	0.6
198.15007	6.7
210.15091	5.3
212.16516	0.7
215.48790	0.6
228.16035	7.8
312.25238	0.6
317.07346	0.7
330.26520	43.9
360.68939	0.6
383.29602	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63863	3.0
57.67358	3.2
59.01376	24.7
71.01378	4.4
72.46410	3.5
78.19173	4.0
80.32098	3.5
83.60683	3.5
101.02392	4.6
127.71017	3.9
132.04530	5.5
134.03728	24.9
149.06087	23.2
171.13559	4.1
176.03487	9.2
178.02716	27.5
193.05074	100.0
205.07259	6.3
229.15536	20.4
231.51553	4.6
251.93306	3.7
315.09860	5.8
329.27499	4.3
329.49554	3.9
348.24130	4.6
391.16528	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	391.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14254	0.9
54.03811	0.8
59.01383	24.4
61.86219	0.8
65.73011	1.0
71.01348	3.6
72.64805	1.0
73.02942	2.1
75.00868	0.9
75.72806	0.9
76.53857	1.1
78.19357	0.9
80.06596	1.1
89.02434	4.6
101.02450	2.1
113.02469	1.8
116.58973	0.9
122.06116	2.1
132.04523	1.4
143.55385	1.0
160.04031	94.4
165.04103	1.8
176.03517	18.7
199.13419	12.6
204.03059	12.0
208.85721	1.0
219.05374	100.0
220.06139	4.2
222.04073	4.1
233.03249	8.0
243.12291	5.7
250.03511	2.5
251.04343	29.6
251.07994	2.1
283.07123	1.7
311.06854	1.2
329.11411	22.4
331.17474	1.6
334.55832	1.1
341.11441	55.4
349.18781	2.0
359.12500	19.4
361.14243	1.9
373.14261	14.0
384.15982	1.1
391.15317	46.2
391.19873	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	391.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12933	0.5
53.25014	0.4
57.03450	1.0
59.01386	8.2
59.07938	0.5
61.98781	0.5
62.88443	0.7
65.64645	0.5
69.80453	0.5
70.28414	0.5
71.01380	1.3
82.61840	0.6
84.81906	0.5
89.02460	0.9
99.04514	1.3
101.02433	1.2
116.05096	0.7
122.06115	2.0
132.04533	1.3
160.04031	82.5
161.04811	1.1
176.03523	12.1
204.03014	12.4
219.05373	100.0
220.06139	4.6
222.04042	2.8
233.03317	6.2
233.42758	0.5
245.86427	0.5
250.03546	3.8
251.04353	30.4
313.44174	0.6
319.26721	0.6
329.11456	15.9
341.11435	54.5
359.12488	13.8
373.14041	9.7
391.15189	30.2
391.20160	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80129	0.7
59.01383	23.7
61.98834	12.3
69.03448	2.2
71.05006	1.3
78.95909	18.4
79.95732	5.1
84.36296	0.9
85.67529	1.0
96.95963	1.9
110.98534	19.9
129.09789	1.1
152.99599	1.7
167.01137	24.4
167.10745	9.2
177.12810	1.8
179.10741	5.7
179.14468	7.9
180.91508	1.1
185.02220	5.4
195.13922	27.9
205.12326	15.3
223.13411	100.0
265.20276	1.0
376.04437	1.1
391.15268	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	391.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	5.0
57.03443	2.0
59.01380	36.5
60.60083	1.0
71.01365	4.9
71.05019	2.3
73.02938	1.3
75.00868	7.5
85.02927	6.2
85.06563	2.0
87.15376	0.9
89.02416	3.6
101.02409	6.0
111.08144	1.9
113.02393	1.8
125.09695	5.7
129.01909	4.5
143.07114	2.4
144.17020	1.1
147.02975	6.0
157.08696	7.5
161.04539	1.5
164.03510	1.7
165.04039	16.0
181.12357	26.5
197.11960	3.1
199.13408	100.0
204.27545	1.2
225.11298	2.0
243.12361	29.5
331.17615	8.3
341.11209	1.2
349.18637	1.5
372.59625	1.0
391.16028	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	391.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03596	1.6
57.03452	98.3
59.01383	100.0
63.02674	1.6
71.01381	13.9
78.24539	1.8
80.57238	1.7
85.02920	2.3
89.02440	22.7
90.01531	1.6
99.04508	87.4
101.02447	26.0
108.02168	9.2
113.02428	10.4
119.03468	8.2
125.02452	27.7
135.04520	2.2
143.03482	2.2
145.80495	2.1
152.01154	12.5
179.03476	3.9
179.05612	2.0
193.05104	2.7
211.54547	2.0
214.53085	2.2
289.06369	11.8
289.12888	2.5
326.80695	2.0
338.78830	2.0
347.21002	1.9
391.10419	3.2
391.15677	26.0
391.19971	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	391.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	9.6
59.01379	19.2
61.89528	0.7
67.19070	0.8
71.01376	1.9
74.02483	1.4
77.41747	0.9
78.17642	0.7
85.02921	1.0
87.04581	0.9
89.02431	1.4
99.05631	18.9
101.02466	1.6
113.02430	1.0
119.03510	0.8
119.78673	0.9
129.83438	0.9
133.04466	2.7
143.04623	61.2
183.13898	0.9
195.13864	1.8
213.14951	19.9
247.13731	22.6
287.08087	1.0
302.91794	1.0
331.17609	1.6
350.59619	0.9
391.19171	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	391.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05258	1.2
58.59604	1.5
59.01383	100.0
59.51004	1.6
60.97256	1.5
61.84328	1.4
68.71043	1.4
71.01374	32.3
73.02942	93.1
73.03355	3.1
83.01380	14.2
85.38488	1.4
89.02439	8.4
101.02439	57.2
113.02426	13.4
119.03484	2.7
125.02524	1.9
128.03775	1.8
130.67148	1.5
131.03528	3.9
143.03500	3.8
149.04556	7.6
161.04550	18.3
169.12343	73.9
192.47508	1.8
201.99663	1.7
221.06616	6.2
283.43216	1.6
391.19531	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	391.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98844	0.6
69.07201	0.4
73.02934	0.7
76.49355	0.4
111.15831	0.5
118.45303	0.5
164.86034	0.5
169.12398	0.7
199.76096	0.5
229.45735	0.5
266.20840	0.5
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
52.50339	0.8
54.58451	0.9
54.98560	0.7
57.03445	1.1
59.01382	100.0
59.66448	0.9
61.98845	0.8
66.64416	0.8
71.01373	24.9
72.99316	0.8
73.02937	16.9
83.01408	3.6
85.02962	6.4
87.04517	1.6
89.02444	18.0
95.01364	3.4
99.00842	1.1
101.02454	20.0
107.85680	0.8
113.02449	15.6
119.03506	7.5
141.86417	0.8
143.03503	1.5
160.01646	3.8
161.04556	5.1
175.04024	13.7
185.11894	1.0
187.13428	11.0
193.05147	1.5
331.14032	1.4
331.17673	23.1
349.18732	21.6
355.10449	9.4
391.19913	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	391.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83189	0.5
51.06666	0.6
55.17661	0.6
59.01382	100.0
60.66868	0.5
61.98824	2.8
62.18870	0.5
65.43980	0.6
71.01385	1.6
73.02959	4.6
73.73782	0.6
83.01395	0.7
85.02946	0.7
87.38079	0.6
101.02434	3.4
101.81385	0.6
104.49876	0.6
113.02448	0.6
124.65423	0.6
130.25592	0.6
150.76273	0.6
169.12312	3.6
195.85655	0.6
199.04446	0.6
208.59680	0.7
332.02417	0.8
391.19376	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21642	6.3
59.01383	80.8
69.04866	7.2
111.08163	15.4
163.11253	7.8
173.13068	8.0
197.11790	86.0
209.15460	15.5
215.10501	14.5
233.11601	100.0
291.19772	10.1
293.12781	8.3
309.20605	66.1
313.17932	16.9
331.18930	17.8
390.57419	8.3
391.20901	81.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32783	2.3
55.57940	2.3
59.01385	36.9
70.43206	2.3
73.17642	2.2
83.01398	11.0
83.05024	5.1
92.22499	6.0
95.05004	3.5
97.06665	2.8
123.08143	3.1
125.09715	14.0
139.11279	15.2
147.39886	2.5
163.11258	17.0
164.75938	2.9
165.12784	22.7
167.10757	6.4
181.12296	6.0
191.10751	5.6
193.16039	4.2
209.11853	78.0
231.10008	41.4
247.20663	20.8
265.21735	4.3
281.21179	3.6
291.19714	65.5
309.20776	100.0
319.18811	3.0
331.19156	28.2
391.21060	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	391.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
59.19923	3.9
59.97065	4.0
70.22962	4.8
92.22595	9.4
102.34669	5.1
129.27525	5.0
144.38084	4.3
178.76848	4.9
387.81351	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	392.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33916	1.0
57.03451	100.0
59.01384	57.8
65.95525	0.9
71.01379	25.1
73.02942	7.5
81.03444	1.6
85.02938	4.7
89.02448	4.7
99.00901	2.0
99.04510	80.2
101.02430	32.5
107.81598	1.2
113.02466	11.6
119.03455	1.8
125.02446	19.9
130.99965	1.3
143.03477	1.6
159.02977	2.5
161.04535	20.7
171.23215	1.2
194.25201	1.1
195.27417	1.2
248.11426	10.9
290.12485	4.6
330.15674	2.8
392.15622	41.4
397.27487	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	392.1832
Annotation	Glu-Phe-Val
Peak:m/z	Relative Intensity
59.01397	0.8
68.42712	0.8
72.00887	1.4
82.02998	0.9
91.05500	1.7
100.04053	3.7
101.07181	1.6
102.53973	0.8
102.76025	0.8
109.04079	0.9
115.08103	0.7
115.08766	6.1
116.07147	3.4
118.06618	1.4
122.09731	1.3
123.03233	1.0
126.05592	4.0
127.05119	10.3
128.03546	3.6
145.06200	4.1
147.04515	14.3
155.11856	1.0
163.74286	0.7
164.07179	45.2
165.10350	4.2
166.08725	15.5
171.37120	0.7
172.10924	1.4
182.13026	1.4
183.11365	2.9
197.42458	0.7
200.14073	12.7
208.10916	23.2
209.09431	1.5
214.08702	1.1
219.15063	8.3
226.11993	5.4
227.10429	1.3
231.11331	1.2
263.13986	3.2
276.59518	0.7
304.20410	0.8
330.18259	1.8
374.17276	8.9
380.75601	1.0
392.18362	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99599	0.7
57.84597	0.8
61.98832	100.0
76.83450	1.0
89.63979	0.9
96.96001	6.0
102.89713	1.3
103.53561	1.1
122.50183	1.0
222.93523	1.0
329.23758	1.1
392.21042	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	392.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18681	0.5
61.98832	100.0
71.01003	0.6
73.79359	0.6
79.95734	6.1
80.19151	0.7
80.96494	0.8
82.62813	0.8
83.66850	0.6
96.96011	22.0
102.31995	0.7
127.11282	0.7
221.08510	1.3
311.99875	0.7
382.37161	0.8
392.21210	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	392.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40456	1.4
53.95451	1.5
55.62859	1.5
59.92678	1.3
61.38958	1.6
61.98832	100.0
64.83128	1.6
71.21917	1.5
90.96886	1.5
97.57449	2.0
113.06120	1.6
120.94366	1.6
160.62682	1.8
183.06364	1.7
218.90337	1.5
276.54202	1.6
298.67944	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	392.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	6.3
56.25338	5.1
61.98838	100.0
65.98000	7.6
74.15382	6.2
92.23096	11.7
96.96001	8.6
108.46903	6.0
191.10286	8.8
220.40038	6.0
286.02939	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	392.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
96.95999	8.0
109.03676	1.8
126.14870	2.2
150.61160	2.3
187.36670	2.3
283.67291	2.0
392.21069	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	392.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57269	0.5
59.01384	100.0
63.71449	0.6
70.46619	0.5
110.48202	0.7
363.32184	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01326	0.7
59.01380	100.0
83.02724	0.8
101.50930	0.8
103.40459	0.8
107.35989	0.9
111.86314	0.7
133.09306	0.9
145.44296	0.9
149.65891	1.0
189.15726	1.0
238.37799	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93609	0.6
59.01379	100.0
74.23357	0.8
86.87974	0.6
97.22559	0.7
101.92428	0.8
112.21762	0.8
125.05995	0.7
192.45966	0.7
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
59.01381	5.9
70.76892	0.8
81.03453	6.7
81.28132	1.0
83.05019	7.3
93.03433	4.0
97.98554	1.0
109.02932	1.9
111.04510	53.4
127.04007	100.0
134.03728	5.3
137.02431	7.7
155.03500	60.6
155.04802	1.1
157.44559	1.1
170.74265	1.0
193.05101	4.9
199.02507	55.6
212.36693	1.1
223.06247	1.1
267.53754	1.1
393.18112	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	393.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47800	0.4
51.84478	0.4
55.09911	0.4
59.01387	0.7
61.99348	0.5
62.22069	0.4
67.13973	0.4
68.88742	0.4
69.29041	0.5
69.77846	0.5
71.01374	2.0
73.02930	1.1
73.52387	0.4
87.00848	0.7
89.02440	17.1
102.59026	0.5
103.03984	1.2
103.59052	0.5
130.08737	0.8
131.03493	6.9
149.04547	100.0
167.54495	0.5
241.00673	0.6
244.94099	0.5
294.31720	0.6
299.20767	0.5
393.09952	1.0
393.14981	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30145	2.0
55.36296	2.1
56.16098	1.7
57.03452	3.5
59.01384	27.3
59.69323	2.0
60.31087	1.7
65.99821	2.2
68.99821	43.9
70.85933	1.9
71.01383	2.5
84.04524	2.9
89.02387	2.9
93.03465	4.5
94.02935	2.1
101.02435	100.0
108.04534	3.4
109.02982	18.5
110.02427	3.6
110.06143	3.2
112.04021	19.7
115.92020	2.9
116.92869	3.2
122.06094	4.8
132.02213	3.5
133.02940	5.3
135.00873	3.0
135.04468	2.2
136.04030	8.6
138.01930	9.2
138.05525	2.7
150.03203	3.6
151.02736	16.6
151.03972	8.5
152.03535	4.3
155.03456	5.4
164.03421	2.5
165.05562	13.9
174.09268	9.7
176.01100	8.8
176.03520	14.2
177.01945	28.5
180.02989	11.9
183.06747	3.6
190.08716	4.4
198.09138	17.8
207.05368	8.5
208.06230	15.5
209.04515	9.9
216.91391	2.5
217.09818	4.0
218.08203	10.6
227.05911	4.7
242.08221	38.1
248.09109	5.3
253.03738	2.5
254.08315	4.1
259.10889	10.9
261.08771	9.6
272.09293	33.8
274.07367	2.8
274.10529	2.6
289.11993	4.0
291.09842	41.0
315.09857	4.7
316.08264	21.8
317.11615	15.6
318.09735	2.7
333.10934	8.9
347.12491	83.6
348.10947	16.4
350.12442	4.8
361.10266	13.7
393.05005	2.4
393.13071	26.5
393.17792	4.1
394.08832	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	393.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35545	1.4
57.89769	1.6
59.01385	19.9
60.35651	1.8
68.99813	48.9
71.01376	2.4
87.00844	2.4
101.02440	100.0
108.04535	4.7
109.02953	23.8
110.02440	3.2
110.06123	3.9
112.04026	18.5
122.06084	3.7
132.02077	2.0
133.02936	7.8
135.00893	3.6
136.00427	2.1
136.04044	7.7
137.02444	4.3
138.01955	4.1
138.05618	2.8
145.02950	2.0
151.02811	15.1
151.03899	3.1
152.03520	8.2
155.03484	4.2
164.03522	2.5
165.05553	3.6
169.05148	2.9
172.07695	2.8
174.09276	10.3
176.01163	20.8
176.03531	10.2
176.07236	2.4
177.01942	22.4
178.05174	4.1
180.03015	11.0
183.06831	7.8
190.08780	4.5
194.04607	2.3
198.09302	18.6
202.08980	3.5
203.06038	2.2
207.01733	4.0
207.05394	4.5
208.06218	12.9
216.10298	2.8
217.09784	8.0
218.08179	4.3
227.05975	8.8
240.04926	2.4
242.08220	30.8
244.06105	2.1
246.06343	2.8
248.09294	7.8
259.11011	3.1
260.09290	3.5
261.08795	4.4
270.06387	2.3
272.09302	26.6
279.62439	2.2
289.12079	4.3
291.09848	42.6
300.08585	2.3
303.06149	2.6
313.73633	2.0
315.09991	4.1
316.08389	18.9
317.11377	10.4
318.09973	2.1
333.11020	8.1
339.61301	1.8
347.12509	71.1
348.10849	11.5
350.12561	7.8
361.10391	15.2
365.13583	4.3
393.13168	18.8
393.17792	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	393.1381
Annotation	SCHEMBL16892136
Peak:m/z	Relative Intensity
50.16526	0.9
54.81402	1.0
55.35164	1.0
58.21318	1.2
58.89273	1.2
59.01367	5.0
61.02015	1.0
61.67027	1.1
62.94757	1.0
74.56686	1.2
74.61723	1.0
79.52816	1.3
84.93884	2.0
94.67889	1.2
99.92583	68.8
100.93353	15.8
103.79528	1.1
114.10858	1.2
115.92067	47.2
116.92853	100.0
121.10246	1.3
122.24041	1.2
129.84825	1.2
159.65105	1.3
171.10324	1.2
197.30855	1.4
311.16855	1.7
339.79587	1.3
375.12787	21.1
393.13782	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	393.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65413	0.6
57.96076	0.6
84.93862	4.0
99.92578	56.4
100.93355	18.5
113.09705	3.8
113.89619	0.7
115.91245	1.1
115.92068	26.7
116.92847	100.0
139.11276	6.8
217.05949	0.7
224.82822	0.6
245.19067	1.2
263.20035	1.4
300.16064	0.8
349.14615	0.8
371.09503	0.8
375.12701	4.8
389.10687	1.2
393.13782	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	393.1377
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	8.5
70.13022	0.7
78.84011	0.8
80.96521	4.1
84.93864	1.4
92.23200	0.9
94.46161	0.8
99.92578	53.6
100.93344	12.2
113.09689	3.6
115.92078	32.7
116.92854	99.4
119.69827	0.9
139.11284	7.0
245.19243	1.3
263.20197	1.9
293.21310	1.1
375.12616	5.6
389.10751	1.0
389.67422	0.9
393.13837	100.0
393.18875	3.2
403.32184	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80125	1.7
56.24259	1.8
57.03194	3.2
57.03454	55.6
59.01382	100.0
62.20140	2.0
68.99812	10.7
71.01385	20.8
73.02939	5.1
75.00861	3.1
83.01404	2.6
83.94890	1.9
85.02952	14.0
87.00892	3.6
89.02434	11.6
90.08801	1.9
99.00872	3.7
99.04518	60.9
99.92580	2.9
100.93398	3.4
101.02440	61.0
108.19204	2.1
109.02975	3.8
112.04034	3.5
113.02441	18.8
116.92810	2.2
119.03455	2.4
125.02432	28.2
135.34624	2.3
136.03979	2.4
137.02417	3.3
143.03580	4.1
143.07135	15.2
150.03268	2.9
159.06680	4.7
160.74883	2.4
161.04570	14.3
164.33289	2.3
165.05530	4.7
169.05063	2.6
177.01900	2.6
218.08287	2.7
242.08235	8.9
249.06047	9.6
249.09909	21.5
272.09259	9.9
287.10330	3.2
291.10526	27.7
303.06128	2.7
317.11441	3.1
331.13965	2.9
347.12549	26.7
348.10864	3.3
393.04959	9.1
393.13953	76.0
393.18680	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	393.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	68.4
64.85381	1.1
71.01376	43.8
73.02933	12.0
75.99302	1.1
81.02069	1.3
85.02936	5.7
89.01873	3.2
89.02434	100.0
94.30653	1.4
99.00869	28.5
101.02436	31.2
102.39859	1.2
113.02441	17.5
119.03477	13.9
125.02419	2.4
131.03474	9.4
149.04543	32.6
179.05580	2.9
191.05617	11.9
221.06770	1.8
232.15080	1.3
237.77068	1.4
251.07637	2.6
273.13901	1.7
274.80634	1.3
325.52142	1.6
393.17703	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	393.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.19807	0.4
164.34637	0.5
180.55066	0.5
393.24112	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37178	1.0
59.01381	100.0
62.64432	1.1
65.01860	1.0
70.44358	1.0
107.33603	1.1
111.76746	1.2
115.44170	1.2
120.73627	1.3
139.22913	1.5
254.78697	1.2
267.56992	1.1
378.51740	1.4
408.01581	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
64.93604	0.3
108.86289	0.4
133.98114	0.4
134.42911	0.4
212.13304	0.4
256.67944	0.4
393.21170	0.5
405.63135	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39119	0.4
59.01382	100.0
61.98829	3.1
74.28467	0.5
80.82507	0.5
96.96000	7.2
186.80795	0.6
292.37222	0.6
313.24051	1.1
333.18240	0.9
350.50128	0.6
393.19574	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	393.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
57.03458	7.8
59.01382	49.3
65.09870	0.6
70.28938	0.6
70.61881	0.7
71.01377	22.2
71.01775	0.7
73.02935	8.6
82.07138	0.6
83.01399	3.9
85.02945	11.6
87.00887	1.3
89.02431	11.7
95.01377	1.7
96.93079	0.7
99.00892	3.4
99.04535	5.8
100.39167	0.8
101.02435	21.7
109.05398	0.7
111.00883	0.9
113.02432	9.9
119.03502	3.1
125.02459	3.3
131.03577	1.4
134.39374	0.7
149.04552	0.9
149.34358	0.6
151.34515	0.7
159.03020	0.9
161.04533	5.2
169.95221	0.6
176.04605	0.8
179.05667	1.3
213.15042	2.7
221.06659	3.9
231.16013	39.5
232.04826	1.0
243.07755	0.9
247.07224	21.9
249.13412	1.1
259.07413	1.1
263.07556	0.7
278.73230	0.7
333.11032	7.4
333.19305	4.6
375.20480	3.0
393.13870	21.4
393.21518	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88938	0.7
59.01382	59.2
59.61995	0.6
62.49818	0.7
63.69273	0.9
66.34805	0.7
67.10152	0.7
70.41125	0.7
71.01379	16.1
71.65106	0.8
73.02934	4.0
79.21938	0.8
83.01381	1.3
85.02950	5.6
89.02432	11.7
90.55121	0.9
95.01371	1.1
101.02447	15.6
113.02437	9.5
119.03463	3.7
123.31464	0.8
140.20306	0.7
143.00835	0.8
143.93854	1.0
147.04622	0.7
217.85582	0.8
298.70718	0.9
314.19586	0.9
393.21326	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	9.4
59.87812	1.4
60.26304	1.2
60.60604	1.3
67.50011	1.2
75.71346	1.4
84.19359	1.3
91.20520	1.4
92.23150	1.4
127.07629	2.3
127.11285	2.7
155.10789	1.6
171.10277	6.6
181.08514	2.6
183.10014	14.2
183.13890	2.3
193.08475	27.1
195.10042	8.6
199.09787	2.1
201.11336	72.8
201.13222	2.7
222.08771	8.3
223.09525	42.3
223.12947	2.0
239.30386	1.6
241.09373	17.1
263.12665	7.1
275.20197	6.0
278.11292	2.1
293.21249	3.3
297.18591	1.9
311.22330	42.5
315.19556	2.9
333.20517	100.0
377.19620	2.0
393.22183	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	393.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26304	1.9
55.30067	2.2
59.01403	22.2
75.94022	2.4
81.82790	2.5
94.57481	2.2
96.95994	5.2
126.47521	2.3
139.11292	45.7
171.08868	4.3
171.10271	86.3
179.10568	3.2
181.23732	2.8
183.10307	3.9
185.11855	12.5
193.08505	5.4
199.13393	3.5
201.11392	20.0
207.10060	36.9
233.11649	3.4
247.20691	3.9
267.10944	5.1
275.20181	6.2
293.21268	15.2
298.53647	2.9
311.22330	100.0
315.19391	22.9
333.20523	63.9
377.19516	5.1
393.22684	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	393.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33077	2.2
56.54136	2.1
59.01382	28.6
68.13866	2.4
69.64115	2.6
75.68358	2.3
75.88380	2.3
111.47855	2.9
113.09689	3.3
115.07594	4.2
125.09736	3.9
129.09235	4.0
131.21574	2.5
134.45802	2.9
137.49313	2.8
139.11276	12.9
147.11765	3.1
149.09637	2.7
155.10808	5.5
165.12944	3.6
169.12308	3.9
171.10268	15.2
175.03563	2.8
175.96223	2.5
181.12369	12.2
183.13802	3.0
193.08464	3.9
193.12392	4.8
197.11784	20.1
199.13406	6.4
203.15233	3.2
203.61185	2.9
209.11978	3.1
211.13434	28.7
215.10570	13.2
221.08548	4.5
225.18651	3.0
233.11562	83.7
249.13356	4.3
293.12631	8.7
293.21255	25.5
311.22321	100.0
333.20386	22.0
339.21780	10.9
348.09464	2.9
351.43845	3.3
380.77679	2.7
393.22665	94.0
398.33392	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	393.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04726	0.3
59.01382	100.0
71.01377	1.4
73.02921	0.5
83.01383	0.4
85.02962	1.5
91.61301	0.3
95.88672	0.4
96.96008	1.6
101.02422	3.1
110.09580	0.3
113.02477	1.4
116.20497	0.3
122.86541	0.4
130.02232	0.3
161.04515	0.8
228.44626	0.4
287.70633	0.4
326.37491	0.4
333.22879	7.8
387.21774	0.4
393.19843	0.5
393.24982	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64404	0.6
59.01384	100.0
61.98830	5.3
63.43292	0.6
64.34774	0.7
71.01387	1.7
85.02937	1.1
88.81793	0.7
90.39942	0.6
95.01324	0.7
101.02390	1.2
112.50204	0.7
113.02410	0.8
141.78265	0.7
161.04630	1.2
199.94035	0.7
240.69028	0.8
256.32462	0.7
333.22861	6.1
351.64532	0.8
393.24292	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	393.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13055	74.2
59.01356	79.0
61.13460	80.4
62.45694	68.7
73.28091	90.1
99.29330	93.2
171.98927	84.9
244.40112	95.9
304.96048	98.2
310.51407	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40383	0.7
58.02988	5.8
59.01371	1.3
60.17585	0.8
61.96816	0.7
66.83452	0.8
67.01949	0.8
71.16148	0.7
89.54553	0.7
150.10829	0.8
165.12831	4.8
180.13895	3.6
181.12311	1.3
198.15036	9.7
202.75972	0.7
207.17480	1.0
222.18695	1.8
223.16887	1.0
240.19679	4.0
257.15512	1.8
293.26288	1.1
294.27966	1.9
306.28027	3.3
347.30655	21.4
348.28854	1.5
350.21246	0.9
357.29153	1.2
358.27374	1.6
375.30124	9.5
376.28479	3.1
393.23001	4.5
393.31277	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
64.97021	0.5
79.95731	21.7
79.96178	1.0
80.96513	2.2
84.41628	0.4
96.95996	5.5
125.09734	3.3
127.11246	1.0
128.00858	0.5
143.10777	4.0
172.79391	0.5
179.07478	1.2
179.57477	0.6
186.11351	12.1
207.06975	100.0
208.93494	0.5
231.54546	0.5
250.07570	3.1
319.39554	0.6
394.22665	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	394.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94371	0.5
58.17822	0.6
61.98830	1.5
96.96003	95.9
100.05394	0.6
122.30855	0.7
394.22705	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.227
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	0.6
71.00368	0.5
72.10368	0.6
72.47688	0.5
96.96004	96.9
140.87436	0.7
176.04924	0.6
236.70865	0.7
241.87370	0.6
253.67308	0.6
297.95486	0.7
348.09619	0.6
394.22714	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	394.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68771	65.1
54.88920	77.2
68.34042	90.2
73.94936	79.3
99.83580	87.0
366.64627	95.9
395.31430	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96273	4.4
55.24343	4.4
55.34269	4.0
57.03449	78.9
58.93461	5.0
59.01373	47.1
65.42521	4.1
69.60928	4.2
71.01387	6.3
73.02938	6.6
74.02457	44.2
74.32177	4.7
77.78936	4.3
78.95916	18.6
85.02938	6.7
86.02454	7.3
87.00887	6.4
89.02435	5.6
97.06573	4.5
99.02006	61.2
99.04505	100.0
100.00403	7.9
101.02442	47.7
106.94670	5.3
110.98518	29.5
116.03520	12.1
125.02433	30.5
128.03514	54.8
129.01917	38.1
138.03217	24.5
141.03049	6.4
141.05582	5.0
147.02977	7.9
153.03018	12.2
153.05556	21.1
161.04538	91.8
164.05634	81.9
182.02266	37.0
184.61136	5.8
188.74179	5.2
189.05254	21.0
197.04588	86.0
206.06694	6.6
207.06250	54.5
283.08643	11.3
308.09897	10.7
311.94254	5.8
334.07813	5.4
335.05899	6.0
351.10364	6.9
359.09946	37.4
395.09509	89.7
395.15295	8.3
405.30298	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
59.01368	2.8
96.53934	0.5
105.03470	0.5
147.04549	4.6
149.02419	2.7
190.02771	0.9
191.03514	100.0
205.05132	0.6
233.04530	2.1
328.45941	0.5
344.86688	0.6
391.25659	0.7
392.31912	0.6
395.09872	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	395.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92318	0.7
56.59048	0.7
59.01405	0.8
78.00251	0.7
83.06895	0.7
84.93890	1.4
91.44755	0.7
99.92577	46.0
100.93351	15.2
115.92068	26.7
116.92852	96.7
155.14391	9.2
157.55200	0.8
277.21704	11.3
316.94427	0.9
347.13089	1.7
363.13184	1.0
377.14365	5.1
395.15369	100.0
408.31845	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1531
Annotation	Mirabegron
Peak:m/z	Relative Intensity
57.18743	0.8
59.01382	4.3
61.98829	4.3
64.91077	1.0
71.33469	0.9
75.51265	0.9
78.95883	1.5
84.93867	3.9
85.53101	0.9
99.92576	48.0
100.93349	18.5
114.21500	1.0
115.92075	36.4
116.92854	100.0
152.99541	4.2
166.11882	1.3
184.53206	1.2
230.99603	1.4
284.64447	1.1
305.04752	1.2
320.07202	8.1
335.17105	1.3
377.14255	16.3
395.15329	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	395.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.5
57.03448	1.4
59.01099	1.0
59.01380	20.8
59.44935	0.5
71.01376	23.8
73.02547	0.9
73.02938	19.8
75.00874	0.6
78.18116	0.5
83.01386	8.8
85.02940	16.2
86.00090	0.5
87.00855	2.5
89.02438	6.2
95.01378	2.5
97.02924	0.6
99.00867	5.8
101.02438	47.1
101.09708	0.7
113.02442	17.1
125.02423	0.7
129.01906	1.4
136.75941	0.6
143.03424	1.0
159.02975	1.4
160.97702	0.5
161.04556	6.8
168.48836	0.6
171.97064	0.6
176.10716	0.7
186.50020	0.6
233.06645	0.9
236.06636	0.6
263.14990	32.9
375.46313	0.6
395.19232	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.5
57.03448	1.4
59.01099	1.0
59.01380	20.8
59.44935	0.5
71.01376	23.8
73.02547	0.9
73.02938	19.8
75.00874	0.6
78.18116	0.5
83.01386	8.8
85.02940	16.2
86.00090	0.5
87.00855	2.5
89.02438	6.2
95.01378	2.5
97.02924	0.6
99.00867	5.8
101.02438	47.1
101.09708	0.7
113.02442	17.1
125.02423	0.7
129.01906	1.4
136.75941	0.6
143.03424	1.0
159.02975	1.4
160.97702	0.5
161.04556	6.8
168.48836	0.6
171.97064	0.6
176.10716	0.7
186.50020	0.6
233.06645	0.9
236.06636	0.6
263.14990	32.9
375.46313	0.6
395.19232	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.221
Annotation	(9S,10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate
Peak:m/z	Relative Intensity
50.85383	0.7
59.01388	1.8
61.98807	0.8
63.38120	0.7
68.40227	0.7
71.08260	0.8
78.95888	7.9
85.20912	0.8
87.04529	0.9
90.85592	0.7
91.37483	0.8
102.53473	0.7
110.98506	7.2
116.07833	0.7
152.99641	1.2
167.01122	9.7
185.02245	1.3
201.11334	0.8
227.20174	100.0
307.22949	1.2
308.32303	0.8
395.16803	1.3
395.22086	36.0
395.27975	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	395.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36058	0.8
59.44263	0.7
67.84207	0.6
77.74980	0.8
78.95898	43.8
87.23507	0.8
90.99754	0.7
96.96951	4.4
99.07092	0.9
116.47031	0.7
152.99582	100.0
171.00621	1.8
174.95668	0.9
212.35509	0.7
241.21733	5.4
395.22067	41.9
395.27994	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	395.226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80851	2.1
54.92900	2.1
55.65358	1.9
60.77455	1.9
70.73328	2.0
79.41592	2.3
93.56611	2.0
100.93357	53.3
115.92062	100.0
135.20807	2.6
145.02170	2.1
153.28131	2.1
163.39383	2.1
395.22495	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	395.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80760	3.7
52.04059	4.4
52.97718	4.6
59.01384	9.2
61.98828	40.1
78.95894	46.5
83.25674	4.6
96.11274	4.8
96.48905	4.4
116.92834	8.6
120.15751	5.3
152.99594	100.0
205.45068	4.9
208.42035	4.8
226.88440	5.5
296.07358	6.0
351.28851	7.0
377.27234	7.1
395.22186	38.2
395.28262	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	395.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02727	2.0
59.01376	3.4
85.52193	1.9
88.93278	1.9
96.32455	2.1
110.50595	2.2
115.82246	2.3
125.09717	3.1
155.10805	4.7
165.09174	2.8
171.10251	9.1
181.08525	3.1
183.09932	20.8
193.08459	31.6
195.10034	10.5
199.09775	3.5
201.11353	96.1
222.08765	3.3
223.09540	69.6
241.09323	27.0
277.21756	12.2
295.22787	4.6
313.23920	69.6
317.21057	20.7
335.22086	100.0
379.21478	2.5
395.23343	28.2
395.28381	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	395.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71699	0.9
59.01382	91.6
64.68138	0.7
70.84870	0.8
85.02949	1.1
87.04503	3.6
121.82878	0.9
124.67687	0.9
135.06625	21.6
160.23906	0.9
177.07669	2.0
205.16045	1.4
242.36101	0.9
259.16937	1.1
277.18088	29.1
374.40048	1.2
395.24399	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30628	3.2
58.64558	3.0
73.11181	3.8
74.92643	4.2
80.51558	4.7
89.08900	3.7
94.34733	4.3
116.92818	5.4
133.64323	4.1
143.05092	4.5
147.18854	3.9
149.30579	3.7
153.12860	35.5
197.11859	45.1
215.12914	100.0
297.24283	7.3
317.47031	4.8
395.15121	6.2
395.21301	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	396.115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44725	0.6
58.21070	0.6
59.01374	0.8
65.64306	0.6
67.02876	0.6
70.99419	0.6
71.01387	2.6
73.02938	3.1
75.20054	0.6
89.02440	19.6
99.70084	0.6
103.03970	0.8
108.05666	1.2
109.92979	0.6
114.05657	0.9
125.90799	0.6
128.03517	0.9
128.07199	0.9
129.01999	0.8
130.08734	3.7
131.03525	6.8
148.04395	1.3
149.04552	100.0
152.04573	1.3
179.37413	0.7
203.17093	0.6
245.03998	0.7
251.94418	0.7
415.31937	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11081	0.3
59.01377	0.5
62.97145	0.3
71.01380	1.6
73.02962	1.8
82.11870	0.3
87.00864	0.4
89.02435	15.6
103.04001	1.5
131.03514	7.1
149.04550	100.0
165.37196	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1164
Annotation	GlcAbeta1-3GlcNAcbeta
Peak:m/z	Relative Intensity
56.02040	1.1
91.03000	2.0
99.91954	2.8
99.92583	51.3
100.93365	2.1
113.43412	1.5
115.92062	7.2
116.92831	11.8
118.89969	82.6
119.90771	2.9
134.89465	6.8
135.90256	22.1
156.59857	1.5
172.63261	1.4
186.41708	1.3
277.21741	18.4
293.84845	1.5
296.68668	1.5
323.41397	1.4
360.14008	6.8
396.11679	100.0
396.26526	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	396.127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79649	0.6
53.38704	0.7
55.07846	0.7
57.03445	0.8
58.02988	0.8
59.01377	1.5
64.95254	14.1
70.02968	3.4
71.01360	1.4
71.05015	4.6
74.00698	19.9
87.05633	1.9
89.01819	0.8
101.02454	1.1
111.05642	0.9
116.07179	1.2
117.99675	1.8
128.01762	22.5
129.05615	0.8
130.03314	9.0
145.04417	3.9
146.08231	100.0
147.05972	1.4
148.84476	0.8
162.00540	1.1
216.97733	0.9
217.11894	16.7
225.09312	0.8
243.13533	1.4
275.10770	31.5
277.09348	1.4
277.12289	25.4
309.09589	15.2
396.12680	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	396.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81842	3.2
72.76031	3.3
125.87310	100.0
157.86264	29.3
251.19609	3.8
271.22928	4.7
289.96951	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	396.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99455	0.5
59.01382	100.0
61.98830	2.8
71.43482	0.6
74.79122	0.6
94.06802	0.8
100.98962	0.6
102.78135	0.7
109.68832	0.7
130.09456	0.7
153.38867	0.7
181.27551	0.8
213.85748	0.7
322.90344	0.9
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
55.68666	0.5
59.01383	100.0
62.45649	0.5
68.61588	0.5
74.03595	0.6
140.51355	0.6
201.11371	0.6
202.11629	1.1
223.09572	0.9
234.99907	0.6
314.24255	0.8
320.12378	0.6
336.22214	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61971	38.4
56.29665	34.6
125.01244	49.7
130.28171	43.0
133.38010	47.1
230.16302	44.7
396.26700	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1142
Annotation	5-O-sinapoylquinic acid
Peak:m/z	Relative Intensity
56.66039	0.5
57.03440	1.4
59.01099	1.2
59.01382	22.0
68.99789	1.1
69.03436	0.8
71.01376	15.1
72.99290	3.8
73.02940	3.6
74.51958	0.6
75.00863	14.8
78.27174	0.6
83.01373	0.9
85.02475	1.1
85.02947	19.0
87.00857	4.2
89.02432	5.5
95.01396	6.4
99.00883	9.6
101.02437	7.4
102.02795	2.7
103.00351	2.8
113.02441	16.9
114.05569	0.8
115.00355	2.7
117.01919	3.7
129.01929	2.6
141.25124	0.7
144.71353	0.7
147.04515	81.4
193.05159	1.4
231.05048	3.0
249.06168	27.2
259.14828	0.7
261.08386	0.8
263.15079	1.0
264.15421	1.0
265.15515	1.2
315.77063	0.6
379.10236	1.0
397.11417	100.0
397.19263	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	397.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
61.61824	10.8
64.54462	13.1
79.00233	12.2
80.67033	10.7
114.05571	40.4
132.54993	14.3
134.03754	76.8
149.06073	48.7
193.05089	64.8
239.45207	13.0
254.54596	13.7
397.12845	100.0
397.20578	14.1
397.24927	19.0
401.42230	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	397.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04973	0.9
59.01104	1.9
59.01383	44.8
59.01677	1.8
62.11999	1.0
62.37391	1.0
69.03458	1.5
71.01371	32.0
73.02938	8.7
81.03483	1.3
83.01385	2.3
85.02943	6.4
87.00866	4.5
89.02438	27.1
89.14151	1.0
92.55988	1.0
95.01376	1.8
97.02956	7.1
99.00874	1.6
101.02442	28.9
111.04527	1.4
113.02441	12.0
119.03475	5.7
125.02437	7.8
133.05051	1.5
143.03473	4.3
154.53624	1.1
161.04547	5.8
179.05640	1.4
218.66026	1.0
221.06624	1.8
235.08208	8.5
269.45541	1.1
332.82123	1.2
395.22519	1.0
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	397.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38462	0.9
55.01861	0.8
56.84887	1.0
59.01382	54.1
69.03446	0.9
70.20444	0.9
71.01378	31.0
71.01736	1.9
73.02936	9.8
74.84824	0.8
83.01374	5.3
85.02962	7.6
85.54052	0.9
87.00871	6.7
89.02442	29.7
95.01375	2.0
97.02953	8.3
99.00871	1.6
101.02443	30.2
111.04516	2.2
113.02441	11.4
119.03492	7.0
125.02422	10.8
133.05069	1.6
139.04048	1.3
143.03427	1.9
161.04575	5.2
221.06676	1.3
228.25867	1.0
235.08202	12.0
277.09134	1.7
397.13535	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	397.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64031	1.1
59.01379	51.5
61.34186	1.0
69.03458	2.3
71.01379	33.0
73.02942	8.6
73.34119	1.1
83.01385	5.3
85.02943	7.2
87.00869	6.4
89.02435	32.4
91.04011	1.2
96.96014	2.6
97.02937	6.8
101.02435	33.0
111.04483	1.5
113.02467	12.6
119.03484	7.7
123.34587	1.2
124.52709	1.3
125.02431	8.4
133.05081	2.1
140.27081	1.2
143.03432	2.1
161.04562	2.7
171.70242	1.6
174.50671	1.5
179.05559	1.7
184.95161	1.4
188.62674	1.4
193.58496	1.5
221.06618	1.9
235.08220	7.8
240.52046	1.3
259.84656	1.3
305.08734	1.9
397.13535	100.0
397.22455	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	397.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26651	0.9
60.63527	1.2
73.08630	1.0
84.93872	4.0
99.92577	42.1
100.93357	20.4
115.92062	43.3
116.92845	91.0
128.55476	0.9
169.12332	2.2
183.13905	1.5
216.98119	2.5
227.12946	1.3
280.04254	11.9
297.24524	1.4
375.12198	1.6
379.15802	16.5
393.13928	3.8
397.16925	100.0
411.15009	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	397.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32737	1.6
59.01384	43.3
68.02529	4.2
77.02020	1.9
92.22392	2.1
96.05640	2.0
98.97615	1.9
108.66732	2.0
118.05086	13.3
118.70855	2.3
126.06722	12.4
133.05196	22.1
134.86957	2.4
145.14455	2.1
147.06789	18.0
151.11282	4.1
171.10387	2.4
202.13544	2.8
208.13434	10.4
230.16785	2.8
231.16208	5.0
236.16599	11.3
246.16394	2.6
249.15877	2.4
270.97354	2.6
273.17227	81.5
274.15570	2.2
279.17847	2.9
285.17322	3.2
290.17484	13.5
303.18097	3.1
305.16531	4.7
305.19879	90.5
307.08118	3.6
308.08530	2.6
311.20004	4.8
317.19785	8.7
323.11215	2.8
335.20926	100.0
336.47852	2.2
337.12491	3.5
353.21811	8.2
397.20804	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	397.2269
Annotation	His Leu Gln
Peak:m/z	Relative Intensity
73.92425	0.3
76.78794	0.4
79.95736	2.2
86.06618	0.3
86.34850	0.4
96.96003	41.8
122.97575	4.4
192.10045	0.4
224.29239	0.5
244.73187	0.4
261.30008	0.5
376.18887	0.4
394.13293	0.4
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	397.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52116	68.3
95.43694	82.6
96.26466	82.6
101.52108	71.5
104.66098	73.7
109.52293	79.5
267.71970	100.0
351.75677	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	397.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
65.83354	54.1
67.71817	50.8
69.51460	55.6
72.78473	59.7
88.02257	62.8
150.83971	58.7
152.56842	59.8
216.76485	80.5
233.97003	58.2
242.49939	64.6
358.23355	71.7
360.24622	63.0
397.13608	100.0
397.29938	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	398.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45724	3.0
52.57465	3.4
54.24703	2.9
59.01380	100.0
59.58981	3.2
60.77417	3.3
61.03870	3.1
67.01792	3.7
67.32939	4.0
76.03809	3.6
87.12679	3.5
89.72268	3.4
92.23082	3.5
101.00785	3.3
103.02734	3.3
103.06904	3.7
147.95818	3.8
182.65979	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	398.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10959	0.5
59.01382	100.0
88.99166	0.6
89.02400	0.6
90.59686	0.5
95.43906	0.6
117.18340	0.6
121.24535	0.6
126.42387	0.6
144.32779	0.7
144.46152	0.6
156.53490	0.6
176.10475	0.8
206.35010	0.6
291.46826	0.7
320.25757	0.8
398.13992	4.5
398.23608	1.1
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
57.81091	1.6
59.01384	100.0
59.01688	3.5
62.20544	1.4
73.60646	1.4
75.14693	1.5
78.50133	1.6
82.07430	1.4
85.61437	1.6
92.22435	1.7
147.76215	2.0
180.53772	2.1
309.99695	1.8
320.25821	2.7
338.27081	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	398.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44610	0.6
52.42060	0.7
59.01381	100.0
63.48674	0.8
66.37389	0.7
75.27611	0.8
139.63858	0.8
162.20825	0.8
187.18021	0.8
214.14442	3.3
220.79234	0.8
275.43732	0.8
293.24246	0.8
320.25943	4.7
338.27042	5.3
409.85727	0.8
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
55.87347	0.8
59.01383	100.0
79.49010	0.9
85.52383	1.0
86.12385	1.0
91.91521	1.0
119.39591	0.8
125.09716	1.0
158.07037	0.9
214.14537	1.9
233.42276	0.9
307.31906	1.0
320.26108	3.4
338.26904	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	399.1297
Annotation	Zuclopenthixol
Peak:m/z	Relative Intensity
57.03445	2.6
59.01379	28.0
63.91092	1.3
71.01377	41.3
73.02944	18.3
83.01378	6.7
85.02946	27.5
89.02414	3.3
93.03470	1.8
95.01390	3.1
99.00870	3.6
101.02438	61.3
113.02439	30.3
119.03465	1.8
121.02950	12.6
125.27435	1.4
147.51422	1.4
151.54651	1.4
159.02989	5.9
161.04550	17.8
174.40273	1.8
215.87213	1.4
251.11372	100.0
270.23740	1.7
290.23587	1.6
358.58563	1.6
399.12994	60.6
399.17938	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	399.1299
Annotation	Zuclopenthixol
Peak:m/z	Relative Intensity
51.63000	0.5
52.30541	0.6
55.01860	0.4
56.12039	0.5
57.03433	0.7
59.01384	10.4
71.01371	4.1
73.02932	1.0
76.33578	0.5
77.69815	0.5
83.01393	1.0
85.02953	4.4
89.26286	0.5
101.02423	6.4
110.05015	0.6
113.02439	2.9
119.96817	0.5
121.02959	0.9
123.04510	0.6
129.01903	0.7
129.29590	0.7
130.08698	1.0
134.03711	0.6
135.04507	3.0
136.05293	2.4
137.02368	0.7
140.51884	0.5
147.00891	2.4
149.02473	4.7
151.03989	0.7
151.07616	1.3
152.01155	2.5
163.04028	3.8
164.04790	8.7
167.03348	0.8
175.00354	8.8
177.05431	0.7
179.07144	0.7
185.96994	0.6
190.02730	64.6
192.06511	0.7
193.01236	0.7
193.05232	0.8
193.07188	1.0
195.06651	25.5
205.05070	76.7
207.03001	2.4
208.03754	2.6
209.04585	3.5
223.06207	4.1
339.24850	1.4
341.56723	0.6
363.16629	8.9
369.08307	10.9
380.32684	0.6
384.10641	4.4
399.13010	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1303
Annotation	Zuclopenthixol
Peak:m/z	Relative Intensity
55.01859	1.4
57.03423	1.3
59.01383	34.3
64.30550	1.2
67.43436	1.2
69.52332	1.2
71.01379	48.0
72.81805	1.3
73.02937	15.4
74.02432	1.2
83.01375	7.9
85.02942	21.9
89.02431	21.2
94.04147	2.0
96.05685	2.4
99.00875	15.2
101.01768	2.6
101.02435	58.3
113.02435	31.2
116.03523	2.3
118.05093	16.8
119.03510	7.5
121.02946	19.4
129.02043	1.4
129.10371	2.0
131.34874	1.5
152.99580	9.6
159.03012	5.9
161.04539	20.4
171.10272	51.7
175.08401	6.4
185.11891	3.3
198.95422	1.5
205.12396	1.7
223.13390	25.8
251.11375	100.0
270.20010	1.5
295.11118	1.7
298.17651	8.1
399.13339	77.6
399.22226	26.4
399.26224	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	399.1301
Annotation	Zuclopenthixol
Peak:m/z	Relative Intensity
55.01873	1.1
59.01106	1.0
59.01383	22.4
71.01379	38.1
73.02935	14.4
74.02456	0.9
74.03603	2.1
75.00954	0.8
83.01382	4.2
85.02949	16.3
89.02451	12.5
95.01368	2.1
99.00880	9.3
101.02441	35.3
113.02437	24.4
118.05101	7.7
119.03493	5.7
125.02435	1.0
152.99582	1.4
159.02953	3.6
161.04539	19.3
171.10298	13.4
175.08348	7.6
182.82338	0.9
195.13913	3.5
205.12308	1.5
221.12958	1.4
223.13382	19.5
251.11385	100.0
280.15558	1.2
399.13443	11.0
399.17593	1.1
399.22714	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	399.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43406	0.7
56.98031	1.1
59.01372	5.2
63.96238	3.3
71.01385	3.2
72.99312	1.8
73.98320	1.2
74.99091	100.0
85.02956	1.1
87.00865	1.9
89.02446	3.5
96.96006	0.9
101.02467	1.5
117.97294	3.4
122.31056	0.7
135.98360	10.7
136.99147	86.8
157.75459	0.8
162.99426	0.8
163.04045	1.4
165.05536	1.4
171.10104	0.9
237.65619	0.8
262.37598	0.8
265.96686	1.3
353.14520	3.3
399.13327	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	399.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36972	1.2
59.01383	100.0
59.65882	1.2
64.76367	1.2
73.02912	1.3
74.18114	1.2
75.18296	1.2
76.12378	1.3
84.76660	1.3
87.00875	2.4
89.02448	6.0
89.31867	1.2
96.92994	1.1
121.74218	1.4
131.03505	2.2
149.04549	41.0
149.05653	2.4
161.09731	1.4
161.13367	2.3
172.36487	1.4
184.04077	1.4
207.10352	2.3
223.13412	36.2
267.12415	31.3
399.16638	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	399.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85010	0.2
59.01382	100.0
71.01377	0.3
81.32996	0.2
85.02921	0.3
102.19656	0.2
115.08679	0.3
120.81377	0.3
125.34193	0.3
130.08763	0.4
130.14403	0.2
152.01251	0.3
212.12675	0.2
399.16800	1.1
399.26080	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29255	0.6
58.59957	0.7
59.01379	76.9
71.01378	1.4
71.05027	0.8
73.02928	1.6
80.84637	0.8
87.00854	3.1
89.02438	14.9
98.75224	0.8
103.04020	1.2
129.82256	0.9
131.03481	7.1
149.04553	100.0
161.13327	1.5
163.11284	1.6
176.06171	0.9
192.76895	0.8
207.10287	1.6
223.13405	45.0
224.27386	0.8
227.86737	1.1
267.12390	13.4
299.92484	1.1
399.16663	47.6
399.21704	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	399.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92428	0.7
53.24819	0.7
54.60020	0.6
55.97911	0.5
58.02980	7.6
59.01384	5.2
60.80197	0.5
66.96044	0.7
71.01369	1.4
74.02475	0.7
79.67524	0.7
85.02894	0.7
85.07431	0.7
87.05626	2.8
112.08781	2.6
114.05569	2.5
115.92048	0.7
116.92831	0.7
129.06702	1.5
129.24294	0.7
131.08257	63.9
147.45865	0.8
152.22998	0.7
155.11949	1.4
156.07829	6.2
157.13527	0.7
161.04472	0.7
166.08736	12.0
168.41071	0.7
169.82617	0.7
171.07741	1.3
173.09021	1.2
173.10411	24.2
177.99478	0.7
183.11263	2.3
195.02991	5.4
200.14047	3.1
200.17670	8.7
202.60463	0.7
205.05034	1.5
224.14003	0.9
236.17659	1.0
244.16628	1.5
254.18820	0.9
271.21408	42.0
296.20923	5.4
313.23526	7.8
339.20328	1.1
357.21503	7.4
399.13113	3.4
399.19107	4.3
399.23618	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.239
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54847	0.9
59.01381	100.0
61.98825	1.9
73.61675	1.0
80.13237	0.9
84.77167	1.0
104.00911	1.0
108.14186	1.1
126.02795	1.1
151.24271	1.0
399.13391	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	oscr#27
Peak:m/z	Relative Intensity
51.69593	92.9
54.54672	66.8
77.46679	100.0
104.07457	95.2
129.63670	89.7
155.50368	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	399.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06166	1.0
52.52638	1.1
57.09377	1.1
59.01384	100.0
78.14443	1.2
91.49400	1.2
92.66725	1.3
102.53002	1.3
189.05260	1.5
198.13702	1.2
281.73471	1.6
342.46735	1.3
377.78720	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	399.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97801	0.3
63.21655	0.3
64.44296	0.3
90.45880	0.3
95.77327	0.3
111.08161	0.4
120.87626	0.4
142.12372	0.7
147.42729	0.4
167.14409	13.1
170.11890	0.8
172.09805	2.3
184.17084	0.5
187.64751	0.3
210.15038	2.6
211.13405	25.6
228.16043	100.0
229.14418	9.8
238.66783	0.4
381.27618	2.1
399.05414	0.4
399.28638	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	399.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05688	0.4
59.01382	0.6
81.62538	0.5
97.06563	0.9
100.43776	0.5
103.93665	0.4
114.71603	0.5
121.13045	0.5
123.08177	0.6
125.09715	30.8
131.13480	0.5
140.80659	0.4
142.12404	1.1
153.12830	3.1
186.11354	100.0
197.11856	5.0
214.14485	18.4
215.12976	0.6
268.02197	0.5
381.27859	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02348	0.9
57.01522	0.8
57.17646	0.9
59.01385	100.0
61.98839	11.0
63.80434	1.0
103.16245	1.1
129.67316	1.0
141.12827	1.3
159.44559	1.1
184.47159	1.1
242.25591	1.1
278.82401	1.2
293.69284	1.2
322.27579	1.5
340.28656	18.9
383.93115	1.1
392.54120	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	400.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
62.26449	0.6
90.06219	0.7
95.76060	0.8
208.96558	0.9
213.13248	0.8
400.22574	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03207	0.8
58.53419	0.7
59.01377	4.1
61.09472	0.7
62.45041	0.6
63.85271	0.8
64.59702	0.8
67.58788	0.7
71.01389	1.5
73.02938	0.7
79.10096	0.6
85.67058	0.7
86.46497	0.8
95.01384	1.4
95.73306	0.8
123.00875	14.6
134.03751	4.3
137.06076	0.9
138.03229	61.5
142.32425	0.8
149.06041	6.2
153.05576	35.3
166.99799	6.5
178.02745	1.4
182.02222	66.5
182.05820	4.4
193.05095	9.9
197.04568	100.0
197.08257	7.1
237.04050	0.9
239.05629	3.6
341.11160	1.1
354.72910	1.1
401.10931	18.5
420.13531	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49062	1.1
59.01373	9.3
66.78504	1.3
71.01372	6.3
83.38834	1.7
89.02438	6.6
105.49429	1.4
109.92052	1.6
123.00859	12.9
128.03552	1.9
134.03735	7.6
138.03223	66.5
149.06078	9.6
153.05580	39.2
166.99843	6.2
180.26303	1.3
182.02229	66.3
182.05849	6.8
193.05074	14.8
197.04562	100.0
197.08257	6.8
237.04086	1.8
267.18256	3.5
341.10980	2.5
357.08231	1.8
401.11053	19.6
401.20886	11.2
409.70749	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	401.1454
Annotation	benzyl acuminose
Peak:m/z	Relative Intensity
51.16598	0.9
54.40271	0.7
59.01381	100.0
71.01371	3.6
74.90047	0.9
81.14842	1.0
85.02939	3.7
88.04021	5.6
89.02430	2.4
93.03456	9.7
95.01410	0.9
101.02477	1.5
113.02450	4.3
127.05141	2.1
128.03525	2.3
130.08734	7.7
131.04982	1.0
132.05856	1.0
137.02444	36.0
141.15292	1.0
146.03726	23.8
149.06068	17.3
161.04788	1.3
161.06055	11.3
164.04790	18.2
167.03447	3.4
177.05585	4.4
179.07135	76.4
182.02260	1.4
197.04565	1.3
198.08884	4.9
214.15637	2.1
263.07825	4.2
341.11176	2.0
401.10934	24.4
401.20422	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	401.1456
Annotation	benzyl acuminose
Peak:m/z	Relative Intensity
55.01873	1.2
57.03448	0.9
59.01104	0.9
59.01378	16.4
61.98856	3.5
61.99102	0.5
71.01377	36.6
72.99304	0.6
73.02938	18.6
75.00857	0.8
76.47698	0.5
83.01372	6.2
85.02943	17.4
87.00890	1.1
89.02433	7.2
95.01382	2.8
95.29522	0.5
96.81260	0.5
97.02949	2.4
99.00871	8.2
101.02431	36.0
107.95949	0.4
113.02441	20.6
115.03991	2.1
125.02425	2.8
129.01958	0.9
131.03516	0.7
143.03522	1.0
159.02951	3.5
161.04547	12.8
233.06671	2.0
269.10312	28.0
271.88440	0.6
293.08762	1.1
301.13544	0.6
401.14536	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.5
61.48507	0.3
92.22533	0.4
121.02978	0.4
147.58226	0.3
194.08235	100.0
217.43367	0.3
320.60818	0.3
333.05591	0.3
338.17761	0.5
401.17218	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	401.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07121	1.0
56.10629	1.1
57.03446	6.0
59.01381	100.0
61.84472	1.2
62.49267	1.2
62.97660	1.4
71.01373	55.4
73.02934	2.4
75.00848	1.6
80.96527	12.3
81.03455	1.6
83.01401	2.3
85.02936	14.1
87.00857	5.7
88.04019	2.7
89.02438	57.4
89.02961	2.8
93.03448	5.7
94.98091	2.7
95.01405	1.4
97.02908	1.7
97.06581	1.3
99.00896	2.4
99.04500	11.5
101.02436	38.1
113.02440	27.3
119.03487	25.3
121.06590	1.8
124.04009	1.4
125.02451	1.4
130.08755	1.4
134.03743	5.3
137.02444	26.2
138.05617	1.6
139.07631	2.5
143.03484	2.3
149.04588	1.6
149.06081	6.8
151.03993	6.5
152.98630	3.0
161.04585	5.8
163.07649	9.9
164.98628	6.4
178.02705	2.7
179.05600	5.9
193.05054	11.2
221.11890	1.6
225.00822	10.9
249.06131	2.0
263.07803	1.7
276.23697	1.4
281.52429	1.7
343.13977	66.6
401.11108	69.5
401.18286	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	401.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07121	1.0
56.10629	1.1
57.03446	6.0
59.01381	100.0
61.84472	1.2
62.49267	1.2
62.97660	1.4
71.01373	55.4
73.02934	2.4
75.00848	1.6
80.96527	12.3
81.03455	1.6
83.01401	2.3
85.02936	14.1
87.00857	5.7
88.04019	2.7
89.02438	57.4
89.02961	2.8
93.03448	5.7
94.98091	2.7
95.01405	1.4
97.02908	1.7
97.06581	1.3
99.00896	2.4
99.04500	11.5
101.02436	38.1
113.02440	27.3
119.03487	25.3
121.06590	1.8
124.04009	1.4
125.02451	1.4
130.08755	1.4
134.03743	5.3
137.02444	26.2
138.05617	1.6
139.07631	2.5
143.03484	2.3
149.04588	1.6
149.06081	6.8
151.03993	6.5
152.98630	3.0
161.04585	5.8
163.07649	9.9
164.98628	6.4
178.02705	2.7
179.05600	5.9
193.05054	11.2
221.11890	1.6
225.00822	10.9
249.06131	2.0
263.07803	1.7
276.23697	1.4
281.52429	1.7
343.13977	66.6
401.11108	69.5
401.18286	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	401.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.6
56.64343	1.0
57.03448	2.7
59.01380	45.1
66.93040	0.9
71.01376	62.0
73.02938	24.0
79.45517	1.1
83.01382	6.5
85.02940	31.3
85.41940	1.0
87.00860	11.7
87.67523	1.0
89.02431	19.0
94.96239	1.0
95.01365	2.6
97.02939	1.2
99.00877	5.3
99.04517	6.9
101.02438	56.8
113.02455	36.0
119.03478	5.1
125.02438	2.5
129.01953	1.5
137.09827	1.2
143.03439	1.3
145.05043	7.3
159.02977	5.2
161.04556	39.5
165.09172	20.6
179.05579	2.6
179.10796	1.5
180.60553	1.1
181.08690	6.9
227.05626	1.4
235.08229	100.0
253.11548	1.3
401.18274	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	401.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.0
58.30118	0.6
59.01382	44.2
62.26052	0.7
64.32018	0.7
64.91862	0.7
67.15379	0.6
73.52860	0.6
73.96402	0.7
74.02443	1.1
83.05032	0.9
87.00874	4.4
88.31861	0.7
92.22507	1.3
94.17319	0.7
95.08619	0.7
97.04031	0.9
97.06611	0.8
109.06611	0.9
163.11330	0.8
165.12834	34.9
180.55928	0.7
181.12338	4.9
197.05658	1.0
202.34758	0.7
207.13918	11.9
209.11861	28.1
213.98792	0.8
225.14941	4.4
247.23366	0.7
251.12918	1.0
269.13962	69.9
317.51596	0.8
330.15753	0.8
381.03357	0.8
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	401.1819
Annotation	JWH 200 7-hydroxyindole metabolite
Peak:m/z	Relative Intensity
55.01879	1.0
57.03433	1.7
59.01106	1.3
59.01382	23.8
71.01377	20.7
73.02930	9.0
83.01386	4.9
85.02941	13.1
88.04042	1.0
89.02449	5.5
93.14599	0.6
95.01389	3.4
99.00860	3.0
101.02439	27.1
110.82138	0.6
113.02451	10.3
131.68756	0.6
161.04549	1.7
180.69066	0.6
195.13928	3.6
211.17212	0.8
221.07875	0.8
222.71774	0.8
357.18539	0.8
401.18201	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	401.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48421	1.1
51.93163	1.0
58.02977	5.8
59.01379	21.8
71.01376	14.3
73.02956	2.0
73.04065	6.3
73.17837	1.1
74.02084	2.2
74.02473	38.3
83.01351	2.6
85.02935	7.2
87.05631	45.2
88.04042	6.6
89.02438	9.9
92.23180	1.6
98.02489	1.6
101.02441	13.5
101.07240	1.6
110.02475	7.4
111.05620	2.7
112.04044	1.9
113.02455	3.0
114.01987	1.4
115.00353	3.1
116.07154	5.5
119.69942	1.3
124.53554	1.3
127.05148	2.0
129.06697	76.9
129.10374	1.5
130.08751	5.3
137.33598	1.5
143.08231	2.5
143.11899	10.0
144.07777	5.2
152.07169	2.7
158.09319	5.6
165.10367	2.1
166.08803	2.1
169.09822	14.2
183.11287	1.5
187.10861	18.0
200.14066	30.3
208.34637	1.8
221.07968	16.6
238.15636	3.4
239.09172	5.9
253.16830	2.6
267.18268	2.7
271.17828	22.7
285.19379	2.4
309.14603	2.9
320.55930	1.4
345.59998	1.5
357.17816	100.0
357.21066	3.6
383.19281	5.9
401.14026	7.6
401.20700	88.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2409
Annotation	Ala-Leu-Leu-Ser
Peak:m/z	Relative Intensity
57.49866	0.2
59.01369	0.5
61.98833	100.0
64.42453	0.2
71.01391	0.5
72.07894	0.3
73.04016	0.3
74.03609	0.4
77.09587	0.2
81.16455	0.3
89.02454	0.7
101.02459	0.3
110.04889	0.3
118.05127	1.6
121.85551	0.3
130.08745	0.6
152.07210	0.4
225.11232	0.4
264.13406	0.3
269.10321	0.3
309.14542	0.5
341.10895	1.2
353.88174	0.3
383.19351	0.4
401.14655	1.6
401.19684	0.4
401.24640	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.0
59.01378	1.3
63.46361	0.8
66.72281	0.7
69.37289	0.7
72.00917	1.5
84.02043	1.2
90.17475	0.9
96.06447	0.8
98.02469	7.2
99.00874	27.7
99.32983	1.0
116.03541	8.9
118.05095	39.7
183.12392	1.7
183.13898	20.8
191.15627	1.5
193.12367	1.7
195.13843	1.0
207.10396	1.1
208.13446	1.4
209.12987	1.3
210.15007	6.2
217.13503	5.2
225.11394	1.5
232.14566	1.8
235.14531	90.0
250.15630	3.6
251.41541	0.9
252.17191	11.4
268.16687	26.4
369.21429	100.0
401.19229	4.8
401.24014	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	401.241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.9
59.01374	1.8
71.01387	0.9
72.00912	1.6
72.10705	0.7
73.25858	0.7
75.89590	0.8
82.01396	0.7
82.44715	0.7
84.02034	3.3
89.02448	1.4
92.83151	0.7
98.02483	6.4
99.00875	34.0
116.03532	10.4
118.05096	39.1
120.94735	0.7
183.13914	18.5
193.12364	3.2
195.14088	0.8
208.13399	1.0
210.15051	7.2
217.13408	6.4
220.14371	0.8
232.14551	1.8
235.14523	90.3
250.15631	3.5
252.17221	12.1
256.47165	0.9
268.16666	29.4
341.10822	2.9
369.21466	100.0
378.57336	0.9
401.19382	1.3
401.24139	8.2
403.13376	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2547
Annotation	Erythronolide B
Peak:m/z	Relative Intensity
52.90237	0.4
59.01382	100.0
67.12056	0.5
71.39000	0.5
77.58308	0.5
81.60178	0.5
86.47105	0.5
89.53709	0.5
107.33357	0.4
112.75253	0.4
117.62312	0.4
125.86166	0.4
132.78209	0.5
133.05219	0.4
155.17912	0.5
210.82648	0.5
217.95450	0.5
345.30212	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2548
Annotation	Erythronolide B
Peak:m/z	Relative Intensity
50.37141	0.5
55.45340	0.5
59.01384	100.0
62.10108	0.6
104.95223	0.5
115.69579	0.6
125.09662	0.9
129.09236	0.6
186.72668	0.6
207.30583	0.5
209.11824	1.1
282.76132	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2547
Annotation	Erythronolide B
Peak:m/z	Relative Intensity
52.20731	0.7
54.48526	0.6
57.03453	0.9
59.01387	6.3
60.06427	0.7
61.35052	0.6
66.33651	0.7
71.01379	1.8
85.02939	6.2
89.02415	1.5
91.04001	17.9
97.02922	1.0
97.06595	3.9
102.42348	0.7
125.09720	1.5
125.15022	0.7
127.11252	1.0
137.09660	3.1
155.10780	1.5
167.14421	0.9
171.10258	22.0
177.12878	0.9
183.13902	6.7
185.11824	3.1
193.12300	1.3
193.38977	0.8
209.11832	1.8
211.13420	35.7
221.11864	4.6
229.14456	24.0
239.12914	4.1
291.19629	8.5
309.20758	15.0
327.21793	100.0
329.23227	3.8
358.20959	1.0
367.28464	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22133	1.0
58.60597	0.9
59.01382	100.0
68.06091	1.0
68.71836	1.0
92.23182	2.0
102.05608	63.0
109.72964	1.1
121.02959	4.2
135.04538	1.6
171.10234	1.5
227.12907	2.5
227.83421	1.2
238.21730	1.5
261.33780	1.1
266.65414	1.1
283.27521	2.6
313.07330	1.5
327.21872	8.1
341.28217	10.2
357.31268	1.6
401.08853	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	402.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
68.58165	0.6
74.51407	0.7
96.27208	0.6
104.87027	0.6
114.40749	0.7
126.21676	0.6
151.40013	0.7
161.21002	0.7
170.24994	0.8
174.29582	0.8
309.76978	0.8
342.30008	10.6
384.04166	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65003	1.0
55.88023	1.1
59.01384	100.0
78.95904	9.3
87.56758	1.1
96.96906	1.4
97.89251	1.0
111.47694	1.1
145.03139	1.1
152.15509	1.2
266.65656	1.2
342.30103	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	402.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40625	0.6
59.01382	100.0
59.96336	0.6
74.51842	0.7
78.95908	9.8
96.96952	1.8
138.04362	0.8
280.47116	0.9
342.30267	5.8
377.75720	0.9
402.24084	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	403.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81903	0.4
59.01382	0.8
60.16816	0.4
62.25768	0.4
62.31636	0.5
71.01385	0.5
74.02487	4.5
101.47842	0.5
108.76426	0.6
109.48622	0.5
118.05074	1.3
121.02917	1.0
122.03780	0.6
134.03735	31.5
135.08162	1.2
136.01675	2.5
137.02464	1.4
137.06120	0.7
139.03993	0.7
147.04532	0.8
148.19803	0.6
149.06070	18.2
150.03223	15.3
151.04008	6.2
165.05556	6.3
175.07184	3.7
178.02715	41.8
193.05063	100.0
206.61926	0.6
209.04582	4.3
211.13399	4.2
221.11890	1.1
223.13283	1.3
233.11740	2.6
235.13348	0.7
251.05714	0.6
251.12878	2.6
269.13779	0.8
285.85950	0.6
294.26379	0.6
335.48355	0.7
341.10443	1.0
359.75992	0.8
403.10324	9.6
403.16101	10.8
403.20844	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85629	0.5
55.62375	0.5
59.01377	1.2
62.95141	0.6
69.22047	0.6
70.73281	0.5
75.29746	0.6
105.70190	0.6
107.69433	0.5
115.81855	0.5
121.02950	3.6
122.03757	1.4
128.99655	0.6
133.02982	0.7
134.03745	33.5
135.08165	1.4
136.01631	3.4
137.02449	3.4
147.04547	1.0
148.05319	0.9
149.02504	1.1
149.06079	22.2
150.03223	32.8
151.03984	5.9
160.77531	0.6
165.05557	21.3
178.02722	43.3
180.69041	0.6
189.05608	1.0
193.05069	100.0
207.06482	0.8
209.04546	9.3
211.13353	2.4
223.13335	1.2
233.11754	1.3
251.05769	0.8
251.12843	1.1
267.06610	1.3
275.19510	0.6
311.05588	2.9
341.10300	3.4
359.17154	1.4
403.10342	12.9
403.16092	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	403.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62996	1.2
58.00264	1.2
62.55758	1.5
64.45669	1.2
72.47468	1.2
84.56348	1.3
89.03377	1.1
97.76355	1.3
122.06081	2.7
124.07693	1.5
127.98119	1.4
132.04517	8.1
150.05559	2.6
158.02461	2.8
160.04051	8.7
175.02803	2.3
175.81689	1.4
176.03520	7.6
176.07045	1.6
190.05110	18.1
191.05914	1.6
203.02205	1.8
211.12401	2.6
212.10854	1.8
215.11903	5.2
224.09505	15.5
226.07442	1.6
227.08255	5.8
239.11896	34.6
240.10510	10.0
241.09848	11.8
253.06157	16.9
254.06877	1.8
255.07753	6.6
255.11378	9.0
265.09848	2.8
267.07617	6.4
268.08389	13.1
281.09335	9.0
283.10889	64.1
309.08783	25.1
327.09927	29.7
341.54987	1.3
371.08862	77.4
403.11465	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.115
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29502	0.7
59.01381	7.1
71.01406	0.8
71.77353	0.8
73.38787	0.9
84.76991	0.9
85.08039	0.8
85.12750	0.8
90.77460	1.0
92.23094	1.2
95.88634	0.9
108.43082	1.0
117.23557	1.0
119.03629	0.8
122.06106	5.6
124.07670	1.1
129.76714	1.0
132.04547	7.9
147.03287	1.0
150.05661	1.5
158.02446	5.0
160.04030	9.5
161.04683	1.4
162.05589	3.9
174.05504	1.3
176.03571	10.3
176.07072	3.3
176.65317	1.0
184.07710	1.1
190.05127	22.8
191.05887	3.5
192.06674	1.2
211.12442	3.9
212.10785	2.1
215.11908	5.6
218.01248	0.9
218.30840	1.1
224.09538	13.8
227.08315	4.3
234.03940	1.1
239.11905	39.7
240.10629	8.6
241.09845	9.2
253.06212	19.5
254.07039	2.1
255.07744	2.1
255.11453	8.7
265.09796	4.4
266.08215	1.1
267.07928	7.6
268.08572	11.1
281.09369	6.7
283.10898	51.5
287.10403	1.3
309.08829	14.2
315.13345	1.6
327.09869	34.2
341.11633	1.5
359.12436	3.7
371.08881	44.4
403.11481	100.0
403.19824	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	403.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73199	0.6
57.03437	0.8
59.01363	4.3
61.64041	0.7
68.99813	3.1
69.02487	0.7
78.03262	0.8
83.06110	0.7
90.79183	0.7
91.63703	0.7
99.04510	1.3
99.86909	0.8
102.10940	0.9
108.02124	1.2
122.06097	1.1
123.00867	0.9
123.04475	5.4
132.04489	3.4
134.93983	0.9
138.03188	3.3
141.41518	0.8
147.03247	1.2
150.03206	1.5
160.04010	1.7
161.02380	1.9
161.04469	0.8
162.03270	1.0
162.05605	1.6
163.04004	1.9
166.02733	10.1
172.70886	0.8
173.23714	0.8
175.02663	4.9
176.03564	7.8
176.04846	1.6
177.05597	12.9
178.02763	9.7
179.03487	1.5
181.05080	100.0
190.05090	7.1
191.07156	1.6
193.05074	14.5
194.05923	8.3
204.03030	6.2
209.08095	4.8
215.11855	1.2
223.06030	0.9
224.09465	3.9
227.08322	6.6
234.04079	1.6
239.11916	10.8
240.10303	1.9
241.09790	4.6
243.07715	1.1
243.11328	3.5
253.06123	3.4
253.09827	1.4
254.07085	1.4
255.07649	4.2
255.11317	3.8
265.09656	1.8
267.07730	2.0
267.81573	1.0
268.08444	6.0
269.09244	4.9
271.07092	3.9
271.10489	1.0
281.09216	6.2
282.26602	1.2
283.07642	1.4
283.10876	21.6
287.10150	1.1
294.06592	2.7
297.05075	1.2
299.06741	1.2
299.10190	1.3
309.08826	15.9
327.09970	15.6
341.11273	1.3
343.10034	1.5
359.12369	1.7
371.08868	5.7
403.11343	97.7
422.84192	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77984	1.5
59.01345	2.8
75.05883	1.6
78.05452	1.5
122.06030	3.0
132.04436	2.9
144.65143	1.4
149.09831	1.3
150.05560	1.5
153.05508	2.1
160.04010	2.4
173.77615	1.5
175.02657	1.8
176.03409	5.7
178.02620	1.8
190.05121	12.8
193.01405	2.2
193.04889	6.7
204.02969	2.5
207.06606	1.8
208.03610	5.5
215.11714	2.9
223.06027	2.6
224.09378	2.2
227.08150	3.1
239.11905	16.9
240.10254	2.3
241.09879	5.2
243.11249	1.7
253.06091	3.1
255.07587	1.8
255.11191	7.6
267.07568	5.4
268.08310	7.3
269.09192	2.3
271.06931	2.0
281.09109	7.4
283.10901	33.7
309.08862	17.9
327.09863	17.0
353.07578	1.7
371.08942	15.2
381.25107	1.7
403.11154	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.138
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31250	2.6
57.37113	2.3
58.66088	2.3
59.01382	12.6
69.46486	3.5
71.01368	4.9
73.65359	3.0
85.02993	2.8
89.02448	6.2
96.96003	19.5
100.43825	3.2
101.02522	2.8
104.05651	3.1
133.87415	3.1
139.04008	6.6
146.04750	3.0
167.12251	2.8
181.05042	3.3
229.38013	3.6
235.11795	6.9
367.16086	15.5
403.13498	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1378
Annotation	Mallotophenone
Peak:m/z	Relative Intensity
50.51202	1.9
59.01369	3.4
60.73907	2.5
64.69851	2.3
65.76014	2.1
85.69710	2.2
101.02461	4.6
153.22888	2.8
221.95645	2.9
234.06042	3.3
235.11848	3.6
353.20520	2.7
367.16171	30.4
403.13760	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.14
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87816	0.8
59.01381	5.5
68.99821	3.9
71.01380	1.5
77.86090	0.8
79.49030	1.1
84.65513	0.9
89.02445	5.0
89.45515	0.9
90.14812	0.9
92.20084	1.0
95.01369	1.2
101.02438	2.0
119.03472	1.4
123.00887	5.7
123.04513	1.6
130.08752	1.7
138.03239	16.7
139.00398	6.2
139.04021	2.2
146.03728	17.2
151.04019	3.5
153.01903	2.5
153.05580	17.0
161.06091	8.2
162.03159	1.2
164.04793	12.4
165.01920	3.9
166.02750	1.3
168.04303	2.0
172.83047	0.9
176.01173	5.9
177.01950	1.3
177.05609	4.8
178.02731	6.5
179.03546	1.6
179.07138	23.7
179.10814	4.6
179.69521	1.2
180.04306	2.3
188.04834	2.0
189.75214	1.1
191.03488	9.8
192.04298	4.2
193.01450	19.2
193.05081	17.8
194.02164	1.1
194.05823	2.4
203.07074	1.2
207.06628	18.2
208.03787	40.6
209.04640	1.1
209.08243	1.2
219.06641	1.6
223.06158	26.3
223.09776	6.5
224.07056	1.4
239.12032	1.1
249.07750	4.4
283.10986	2.4
313.07361	2.3
328.09634	12.3
343.08148	1.9
343.11810	10.9
355.11957	1.9
373.08768	8.0
373.13034	6.5
383.24316	1.4
385.12903	1.7
388.11655	5.2
403.14093	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.0
63.24672	1.8
68.99819	2.5
70.12746	1.7
75.58537	1.9
93.41713	1.8
107.79401	1.9
109.02987	2.2
111.75880	1.7
116.48809	1.7
123.00882	8.3
125.02417	3.8
130.08775	3.1
137.26988	2.0
138.03250	20.8
139.00345	2.7
139.03989	7.0
146.03711	22.8
153.01895	7.3
153.05551	28.3
161.06099	13.6
164.04796	23.0
165.01917	4.1
168.04303	4.3
168.06653	1.8
176.01155	13.7
177.05623	2.7
178.02681	3.3
179.03522	2.6
179.07135	36.0
180.04272	4.5
190.05098	3.2
191.03471	15.3
192.04276	6.8
193.01433	35.3
193.05127	13.8
206.53505	1.8
207.06657	36.0
208.03780	65.6
223.06151	49.4
224.06940	3.0
239.11923	11.4
240.10410	2.1
249.07779	3.8
253.06297	2.1
264.05231	1.9
267.07919	2.6
268.08463	4.2
283.10864	25.1
299.16241	2.3
309.08844	6.9
327.09891	7.9
343.11743	2.7
371.08817	7.9
373.09055	2.6
373.13177	4.7
403.14624	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	403.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35756	1.1
56.97236	0.9
59.01382	55.0
61.69198	1.0
64.38048	0.9
65.89951	1.0
66.16897	1.1
66.41716	1.4
67.05531	1.1
71.01379	29.0
83.01353	1.4
85.02941	2.2
89.02436	33.7
95.01385	1.1
96.39193	1.0
99.04507	7.3
101.02441	15.0
105.44131	1.2
111.04456	1.3
113.02453	13.1
119.03487	12.7
124.05267	1.9
130.06804	1.2
135.11768	7.0
146.19228	1.0
161.09692	4.9
179.05562	4.1
179.10776	61.7
205.08586	1.5
223.09764	100.0
403.16058	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	403.1614
Annotation	Glu-Ala-Trp
Peak:m/z	Relative Intensity
54.05542	1.4
59.01382	75.7
71.01379	34.7
75.51201	2.0
81.77036	1.5
85.02957	3.8
89.02444	51.1
95.01385	2.9
99.04517	7.6
101.02439	26.0
104.37689	2.1
111.04536	2.3
113.02429	17.3
115.74658	1.8
119.03496	21.5
122.03740	2.5
124.05305	2.6
134.03760	23.6
135.11804	8.0
137.02470	2.1
143.03549	3.2
149.06087	14.4
150.03239	25.2
151.04047	3.6
156.16255	1.7
161.04573	2.7
161.09789	3.0
165.05585	16.4
178.02687	27.9
179.05618	14.8
179.10776	37.7
193.05086	67.5
209.04498	8.1
211.13396	10.2
217.16534	2.0
223.09781	100.0
223.13261	4.2
223.55814	1.9
233.11732	7.5
235.13318	2.2
241.14360	2.7
251.05582	2.7
269.14053	3.2
359.17096	9.2
403.10553	9.6
403.15991	52.8
403.21094	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	403.1974
Annotation	Lauroside B
Peak:m/z	Relative Intensity
50.39786	0.6
53.95071	0.7
57.03455	0.9
59.01377	9.0
64.83456	0.6
65.76145	0.8
66.03432	0.8
67.32069	0.7
71.01377	7.4
73.02940	4.9
82.70708	0.8
83.01377	1.8
85.02951	9.2
89.02434	1.0
92.22510	0.8
97.06553	1.1
99.00874	1.8
101.02435	20.9
111.08151	3.7
113.02448	5.8
133.73862	0.8
161.04533	1.6
165.12846	22.8
181.94513	0.9
183.13899	87.8
193.07167	17.8
209.11856	4.1
217.61884	1.0
227.12933	3.5
403.19785	100.0
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	Unknow
Peak:m/z	Relative Intensity
53.68970	0.9
54.89336	1.0
55.78184	0.8
57.03467	0.9
58.00570	1.0
59.01380	93.6
71.01376	55.4
73.02935	5.8
81.76362	0.9
83.01392	2.5
85.02934	13.8
87.00883	1.7
89.02437	66.7
95.01399	5.9
96.96013	7.8
101.02441	41.7
109.70396	1.0
113.02443	29.1
119.03483	27.3
131.03519	1.1
139.07672	1.8
141.09247	5.0
143.03525	2.0
149.04402	1.1
161.04564	4.3
168.07956	5.1
179.05647	8.2
193.12437	3.8
211.13420	6.3
239.84282	1.0
259.67972	1.1
373.18719	100.0
394.90286	1.2
403.19824	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	403.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47003	1.2
57.03437	1.8
59.01382	43.0
64.86729	1.2
65.03962	1.9
71.01376	100.0
73.02939	38.8
83.01382	10.2
85.02942	47.5
87.00873	9.5
88.88007	1.4
89.02436	15.2
91.10657	1.6
95.01366	10.1
97.02947	2.5
99.00927	9.9
100.26492	1.3
101.02436	78.8
106.42463	1.4
113.02438	51.9
113.33249	1.4
119.03486	2.1
143.03487	1.7
145.05049	2.9
149.09706	7.4
151.11415	1.4
153.09158	1.6
159.03040	10.3
161.04546	64.3
161.09703	16.7
167.10797	1.6
179.10764	10.8
235.08241	33.3
241.14519	2.2
282.62451	1.6
341.16122	1.4
358.43762	1.4
403.19788	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	403.209
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48103	0.7
54.20802	0.8
58.02983	9.4
58.11713	0.8
59.01379	5.1
59.55191	0.8
61.98847	1.0
72.00904	4.6
74.02480	0.9
84.04536	20.8
86.02475	13.3
98.02513	1.2
98.06087	8.9
99.00885	14.8
112.04051	10.1
114.01952	0.9
116.07186	1.0
118.05096	17.6
129.82562	0.9
133.96323	1.1
134.53381	1.0
142.05099	41.9
158.04596	1.2
160.06183	6.0
168.10312	16.8
170.11880	1.2
171.33299	0.9
172.76253	1.0
183.02759	0.9
183.69882	0.9
186.11375	9.5
226.04517	1.1
232.70111	0.9
329.17245	2.2
344.66055	1.0
403.20929	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2261
Annotation	Estradiol-17-phenylpropionate
Peak:m/z	Relative Intensity
57.76038	9.8
59.01386	100.0
59.67101	11.2
63.32977	9.7
72.62583	13.6
88.54594	12.6
102.08891	10.8
142.03725	11.6
158.35985	13.5
161.50841	12.4
261.04807	13.5
274.53534	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	403.226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
61.25462	62.0
65.59200	65.1
68.21658	63.9
70.17618	71.1
77.02290	57.0
85.83250	65.1
90.61743	84.0
111.67365	62.5
112.21510	64.9
129.12343	77.6
142.01909	76.3
147.38196	70.0
204.60516	78.0
273.36990	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	403.2259
Annotation	Estradiol-17-phenylpropionate
Peak:m/z	Relative Intensity
51.80931	4.4
55.29819	4.3
59.01388	100.0
61.98839	7.5
64.31153	4.4
94.11327	5.7
94.82004	5.9
126.95851	5.8
152.14514	6.5
209.35390	6.1
222.87837	5.4
301.71512	6.8
303.02896	7.7
306.15894	6.3
389.71823	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	403.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
62.98583	16.6
72.45061	15.1
79.93420	14.9
81.48392	15.1
90.28892	15.7
98.01876	14.6
106.30433	16.9
112.83851	16.1
200.09251	16.2
374.78708	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	403.2258
Annotation	Estradiol-17-phenylpropionate
Peak:m/z	Relative Intensity
57.28520	66.7
65.66470	60.0
79.26125	63.5
82.94994	67.7
85.93366	61.9
89.55526	64.3
92.22565	100.0
93.62460	72.7
120.31779	66.1
161.05017	79.6
258.16382	79.0
261.11099	73.1
269.74081	90.9
292.02875	92.8
312.07800	77.4
319.55438	74.5
349.54703	75.9
406.12329	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	403.2261
Annotation	Estradiol-17-phenylpropionate
Peak:m/z	Relative Intensity
58.22784	14.8
58.50426	16.8
59.01382	100.0
61.98819	47.9
64.42751	17.1
65.59668	19.5
66.29251	20.1
128.64317	18.9
148.12236	19.7
153.04205	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	403.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39393	11.9
59.01381	100.0
69.14196	15.6
69.18198	16.3
169.02766	16.7
189.22252	16.2
249.15804	16.1
338.00470	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	403.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.98833	16.2
74.79678	18.2
75.01788	17.3
103.34632	16.9
139.50092	18.4
152.84601	17.3
174.63780	16.6
175.44170	15.8
240.97786	17.9
301.31876	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	403.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04176	0.6
53.65658	0.7
55.51772	0.6
57.48060	0.7
58.83589	0.6
59.01382	5.0
71.01360	0.7
71.57626	0.6
79.87981	0.7
86.68426	0.7
89.02441	1.5
91.04007	14.4
99.08143	7.1
127.11281	3.5
139.11278	6.5
171.10269	22.9
183.13930	5.1
193.12314	1.7
199.13496	0.7
207.39890	0.8
209.11824	0.8
211.13409	44.8
229.14444	30.0
293.21149	3.0
311.22321	11.1
329.23373	100.0
403.18469	1.6
412.90128	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2704
Annotation	bhos#26
Peak:m/z	Relative Intensity
52.68893	0.5
54.52313	0.5
57.46636	0.6
57.98584	0.6
59.01382	100.0
70.99886	0.6
75.48572	1.0
75.48988	0.7
78.79429	0.6
92.22466	0.8
99.85881	0.6
115.36651	0.7
134.80682	0.7
161.04037	0.7
258.05774	0.8
264.52002	0.8
282.17374	0.7
410.43823	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2704
Annotation	bhas#26
Peak:m/z	Relative Intensity
56.81046	0.7
57.03471	0.6
59.01376	4.5
74.06760	0.7
74.45551	0.7
83.50356	0.6
89.02436	4.0
91.03996	13.7
99.08153	4.5
114.38562	0.6
127.11302	2.8
139.11276	3.4
157.89342	0.9
167.14415	0.8
171.10258	12.1
183.13890	6.0
193.12253	1.6
209.11838	1.5
211.13403	44.4
228.81543	0.8
229.14462	28.0
293.21179	3.7
311.22302	14.5
329.23370	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	403.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37115	0.5
59.01382	100.0
59.07752	0.4
63.39407	0.4
66.87549	0.4
71.01423	0.5
74.44295	0.5
77.85487	0.5
77.95860	0.6
89.02431	0.5
91.04012	3.1
91.31343	0.4
101.02438	0.6
139.11325	0.6
139.54781	0.4
145.42989	0.5
171.10341	2.1
183.13924	0.5
211.13448	7.3
229.14413	4.2
285.20883	0.8
311.22388	2.8
329.23370	13.4
390.89026	0.6
403.23215	3.1
403.30719	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
89.02437	0.9
91.04008	4.8
94.10925	0.8
101.02441	1.1
113.02439	0.8
123.25898	0.8
134.84686	0.7
139.11324	1.4
171.10255	6.2
183.13933	1.8
211.13408	13.8
223.19113	0.7
227.10822	0.9
229.14439	9.2
311.22418	1.6
320.88678	0.8
329.23361	36.7
343.28699	0.9
349.28052	0.8
403.18912	0.9
403.23514	1.6
403.30814	1.3
419.31192	0.9
422.46552	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
93.53013	0.4
132.64684	0.5
139.78499	0.4
146.93394	0.5
152.14651	0.4
190.47214	0.5
194.45303	0.4
240.20045	0.5
251.10516	0.5
404.10526	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	404.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98520	2.4
61.98828	59.9
70.48065	1.4
71.01365	6.8
71.94626	1.4
82.02973	6.3
85.04066	18.7
87.05621	12.1
88.04026	10.6
102.00188	5.9
102.22395	1.4
109.24121	1.5
113.03551	2.2
127.05175	10.7
128.03525	89.4
135.05649	2.9
145.06166	2.5
152.08273	12.1
153.06671	3.4
157.06168	77.0
159.07764	2.6
166.06131	2.0
174.02295	15.3
178.06177	6.3
179.04596	8.2
182.01334	1.4
184.04941	2.4
184.07214	3.0
188.79060	1.6
191.04927	2.5
196.07274	22.4
214.08327	1.8
232.65848	1.5
242.11354	1.5
248.07137	2.5
268.09451	3.1
286.10443	13.0
302.08188	2.9
320.09225	100.0
372.11328	1.6
404.14999	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	404.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98013	0.4
59.01379	1.0
59.20431	0.4
61.98833	100.0
66.36019	0.4
81.07294	0.4
83.89716	0.4
111.92688	0.5
113.06078	0.6
142.65918	0.4
161.47047	0.4
176.24423	0.4
209.11929	1.8
244.84001	0.5
341.19629	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	405.168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01420	1.8
50.35520	1.7
50.99068	1.8
55.74323	2.0
56.01114	1.9
57.03456	41.4
57.26247	1.9
59.01382	59.8
60.46272	2.1
71.01375	16.4
73.02934	3.9
76.20481	2.4
78.29194	2.2
83.87665	2.1
85.02953	3.4
89.02437	9.9
96.34789	2.1
99.04510	36.0
101.02435	19.5
107.20632	2.2
110.06105	12.0
111.05118	2.5
113.02418	3.7
122.06096	16.1
125.02419	13.3
143.03496	3.6
144.69400	2.2
161.04520	5.2
174.05615	3.0
181.12367	3.6
218.04588	100.0
219.05392	15.7
225.11346	5.4
227.30098	2.5
229.36588	3.1
233.06958	17.9
243.12347	4.8
251.04395	3.5
261.13400	9.7
313.08499	2.4
343.12836	9.9
355.12970	14.6
357.11057	2.6
358.11768	4.8
373.14001	19.9
375.15497	3.2
387.15594	31.9
405.17038	90.5
405.21979	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	405.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	54.6
57.37613	3.6
59.01380	100.0
64.49780	4.4
71.01379	19.7
75.00908	5.6
85.02943	10.3
86.13452	4.8
89.02441	9.9
98.05738	4.2
99.04497	42.4
101.02438	26.3
111.00077	5.7
113.02414	19.3
125.02442	7.3
141.94324	4.8
154.98996	35.6
160.04169	4.6
195.94456	4.5
196.63127	6.3
249.06148	37.8
313.79410	4.7
405.05762	43.5
405.16882	70.5
405.21652	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	405.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	100.0
59.01380	90.6
59.61659	1.4
63.95508	1.4
67.07877	1.6
71.01381	13.1
73.00927	1.6
73.02942	2.3
89.02438	18.8
99.04513	95.4
101.02443	24.3
113.02438	9.7
119.03481	6.6
125.02428	39.7
143.03609	5.0
179.05669	1.9
259.39917	1.5
303.14511	8.2
405.17624	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	405.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	21.7
59.01675	1.0
61.98816	1.2
71.01379	10.4
71.05025	0.7
73.02921	5.9
83.01368	1.6
85.02934	7.9
88.69512	0.9
89.02438	5.0
95.01373	1.4
99.00896	5.9
101.02428	8.7
111.08089	1.2
113.02452	6.7
119.03529	1.3
155.14362	1.3
163.11340	1.0
164.54475	0.9
165.05540	3.3
178.41742	0.9
181.12372	6.7
183.10146	1.3
183.13925	5.9
195.06485	1.2
199.13405	83.8
207.10280	6.6
225.11353	24.2
243.12372	33.1
255.35828	0.8
361.18802	11.2
405.17691	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	34.0
60.25570	1.1
71.01373	14.6
71.44663	1.0
82.72134	1.5
85.02957	2.4
89.02440	20.1
92.79061	1.3
92.96196	1.1
101.02445	9.2
112.34679	1.2
113.02422	7.9
116.74519	1.2
117.62080	1.1
119.03474	5.1
126.46156	1.1
128.04079	1.3
153.95239	1.2
163.11307	16.5
170.04051	1.2
172.10277	1.2
181.12332	49.1
199.13313	1.6
207.10150	2.1
224.83861	1.2
225.11331	59.8
243.12320	1.8
285.11453	1.8
327.29761	1.4
329.10342	2.0
373.09360	4.7
399.80212	1.3
405.12402	5.9
405.17593	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95267	1.1
79.95740	30.5
80.96516	3.0
83.08838	0.6
87.44357	0.6
95.95214	5.3
96.96006	100.0
97.02965	1.0
110.97574	1.5
148.29892	0.7
176.98720	0.8
193.05432	9.2
279.43399	0.8
371.36816	0.8
405.19574	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	405.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33455	1.1
59.60085	1.2
63.09809	1.2
65.00951	1.5
73.69093	1.1
75.04969	1.5
79.95746	20.3
80.96530	2.0
95.95248	2.8
96.96004	100.0
110.97568	2.4
139.96545	1.6
172.20627	1.6
176.98672	2.0
192.62862	1.5
279.08890	3.5
405.19534	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	405.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38393	44.1
60.72412	40.9
70.83056	49.0
73.75948	42.6
97.99291	38.8
136.04305	39.8
156.89583	41.7
345.20483	100.0
355.57822	48.5
406.91797	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	405.2418
Annotation	Nandrolone phenpropionate
Peak:m/z	Relative Intensity
51.04745	81.7
56.61833	70.2
57.40587	89.5
58.94210	76.3
59.01395	97.0
60.34887	79.5
63.50434	80.4
65.61533	93.8
105.93778	80.8
108.61691	84.9
165.33185	83.1
195.75771	95.9
216.33899	98.0
244.38753	94.5
375.33929	100.0
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
53.21702	62.0
53.24604	63.6
59.01383	67.4
62.12921	78.3
69.69392	66.4
82.01529	65.3
82.52878	57.7
92.23170	79.3
99.09334	71.8
196.40341	65.3
196.96321	72.1
198.73036	100.0
212.08043	70.5
238.51717	82.0
422.22476	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	405.2414
Annotation	Nandrolone phenpropionate
Peak:m/z	Relative Intensity
50.68624	58.5
55.62179	60.5
57.02081	62.1
60.50801	64.1
63.74520	62.7
65.87440	64.3
69.22163	67.6
83.98027	81.3
129.15491	71.9
138.06059	75.6
144.74582	88.5
156.32541	86.7
250.21732	75.6
319.57687	100.0
422.56946	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	405.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33104	87.1
59.54718	75.5
63.57164	74.3
81.00202	85.5
108.20593	90.6
143.36659	96.6
231.90668	100.0
256.54669	87.1
269.69980	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	405.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90581	66.2
86.45424	78.1
132.56212	91.8
138.77361	77.5
158.43411	92.8
163.09319	78.2
168.55484	80.9
246.45479	93.7
363.20892	89.0
405.25970	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	405.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.4
57.03448	0.6
59.01101	0.5
59.01384	10.5
69.92678	0.3
71.01377	7.6
72.99302	0.4
73.02943	2.0
80.96499	0.9
83.01389	2.2
85.02939	5.2
87.00871	1.5
87.97715	0.4
89.02431	2.4
89.53356	0.4
99.00876	0.7
100.51394	0.4
101.02438	7.9
108.17609	0.4
111.00877	0.7
113.02422	2.4
124.01634	0.5
125.02387	0.4
129.01917	0.6
169.00826	0.4
169.13368	0.4
207.33386	0.4
225.18700	1.4
239.16524	0.4
243.19655	31.4
257.17639	0.9
257.21011	0.5
387.23883	4.0
405.24969	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54697	0.8
54.49221	0.8
59.01379	100.0
61.11334	0.7
61.98827	1.7
71.01373	1.4
78.88514	0.8
79.20060	0.8
97.03027	0.9
101.02423	2.2
113.02457	1.1
122.98547	0.9
142.36852	1.0
163.06757	0.9
189.10199	1.1
204.75769	1.0
213.18576	1.5
216.81973	1.0
240.66196	0.9
285.61539	1.1
299.26056	1.1
317.26556	1.0
340.98264	1.3
345.30075	14.9
369.22955	1.2
373.00952	5.7
405.13098	1.0
405.28497	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	406.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	6.1
59.01377	0.7
66.03451	0.4
71.01381	0.6
74.02463	15.7
81.04587	0.7
82.02965	1.9
82.12364	0.4
84.04556	0.7
85.04054	0.6
86.02471	6.7
86.06091	0.6
87.05634	3.0
89.02443	0.6
97.04043	1.0
97.42786	0.5
99.05637	18.5
101.07207	4.2
102.05591	2.3
107.06117	0.6
109.04079	0.6
109.07670	0.5
111.05665	0.6
112.04026	0.7
123.05593	1.1
125.03586	1.0
126.04361	0.7
127.05115	3.9
128.03522	45.9
133.06921	16.0
135.05652	4.3
137.07254	0.6
141.06668	3.6
143.04614	70.4
145.06187	3.5
146.04572	9.5
153.06668	4.2
155.08290	0.9
166.09869	2.7
167.04579	3.7
167.08279	5.2
170.03339	2.0
171.95959	0.5
179.04608	14.7
181.06175	2.8
184.10815	0.7
185.81378	0.5
192.07751	1.9
197.05684	0.9
210.08858	10.3
228.09756	0.8
254.07809	15.1
272.08881	19.6
277.12274	2.1
324.74438	0.6
388.15527	7.7
406.16544	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62222	0.8
58.02967	5.9
59.95169	0.8
61.98818	1.2
62.65885	0.8
74.02464	16.8
74.49701	0.9
82.02948	1.6
86.02469	8.7
87.05640	2.1
88.46082	0.9
99.05647	16.7
101.07207	1.9
102.05594	1.7
109.04128	1.1
111.05628	1.1
123.88654	0.9
125.03530	2.0
126.04295	1.1
127.05110	1.9
128.03528	43.1
133.06932	13.2
135.05646	6.5
141.06677	3.6
143.04619	78.7
145.06197	4.0
146.04578	7.6
153.06689	7.1
155.08253	1.7
166.09842	3.7
167.04617	3.5
167.08240	5.6
170.03331	1.2
179.04640	12.8
181.06192	2.1
185.05740	1.1
192.07727	1.7
197.05785	1.0
204.14729	0.9
210.08772	11.7
222.20741	1.0
254.07861	12.7
272.08887	19.8
277.12134	1.7
388.15616	8.7
406.16544	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36472	0.5
53.48296	0.4
55.39870	0.5
59.44796	0.5
61.98832	100.0
96.00916	0.6
96.95989	4.0
97.83508	0.5
113.03582	2.3
117.57975	0.5
129.75951	0.5
139.04594	0.6
153.58138	0.7
189.37253	0.5
267.97275	0.6
307.30008	0.6
343.21243	0.9
406.19077	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	407.117
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42542	1.6
54.47456	1.4
56.68513	1.5
67.60704	1.5
74.08617	1.6
77.28897	1.5
78.95883	2.3
82.23087	1.5
84.93915	1.6
87.08046	1.6
92.54361	1.6
95.74273	1.7
96.95996	1.9
99.92580	48.9
100.93360	10.7
110.56699	1.6
115.92078	40.9
116.92850	93.5
137.09790	1.9
209.11833	8.4
239.20200	41.9
268.02832	1.9
289.69757	1.7
309.04437	2.1
326.37582	1.7
389.54959	1.9
407.11734	100.0
407.22217	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	407.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98534	0.9
59.01388	7.9
62.02767	0.8
64.07142	0.8
68.99813	40.9
78.01181	1.0
98.89117	0.8
99.86258	0.8
101.02438	100.0
108.04557	15.7
132.04521	1.9
134.02478	61.5
136.81255	0.9
138.05592	1.2
152.03539	9.8
158.24033	1.0
160.04073	3.7
172.56589	1.0
175.02747	1.4
176.03525	14.7
192.06528	0.9
200.07356	3.3
203.02293	1.3
204.03015	33.8
206.00902	1.4
207.01666	3.9
215.08278	2.4
217.09798	16.5
229.09755	1.9
243.07747	23.2
247.10826	5.2
261.08817	10.8
264.64685	1.0
273.08817	31.0
273.11615	1.6
291.09888	19.6
305.11423	1.9
323.12506	2.1
343.09418	19.3
347.12515	3.4
347.16849	1.1
375.12045	20.6
407.14673	31.6
407.19427	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	407.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98534	0.9
59.01388	7.9
62.02767	0.8
64.07142	0.8
68.99813	40.9
78.01181	1.0
98.89117	0.8
99.86258	0.8
101.02438	100.0
108.04557	15.7
132.04521	1.9
134.02478	61.5
136.81255	0.9
138.05592	1.2
152.03539	9.8
158.24033	1.0
160.04073	3.7
172.56589	1.0
175.02747	1.4
176.03525	14.7
192.06528	0.9
200.07356	3.3
203.02293	1.3
204.03015	33.8
206.00902	1.4
207.01666	3.9
215.08278	2.4
217.09798	16.5
229.09755	1.9
243.07747	23.2
247.10826	5.2
261.08817	10.8
264.64685	1.0
273.08817	31.0
273.11615	1.6
291.09888	19.6
305.11423	1.9
323.12506	2.1
343.09418	19.3
347.12515	3.4
347.16849	1.1
375.12045	20.6
407.14673	31.6
407.19427	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	407.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	29.7
61.77138	0.5
69.27003	0.4
69.28885	0.5
70.77692	0.6
71.01379	13.4
71.23788	0.6
83.31571	0.5
85.02962	2.5
89.02435	18.4
92.23106	0.7
95.01383	0.7
100.57705	0.5
101.02439	12.7
113.02441	6.7
119.03496	5.2
126.01804	0.5
131.15034	0.4
132.40717	0.5
138.18980	0.5
165.12862	9.3
171.10316	0.7
183.13921	17.8
209.11850	9.7
227.12900	32.8
245.13965	3.7
293.81897	0.7
407.19266	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1924
Annotation	Daumone 4
Peak:m/z	Relative Intensity
57.03453	100.0
59.01381	83.0
61.98839	2.7
71.01376	10.4
73.02937	3.2
78.83416	1.5
83.05887	1.8
85.02937	22.1
89.02434	1.9
99.04512	85.2
101.02441	37.0
102.70325	1.5
111.00895	3.3
113.02448	8.1
123.51408	1.7
125.02422	32.0
129.01935	10.8
129.84692	1.7
134.14627	1.6
143.03564	3.0
153.12839	2.4
161.04536	3.9
205.03581	4.2
215.12936	3.5
263.15067	15.6
305.16037	11.2
345.19339	2.1
398.48148	2.2
407.19205	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	407.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20097	1.7
57.03450	100.0
59.01104	3.1
59.01384	89.2
71.01378	8.9
73.02947	2.3
76.54041	2.1
80.14116	2.4
85.02950	3.4
91.77585	2.2
99.04512	96.9
101.02448	39.7
106.97694	2.5
113.02440	4.7
124.61290	2.1
125.02431	33.3
143.03458	2.9
161.04555	4.4
166.70340	2.5
263.15140	18.5
305.16046	13.9
345.19366	3.9
407.19080	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	407.1924
Annotation	Daumone 4
Peak:m/z	Relative Intensity
55.90415	2.0
57.03453	92.9
59.01379	75.1
71.01388	3.6
85.02930	2.2
96.79694	1.8
99.04511	100.0
101.02433	33.7
113.02463	3.0
125.02431	37.2
143.03476	3.9
161.04523	3.3
263.15100	21.2
305.16101	13.1
407.19257	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	407.2207
Annotation	Palmitoylglycerone phosphate
Peak:m/z	Relative Intensity
59.01377	3.6
60.32912	0.7
70.88941	0.8
78.95907	7.7
85.52953	1.0
96.96004	6.2
110.98539	8.8
113.38299	0.8
118.02932	0.8
141.17357	0.8
167.01102	13.3
181.04631	1.0
185.02216	3.5
200.96292	3.1
221.18973	1.1
228.99356	1.2
239.20178	100.0
257.42252	0.9
327.28903	1.5
335.18060	5.3
407.16495	19.3
407.22070	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	407.2207
Annotation	Palmitoylglycerone phosphate
Peak:m/z	Relative Intensity
59.01379	2.1
61.18353	1.1
65.64541	1.1
78.75599	1.1
78.95902	9.6
86.26320	1.0
101.56369	1.0
106.57796	1.4
110.98515	14.0
166.99965	1.2
167.01175	15.0
185.02155	2.4
221.19151	1.4
239.20181	100.0
322.81540	1.3
407.22018	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	407.2207
Annotation	Palmitoylglycerone phosphate
Peak:m/z	Relative Intensity
59.01379	2.1
61.18353	1.1
65.64541	1.1
78.75599	1.1
78.95902	9.6
86.26320	1.0
101.56369	1.0
106.57796	1.4
110.98515	14.0
166.99965	1.2
167.01175	15.0
185.02155	2.4
221.19151	1.4
239.20181	100.0
322.81540	1.3
407.22018	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	407.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67262	0.6
59.01383	100.0
71.01357	1.5
71.93711	0.6
74.40610	0.6
85.02954	1.7
105.23000	0.8
118.88033	0.6
159.15868	0.7
210.10739	0.7
215.28275	0.9
273.10632	0.8
407.22733	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	407.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19528	0.5
67.05545	1.0
76.37141	0.6
78.47347	0.7
95.05021	15.7
106.00111	0.7
122.08385	0.7
124.01643	2.8
127.21878	0.6
139.04015	100.0
145.69037	0.7
174.06761	0.6
407.31583	4.8
420.55786	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01120	1.0
55.86769	0.9
57.03453	24.9
59.01385	4.8
59.97093	1.1
60.19995	0.9
63.33783	1.1
64.11321	1.3
99.04515	59.4
99.05171	2.1
101.02446	18.9
135.42934	1.1
161.04559	100.0
169.31697	1.1
225.17354	1.1
276.11823	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	408.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11792	0.2
70.96236	0.2
75.11124	0.2
75.32467	0.3
79.95731	21.6
80.22398	0.3
80.96509	2.7
96.96024	0.6
98.27219	0.3
125.09708	3.6
125.10578	0.4
141.12859	1.3
157.12329	1.9
186.11356	13.4
193.09027	0.7
221.08540	100.0
223.14606	0.4
248.55891	0.3
250.07649	0.4
370.10120	0.4
376.95197	0.3
408.20584	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	408.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44673	0.7
53.74094	0.6
61.98831	100.0
63.95946	0.7
79.95741	3.9
80.96527	0.8
87.31967	0.8
90.33414	0.8
96.96011	5.3
264.45526	0.9
275.57712	1.0
355.00195	0.9
408.20169	1.8
408.24847	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44673	0.7
53.74094	0.6
61.98831	100.0
63.95946	0.7
79.95741	3.9
80.96527	0.8
87.31967	0.8
90.33414	0.8
96.96011	5.3
264.45526	0.9
275.57712	1.0
355.00195	0.9
408.20169	1.8
408.24847	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29005	1.4
54.79968	1.5
55.74826	1.5
56.50745	1.5
59.01375	6.6
60.80408	1.6
70.17569	1.7
78.95880	2.8
99.92587	36.4
100.93366	15.4
115.92059	37.0
116.92848	98.0
139.11288	2.7
141.08360	1.9
149.79437	1.7
152.99561	10.8
167.10753	3.7
182.89893	1.7
229.03230	1.7
239.20395	2.0
281.80289	2.0
343.77390	1.8
409.13263	100.0
409.23679	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	409.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95892	1.9
84.93868	0.9
87.82722	0.4
99.92577	27.8
100.93355	9.5
115.92067	31.3
116.92848	69.8
139.11282	2.9
152.99591	4.7
181.12299	0.6
184.12773	0.4
209.11859	1.7
241.21756	22.0
264.56076	0.4
276.04550	0.6
279.19623	0.9
291.03271	0.5
320.03516	0.5
338.04965	0.5
371.83929	0.4
379.60321	0.4
409.13263	100.0
409.23520	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	409.172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01685	0.7
55.01876	1.0
56.44481	0.8
59.01382	56.0
69.21877	0.6
71.01376	19.3
73.02939	19.0
83.01381	4.0
85.02950	9.7
89.02441	5.6
95.01373	1.2
99.00887	6.9
101.02437	31.8
107.25392	0.8
113.02443	16.0
115.58317	0.8
125.02406	1.0
129.01929	0.8
131.03494	0.8
143.03499	1.5
159.02985	3.9
161.04565	15.5
187.68515	1.0
217.10852	2.7
235.11884	42.4
241.07414	1.4
243.65749	0.7
277.12961	2.9
349.15216	0.9
367.16165	22.8
378.24457	0.9
385.27695	0.8
400.14188	0.8
409.17175	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	409.172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	48.0
64.24885	0.5
71.01382	19.4
73.02946	19.7
75.00861	0.8
78.08630	0.7
79.71817	0.7
83.01387	1.4
85.02940	8.6
89.02435	8.2
90.38829	0.6
93.69904	0.6
94.11799	0.7
96.28062	0.6
97.02934	0.9
99.00863	8.5
101.02444	30.6
101.90916	0.6
111.24744	0.7
113.02449	17.1
119.28699	0.6
125.02444	0.8
131.03557	1.0
135.17311	0.6
143.03525	1.7
153.64133	0.7
159.02986	4.1
159.10281	10.1
161.04544	17.7
161.05798	1.0
212.91743	0.7
217.10919	1.1
235.11882	40.9
277.13013	3.7
349.15118	1.3
354.72772	0.8
367.16125	21.9
409.17209	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.2
56.08035	1.9
57.03448	44.4
59.01381	100.0
71.01382	26.9
73.02934	12.2
85.02951	20.4
87.00882	2.9
89.02430	18.2
95.01353	2.5
99.00861	4.3
99.04514	56.7
101.02435	38.3
111.00890	2.8
111.08130	3.0
112.44656	2.1
113.02446	29.3
119.03458	4.0
125.02434	30.4
143.03519	5.6
145.02922	4.4
157.08731	2.9
159.10258	4.2
161.04565	18.5
210.69035	2.4
235.11824	11.6
265.12982	23.3
307.13931	17.7
321.59604	2.3
349.15015	23.8
349.18866	5.2
367.16061	25.5
409.12991	3.9
409.17239	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	409.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79734	0.5
58.29099	0.6
59.01384	100.0
66.72281	0.5
71.01376	2.5
72.80225	0.5
77.99128	0.6
99.11539	0.5
101.02441	1.0
105.76405	0.6
119.04977	0.8
119.09260	0.9
131.07161	0.9
145.02959	16.2
348.72440	0.6
409.15149	8.1
409.20093	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30399	0.4
61.98827	0.8
71.35910	0.4
71.95969	0.4
77.80181	0.4
78.95900	0.9
79.95735	5.3
80.96513	0.4
83.45216	0.4
95.95242	0.8
96.96004	100.0
101.58089	0.4
115.96578	0.4
135.91176	0.5
152.99583	2.3
171.10284	2.5
184.08398	0.5
193.63678	0.4
199.13423	2.9
211.13388	4.9
221.14995	0.5
229.14375	4.7
237.08006	0.6
250.07791	0.4
293.21292	0.7
311.22369	0.7
329.23438	9.7
409.19061	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	409.2
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94154	5.1
59.01374	76.0
69.35290	7.4
70.66846	6.0
83.31402	6.5
97.14212	5.8
98.88143	7.1
100.24609	6.4
107.68685	6.0
154.84624	6.3
224.89658	7.4
405.86087	8.1
409.20139	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86407	0.5
55.01880	0.9
57.03445	1.3
59.01099	1.1
59.01381	24.2
63.60378	0.6
71.01379	27.7
72.44791	0.5
73.02947	17.2
75.00892	0.6
82.02982	1.3
83.01389	5.5
85.02947	16.4
87.00865	2.5
89.02434	8.9
95.01402	2.0
97.02974	2.4
99.00859	5.8
99.04557	0.8
101.02441	36.9
106.02968	2.6
111.00881	0.7
112.19848	0.5
113.02444	15.9
125.02433	2.3
131.03523	1.1
135.79674	0.6
143.03505	1.3
151.49535	0.6
152.99602	0.8
157.26939	0.7
159.02975	2.5
161.04547	5.5
210.04150	2.3
215.15358	0.7
233.06505	0.6
277.16568	26.0
409.20844	100.0
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
55.01860	0.8
56.19614	0.6
57.03446	1.1
59.01102	1.0
59.01381	20.3
67.57433	0.8
71.01379	27.5
73.02938	19.9
75.00889	1.0
75.99619	0.8
83.01389	6.1
83.86636	0.8
85.02939	16.3
87.00864	0.9
88.32334	0.7
89.02449	6.4
92.22533	1.5
95.01369	3.1
97.02953	1.2
99.00874	6.4
101.02439	43.5
111.00861	0.8
111.06525	0.7
113.02455	19.7
115.04049	1.2
125.02386	1.4
127.03918	0.9
131.03481	0.9
143.03442	0.9
152.99747	0.8
159.02983	1.6
161.04584	7.6
210.17715	0.8
237.55621	0.8
277.16602	20.0
330.85345	0.8
357.92316	0.9
409.20834	100.0
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
53.02417	0.8
57.03447	1.4
59.01130	1.3
59.01379	16.3
66.77243	0.9
71.01380	27.0
71.54523	0.8
73.02937	18.2
77.54144	1.0
82.30460	0.9
83.01384	6.5
85.02939	14.7
89.02431	5.4
99.00871	5.9
101.02435	42.2
102.85235	0.9
112.85103	1.0
113.02441	14.3
131.03500	1.4
143.03526	1.3
159.02977	1.4
161.04536	5.9
203.26436	0.9
277.16568	26.8
378.03067	1.1
409.02570	1.1
409.20828	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	409.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58240	0.6
57.37824	0.5
58.88380	0.5
59.01382	100.0
68.38899	0.6
71.01390	5.2
73.02968	1.2
85.02953	2.5
89.02453	3.2
95.01391	1.0
101.02438	6.3
113.02418	3.3
129.09225	1.0
158.13666	0.6
161.04492	0.8
174.51997	0.6
179.80528	0.6
181.31932	0.6
187.08885	1.1
187.13411	1.3
189.01961	0.6
195.14841	0.6
276.32361	0.7
307.17572	1.0
349.18671	3.2
409.16077	1.1
409.20859	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	409.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.0
57.03446	1.9
59.01382	40.8
71.01374	26.6
73.02940	19.1
78.07685	0.8
83.01381	6.8
85.02944	15.9
87.00862	1.0
89.02437	4.9
91.53880	0.7
92.40130	0.7
97.02945	1.0
99.00863	5.3
101.02436	40.1
113.02441	16.1
115.03983	1.0
125.02380	1.6
135.62549	0.8
140.74753	0.9
142.58025	0.8
159.02902	2.9
161.04523	5.9
277.16550	26.2
277.19296	1.4
349.18546	1.4
349.22275	3.3
409.20804	100.0
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
50.90243	0.6
55.21695	0.7
57.03444	1.3
57.24852	0.7
59.01157	2.5
59.01382	65.9
71.01374	13.6
72.99305	0.9
73.02950	6.3
78.91862	1.2
83.01387	3.3
85.02940	8.1
87.00863	0.8
89.02441	3.8
95.01425	1.9
95.89616	0.8
99.00900	4.0
99.04548	0.8
101.02446	22.2
108.77820	0.9
113.02424	10.9
115.67938	0.8
125.02388	1.2
130.63547	0.9
140.89842	0.7
147.04486	1.2
161.04552	1.9
169.37851	0.8
187.13457	3.5
235.11896	1.9
256.83856	0.8
311.23459	0.8
327.10867	0.9
349.15179	6.5
349.18494	5.9
367.16241	6.2
409.20877	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29397	2.1
59.01385	38.2
61.98812	3.1
64.65292	2.4
71.01369	19.4
74.03608	3.8
75.96955	2.3
85.02944	4.5
89.02455	3.5
98.13292	2.3
101.02425	16.9
113.02446	4.6
117.28292	2.5
119.03506	2.8
124.54117	2.8
161.04570	3.0
168.16917	2.7
187.13374	5.5
202.00697	3.2
218.11880	23.9
250.14426	3.9
404.79950	2.9
408.89157	2.5
409.16068	7.8
409.20819	100.0
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
50.09367	0.4
59.01383	100.0
69.58157	0.5
71.01371	2.4
73.02942	1.0
81.24775	0.5
81.76238	0.6
85.02947	0.7
88.86558	0.6
89.02399	0.8
92.22448	0.6
101.02436	3.5
113.02402	1.2
121.35461	0.5
161.04532	1.1
224.15485	0.6
307.17596	3.4
319.98438	0.6
349.18655	8.8
409.20688	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	409.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	9.6
59.01381	92.0
61.98812	3.7
71.01376	36.8
73.02948	13.8
76.30941	2.1
82.03119	2.0
83.01390	5.4
85.02943	17.3
89.02438	9.7
99.00876	4.4
101.02434	32.8
113.02438	20.5
132.63283	2.4
161.04544	5.7
209.08180	2.9
277.16553	19.8
305.76047	2.2
349.18515	3.5
349.22269	9.0
409.20801	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.1
59.77101	0.6
60.13579	0.6
61.66894	0.5
61.98846	2.6
62.44156	0.5
66.10934	0.5
66.56029	0.5
69.69390	0.6
76.64920	0.5
78.95921	1.3
80.91710	1.0
83.94306	0.6
135.48181	0.7
152.99619	7.0
153.12907	0.9
156.38716	0.7
181.12367	4.2
193.08443	1.1
197.11877	1.3
199.13420	5.9
203.10551	1.0
209.11636	1.2
219.09993	3.9
221.11607	11.6
227.12889	6.8
249.11101	100.0
276.00330	0.8
309.20648	0.9
331.19128	2.4
333.46100	0.7
409.23669	1.5
409.30679	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	409.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.1
59.77101	0.6
60.13579	0.6
61.66894	0.5
61.98846	2.6
62.44156	0.5
66.10934	0.5
66.56029	0.5
69.69390	0.6
76.64920	0.5
78.95921	1.3
80.91710	1.0
83.94306	0.6
135.48181	0.7
152.99619	7.0
153.12907	0.9
156.38716	0.7
181.12367	4.2
193.08443	1.1
197.11877	1.3
199.13420	5.9
203.10551	1.0
209.11636	1.2
219.09993	3.9
221.11607	11.6
227.12889	6.8
249.11101	100.0
276.00330	0.8
309.20648	0.9
331.19128	2.4
333.46100	0.7
409.23669	1.5
409.30679	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	409.2363
Annotation	1-Palmitoyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
61.21230	0.3
74.08305	0.4
78.45124	0.3
78.95901	40.5
96.96947	4.6
133.13649	0.4
150.98041	0.9
152.99582	100.0
159.86574	0.4
171.00647	2.5
241.21786	0.7
255.23332	3.5
334.37344	0.4
409.23642	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.8
71.01373	0.6
73.02937	2.6
74.98472	0.3
78.95896	3.7
83.26993	0.3
85.06582	0.4
92.37837	0.3
103.04022	0.7
103.86127	0.3
123.14290	0.4
131.03471	3.0
140.11147	0.3
152.99580	10.8
170.05466	0.3
233.22995	0.4
277.21747	100.0
346.11316	0.4
409.26489	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	409.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43157	0.6
56.01813	0.7
56.48767	0.6
58.02976	3.6
61.83992	0.8
73.95324	0.7
74.69930	0.9
78.95885	0.9
80.22572	0.8
152.99561	1.4
272.81287	0.8
294.28036	1.3
304.70450	0.9
305.28412	0.9
306.27963	1.9
347.30701	13.4
348.29065	14.1
391.29819	1.6
392.28192	6.8
409.30771	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46981	15.4
61.46414	14.4
61.98875	16.4
64.58904	16.5
67.27702	16.5
78.95933	18.6
94.08773	17.6
107.09248	15.9
116.92912	17.1
152.99570	35.1
175.62007	17.2
218.20151	16.6
242.22099	100.0
282.44891	17.2
340.02972	17.8
410.12991	32.2
410.23981	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	410.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61755	9.6
59.35292	9.7
78.95920	16.3
79.82789	12.1
99.92559	20.4
107.99614	12.3
108.03001	11.1
121.60706	10.3
152.99586	16.3
225.93849	11.6
226.31905	10.9
241.21854	16.5
242.22087	100.0
410.13556	27.4
410.24100	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	411.1274
Annotation	t(6)a
Peak:m/z	Relative Intensity
55.17359	0.6
59.01380	3.7
60.59914	0.5
72.00909	13.5
73.02954	0.7
74.02471	16.1
75.23595	0.5
79.52118	0.6
89.02468	0.7
99.68319	0.6
100.00407	48.7
100.04044	3.7
118.05103	100.0
131.07111	1.4
144.03032	32.4
160.02673	4.6
204.67094	0.8
216.10443	0.7
270.10980	0.7
411.12823	6.5
411.18350	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04788	2.8
61.34186	3.1
61.98831	3.5
62.39685	3.2
64.10617	3.0
75.27425	2.9
78.95918	4.8
81.81338	3.8
92.23081	3.5
96.96953	24.3
98.93899	3.4
99.92596	62.8
100.93359	5.9
114.93410	6.1
115.92072	42.3
116.92858	97.3
120.57506	3.3
123.27966	3.2
188.42749	3.2
201.11343	18.0
257.07129	14.7
271.05338	4.2
271.08542	4.9
293.21335	13.6
299.08118	16.0
313.23883	25.5
322.05261	25.8
352.32635	3.4
393.14264	5.3
411.14874	100.0
411.20743	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	411.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62770	0.5
57.03444	2.8
59.01382	11.6
68.99807	0.7
69.03443	0.5
71.01372	10.3
71.05009	4.2
71.16566	0.4
72.99286	1.2
73.02953	1.1
74.52961	0.6
75.00863	9.2
83.01347	0.5
85.02946	11.8
87.00877	4.2
87.04528	0.9
89.02415	5.1
91.03976	0.9
93.03438	0.6
95.01387	3.4
96.95976	0.6
99.00876	4.3
99.04521	14.4
101.02402	3.8
103.00378	0.9
109.02873	0.7
113.02445	20.4
115.00343	1.0
115.03997	6.5
117.01926	0.9
117.05564	24.1
125.02399	0.8
129.01927	1.1
161.08194	100.0
163.49089	0.5
175.02502	1.1
201.37257	0.6
209.91499	0.5
231.05150	2.4
249.06157	56.8
267.07205	3.5
267.10864	1.2
293.12515	0.8
309.11969	0.7
311.32285	0.5
367.12387	1.2
411.15140	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	411.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.5
57.03452	3.6
59.01100	1.2
59.01382	20.9
69.88537	0.8
71.01006	1.6
71.01377	33.4
73.02940	20.7
75.00896	1.1
75.13106	1.0
83.01385	6.0
85.02941	15.8
89.02440	8.7
95.01361	1.8
97.02911	1.2
99.00877	7.5
101.02439	38.3
106.29823	0.9
113.02441	17.6
115.04001	1.8
127.04087	1.0
143.03426	1.1
159.02997	1.7
161.04549	7.8
269.16086	1.1
279.14502	27.1
375.16550	2.1
411.18759	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
59.34233	1.2
69.03389	1.0
71.01366	14.2
73.02940	17.5
78.76736	1.2
83.01379	3.0
85.02993	4.6
89.02431	6.0
94.27731	1.1
101.02438	20.1
113.02455	10.4
119.03458	2.1
126.51949	1.1
134.02679	1.2
134.03734	1.6
137.09702	7.2
143.03510	1.7
160.01691	3.0
161.04565	2.5
175.03951	9.4
190.75140	1.4
224.33040	1.1
411.08502	1.4
411.16321	4.5
411.20874	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	411.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.6
59.01381	100.0
71.01373	19.2
73.02941	38.8
73.03354	1.4
76.78164	0.7
83.01379	7.1
85.02955	4.9
89.02441	10.8
92.22536	1.0
95.01379	1.3
101.02438	33.7
111.74832	0.7
113.02424	13.2
119.03490	1.7
119.14104	0.8
131.03476	3.0
137.09703	11.6
143.03510	1.2
149.04526	3.0
161.04549	9.0
189.12825	1.1
203.05588	0.9
216.00302	0.8
221.06561	1.2
411.21103	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38019	1.0
59.01381	100.0
71.03757	1.2
79.46710	1.4
82.33853	1.1
92.23162	1.3
95.77488	1.2
106.60664	1.2
112.77651	1.2
134.52386	1.2
149.88336	1.4
177.66638	1.5
244.45523	1.4
305.95493	1.5
426.77609	1.4
428.05029	1.5
432.04718	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	Unknow
Peak:m/z	Relative Intensity
50.22550	1.0
51.17569	1.0
59.01383	100.0
60.58120	1.1
74.43867	1.0
94.74885	1.2
103.09299	1.2
118.65540	1.5
119.36240	1.1
160.75673	1.3
167.81914	1.1
178.54518	1.1
221.98236	1.2
272.05389	1.2
339.86856	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	411.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
96.95987	1.1
114.09019	0.8
164.76845	0.6
180.13918	2.1
198.15051	4.3
305.26010	3.3
316.73639	0.7
333.25613	3.3
351.26563	38.5
411.20331	0.9
414.60895	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52507	39.8
56.40531	41.1
56.71624	38.2
58.16093	37.4
61.98820	100.0
67.16071	44.1
69.88428	47.2
190.41534	55.8
412.17139	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	412.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50312	3.2
52.42389	4.0
52.42804	3.6
54.01204	3.7
57.80952	4.7
59.01384	100.0
61.98802	4.2
91.50137	5.4
101.01954	3.8
122.31485	4.3
352.24878	9.1
376.21844	5.7
379.07086	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	412.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19420	69.4
60.67014	82.2
61.10233	86.1
62.39336	75.6
62.91819	71.3
67.94399	70.5
80.46343	79.6
118.89954	84.1
122.89673	86.3
195.52737	98.1
260.71024	83.1
288.65356	88.7
306.84967	93.3
339.50650	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.99835	76.0
68.15938	100.0
75.45488	66.0
75.76726	69.2
112.43497	89.1
209.44580	88.5
309.62024	85.8
320.16437	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	413.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07130	0.7
57.03436	1.0
57.68721	0.9
59.01375	20.9
63.30479	0.8
71.01027	1.0
71.01375	29.6
72.99300	4.3
73.02932	4.3
75.00867	12.4
77.49731	0.9
78.10049	0.8
80.04781	0.9
83.01359	1.5
83.67878	0.9
85.02937	26.0
87.00864	12.0
89.02419	11.3
95.01385	6.5
99.00860	12.4
101.02432	12.8
101.78650	0.9
103.00367	3.9
113.02441	55.4
117.01915	2.3
119.05012	26.6
125.02416	1.2
129.01932	1.8
131.03423	1.7
134.91437	1.1
145.02943	24.3
161.04553	4.4
163.04010	33.0
175.02443	2.2
207.05112	3.7
235.11871	11.4
237.07652	2.1
249.06194	8.7
267.07227	100.0
328.13739	4.2
367.16101	27.6
413.10907	93.1
436.49075	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1093
Annotation	Futalosine
Peak:m/z	Relative Intensity
52.82813	0.9
55.52193	0.9
57.03445	1.0
59.01380	11.4
59.89125	1.0
59.99238	0.9
71.01369	12.5
72.07494	1.0
72.99280	1.7
73.02957	1.4
75.00872	8.0
85.02943	18.4
87.00869	6.4
89.02442	5.8
93.03421	2.0
95.01386	2.5
98.47325	1.1
99.00880	7.8
103.00459	1.0
110.56364	1.3
113.02428	34.0
116.07099	1.0
117.01869	1.9
119.05004	22.9
121.81356	1.1
137.02406	5.9
145.02930	15.5
163.04001	40.1
175.02440	1.5
207.05054	1.6
212.08296	2.3
231.05112	1.4
237.07735	1.8
241.07205	1.4
249.06151	15.5
255.08893	21.9
257.09299	1.1
260.48889	1.2
267.07208	53.2
299.52127	1.0
375.13107	13.0
413.10873	100.0
413.20258	5.6
418.56079	1.1
434.91437	1.2
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	Futalosine
Peak:m/z	Relative Intensity
57.96946	0.8
59.01106	0.9
59.01384	15.5
61.69094	0.7
63.75031	0.7
66.40144	0.7
71.01060	1.1
71.01381	16.0
71.59495	0.8
72.99296	1.6
74.37212	0.8
75.00862	11.4
81.82545	0.8
85.02946	19.6
87.00874	7.9
89.02417	5.8
91.04044	0.9
91.76013	0.8
95.01372	3.7
96.91453	0.8
98.45632	0.7
99.00870	8.7
103.00358	1.2
113.02442	34.7
115.00335	1.5
115.05312	0.8
117.01923	3.7
119.05019	39.3
125.02442	2.0
128.77855	0.8
129.01918	1.6
145.02953	18.6
163.04015	49.2
167.35349	0.9
175.02415	1.5
191.03587	1.1
207.05089	1.8
237.07681	1.5
249.06218	15.4
267.07242	71.0
413.10944	100.0
417.86411	1.0
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
59.01382	19.4
61.38435	1.7
71.01389	14.0
72.99288	2.2
73.02923	2.0
75.00874	11.8
79.81046	1.4
85.02946	20.5
87.00864	7.8
89.02430	7.1
89.59695	1.5
90.53506	1.5
95.01409	2.7
96.96004	2.4
99.00868	8.8
101.02454	3.9
103.00349	2.6
103.45417	1.5
113.02450	40.1
119.05045	19.4
123.04487	2.8
125.02415	14.1
137.02406	2.4
145.02951	18.6
150.85956	1.8
163.03999	29.1
165.05534	3.4
167.03471	28.0
169.13426	2.4
175.02524	2.4
191.03551	7.2
193.05093	2.9
197.04610	3.6
209.04523	6.8
213.12625	1.8
227.13954	3.5
249.06165	6.6
251.05608	8.3
267.07239	90.2
268.37201	1.9
276.37155	2.0
308.38568	1.9
367.16071	7.5
413.10928	100.0
413.19815	5.8
413.24609	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	413.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59225	0.2
59.01381	0.5
63.40425	0.2
75.30569	0.2
81.03447	0.5
92.22630	0.4
92.72221	0.2
98.80488	0.2
108.02155	0.2
122.03667	0.3
123.08151	0.5
125.02425	5.4
125.06039	1.1
140.56854	0.2
149.02419	0.3
151.00360	0.3
165.09203	17.3
165.49519	0.2
191.07182	0.3
205.08717	0.3
209.08202	100.0
217.49559	0.2
233.08237	0.5
245.93443	0.2
251.09216	0.4
253.02185	0.2
413.14636	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	413.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00344	1.4
56.83063	1.4
57.03453	85.7
59.01384	92.9
60.82576	1.5
64.03260	1.6
71.01377	14.0
73.02940	7.5
76.40296	1.9
83.01389	2.0
85.02951	9.1
99.00876	2.5
99.04516	100.0
101.02444	35.1
113.02441	11.2
125.02438	41.5
143.03438	3.0
149.06038	2.8
159.02940	2.2
161.04514	8.3
167.03473	8.4
188.34631	2.1
209.49841	2.5
269.10355	16.5
311.11362	8.7
361.52686	2.2
413.14322	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	413.1456
Annotation	Herdmanine C
Peak:m/z	Relative Intensity
54.76333	1.9
57.03451	100.0
59.01102	3.9
59.01384	90.3
71.01381	12.7
73.02927	4.4
73.56615	2.2
74.90497	2.3
79.16718	1.9
80.72273	2.0
85.02924	4.0
99.04514	95.0
101.02445	25.4
113.02426	3.8
125.02431	45.0
143.03487	3.1
161.04538	10.1
180.81279	2.8
269.10263	12.9
311.11453	20.0
413.14618	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	413.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.7
57.03981	0.7
59.01379	12.8
70.45554	0.7
71.01379	18.3
71.30755	0.8
73.02936	13.1
75.00863	1.0
81.92703	0.7
83.01392	2.0
83.64117	0.6
85.02940	11.4
87.00864	1.3
89.02416	6.1
95.01341	1.0
97.02930	0.9
99.00877	5.1
101.02437	37.9
113.02430	14.7
119.05004	0.9
125.02408	1.0
131.03395	1.0
143.03476	1.1
145.02937	1.3
159.02972	4.5
161.04575	11.9
163.04007	1.1
180.80093	0.8
193.04938	1.0
235.11868	40.4
267.07272	5.7
292.24405	0.9
357.31494	0.9
367.16119	100.0
413.11069	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	413.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46203	1.4
59.01385	100.0
61.98835	44.1
69.03455	8.0
71.01377	10.7
72.48635	1.6
81.03465	2.1
85.02935	32.5
85.03355	1.9
97.02959	13.4
98.91367	1.6
99.04494	3.7
127.03986	2.8
133.06599	32.5
145.05048	13.5
173.74390	1.9
201.65128	2.0
263.28491	1.7
279.12466	2.7
295.22641	2.1
309.09964	1.9
310.32056	2.1
413.19836	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	413.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33674	0.3
57.03444	0.3
57.20263	0.3
57.82999	0.3
59.01382	100.0
63.33168	0.4
65.08773	0.3
68.77628	0.3
71.01040	0.4
71.01386	2.6
73.02950	0.6
73.21472	0.3
85.02936	0.6
89.02419	0.6
101.02447	2.4
113.02454	2.0
124.87688	0.4
125.02412	0.4
128.08868	0.4
159.89636	0.5
161.04689	0.4
165.09164	0.7
191.41920	0.4
209.08151	8.1
295.07227	0.4
296.30850	0.4
353.19577	4.0
371.20862	2.0
396.17224	0.4
413.21875	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	413.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	0.4
57.03447	0.8
59.01382	100.0
71.01382	11.2
73.02940	3.9
76.22143	0.3
83.01411	2.2
85.02944	6.7
89.02438	3.2
92.23113	0.4
95.01387	0.7
97.14828	0.4
99.00869	1.5
101.02437	12.3
113.02448	8.2
120.70289	0.3
153.72820	0.4
154.48659	0.4
159.03009	0.6
161.04568	1.8
166.00745	0.4
189.29846	0.4
209.08264	0.7
209.15462	2.8
306.29037	0.4
353.19797	5.2
371.20770	15.9
413.21945	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	413.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	0.4
57.03447	0.8
59.01382	100.0
71.01382	11.2
73.02940	3.9
76.22143	0.3
83.01411	2.2
85.02944	6.7
89.02438	3.2
92.23113	0.4
95.01387	0.7
97.14828	0.4
99.00869	1.5
101.02437	12.3
113.02448	8.2
120.70289	0.3
153.72820	0.4
154.48659	0.4
159.03009	0.6
161.04568	1.8
166.00745	0.4
189.29846	0.4
209.08264	0.7
209.15462	2.8
306.29037	0.4
353.19797	5.2
371.20770	15.9
413.21945	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	413.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41549	2.3
57.52245	2.5
59.01101	4.2
59.01383	100.0
66.81700	2.6
67.77336	2.4
68.79194	2.2
68.85263	2.2
71.01360	5.8
73.02883	3.5
76.07583	2.8
79.00760	2.7
80.15270	2.5
101.02444	11.9
113.02466	6.1
118.82908	2.9
130.08731	5.1
170.35838	2.4
171.48331	2.6
186.11339	3.4
209.08176	16.1
335.35104	3.0
353.19916	3.1
371.21088	20.4
413.22083	17.7
413.27679	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	413.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.8
61.98821	0.6
71.61883	0.4
72.41860	0.4
73.02943	100.0
79.95743	0.5
92.22486	0.5
101.69089	0.4
123.55038	0.4
161.06244	0.4
354.69720	0.4
413.21301	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	413.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46252	0.2
51.79261	0.3
59.01383	1.5
73.02943	100.0
91.42054	0.3
92.22537	0.3
92.43901	0.3
109.34698	0.4
117.13475	0.3
117.14511	0.3
125.09711	1.6
136.98697	0.3
187.09824	1.4
261.13434	0.7
339.17783	0.5
413.21371	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	413.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.3
59.01381	100.0
61.98834	2.3
66.37901	0.5
70.21724	0.5
71.01382	3.8
73.02943	1.4
83.05035	0.5
84.85768	0.5
85.02937	0.8
101.02435	2.5
101.31098	0.5
107.05033	1.2
113.02437	1.4
117.52793	0.6
161.04562	1.3
169.65480	0.6
268.80811	0.6
413.22067	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79739	1.5
54.14782	1.6
79.84009	1.8
83.05009	13.4
84.02174	2.8
85.04949	2.0
87.81056	1.9
89.16943	2.1
93.65151	2.0
97.93199	1.8
99.08165	6.5
125.09687	2.4
129.09215	4.4
154.97789	1.9
163.11212	3.4
167.14357	2.8
171.10263	2.9
183.13870	8.1
185.11829	14.4
191.10742	2.3
193.12329	2.9
197.11809	15.2
209.11842	100.0
211.13423	39.1
229.14520	17.8
284.77267	2.1
291.19601	4.1
309.20935	2.7
321.41190	2.1
327.21744	9.1
329.23395	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	413.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97704	1.1
59.01390	1.7
70.53235	1.2
77.76543	1.4
80.02667	2.7
81.03418	1.6
82.02276	1.2
83.05044	12.5
84.02169	1.8
99.08146	2.5
110.01283	1.5
125.09694	2.4
127.11286	1.6
129.09174	3.4
163.11349	10.5
165.12885	3.3
166.38283	1.4
171.10258	2.8
176.46371	1.3
183.13889	7.6
185.11807	9.7
191.10686	1.8
193.12335	1.9
196.68884	1.5
197.11862	14.6
209.11855	100.0
211.13383	32.6
227.12804	2.0
229.14465	18.6
233.95749	1.6
291.19705	2.6
309.20706	1.8
316.57654	1.6
327.21771	10.3
329.23322	49.9
395.27374	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	413.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98350	0.7
54.06343	0.8
60.95478	0.9
61.98840	2.2
62.04303	0.8
63.33623	0.8
66.85148	0.9
73.12369	0.7
84.50179	0.9
89.24059	0.8
89.27586	0.9
92.52560	1.0
101.06079	100.0
119.96133	0.8
122.91545	0.9
129.09244	1.2
181.12372	4.3
182.55231	0.9
183.13901	3.8
211.13416	26.1
235.87344	0.9
293.21201	3.9
311.22256	12.7
329.23178	1.4
413.29132	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	413.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98350	0.7
54.06343	0.8
60.95478	0.9
61.98840	2.2
62.04303	0.8
63.33623	0.8
66.85148	0.9
73.12369	0.7
84.50179	0.9
89.24059	0.8
89.27586	0.9
92.52560	1.0
101.06079	100.0
119.96133	0.8
122.91545	0.9
129.09244	1.2
181.12372	4.3
182.55231	0.9
183.13901	3.8
211.13416	26.1
235.87344	0.9
293.21201	3.9
311.22256	12.7
329.23178	1.4
413.29132	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	413.2913
Annotation	oscr#29
Peak:m/z	Relative Intensity
50.71739	0.7
51.26345	0.6
59.01382	100.0
59.70601	0.7
66.76867	0.6
73.25267	0.7
133.48605	0.8
147.42752	0.7
213.69933	0.8
268.16492	0.8
323.28485	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.291
Annotation	oscr#29
Peak:m/z	Relative Intensity
59.01379	100.0
73.84306	1.5
170.72334	1.3
254.89812	1.3
313.57376	1.3
346.08435	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74973	0.9
59.01383	1.9
59.47175	0.8
63.78185	0.8
69.33070	0.8
89.16788	0.9
102.05616	3.9
102.21916	1.1
135.35612	1.0
139.11285	9.1
153.12857	13.2
165.74408	0.9
183.10234	5.5
196.13383	1.8
197.11844	21.3
199.24986	1.0
200.12958	38.7
214.14513	100.0
215.12869	9.0
395.29269	1.0
404.79007	0.9
413.21146	1.3
413.29990	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	415.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
77.95216	0.4
81.03432	0.6
83.01379	0.5
106.49320	0.4
123.04527	12.5
125.02451	4.0
149.02367	0.5
167.03497	100.0
226.65186	0.4
371.09842	9.8
408.18036	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84155	0.6
59.01386	1.8
71.01384	0.9
75.31696	0.8
77.84940	0.8
85.02929	0.8
88.04082	0.8
97.30563	0.8
111.44144	0.7
123.04511	1.4
134.03745	40.8
137.02412	1.2
149.06085	34.9
167.03500	1.2
178.02733	19.6
193.05064	100.0
235.06218	0.9
329.05899	1.0
355.10226	9.4
375.73843	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.2
59.01365	1.2
59.56375	0.2
60.08390	0.2
77.78205	0.3
81.03462	0.4
83.01385	0.5
85.02916	0.3
97.64149	0.3
108.10152	0.3
123.03644	0.5
123.04512	12.4
125.02431	20.1
125.91733	0.3
139.03999	0.5
149.02441	2.3
149.06056	0.5
151.00375	1.2
163.03992	0.3
167.03496	100.0
191.03563	1.2
193.05063	9.2
209.04620	0.5
211.06129	11.9
274.17392	0.3
371.09854	6.6
394.34775	0.3
415.12518	6.1
415.21704	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1381
Annotation	Lophotoxin
Peak:m/z	Relative Intensity
51.63580	0.8
59.01383	15.7
67.03023	1.3
71.01382	10.6
71.19816	0.9
72.99302	1.3
73.02935	2.0
73.83020	1.2
74.16622	1.1
74.77778	0.9
85.02953	1.6
87.83022	1.0
89.02429	19.8
94.04142	1.1
98.02465	1.2
99.00877	31.3
99.55464	1.0
101.02444	7.7
109.04054	1.6
113.02457	9.4
117.40918	1.0
117.79359	1.1
118.05089	8.1
119.03500	8.0
127.77483	1.0
129.06723	1.1
131.03510	1.1
134.85643	1.1
142.06110	1.1
143.03517	1.0
149.04585	4.6
161.04538	2.2
171.10298	23.3
181.16885	1.0
191.05649	6.2
201.11313	6.7
204.68990	1.1
211.54173	1.0
217.65210	1.0
221.11839	1.5
233.06609	1.1
265.41260	1.1
267.10693	1.2
293.08594	1.2
298.17722	1.6
314.17236	13.6
379.16135	100.0
415.08719	1.6
415.13788	36.6
415.22031	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	415.1381
Annotation	Lophotoxin
Peak:m/z	Relative Intensity
51.63580	0.8
59.01383	15.7
67.03023	1.3
71.01382	10.6
71.19816	0.9
72.99302	1.3
73.02935	2.0
73.83020	1.2
74.16622	1.1
74.77778	0.9
85.02953	1.6
87.83022	1.0
89.02429	19.8
94.04142	1.1
98.02465	1.2
99.00877	31.3
99.55464	1.0
101.02444	7.7
109.04054	1.6
113.02457	9.4
117.40918	1.0
117.79359	1.1
118.05089	8.1
119.03500	8.0
127.77483	1.0
129.06723	1.1
131.03510	1.1
134.85643	1.1
142.06110	1.1
143.03517	1.0
149.04585	4.6
161.04538	2.2
171.10298	23.3
181.16885	1.0
191.05649	6.2
201.11313	6.7
204.68990	1.1
211.54173	1.0
217.65210	1.0
221.11839	1.5
233.06609	1.1
265.41260	1.1
267.10693	1.2
293.08594	1.2
298.17722	1.6
314.17236	13.6
379.16135	100.0
415.08719	1.6
415.13788	36.6
415.22031	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	415.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	46.4
60.85809	0.7
66.91278	0.7
71.01374	25.9
73.02943	4.1
79.39861	0.7
83.01382	1.6
85.02960	6.8
87.00866	5.1
87.35466	0.8
89.02437	36.7
95.01406	1.4
97.02932	1.4
99.00896	3.0
101.02444	27.2
111.95084	0.8
113.02448	13.0
119.03490	8.4
125.02464	5.4
131.03546	0.9
143.03496	1.6
152.23663	0.8
161.04558	1.9
179.05566	5.8
218.59494	0.9
221.06583	4.2
235.08168	4.2
253.09341	4.9
263.07700	0.9
307.13501	0.8
336.37750	0.7
415.14624	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	415.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	38.1
61.98832	2.7
71.01376	23.2
73.02905	1.8
74.46109	1.6
74.86551	1.8
75.96835	1.9
85.02940	3.1
87.00871	2.6
89.02435	33.7
101.02406	20.7
113.02416	13.9
119.03486	10.0
125.02480	4.3
142.70889	2.0
144.50821	2.0
148.22136	2.0
179.05666	2.9
196.24637	1.8
204.98141	2.1
216.46599	2.0
221.06628	3.6
230.73528	2.0
249.44701	2.0
253.09268	4.3
415.14636	100.0
415.20334	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	415.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87467	0.8
57.03450	0.9
59.01104	1.7
59.01384	41.7
61.59935	1.0
71.01381	26.9
72.99299	0.9
73.02943	4.1
83.01404	3.9
85.02943	4.4
87.00868	5.4
89.02435	36.7
95.01380	1.2
97.02933	1.8
99.00843	1.1
101.02438	27.2
103.00398	1.1
113.02443	14.2
119.03473	8.8
125.02457	6.1
128.90787	0.8
131.03612	1.3
131.04614	6.3
143.03461	1.6
149.04570	1.1
154.62924	0.9
161.04578	5.2
179.05630	6.7
193.07144	1.5
221.06683	4.8
235.08250	1.5
241.54758	0.8
249.09528	0.8
253.09380	3.2
285.27347	1.0
355.12439	7.1
415.14618	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	415.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	51.7
70.25252	0.8
71.01372	33.0
72.99346	0.7
73.02948	6.9
75.00857	1.1
76.48666	0.7
80.83090	0.7
83.01387	2.0
85.02950	8.0
87.00857	5.1
89.02436	46.0
95.01355	1.6
97.02937	3.9
101.02435	35.6
103.00360	1.0
113.02441	14.4
113.03162	0.9
113.03561	1.9
115.32291	0.9
116.07170	1.5
119.03499	11.4
125.02435	5.8
131.03587	1.9
131.04619	6.6
135.02963	0.9
141.00493	0.8
143.03496	2.0
149.04559	1.9
151.87167	1.0
161.04529	5.6
179.05603	5.6
193.07137	3.3
200.90756	1.0
221.06642	3.8
235.08235	3.7
253.09354	5.6
297.11969	5.5
314.47513	0.9
355.12531	7.9
385.16071	0.9
415.14597	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	415.161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47003	0.8
56.09393	0.7
57.03451	1.2
57.54080	0.7
59.01382	40.9
71.01382	19.1
73.02940	3.4
77.31048	0.9
83.01382	1.7
85.02953	4.1
87.00902	1.0
89.02440	34.8
90.89777	0.8
95.01382	1.2
96.96026	1.3
97.06588	0.8
99.00900	1.5
101.02440	17.6
108.14395	0.8
109.02956	3.7
113.02435	11.2
119.03512	6.3
121.06612	2.1
122.03738	18.1
123.04512	13.0
128.03531	2.1
135.04538	4.4
137.06093	3.2
139.07729	1.3
140.03682	0.8
146.93771	0.9
149.09795	3.1
153.05591	4.5
157.07819	0.9
161.04547	2.0
163.04005	2.6
163.05138	8.3
165.05583	1.2
173.09723	3.6
191.10782	27.0
191.12390	1.2
211.06186	0.9
225.19228	0.9
371.09882	6.9
379.16235	1.2
407.56287	0.9
415.16162	100.0
415.21805	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	415.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18874	1.0
59.01381	100.0
59.35250	1.3
62.88764	0.9
71.01382	4.6
71.57576	1.2
85.02924	1.5
88.04039	5.0
98.02448	1.1
101.02447	1.9
112.44415	1.1
113.02446	1.8
146.03746	45.8
149.06078	2.0
151.07639	25.3
152.04762	5.8
153.31366	1.2
161.04674	1.5
161.06075	24.5
164.04784	38.9
167.07181	5.3
179.07135	95.7
355.14105	1.2
380.18243	2.0
397.20975	1.7
415.12140	5.0
415.22000	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	415.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39991	0.6
59.01381	100.0
69.40739	0.7
82.41325	0.8
86.69566	0.7
151.07631	22.4
164.04755	1.2
179.07144	1.4
186.75583	0.9
415.13516	1.0
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
55.01870	0.9
57.03457	1.7
58.85081	0.8
59.01100	1.4
59.01384	32.6
71.01377	35.5
73.02935	10.6
83.01380	6.7
85.02943	16.0
85.79118	0.8
87.00891	1.4
89.01932	1.5
89.02436	19.8
95.01387	1.3
99.00864	2.1
101.02438	30.5
111.00869	3.6
113.02435	14.8
119.03432	1.1
125.02390	1.6
131.03490	9.5
143.03500	0.9
149.04543	4.9
159.02953	1.6
161.04533	6.5
168.19402	1.2
171.45592	0.9
182.92479	0.9
195.30342	0.9
223.24153	0.8
233.06628	3.5
263.00067	0.9
265.10886	1.0
283.11884	25.3
415.16144	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	415.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67368	1.2
59.01107	2.5
59.01384	61.0
71.01381	41.3
72.99297	1.6
73.02936	20.0
85.02941	6.7
89.02438	65.6
95.01385	2.7
99.00879	100.0
99.89098	1.6
101.02448	23.3
113.02451	43.4
118.05082	3.2
119.03474	11.8
125.02418	1.8
131.03506	11.2
149.04562	30.9
161.04555	14.4
191.05611	31.1
233.06743	11.4
252.04352	11.2
277.74146	1.3
293.08850	5.3
415.10617	8.8
415.16080	94.2
415.21371	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	415.1615
Annotation	2-Phenylethyl beta-primeveroside
Peak:m/z	Relative Intensity
59.01383	51.7
66.80602	0.6
70.73806	0.7
71.01379	44.2
71.16345	0.6
72.84724	0.7
73.02943	15.7
80.77862	0.7
83.01379	1.2
85.02946	4.1
87.00882	0.7
89.02441	100.0
93.67761	0.8
97.02953	1.1
99.00875	31.8
100.03893	0.7
101.02439	29.9
112.91061	0.9
113.02431	9.6
115.04047	0.7
119.03489	5.1
125.02443	4.2
131.03499	11.5
143.03540	1.1
143.52773	0.7
146.38264	0.7
149.04550	50.1
151.32028	0.8
161.04602	0.9
179.05595	1.5
191.05647	15.4
221.06638	4.3
251.07784	6.7
251.10022	0.9
267.35397	0.8
293.08911	2.6
311.10052	1.5
326.59280	0.8
415.16147	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	415.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21471	0.6
55.01870	4.2
57.94538	0.6
59.01380	61.3
63.78360	0.6
66.48418	0.6
71.01379	3.1
71.05000	0.9
73.02908	0.7
75.00868	25.7
76.71919	0.7
80.05324	0.8
85.02908	3.4
87.00857	1.2
89.02423	4.8
99.00852	0.9
101.02417	4.6
113.02470	0.8
121.06608	2.7
129.01932	11.4
135.68257	0.7
142.87065	0.8
147.02968	4.4
161.13358	1.3
165.04033	100.0
179.05563	1.3
180.76056	0.9
207.10342	1.0
223.13411	23.7
267.12381	7.7
269.61121	0.8
283.74982	0.8
299.03891	0.8
415.16025	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	415.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21597	0.8
54.70622	0.9
55.01873	5.1
59.01381	90.3
64.19726	0.9
65.10950	1.0
71.01360	4.5
71.68950	0.9
73.88392	1.0
75.00867	18.0
85.02938	2.3
87.00885	1.2
89.02391	2.3
95.01426	0.9
101.02405	2.4
101.11205	0.9
104.18318	1.1
111.08099	1.4
113.02401	1.2
129.01927	8.7
137.82889	1.2
147.02979	6.8
155.10780	2.0
161.13347	2.0
165.02631	1.8
165.04034	54.8
172.09766	5.7
189.09122	1.4
200.12965	5.1
207.10248	1.7
223.13374	18.6
267.12375	12.6
343.21243	1.4
354.23431	1.0
387.88461	1.1
415.16028	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.72091	2.4
61.98833	4.3
62.02907	2.0
68.11418	2.2
84.52164	2.6
103.25716	2.5
103.51493	2.2
104.34608	2.2
125.09686	3.3
143.07150	4.6
144.70140	2.7
147.15240	2.5
208.53622	2.6
405.61191	2.6
415.23306	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	415.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.3
57.51227	1.1
58.02440	1.1
59.01381	88.3
59.36982	1.0
71.01374	34.8
73.02940	81.8
83.01385	22.4
83.23057	1.1
85.02960	2.3
89.02441	16.6
98.02424	2.0
99.00865	5.4
101.02438	56.2
112.94355	1.2
113.02442	13.7
118.05078	13.8
119.03505	6.0
125.02425	1.1
129.20697	1.2
129.52203	1.2
129.85478	1.4
131.03458	2.2
143.03394	2.8
149.04509	1.7
155.03473	1.7
161.04518	7.7
170.55476	1.5
182.95410	1.4
185.55215	1.1
193.12341	7.3
203.05656	1.4
209.11833	5.0
227.12874	1.9
234.16100	3.1
282.18237	9.4
323.18280	1.3
373.18613	11.6
415.19843	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16492	0.5
54.61523	0.5
55.02395	0.5
58.02454	0.5
58.02790	0.6
59.01382	39.0
67.03225	0.6
68.16541	0.6
68.67192	0.6
69.03447	3.7
71.01377	17.1
73.02933	1.1
83.01383	1.0
85.02948	4.7
89.02441	18.7
92.97657	0.6
95.01376	1.0
97.02956	0.6
101.02447	14.4
113.02442	7.7
113.73402	0.6
115.04011	9.7
119.03470	5.1
119.08687	0.7
123.08157	1.5
167.07147	2.4
173.13365	3.8
235.13341	2.5
253.05453	0.7
253.14546	0.8
386.37280	0.8
396.87939	0.8
397.18732	1.4
415.19812	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73281	1.3
57.03461	1.8
58.00613	1.3
59.01380	86.4
71.01384	36.9
80.09162	1.3
85.02940	9.3
89.02435	47.5
92.23163	1.6
95.01370	2.0
101.02433	20.6
107.08662	8.9
113.02455	16.6
119.03489	14.5
119.08588	2.1
131.03526	1.7
131.47252	1.2
146.66043	1.4
161.13354	22.4
167.03459	2.2
173.13373	13.9
179.05644	5.4
184.95181	1.4
191.14432	3.2
217.12245	1.7
235.13406	87.5
294.41547	1.5
415.14279	3.5
415.19806	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.2
59.01383	100.0
69.15470	1.0
71.01374	25.1
73.02941	24.3
79.70686	1.0
83.01383	6.7
83.62386	0.9
85.02948	7.5
87.00847	1.1
89.02441	15.5
95.01346	1.1
99.00856	1.5
101.02435	26.1
110.97305	0.9
113.02457	13.1
119.03484	4.7
161.04546	2.4
179.05664	1.4
191.69362	1.2
322.04007	1.1
329.19608	9.0
355.17712	1.3
372.11191	1.2
415.19745	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	415.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07924	0.7
50.64435	0.6
52.94803	0.6
58.77180	0.8
59.01374	7.8
62.28383	0.7
65.74176	0.8
65.90210	0.8
66.91697	0.6
71.01371	9.6
73.02940	1.6
73.04066	11.1
74.02455	3.7
76.01675	0.6
84.04539	1.2
85.02930	1.1
87.05619	0.9
88.04038	9.9
89.02438	4.5
89.03978	0.7
91.95387	0.6
95.01402	0.9
96.96005	1.6
98.02470	0.8
101.02454	3.3
102.04987	1.4
102.05605	23.3
113.02463	1.3
115.00368	1.1
119.03490	1.0
119.05025	1.0
123.04546	1.7
127.05132	2.9
128.03529	52.0
129.10350	1.7
130.08734	7.5
134.35065	0.8
140.07181	4.1
145.06192	5.6
146.04597	15.1
155.08261	4.2
155.11874	1.2
169.09892	0.8
170.04869	0.7
171.15100	1.6
172.10902	0.8
173.09265	1.4
174.22728	0.8
179.05544	1.0
185.16537	1.7
194.11867	3.0
197.13097	1.1
201.12511	0.9
211.14503	1.3
215.14110	2.8
224.17613	1.8
228.17162	1.9
242.18752	5.4
254.56674	0.7
267.18350	3.9
270.21909	6.4
281.19833	1.4
286.17807	12.0
299.11450	1.4
300.19635	0.8
301.03616	0.7
314.20886	0.9
371.23083	1.4
380.18216	1.9
397.11475	0.9
397.20929	4.6
415.13495	4.9
415.22040	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50328	0.7
54.64063	0.7
71.01379	15.2
71.20966	0.8
73.04060	14.2
88.03539	1.1
88.04040	20.4
92.45098	0.8
113.88255	1.0
114.99602	1.5
115.00357	26.5
118.05154	0.9
129.10341	9.6
130.08710	8.7
132.03014	14.0
139.08717	1.3
141.10345	1.0
155.08263	1.5
157.13475	1.2
166.08760	1.1
169.09846	7.3
186.12508	3.7
201.12511	4.2
207.15024	10.9
208.13368	1.2
224.17656	11.4
242.18790	13.7
256.20203	1.2
270.21838	2.1
281.19873	39.4
299.20911	21.9
300.19342	12.4
371.22971	2.2
406.63596	0.9
415.22031	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04201	0.6
61.03312	0.5
66.88960	0.6
74.99098	1.3
77.00661	50.6
80.12965	0.5
84.11981	0.5
84.26995	0.6
85.80298	0.6
106.75871	0.7
110.99110	0.6
111.67030	0.5
117.25486	0.6
118.89750	0.6
163.11427	0.6
235.94246	0.7
309.22379	0.8
311.95255	0.7
333.87109	0.6
337.21768	100.0
415.23175	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	415.2341
Annotation	Distigmine
Peak:m/z	Relative Intensity
59.01104	2.3
59.01382	48.0
59.81739	0.9
72.09110	1.0
75.21061	1.0
79.33291	1.0
85.91634	1.0
92.42488	1.1
117.37557	1.1
118.35217	1.1
118.79411	1.1
137.09711	2.3
139.57437	1.2
143.07108	4.5
150.31583	1.2
155.62164	1.0
219.17636	1.6
263.16547	59.1
279.19656	20.9
415.23410	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	415.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19825	0.5
55.72294	0.6
59.01383	100.0
71.01375	3.0
84.99705	0.6
85.02927	0.7
101.02429	4.4
101.46291	0.7
113.02427	1.3
222.20717	0.6
284.98181	0.6
285.32520	0.6
373.22388	4.1
399.10703	0.7
415.23495	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	415.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44327	1.6
55.01889	2.2
55.57383	1.6
59.01369	3.8
74.11917	1.8
77.58481	1.5
78.42545	1.6
84.02058	2.7
97.28587	1.6
98.02497	1.9
99.00880	33.4
116.03516	11.2
118.05088	35.2
151.83842	1.6
184.11072	1.7
197.15503	16.6
207.13834	2.3
224.16580	9.8
231.15025	6.4
249.16087	96.0
266.18777	10.3
280.12268	2.2
282.18280	32.6
383.23047	100.0
415.25708	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	415.3068
Annotation	oscr#30
Peak:m/z	Relative Intensity
54.21363	1.1
57.04674	1.4
59.01381	100.0
59.72131	1.1
74.97993	1.3
89.89545	1.4
98.05087	1.4
107.25213	2.1
126.16290	1.4
137.39243	1.5
142.32440	1.8
154.18803	1.7
246.72658	1.4
297.26929	1.5
305.78055	1.5
356.71478	1.4
415.31821	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	415.3071
Annotation	oscr#30
Peak:m/z	Relative Intensity
59.01383	100.0
69.27108	0.8
74.04531	0.9
81.21800	0.8
84.14190	0.8
87.75313	0.8
112.78656	0.8
148.23024	0.8
209.44257	0.8
228.80962	0.9
343.58810	0.8
424.08798	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38631	0.2
67.02602	0.2
72.00909	6.8
72.01287	0.5
75.40976	0.2
78.46630	0.2
81.33069	0.2
91.05525	0.3
104.96770	0.3
130.08710	0.3
147.04521	34.1
164.07176	100.0
164.85544	0.3
187.10925	0.4
217.11855	0.4
247.83549	0.3
292.13519	0.3
296.98563	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45719	0.5
56.61719	0.6
59.01380	38.6
71.01364	5.8
73.02936	1.6
75.00872	0.7
75.52696	0.6
78.03661	0.6
79.00699	0.7
85.02933	0.9
89.02422	3.4
93.98183	0.7
99.00823	0.8
101.02416	3.8
113.02439	2.5
161.04489	0.8
162.05608	8.8
174.01918	4.0
194.64017	0.7
196.06427	0.7
197.07236	1.1
205.06088	0.9
206.04509	2.8
210.07875	12.9
211.08719	6.9
213.06683	3.5
214.07309	0.7
225.10338	30.2
227.08212	1.5
237.06648	3.6
238.07486	19.5
240.05301	1.0
241.06139	3.8
241.09811	7.9
242.21626	0.8
247.63965	0.7
251.08186	3.7
253.09837	45.0
257.05652	4.5
259.07022	2.9
269.09305	10.4
269.14069	0.8
270.10126	3.0
271.07315	4.0
272.08020	3.3
272.96741	0.9
282.06375	3.4
283.93857	0.8
285.12390	0.8
286.09427	1.0
287.10413	4.1
297.08850	10.5
301.11975	18.1
316.84940	0.8
329.11444	16.4
331.17569	2.9
335.10025	0.6
373.10464	4.7
373.18552	0.8
385.10452	0.8
417.09399	100.0
419.46640	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98482	0.4
52.69538	0.4
59.01380	1.0
60.02218	0.4
70.84190	0.5
71.01379	1.0
73.02942	0.5
74.50815	0.4
75.06150	0.5
85.02923	0.5
89.02448	1.9
89.98367	0.5
100.01043	0.6
108.02161	17.3
109.02193	0.8
109.02938	20.2
151.03993	2.7
152.01143	100.0
153.01939	3.0
160.93071	0.5
162.14851	0.5
163.04028	2.3
168.28952	0.5
177.02066	0.5
204.67101	0.4
241.07150	3.2
285.06308	0.9
308.40295	0.5
413.18793	0.5
417.10416	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	417.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98160	0.3
52.59871	0.2
59.01370	0.4
60.99150	0.3
71.54641	0.3
74.03603	1.5
75.00864	0.4
79.38251	0.4
87.00858	0.6
91.01887	6.3
94.04107	0.4
95.12643	0.4
99.00896	1.3
118.05116	4.5
119.05016	44.4
130.05049	1.4
135.00890	58.8
145.02936	0.4
148.01701	0.7
153.01944	32.3
175.08386	3.8
179.70193	0.3
193.05208	0.5
196.79030	0.3
197.11818	0.8
209.11861	1.3
231.06128	0.4
255.06653	100.0
298.17178	0.7
299.12939	0.8
417.11966	43.6
417.18210	1.9
436.72394	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36919	1.5
59.01379	15.3
59.30352	1.7
61.66740	1.7
66.64233	2.1
68.62128	1.7
69.88765	1.7
71.01363	2.5
73.02908	3.0
73.21256	1.9
89.02435	2.2
89.21671	2.1
96.33915	1.8
99.00889	1.9
101.02400	8.8
103.67622	1.8
152.01140	2.9
156.96741	2.2
161.04590	3.3
207.19754	2.4
249.13379	3.2
381.17749	21.9
417.10315	4.0
417.15283	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1536
Annotation	Liatrin
Peak:m/z	Relative Intensity
54.32579	1.6
56.03043	2.0
59.01379	8.1
74.90737	2.0
79.06963	2.0
81.91428	2.4
89.20351	2.0
92.22846	4.2
101.02459	4.8
109.27390	2.1
115.07629	2.3
134.75758	2.0
158.36543	2.1
249.13467	4.7
261.20386	2.3
341.13519	2.7
381.17758	25.1
417.09811	3.9
417.15359	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79456	1.0
57.17851	0.8
59.01377	2.4
77.82561	1.0
79.05437	0.8
89.02341	0.9
123.00872	1.3
137.02434	15.3
138.82953	0.9
139.03973	0.9
151.00349	10.4
152.01079	1.6
152.04785	6.4
166.02708	83.8
167.03441	4.2
177.01903	2.2
181.05077	100.0
191.03482	1.5
192.04451	1.5
205.05194	1.2
207.06651	1.5
219.06674	1.6
354.07162	1.0
357.09985	1.4
359.11566	5.3
387.06189	1.9
387.10919	37.5
396.94211	1.0
402.13113	8.1
417.15613	91.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71251	0.7
53.72720	0.7
55.01889	1.0
59.01384	100.0
67.19095	0.8
70.38467	0.8
71.01382	31.6
73.02953	5.5
83.01385	0.9
85.02952	9.7
87.00896	0.8
89.02433	28.8
89.02949	1.3
90.16022	0.8
92.22679	1.6
95.01392	1.0
98.20461	0.8
99.00886	1.9
101.02443	22.4
107.47118	0.9
112.56195	0.8
113.02451	16.6
119.03480	10.1
143.03497	1.7
148.80945	1.0
149.45088	0.8
161.04579	20.9
177.09209	4.5
179.05589	7.5
195.10240	1.7
202.10924	1.3
255.06699	1.2
322.94354	1.0
357.15585	69.2
373.10364	1.3
417.17981	21.3
426.77942	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	26.9
62.70621	1.3
70.02987	2.1
71.01371	7.4
74.02461	1.9
87.05624	2.1
88.04034	74.0
89.02409	2.9
96.00907	32.8
96.95984	2.1
97.04055	3.3
98.02479	20.0
99.04473	1.9
99.05640	8.0
101.02448	3.6
101.07175	1.7
108.02165	10.3
109.02914	11.1
111.00811	2.0
113.02412	2.8
113.03563	31.1
114.01939	7.4
121.02965	2.0
125.02399	5.9
125.03576	1.6
126.04301	2.5
127.05121	3.3
128.03517	8.9
130.08733	3.7
131.03719	1.8
131.04596	15.6
131.07085	1.7
138.27095	1.5
145.06210	35.2
152.01161	52.1
153.01941	2.3
164.33823	1.4
166.08699	8.5
169.09875	10.6
171.04158	2.6
179.11919	2.7
183.11513	1.6
197.12932	5.8
205.09843	10.1
209.09338	5.9
212.14107	1.5
222.12520	2.8
241.12045	1.9
265.97928	1.6
276.13654	7.1
294.14499	8.7
338.13617	54.3
338.17444	2.9
355.16354	14.2
373.17261	7.0
382.16290	18.1
399.18954	26.4
417.10571	44.3
417.19934	100.0
436.62692	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	417.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98824	11.5
64.55045	4.7
66.49590	4.4
69.82108	4.3
91.03989	11.0
92.23140	4.9
95.36798	4.7
97.23082	5.5
125.09750	5.5
131.30968	4.6
139.11220	10.2
158.42760	6.0
171.10278	63.9
181.62381	6.2
221.11751	6.0
340.82654	5.6
343.24857	99.1
388.64764	5.9
417.20068	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	417.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03112	1.2
58.19009	1.3
59.01377	8.9
75.59664	1.3
77.96709	1.3
98.00087	16.1
99.00879	13.5
100.12306	1.4
107.08876	1.4
115.00400	1.6
118.20223	1.2
299.20224	6.8
301.21646	6.8
355.22855	2.8
373.23859	8.8
399.21918	6.9
417.22894	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	417.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59295	7.3
59.01377	100.0
61.98826	17.9
86.10304	9.3
88.32965	9.6
102.30344	8.9
106.95536	10.0
155.48558	9.0
221.52795	10.3
270.51132	9.6
417.24057	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	417.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
98.52112	0.3
116.02470	0.4
129.67632	0.4
154.54816	0.4
301.80533	0.4
417.21313	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48181	1.5
53.62798	1.5
53.78766	1.8
57.03449	2.8
57.54966	1.7
57.90727	1.6
59.01380	86.3
59.07551	1.7
61.17952	1.7
62.97181	1.8
63.38792	1.8
66.80306	1.8
70.61618	1.6
70.84808	1.6
71.01379	11.0
73.02945	9.4
83.01376	2.4
85.02937	4.1
92.22529	2.1
96.87284	1.8
101.02451	20.0
111.08158	16.1
113.02443	11.8
125.09702	7.9
131.64229	2.1
161.04607	2.6
165.12836	48.2
173.08179	8.4
183.13904	60.9
187.09723	4.3
193.15948	2.9
195.13881	3.1
207.08728	9.2
209.11877	3.5
367.85489	2.3
375.96344	2.5
417.21393	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	58.8
72.51383	0.9
75.81806	1.1
80.24384	1.1
88.27669	1.5
97.06580	1.6
100.49837	1.2
111.07436	2.5
111.08154	51.3
111.08927	2.2
122.19244	1.3
125.09715	57.1
169.08733	2.1
173.08179	56.5
180.06505	1.2
187.09755	50.5
247.11868	5.5
261.13391	7.8
327.38214	1.6
417.21323	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37490	1.0
59.01382	100.0
59.51320	0.8
71.01378	21.8
72.65980	0.8
73.02943	22.1
75.54903	0.8
80.97971	0.8
83.01389	6.1
85.02951	4.8
89.02438	14.4
95.01390	1.0
99.00877	1.7
101.02438	23.9
102.18658	0.9
102.96679	0.9
113.02441	10.4
118.55505	0.8
119.03473	4.5
127.11185	0.9
161.04575	4.5
179.05487	0.9
314.12820	1.0
331.21237	17.0
417.21429	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	417.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82248	3.0
59.01381	100.0
71.01381	34.7
73.02937	84.2
80.68263	2.7
80.78592	2.6
83.01397	19.6
85.02962	12.0
87.54243	2.8
89.02441	7.0
99.00850	3.2
101.02445	57.3
110.14633	3.3
113.02425	17.9
137.77579	3.4
149.04539	6.0
161.04527	14.3
195.13937	74.5
259.51443	3.4
299.83282	3.2
417.21536	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	417.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03985	2.7
56.49626	2.9
59.01385	100.0
71.01383	14.7
79.32023	3.7
85.02953	4.3
85.66618	3.2
87.00858	6.5
89.02442	8.3
96.85458	3.6
99.00865	3.5
99.04561	4.1
101.02448	16.4
108.02163	19.4
109.02934	22.8
152.01144	78.9
165.12811	24.8
207.13863	8.8
209.11812	28.0
251.12698	4.4
269.13971	47.0
312.01633	4.3
314.18558	3.4
324.74197	3.4
357.09167	7.7
417.10327	75.6
417.17633	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	417.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.2
59.01383	100.0
67.56684	1.2
68.85310	1.3
71.01375	41.5
73.02927	1.9
78.40195	1.2
81.21602	1.2
85.02963	8.4
89.02436	56.6
89.02959	2.8
90.13866	1.4
92.23103	1.8
95.01373	2.7
99.04514	32.5
101.02431	26.0
102.65945	1.5
105.62715	1.2
105.81566	1.5
113.02441	22.8
116.42108	1.6
119.03489	24.3
131.03539	2.0
143.03503	6.8
149.04477	2.0
152.01147	1.7
161.04555	6.4
163.14883	1.6
171.10262	1.9
179.05650	21.7
198.65955	1.5
237.14978	70.3
269.13846	2.0
271.07425	1.8
298.32599	1.5
311.06982	2.4
343.21204	6.3
417.12393	3.0
417.21756	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	417.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87066	1.1
59.01387	11.0
67.18470	1.2
71.01352	1.6
72.95771	1.2
75.90056	1.1
82.43011	1.1
83.05001	1.4
97.06579	1.6
101.02449	2.7
101.07645	1.3
105.52867	1.2
106.72775	1.2
111.08150	48.8
125.09714	43.8
165.12816	6.9
169.08699	1.7
173.08186	51.8
183.13858	10.4
187.09763	51.5
191.68597	1.9
219.95793	1.4
247.11868	3.0
261.13416	5.1
283.85809	1.2
411.31595	1.3
417.21326	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.7
59.19062	0.8
61.98813	0.9
67.60854	0.7
98.00088	14.6
99.00878	13.8
109.83018	0.9
115.00320	1.1
134.63232	0.9
159.67178	0.9
224.11989	1.0
299.20181	5.9
301.21732	7.0
311.23795	1.3
327.23190	1.4
355.22989	6.3
373.23920	5.7
395.92648	1.0
399.21829	4.7
417.22879	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.3
62.33462	1.1
64.34859	1.3
66.53349	1.3
72.00884	1.3
72.40919	1.3
74.03587	1.6
80.02548	2.1
81.04564	2.0
82.04099	3.0
86.61147	1.6
90.04866	1.7
94.04087	11.2
96.05659	18.7
97.67636	1.4
98.02455	2.4
99.00876	30.1
99.01451	2.3
109.06606	3.2
112.05153	1.7
116.03510	13.4
118.05099	21.0
122.03589	1.6
125.09692	12.1
163.11308	6.6
171.10255	30.1
180.13948	1.7
185.11842	10.9
197.11824	16.2
199.13351	5.6
209.11829	64.8
217.10928	2.8
224.12891	7.1
226.14410	5.5
248.14044	7.6
251.13916	5.3
266.15170	6.0
268.16672	10.3
284.16202	49.8
385.20953	100.0
417.23773	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	417.236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59025	1.0
55.01876	1.3
59.01374	1.8
60.20939	1.1
67.02985	1.2
70.20551	1.0
74.08450	1.3
77.66061	1.1
80.02548	1.8
92.88060	1.1
94.04093	8.1
96.05673	15.1
97.39855	1.1
98.02476	6.0
99.00874	25.3
106.87291	1.3
116.03522	9.2
118.05080	20.9
121.37494	1.1
125.09737	9.6
152.57410	1.1
163.11221	4.6
171.10258	24.9
180.13885	2.4
185.11815	6.6
197.11824	12.3
199.13382	2.0
207.10545	1.3
209.11832	49.0
224.12724	1.5
237.01897	1.3
248.14143	2.1
249.12140	1.7
251.13945	1.8
266.15070	2.3
268.16635	8.3
280.71893	1.1
281.82825	1.2
284.16183	36.5
357.15607	2.6
385.20953	100.0
417.23587	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	417.2499
Annotation	Erythronolide A
Peak:m/z	Relative Intensity
56.21529	0.8
56.79251	0.8
57.03451	1.3
59.01385	5.7
59.17647	1.0
71.01392	1.4
71.05023	2.1
75.00874	1.8
82.12511	0.9
83.05017	2.3
84.02129	1.2
85.02953	1.8
87.04514	1.2
89.02431	2.0
91.04008	10.7
95.05016	5.0
96.95963	1.3
97.06540	1.2
101.02441	1.7
113.06084	2.2
123.08071	1.6
125.09752	1.3
135.08145	1.2
137.37689	1.0
147.62616	1.0
165.12787	1.1
171.10275	15.4
185.11879	2.0
193.12389	1.1
197.11858	1.3
201.11320	4.3
207.71962	1.0
209.11852	9.0
209.13568	1.1
211.13403	12.4
229.14485	14.5
237.14987	6.9
245.19305	1.2
246.99437	1.0
249.14967	1.8
267.16150	2.0
289.18036	4.1
307.19070	1.8
325.20255	21.6
343.21255	100.0
417.25290	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	417.2862
Annotation	bhas#28
Peak:m/z	Relative Intensity
50.48064	0.7
59.01385	12.2
61.98837	1.5
68.34641	0.8
80.73149	0.6
88.98798	1.4
89.02406	0.7
90.42875	0.6
91.04002	4.8
98.06892	0.7
99.08134	7.4
121.10242	1.0
125.09699	1.7
135.04568	1.0
136.53346	0.7
143.18520	0.9
171.10260	10.5
175.11397	1.0
193.12347	20.4
211.13431	8.5
225.14958	33.7
230.96788	0.9
243.16029	11.2
281.04843	3.3
293.21213	2.7
299.18805	0.8
325.20209	1.1
331.63068	0.8
343.24908	100.0
352.07739	0.8
417.24991	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03255	0.6
54.46923	0.7
59.01382	100.0
75.82121	0.7
78.39473	0.7
103.74019	0.7
124.28561	0.8
218.53589	0.8
350.80411	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.318
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
72.69737	1.9
88.73206	2.0
91.01237	1.9
124.56981	1.8
141.03528	1.9
171.13882	3.7
184.13467	4.7
196.13510	3.7
198.15001	1.9
206.35881	2.1
214.14583	4.3
358.09335	2.1
358.29651	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	419.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01987	0.4
54.30113	0.6
56.04313	0.5
59.01370	2.3
74.03358	0.4
77.04081	0.5
92.23176	1.1
120.04499	0.6
122.06099	2.7
147.03267	7.1
148.04059	6.4
150.05609	0.9
164.03549	0.7
171.88670	0.5
172.11430	0.6
175.02769	6.3
176.03510	9.9
179.05881	3.7
179.82178	0.6
181.07712	0.7
190.05090	0.6
191.04912	0.6
199.08772	4.3
200.10779	1.0
206.04619	3.3
207.05402	2.5
212.10838	1.2
213.10292	1.1
215.08456	0.8
215.11905	13.4
225.06725	1.2
225.10384	2.6
226.07495	0.7
227.08272	2.5
227.11865	2.6
228.10167	0.6
236.79115	0.6
237.10355	1.3
238.07365	2.1
239.08257	1.0
240.09047	5.8
241.09874	7.4
243.07787	5.2
243.11394	2.8
253.09846	4.3
255.11343	5.8
256.09787	3.5
266.06964	4.9
267.07632	0.6
269.05725	2.8
269.09271	3.1
271.07333	2.3
271.10898	7.3
272.09113	0.7
281.09344	10.4
283.07285	0.8
284.08054	3.9
287.14981	2.4
297.08832	2.1
299.10391	6.8
307.07278	0.5
313.11942	2.7
325.08304	2.1
337.02838	0.5
343.09445	0.6
357.10928	0.9
359.08893	0.6
375.11826	2.0
419.11017	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29884	0.7
52.61856	0.8
54.48718	0.7
56.96943	0.7
59.01380	4.9
67.28507	0.8
119.06757	0.8
122.06057	1.6
147.03265	8.5
148.03978	5.6
150.05606	1.2
164.03549	0.8
175.02728	5.1
176.03532	7.9
179.05899	3.8
197.11784	2.9
199.08752	1.9
206.04626	3.5
212.10910	1.8
213.10345	1.4
214.07440	1.2
215.11893	12.8
225.10260	1.0
227.08362	1.3
227.11810	1.2
228.10442	1.3
237.10455	1.1
239.08235	1.6
240.09132	5.0
241.10030	6.4
243.07755	4.5
243.11304	3.3
244.32904	0.8
253.09856	4.6
255.07941	0.8
255.11409	4.6
256.09827	1.9
266.06976	3.5
269.05612	1.9
269.09506	1.4
271.07428	1.6
271.10855	7.3
281.09335	9.1
283.07257	1.2
284.08093	3.2
297.08759	1.1
299.10352	7.8
313.11884	1.0
325.08374	1.4
330.98132	0.9
343.08975	0.9
357.10721	1.0
375.11630	1.3
419.10995	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.12
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55093	1.0
55.01876	1.6
57.41040	0.8
59.01377	9.2
60.01308	0.9
64.50763	0.8
69.03481	1.1
71.01385	24.2
73.02941	15.2
73.19905	0.8
83.01382	7.5
85.02938	8.2
89.02433	2.6
91.62273	0.9
95.01377	2.2
97.02925	12.3
99.00867	32.7
101.02441	35.4
113.02447	13.5
124.01630	1.6
125.02432	57.4
125.03342	2.3
129.61894	1.1
131.03473	1.5
143.03477	2.0
159.02962	1.5
161.04544	13.7
177.69115	1.1
191.05629	2.3
202.08296	1.0
203.05673	4.2
293.08908	1.7
403.42767	1.0
419.11996	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	419.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29082	1.2
74.03587	20.3
75.09258	1.0
81.33402	1.0
89.95388	1.3
99.00882	16.5
118.05094	52.7
120.94076	1.1
133.06142	2.4
147.90532	1.2
151.04031	7.1
163.11255	2.0
171.10330	1.7
172.46953	1.1
175.08359	17.8
181.12347	14.3
199.13385	23.2
207.10307	18.1
210.94423	1.3
222.15007	2.0
225.11356	48.2
243.12383	57.6
245.22012	1.2
257.08185	5.1
258.16776	1.6
309.43671	1.5
401.20511	1.6
419.21503	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75806	14.5
53.85386	14.7
59.01391	86.0
66.72613	18.2
70.24352	16.1
134.64676	17.8
190.50464	17.0
198.61920	18.3
201.66318	19.7
209.22092	17.3
220.48758	20.3
257.21329	28.2
302.49924	23.5
374.20337	18.7
419.26556	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	419.221
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03781	41.0
59.01383	100.0
71.01367	50.8
123.80427	45.9
124.89062	45.5
126.90063	59.7
133.86404	50.8
136.85309	50.1
164.13765	54.2
275.78522	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	419.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
59.65847	6.7
63.00858	9.0
71.48901	6.7
86.70345	7.9
359.29947	42.4
443.04733	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	419.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28852	7.5
59.01384	100.0
60.28024	8.1
61.98819	20.8
84.30440	11.8
90.86417	8.9
98.65790	10.2
99.88254	8.8
105.17336	10.1
108.15968	11.0
178.07782	9.3
187.41580	11.7
206.03062	11.2
227.07521	12.4
254.02354	12.1
331.13397	10.0
419.21805	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	419.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.1
61.98835	1.1
80.02653	0.9
83.05016	6.4
84.02141	1.3
86.02989	0.8
91.03993	3.5
94.33262	0.8
95.63207	0.9
96.46365	0.8
96.95959	1.0
101.62704	0.9
125.09640	1.0
129.09172	0.9
163.11293	7.1
165.12875	3.7
171.10271	5.4
185.11839	1.5
190.81160	0.8
191.10663	0.8
197.11743	1.7
197.61452	0.8
209.11855	100.0
211.13333	1.4
227.12827	8.4
271.20129	0.9
327.21692	3.6
345.22769	3.9
353.67761	1.0
419.22159	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	419.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00588	1.3
59.01379	3.7
60.25284	0.8
73.02966	1.5
91.03998	1.5
92.22475	0.9
99.08144	5.7
111.08128	4.1
113.09714	2.0
129.09215	15.2
129.76743	1.1
157.08705	1.7
169.12349	5.6
171.10236	1.3
181.12364	1.2
185.11716	1.8
195.10236	7.2
197.11848	53.3
199.13361	5.0
207.43620	0.8
209.11841	7.4
215.12898	100.0
227.12894	11.8
239.16454	1.7
245.13937	11.4
291.19827	2.2
327.17786	1.4
327.21805	74.5
345.22845	92.6
419.26602	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	419.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64531	0.6
59.01377	7.4
61.98830	0.8
63.05091	0.6
81.03454	0.9
83.05020	7.1
89.02425	1.3
90.10315	0.8
91.04001	6.2
91.19730	0.7
95.05014	0.9
96.57596	0.7
96.95994	3.6
125.09732	1.1
140.45984	0.8
141.09189	0.7
160.55801	0.9
163.11255	6.2
165.12889	6.2
171.10304	5.7
181.12329	1.0
185.11806	0.9
191.10779	1.5
197.11826	3.0
209.11847	100.0
227.12889	9.0
251.16664	0.9
291.19724	3.0
327.21762	4.8
345.22809	3.0
419.17184	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13841	0.7
59.01383	100.0
61.30473	0.9
61.98832	84.9
63.50809	0.8
104.53699	1.1
145.50021	1.0
156.64867	0.9
218.56053	1.0
280.20190	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65934	1.5
59.01382	91.5
61.98834	100.0
92.00415	1.6
110.71559	1.5
175.01907	1.5
218.74257	1.7
228.94664	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	419.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98127	1.1
55.17374	1.0
59.01384	100.0
60.32196	1.1
61.98832	98.2
67.84575	1.1
81.41048	1.5
92.22297	1.2
111.04881	1.6
148.76540	1.2
216.39418	1.2
419.28430	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	419.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32452	1.0
59.01382	100.0
59.62484	1.1
61.22990	1.1
61.98834	89.0
81.31446	1.1
87.10862	1.3
128.91693	1.4
145.27870	1.4
153.27924	1.3
183.26532	1.3
442.26843	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	420.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68373	0.6
62.13068	0.5
71.01363	4.7
82.02980	5.0
85.04069	17.8
86.02473	1.6
87.05634	7.9
88.04025	5.1
89.26832	0.7
97.04018	0.7
97.61589	0.6
103.73031	0.6
111.02014	0.8
113.03546	3.4
114.88359	0.6
116.00823	0.7
127.05112	3.9
128.03528	59.9
133.06905	12.7
135.05627	3.2
145.06084	0.8
152.08273	9.5
153.06711	3.4
157.06168	51.5
159.07735	2.6
170.09309	0.9
178.06194	9.0
179.04591	7.5
184.04855	4.0
196.07275	15.1
231.44017	0.7
232.00764	0.9
268.09448	3.6
286.10419	10.2
312.14020	0.8
349.44122	0.7
402.16956	4.8
420.18130	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	420.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36321	0.8
57.13207	0.7
69.65871	0.7
71.01356	4.3
74.02457	3.7
80.91665	4.4
82.02970	3.7
85.04069	14.8
87.05626	6.3
88.04035	6.0
92.94610	0.8
102.05597	6.0
103.14599	1.0
113.03529	1.2
114.01913	1.2
118.05090	6.1
127.05093	3.7
128.02588	1.9
128.03526	57.0
130.17133	1.0
130.38597	0.8
133.06941	12.4
135.05609	4.4
152.08266	8.4
153.06631	3.7
157.06172	46.8
159.07747	1.8
178.06255	9.6
178.43121	0.9
179.04602	7.1
184.04898	4.5
196.07310	16.3
226.11725	1.2
244.12738	1.0
264.41064	1.0
268.09235	2.0
286.10614	7.1
402.16922	2.1
420.18027	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	420.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85252	1.1
58.02974	8.1
59.01378	1.9
72.00902	2.0
73.04052	2.6
91.05527	3.1
97.04072	1.4
98.02454	7.4
106.72050	1.0
109.47616	1.2
115.05109	6.6
129.10300	12.5
143.11922	1.2
147.04523	15.3
151.08783	1.7
152.07173	13.8
164.05786	1.5
164.07170	55.8
168.11427	17.2
186.12492	67.2
208.02074	1.3
210.12492	43.2
228.13498	2.5
233.16573	17.7
255.03035	2.4
277.15652	11.5
284.03519	2.0
290.18765	18.4
332.19839	2.7
376.18811	100.0
398.09387	4.4
420.21448	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	420.289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01099	5.1
59.01382	100.0
60.04430	2.8
65.77081	2.7
81.15147	3.2
82.53171	2.9
124.48135	3.1
140.32271	3.0
166.68015	3.5
183.19641	3.5
252.22954	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	421.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72748	0.5
56.24823	0.5
56.71220	0.4
57.03448	5.8
59.01379	9.7
71.01380	4.2
73.02938	1.0
75.00867	2.7
85.02956	3.3
87.00900	0.9
89.02436	2.8
95.01402	0.8
99.00874	3.5
99.04506	5.6
99.92567	6.7
100.93346	11.4
101.02435	2.9
109.06583	5.4
113.02435	7.9
115.92056	16.3
116.92847	100.0
125.02438	2.8
127.07639	16.7
140.92859	1.1
143.03421	0.7
168.68123	0.7
170.49960	0.6
171.06743	0.8
171.10252	1.1
184.91734	1.0
187.34326	0.7
197.11963	1.1
204.97115	0.7
249.06212	2.8
267.07367	4.1
299.02438	1.0
317.03629	1.0
335.04474	2.8
368.37631	0.6
375.44623	0.7
377.05487	5.7
421.04593	32.9
421.13068	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	421.1355
Annotation	Lamiide
Peak:m/z	Relative Intensity
52.04749	0.7
54.06939	0.6
57.03446	1.4
59.01380	9.8
68.99799	0.8
71.01373	7.5
72.99288	1.5
75.00876	6.1
85.02944	9.5
87.00874	4.1
89.02433	4.8
95.01382	1.7
99.00849	6.5
103.00375	0.8
103.42619	0.7
109.06577	15.5
110.50530	0.8
113.02425	18.3
115.00373	0.9
117.01907	1.1
127.07639	47.7
132.81821	0.7
145.42598	0.8
153.05569	1.5
171.06641	4.6
207.05124	1.4
231.05040	1.2
249.06146	10.0
267.07248	12.6
286.41492	0.8
306.67996	0.8
359.13684	1.0
421.13541	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1358
Annotation	10-Hydroxymorroniside
Peak:m/z	Relative Intensity
57.03200	1.5
57.03453	30.2
59.01109	1.4
59.01381	33.4
69.31994	0.9
71.01381	14.2
73.02936	1.5
75.00873	8.3
76.46944	1.0
85.02943	14.8
87.00883	4.4
89.02438	12.7
95.01362	4.3
99.00879	8.3
99.04521	32.0
101.02441	10.1
103.14867	1.4
109.06576	18.1
113.02438	29.3
117.01878	1.5
119.03481	2.3
125.02419	12.5
127.07646	45.2
129.01865	1.6
143.03453	2.0
149.02467	1.7
153.05530	1.6
161.04582	1.5
164.04826	10.4
164.05896	1.2
171.06654	3.7
179.05693	1.6
179.07141	2.0
208.03734	15.9
223.06157	39.7
249.06284	8.3
267.07257	22.1
319.13953	4.5
385.11084	1.6
419.54721	1.2
421.13382	100.0
421.48502	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60041	24.7
59.78055	20.8
61.98830	100.0
73.95792	21.7
96.96009	35.8
106.60375	24.8
132.87643	25.1
134.32039	34.9
156.44012	27.9
165.70348	26.1
172.01457	30.0
192.18410	27.1
246.82576	30.8
347.57285	30.4
421.24133	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	421.164
Annotation	Losartan
Peak:m/z	Relative Intensity
59.01376	1.9
66.41381	1.6
70.46606	1.5
82.03844	1.7
85.06615	1.8
160.03799	1.6
223.58641	2.0
361.15146	2.0
421.16367	100.0
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
50.44442	1.2
51.04340	1.4
56.23532	1.1
57.03450	96.9
59.01382	82.3
59.01684	2.6
59.39496	1.2
73.02934	1.5
77.20844	1.4
81.03470	3.4
99.04510	100.0
101.02430	21.6
125.02436	24.7
143.03487	3.4
225.64508	1.7
235.11943	9.1
245.64270	1.6
271.94370	1.9
277.12848	1.8
288.87592	1.8
319.14023	2.2
421.17004	6.5
444.08521	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	421.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36877	1.3
54.13341	1.2
57.93157	1.2
59.01107	2.0
59.01382	44.0
71.01375	23.8
73.02948	15.4
75.00858	1.6
83.01384	2.0
85.02942	11.8
87.00855	3.0
89.02425	13.2
95.01385	1.3
99.00867	16.6
99.04536	1.7
101.02438	20.2
113.02440	22.4
125.02383	2.0
127.17130	1.4
131.03479	2.1
153.92117	1.5
159.02902	1.6
161.04590	11.9
171.10242	14.0
206.96390	1.7
211.13455	3.2
215.12857	6.5
221.11732	2.4
223.13316	2.3
225.11198	3.4
233.11801	6.2
239.12856	1.6
247.11922	12.2
251.12735	3.2
251.92868	1.5
269.13965	2.2
289.12836	2.9
359.16992	5.8
379.16174	16.6
403.16071	17.6
421.17120	100.0
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
54.21861	1.1
57.03451	98.9
59.01380	79.7
68.32516	1.4
71.01373	17.6
73.02932	3.3
75.00842	2.3
85.02940	9.2
89.02433	20.0
99.04508	100.0
101.02430	32.1
109.06560	3.0
113.02442	28.9
119.03501	8.0
125.02428	43.2
127.07612	11.3
128.16484	1.4
131.03474	2.0
143.03476	8.8
145.11105	1.6
149.04553	2.8
150.06721	1.9
154.22493	1.5
161.04553	10.0
179.05597	2.1
180.44164	1.8
190.47026	1.6
221.06641	2.7
245.83083	1.8
267.07196	1.8
271.45059	1.7
296.55411	1.7
319.13986	10.0
421.13297	18.6
421.17310	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	421.172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05502	1.3
57.33546	1.3
59.01383	89.7
65.44530	1.3
71.01382	23.5
72.99304	1.4
73.02930	3.7
75.50665	1.4
83.01372	2.5
85.02941	9.8
89.02432	20.8
94.50218	1.5
99.00892	1.5
101.02447	28.7
113.02422	15.0
119.03494	9.9
120.44076	1.4
161.04565	13.4
165.64494	1.4
223.06068	1.8
263.11377	100.0
356.22275	1.7
385.11447	1.9
387.84836	1.7
412.37204	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	421.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52951	1.1
59.01382	54.6
68.51583	1.0
71.01377	23.7
73.02943	19.2
80.38181	1.1
83.01386	2.4
85.02935	5.7
87.00865	1.3
87.73740	1.1
89.02440	26.8
95.01360	2.1
99.00869	36.3
101.02436	19.6
103.30078	1.1
103.38026	1.2
113.02452	18.7
119.03513	9.5
119.47286	1.2
127.39362	1.3
131.03479	4.9
149.04549	8.3
159.03020	1.3
161.04539	8.0
161.76668	1.2
167.57060	1.3
171.10228	2.0
179.05611	1.7
190.63457	1.1
191.05603	9.3
192.42625	1.1
203.05551	1.7
204.06943	1.2
205.12334	1.5
211.13446	6.4
215.12825	8.9
223.13510	1.8
225.11205	1.9
227.12883	1.8
233.11832	11.3
235.13599	2.2
239.12833	4.9
243.88303	1.4
247.11906	5.6
251.12851	8.4
263.12820	1.7
269.13928	2.8
289.12775	1.6
315.79245	1.5
379.16177	14.1
403.16125	13.6
421.17178	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	421.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45577	1.4
52.98339	2.0
54.09342	1.6
59.01382	100.0
61.98815	2.4
66.84068	1.8
69.09550	1.7
70.96236	1.7
71.01376	22.5
71.41766	2.0
72.00892	1.9
73.02950	7.3
73.04060	3.2
74.02499	3.3
74.74141	2.0
85.02956	13.6
89.02439	3.1
89.03559	11.0
93.03447	11.1
94.43422	2.2
99.00906	2.5
101.02430	20.9
101.06087	8.2
113.02437	18.5
130.08696	3.5
132.04170	9.7
134.03775	3.6
137.02469	16.6
146.08249	18.6
149.06158	2.0
161.04570	14.5
175.04703	3.4
178.02808	3.5
180.06596	2.9
193.05109	15.6
217.11928	2.7
263.11377	70.4
277.12323	17.7
377.18103	3.3
413.10727	8.3
421.16544	3.9
421.21182	9.0
429.14142	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	421.2083
Annotation	1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01880	1.1
59.01383	60.6
60.58932	0.5
69.95190	0.5
71.01380	37.7
72.99318	0.7
73.02943	11.2
83.01377	3.1
85.02934	6.5
87.00851	1.0
89.02438	63.5
95.01384	1.1
97.02940	0.9
99.00874	15.4
101.02440	32.8
113.02444	17.4
115.04005	0.8
118.92942	0.6
119.03490	14.3
125.02417	2.5
131.03508	5.6
143.03497	1.1
149.04556	13.0
161.04521	1.4
179.05618	3.3
191.05609	4.0
194.02051	0.6
221.36774	0.7
221.64943	0.6
251.07623	1.1
285.90097	0.6
289.16614	2.9
293.08777	1.1
421.20859	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	100.0
59.01383	88.3
59.01683	2.5
61.98803	2.3
62.17274	2.3
71.01388	10.5
73.02915	2.5
73.28767	2.1
77.88776	1.8
78.95914	4.3
85.02951	3.8
85.41229	2.4
86.06390	2.3
89.02508	2.3
95.98017	2.5
99.00912	2.8
99.03894	4.0
99.04511	82.6
101.02437	37.3
108.83481	2.6
113.02426	9.1
118.53690	2.6
125.02425	44.1
149.13971	2.1
161.04562	3.4
277.16510	21.0
319.17694	10.3
421.20248	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	421.2085
Annotation	1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01384	62.3
63.97788	0.8
65.38761	0.9
68.72420	1.0
71.01018	1.7
71.01379	38.0
73.02934	15.0
77.72955	0.9
81.98001	0.9
83.01361	1.8
85.02965	8.9
86.17834	1.1
89.02442	50.2
92.22477	1.1
95.01365	4.3
99.00874	51.0
101.02448	22.8
113.02450	34.3
119.03471	14.0
131.03456	5.8
133.80772	1.1
137.66229	1.0
143.03448	1.2
149.04559	14.5
161.04572	9.9
179.05602	2.4
191.05641	18.7
233.06644	1.9
289.16394	1.5
356.64816	1.1
421.20554	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2368
Annotation	2,2-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate
Peak:m/z	Relative Intensity
57.11851	0.6
59.01386	1.8
61.65825	0.7
64.26511	0.6
68.74387	0.7
71.40027	0.7
71.48099	0.7
78.95891	10.3
80.96526	5.7
89.12008	0.9
110.97772	1.7
110.98525	41.1
115.67456	0.8
123.08277	0.8
139.65509	1.0
152.99564	5.4
167.01131	1.7
185.02211	100.0
239.29233	0.9
253.19107	1.1
253.21756	32.4
421.23602	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	421.2367
Annotation	2,2-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate
Peak:m/z	Relative Intensity
58.91008	1.2
78.55552	1.8
78.95889	15.3
84.73329	1.3
86.45495	1.4
92.22479	2.4
110.98515	49.1
111.19178	1.5
152.99590	8.3
160.31125	1.5
167.01128	9.1
185.02214	100.0
189.55556	1.5
253.21765	34.5
283.89734	1.6
291.27075	1.5
421.23605	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	421.2367
Annotation	2,2-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate
Peak:m/z	Relative Intensity
52.50809	0.8
56.77517	1.0
59.01365	1.4
59.15649	1.0
71.01378	1.3
78.95904	15.5
82.71213	1.1
89.61264	1.0
96.82575	1.0
96.83362	1.1
110.98520	59.3
118.43824	1.0
140.31305	1.0
152.99571	6.0
167.01140	14.3
185.02200	100.0
190.51718	1.0
253.21751	29.8
277.21649	1.2
421.23648	59.5
421.29401	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	421.2369
Annotation	2,2-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate
Peak:m/z	Relative Intensity
50.05886	3.7
59.01385	18.1
75.66244	3.4
115.94502	4.3
134.74612	4.1
159.29890	3.8
224.80913	4.1
253.21736	100.0
293.21338	5.9
421.23605	19.5
438.47647	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	421.2367
Annotation	2,2-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate
Peak:m/z	Relative Intensity
71.87450	8.1
72.22889	7.2
82.89259	7.8
96.00696	9.2
129.18069	8.0
151.29440	9.0
170.59258	8.5
173.19479	8.8
211.71344	8.6
253.21812	100.0
293.21198	16.1
421.23422	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	421.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.5
55.91508	1.0
57.03441	1.0
59.01384	100.0
60.50315	1.0
63.39460	1.0
63.65635	1.0
67.61913	0.9
67.83143	1.0
71.01381	33.4
73.02941	19.5
82.74636	1.2
83.01398	5.7
85.02955	14.3
87.49174	1.1
89.02439	40.5
95.01364	2.4
96.95978	1.5
99.00880	38.4
99.80139	1.2
101.02445	35.5
113.02443	27.7
114.74120	1.1
119.03516	8.3
131.03461	2.6
149.04532	8.0
159.02933	1.3
161.04535	6.0
161.25465	1.1
179.05702	2.3
179.12836	1.3
191.05663	13.0
192.49014	1.1
233.06609	1.6
243.40785	1.1
272.70535	1.3
289.09247	1.2
389.32504	1.3
399.37540	1.4
403.23300	1.7
421.20483	46.0
421.24573	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	421.245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.8
57.03447	11.4
59.01382	57.5
59.92326	0.8
67.46915	0.8
71.01378	13.8
73.02956	6.5
75.00860	1.1
77.39166	0.9
78.27898	1.0
83.01390	5.6
85.02944	27.6
85.03432	1.6
89.02446	4.0
95.01410	1.0
99.00883	2.0
99.04527	3.9
101.02434	18.6
105.08533	1.0
105.63088	1.0
111.00890	5.9
113.02452	7.4
120.14913	0.8
125.02475	1.5
129.01945	8.0
161.04578	2.3
176.61469	1.0
205.03548	8.5
215.16525	1.8
284.54660	1.2
361.21518	0.9
403.23801	1.6
421.24658	100.0
444.47864	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	422.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98815	0.9
63.75267	0.4
79.95736	0.8
96.96001	94.2
207.06952	1.0
251.20059	0.6
404.30740	0.6
422.25870	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	422.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	0.6
63.56068	0.6
71.32073	0.4
79.95737	1.1
81.53271	0.5
81.53754	0.5
82.34599	0.5
96.96003	97.0
116.04604	0.5
326.43610	0.6
422.25885	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11447	0.4
61.98834	2.5
80.96500	2.7
92.22487	0.8
145.34015	0.7
147.63698	0.6
148.13641	0.5
157.55963	0.5
162.10526	0.8
163.11281	84.3
191.89003	0.7
194.09590	0.6
198.06689	0.7
245.56140	0.6
246.18629	63.3
422.30688	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13300	0.5
50.36772	0.5
58.23669	0.5
59.01378	1.2
61.98854	0.8
66.81901	0.5
72.97865	0.5
74.00937	0.6
80.96532	1.0
85.02879	0.6
86.79586	0.5
106.14275	0.6
163.11288	92.3
179.10776	2.1
194.09467	0.7
200.66618	0.6
235.24899	0.6
246.18633	67.3
253.21770	0.6
254.22177	1.3
274.06989	0.6
289.37027	0.6
322.30228	0.6
337.21667	1.0
417.67758	0.6
422.30731	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08881	0.3
55.70492	0.3
55.71667	0.4
57.03448	2.8
59.01377	8.1
67.01900	0.4
71.01375	6.7
71.23756	0.4
72.99290	1.4
73.02943	0.7
75.00859	6.7
83.05016	2.6
85.02938	8.6
87.00864	4.1
89.02434	3.1
93.03443	0.5
95.01378	2.7
99.00877	6.7
99.04520	2.2
101.02449	0.9
101.43295	0.4
103.00394	0.7
109.06541	0.6
111.00899	0.4
111.08145	55.5
113.02439	11.7
115.00346	2.0
117.01917	2.2
124.38374	0.4
129.01936	0.9
129.09186	1.7
136.21335	0.4
155.15115	0.4
173.08180	52.8
175.02412	0.6
231.05031	1.6
243.12175	0.5
247.11833	4.0
249.06177	8.0
267.07196	0.9
361.15030	0.5
363.16403	0.8
423.15088	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56511	2.0
52.07599	1.8
57.03447	5.4
57.71819	2.3
59.01371	9.8
62.66531	2.0
89.02438	3.5
99.04527	9.1
101.02412	4.6
111.08134	9.6
134.37959	2.7
173.08183	17.1
218.69177	2.5
222.21823	2.7
243.12306	5.3
423.18423	100.0
445.63046	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	423.1878
Annotation	Lys-Asp-Tyr
Peak:m/z	Relative Intensity
51.34497	0.8
54.09125	0.6
55.54000	0.8
57.03445	1.3
59.01381	100.0
69.44151	0.8
70.71693	0.8
71.01379	6.9
71.01723	0.9
73.02958	3.6
79.67382	0.8
83.01386	1.5
85.02953	6.6
87.00863	3.1
89.02418	1.8
97.02952	1.3
99.00870	1.5
99.04552	1.0
101.02420	9.2
113.02461	7.4
140.00552	0.9
161.04512	1.8
224.11081	0.8
249.13420	6.8
271.58768	0.9
289.13013	1.3
363.16647	36.4
381.17624	18.1
423.18845	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	423.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49508	1.1
51.69257	1.1
51.71047	1.1
54.06519	1.1
55.38807	1.2
57.03451	87.6
59.01381	100.0
59.72356	1.4
69.87459	1.4
71.01385	17.7
73.02947	10.0
73.77618	1.2
81.03455	1.6
83.01387	5.7
85.02950	7.1
89.02409	1.7
94.30765	1.2
99.00866	2.5
99.04510	89.5
101.02443	45.7
102.77603	1.2
102.81839	1.7
113.02443	14.5
125.02431	38.3
137.16780	1.3
138.55684	1.4
143.03537	5.7
144.56374	1.3
159.02908	1.9
161.04524	6.4
181.72253	1.6
208.25737	1.7
249.13373	11.9
277.45557	1.5
279.14539	13.5
291.14307	2.0
321.15494	11.5
381.17734	9.9
387.87146	1.6
423.18710	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	423.1876
Annotation	Lys-Asp-Tyr
Peak:m/z	Relative Intensity
57.03439	0.7
59.01379	45.6
62.18922	0.5
71.01024	0.9
71.01375	19.4
73.02943	16.0
83.01382	3.3
85.02941	8.6
87.00865	0.9
89.02439	6.1
96.95957	0.9
99.00871	6.9
101.02438	29.7
113.02428	14.2
125.02442	1.3
125.09698	10.0
127.18501	0.6
130.08737	1.0
131.03470	1.1
143.03497	1.2
159.02991	4.0
161.04535	13.3
187.09761	13.2
231.12454	1.3
247.82375	0.8
249.13449	26.6
291.14517	1.4
381.17648	17.7
423.18735	100.0
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	Unknow
Peak:m/z	Relative Intensity
54.95173	1.4
57.03453	98.8
57.10711	1.5
59.01380	88.1
59.01685	2.8
64.56454	1.5
71.01375	13.5
71.75271	1.8
73.02950	7.5
75.00822	1.6
76.93015	1.7
85.02932	8.6
89.02444	8.2
91.32823	1.7
91.33425	1.6
92.77725	1.6
99.00867	2.4
99.04509	100.0
100.73397	1.8
101.02441	38.4
108.60852	1.7
109.04954	1.6
113.02414	17.7
125.02435	43.6
127.07610	4.3
143.03503	6.6
150.03082	1.8
161.04634	6.2
173.08170	2.4
178.75781	1.6
205.02406	1.7
231.07718	3.8
231.35168	1.9
232.09917	2.1
242.08221	4.0
247.07190	12.1
257.05716	8.4
257.09085	2.2
279.14438	14.5
285.08847	13.0
301.08243	2.7
311.06717	3.8
319.09280	3.3
321.15591	25.1
361.18802	3.9
363.16644	4.3
405.09552	2.5
423.10168	57.2
423.19122	35.0
428.84921	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	423.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95173	1.4
57.03453	98.8
57.10711	1.5
59.01380	88.1
59.01685	2.8
64.56454	1.5
71.01375	13.5
71.75271	1.8
73.02950	7.5
75.00822	1.6
76.93015	1.7
85.02932	8.6
89.02444	8.2
91.32823	1.7
91.33425	1.6
92.77725	1.6
99.00867	2.4
99.04509	100.0
100.73397	1.8
101.02441	38.4
108.60852	1.7
109.04954	1.6
113.02414	17.7
125.02435	43.6
127.07610	4.3
143.03503	6.6
150.03082	1.8
161.04634	6.2
173.08170	2.4
178.75781	1.6
205.02406	1.7
231.07718	3.8
231.35168	1.9
232.09917	2.1
242.08221	4.0
247.07190	12.1
257.05716	8.4
257.09085	2.2
279.14438	14.5
285.08847	13.0
301.08243	2.7
311.06717	3.8
319.09280	3.3
321.15591	25.1
361.18802	3.9
363.16644	4.3
405.09552	2.5
423.10168	57.2
423.19122	35.0
428.84921	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	423.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.6
57.03447	18.9
59.01382	100.0
59.75998	1.5
68.10203	1.6
71.01375	37.4
73.02935	20.4
75.00861	2.5
83.01382	7.4
85.02938	24.6
85.24042	2.0
87.00885	2.6
89.02454	11.5
95.01384	2.4
96.96070	1.7
97.02975	2.5
99.00856	7.3
99.04512	12.3
101.02435	43.7
111.00884	1.9
111.08135	3.5
113.02449	40.6
125.02427	9.4
127.86747	1.9
143.03529	3.8
145.07657	3.2
159.02942	3.1
161.04564	17.7
165.05560	2.5
173.08214	3.0
173.11826	3.2
174.27487	1.8
181.41808	1.9
199.06026	3.1
225.11276	2.0
243.12344	3.1
249.13550	19.4
310.26883	2.2
321.15649	2.9
363.16547	54.1
363.20654	2.7
381.17664	57.8
386.00070	2.2
423.18768	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	423.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.5
57.03424	0.8
57.61740	0.7
59.01104	0.9
59.01384	17.0
71.01378	23.5
73.02947	17.0
73.48979	0.7
78.40980	0.7
83.01386	5.8
85.02941	15.1
89.02425	5.9
95.59843	0.7
97.02960	1.5
99.00871	3.8
101.02444	39.4
113.02443	12.8
115.03997	0.8
120.93940	0.8
131.03484	0.9
142.43619	0.8
147.35652	0.8
151.80353	0.7
159.03052	1.3
161.04539	5.4
161.29164	0.8
234.76845	0.8
291.18158	22.3
405.78583	0.8
423.22443	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2242
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
54.06157	0.7
55.01897	1.0
56.68359	0.7
57.03451	1.2
59.01106	1.1
59.01381	16.3
59.41539	0.6
61.75076	0.7
61.97620	0.7
61.98838	1.0
65.05044	0.7
71.01379	20.5
71.01740	1.6
73.02946	15.4
83.01369	3.9
85.02939	10.5
89.02425	8.0
95.01373	1.8
97.02941	0.8
97.51156	0.8
99.00854	6.1
101.02436	38.0
112.01701	0.9
113.02435	11.8
146.07184	0.8
154.86000	0.9
159.03079	1.6
161.04549	6.3
166.83369	0.8
291.18158	14.8
423.22394	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	1.2
59.01379	21.5
61.98844	1.6
71.01382	30.0
72.75034	1.0
73.02940	19.3
76.59438	1.2
77.35751	1.3
83.01395	5.5
85.02946	12.6
87.00838	1.7
89.02433	6.8
99.00874	5.9
101.02439	39.6
109.21833	1.3
113.02459	16.5
136.34714	1.4
143.96271	1.5
148.09337	1.3
156.11870	1.7
159.02950	1.7
161.04568	6.2
179.60573	1.4
186.75302	1.3
232.24757	1.4
272.39923	1.3
291.18167	26.4
423.22403	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.98827	1.2
62.31279	1.0
63.07633	0.9
63.49858	0.9
64.39610	0.9
71.01341	1.0
75.58621	0.8
101.02425	1.4
121.02985	1.4
154.19054	1.2
180.54839	1.1
363.20322	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	423.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17551	0.3
78.95895	0.8
110.98514	2.6
125.84380	0.3
137.76801	0.3
152.99600	0.4
167.01123	0.7
185.02191	2.3
255.23311	100.0
423.25241	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	423.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24065	0.4
57.27964	0.4
58.06630	0.3
66.51199	0.4
78.95899	6.1
88.95737	0.4
92.23190	0.4
94.34479	0.5
110.98533	7.4
127.07459	0.4
132.96181	0.4
167.01161	10.4
185.02219	2.0
225.86215	0.5
255.23309	100.0
375.34842	0.5
423.25220	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	424.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56711	0.2
56.08641	0.2
59.01378	0.5
62.93786	0.2
67.04711	0.2
71.01368	0.4
73.02950	1.4
89.02429	0.6
89.78642	0.2
101.02438	12.0
110.09736	0.6
115.07641	1.0
130.08731	100.0
141.69133	0.3
149.04611	0.4
152.10898	0.3
172.09792	1.5
191.05640	0.4
194.11862	0.2
202.10860	12.4
214.10883	0.4
228.14731	0.3
232.11836	0.4
289.98785	0.3
293.08820	1.3
352.16071	0.3
424.12543	0.4
424.18365	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	425.167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21232	0.8
51.49514	0.8
59.01382	12.1
59.13448	0.8
71.01385	13.7
73.02950	1.3
85.02955	1.6
87.97578	0.9
89.02436	17.8
95.01382	1.3
99.00854	9.0
99.62308	1.0
100.07665	0.9
101.02430	12.9
106.03162	0.9
113.02448	9.7
113.06057	5.1
119.03503	7.1
131.03534	1.2
131.07150	11.8
150.74011	1.0
155.01215	1.2
176.87552	1.0
181.01656	1.0
209.09845	1.1
293.12460	44.5
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	425.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17403	0.3
56.01807	0.3
57.11185	0.4
58.23589	0.3
58.53916	0.3
59.01382	100.0
60.21586	0.3
61.98843	1.0
89.30843	0.4
91.34232	0.4
108.79898	0.4
113.24467	0.4
216.09038	0.5
255.72298	0.5
291.19662	4.7
293.21362	2.3
349.25159	0.5
425.15289	0.5
425.25693	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99456	0.5
59.01378	1.0
74.66446	0.5
107.72071	0.6
113.18940	0.6
116.35373	0.6
183.13910	13.3
193.12312	1.0
195.13928	34.9
206.39745	0.6
211.13423	50.9
213.14969	13.0
223.13460	1.3
276.58099	0.7
315.26920	6.2
330.68625	0.7
333.28140	0.7
353.19122	1.0
359.26007	5.2
377.27036	5.4
395.27786	1.2
407.28207	1.0
425.29144	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	425.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
69.84448	0.4
71.24445	0.4
109.12502	0.4
122.44048	0.4
133.61131	0.4
136.88077	0.4
152.10942	0.5
170.11923	0.7
212.36952	0.5
222.18552	0.5
240.19792	1.7
319.27600	2.3
329.26254	0.7
330.24725	0.6
347.27292	2.2
365.28113	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	425.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65611	0.3
51.87426	0.3
93.89654	0.4
112.93353	0.4
158.56236	0.4
342.32834	0.4
425.34314	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15222	1.1
55.01891	1.4
58.65017	1.4
59.01383	67.3
63.73057	1.5
69.03458	3.3
71.01379	71.0
72.99284	1.8
73.02946	14.8
75.00877	3.8
81.03454	3.2
83.01398	2.8
85.02938	12.7
85.32655	1.5
87.00880	2.5
89.01874	3.2
89.02435	99.1
97.02948	14.0
99.00865	22.0
101.02435	24.1
101.73849	1.6
104.99712	1.6
111.00830	2.6
113.02431	14.5
115.04022	14.5
125.02422	32.2
131.03702	15.3
139.11629	1.6
143.03464	2.6
148.15019	1.6
149.04556	11.2
154.67520	1.8
161.04567	15.4
161.05772	1.8
175.03972	2.7
191.05542	3.3
215.05705	2.6
233.06679	18.8
293.08820	100.0
322.38004	1.7
426.14084	65.9
427.67480	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	426.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11200	0.4
57.21029	0.5
58.48492	0.4
59.01368	0.9
65.00324	0.7
71.01342	0.7
75.00855	1.3
78.95892	0.6
86.70880	0.5
88.20387	0.5
89.02445	0.9
99.00854	1.3
101.02436	1.2
105.81581	0.5
108.04581	0.5
109.02951	7.4
110.06100	3.0
111.17699	0.6
113.02351	0.9
121.02901	0.7
123.93322	0.6
125.02436	5.2
133.03011	0.7
137.02435	1.2
141.01920	3.3
159.02982	0.9
167.03456	0.7
169.01404	7.7
174.09245	2.4
176.07242	0.9
177.02063	0.7
178.02718	0.9
181.01346	0.6
183.03015	3.0
184.44920	0.5
190.08636	0.5
191.51558	0.6
193.05115	1.0
195.03024	1.2
196.00127	1.2
201.04082	11.3
209.04533	4.3
209.09326	0.6
218.08221	5.0
223.02444	3.6
227.05910	0.7
229.03606	1.1
236.12434	0.6
237.04044	3.2
241.03490	1.1
243.05016	3.5
243.63860	0.6
248.09254	1.1
269.06686	16.9
271.04660	1.3
273.06195	2.0
274.07117	0.8
292.08145	0.9
294.12796	1.2
318.09714	0.9
332.07925	0.6
348.10886	2.4
365.11057	7.7
366.11951	1.0
408.13074	2.6
426.14072	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	426.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.4
61.98814	1.1
68.64500	1.0
78.95902	1.4
80.96513	1.3
81.74731	1.3
89.02448	1.9
95.69060	1.0
99.00858	1.9
108.02132	1.2
109.02941	27.9
110.06085	2.5
115.92068	1.2
125.02429	6.0
127.00391	1.1
141.01944	1.5
147.04518	8.1
158.92395	1.8
159.02954	1.6
160.54573	1.1
164.07182	27.3
169.01436	8.3
174.09204	1.9
179.03401	2.1
183.02997	1.6
195.02992	1.8
201.04034	9.7
209.04549	2.0
213.03844	1.4
218.08192	5.3
228.00990	1.2
237.03882	1.4
242.08179	1.2
248.09247	2.7
269.06650	4.2
348.10754	4.8
366.11664	1.3
376.10583	1.2
408.13010	10.4
412.60016	1.3
426.02539	2.2
426.14056	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29926	9.8
55.74025	12.6
56.07294	10.4
58.87635	12.6
88.69352	13.7
89.15249	12.1
159.07628	12.1
168.19069	12.1
209.17250	12.9
238.77893	13.5
258.19089	12.5
344.93167	15.5
354.19489	19.9
426.17978	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	426.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29926	9.8
55.74025	12.6
56.07294	10.4
58.87635	12.6
88.69352	13.7
89.15249	12.1
159.07628	12.1
168.19069	12.1
209.17250	12.9
238.77893	13.5
258.19089	12.5
344.93167	15.5
354.19489	19.9
426.17978	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	427.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.6
64.29794	0.7
65.78477	0.7
71.01377	0.9
85.02938	1.7
87.00832	0.8
92.32860	0.7
101.02415	0.7
107.16930	0.8
113.02437	4.0
119.05027	8.1
121.02953	0.9
123.04588	1.0
133.02975	1.4
135.04478	4.9
137.02362	1.0
145.02951	3.1
149.02444	18.3
152.01144	7.0
157.00832	0.8
158.47386	0.8
160.04094	0.9
163.04007	14.4
164.04793	45.4
169.05026	3.3
175.11369	0.7
179.03444	1.3
179.07129	16.3
193.01434	9.9
199.27834	0.9
208.03789	68.7
215.81317	0.8
223.06139	100.0
263.07764	0.8
281.08881	3.7
283.06827	0.8
350.14954	0.7
367.10764	0.9
383.09778	0.8
391.15091	3.1
396.93762	0.8
427.12500	18.2
427.17886	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	427.1614
Annotation	Furcatin
Peak:m/z	Relative Intensity
52.72886	1.1
52.90681	1.0
57.03453	100.0
58.05717	1.0
58.14374	1.2
59.01386	92.0
71.01382	14.1
73.02935	2.4
86.87243	1.2
89.02438	25.1
99.04515	100.0
101.02448	33.0
113.02444	16.8
119.03499	7.8
125.02447	46.8
134.92453	1.4
143.03506	7.5
149.04544	1.9
161.04518	5.4
179.05615	5.7
199.13232	1.4
221.06555	1.8
244.93033	1.5
294.14651	2.3
325.13062	5.6
365.16202	1.7
427.16089	19.1
427.21207	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	427.1612
Annotation	Furcatin
Peak:m/z	Relative Intensity
57.03452	100.0
58.86432	1.6
59.01383	93.8
61.36415	1.5
68.10686	1.6
71.01379	19.1
73.02939	8.2
75.13819	1.8
83.01377	3.6
85.02964	4.7
89.02441	16.3
89.02889	1.7
95.01389	2.2
99.04510	99.4
101.02433	37.6
102.88985	1.9
113.02437	16.0
119.03473	7.4
125.02438	46.8
130.20145	1.8
140.98924	2.0
143.03494	7.2
161.04556	9.3
179.05528	2.1
188.75676	2.3
221.06580	2.0
283.11774	2.5
325.12921	7.4
347.61502	1.9
427.16257	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	427.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	100.0
59.01381	79.0
70.94386	1.7
71.01378	17.7
73.02943	7.4
83.01398	2.2
85.02945	9.2
86.91735	1.4
89.02451	2.1
99.00880	1.9
99.04513	84.0
101.02435	44.3
111.59222	1.4
113.02470	12.2
113.03111	1.5
125.02436	26.1
143.03496	6.8
149.42352	1.6
159.03015	2.0
161.04549	9.7
172.98799	1.5
212.27591	1.6
213.96054	1.7
259.03513	1.7
283.11792	20.1
325.12924	9.3
365.16153	3.5
381.76373	1.6
425.68329	2.2
427.16003	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	427.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.8
59.01379	100.0
69.70884	0.7
71.01374	18.7
73.02934	9.8
83.01369	2.2
85.02939	9.3
87.00864	0.6
89.02431	6.7
95.01388	2.5
97.02924	1.2
99.00864	4.3
101.02433	28.4
113.02439	14.5
125.02355	0.8
131.03474	1.3
138.06871	1.1
143.03459	0.7
151.07600	3.7
152.08403	8.7
153.09196	18.9
157.08661	0.7
159.02988	2.6
161.04550	11.2
205.12358	13.0
223.13409	2.2
249.13452	21.0
249.73622	0.7
367.17642	25.5
381.17664	74.4
385.18613	2.4
427.19781	9.3
445.78152	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	35.3
64.14951	0.8
66.04940	0.9
68.57674	0.9
71.01382	21.3
73.02939	12.3
73.13907	1.0
83.01403	1.9
85.02938	10.7
87.00864	1.2
89.02455	7.3
93.73846	1.2
95.01414	1.4
99.00875	5.1
101.02439	31.0
112.87516	0.9
113.02456	15.1
125.02461	1.0
143.03502	1.5
143.38550	1.0
149.02350	1.0
151.07649	1.0
153.09256	4.1
159.03006	4.5
161.04579	12.9
205.12357	1.9
212.20375	1.0
249.13441	25.2
367.17618	7.2
381.17691	100.0
427.19403	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	427.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63100	0.8
59.01375	10.9
71.01371	19.0
73.02931	15.5
76.84190	1.0
83.01376	1.7
85.02946	10.1
87.00852	1.2
89.02435	6.6
99.00871	5.4
101.02436	37.4
113.02438	11.5
159.03001	2.1
161.04562	16.7
171.31685	1.2
173.41208	1.2
235.11896	38.7
257.26648	1.5
271.89258	1.1
367.16110	100.0
436.85110	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.4
59.01382	17.3
71.01382	23.3
73.02952	10.8
77.20911	1.1
83.01404	2.1
85.02947	10.4
87.00901	1.8
89.02428	9.9
99.00851	2.4
101.02444	34.6
111.99798	1.2
113.02452	19.0
119.05020	1.9
131.03491	1.9
143.03378	1.4
159.02966	2.7
161.04584	17.5
163.03970	2.5
235.11880	36.6
243.06694	1.7
367.16107	100.0
396.53107	1.5
429.89682	1.5
446.22342	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	427.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
67.11430	0.8
70.47294	0.7
71.01381	8.1
73.02938	1.7
83.01359	0.8
84.87748	0.7
85.02950	3.0
89.02440	1.8
92.23067	1.0
95.01394	0.9
101.02435	7.2
113.02425	8.9
130.38229	0.9
151.07648	1.9
152.08444	10.8
153.09204	19.4
161.04536	1.7
165.20422	0.8
189.99023	0.8
203.05602	0.8
205.12337	10.8
223.13397	3.0
249.13441	1.7
271.45099	0.8
309.92072	0.8
323.92847	0.7
367.17630	21.7
381.17624	8.0
385.18692	1.8
427.19897	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	427.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95459	1.4
53.56765	1.0
56.55533	1.2
59.01383	100.0
68.16643	0.9
71.01376	19.3
73.02945	26.4
83.01383	6.1
85.02950	7.0
89.02428	9.3
95.01395	1.3
97.02996	1.3
101.02444	20.8
108.05824	1.6
112.46429	1.1
113.02441	14.1
113.06096	1.2
119.03455	1.8
123.08136	1.1
125.06027	2.2
129.03429	1.0
136.05310	1.2
138.06886	12.7
139.04007	8.4
139.07639	5.0
148.10605	1.2
149.04570	1.8
151.07629	13.8
152.08415	31.7
153.09215	91.4
161.04538	6.7
163.04002	1.6
181.05135	1.4
203.05490	1.4
205.12346	31.1
223.06110	1.3
223.13417	16.5
236.01225	1.2
367.17734	19.0
385.18784	9.5
422.00201	1.1
427.13416	2.0
427.19489	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	427.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03269	0.9
55.71793	0.9
57.03444	1.7
57.63752	0.9
58.06551	0.9
59.01384	100.0
60.74141	1.0
71.01385	18.0
72.74213	0.9
73.02941	40.2
83.01391	7.1
85.02946	2.5
89.02444	10.2
101.02438	29.6
104.82955	1.0
113.02459	12.4
119.03493	2.6
131.03525	2.3
143.03476	1.6
149.04538	5.6
153.09196	4.8
161.04544	12.3
165.09164	1.2
191.89549	1.1
205.12366	4.5
212.20863	1.1
214.45216	1.4
221.06630	1.6
223.13396	2.3
367.17737	1.8
427.20276	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	427.2702
Annotation	PGF2alpha-G
Peak:m/z	Relative Intensity
59.01382	100.0
64.27592	0.6
64.48305	0.5
106.53503	0.7
107.75030	0.7
126.82104	0.7
147.11322	0.7
152.12328	0.6
197.02026	0.6
337.42654	0.7
436.32227	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2702
Annotation	PGF2alpha-G
Peak:m/z	Relative Intensity
51.69771	0.8
52.03152	0.7
52.20114	1.0
57.90472	0.9
57.99310	0.8
59.01383	100.0
62.80637	0.9
91.03971	1.4
120.57686	0.9
125.17184	1.0
131.64299	0.9
147.54355	1.0
275.20129	3.9
293.21249	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	427.2703
Annotation	PGF2alpha-G
Peak:m/z	Relative Intensity
55.70642	0.7
59.01382	100.0
72.82107	0.7
91.03989	4.0
94.47292	0.7
205.54149	1.0
263.06674	0.8
275.20242	1.3
293.21194	16.7
323.46744	1.1
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	PGF2alpha-G
Peak:m/z	Relative Intensity
57.56025	0.4
59.01381	100.0
61.98824	1.0
96.31922	0.5
104.95398	0.5
117.18423	0.5
148.93164	0.6
167.18806	0.5
176.45676	0.5
355.04419	0.7
434.59976	0.5
447.12268	0.6
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	PGF2alpha-G
Peak:m/z	Relative Intensity
58.77148	0.5
59.01382	100.0
60.60732	0.6
81.32229	0.5
249.63988	0.6
258.50684	0.6
293.21246	9.7
299.48804	0.6
367.24945	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	427.2705
Annotation	PGF2alpha-G
Peak:m/z	Relative Intensity
59.01383	100.0
78.74690	0.7
79.18436	0.7
92.22527	0.7
159.56238	0.7
173.31050	0.7
293.21127	2.7
315.43491	0.7
367.24948	1.0
379.94220	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82956	0.5
51.95507	0.5
55.86515	0.6
58.61114	0.6
66.59175	0.6
135.46220	0.7
174.18117	0.7
413.61963	0.7
427.35828	100.0
435.44247	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1716
Annotation	periglaucine D
Peak:m/z	Relative Intensity
61.98821	8.0
83.79752	3.4
107.95469	3.7
108.69012	3.7
109.42426	4.1
128.52036	3.5
131.21707	3.8
156.77640	4.1
221.13542	4.3
356.23984	55.3
428.22345	100.0
447.88065	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	428.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
63.43459	82.6
66.30759	80.5
68.23849	79.2
92.23132	77.5
106.43674	100.0
234.73103	94.7
257.89999	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	428.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61103	47.2
52.91631	53.2
57.72344	48.9
59.01369	96.3
61.02319	58.3
61.98823	100.0
69.76144	54.1
75.40719	65.0
83.92621	50.0
141.06541	69.1
254.33925	68.5
333.54272	75.0
352.98019	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	429.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	8.2
71.01374	1.1
72.97865	0.4
73.02956	0.5
83.01443	0.4
92.23112	1.0
95.04989	0.7
95.08348	0.4
130.08707	1.9
137.06079	14.7
137.07124	0.7
139.04010	14.9
150.34340	0.5
153.05608	0.5
161.05879	0.6
163.07645	0.7
165.01912	0.9
165.05524	0.8
177.05583	1.8
180.04222	0.6
181.05069	100.0
195.06619	2.2
205.05061	15.5
207.06624	8.6
223.06114	8.2
225.07700	10.3
235.05975	0.7
249.07645	1.6
291.83261	0.4
321.61841	0.4
385.06937	0.9
385.11435	15.0
411.12930	1.0
411.22940	0.5
429.08038	0.7
429.13986	22.3
429.19278	0.8
429.23477	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	429.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93096	0.3
57.50653	0.3
59.01376	2.7
71.05016	0.7
83.01384	0.5
90.91989	0.3
95.05028	0.6
97.02941	1.8
131.81487	0.4
137.06090	11.1
139.04016	23.4
139.77438	0.4
163.03992	1.9
163.07660	0.6
165.02008	0.8
166.02739	0.4
181.05074	100.0
181.36232	0.4
205.05040	0.9
207.06656	11.4
217.64934	0.4
222.23767	0.5
223.06184	0.5
225.07692	8.2
306.65140	0.4
385.11407	7.4
429.13925	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	429.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	99.2
61.98812	2.4
71.01369	4.6
73.02948	4.4
89.02430	8.5
101.02428	9.6
113.02429	3.9
119.03510	2.0
161.04498	2.8
305.32947	2.2
393.17743	33.0
429.15332	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1536
Annotation	Sesartemin
Peak:m/z	Relative Intensity
50.90276	2.5
59.01380	69.8
59.24768	2.2
65.79282	2.5
71.01384	6.4
89.02432	15.1
96.82890	2.9
101.02452	3.9
113.02448	4.2
116.06579	2.9
212.70801	3.1
260.23175	3.2
325.33078	3.0
369.19037	5.4
387.20139	4.3
393.17740	31.8
398.81146	2.8
429.09589	4.9
429.15396	100.0
429.20917	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	429.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03000	0.5
52.19843	0.5
57.03449	19.6
59.01381	100.0
71.01377	15.3
73.02937	3.7
85.02944	5.5
89.02440	16.4
89.45656	0.7
95.01373	1.3
99.00909	1.0
99.04511	16.8
101.02430	16.7
113.02443	7.3
119.03496	4.3
125.02409	5.0
130.08699	0.8
137.09753	1.2
143.03532	1.2
153.09215	2.6
161.04553	8.4
179.05623	6.8
181.05066	3.2
189.12920	0.8
205.12308	1.4
207.13942	3.6
209.12134	0.8
223.13286	0.9
225.15039	3.5
249.11284	1.7
249.13414	7.8
262.07785	0.7
291.14502	2.8
316.85361	0.7
365.74792	0.8
369.19308	7.7
387.20407	0.9
393.17761	30.5
429.17130	8.1
429.22540	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	429.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01683	1.4
57.11977	1.3
58.00617	1.3
58.94942	1.4
59.01381	83.6
71.01376	29.3
80.99636	1.5
85.02944	7.0
85.97473	1.5
89.02432	50.3
99.01827	1.5
99.04498	10.9
101.02454	17.5
111.04491	3.7
113.02438	19.3
113.96815	1.8
119.03496	16.5
122.87621	1.8
139.26212	1.6
161.04445	1.9
161.13347	16.6
179.05589	9.2
187.11226	4.0
205.12320	40.6
209.66452	1.7
249.08839	3.0
249.11336	62.7
385.18433	3.3
421.64063	1.8
429.17639	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58694	0.9
57.03447	1.3
59.01383	100.0
59.98532	0.9
68.49541	0.8
69.30663	0.8
71.01011	1.5
71.01380	36.5
72.99291	1.0
81.07076	3.8
82.71838	0.8
83.01361	0.9
85.02946	7.1
87.00867	1.9
89.02441	48.3
95.01363	1.9
99.04525	7.1
101.02441	22.7
111.04501	1.3
113.02435	16.8
119.03495	20.1
131.03439	1.2
135.11748	2.0
143.03453	1.9
149.04561	1.8
161.04539	5.9
161.13359	37.6
167.03487	2.0
179.05649	11.4
187.11266	3.7
205.12355	53.0
205.14290	1.7
223.13316	3.9
249.11328	53.6
267.12396	1.6
345.62662	0.9
369.15411	5.4
369.19495	1.6
385.18521	4.6
387.20319	1.4
429.17621	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	429.177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91187	1.9
53.48241	2.8
59.01105	3.6
59.01383	100.0
59.61823	1.9
62.41727	1.9
68.55459	2.0
71.01377	45.0
81.07082	3.4
83.60157	2.4
84.87524	2.2
85.02948	4.8
87.00829	3.0
89.02434	78.8
99.04518	15.5
101.02441	24.1
108.44336	2.3
111.43541	2.4
113.02451	23.1
119.03474	26.3
119.56945	2.6
125.06060	3.4
126.63237	2.6
150.06859	3.2
161.13367	27.3
179.05609	22.3
187.11296	3.4
205.12347	55.9
216.02039	2.7
221.45201	2.9
249.11334	89.5
299.92358	3.2
308.41470	2.5
385.18600	5.1
429.17627	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	429.177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00821	2.8
57.03482	3.0
59.01384	100.0
61.90274	2.9
70.69520	3.3
71.01376	33.6
80.46542	3.2
85.02950	14.8
89.02444	48.6
98.00112	2.9
99.04510	6.5
101.02451	23.3
104.89836	3.6
113.02436	17.6
119.03482	6.7
119.99429	3.3
130.08707	6.9
143.03456	3.5
143.34497	3.2
158.70213	3.1
161.13361	18.3
179.05589	7.8
181.05031	13.3
205.12413	27.9
249.11269	45.2
295.35840	4.5
429.17532	50.2
429.22729	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	429.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.0
59.01378	1.1
61.96478	0.6
74.66275	0.7
77.67822	0.6
99.00879	71.1
99.92601	4.5
100.93364	54.2
115.92072	100.0
116.92858	8.1
116.95205	0.7
126.42529	0.8
141.42096	0.8
151.80890	0.8
154.94376	1.3
172.95432	6.8
175.33086	0.8
186.29636	0.8
255.23183	1.5
293.74542	0.8
326.08466	0.8
373.21143	0.8
381.16919	1.0
385.31088	0.8
429.19559	36.0
442.45624	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
59.94697	0.4
71.01379	6.7
73.02938	9.6
83.01397	2.9
85.02963	2.6
85.38050	0.5
89.02438	4.2
92.22607	0.6
101.02441	11.0
109.18270	0.5
113.02449	5.5
116.07249	0.6
119.03488	1.1
125.02351	0.6
131.03505	0.7
143.03484	0.6
152.08440	3.3
161.04611	2.3
168.20454	0.5
217.69006	0.6
225.14911	0.7
298.62177	0.6
304.18640	0.5
369.19202	8.3
385.24597	0.6
387.20215	10.0
402.01010	0.5
429.21460	14.2
434.10699	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82307	0.5
59.01382	100.0
61.67296	0.4
71.01378	10.7
73.02971	0.5
83.35594	0.6
85.02943	2.2
89.02438	21.0
89.02961	1.1
95.01392	0.6
101.02448	7.7
111.05992	0.5
112.20864	0.6
113.02443	6.2
119.03490	8.2
131.03484	0.6
137.09705	2.3
143.03514	0.9
161.04532	3.5
161.13356	0.9
161.83620	0.6
166.02681	2.2
179.05597	12.3
181.05069	12.3
205.12341	1.2
248.70842	0.6
249.11302	3.0
300.36313	0.6
369.19223	2.7
429.16559	4.9
429.21732	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	429.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06591	0.4
59.01381	100.0
60.13006	0.4
62.98685	0.3
67.30541	0.3
71.01387	0.8
72.52615	0.3
73.02931	0.6
77.80043	0.3
78.25081	0.5
89.02470	1.0
98.07839	0.4
98.90215	0.5
101.02451	0.7
113.02364	0.5
113.75275	0.4
117.11088	0.4
123.08144	1.0
163.11333	0.8
189.12897	2.7
207.14023	2.1
387.20035	0.5
395.81174	0.5
429.15997	0.6
429.21442	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	429.286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62157	0.3
53.30527	0.3
55.01886	3.5
59.01392	1.4
70.65471	0.4
71.01378	0.6
71.82852	0.4
78.09148	0.3
87.11643	0.3
90.48915	0.3
98.69380	0.3
99.00876	100.0
99.92573	0.7
100.93367	3.7
102.96869	0.4
115.92054	3.4
116.92856	4.1
131.24634	0.4
132.97374	0.4
141.10762	0.3
145.02982	0.4
152.91777	0.3
154.94434	0.5
172.95500	2.5
196.95009	0.3
224.73895	0.3
253.21669	0.7
255.23311	2.5
429.19330	5.2
429.28842	0.6
451.34171	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07288	0.8
53.36350	0.8
59.01384	100.0
60.31671	0.9
62.67155	1.0
66.22378	0.8
76.40268	0.9
85.69730	1.0
91.40706	0.9
113.25863	1.0
113.93102	1.0
114.30756	1.1
125.20856	0.9
131.03468	1.1
185.70804	1.0
197.50346	1.1
280.09464	1.2
295.22787	2.3
299.91272	1.3
372.75803	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
62.71344	0.8
69.79386	0.7
96.96008	0.9
122.76969	0.8
155.87535	0.9
162.61743	0.9
277.21597	1.4
291.15402	0.9
295.22778	8.3
356.82159	1.1
449.02048	1.1
452.33862	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90543	0.3
57.38107	0.3
59.01383	100.0
76.43069	0.4
91.04005	2.6
94.21841	0.4
109.76271	0.4
189.68901	0.4
195.13988	1.8
217.67531	0.4
277.21704	1.5
295.22809	20.4
295.25940	0.8
312.64444	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72316	1.0
59.01383	100.0
71.05484	0.9
76.79537	1.2
91.04010	1.5
112.40182	1.3
127.62554	0.9
160.63498	1.1
202.72220	1.1
206.37794	1.0
212.78250	1.1
234.40395	1.1
261.85355	1.1
277.21616	1.3
295.22867	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	429.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25524	0.5
53.99291	0.6
56.03794	0.4
59.01385	100.0
94.45903	0.6
100.94444	0.6
111.43475	0.6
143.37257	0.6
171.10295	1.2
188.24576	0.6
242.42072	0.6
277.21664	4.0
281.52515	0.7
295.22800	10.2
415.94717	0.7
426.57535	0.7
435.46893	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28101	0.9
57.68771	0.9
59.01383	100.0
63.06488	1.0
73.90601	1.1
104.87983	1.1
131.37608	1.2
297.67325	1.5
369.15186	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	429.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47054	1.9
59.01382	100.0
59.82402	1.7
94.33032	1.7
137.59644	1.9
167.56409	1.9
179.70897	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	429.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
73.15694	0.7
100.68711	0.7
111.76675	0.8
118.45596	0.8
137.93690	0.9
151.11778	0.8
195.33435	0.9
205.78000	1.0
280.63773	1.0
443.96240	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91594	0.9
59.01382	77.9
68.21026	1.0
72.04551	1.2
74.02468	26.0
87.05631	48.0
96.54208	1.1
98.02460	7.0
99.05639	54.0
104.03529	9.3
115.05141	1.3
116.03525	1.9
117.06701	13.1
125.59939	1.2
129.06689	16.6
131.04620	6.3
141.06725	15.1
159.07680	1.5
173.05664	10.4
227.43655	1.1
295.22821	1.9
342.26416	1.6
372.31168	1.1
399.28513	7.8
429.29752	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	430.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.91984	0.5
61.98831	100.0
71.01400	0.5
73.37533	0.5
75.88307	0.5
77.26963	0.6
101.23532	0.5
115.60709	0.5
133.80026	0.5
135.40598	0.5
136.07684	0.6
172.34056	0.5
185.02669	0.6
205.37030	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79751	9.8
58.12567	8.3
59.01385	100.0
59.20177	8.6
66.49020	10.2
92.22922	16.0
95.51520	10.5
140.08554	11.2
195.83549	11.3
298.86313	11.0
373.48486	12.8
430.20563	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	430.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18739	0.4
60.98213	0.4
61.98823	1.1
62.65870	0.4
72.00901	8.3
76.58624	0.5
81.26852	0.5
83.75156	0.4
96.96008	2.0
104.60307	0.4
114.01971	0.5
144.07674	0.7
147.04530	33.8
158.09587	0.5
164.07176	100.0
165.07433	0.9
172.40382	0.6
187.10910	0.8
193.08626	0.6
196.60921	0.6
228.17142	0.9
231.13480	0.5
253.16666	1.0
394.00241	0.7
400.22433	0.8
430.14447	0.7
430.23608	4.0
448.40332	0.6
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	Unknow
Peak:m/z	Relative Intensity
53.81332	0.4
56.05538	0.4
59.01372	0.6
66.80693	0.4
69.58366	0.4
75.35458	0.4
80.02702	0.4
83.05029	4.0
84.02161	0.5
84.04552	0.8
102.05605	40.1
118.05093	0.5
121.88322	0.5
126.05605	0.5
127.07656	0.7
129.08311	0.8
129.09216	15.4
130.79300	0.5
141.09218	6.8
141.12872	0.7
144.06590	3.0
163.11290	2.9
165.12820	2.8
181.12367	0.5
185.11832	37.2
191.10828	1.9
197.11845	34.6
197.13750	0.6
201.11354	0.7
209.11845	100.0
215.12947	0.7
227.12891	8.5
247.20857	0.9
291.19711	7.8
309.20792	4.7
327.21799	92.7
430.28207	31.5
444.62527	0.5
451.81470	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44783	0.8
56.07735	0.8
57.13781	0.7
58.25380	1.0
59.01382	100.0
60.01711	10.0
61.98834	16.5
67.37289	0.9
72.47832	0.9
84.32889	0.9
89.99405	1.0
126.38848	1.0
149.50154	0.9
169.70518	1.0
177.87325	1.1
249.43149	1.0
295.22418	1.5
296.23093	5.7
349.76804	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60933	0.4
59.01378	0.7
60.99307	10.2
69.96997	0.4
70.05189	0.5
73.67703	0.4
88.98799	100.0
89.02438	16.7
93.03458	0.9
96.39296	0.5
96.79851	0.5
99.26530	0.5
113.77052	0.5
137.02435	5.0
196.71957	0.6
232.88289	0.9
274.89560	1.2
276.87387	2.4
316.90469	2.1
341.10831	3.7
342.88623	3.9
378.21243	0.7
388.11008	0.6
431.11728	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	431.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60283	0.3
59.01384	0.8
59.06900	0.4
63.73693	0.4
71.01381	0.5
88.98783	0.9
89.02436	0.5
93.03450	31.4
97.47958	0.4
99.00905	0.5
113.02406	0.5
120.30882	0.4
128.03583	0.6
134.78317	0.4
137.02443	100.0
139.03993	0.8
299.07632	0.7
314.24896	0.4
411.65576	0.6
431.12003	45.0
431.16537	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	431.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62176	0.6
53.71228	0.8
57.03452	58.7
59.01390	8.1
62.44016	0.7
65.71962	0.7
67.12358	0.8
69.03439	1.5
71.01366	4.1
73.02946	1.1
74.08965	0.8
85.02949	1.5
89.02460	1.3
97.02933	15.5
99.00826	1.0
99.04510	35.9
100.89522	0.8
101.02428	16.9
113.02424	1.4
124.36166	0.8
125.02433	100.0
143.03525	3.3
161.04568	3.5
203.05656	3.7
203.39429	0.9
228.34650	0.9
243.08771	1.9
329.08649	5.4
369.11978	1.7
374.17227	0.9
431.11966	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	431.135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.9
71.01365	1.0
73.02956	0.9
80.75343	0.2
83.01434	0.2
85.02940	0.3
92.23098	0.3
101.02440	0.9
113.02420	0.9
141.07179	0.4
143.05031	2.1
157.06647	0.9
157.26170	0.2
159.08121	1.6
161.04492	0.3
168.05772	0.2
178.58850	0.2
182.07310	0.5
183.08179	2.2
185.04645	0.2
185.06078	7.7
227.07156	100.0
341.82031	0.2
347.86688	0.2
431.13528	2.2
431.19287	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	431.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75166	0.6
51.97294	0.7
59.01107	0.7
59.01377	5.9
71.01370	5.9
80.58044	0.7
87.00809	0.7
88.98801	11.1
89.02440	100.0
93.03455	25.0
99.00891	0.7
101.02450	5.0
113.02404	1.4
114.30544	0.7
119.03449	3.0
137.02444	77.2
161.04535	1.5
179.05612	2.7
219.98132	0.8
243.09184	0.7
341.10944	25.0
358.32315	0.7
431.11960	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	431.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92603	0.7
57.03194	1.3
57.03453	27.2
59.01382	44.0
68.55552	0.8
71.01374	25.2
73.02955	9.7
74.02467	5.1
80.71615	0.7
83.01390	1.5
85.02946	5.2
86.20450	0.7
88.05727	0.7
88.98789	10.2
89.02441	48.2
93.03473	1.2
95.01350	1.6
96.00935	3.1
96.96008	1.1
97.02952	4.7
98.02496	0.8
99.00876	46.4
99.03895	1.5
99.04514	32.6
101.02443	23.4
104.03536	3.0
113.02436	26.3
113.03561	0.8
118.05144	1.2
119.03500	12.3
119.04993	16.0
125.02435	39.9
127.05132	1.9
128.03542	5.6
129.10297	1.6
131.03526	5.6
137.02446	6.4
137.06099	1.8
143.03493	4.5
145.06215	1.3
149.04572	7.4
161.04579	8.0
179.05684	0.9
191.05629	11.1
197.12854	1.2
203.05553	3.3
211.14487	0.9
233.06653	1.8
237.11345	3.0
241.11963	1.3
267.18369	1.5
287.07617	1.1
293.08627	1.1
299.11365	6.0
329.08847	1.7
330.16766	1.2
396.17847	2.8
413.20285	4.0
431.16003	100.0
431.21503	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	431.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21727	0.6
58.72234	0.6
59.01382	100.0
61.98831	3.8
78.63000	0.6
85.02934	0.8
161.02419	0.7
176.04814	4.3
179.03551	1.3
186.96429	0.6
191.07181	0.7
194.05853	11.4
209.06610	0.8
209.08197	22.0
209.10052	1.3
212.57693	0.8
213.29677	0.6
264.94101	0.6
292.60129	0.8
320.00015	0.7
421.85382	0.7
429.77490	0.8
431.21307	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	431.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13801	0.8
50.30701	0.9
57.03439	1.8
59.01381	60.9
63.05651	1.1
71.01374	24.8
72.99303	2.0
73.02940	13.5
73.21940	1.0
75.00871	8.6
80.01998	1.1
83.01398	2.2
83.33652	1.0
85.02941	19.8
87.00867	6.2
89.02434	15.9
95.01363	5.5
99.00861	6.6
99.04498	1.7
101.02435	19.6
105.97691	1.0
113.02426	25.0
115.00295	1.8
117.01894	2.1
119.03492	4.5
123.04509	19.8
129.01898	1.2
131.61435	1.1
149.04683	1.0
149.06050	7.4
161.04507	5.8
166.39496	1.0
181.08670	7.0
204.05676	1.2
249.06139	21.6
267.07193	16.3
267.23447	1.2
268.13000	1.2
269.10263	1.3
280.78284	1.2
311.11407	11.7
329.12387	1.6
371.13394	6.7
379.49023	1.2
431.15512	100.0
451.86942	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	431.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
67.03006	7.5
71.01379	32.8
73.02942	77.8
73.03353	3.1
74.02471	3.4
74.03603	1.8
83.01390	18.7
85.02926	3.0
89.02428	16.0
93.03416	2.2
94.04098	4.2
97.69020	1.9
99.00867	10.7
101.02437	61.7
113.02444	11.5
114.30043	2.0
118.05091	9.1
119.03480	3.2
125.09689	3.7
131.03531	2.2
137.02466	4.1
143.03510	3.3
149.04459	3.1
161.04572	17.8
213.11467	1.7
225.72235	2.1
227.07036	13.5
298.17896	2.5
399.22412	17.4
431.12634	3.5
431.18884	73.2
431.23862	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	431.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66378	0.7
59.01107	1.8
59.01383	30.5
71.01373	12.0
85.02935	3.5
89.02438	21.4
95.01337	1.1
98.03696	0.9
99.04514	38.4
101.02406	7.4
113.02431	6.7
119.03478	4.1
137.35214	0.8
138.56339	0.8
147.72549	0.9
173.71996	0.8
187.38802	1.0
189.12857	9.0
207.13918	39.0
228.48119	1.0
233.11948	1.4
251.12901	53.7
431.19272	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	431.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26584	2.0
57.03453	86.0
59.01384	100.0
68.91546	2.3
71.01379	19.0
73.02943	5.4
85.02948	6.2
89.02445	20.4
94.61201	2.5
99.04510	66.5
101.02420	38.6
103.44610	2.5
113.02454	34.4
119.03471	4.9
125.02421	34.7
143.03511	5.6
161.04602	4.8
179.05792	2.6
183.13913	5.0
227.12967	5.4
431.18661	5.8
431.23828	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	431.2151
Annotation	Asp-Leu-Val-Ser
Peak:m/z	Relative Intensity
57.03447	13.8
59.01379	10.3
59.14275	0.8
61.98792	0.8
65.30247	0.8
71.01357	6.3
72.04527	1.0
73.02945	10.1
74.02457	2.2
76.42697	0.8
83.01352	4.4
84.47352	0.8
85.02944	1.5
85.93301	0.8
88.98772	6.1
89.02423	10.0
91.82650	1.1
93.03455	0.9
95.04848	1.4
96.05681	8.4
97.02939	2.0
97.04037	5.6
98.02446	3.4
99.00864	14.9
99.04501	15.1
100.87112	1.0
101.02455	11.9
101.74599	1.1
105.04579	0.9
113.02401	5.5
116.03503	1.1
118.05106	10.6
119.03466	1.1
119.05007	1.4
125.02438	19.1
129.10284	1.4
130.08792	1.2
137.02391	3.9
142.45395	0.9
149.04485	1.4
155.06200	0.9
164.44235	0.9
168.10281	11.0
170.11856	9.7
171.10194	1.1
185.11426	1.1
193.12334	7.7
195.11356	3.8
200.12900	3.8
206.12959	1.2
206.16592	1.3
210.14867	3.8
210.87543	0.8
211.13344	4.3
216.11340	4.4
224.14107	1.2
225.12485	1.0
226.14459	11.1
228.15997	4.2
232.14543	11.6
234.12599	19.7
236.12819	1.3
237.11322	32.4
242.18764	1.3
244.15462	4.1
250.15675	9.4
251.13971	1.7
252.13576	8.3
253.15520	5.2
268.16605	1.8
270.18121	4.5
287.16034	1.1
288.14453	1.3
314.17087	5.3
330.16742	44.8
382.73639	0.9
387.22330	1.4
431.15494	15.1
431.21289	100.0
433.65781	1.0
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
58.53194	0.3
59.01394	0.4
61.81102	0.3
78.95899	30.7
79.94657	0.3
86.13100	0.4
96.96961	5.0
130.62445	0.4
145.02989	0.9
145.94174	0.4
146.27040	0.4
150.98015	1.2
152.99582	100.0
156.18845	0.3
171.00652	4.1
200.14676	0.4
242.69675	0.4
249.00110	0.4
277.21854	0.4
299.74820	0.4
431.22031	23.3
431.31314	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00868	0.5
51.80698	0.5
57.03454	0.8
59.01379	7.2
61.98836	0.6
86.59562	0.7
88.98759	0.6
97.06597	5.9
113.69618	0.7
116.21780	0.8
120.95709	0.7
123.08199	1.1
125.09718	99.4
127.80396	0.8
129.54900	0.6
143.10820	0.9
161.85423	0.9
169.08691	7.9
187.09775	100.0
193.20872	0.7
206.85173	0.7
261.13403	12.2
276.06839	0.7
330.32388	0.6
390.14612	0.8
431.22894	86.2
438.79135	0.8
452.86285	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.5
59.01384	100.0
63.16275	0.5
71.01379	26.6
73.02944	53.8
79.84755	0.6
83.01379	10.4
85.02934	3.1
89.02431	13.7
92.05034	0.7
95.01376	0.9
99.04543	1.2
100.81046	0.7
101.02441	48.1
103.27025	0.7
111.08150	1.3
113.02445	14.6
119.03505	5.0
125.02449	1.7
131.03506	3.9
143.03517	2.7
149.04524	6.0
153.09203	21.2
161.04578	13.6
165.12880	0.7
191.14467	1.0
200.20836	0.6
203.05568	1.2
204.88196	0.8
209.15488	11.2
217.16476	0.7
221.06653	4.2
227.16620	1.0
287.84473	0.8
356.49741	0.7
365.43741	0.7
371.20810	14.9
373.28778	0.8
389.21945	4.6
431.23029	27.4
433.46014	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74520	0.3
53.39326	0.3
53.95166	0.3
57.03448	1.4
59.01384	4.3
97.06585	5.0
106.40854	0.4
123.08163	2.0
125.09715	100.0
143.10760	0.8
169.08688	6.2
174.28348	0.4
187.09767	98.0
261.13440	9.8
330.73233	0.4
431.22916	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	431.229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.5
59.01376	3.1
64.87115	0.4
76.24284	0.5
77.36032	0.4
84.22524	0.6
97.06577	5.1
123.08187	1.0
123.81754	0.5
125.09713	100.0
143.10854	0.7
144.54233	0.5
169.08691	6.0
174.14917	0.5
187.09766	96.9
212.23862	0.5
222.43475	0.5
261.13504	7.5
426.20251	0.5
431.22900	78.3
444.58856	0.6
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
53.36906	0.8
59.01381	100.0
60.41938	0.7
63.97681	0.7
70.08612	0.7
71.01379	12.6
73.02940	12.0
83.01379	4.1
85.02950	6.6
89.02447	5.0
92.23084	1.7
93.67267	0.8
101.02441	17.0
113.02447	7.2
156.51056	0.9
161.04530	7.2
209.15588	1.3
277.37888	0.9
286.55228	0.9
371.20761	41.0
375.30588	1.1
431.18747	5.5
431.24051	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	431.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
64.11540	0.8
66.25278	0.9
67.24015	0.9
71.01386	6.4
73.02944	1.1
73.94340	0.8
74.02482	1.4
74.03605	1.0
82.43089	0.9
85.02940	1.1
88.98811	5.2
89.02439	5.2
90.75452	1.0
91.99464	1.1
99.00882	2.0
101.02431	5.2
113.02422	4.6
118.05098	5.7
119.03489	1.4
121.48588	1.0
123.08128	1.0
127.62139	0.9
133.12675	0.9
137.02443	5.4
179.05659	1.5
262.15814	0.9
371.20816	1.3
395.19165	12.5
399.22507	5.4
413.23944	1.4
431.19260	3.4
431.23505	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	431.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00502	1.2
55.01872	1.6
57.00936	1.1
59.01385	22.1
62.72985	1.2
65.34691	1.1
67.03008	2.4
69.04585	1.1
69.83552	1.1
71.01387	1.6
74.03597	7.5
79.03033	2.2
80.02518	1.5
81.04579	12.0
93.03449	1.7
94.04101	33.0
96.05682	5.6
99.00884	20.1
101.02411	1.3
108.86062	1.5
112.05174	2.3
116.03513	1.5
118.05118	10.6
125.09715	3.0
130.17148	1.3
137.02408	2.4
153.09222	5.3
171.10239	8.1
177.44356	1.2
250.15570	2.3
268.03827	12.8
280.16885	1.5
294.37390	1.9
298.17749	100.0
330.20410	12.0
370.74017	1.6
371.20901	1.7
399.22272	1.7
418.49988	1.5
431.10056	9.5
431.19604	2.7
431.25226	24.4
451.51614	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	432.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38687	1.3
59.01383	50.6
60.01703	7.7
61.01804	12.9
61.98831	100.0
69.11388	1.6
78.95898	10.3
81.75916	1.6
87.54710	1.8
127.63893	1.5
152.99582	22.3
246.73177	2.0
432.22406	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	433.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97273	0.3
59.01386	0.6
61.00163	0.3
67.78558	0.3
89.02403	0.7
99.34490	0.4
99.55655	0.3
123.00857	1.5
124.01665	7.5
125.02433	14.7
149.99576	11.8
151.00327	1.3
166.99797	0.4
168.00638	100.0
169.01418	3.6
179.03558	0.6
233.32727	0.4
239.05594	0.9
257.06760	0.4
287.60184	0.5
301.05786	2.6
348.69815	0.4
415.08621	1.5
433.09885	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	433.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	16.7
61.98833	0.8
65.00315	0.4
71.01373	2.1
83.01390	0.6
89.02447	1.7
92.22475	0.6
93.03452	4.9
101.02447	1.7
107.01392	3.3
113.02450	0.4
119.05016	16.8
121.21980	0.4
125.02406	1.0
136.04018	0.8
145.03004	0.5
151.00363	38.8
165.01926	1.0
169.01434	1.0
175.00371	0.8
177.01917	5.6
181.12364	1.0
193.01360	0.5
209.15472	1.9
211.04079	0.8
227.07028	0.5
231.63144	0.4
244.60110	0.4
271.06146	100.0
299.02023	0.5
313.07275	1.6
320.08307	0.5
373.18323	0.8
373.22604	0.9
433.11621	5.0
433.20584	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	433.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	93.4
59.01381	100.0
61.83229	0.8
63.83907	0.8
71.01384	5.9
72.99288	0.8
73.02943	4.4
81.03461	4.1
83.01409	1.3
87.00890	0.9
89.02449	6.0
99.04516	96.3
101.01778	1.2
101.02441	28.0
108.93819	0.9
111.10172	0.9
113.02448	3.3
119.03507	1.8
125.02435	35.7
143.03441	6.3
161.04529	3.6
182.47018	0.9
221.06607	1.2
329.11621	1.1
331.13855	1.5
349.20047	0.9
361.14249	2.9
371.17056	1.3
373.18613	3.6
433.06555	3.4
433.11841	2.2
433.16989	5.4
433.21335	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	433.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	93.4
59.01381	100.0
61.83229	0.8
63.83907	0.8
71.01384	5.9
72.99288	0.8
73.02943	4.4
81.03461	4.1
83.01409	1.3
87.00890	0.9
89.02449	6.0
99.04516	96.3
101.01778	1.2
101.02441	28.0
108.93819	0.9
111.10172	0.9
113.02448	3.3
119.03507	1.8
125.02435	35.7
143.03441	6.3
161.04529	3.6
182.47018	0.9
221.06607	1.2
329.11621	1.1
331.13855	1.5
349.20047	0.9
361.14249	2.9
371.17056	1.3
373.18613	3.6
433.06555	3.4
433.11841	2.2
433.16989	5.4
433.21335	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	433.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	4.7
59.01378	25.8
61.98825	9.5
66.67380	3.9
71.01366	6.1
85.02945	4.6
89.24839	3.8
99.04498	7.6
116.43067	4.6
120.34862	4.0
129.64638	4.6
221.19182	6.7
226.50116	5.0
236.24287	4.5
265.18094	10.2
283.19095	19.0
301.20303	23.0
379.39874	5.2
389.78131	5.3
433.19730	58.8
433.24515	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	31.8
66.36697	5.6
72.00025	5.1
81.60941	6.0
82.48567	5.6
96.95949	6.9
116.99324	5.6
184.19849	6.3
184.51845	5.8
197.11832	25.8
202.88049	6.4
223.13594	6.2
225.69351	6.4
243.70831	6.5
271.06046	9.0
272.85202	5.8
309.06842	6.0
379.21246	25.6
433.19781	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	13.9
61.98830	38.7
76.07357	6.2
80.48090	6.0
81.30401	6.0
99.08157	9.1
121.68591	5.9
125.09697	27.4
143.10765	38.7
168.49281	7.7
169.08722	25.7
169.12294	12.3
171.10306	96.2
171.20601	7.7
215.12889	35.4
245.13942	8.1
251.54700	7.7
279.19519	9.4
297.20679	100.0
345.43088	7.4
393.64410	7.1
428.01563	8.1
433.19290	69.9
433.25262	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	433.1999
Annotation	Trp Pro Met
Peak:m/z	Relative Intensity
59.01379	46.1
59.45049	4.6
90.40689	4.4
113.33842	5.0
128.13676	4.7
137.16501	5.2
145.47501	5.1
176.91800	5.3
197.11844	19.9
219.25845	6.3
259.72327	5.6
433.19861	100.0
433.25076	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	433.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12352	16.6
59.01374	100.0
59.92051	15.4
61.98837	94.0
76.42685	19.2
77.71726	18.9
96.35131	23.2
115.07615	86.1
125.09698	28.6
145.08707	79.4
150.11839	17.4
181.30022	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	433.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20951	0.9
57.03450	100.0
58.14345	0.9
59.01381	80.2
61.98826	0.8
71.01045	0.9
71.01376	7.9
81.03449	1.5
89.02428	15.1
99.04510	86.5
101.02435	24.0
113.02457	4.5
119.03479	4.0
121.79562	0.8
125.02426	36.6
129.66466	1.1
143.03551	2.1
179.05670	1.5
248.04573	1.1
280.13037	1.1
289.16547	3.9
331.17740	7.7
369.22705	1.3
433.19888	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	433.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	14.2
59.01104	1.7
59.01381	37.5
70.35217	1.4
71.01386	14.2
73.02929	8.7
83.01371	1.3
85.02943	11.4
89.02437	2.1
99.00854	1.7
99.04477	7.0
101.02440	22.8
111.08138	8.1
113.02396	8.7
115.97749	1.5
124.07440	1.5
125.02434	3.2
125.50191	1.4
129.36409	1.4
138.87587	1.4
161.04498	8.9
165.12840	58.1
183.13898	61.1
191.10645	1.7
209.11754	7.0
223.08151	5.5
227.12794	3.2
236.55226	1.4
260.04550	1.5
285.20593	2.4
373.22192	1.6
373.27426	2.1
433.20636	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
68.48034	0.9
71.01377	24.5
73.02943	15.2
81.56765	0.9
81.99834	1.1
83.01393	4.7
85.02950	13.4
89.02441	9.9
95.01376	2.8
99.00877	6.3
101.02443	32.6
113.02443	16.9
115.15614	1.0
119.03494	2.0
129.09201	2.4
159.02998	2.1
161.04517	6.9
167.14352	2.1
178.60867	1.1
181.03670	1.1
195.11197	1.1
280.38629	1.2
329.19720	2.6
347.20825	21.8
389.21893	2.3
402.45325	1.2
433.20810	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	433.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46276	1.0
59.01381	48.8
61.40004	0.9
62.57475	0.9
71.01373	20.1
71.01726	1.0
73.02936	1.8
82.74525	0.9
85.02948	5.3
89.02432	24.1
91.23754	1.1
97.06589	1.1
99.04552	1.1
101.02434	9.5
113.01763	1.1
113.02428	8.4
119.03500	5.3
122.27482	0.9
144.78311	1.1
161.04570	1.5
173.13287	1.0
191.14435	9.9
194.25471	1.3
209.15479	100.0
217.12315	1.4
220.01970	0.9
235.13470	5.3
253.11801	1.9
253.14476	59.2
433.20859	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	433.2364
Annotation	Oleoylglycerone phosphate
Peak:m/z	Relative Intensity
53.48403	0.4
61.79877	0.5
76.31229	0.5
78.95905	43.5
88.48792	0.5
96.96950	4.8
119.19295	0.5
130.56578	0.5
150.98146	1.4
152.99586	100.0
171.00644	3.4
186.35013	0.5
279.23303	2.1
373.35977	0.6
433.23642	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	433.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	16.5
57.36226	2.4
59.01389	23.9
60.30103	2.1
70.56651	2.6
73.78313	2.9
77.67707	2.7
87.05576	2.3
89.49514	2.5
99.04507	15.9
101.02422	2.8
118.01894	2.8
119.48631	2.4
125.02470	2.8
125.09759	10.1
130.08754	5.3
141.09238	14.5
143.10767	16.5
148.15088	2.8
159.10266	2.9
171.10234	27.6
197.11810	14.8
215.12892	100.0
232.03754	2.8
245.14005	3.2
279.19748	13.0
289.16434	5.2
297.20679	42.1
309.11163	3.1
371.24472	3.8
405.10919	2.7
409.65234	2.8
433.24649	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	433.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98672	1.1
55.73837	0.8
56.95604	0.9
57.03451	39.0
59.01382	100.0
61.22362	0.9
63.94382	0.8
67.47150	1.0
71.01382	7.5
73.02935	4.7
85.02950	5.7
89.02425	10.0
99.00869	1.3
99.04508	37.9
101.02435	21.7
113.02454	6.8
119.03496	2.3
125.02446	13.3
143.03491	1.7
160.77545	0.9
161.04578	5.1
165.31995	1.1
185.02029	1.2
221.19154	13.2
239.20148	4.5
265.18103	9.8
283.19089	17.2
285.20676	18.6
289.16632	6.6
301.20227	43.3
331.17654	4.5
373.22345	30.9
433.19028	1.4
433.24857	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	433.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03472	0.5
57.09536	0.6
59.01383	100.0
61.98839	0.7
71.01389	6.3
73.02949	4.1
74.29918	0.6
80.29785	0.6
83.01382	1.0
85.02952	3.1
89.02433	1.6
101.02428	6.7
113.02445	4.0
119.03555	0.7
137.80083	0.6
151.00340	2.2
161.04556	2.5
169.55165	0.7
204.93636	0.8
209.15404	0.9
243.07814	0.9
254.06244	0.7
271.06192	3.6
314.47342	0.8
353.11511	0.8
373.22372	15.9
387.27225	0.7
433.15073	1.1
433.20282	4.3
433.24487	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	433.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39782	0.4
51.90584	0.4
53.12877	0.5
54.08469	0.4
55.07953	0.4
56.93942	0.4
57.03449	0.4
59.01383	100.0
60.29762	0.4
61.98829	3.0
66.18735	0.5
67.68146	0.4
71.01363	3.7
73.02940	0.9
83.01414	0.7
85.02942	2.3
89.02450	0.9
99.00918	0.7
101.02438	3.9
113.02473	1.2
117.88924	0.6
133.35854	0.5
134.26822	0.6
161.04590	2.4
182.08205	0.5
244.12746	0.6
313.08603	0.6
372.47559	0.6
373.22397	17.4
433.15073	0.6
433.24677	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	434.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23283	0.6
56.48212	0.6
57.03438	0.8
58.23208	0.6
59.01381	15.5
71.01385	12.4
72.99298	1.2
73.02962	1.0
75.00865	10.7
79.47393	0.8
85.02944	12.3
87.00861	2.6
89.02448	4.7
95.01366	3.4
99.00878	7.1
103.00346	1.7
111.00944	0.9
112.04031	11.7
113.02441	19.0
115.00365	0.9
117.01952	3.6
121.61544	0.8
124.04025	12.6
140.07222	7.1
157.25018	0.7
166.05096	15.7
168.00635	3.2
169.00996	1.4
184.06145	31.8
231.05026	0.9
249.06168	20.2
264.99115	0.9
267.07196	13.8
274.80048	0.9
373.29868	0.8
416.12830	0.8
434.13129	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.5
57.03447	2.6
59.01379	29.0
60.01712	2.3
61.01791	0.4
61.98835	13.1
71.01376	9.0
72.02561	0.3
73.02936	2.4
83.01387	2.1
85.02950	4.1
89.02441	7.4
99.00853	0.7
99.04540	1.7
101.02438	9.3
113.02438	4.8
119.03474	1.8
120.01243	0.7
125.02379	0.5
130.08728	40.7
148.43918	0.4
161.04611	0.4
184.17044	0.6
210.18628	1.0
218.56258	0.4
228.19720	4.6
254.17599	4.2
266.38669	0.4
269.13007	0.5
272.18704	2.3
273.37350	0.5
300.01373	0.4
313.12015	0.8
374.19119	0.5
396.19409	1.5
416.22952	2.6
434.24005	100.0
438.86798	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30606	1.9
51.67572	2.1
52.71351	2.9
55.65597	2.2
57.85304	2.1
58.57867	2.4
59.01382	44.2
61.98835	3.1
71.01376	17.1
85.02961	4.5
87.00850	4.0
89.02429	26.6
93.03427	19.4
96.96005	25.4
101.02451	6.2
111.04495	6.5
112.20825	2.6
113.02419	12.6
114.18111	2.9
115.04008	4.2
119.03488	6.0
119.05013	88.5
121.02918	10.8
161.84805	3.0
163.03973	35.3
173.04518	29.2
179.05609	13.5
189.05614	3.5
191.05659	11.9
197.68129	3.1
217.08763	11.5
261.07709	100.0
305.83084	3.1
337.09329	4.8
435.12997	53.1
435.18604	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	435.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70135	0.3
57.03446	0.5
59.01376	1.7
67.01889	1.9
69.03464	0.4
69.73662	0.4
70.65541	0.4
71.01373	2.8
73.51432	0.4
76.43959	0.4
77.57761	0.4
81.03438	0.4
83.37612	0.4
85.02931	1.0
86.84261	0.4
89.58343	0.4
93.03449	13.3
105.43294	0.4
107.78355	0.4
111.04503	3.9
113.02432	0.4
119.05021	14.4
121.02926	1.9
137.02454	4.3
155.03508	4.0
163.04012	6.0
173.04547	100.0
189.05656	0.6
191.05624	4.1
204.49821	0.4
209.87117	0.4
217.08765	1.7
228.85274	0.4
261.04846	0.5
261.07672	12.9
273.22806	0.4
337.09253	7.3
384.06863	0.6
398.84692	0.5
435.12982	14.2
435.18179	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.151
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05912	0.5
54.32556	0.5
57.03449	1.5
57.04463	0.6
57.54340	0.5
59.01378	13.5
63.42306	0.6
68.99794	0.7
71.01369	7.6
73.02935	0.8
85.02943	8.0
87.00857	3.2
89.02448	2.6
90.36619	0.6
91.03997	1.0
95.01363	2.6
99.04514	1.3
101.02419	1.3
103.00398	0.7
109.06593	17.9
111.00842	1.2
113.02443	16.0
127.07642	100.0
129.01927	0.8
149.04475	1.5
153.05606	1.0
171.06621	7.4
205.07100	1.1
245.10284	1.0
263.07791	3.8
281.08704	3.9
303.10959	1.4
321.85809	0.7
326.71939	0.7
349.06802	1.3
360.77139	0.8
403.12494	4.6
417.13956	2.3
435.15039	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	435.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	81.2
59.01384	100.0
64.02271	1.1
66.40038	1.0
71.01382	2.4
81.03455	2.7
92.23157	2.3
99.04510	88.3
99.46450	1.0
99.85790	1.1
101.02435	21.9
118.17949	1.2
123.04517	2.2
125.02417	26.9
139.71298	1.3
143.03494	1.7
159.13867	1.2
161.04579	1.5
167.03523	9.5
218.00302	1.3
249.13409	6.9
273.07648	8.1
291.14615	1.7
328.09229	1.2
375.20358	1.9
435.18341	4.9
435.23410	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	435.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43038	1.9
57.03450	100.0
59.01100	4.5
59.01380	79.1
59.75101	2.4
64.93712	1.6
67.20181	2.1
71.01379	10.8
73.02962	3.4
76.27071	1.8
83.01391	2.8
83.28899	2.4
85.02949	4.6
95.69845	2.0
99.04514	87.1
101.02437	39.7
113.02453	10.4
125.02429	34.1
143.03516	3.3
161.04475	2.6
291.18103	16.7
332.37094	2.5
333.19238	10.4
354.82492	2.3
435.22473	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	435.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70967	1.5
57.03450	100.0
58.40617	1.8
59.01381	90.0
63.08884	2.1
70.03665	2.1
71.01381	10.0
73.02950	2.7
77.52724	1.8
82.44547	1.8
85.02937	2.3
99.04510	97.6
101.02442	36.9
105.75480	2.1
113.02454	7.9
125.02431	39.8
141.60658	2.1
143.03514	7.9
151.05901	2.4
161.04587	3.2
251.89590	2.3
291.18188	17.3
333.19144	9.6
373.22391	3.0
417.81665	2.1
435.22440	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	435.2239
Annotation	HC-toxin
Peak:m/z	Relative Intensity
53.49974	1.1
57.03451	100.0
59.01379	77.1
63.41552	1.4
63.52410	1.2
68.69048	1.4
71.01373	8.2
73.02905	1.8
78.35533	1.4
83.01416	1.6
83.33860	1.3
85.02935	3.1
91.66468	1.3
99.00881	1.6
99.04508	82.4
99.05159	3.1
101.02436	31.5
113.02422	3.3
125.02416	38.4
138.50565	1.7
140.57719	1.4
143.03455	6.1
156.41490	1.6
159.02983	1.7
161.04573	2.4
166.96703	1.7
189.87045	1.4
214.19304	1.5
272.45502	1.5
291.18143	11.8
333.19156	10.7
347.42023	1.8
407.88715	1.8
435.22357	19.6
440.44980	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	436.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36167	0.6
59.01376	1.7
60.05050	0.6
61.98838	0.7
71.01382	1.0
85.04063	3.1
86.02483	4.9
87.00879	3.9
101.02448	1.0
104.03535	41.3
113.03542	1.4
125.07116	1.1
127.05152	8.9
128.03537	17.6
129.06676	0.9
133.06947	10.8
135.05637	1.8
141.05574	1.2
149.01328	0.8
152.08336	1.0
153.06708	4.0
171.07785	3.0
173.05678	64.0
179.04646	12.8
194.09485	0.8
196.07382	1.4
197.05673	8.1
200.04442	1.5
239.91696	0.7
240.09921	5.9
284.08917	1.6
302.10043	8.4
307.13354	4.5
418.16574	3.8
436.17673	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	436.238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80297	0.5
53.09829	0.5
59.01372	0.6
79.95738	23.5
80.96510	2.4
96.95994	2.7
141.12848	0.9
153.12791	0.6
157.12325	5.5
193.09221	0.5
197.11861	1.8
208.49725	0.5
214.14497	14.8
221.08542	100.0
278.10703	13.9
330.57352	0.6
361.34479	0.5
365.11990	0.5
400.11456	0.8
436.23724	0.9
451.96017	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1223
Annotation	Villinol
Peak:m/z	Relative Intensity
57.03445	4.4
57.42816	2.0
59.01385	10.6
64.81608	2.1
71.01398	3.4
73.02934	2.9
75.49154	2.1
80.24795	2.2
92.22659	3.4
96.03226	2.2
101.02437	10.6
105.35719	2.5
154.35599	2.6
161.04596	3.0
173.08083	2.6
229.34103	2.6
237.17099	2.7
252.99745	2.8
401.14606	38.6
428.58127	2.4
437.12097	100.0
437.17636	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	437.1455
Annotation	sec-o-Glucosylhamaudol
Peak:m/z	Relative Intensity
53.94432	0.4
55.69423	0.4
59.01377	2.4
63.56393	0.5
70.70998	0.5
71.01380	0.8
89.02430	0.6
93.03456	5.1
101.02400	0.6
106.47644	0.5
109.02948	14.2
113.02393	0.6
121.02928	7.0
122.03736	3.3
123.04514	18.9
123.05399	0.8
128.49149	0.5
133.02927	1.0
134.03708	2.1
135.04521	2.4
147.04489	0.7
148.01639	3.3
149.02440	11.6
150.03223	12.1
151.04001	100.0
163.04004	5.1
165.05576	4.0
193.04996	0.6
215.07085	0.8
239.07155	1.1
257.08209	83.2
271.08084	0.7
275.09244	11.4
300.60614	0.6
359.03186	0.6
419.13562	3.7
437.16000	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	437.1455
Annotation	sec-o-Glucosylhamaudol
Peak:m/z	Relative Intensity
53.94432	0.4
55.69423	0.4
59.01377	2.4
63.56393	0.5
70.70998	0.5
71.01380	0.8
89.02430	0.6
93.03456	5.1
101.02400	0.6
106.47644	0.5
109.02948	14.2
113.02393	0.6
121.02928	7.0
122.03736	3.3
123.04514	18.9
123.05399	0.8
128.49149	0.5
133.02927	1.0
134.03708	2.1
135.04521	2.4
147.04489	0.7
148.01639	3.3
149.02440	11.6
150.03223	12.1
151.04001	100.0
163.04004	5.1
165.05576	4.0
193.04996	0.6
215.07085	0.8
239.07155	1.1
257.08209	83.2
271.08084	0.7
275.09244	11.4
300.60614	0.6
359.03186	0.6
419.13562	3.7
437.16000	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	437.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53047	0.8
54.92029	0.8
55.24940	0.9
56.67331	0.8
57.03202	1.1
57.03455	25.1
59.01383	23.7
59.24021	0.8
67.01849	1.1
71.01358	6.2
74.89439	0.9
77.73901	1.0
78.48155	0.7
83.01370	1.5
83.05001	3.9
85.02922	6.7
87.00854	4.3
89.02433	1.9
95.01384	1.7
99.04516	22.7
101.02448	8.8
111.00893	1.2
111.08155	100.0
113.02442	8.8
125.02442	9.9
129.01881	1.1
129.09157	4.0
143.03516	1.7
149.74664	1.2
173.08188	99.9
247.11880	1.7
247.48827	1.1
263.07602	4.3
278.27765	1.0
293.16049	1.5
335.16977	4.2
361.15002	3.5
375.20068	1.0
405.13760	4.6
437.16434	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	437.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.5
58.01800	0.5
59.01388	5.7
63.86631	0.4
71.01396	0.5
79.95727	15.5
79.96175	0.6
80.96489	4.2
84.52575	0.5
85.02979	0.5
85.10906	0.5
96.96000	9.0
99.04502	2.0
101.02434	0.4
101.69141	0.5
103.99501	0.6
125.09703	10.5
130.12314	0.5
159.83028	0.5
170.11842	1.8
174.08820	0.5
186.11357	65.0
222.08047	2.3
250.07558	100.0
266.07083	2.1
437.19394	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	437.203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48318	1.3
56.24626	1.2
57.03449	2.0
59.01382	59.9
61.98825	6.2
67.67713	1.1
71.01374	22.2
73.02939	18.7
83.01377	2.3
85.02931	14.8
87.00841	1.5
89.02425	8.3
99.00892	10.5
101.02434	35.2
104.42051	1.6
111.80198	1.6
113.02444	15.1
125.02441	1.3
133.13071	1.2
143.03433	2.0
159.02934	2.0
161.04576	12.4
245.17354	1.6
262.27048	1.4
262.78647	1.4
263.15063	22.3
267.51718	1.4
279.29263	1.2
305.16052	1.9
356.41525	1.7
395.19156	24.9
437.20169	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	437.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
57.03451	1.1
59.01381	66.4
67.28236	0.8
71.01379	44.1
73.02940	14.6
77.83932	1.0
78.69359	0.9
83.01385	1.3
85.02936	6.0
89.02438	100.0
95.01368	1.0
99.00876	31.9
101.02441	34.0
113.02446	16.8
115.04049	1.2
119.03497	9.0
125.02406	5.0
130.63225	0.9
131.03511	11.5
143.03485	1.8
149.02585	1.0
149.04549	29.6
161.04546	1.8
165.05589	1.1
167.03516	1.6
179.05606	1.7
182.56819	0.8
185.31801	0.8
187.69307	0.9
191.05621	11.6
195.64758	1.0
220.49263	1.1
221.06715	1.5
251.07861	3.9
260.50470	0.9
305.16238	1.0
375.34964	1.0
401.14664	1.2
437.11807	4.9
437.20358	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	437.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64890	0.5
59.01381	49.0
60.49438	0.6
61.98829	1.4
62.95633	0.7
71.01376	33.2
73.02941	9.5
83.01376	1.1
84.85149	0.7
85.02938	5.0
89.02435	67.2
95.01408	0.8
97.02937	0.6
99.00871	20.4
101.01784	1.2
101.02439	29.5
104.20770	0.7
113.02438	14.2
119.03468	9.7
125.02430	2.5
131.03500	5.4
136.25336	0.7
143.03416	0.9
149.04550	16.1
161.04517	0.9
179.05638	1.0
191.05638	7.0
195.13905	1.6
221.06601	0.7
239.12904	1.1
251.07787	1.2
257.21780	0.7
269.65585	0.7
293.08893	0.9
335.33521	0.7
401.20236	1.0
403.48032	0.7
437.20349	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64778	2.3
55.12162	2.3
57.50644	3.3
67.18554	2.8
73.22585	2.5
75.63691	2.5
92.23091	4.8
130.52571	3.0
134.05780	2.7
145.33176	2.9
148.50381	3.1
191.16534	3.1
209.11890	7.0
230.89462	3.3
232.11729	2.9
239.34718	3.0
352.72491	3.6
437.23175	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64778	2.3
55.12162	2.3
57.50644	3.3
67.18554	2.8
73.22585	2.5
75.63691	2.5
92.23091	4.8
130.52571	3.0
134.05780	2.7
145.33176	2.9
148.50381	3.1
191.16534	3.1
209.11890	7.0
230.89462	3.3
232.11729	2.9
239.34718	3.0
352.72491	3.6
437.23175	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64778	2.3
55.12162	2.3
57.50644	3.3
67.18554	2.8
73.22585	2.5
75.63691	2.5
92.23091	4.8
130.52571	3.0
134.05780	2.7
145.33176	2.9
148.50381	3.1
191.16534	3.1
209.11890	7.0
230.89462	3.3
232.11729	2.9
239.34718	3.0
352.72491	3.6
437.23175	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96451	11.0
52.57447	9.7
59.01382	88.3
61.98824	100.0
78.95905	25.0
156.15611	13.6
189.26167	11.2
207.79106	11.2
317.30417	11.4
378.04913	12.5
437.24155	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	437.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10797	7.1
61.98847	11.0
66.59943	7.2
67.94986	9.2
70.98781	7.0
79.95758	10.2
90.86928	7.4
96.95998	73.1
186.20789	9.0
368.52542	8.3
393.24072	13.6
437.22614	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28468	5.8
61.98830	10.7
69.43306	6.1
75.66618	5.8
78.72185	7.1
80.67576	6.4
90.93837	6.5
92.23016	7.8
95.09493	6.6
99.10210	6.9
107.21064	6.4
127.65958	6.6
137.18932	6.8
227.12914	9.0
237.95642	7.8
301.16660	9.8
399.95010	8.5
420.10416	8.1
437.23154	100.0
437.29453	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	437.2395
Annotation	Tyr Val Arg
Peak:m/z	Relative Intensity
51.44807	0.4
52.49553	0.4
57.03448	0.6
57.79926	0.5
59.01381	48.9
60.01178	0.4
61.95957	0.4
71.01373	9.3
73.02940	5.2
83.01382	2.7
85.02942	7.4
89.02430	1.1
99.00843	1.9
101.02432	14.5
107.68584	0.4
111.00882	1.0
113.02431	5.7
119.03578	0.5
124.94198	0.4
159.03001	0.8
161.04527	0.9
186.09232	0.4
215.16544	2.3
221.56450	0.5
235.50072	0.5
243.11957	0.5
257.17615	0.6
377.21793	2.1
419.22842	2.6
437.23969	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	33.2
69.96576	3.5
71.01370	28.4
73.02935	21.9
83.01375	6.8
85.02953	23.6
87.11495	4.1
89.02387	5.0
92.23016	7.2
101.02434	43.1
112.87272	4.1
113.02451	17.5
134.13939	4.5
139.14626	4.7
143.39905	4.0
151.34842	4.1
262.71313	5.9
305.19745	21.9
312.05835	4.9
425.60986	4.5
437.23956	100.0
451.50732	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	437.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00591	0.9
55.01878	1.1
57.03447	1.3
59.01104	1.2
59.01382	22.4
63.28889	0.9
71.01014	1.2
71.01381	26.8
73.02938	18.7
74.86933	0.8
75.00863	1.2
75.71962	0.9
77.38108	0.7
79.15855	0.8
83.01374	6.9
85.02949	20.4
87.00890	1.7
89.02433	6.6
95.01396	1.8
97.02977	1.0
99.00874	6.0
100.32993	0.9
101.02437	45.4
105.94184	0.8
113.02446	17.0
115.03990	1.0
125.02426	1.4
131.03479	1.1
159.02974	1.6
161.04556	5.9
198.34399	0.9
222.68672	0.9
229.13158	0.8
247.94347	1.0
305.19769	18.7
330.49432	1.1
352.33389	0.9
437.23965	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.075
Annotation	Unknow
Peak:m/z	Relative Intensity
72.42377	0.4
78.95902	9.7
79.95733	0.6
80.50287	0.4
96.95998	100.0
96.96953	43.7
165.69383	0.4
237.38405	0.4
278.36447	0.4
439.08548	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	439.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95905	28.5
96.96004	95.1
96.96960	100.0
103.61712	0.6
106.23679	0.6
111.01968	0.6
120.37674	0.6
131.84363	0.7
139.94278	0.7
153.91335	0.7
207.03551	0.7
207.05606	0.7
435.25626	0.7
439.08618	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	439.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92287	0.4
57.18002	0.4
61.93892	0.3
78.95900	28.9
87.55442	0.4
96.95999	36.3
96.96953	100.0
116.60534	0.4
120.70803	0.4
137.68243	0.4
140.47606	0.4
169.75076	0.4
421.77097	0.4
439.08606	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	439.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40968	0.4
62.96417	0.4
78.95902	29.1
96.96004	35.4
96.96957	100.0
140.00832	0.4
226.35243	0.5
344.43616	0.5
416.51749	0.5
439.08575	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	439.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42077	0.4
57.03459	0.8
59.01110	1.1
59.01385	24.0
61.03549	0.4
62.73391	0.5
69.09916	0.5
69.36668	0.5
71.01375	5.7
72.41528	0.5
72.99303	1.4
73.02967	0.9
74.15062	0.5
75.00876	7.8
83.05021	1.0
85.02946	9.1
87.00853	3.6
87.65187	0.5
89.02432	3.1
94.20657	0.6
95.01372	0.7
96.96005	34.9
99.00890	6.3
99.04511	1.0
101.02441	1.0
103.00383	0.9
105.19496	0.5
105.66225	0.5
107.30594	0.7
109.06541	0.9
111.04530	4.3
113.02444	15.6
115.00327	0.8
117.01952	2.3
119.04966	0.7
120.50793	0.5
127.07644	28.7
129.01871	0.9
129.05573	30.2
141.12851	0.5
145.35861	0.5
153.05551	1.3
157.01447	0.9
161.08194	4.5
163.02753	0.6
163.04022	2.2
165.05524	2.4
171.06613	4.1
175.02501	0.8
189.07690	5.4
195.06670	1.1
249.06190	11.9
260.34903	0.6
263.11334	2.6
267.07315	4.6
356.83881	0.6
361.10886	0.7
377.14395	1.0
379.12082	1.2
379.16260	2.0
421.13565	1.1
439.14551	100.0
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	gamma-CEHC glucuronide
Peak:m/z	Relative Intensity
57.03452	99.4
59.01104	4.7
59.01382	92.2
61.98820	2.7
71.01379	19.6
73.02910	4.6
78.85492	3.2
83.91244	2.8
85.02948	3.8
95.67723	2.8
99.04517	100.0
101.02442	26.3
113.02488	4.4
125.02452	34.0
130.08730	4.3
151.17722	3.0
161.04565	6.8
177.77303	3.3
203.05583	3.2
235.66568	4.3
337.12830	11.2
439.16058	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	439.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88687	1.9
57.03454	2.9
59.01385	28.9
66.48106	2.0
69.55190	2.0
71.01369	25.6
73.02944	13.9
83.01404	4.0
85.02951	15.4
89.02446	16.3
92.22540	4.6
92.23085	4.6
96.95989	2.5
99.00855	4.5
101.02432	37.7
113.02449	11.4
117.46506	2.5
149.04552	2.7
152.88239	2.2
161.04533	9.2
167.53607	2.7
207.32202	2.7
307.17734	14.4
397.17120	14.1
439.05121	3.6
439.17358	100.0
439.22104	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	439.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01099	1.6
59.01379	31.7
68.00246	0.9
71.01375	22.3
73.02935	5.3
79.11655	0.8
82.90260	0.9
83.01370	0.9
85.02937	1.1
89.02434	54.7
89.48954	0.9
90.20159	0.8
96.96017	2.2
99.00855	10.0
101.02447	21.2
113.02446	11.7
119.03469	10.8
125.02460	1.2
131.03506	4.5
143.03484	1.1
149.04559	9.1
161.04599	1.6
174.93152	0.9
179.05661	1.6
191.05643	4.1
225.66805	1.0
299.41840	1.1
323.19370	0.9
379.16113	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33241	0.3
51.29595	0.3
59.01400	0.5
60.50710	0.3
61.98833	100.0
62.66580	0.3
69.06395	0.4
77.10948	0.4
91.29045	0.4
110.25478	0.4
116.92873	0.5
126.18961	0.4
211.68172	0.4
292.43390	0.5
379.21332	0.5
439.15619	0.6
439.21252	0.7
439.26764	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
92.22479	1.3
96.22430	0.8
96.96002	3.8
133.06538	1.4
140.98920	0.9
287.16531	4.9
439.24991	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	439.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71948	0.8
55.44120	0.9
59.01382	100.0
59.34676	0.9
60.57071	0.8
64.32079	0.8
77.08191	0.8
78.95905	1.0
79.12248	0.8
79.32449	0.8
84.42294	0.9
85.20426	1.0
90.34752	0.9
105.04469	0.9
133.06647	1.2
179.88504	1.0
229.12369	2.4
287.16504	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	439.2471
Annotation	Scoparic acid A
Peak:m/z	Relative Intensity
54.12676	10.5
59.01382	28.1
62.80211	10.5
65.65204	10.1
70.93857	10.2
110.98544	16.6
117.49975	11.3
141.32451	12.2
197.97105	11.3
439.24643	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2471
Annotation	Scoparic acid A
Peak:m/z	Relative Intensity
50.07911	7.4
50.68045	6.5
54.13319	5.6
54.56603	6.2
60.44789	5.9
66.16772	6.1
67.15469	6.9
68.20484	8.7
76.97850	8.8
88.37682	6.9
92.23129	13.8
96.58307	7.1
129.42992	7.1
265.71927	8.4
333.76608	8.4
344.02219	8.1
359.80167	8.2
438.81396	8.5
439.24686	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	439.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25293	1.7
54.71072	1.6
56.62041	1.7
59.01380	22.5
61.98823	4.3
71.01374	16.3
73.02942	13.7
75.48786	1.9
85.02943	8.3
89.02441	3.2
101.02406	3.2
113.02429	11.8
116.14837	2.2
196.32739	1.8
261.22348	2.1
264.87082	2.4
273.22333	4.4
277.21735	100.0
291.23340	36.9
299.55963	2.2
319.22833	17.7
331.22891	7.9
421.10025	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	439.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47578	1.5
51.72396	1.7
59.01383	24.7
61.98832	2.4
66.17893	1.8
71.01373	19.4
73.02930	4.9
75.44814	1.6
78.08286	2.1
85.02930	4.7
86.47398	1.8
89.02390	2.4
113.02438	14.3
124.79387	1.9
125.48121	2.2
138.43381	2.2
155.67126	1.9
273.22275	4.5
277.21750	100.0
291.23395	32.1
301.21729	4.0
319.22629	15.7
401.82590	2.5
425.24893	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	439.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
59.38423	1.1
60.98572	1.2
64.14429	1.4
71.00324	1.2
71.01382	1.4
87.13046	1.4
92.22506	1.9
175.32628	1.4
323.43527	1.5
333.29294	5.2
361.28632	2.1
379.29675	38.6
406.44260	1.7
456.84683	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	439.318
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	1.4
59.01380	100.0
70.88877	1.2
125.87303	9.5
157.86307	2.1
254.21312	1.9
333.29050	1.8
361.28641	1.5
367.45078	1.6
378.77505	1.5
379.29645	40.7
408.80692	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	439.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
66.11790	0.2
73.35727	0.2
80.11349	0.2
114.27397	0.2
146.78159	0.2
177.67009	0.2
204.57617	0.2
316.37674	0.2
348.63721	0.2
406.81284	0.2
439.35870	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72859	1.2
57.03452	100.0
59.01383	53.1
61.98826	2.8
71.01382	19.8
72.18361	1.4
73.02923	2.0
85.02970	6.5
89.02450	17.1
95.01399	2.1
99.04513	87.0
101.02429	39.0
113.02448	25.0
119.03474	5.9
123.04526	1.6
125.02444	42.7
143.03511	6.2
150.55867	1.3
158.14102	1.4
160.07611	1.2
161.02142	1.4
161.04561	9.7
175.03995	2.0
176.04308	1.5
177.05562	9.7
178.05913	7.5
179.05647	1.8
221.06419	1.5
278.10110	1.4
296.11600	2.0
338.12503	3.0
440.15137	13.3
440.20972	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	440.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72859	1.2
57.03452	100.0
59.01383	53.1
61.98826	2.8
71.01382	19.8
72.18361	1.4
73.02923	2.0
85.02970	6.5
89.02450	17.1
95.01399	2.1
99.04513	87.0
101.02429	39.0
113.02448	25.0
119.03474	5.9
123.04526	1.6
125.02444	42.7
143.03511	6.2
150.55867	1.3
158.14102	1.4
160.07611	1.2
161.02142	1.4
161.04561	9.7
175.03995	2.0
176.04308	1.5
177.05562	9.7
178.05913	7.5
179.05647	1.8
221.06419	1.5
278.10110	1.4
296.11600	2.0
338.12503	3.0
440.15137	13.3
440.20972	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	441.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55088	0.7
53.62436	0.8
56.05889	0.8
56.33418	0.7
59.01379	4.0
60.59208	0.9
77.15627	0.8
112.98565	1.1
115.35440	0.9
130.86107	1.0
164.64856	1.3
200.12943	1.1
225.15013	1.3
228.16119	2.0
242.17494	3.1
243.04550	6.5
249.61414	1.0
269.09775	98.5
281.04822	3.7
310.86514	1.0
341.08252	11.4
351.17593	69.0
369.18652	54.5
369.23358	1.6
441.17145	100.0
441.33707	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	441.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	55.0
59.01384	100.0
70.43415	1.4
70.78413	1.3
71.01383	11.3
71.08493	1.3
73.02936	3.0
82.00301	1.5
83.01404	1.9
85.02950	2.6
89.02435	6.5
98.10764	1.4
99.00849	1.7
99.03893	2.5
99.04515	59.6
101.02435	25.9
105.42341	1.3
107.37161	1.3
113.02444	9.0
119.03508	1.5
125.02439	23.4
136.56238	1.5
141.26422	1.4
143.03532	2.4
152.47542	1.4
161.04546	5.7
190.02742	2.5
307.82706	1.6
333.53995	1.3
339.14539	5.8
405.17749	14.0
408.71899	1.5
409.10239	1.8
441.17560	10.5
463.03909	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	441.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79724	1.0
59.01386	10.8
66.60505	0.9
67.85153	0.9
68.71343	1.3
71.01371	20.4
71.62013	1.1
73.02945	15.9
83.01373	2.6
85.02950	9.7
89.02418	8.4
97.02919	1.3
99.00864	6.4
101.02436	37.4
102.58521	1.3
107.36763	1.2
113.02451	14.3
137.02133	1.0
143.03455	1.2
148.10356	1.1
149.06090	1.3
159.03015	4.5
160.19705	1.1
161.04547	13.4
173.72289	1.4
193.05063	7.3
249.13454	28.9
377.51886	1.3
381.17694	100.0
441.24011	4.5
456.72034	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	441.198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	9.4
71.01371	15.0
73.02947	16.0
83.01359	1.7
85.02940	9.0
89.02429	5.4
99.00864	3.2
101.02446	33.6
103.00768	1.3
113.02444	16.0
143.03471	1.5
159.02971	1.7
161.04561	14.7
185.84683	1.3
204.76791	1.3
249.13470	30.0
273.05710	1.6
350.56454	1.3
381.17697	100.0
422.58197	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	441.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.0
58.04107	1.0
59.83711	0.6
66.70358	0.6
69.33679	0.6
74.03587	4.2
80.09711	0.6
91.04047	1.1
99.00864	10.9
107.02151	0.7
137.04817	3.1
151.92586	0.6
164.14433	6.5
190.12425	7.1
192.13995	1.1
208.13452	33.7
230.15541	0.9
248.16570	29.1
266.17636	48.9
281.18716	4.7
292.15585	6.3
310.16666	1.5
323.20874	4.5
367.19589	1.1
384.20328	5.4
422.25629	0.7
441.23605	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	441.25
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96054	1.4
57.90200	1.3
58.16238	1.3
58.72695	1.1
59.01382	100.0
60.47946	1.2
60.48252	1.2
65.08807	1.5
99.99990	1.4
103.20860	1.6
109.06628	2.4
111.04539	1.4
127.07571	1.6
130.08803	2.6
153.85417	1.7
158.78403	1.5
158.96231	1.5
160.60640	1.6
167.10606	1.3
195.13899	5.8
219.15814	1.4
243.08180	6.6
254.89781	1.5
269.06097	8.0
272.47202	1.6
289.18161	77.4
293.88690	1.8
307.19095	12.5
347.01324	1.6
351.17542	3.6
363.21759	10.1
369.18723	6.8
381.22772	7.4
441.17139	16.4
463.28799	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	441.25
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93559	0.7
57.08624	0.7
59.01381	100.0
59.14960	0.6
60.97448	0.6
69.44334	0.8
82.97722	0.9
89.59492	0.7
92.91451	0.8
97.06590	4.9
121.06563	5.4
125.09694	1.7
131.67726	0.8
185.11807	7.9
187.85426	0.9
209.11824	1.1
211.13402	3.6
230.82310	1.0
235.13393	6.0
246.21507	0.8
289.18176	8.7
307.19162	16.1
309.17062	4.8
351.17590	24.0
363.21674	3.3
369.18631	1.7
381.23221	1.1
441.16772	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	441.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00481	0.8
59.01383	100.0
63.66180	1.1
85.00295	1.0
92.39969	1.0
135.18369	1.0
226.85617	1.0
289.18240	2.3
307.19220	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	441.2499
Annotation	2-glyceryl-prostaglandin G2
Peak:m/z	Relative Intensity
59.01383	100.0
104.12921	1.5
149.66954	1.4
181.96205	1.4
288.64771	1.4
289.18048	2.6
307.19147	6.7
441.30737	1.7
441.37045	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	441.253
Annotation	Lys Phe Phe
Peak:m/z	Relative Intensity
55.41742	0.4
63.22504	0.4
70.26627	0.5
75.52906	0.4
79.95731	1.9
94.98058	0.5
96.96002	40.5
122.97561	3.1
176.79048	0.5
188.22427	0.4
237.71733	0.6
254.57895	0.5
288.16962	0.5
330.03302	0.5
441.25333	100.0
441.37399	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	441.2532
Annotation	Lys Phe Phe
Peak:m/z	Relative Intensity
53.43927	0.3
59.61046	0.3
62.50195	0.4
72.37441	0.4
77.31200	0.3
79.95706	2.7
91.03781	0.3
95.95281	0.4
96.95999	42.4
122.80643	0.3
122.97574	4.2
137.26727	0.3
148.80313	0.4
156.09683	0.4
169.56233	0.3
194.25964	0.3
259.54974	0.3
441.25308	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21156	0.1
56.02156	0.2
59.01377	0.9
71.48446	0.2
72.99303	1.1
76.34969	0.2
78.41833	0.2
97.06581	1.8
116.82937	0.2
116.92828	1.1
129.10312	0.2
141.08566	0.2
144.00192	0.2
210.32222	0.2
225.56262	0.2
232.23778	0.2
301.90863	0.2
395.33209	14.5
423.32870	1.4
441.33789	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57846	0.2
56.90714	0.2
57.03447	0.2
100.09097	0.2
102.10359	0.2
117.77942	0.2
296.28952	0.2
311.23599	0.4
316.28598	0.3
379.29984	0.4
395.33197	7.6
423.32870	0.8
441.33783	100.0
445.21414	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	443.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89511	0.6
57.03446	1.4
59.01381	16.6
61.98831	20.3
67.99120	0.8
71.01378	16.4
72.99295	4.7
73.02932	1.3
75.00865	10.0
83.01335	0.8
85.02942	21.8
87.00867	7.0
89.02435	12.1
95.01390	6.7
97.23040	0.8
99.00864	11.2
101.02429	3.8
103.00352	1.7
113.02438	37.2
115.00378	1.4
117.01940	3.4
117.03417	1.3
129.01952	1.3
134.03735	30.9
149.04561	1.3
149.06062	6.7
149.97180	0.8
150.06856	1.1
160.01628	4.3
161.28563	0.9
167.03548	0.9
175.02519	1.8
175.03958	12.7
191.05717	0.7
193.05063	24.2
207.05141	1.5
249.06207	7.7
267.07208	65.7
425.10788	1.2
443.11993	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	443.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16558	0.6
57.03440	0.9
59.01377	12.3
61.43800	0.7
62.05048	0.6
68.43256	0.6
69.03448	1.0
71.01366	10.8
72.99306	1.7
73.02930	1.0
74.05412	0.7
75.00874	10.7
79.92752	0.6
85.02948	15.4
87.00864	6.8
89.02430	5.7
91.04001	0.8
92.23161	0.8
93.03425	0.8
95.01375	1.9
99.00878	8.0
101.02456	0.8
103.00361	1.3
113.02436	24.1
115.00291	1.0
117.01897	4.0
117.03447	4.4
123.92120	0.8
128.03464	1.3
129.01913	1.7
130.08723	0.7
131.03531	0.9
134.02715	1.4
134.03726	35.3
135.04492	1.3
145.02928	6.4
149.06038	7.9
152.01102	1.4
157.12364	0.8
160.01660	1.7
161.02397	2.8
163.03917	0.9
167.03438	4.7
175.02547	1.4
175.03975	6.2
179.03430	1.8
193.03366	1.3
193.05060	34.3
195.06650	13.3
207.05003	1.4
249.06157	14.3
252.06355	1.2
267.04422	1.5
267.07172	33.4
399.13120	1.2
443.11874	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	443.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	16.1
59.01382	23.6
60.46189	1.4
65.15924	1.3
66.09066	1.2
67.01842	1.4
69.33795	1.4
71.01377	19.8
72.99299	2.3
73.02933	3.4
75.00864	10.4
77.11574	1.3
85.02946	21.2
87.00860	8.3
89.02448	10.8
95.01364	2.9
99.00883	11.1
99.04512	11.6
101.02414	8.8
113.02438	37.9
117.01887	2.0
117.03373	1.8
119.03432	1.5
119.04979	3.0
125.02412	5.4
129.01973	1.8
134.03732	42.7
135.04507	1.7
143.03847	1.2
149.06044	8.7
161.02452	1.8
175.02588	1.7
175.03960	10.3
193.05058	46.1
203.30644	1.9
247.08673	1.4
249.06192	17.1
267.07172	36.7
281.10294	3.2
299.11386	1.7
341.12280	2.0
372.67255	1.5
443.11862	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	100.0
59.01374	61.0
60.49736	3.6
71.01374	60.9
73.02930	8.5
73.30126	3.8
85.02960	9.4
88.04040	6.2
89.02441	68.6
91.88799	3.9
99.04525	68.7
101.02427	40.1
113.02449	74.8
118.05126	5.3
119.03500	21.2
119.05022	18.3
125.02425	36.1
127.05109	6.3
140.75267	3.8
140.86531	3.9
142.03809	4.3
143.03365	6.4
145.06215	6.7
149.06161	6.7
167.03534	6.2
179.05663	4.8
193.05034	4.9
218.02357	5.5
229.78351	5.5
281.10281	39.6
299.11429	85.0
341.12445	27.8
376.70319	4.9
431.19293	5.0
443.15765	39.4
443.25165	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	443.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	100.0
59.01099	2.8
59.01380	59.3
71.01382	36.6
73.02945	8.8
75.93832	1.4
85.02932	10.2
89.02435	31.0
95.01354	1.8
99.04516	94.1
101.02425	38.3
113.02437	34.6
119.03469	12.2
119.04990	26.4
120.71441	1.7
123.36806	1.6
125.02438	65.8
131.03505	1.9
143.03473	3.6
158.46307	1.4
161.04572	2.6
163.35754	2.1
170.08055	1.5
179.05638	2.5
180.11902	1.6
281.10336	40.5
299.11459	34.2
341.12436	29.3
362.86792	1.6
381.15585	4.0
443.15692	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	443.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	44.6
65.89190	1.6
69.90810	1.6
71.01374	26.6
73.02940	10.2
85.02945	7.5
89.02438	100.0
99.00878	25.8
101.02435	32.4
112.98550	4.2
113.02444	13.3
115.08784	2.3
123.04540	1.9
125.02412	1.7
128.03566	2.5
131.03491	10.6
136.03981	1.7
149.04550	50.2
154.99658	3.7
160.34328	1.7
161.04556	3.2
165.05582	2.8
167.06845	4.0
171.77661	1.8
180.10274	1.7
191.05602	15.0
193.04822	12.0
221.06659	13.0
249.06212	8.4
251.07796	3.3
263.13992	3.4
267.07227	3.0
275.00006	2.9
281.72562	2.0
293.08685	2.9
311.09836	14.7
443.11755	35.1
443.25327	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	443.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	86.4
58.91988	1.1
59.01381	100.0
60.00383	1.1
63.90374	1.2
65.70544	1.1
71.01367	14.0
71.35392	1.3
73.02942	6.1
73.09637	1.4
74.64371	1.4
75.85106	1.2
78.62068	1.2
85.02940	9.4
89.02435	1.5
99.04513	84.9
101.02431	28.2
103.30872	1.3
108.02151	1.5
113.02434	7.8
125.02429	38.9
140.58018	1.3
143.03502	5.1
161.04530	7.6
161.09700	2.3
187.11346	2.2
237.25444	1.5
299.11383	10.0
341.12408	13.7
348.71329	1.5
403.21042	1.6
443.15213	5.6
443.19772	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	443.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	86.4
58.91988	1.1
59.01381	100.0
60.00383	1.1
63.90374	1.2
65.70544	1.1
71.01367	14.0
71.35392	1.3
73.02942	6.1
73.09637	1.4
74.64371	1.4
75.85106	1.2
78.62068	1.2
85.02940	9.4
89.02435	1.5
99.04513	84.9
101.02431	28.2
103.30872	1.3
108.02151	1.5
113.02434	7.8
125.02429	38.9
140.58018	1.3
143.03502	5.1
161.04530	7.6
161.09700	2.3
187.11346	2.2
237.25444	1.5
299.11383	10.0
341.12408	13.7
348.71329	1.5
403.21042	1.6
443.15213	5.6
443.19772	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	443.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12043	0.9
55.01873	1.9
59.01377	15.3
59.99087	1.1
68.34486	1.0
68.54534	1.1
71.01411	1.1
73.02938	1.1
83.01348	1.1
101.02418	1.1
102.01956	13.8
110.02434	1.4
112.98797	2.4
112.99879	2.6
119.73299	1.1
119.74169	1.0
124.98603	1.0
124.99912	1.2
127.01479	8.9
129.01965	1.5
130.01460	10.7
143.00984	20.6
153.03021	1.4
154.01450	4.7
154.99854	29.5
155.01038	2.1
165.01912	1.4
165.12851	21.2
172.02493	2.5
173.02005	1.9
179.00917	1.4
183.13890	100.0
190.03560	1.4
209.11932	1.6
215.02998	1.4
225.14996	1.5
227.12910	52.9
233.04160	6.4
283.02417	1.4
382.15024	4.9
383.13599	10.0
400.16013	14.5
443.10437	2.5
443.16769	13.1
443.22427	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	443.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55044	2.0
57.03449	30.1
59.01387	59.4
68.63482	2.3
71.01376	10.4
73.02944	4.2
85.02923	8.9
86.02488	27.3
87.00890	11.0
89.02445	3.9
99.02007	17.2
99.04524	31.9
101.02437	12.4
110.02497	3.6
111.01949	3.6
113.02434	4.1
124.99905	3.5
125.02398	4.7
128.03554	5.0
143.00980	13.8
153.03069	4.0
165.12854	38.7
167.00949	5.0
169.17784	2.6
183.13898	100.0
192.76321	2.9
193.05022	3.6
197.15459	4.3
198.36754	3.0
207.13914	9.3
209.11829	2.9
215.03069	3.5
217.15292	3.1
225.14970	3.8
227.12923	64.3
251.12964	5.3
263.15088	5.1
299.05875	2.7
356.17136	20.8
357.15683	3.6
383.20694	3.1
400.16193	5.2
401.14575	3.2
407.19186	23.9
443.11734	11.1
443.16788	72.7
443.22858	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	443.1868
Annotation	3-FLUORO-5-MORPHOLIN-4-YL-N-[1-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-6-YL]BENZAMIDE
Peak:m/z	Relative Intensity
53.66822	0.5
59.01376	6.3
68.46353	0.6
88.91663	0.7
97.62338	0.7
135.80482	0.7
268.96878	0.7
271.11288	5.0
295.22711	2.5
353.19174	74.4
371.20206	100.0
381.85596	0.7
422.10941	0.7
443.18674	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	443.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.2
59.01384	85.1
61.98830	16.9
70.04556	1.5
71.01379	27.3
71.01743	2.3
73.02942	36.5
75.00887	2.0
83.01398	8.6
85.02953	11.9
87.00897	1.8
87.74210	1.4
88.09982	1.5
89.02434	11.7
89.55382	1.7
90.80238	1.4
92.23049	1.7
92.84010	1.5
95.01372	2.1
97.02899	1.8
99.00826	2.8
101.02443	26.8
113.02441	24.3
119.03529	2.0
121.06586	3.4
124.05268	3.7
131.03500	1.8
134.03716	5.8
137.06075	7.0
139.07654	100.0
144.41521	1.6
149.04691	1.7
149.06076	2.6
151.07637	5.9
161.04572	9.7
161.13354	1.5
168.07912	45.4
169.62100	1.5
175.03951	2.2
179.10783	7.9
191.10802	46.5
193.05078	7.8
203.10756	2.9
205.12218	1.6
209.11852	13.7
211.21182	1.7
221.11856	22.0
239.12915	33.0
267.07318	15.0
278.98361	1.5
283.32373	1.6
353.16071	3.5
383.17157	28.0
401.17972	2.5
403.75507	1.8
413.18195	7.0
443.11957	25.8
443.19138	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	443.1928
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
54.52162	0.7
56.25400	0.7
57.03463	3.0
59.01378	6.2
62.66006	0.7
64.97385	0.6
70.80175	0.6
70.82137	0.6
71.01377	1.6
83.05025	3.2
87.00866	8.9
95.05027	1.2
101.02446	1.4
107.05038	1.2
109.02911	0.8
109.06565	1.1
111.04522	3.3
111.08170	0.9
113.02459	3.2
123.08170	16.5
125.06107	5.9
135.04524	1.4
137.06062	1.4
137.09752	1.3
138.06882	1.1
139.07655	1.6
145.10181	1.3
149.06146	1.2
151.07635	1.3
153.05547	1.5
153.09192	1.4
169.08727	0.8
171.11783	18.9
189.12875	9.8
193.05066	0.8
201.12854	8.6
207.13925	5.4
219.13950	3.8
231.13727	0.9
237.14973	26.7
253.12860	0.7
261.15030	1.1
281.13974	100.0
295.15442	1.5
305.13953	8.0
323.14999	7.5
353.16092	1.5
355.22311	0.9
362.26376	0.9
443.21909	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	443.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88719	0.4
55.24654	0.4
56.05859	0.4
57.03452	0.8
57.11085	0.4
58.70225	0.4
59.01380	100.0
66.36987	0.5
71.01378	15.8
72.52135	0.4
73.02941	18.6
81.03455	1.0
83.01385	3.9
85.02955	5.4
87.00868	3.1
88.79498	0.5
89.02454	2.0
97.02969	0.8
99.00874	2.3
99.04516	3.9
101.02436	19.8
113.02436	10.3
119.01339	0.5
122.25308	0.5
125.02428	1.1
137.67027	0.5
143.03500	1.0
145.05095	2.7
153.76602	0.5
159.02972	2.3
161.04555	14.8
165.09195	16.8
179.10847	0.8
181.08734	3.7
201.36636	0.5
217.07187	8.2
234.48898	0.5
235.08257	12.7
237.98711	0.5
274.25864	0.5
277.09296	28.2
283.28403	0.5
313.18530	0.5
443.19296	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	443.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88638	1.0
55.01892	1.9
57.03451	17.5
59.01392	2.9
63.61109	1.1
67.01880	1.3
68.91560	0.9
71.01370	7.3
72.87357	1.2
73.02979	1.4
75.00882	1.2
83.01391	9.2
85.02944	100.0
101.02435	5.6
111.00855	28.0
113.67273	1.2
125.09672	2.0
129.01929	37.9
161.04567	5.1
162.05293	1.4
186.11356	7.1
205.03540	37.3
214.14503	6.1
223.04529	2.0
247.44147	1.4
293.08453	1.7
443.19058	19.0
443.27768	2.5
447.80469	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	443.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34264	0.6
53.91425	0.6
54.23620	0.6
56.79131	0.6
70.63314	0.6
74.28846	0.6
97.20022	0.7
117.79247	0.7
125.85021	0.8
159.08488	5.0
175.55171	0.8
196.95164	0.8
216.08064	0.9
359.15396	100.0
374.41846	0.8
427.21609	55.1
443.24841	24.7
443.34711	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	443.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
59.01686	3.2
61.98834	11.6
64.97533	1.4
70.45727	1.5
70.53676	1.3
71.01382	2.2
79.62130	1.7
98.59442	1.6
100.93374	2.3
101.02431	1.6
115.92058	3.3
116.92807	3.8
309.20880	2.9
333.40063	1.8
362.54086	1.5
383.24243	4.0
443.15546	3.9
443.26550	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	443.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22763	4.2
59.01389	100.0
66.15488	4.9
78.99490	5.2
89.09875	6.6
91.51978	4.9
95.07847	4.9
95.40423	6.1
180.74124	5.5
355.22949	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	443.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77504	0.6
59.01382	100.0
75.70040	0.7
80.33924	0.9
92.24437	0.9
93.17942	0.8
105.21044	0.8
113.75260	0.7
126.92715	0.8
164.40988	0.9
246.98682	0.9
291.19595	4.0
309.20676	6.5
317.84509	0.8
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
52.43486	0.8
59.01384	100.0
67.55544	0.9
183.90945	1.1
187.79642	1.0
285.92020	1.0
291.19653	4.5
309.20795	7.1
333.63467	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01017	1.1
59.01385	2.8
69.03453	100.0
80.29930	1.3
81.57520	1.1
87.04514	2.5
106.79885	1.1
113.02448	81.9
131.03505	5.6
187.06204	2.3
255.23325	21.0
279.23325	5.6
297.68207	1.4
346.74643	1.4
361.23407	4.9
362.11047	1.4
370.82269	1.2
393.73016	1.4
407.63843	1.4
443.30066	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	443.305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
59.62571	1.9
60.13652	2.0
60.16667	1.9
75.00874	2.3
92.22541	5.5
93.29292	2.6
105.29749	2.5
120.89779	2.5
149.91966	2.5
153.54932	2.4
181.13373	2.3
237.83092	3.1
249.01352	3.2
249.43047	3.1
325.18781	2.7
414.12344	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	444.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	6.7
61.98826	1.0
71.01372	8.4
72.99313	1.7
75.00855	7.5
85.02943	6.7
87.00887	1.8
89.02426	1.8
95.01389	4.0
95.95576	1.0
99.00873	4.8
103.00377	0.9
106.06618	63.7
110.35482	0.9
113.02440	12.3
133.89044	0.9
150.05597	95.4
157.01393	1.3
182.87843	1.1
194.04599	17.3
211.59650	1.0
249.06082	11.5
267.07214	4.7
400.12488	13.9
444.11536	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	444.173
Annotation	glipizide
Peak:m/z	Relative Intensity
55.40721	0.5
58.83895	0.6
59.01389	1.6
61.98832	100.0
64.05905	0.7
86.35358	0.6
86.90491	0.6
110.03575	0.7
124.78465	0.7
137.02473	5.5
138.02762	1.2
161.13791	0.8
211.43111	0.6
239.79524	0.7
384.18530	0.9
444.12463	1.1
444.18896	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
61.92262	1.8
72.00937	1.8
74.02478	20.9
77.24514	1.9
97.34582	1.9
100.00363	4.5
100.43964	1.9
104.03558	9.4
109.06573	2.3
116.05052	10.2
118.05061	2.5
120.56205	1.8
122.09743	3.3
125.09698	13.5
130.08730	3.4
142.06638	2.0
166.08749	17.5
166.53766	1.8
186.05554	2.4
188.33632	2.0
203.08270	40.6
210.07791	3.5
216.07503	2.0
339.13519	3.6
339.22864	13.1
341.19769	3.1
360.44214	2.2
412.17047	3.9
444.17804	100.0
444.23160	8.2
444.30890	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	445.12
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14639	0.7
56.09517	0.7
59.01384	42.5
89.02441	1.5
101.02435	0.9
103.00375	100.0
109.26705	0.7
135.57172	0.8
175.12840	0.8
265.09332	0.8
271.79138	0.8
320.23337	0.8
341.11203	0.9
401.10110	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56146	1.2
50.60551	1.0
51.01068	1.1
51.65609	1.2
56.70286	1.2
57.03447	1.9
58.69420	1.2
59.01382	54.2
59.46233	1.1
60.30819	1.1
71.01375	10.1
75.00876	1.9
85.02953	2.6
89.02436	2.1
94.39113	1.6
99.00906	1.4
101.02422	10.3
102.37421	1.6
111.25294	1.4
113.02457	2.3
130.30508	1.6
135.92754	1.5
161.04543	2.6
268.03955	1.7
277.46881	1.9
385.22516	9.3
409.20834	28.6
445.18542	100.0
445.24301	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	445.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35001	0.7
59.01381	100.0
61.36508	0.6
92.22506	0.9
118.64489	0.8
142.77249	0.8
193.16794	0.8
221.80629	0.7
293.05069	0.8
382.60245	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1872
Annotation	Estrone glucuronide
Peak:m/z	Relative Intensity
58.40449	0.4
59.01385	100.0
61.75572	0.4
74.90109	0.4
92.22440	1.0
123.74024	0.4
149.06139	0.6
149.37984	0.4
164.11261	0.4
311.22400	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	445.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72068	1.4
53.64574	1.3
59.01383	100.0
62.49950	1.4
63.61940	1.4
71.01381	25.8
73.02934	16.7
73.64641	1.3
74.02453	1.6
78.32944	1.3
85.02944	8.0
87.00867	2.2
88.04007	1.6
89.02448	26.2
95.01417	1.5
96.96002	6.7
101.02436	26.3
102.05602	9.1
108.88436	1.5
113.02428	22.1
116.07185	5.6
119.03498	9.9
128.03548	32.1
129.10332	9.4
139.07614	1.7
145.39958	1.5
146.04578	10.7
161.04546	6.5
163.04062	2.1
169.60680	1.7
179.05566	1.9
201.12404	6.6
224.17625	3.1
233.56993	1.7
241.14377	2.3
267.18436	2.2
286.17789	7.9
299.51508	1.8
323.91199	1.8
371.23096	1.9
385.18774	15.4
403.19785	26.2
409.17285	2.0
445.13373	4.1
445.22192	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	445.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.6
59.01382	100.0
71.01374	23.7
73.02941	3.1
82.36083	0.5
83.01382	0.9
84.63962	0.6
85.02960	2.7
85.35349	0.6
87.00864	1.5
89.02438	36.3
95.01395	2.5
96.96032	0.7
99.00861	0.6
101.02440	15.1
101.27166	0.7
113.02454	10.9
119.03490	16.2
129.10321	1.2
131.03479	1.2
139.08762	0.9
143.03467	2.8
149.04605	0.9
153.09189	0.9
154.09515	0.7
155.09671	0.7
161.04572	6.2
167.03453	1.1
179.05615	33.8
195.06317	0.6
198.55212	0.7
205.12320	5.4
221.11734	0.9
223.13416	6.9
241.14626	4.4
279.77942	0.6
291.39633	0.6
385.18756	0.8
386.25351	0.6
427.22037	2.5
445.14468	4.3
445.21338	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	445.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.5
59.01380	100.0
66.87443	0.5
71.01376	23.6
73.02940	1.4
85.02939	5.6
89.02437	31.5
94.04845	0.6
95.01365	1.1
97.02938	0.6
101.01846	1.0
101.02442	13.3
113.02419	10.2
113.06104	0.7
119.03484	12.5
125.06059	0.7
131.03511	0.7
138.06895	1.0
143.03482	2.1
151.07657	5.1
152.08415	8.0
153.09196	24.7
159.02931	0.6
161.04523	8.4
179.04021	0.7
179.05608	18.3
205.12355	6.2
223.13419	6.8
385.18704	38.4
445.12143	0.9
445.20905	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	445.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72889	0.3
57.03453	3.9
59.01382	8.5
62.16362	0.4
71.01378	14.2
73.02940	7.3
73.58219	0.4
83.01376	2.6
83.04988	0.5
83.42455	0.4
85.02942	8.6
85.03426	0.6
86.05984	0.4
87.00867	3.4
89.02427	0.9
99.00865	2.4
99.04514	3.1
101.01782	0.6
101.02436	14.2
111.08123	1.9
113.02432	9.5
125.02432	1.1
129.01935	0.6
143.03468	0.9
145.05040	1.8
159.02971	1.8
161.04561	6.7
165.12837	19.9
181.12347	0.6
183.13907	87.2
191.10776	1.0
208.70833	0.5
209.11864	3.4
210.13188	0.5
227.12914	2.6
235.08197	1.0
445.20816	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.3
55.59893	1.1
57.03450	22.7
59.01385	3.1
61.47559	1.2
62.53721	1.0
63.17313	1.2
66.38599	1.1
70.61018	1.4
71.01387	6.2
71.87939	1.2
73.02956	1.8
80.36384	1.5
81.27287	1.1
83.01395	11.2
85.02943	100.0
101.02450	5.3
111.00862	27.8
118.63613	1.2
127.87846	1.5
129.01942	43.7
161.04559	2.4
187.02534	2.6
205.03539	51.7
239.16470	7.3
257.78641	1.4
275.18948	1.8
445.20691	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	445.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69499	0.7
55.01861	0.9
59.01381	100.0
65.03959	3.8
71.01376	27.1
73.02942	21.9
82.44725	0.7
83.01389	4.2
83.05021	1.1
85.02960	10.1
85.77070	0.8
87.00875	1.8
89.02430	4.7
95.01384	0.9
99.00879	4.4
99.04489	0.9
101.02441	29.7
113.02430	17.2
125.02454	1.4
135.08124	1.0
143.03523	2.9
145.05026	1.5
149.09703	8.3
151.11276	1.8
153.09189	1.3
159.03000	3.8
161.04549	18.7
161.09709	17.3
165.10672	0.9
167.10786	1.8
178.09125	0.8
179.10774	14.2
197.11752	1.0
200.11456	0.7
203.05655	7.6
205.12289	3.0
217.07155	3.5
235.08212	10.7
241.14468	3.3
277.09290	11.9
323.14944	4.6
367.17563	1.4
383.17236	1.8
385.18765	9.2
403.19742	28.9
403.24918	1.3
445.20911	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	445.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	0.6
57.52773	0.6
58.88949	0.5
59.01381	81.6
71.01376	23.2
73.02928	5.3
83.01398	1.0
85.02949	8.6
87.00851	0.8
89.00857	0.7
89.01942	0.7
89.02435	18.1
92.22987	0.8
95.01340	2.1
96.18131	0.7
96.95312	0.6
97.02944	0.8
99.00867	0.9
101.02433	14.5
108.05785	1.2
113.02445	13.6
113.10992	0.6
116.90236	0.7
119.03484	4.7
123.08153	1.3
123.72478	0.6
125.06060	3.5
138.06877	3.6
139.07657	3.9
147.97028	0.6
149.92857	0.6
151.07655	9.1
152.08415	18.3
153.09201	58.1
154.44470	0.6
159.02986	1.3
161.04561	13.3
179.05571	1.5
205.12320	19.9
223.13382	16.1
225.78081	0.6
256.56552	0.8
289.12723	0.7
366.17227	0.8
371.93042	0.7
385.18710	100.0
445.20834	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	445.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68482	0.6
59.01370	0.9
62.98449	0.6
73.94541	0.6
75.99302	0.6
76.15229	0.6
78.32508	0.6
78.95897	9.3
110.98515	13.9
125.54826	0.7
125.55895	0.7
167.01176	14.5
185.02182	5.6
277.21741	100.0
302.48740	0.7
445.23663	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	445.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74780	0.5
59.01358	2.0
63.01689	0.5
64.39093	0.5
67.47589	0.5
71.92265	0.5
78.95911	2.6
79.96250	0.5
83.05045	0.5
87.87286	0.8
107.19565	0.6
110.98519	3.2
137.18053	0.7
148.30092	0.6
155.74356	0.6
159.54880	0.7
167.01140	2.2
175.78586	0.5
181.92345	0.6
185.02151	4.5
277.21735	100.0
445.23627	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	445.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
57.03451	1.0
59.01382	10.8
61.45215	0.5
68.54366	0.4
71.01009	0.7
71.01381	11.1
73.02946	7.4
75.00837	0.6
76.05006	0.4
83.01379	3.3
85.02953	8.3
87.00863	0.8
89.02422	1.0
92.22444	1.0
94.78596	0.5
95.01405	1.5
99.00873	2.7
101.01434	0.6
101.02439	22.3
111.08170	1.7
112.35285	0.5
113.02448	8.6
125.09710	2.2
129.01860	0.6
139.11273	1.9
140.47853	0.5
146.26108	0.5
153.12791	0.6
159.02974	1.1
161.04529	3.9
165.12845	11.7
173.08141	1.0
183.13907	91.4
187.09746	2.7
201.11304	2.0
209.11780	2.1
215.12923	0.9
227.12975	0.7
235.11919	6.8
445.24481	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	445.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
57.03452	0.8
59.01382	15.2
65.02051	0.6
71.01379	12.8
73.02936	6.9
83.01391	2.8
84.82900	0.6
85.02943	8.1
89.02451	0.9
92.23065	0.8
99.00875	3.5
100.70431	0.6
101.02440	20.0
111.08154	3.3
113.02443	7.5
161.04549	4.1
162.48489	0.6
165.12852	24.6
183.13907	73.0
209.11795	5.7
213.70300	0.6
227.12956	1.4
235.11880	5.4
273.73514	0.6
357.50763	0.6
445.24481	100.0
459.23572	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40129	0.6
56.88227	0.8
57.03445	0.9
59.01381	100.0
60.13355	0.6
62.71386	0.7
68.65376	0.6
75.00854	2.9
85.84232	0.6
91.03994	1.4
109.06593	0.8
110.98516	3.2
111.08148	4.4
113.09702	11.0
134.00615	0.8
167.01118	1.0
167.10741	1.3
173.08134	1.3
179.10818	1.0
188.74245	0.8
195.13899	1.6
276.14511	0.8
277.21741	14.0
293.21234	72.4
311.22192	1.0
424.67667	0.7
445.23663	7.1
445.28915	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97461	0.7
59.01384	100.0
76.40817	0.8
87.19468	0.9
91.03991	4.0
136.69377	0.7
192.09521	0.8
211.13370	3.9
232.14952	0.9
243.08841	0.8
293.21289	3.5
311.22302	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	445.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44673	0.9
57.54452	1.0
58.74661	0.9
59.01384	100.0
61.98816	1.5
62.45380	1.0
65.63376	1.2
82.48045	1.1
85.02958	1.4
86.09190	1.2
91.04035	1.3
113.02456	1.4
171.10283	1.2
264.52457	1.2
311.22171	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	445.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03521	1.1
59.01382	100.0
59.62127	0.9
91.37083	1.1
92.23161	2.3
98.75433	0.9
109.54053	1.0
113.09682	2.4
130.22960	0.9
185.11975	1.5
215.46400	1.1
216.58682	1.1
217.70616	1.2
277.21820	7.9
286.84619	1.1
293.21259	52.5
445.23642	1.8
463.92194	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00924	0.9
58.90536	0.9
59.01383	100.0
71.01357	1.1
72.69813	1.0
80.28545	1.3
83.14381	1.2
89.10072	1.0
93.45361	1.3
103.26696	1.1
125.09688	1.4
149.09647	1.2
151.95056	1.2
185.11832	5.8
185.39578	1.2
293.21246	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	446.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62141	0.6
58.04104	1.4
59.01389	1.2
66.69492	0.6
81.04554	0.8
83.02515	3.5
92.05039	2.7
102.05591	1.5
105.21973	0.7
108.05573	0.7
109.04060	4.2
124.05193	1.0
126.06728	29.4
128.03535	19.6
135.05644	1.7
136.04050	1.4
138.06731	1.2
146.04587	4.7
147.05659	7.8
148.04059	13.1
163.06329	2.5
173.07220	0.7
177.10272	5.4
189.10381	8.8
194.73247	0.8
215.08328	2.7
221.09314	4.2
231.12534	1.4
233.09354	13.3
275.11533	35.3
300.10999	2.9
317.13629	3.2
360.16809	19.1
386.14951	3.2
404.15820	31.8
429.15445	4.3
446.18011	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59462	1.1
58.05018	1.0
58.36749	1.0
59.01382	1.2
65.92139	1.2
74.02470	48.8
100.00381	1.9
104.03531	1.7
111.08143	14.8
116.05050	9.6
125.00206	1.3
140.76041	1.2
150.09261	2.2
152.84732	1.2
154.08757	1.9
159.09297	1.5
167.11949	2.0
167.22250	1.3
168.10281	13.5
172.09781	6.2
203.08286	34.3
203.10185	1.3
211.14578	2.4
212.09302	15.9
225.12486	2.1
230.10295	1.6
255.13318	5.5
258.07581	1.4
269.11377	1.7
287.12415	2.4
367.50711	1.2
384.19156	4.5
395.97815	1.1
414.24365	1.8
416.18283	9.8
446.19330	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	446.3771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06758	0.4
70.53859	0.4
73.04467	0.4
87.24057	0.4
162.06905	1.5
163.07640	28.2
177.09204	0.7
219.49677	0.4
263.32578	0.4
392.70602	0.5
428.36728	0.9
446.37686	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33847	0.9
63.73007	0.9
64.07201	1.2
65.57491	1.0
74.36246	1.3
105.19633	1.1
126.29203	1.3
194.54001	1.2
205.86189	1.4
208.97662	17.8
215.50211	1.6
225.00768	100.0
243.01880	10.7
279.23212	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	447.0938
Annotation	Kaempferol-3-O-glucoside
Peak:m/z	Relative Intensity
54.04888	0.5
62.57544	0.6
146.15573	0.7
151.00325	0.9
204.28197	0.7
227.03500	30.3
241.05182	0.7
255.02988	56.8
256.03760	8.6
256.23135	0.6
257.04559	1.1
260.73868	0.6
284.03275	88.1
285.04077	18.4
416.89429	0.7
447.09357	100.0
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	Unknow
Peak:m/z	Relative Intensity
59.01375	11.0
65.97453	0.6
70.54823	0.6
75.90874	0.6
82.92458	0.7
83.77779	0.7
84.67113	0.6
119.81089	0.8
151.00369	2.8
221.13876	0.8
227.03505	26.8
244.30452	0.7
255.03018	58.8
256.03735	9.2
257.04688	1.1
284.03284	92.1
285.04086	18.4
337.87000	0.9
387.20407	1.0
447.09366	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84982	0.6
51.59660	0.7
59.01369	4.6
66.91808	0.6
71.01363	6.2
83.01374	1.5
85.02934	5.5
87.00887	0.7
88.21680	0.7
89.02422	3.8
99.00863	5.0
101.02419	4.2
108.02178	13.2
109.02947	25.1
113.02434	4.2
137.02419	2.0
151.04001	1.1
152.01151	67.6
153.01933	67.3
153.05504	1.5
163.04031	1.5
165.01788	1.1
177.69098	0.8
223.48523	0.8
285.06091	0.9
447.11398	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	447.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29892	1.0
51.34605	0.9
54.96326	1.0
55.95640	1.2
59.01376	2.5
84.83105	1.1
85.99207	1.6
87.00871	95.7
87.04420	1.1
136.05270	2.0
136.10599	1.3
145.86986	1.1
150.03220	6.1
159.04474	2.3
160.05321	13.7
161.06104	1.9
163.04047	2.5
164.04796	5.8
167.69110	1.2
175.07649	34.7
177.05533	7.5
178.06335	16.0
190.69180	1.3
192.07898	9.1
193.08701	2.7
310.12173	7.1
314.88797	1.4
329.13956	67.1
392.28491	1.4
399.14395	1.9
417.15521	11.6
439.20563	1.3
447.16644	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92965	1.2
53.34443	1.3
57.03453	93.7
58.61117	1.3
59.01382	99.0
61.56660	1.5
65.12370	1.2
69.53088	1.4
71.01363	3.8
71.43397	1.3
73.02936	3.2
81.03461	2.3
83.01400	2.1
85.02951	2.6
89.02431	2.6
99.04517	100.0
101.02441	23.9
107.27276	1.3
113.02435	3.2
120.23490	1.5
125.02441	34.8
129.01961	2.4
131.03595	1.7
136.64703	1.6
143.03493	2.9
151.96170	1.8
161.04584	2.3
161.41702	1.5
229.06142	1.6
250.21059	1.5
267.95273	1.7
303.14740	2.1
315.18271	3.4
326.98535	1.5
354.63196	1.6
361.91180	1.6
438.27805	2.0
447.17935	2.2
447.22629	2.2
455.69189	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	447.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	89.0
57.95626	1.3
59.01382	86.6
61.98837	2.1
69.03452	2.3
71.01383	4.0
73.02946	8.8
77.14675	1.5
78.36082	1.6
81.03473	2.6
83.01389	2.5
90.19604	1.5
95.73488	1.5
99.04512	100.0
101.02438	25.9
113.02473	2.6
119.03533	1.7
125.02436	45.5
143.03506	3.6
151.00345	7.1
164.25426	1.6
176.04202	1.8
202.32927	1.9
242.05803	3.1
387.10950	2.4
447.13333	2.4
447.18835	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	447.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	83.4
59.01380	58.8
60.07263	1.8
67.49426	1.9
81.03432	2.6
84.36594	2.4
89.02447	2.7
91.21542	2.3
99.03896	4.4
99.04513	100.0
101.02431	17.7
105.52155	2.1
111.52695	2.5
113.02409	2.3
113.74814	2.8
125.02414	29.3
125.87260	2.5
128.56308	2.4
136.75487	2.3
299.10486	2.6
372.10376	2.9
389.83441	2.3
402.20090	2.3
447.18594	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	447.224
Annotation	Atractyloside A
Peak:m/z	Relative Intensity
52.84162	0.4
59.01383	100.0
59.36367	0.4
70.72088	0.5
71.01370	3.9
73.02933	0.8
78.87491	0.5
85.02971	1.3
89.02448	2.2
89.86421	0.6
101.02438	3.1
108.28180	0.6
113.02432	2.2
119.03513	0.7
123.08174	2.1
161.04579	3.1
163.11292	2.0
179.05508	0.6
181.81049	0.4
189.12807	4.9
200.36465	0.6
203.47748	0.6
207.13908	4.2
225.14937	0.9
284.03253	0.9
387.20319	9.5
397.45630	0.6
447.09470	0.7
447.22668	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	447.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57130	0.9
59.01383	100.0
59.50158	0.8
63.09367	0.7
71.01371	5.9
84.78223	0.9
85.02937	1.2
89.02446	2.0
101.02424	3.2
113.02463	1.0
118.20700	0.9
120.94357	0.9
123.08123	1.4
125.02435	0.8
161.04582	5.9
181.09256	1.0
181.42833	0.9
189.12897	2.1
207.13928	4.4
268.51108	0.9
387.20404	10.7
447.22452	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	447.2239
Annotation	Atractyloside A
Peak:m/z	Relative Intensity
53.45660	0.8
54.29261	0.7
55.01871	1.6
57.03439	1.9
59.01381	57.3
69.03404	0.8
69.59408	0.9
71.01375	45.5
72.99281	1.1
73.02943	15.2
75.00876	1.1
77.92297	0.9
83.01375	5.5
85.02942	16.3
87.00861	2.2
89.02437	34.2
95.01373	2.0
97.02920	1.3
99.00866	5.2
99.04503	1.2
101.02436	36.3
111.00855	3.6
111.41327	0.9
113.02443	19.0
119.03485	1.9
125.02411	5.9
128.60825	0.9
131.03502	16.7
141.09225	1.8
149.04549	8.1
149.05479	0.9
153.60228	0.9
159.03017	1.7
161.04543	11.2
191.05551	1.7
231.94933	0.9
293.08737	3.5
315.18185	19.0
447.22324	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	447.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42834	0.5
55.01885	1.2
57.03444	0.7
59.01381	14.9
69.76424	0.6
71.01381	27.7
73.02943	14.1
83.01382	3.8
85.02942	10.7
87.00869	0.9
89.02441	11.4
95.01396	1.0
99.00880	7.9
101.02441	25.2
113.02441	16.0
119.03477	2.6
142.38202	0.8
152.95883	0.9
159.02992	3.1
161.04570	10.0
213.54660	0.7
262.37033	0.7
263.26660	0.7
273.12082	0.7
274.14697	0.7
277.99579	0.7
315.17880	5.4
316.42157	0.7
424.00641	0.7
447.22415	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.224
Annotation	Atractyloside A
Peak:m/z	Relative Intensity
57.97231	0.4
59.01383	100.0
71.01381	10.4
74.55698	0.4
83.38632	0.5
85.02967	1.0
89.02436	20.0
92.29438	0.5
92.32397	0.4
101.02410	5.2
111.03873	0.4
111.18386	0.4
113.02432	6.1
119.03503	7.1
132.16013	0.5
143.03517	1.8
161.04559	4.0
179.05614	24.2
190.36102	0.5
363.64328	0.5
387.20520	1.6
401.14331	0.7
415.98471	0.5
447.22473	16.6
460.52176	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54873	0.4
51.99834	0.4
54.43895	0.4
59.01386	0.7
61.12370	0.4
63.40051	0.4
78.95911	4.3
80.25479	0.4
83.88403	0.4
110.98528	5.3
119.63072	0.5
167.01166	4.7
185.02200	2.3
261.22113	0.6
279.23312	100.0
314.00543	0.5
344.22400	0.5
399.23492	0.5
447.25220	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	447.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17194	0.5
55.01885	0.6
56.80145	0.4
57.03449	2.4
59.01104	0.7
59.01384	16.8
61.64545	0.4
70.74523	0.5
71.01382	10.9
73.02940	5.0
74.12066	0.6
76.28153	0.5
82.94274	0.5
83.01374	2.8
85.02956	8.0
87.00866	2.1
89.02451	3.3
95.01370	0.7
98.59344	0.5
99.00864	1.3
99.04507	1.0
101.02435	12.2
111.00877	1.0
113.02404	4.8
125.02413	1.0
125.09738	0.9
129.01933	0.7
131.27115	0.6
139.29654	0.5
161.04546	1.4
165.12840	6.6
183.13905	21.6
267.19958	0.8
285.20743	44.9
299.50647	0.6
327.21991	0.8
364.67688	0.6
429.25174	4.8
447.26535	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	447.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07901	1.1
52.42697	1.1
59.01382	100.0
61.98831	84.9
82.03966	1.2
92.23103	1.7
152.99702	1.2
187.92084	1.2
357.01523	1.3
411.56906	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	449.109
Annotation	2',3,4,4',6'-Peptahydroxychalcone 4'-O-glucoside
Peak:m/z	Relative Intensity
51.62115	0.8
53.33349	0.9
57.03447	1.4
59.01378	32.9
61.98817	1.4
71.01375	2.2
85.02950	2.1
87.00938	1.1
88.04041	1.9
93.03419	4.5
98.02476	2.1
101.02457	1.7
107.05004	1.1
110.80586	0.9
121.02921	1.0
125.02434	64.2
134.03719	2.1
149.02420	5.3
151.00343	9.4
153.01868	4.9
173.04550	21.3
173.05927	2.1
175.03966	1.2
178.02780	0.9
178.99843	14.1
179.03545	1.3
191.05603	6.6
193.05069	8.3
201.05600	1.8
203.15157	1.1
215.07237	4.1
225.05577	1.8
243.06654	6.6
259.06104	66.3
269.04572	61.5
287.05637	27.4
316.99301	1.1
320.39703	1.0
367.10416	11.8
370.41174	1.0
389.08569	9.6
389.21915	1.4
449.10941	100.0
449.20071	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	449.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81443	1.0
56.14056	1.0
59.01378	7.4
67.13532	1.2
71.01376	2.8
72.39612	1.2
89.02447	4.7
96.95988	6.2
99.00922	1.3
101.26726	1.2
111.00924	1.9
113.02440	1.6
114.80764	1.2
124.96770	1.4
128.03564	1.3
138.99341	1.3
139.00391	32.3
140.01149	30.8
141.91119	1.4
153.01912	10.2
154.02721	31.4
155.03502	100.0
167.02159	1.3
197.04501	1.4
243.09076	1.3
245.52515	1.2
255.23239	7.1
299.07492	1.3
317.08655	11.1
390.15094	5.8
419.20224	1.4
449.13004	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	449.167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03611	0.5
53.03917	0.6
57.03451	7.8
59.01111	0.6
59.01382	17.6
67.58587	0.6
68.99809	0.7
71.01385	7.0
72.99290	2.4
73.02924	1.2
75.00866	7.9
75.44745	0.6
85.02949	9.0
87.00851	3.5
89.02421	3.6
95.01395	1.3
99.00871	6.5
99.04518	8.5
101.02439	3.0
103.00350	0.7
106.49728	0.6
113.02446	11.3
115.00329	1.3
117.01939	1.4
125.02396	4.3
129.01888	0.7
137.09735	4.9
145.35815	0.6
155.10777	89.9
175.02498	0.8
181.08643	0.9
199.09740	4.1
245.46150	0.8
249.06189	6.1
267.07141	1.3
347.16946	1.3
387.16394	1.5
449.16592	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.3
59.01102	0.7
59.01379	10.6
68.99800	0.6
69.03431	0.6
71.01378	9.4
72.99284	1.1
75.00864	9.3
83.05013	0.9
85.02950	12.0
87.00878	4.8
89.02447	4.0
95.01370	3.0
99.00864	7.9
101.02419	0.6
103.00387	1.4
107.78789	0.6
113.02438	19.7
115.00366	2.7
116.89895	0.7
116.90803	0.6
117.01913	2.5
122.56918	0.6
129.01884	0.7
137.09724	31.1
155.10780	44.5
164.07115	0.6
175.02490	1.1
176.61716	0.5
181.08720	2.9
186.48405	0.7
199.09778	7.1
231.05042	1.1
249.06206	10.9
267.07236	12.4
273.13419	0.9
372.06607	0.6
430.75165	0.6
449.16653	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58147	5.5
55.57768	5.6
61.98827	11.8
63.55061	5.8
67.31005	5.9
78.17175	7.5
78.95895	31.6
96.96022	16.5
107.44199	8.0
113.18507	7.3
114.01040	6.9
152.99561	100.0
164.79468	6.8
184.23988	6.9
255.23386	8.0
298.10336	7.3
337.19781	7.4
348.25616	14.5
449.17514	9.2
449.22528	10.5
449.27548	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	449.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98349	0.7
55.82515	0.6
57.03450	92.6
59.01381	93.0
63.07380	0.6
71.01381	4.0
81.03453	3.6
83.01421	0.8
85.02956	0.8
89.02466	1.2
99.04509	100.0
101.02435	21.7
113.02442	3.0
125.02429	33.4
135.28818	0.7
143.03499	4.5
161.04541	1.8
208.90608	0.8
227.07117	1.7
263.14923	4.4
305.16092	3.2
347.16998	1.1
387.20288	1.4
405.21344	1.4
449.20361	7.4
449.27457	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	449.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	97.5
59.01382	87.4
62.56572	0.7
71.01379	2.2
81.03466	4.3
89.48602	0.9
90.65275	0.9
99.04514	100.0
101.02442	20.4
117.91691	1.1
125.02442	32.3
143.03491	5.3
161.04562	1.7
221.19167	4.7
239.20230	1.2
263.14963	5.9
265.18073	5.4
283.19180	6.0
287.22217	1.3
301.20264	11.9
305.16183	1.6
347.17154	1.4
362.31906	1.0
449.23892	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	449.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	83.7
59.01383	100.0
68.79314	0.7
71.01377	5.6
73.02940	1.8
73.63673	0.6
73.80682	0.7
80.48100	0.6
81.03461	1.8
85.02962	3.0
89.02456	1.1
99.00900	5.7
99.04511	87.0
101.02441	20.8
104.86932	0.7
111.36089	0.7
113.02440	3.4
125.02431	34.7
129.35297	0.8
140.09503	0.7
143.03506	2.9
161.04565	1.8
183.13841	3.1
198.91945	0.7
227.12978	1.2
263.14993	4.9
274.68137	0.8
316.70255	0.7
327.33221	0.7
329.16241	0.9
341.07361	0.9
347.17059	3.5
349.18796	3.2
387.20352	2.8
389.21829	3.3
395.66061	0.9
405.21390	1.1
449.14157	1.5
449.20340	11.8
449.27567	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	449.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44368	0.8
52.84710	0.6
56.40767	0.6
57.03458	1.1
57.80053	0.6
59.01381	47.6
61.56227	0.8
62.38774	0.7
71.01374	7.9
85.02924	1.2
89.02443	12.7
95.01350	0.8
99.04494	5.7
101.02472	6.7
113.02425	4.6
119.03495	3.5
165.12871	5.0
167.03484	1.4
171.98560	1.0
173.76334	0.8
192.53813	0.7
207.13914	11.1
209.11852	33.5
225.15019	7.1
226.10027	0.8
251.12900	4.7
252.47018	0.8
269.13956	37.7
367.92230	0.9
449.20349	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23433	0.4
54.08793	0.3
55.70829	0.4
57.03450	33.5
59.01379	8.4
71.01368	3.9
73.02940	2.2
83.01381	0.6
85.02948	2.4
99.04508	29.8
101.02423	7.6
113.02433	3.8
123.04556	0.5
125.02432	25.1
131.20988	0.5
132.58331	0.4
141.70117	0.4
143.03488	5.6
143.10770	100.0
157.12337	3.1
185.11842	1.0
301.31100	0.5
305.16068	2.0
311.30499	0.5
347.17126	1.8
405.21249	0.9
449.19308	4.2
449.28226	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	33.5
58.67496	1.2
59.01102	2.2
59.01382	50.3
62.19844	1.4
70.25361	1.3
71.01380	11.3
73.02932	5.7
79.95740	2.5
85.02940	12.9
89.02451	2.3
93.02667	1.5
99.04514	35.3
101.02446	16.2
113.02438	9.6
125.02442	27.4
143.03487	7.0
143.10771	100.0
152.50928	1.6
157.12358	2.6
161.04517	2.7
175.35577	1.4
270.46082	1.4
287.22266	5.7
305.16089	1.6
307.03345	1.4
319.94901	1.7
358.35641	1.5
380.80435	1.5
389.25583	6.3
449.20648	7.7
449.28241	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	449.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10827	0.7
57.03452	1.1
59.01379	3.5
61.98828	4.3
71.01382	16.0
71.02500	1.4
73.04063	9.9
73.47074	0.7
88.04035	15.1
88.43895	0.9
89.02460	0.9
89.54235	0.7
96.00909	1.0
98.02472	1.0
99.04534	0.9
107.47686	0.8
114.57067	0.8
115.00364	27.3
116.05043	3.5
129.10310	7.1
130.08745	2.8
132.03009	12.2
141.10338	2.9
146.06133	7.2
147.04485	0.7
156.08176	1.0
163.08696	1.1
164.07144	6.5
167.05740	1.6
168.11375	2.9
168.96236	0.8
169.09822	4.8
186.12485	41.7
198.12906	1.0
200.07205	0.9
224.12814	5.3
225.35307	0.8
241.13403	3.6
242.11777	5.6
258.16119	5.3
315.18326	21.1
333.19339	13.7
334.17755	19.2
388.73468	0.8
401.86340	0.8
405.21609	1.7
414.16922	1.0
431.19293	1.2
449.20465	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2397
Annotation	Atractyloside B
Peak:m/z	Relative Intensity
57.03452	100.0
59.01382	89.4
64.45132	2.2
71.01064	1.7
71.01378	17.0
73.02931	2.7
85.02936	8.3
92.22520	2.9
92.57573	1.9
99.04513	80.7
101.02443	27.9
113.02439	11.4
116.23952	1.8
125.02441	33.8
143.03545	2.3
155.71849	2.2
161.04549	8.5
218.06003	2.0
228.23199	2.0
305.19781	8.5
347.20776	9.5
387.23953	2.8
389.25208	2.8
449.23782	30.5
466.30634	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	449.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	100.0
58.93028	1.9
59.01386	69.2
60.57502	1.6
64.99763	1.8
71.01391	4.9
75.45785	2.1
85.02952	3.8
92.22449	2.6
99.04514	84.0
101.02433	28.6
113.02473	3.8
125.02425	32.6
143.03511	4.7
170.47171	2.1
305.19614	9.7
347.20831	10.9
411.07224	2.4
449.24030	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	449.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49864	2.4
57.03197	4.4
57.03453	96.4
58.65618	2.5
59.01379	80.6
71.01385	2.8
73.02921	3.1
99.03896	4.9
99.04519	100.0
101.02433	34.4
113.02464	5.0
120.55338	2.6
125.02418	41.4
130.03096	3.4
143.03474	5.9
193.85226	3.0
203.87442	3.0
269.01117	3.0
305.19733	13.3
347.20837	13.0
449.23895	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	449.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11188	0.4
59.01383	100.0
60.60590	0.4
61.98833	8.6
65.59910	0.4
71.01377	3.5
71.56814	0.5
73.02935	0.8
76.29311	0.5
85.01276	0.5
85.02953	2.1
89.02448	5.4
99.00893	0.5
101.02437	6.5
113.02431	3.0
119.03490	0.9
123.16954	0.5
161.04573	1.1
178.01929	0.6
389.21826	21.3
400.57550	0.5
449.24130	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	449.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	100.0
59.01382	93.1
60.79807	1.5
71.01373	6.1
73.02946	2.8
75.52644	1.2
83.01384	1.8
85.02956	5.9
92.22517	2.0
99.04512	94.8
101.02441	33.6
104.41078	1.3
113.68096	1.4
125.02438	40.6
143.03510	5.8
161.04549	2.9
206.28783	1.5
232.30753	1.6
305.19760	11.9
325.19293	1.9
347.20770	8.8
358.84439	1.4
372.44897	1.6
387.23996	1.8
449.23944	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	449.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	100.0
59.01381	72.4
59.01688	2.5
60.38498	1.1
66.97723	1.2
70.27139	1.1
71.01361	7.7
73.02938	3.0
75.49320	1.3
85.02962	5.9
90.69775	1.2
92.98006	1.2
94.66582	1.3
99.00865	1.8
99.04512	85.4
101.02436	31.5
102.17626	1.3
108.31278	1.2
113.02430	5.8
125.02416	44.4
126.41417	1.5
143.03476	3.2
161.04536	1.6
185.13104	1.3
190.39973	1.4
305.19662	13.6
347.20810	10.8
449.24048	23.9
449.30289	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	449.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89197	0.4
59.01381	100.0
60.26164	0.4
61.98814	0.7
63.78276	0.5
70.37470	0.5
71.01380	4.1
73.02938	1.0
77.67558	0.4
83.01409	0.9
85.02926	2.8
89.02438	0.6
89.32761	0.4
99.05196	0.5
101.02432	3.5
107.11810	0.5
108.49448	0.6
113.02440	1.3
116.73313	0.5
123.50312	0.5
125.02428	3.8
151.00467	0.5
161.04536	3.1
173.04561	2.9
189.65524	0.5
191.05617	1.2
193.05139	0.8
227.16579	0.8
232.63309	0.7
259.06085	4.9
269.04654	3.3
287.05496	1.2
346.45294	0.6
389.08569	0.9
389.21872	12.1
449.11002	6.4
449.24240	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	449.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71795	1.3
53.00229	1.3
54.86715	1.4
55.01884	4.0
57.03447	8.4
57.52100	1.5
58.39941	1.4
59.01385	100.0
61.91324	1.6
70.70036	1.7
71.01378	19.7
73.02953	1.6
83.01381	1.8
85.02942	3.7
89.02451	19.7
99.00866	8.1
99.04505	7.8
101.02431	14.8
112.89553	1.6
113.02445	7.2
113.06094	1.8
119.03509	9.3
119.04916	2.3
125.02473	2.6
143.03532	1.7
151.38969	1.5
161.04506	2.9
163.03996	1.6
171.10271	3.0
179.05554	2.7
214.67830	2.1
255.19685	2.1
299.18588	4.1
301.20218	68.0
317.19742	6.5
389.21835	43.2
389.26352	1.9
449.24261	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	449.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	8.2
57.03451	42.9
59.01384	49.5
60.20415	2.1
71.01379	4.5
75.00855	2.5
85.02962	2.5
89.02432	2.7
99.00870	2.4
99.04517	42.0
101.02437	17.9
113.11658	1.9
124.07632	3.8
125.02436	10.2
128.99658	1.9
129.01871	3.7
130.81331	2.1
147.02983	3.3
153.48582	2.2
162.47336	2.3
220.03809	2.1
221.19124	42.2
239.20180	8.7
250.07195	3.1
257.21338	2.3
265.18088	43.7
283.19141	48.2
287.13925	8.0
287.22354	7.4
301.20245	100.0
449.23407	92.6
472.54776	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	449.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02964	6.0
59.01364	1.6
59.98507	1.1
62.01036	1.0
73.01701	1.0
74.02487	11.8
78.95909	1.9
82.18369	1.0
83.72456	0.9
84.04504	1.5
118.79155	1.1
139.98946	1.0
152.99585	5.5
164.14407	1.7
190.12421	1.4
225.14870	1.1
244.20724	1.2
246.22221	15.0
248.23886	2.1
272.20245	6.5
274.21768	6.9
290.21289	12.2
292.22855	4.4
312.23306	2.1
330.24371	31.5
333.25674	1.9
345.25717	2.0
346.24081	1.7
348.25491	48.5
348.29709	2.0
353.96439	1.1
363.26862	1.5
373.92639	1.3
374.23358	10.6
391.96579	1.2
392.24362	13.9
405.27576	5.2
449.26627	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	449.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97062	1.0
58.02977	2.3
59.01375	6.5
59.04585	1.1
60.91348	1.1
65.63686	0.9
74.02460	4.6
78.95882	1.7
84.57761	1.0
96.01414	1.0
141.15700	1.3
152.99562	5.8
156.40482	1.2
164.14372	5.4
174.12807	1.1
185.65712	1.2
190.12331	1.7
208.13441	1.7
246.22272	6.6
261.23428	2.7
266.17581	1.3
272.20108	1.4
283.64914	1.2
287.21277	5.2
290.21417	4.9
305.22357	7.3
330.24356	12.0
345.25543	4.2
348.25497	27.2
357.25281	1.9
363.26480	6.3
380.12003	1.2
382.92325	1.3
392.24506	2.2
405.27612	2.4
449.26624	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.268
Annotation	Wilforol B
Peak:m/z	Relative Intensity
50.58216	0.4
55.54979	0.4
63.33070	0.4
78.95893	6.7
106.55999	0.4
110.98536	8.5
167.01146	12.1
185.02217	2.3
242.46788	0.4
270.97818	0.6
281.24878	100.0
305.45337	0.5
307.25467	0.5
449.26816	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	449.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.6
57.03447	0.7
59.01104	0.5
59.01383	10.7
71.01379	7.5
72.99318	0.6
73.02951	2.3
83.01388	1.3
85.02953	4.5
87.00868	1.3
89.02428	1.9
95.01412	0.5
99.00851	0.7
99.04512	0.5
101.02447	7.4
106.94135	0.3
111.00819	0.5
112.12923	0.3
113.02448	3.2
115.04105	0.3
118.10611	0.3
119.03534	0.4
120.14240	0.3
125.02429	0.6
129.01889	0.3
144.83673	0.3
152.42563	0.3
175.22334	0.3
176.86899	0.3
218.31706	0.3
221.19142	1.7
265.18137	1.3
269.21304	0.7
283.19168	0.7
287.22324	35.1
301.20282	2.9
301.23526	0.4
304.55862	0.4
329.23322	0.6
431.26450	5.8
449.27698	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	449.276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15352	0.3
55.27092	0.3
57.03431	0.6
59.01383	12.5
63.18551	0.3
71.01379	7.3
73.02940	2.6
76.83979	0.3
82.23463	0.3
83.01370	1.7
85.02950	3.9
87.00861	0.6
89.02430	2.1
99.00848	0.6
99.04514	0.8
101.02435	6.5
102.55535	0.4
111.00890	0.6
113.02440	3.0
119.03467	0.7
125.02489	0.8
126.90917	0.4
143.10812	2.0
161.04535	0.6
176.61018	0.5
258.57813	0.5
269.21249	2.2
287.19064	1.0
287.22302	30.4
301.23923	0.4
314.19476	0.4
329.23392	0.6
399.72025	0.5
431.26575	5.1
449.27631	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79394	0.2
55.01875	0.5
56.32434	0.3
57.03452	4.1
58.00312	0.2
59.01100	0.5
59.01384	13.9
65.64024	0.3
71.01374	7.3
73.02940	3.1
75.00896	0.4
83.01373	2.1
85.02946	3.7
85.64340	0.3
86.00089	0.3
87.00881	0.5
89.02445	3.7
95.01377	0.4
99.00887	0.7
99.04515	3.8
101.02432	8.7
105.15319	0.3
111.00877	0.5
113.02445	3.4
119.03477	0.5
120.27036	0.3
125.02445	1.8
128.89517	0.3
129.01953	0.4
141.01895	0.3
147.02963	0.5
167.32297	0.3
193.45824	0.3
221.19148	2.0
241.21812	0.4
265.17984	2.5
269.21277	3.0
283.19223	3.3
287.22318	45.2
301.20276	5.6
301.23697	0.5
329.23483	0.6
367.92172	0.3
402.42902	0.3
431.26431	3.0
449.27753	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	450.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71511	0.3
55.10141	0.4
58.70902	0.4
59.01382	4.7
59.01631	0.5
61.98830	100.0
71.01376	0.8
74.02434	0.4
93.76696	0.5
96.56566	0.5
112.71801	0.4
159.68018	0.5
162.17271	0.4
164.12097	0.5
182.29971	0.4
270.04855	0.5
365.14465	0.5
390.21454	0.9
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
51.44637	0.5
55.73399	0.6
59.01381	12.5
60.01719	1.3
61.01825	0.7
61.98833	100.0
71.33105	0.5
85.37733	0.5
184.16458	0.6
390.22162	1.3
450.23248	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	450.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57488	0.4
60.27701	0.4
61.02358	0.4
64.97013	0.4
75.35066	0.4
79.95733	22.1
80.96531	3.3
96.96004	2.6
102.00869	0.4
103.36946	0.5
154.10349	0.5
157.12326	7.5
167.14345	0.5
193.09085	0.8
211.13438	2.5
221.08548	100.0
228.16016	15.5
292.12286	16.4
292.15326	0.9
308.30313	0.5
383.47113	0.5
432.94437	0.5
450.25500	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	451.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.8
71.01385	2.2
81.32364	1.3
89.02431	3.4
96.21828	1.3
101.02441	2.3
107.05682	1.8
135.69717	1.6
147.36162	1.5
415.14694	27.2
451.12274	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1227
Annotation	Leucopelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
55.00227	1.1
56.53121	1.0
57.34803	1.1
59.01379	9.2
71.01359	1.3
71.44779	1.1
71.58259	1.2
76.54869	1.2
77.01139	1.2
80.79119	1.2
89.02444	5.1
101.02422	2.2
127.78783	1.5
178.08652	1.2
232.64687	1.5
235.26039	1.2
290.75238	1.3
366.40051	1.3
415.14722	19.5
451.12332	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	451.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52129	0.8
57.11129	0.9
71.01377	12.9
79.31085	1.2
84.81007	1.0
84.93871	6.2
99.92575	31.4
100.93364	71.8
100.94034	2.5
111.25847	1.0
115.90845	1.3
115.92072	91.4
116.92849	100.0
126.10109	1.0
126.94934	2.5
137.13319	1.0
144.95961	2.5
154.94395	14.9
160.78365	1.0
172.95470	55.1
184.74225	1.0
277.21658	5.9
382.84146	1.1
393.14059	1.1
416.31509	1.2
433.16898	5.2
451.18011	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	451.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
62.72103	0.7
73.01819	0.8
81.67380	0.7
84.18777	0.6
88.82519	0.7
93.10842	0.7
99.92566	4.9
100.93356	70.1
115.92067	100.0
116.92844	8.6
172.95462	8.2
199.52132	0.8
229.06850	0.7
261.65295	0.9
283.26395	3.0
433.16803	5.3
451.17984	31.7
451.27811	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49632	0.7
57.03434	1.7
59.01379	26.6
63.06769	0.7
65.57442	0.6
71.01373	14.3
72.99287	1.6
73.02930	2.9
75.00877	8.3
83.05003	0.8
83.26506	0.7
85.02939	13.2
87.00850	4.3
87.04501	12.4
89.02433	15.2
90.53548	0.7
91.03925	0.7
92.23000	0.8
95.01360	2.9
95.28589	0.8
97.02944	0.7
99.00908	5.5
99.01429	0.8
101.02436	12.0
101.06053	1.0
103.00350	0.9
109.28947	0.8
113.02435	19.5
113.06055	5.5
115.00339	1.3
117.01891	1.1
119.03466	4.0
119.04996	0.8
121.10174	1.5
127.07652	6.3
139.07603	7.1
139.11287	5.3
149.04480	0.7
155.10753	4.1
157.08713	1.0
161.04539	0.7
183.10178	0.8
191.05569	1.3
201.11385	11.7
249.06136	8.9
267.07211	3.5
319.13983	21.0
346.91495	0.7
451.18118	100.0
472.01395	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.219
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47116	1.4
57.03452	81.2
59.01381	82.6
62.81625	1.3
69.92123	1.5
71.01369	9.0
73.02937	2.4
76.40120	1.4
81.03476	1.6
85.02949	5.9
85.79632	1.2
89.02467	1.5
92.83748	1.2
93.62095	1.2
99.04513	100.0
101.02433	32.4
106.23094	1.2
109.45883	1.3
110.75069	1.3
113.02423	5.7
118.32296	1.3
125.02431	47.7
135.10149	1.5
143.03526	7.0
152.36160	1.4
159.02980	2.0
161.04498	4.8
268.61450	1.4
299.36353	1.5
307.17676	10.1
349.18680	31.4
389.21893	2.8
451.21875	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	451.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11375	1.0
51.47958	1.0
57.03452	83.6
59.01383	98.4
61.98837	1.5
68.69998	1.2
70.18201	1.1
71.01373	15.0
73.02949	6.3
83.01413	1.5
85.02943	7.5
89.02457	2.1
93.03460	1.8
99.00868	2.5
99.04516	100.0
101.02436	36.3
113.02440	8.0
125.02441	37.7
130.47961	1.3
137.02518	1.4
143.03545	6.0
161.04561	5.2
307.17657	16.0
349.18716	23.9
386.15207	1.4
389.22101	4.6
390.96872	1.4
407.22726	1.4
451.22037	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	451.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68406	1.3
52.33315	1.5
72.99304	2.7
79.16907	1.6
98.00779	1.6
103.16482	1.5
113.99590	13.6
156.00635	3.6
174.01697	100.0
176.01947	1.4
181.68575	1.4
251.49107	1.4
277.21628	1.5
314.07413	1.6
347.70169	2.0
351.21695	13.3
391.21176	7.3
451.23260	5.7
452.64478	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	451.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.5
61.98825	8.4
67.50441	1.3
73.55791	1.2
84.96984	1.4
87.37623	1.3
89.02438	2.3
110.02456	1.5
112.07711	10.4
113.06020	1.8
129.10393	3.5
130.08690	15.6
166.79659	1.6
186.08865	3.4
207.14999	7.3
224.17580	8.0
225.16090	17.2
320.23532	5.9
334.20050	1.6
337.26117	9.9
363.75342	1.7
371.19452	5.7
378.47629	1.5
407.80283	1.3
408.05905	1.6
415.16385	1.5
415.21970	6.3
433.31726	16.2
451.21515	7.7
451.32916	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	452.279
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41013	1.8
63.70973	1.9
65.48549	2.0
78.06153	2.2
81.05570	2.2
85.37729	2.0
116.95228	2.5
152.57390	2.3
165.25552	2.7
255.20801	5.0
255.23318	100.0
255.26009	4.0
388.58203	2.5
389.90887	2.5
452.27783	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	452.2787
Annotation	LysoPE(0:0/16:0)
Peak:m/z	Relative Intensity
51.84825	0.4
56.15101	0.4
78.95908	8.0
97.51461	0.5
122.00111	0.6
138.56787	0.5
140.01189	5.8
141.98599	0.4
142.80763	0.5
152.99535	1.7
158.81592	0.5
167.84563	0.5
168.93559	0.5
196.03831	8.1
211.41125	0.5
214.04965	2.2
255.23314	100.0
258.65222	0.6
288.75089	0.4
452.27878	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	452.279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65676	0.5
52.19667	0.5
73.71609	0.6
74.65324	0.6
78.95905	91.3
96.96960	7.2
105.83242	0.6
140.01178	0.7
152.99590	30.7
163.27696	0.6
171.00653	47.2
199.62746	0.7
202.20071	0.6
206.22035	0.8
217.23967	0.7
227.20357	0.6
378.24292	4.7
452.27899	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
67.22739	0.6
76.64205	0.6
78.95901	59.8
82.94421	0.6
101.72319	0.6
104.25703	0.7
110.98521	100.0
135.78273	0.8
140.51042	0.7
152.54025	0.7
162.63179	0.7
453.10144	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	453.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74598	0.4
60.55717	0.4
78.95901	66.8
85.70234	0.4
89.02415	0.5
92.05435	0.5
110.98519	100.0
115.39810	0.5
130.14917	0.6
383.58377	0.5
418.77609	0.6
453.10214	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	453.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74474	0.7
51.09581	0.6
52.78054	0.6
60.42326	0.7
63.27800	0.7
64.23168	0.8
66.34967	0.6
70.02982	6.8
71.05018	4.0
74.00698	1.4
74.02463	1.1
85.04062	8.6
86.02472	3.3
87.05624	3.9
88.93314	0.9
92.22532	0.9
96.74911	0.7
99.04536	1.3
100.00397	16.2
102.00191	7.2
128.01727	1.4
130.03296	12.3
143.04585	1.7
146.08231	95.5
147.05940	5.4
175.01822	39.6
217.11945	25.4
275.10730	1.2
277.12277	29.9
294.93369	0.9
301.61710	0.8
309.09485	1.5
453.14893	100.0
476.12357	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1616
Annotation	I-123 BMIPP
Peak:m/z	Relative Intensity
53.96092	0.9
54.17896	1.1
59.01102	2.2
59.01381	44.1
71.01378	15.9
73.02929	16.5
75.00867	1.2
82.66233	1.2
85.02937	9.1
89.02438	7.0
92.22533	1.4
99.00864	7.4
101.02428	24.5
110.82624	1.2
113.02440	13.8
119.03444	1.5
143.03470	1.2
159.03000	4.8
161.04512	13.9
162.21159	1.2
163.98691	1.3
235.11856	44.7
301.63303	1.4
364.07065	1.3
367.16153	14.8
409.17184	100.0
453.19025	2.0
453.24213	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	453.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
60.73764	0.4
64.87902	0.4
76.76511	0.4
99.92574	5.3
100.92831	1.1
100.93356	59.5
115.92065	100.0
116.92851	9.0
132.92342	0.7
134.80655	0.5
166.30904	0.4
172.95453	7.6
184.27438	0.5
189.19411	0.5
279.23184	0.8
379.15732	0.9
405.17648	1.6
435.18454	3.4
453.13129	1.0
453.19537	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	453.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08595	1.0
52.55077	1.2
52.95706	1.2
57.14058	1.2
62.71606	1.3
71.01367	14.0
71.27467	1.2
71.90543	1.4
84.93875	1.8
99.92567	25.3
100.93355	46.5
115.92062	100.0
116.92854	96.0
126.26060	1.5
126.94912	3.1
144.95999	2.5
154.94377	12.9
172.95468	54.3
174.90280	1.4
199.95378	1.5
279.23346	7.8
409.82077	1.6
435.18320	2.2
453.19568	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	453.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16159	0.6
52.42194	0.5
57.73555	0.6
59.01381	34.0
59.78275	0.5
71.01379	27.7
73.02941	7.1
82.76299	0.7
85.02953	1.6
89.02438	66.5
95.01405	1.1
99.00883	11.7
101.02443	23.4
110.31900	0.8
113.02441	11.7
115.03983	1.4
116.30247	0.7
119.03487	8.8
125.02454	1.5
131.03479	5.8
143.03468	1.1
149.04553	14.5
161.04596	1.4
178.66016	0.7
191.05582	7.7
221.06546	1.0
251.07635	1.0
335.45477	0.8
393.17728	100.0
393.89417	0.8
402.17648	0.7
453.23801	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.7
59.01380	14.6
62.35310	0.7
63.76131	0.7
63.92588	0.7
71.01376	23.5
71.18012	0.7
73.02939	11.4
83.01372	1.9
85.02959	9.6
87.00884	0.7
89.02440	18.9
97.02972	1.0
99.00872	8.9
101.02430	27.4
113.02443	15.3
119.03493	3.7
125.02386	1.5
131.03444	1.4
143.03453	1.0
148.54388	0.7
149.04538	3.9
159.02963	2.0
161.04521	8.6
191.05650	1.6
261.13519	8.3
373.70816	1.0
393.17697	100.0
417.41962	0.9
429.28012	0.8
451.16782	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97185	5.6
61.15703	5.7
64.28263	6.2
80.32294	5.6
88.49056	5.3
212.32272	5.6
331.55103	5.7
348.21643	6.3
453.22653	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.4
57.03456	2.4
59.01378	39.2
71.01012	1.9
71.01373	30.9
73.02934	14.7
75.06480	1.1
76.51314	1.3
83.01382	7.7
85.02947	18.4
85.46643	1.2
87.00814	1.4
88.43558	1.5
89.02436	10.7
95.01385	2.5
96.96012	1.4
98.91102	1.2
99.00871	6.1
99.04527	1.6
101.02435	47.8
113.02445	18.4
113.85519	1.4
119.03543	1.9
125.02466	1.6
143.03557	1.8
161.04546	13.3
291.18182	19.3
316.64621	1.3
381.29370	1.5
453.23450	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.4
57.03443	1.4
59.01381	41.6
71.01376	43.9
73.02939	18.2
75.71095	1.2
83.01385	8.1
83.03448	1.2
85.02942	21.3
89.02441	10.6
95.01351	2.8
99.00874	4.8
99.04499	27.3
101.02431	43.1
113.02425	25.2
119.03419	1.6
125.02345	1.6
147.21912	1.3
159.02934	2.6
161.04449	13.7
171.72723	1.8
291.18066	18.9
384.48730	1.6
393.25000	1.8
453.23462	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53711	1.3
57.03446	1.7
59.01102	2.9
59.01381	50.7
59.23543	1.3
62.76824	1.5
71.01371	26.0
71.33404	1.4
72.21558	1.2
73.02927	6.4
75.66225	1.2
80.41905	1.4
80.67237	1.2
83.01371	7.4
85.02943	10.2
85.23766	1.3
87.51395	1.5
89.02437	13.7
93.03439	2.6
95.01353	2.1
97.02926	2.1
101.02439	48.6
113.02441	15.2
119.03484	2.5
125.02400	1.8
143.03513	3.6
161.04549	17.2
390.59341	1.6
393.25067	2.3
453.23468	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	453.25
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79177	0.9
56.02297	1.0
72.25900	1.2
72.99317	2.2
88.30172	1.2
89.09583	1.0
113.99586	11.1
116.92842	5.2
119.78519	1.2
156.00655	8.4
174.01697	100.0
176.09521	1.0
188.52174	1.2
291.23376	2.2
293.24915	4.4
331.22827	1.6
353.23474	9.8
393.22809	6.6
453.24557	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	453.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98844	2.1
72.99310	2.6
86.34830	1.4
93.37829	1.4
113.99567	7.7
156.00638	9.3
174.01691	100.0
188.62843	1.6
197.47771	1.5
291.23300	1.6
293.25027	2.3
353.23312	9.1
393.22830	6.9
453.24994	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	453.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15934	13.4
54.00646	12.4
61.98823	32.5
65.59912	14.4
69.57321	13.5
70.07398	14.4
71.05816	13.4
95.99448	16.4
171.10265	16.0
279.10379	16.1
365.44955	17.7
453.26248	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
61.10211	17.2
61.98827	100.0
69.09656	16.9
110.14285	21.8
112.14520	22.4
131.84415	20.8
158.48035	20.2
254.51341	22.1
438.56171	23.2
453.26059	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	453.2629
Annotation	CHEBI:67291
Peak:m/z	Relative Intensity
51.09679	5.9
51.81334	6.1
52.73879	6.5
53.16773	6.2
53.67936	6.2
54.14024	5.9
76.75554	6.7
87.21825	8.1
125.09714	46.9
137.09749	15.3
153.09319	8.5
155.10732	10.5
165.42697	6.9
171.10281	8.7
207.10222	13.3
209.11826	78.4
307.19189	100.0
325.20245	12.5
344.59915	8.3
381.22861	33.5
453.25821	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	453.2628
Annotation	CHEBI:67291
Peak:m/z	Relative Intensity
51.34227	44.3
91.40681	57.9
104.08832	68.1
105.21941	68.4
112.19273	74.2
255.26134	67.9
258.93350	75.0
280.83075	59.0
288.59766	60.7
392.85922	58.4
394.02948	65.8
453.25998	100.0
477.49124	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	453.334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00150	1.0
53.74585	0.9
53.74841	1.0
59.01384	100.0
66.75749	1.0
71.20621	1.0
74.36990	1.1
296.16739	1.2
335.67175	1.6
347.30753	2.5
393.31229	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	453.338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09483	0.7
56.17045	0.8
60.49026	0.7
65.84877	0.7
165.31587	0.8
202.26221	0.8
204.57861	1.0
271.10754	0.9
425.34308	8.8
453.33774	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00614	0.9
59.01381	37.9
61.98819	1.8
65.95949	0.7
69.93525	0.8
71.01376	29.9
73.02949	12.8
75.00838	1.0
83.01376	3.3
85.02954	5.0
89.02437	62.9
93.78415	0.9
97.02952	1.0
99.00880	17.9
101.01780	1.3
101.02441	32.3
102.02780	1.4
113.02434	10.3
114.02795	1.4
119.03490	8.8
125.02418	1.9
129.35168	1.0
130.92188	1.0
131.03477	4.3
142.06593	1.0
143.03548	1.1
144.66040	1.0
149.04524	7.6
152.82683	0.8
153.14284	0.8
160.07669	1.8
161.04578	1.6
191.05627	5.4
203.90308	1.0
322.12888	8.8
322.19580	1.5
454.17212	100.0
454.23755	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	455.1564
Annotation	5,10-Methenyltetrahydrofolate
Peak:m/z	Relative Intensity
54.08107	0.9
57.03451	93.0
59.01382	88.7
62.42799	0.8
68.58465	0.9
72.83701	1.0
81.03453	1.5
90.60168	0.9
99.04513	100.0
101.02431	20.0
113.02451	1.6
124.06835	0.9
125.02432	41.3
143.03503	5.0
145.02879	1.2
161.04576	1.7
196.31131	1.1
219.16949	1.3
246.89523	1.1
269.10315	2.4
275.23871	1.1
311.11426	1.6
347.94122	1.1
353.12390	4.6
363.96475	1.1
455.15631	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	455.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43757	1.1
57.03453	76.4
59.01383	100.0
68.41845	1.4
71.01378	2.1
73.02963	2.0
83.22566	1.5
86.44283	1.3
92.22480	2.1
93.95950	1.4
99.04514	90.9
101.02444	18.2
113.02513	1.5
113.20323	1.4
125.01585	1.3
125.02436	35.1
143.03506	2.2
154.25710	1.4
161.04539	2.7
175.04028	1.8
205.63280	1.4
256.09796	2.1
311.11661	2.4
313.40976	1.5
395.25519	1.5
412.30139	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	455.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07987	3.0
57.03450	100.0
57.25489	3.5
58.91863	2.9
59.01383	84.0
61.55274	3.1
64.45747	3.1
71.01371	45.0
73.02943	7.4
77.50462	3.5
85.02955	15.2
89.02446	67.8
99.04516	71.5
101.02430	60.4
110.67007	3.1
113.02446	74.1
116.86100	3.5
119.03510	33.2
125.02421	33.1
139.46758	3.4
141.05553	6.5
143.03491	6.9
149.04529	5.9
155.70242	3.5
159.10223	13.7
161.04532	33.0
162.03233	4.5
177.05626	6.0
179.05597	78.8
221.06720	17.0
250.29164	3.5
262.06189	3.3
263.07675	6.7
323.09894	34.6
352.57065	3.7
449.43967	3.9
455.15814	23.4
455.21078	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	455.1693
Annotation	Kushenol G
Peak:m/z	Relative Intensity
52.91312	0.3
57.95127	0.4
59.01379	4.2
66.87760	0.4
73.02934	0.6
78.95898	13.4
78.99313	0.4
96.96960	0.7
101.02402	0.5
101.70665	0.4
111.08115	0.6
152.99580	27.9
165.12842	20.0
171.00630	4.9
183.13901	100.0
191.10760	0.7
209.11812	2.6
227.03302	2.5
227.12892	10.8
245.04231	0.9
303.83679	0.4
304.77420	0.4
355.00916	0.4
359.57385	0.4
363.12466	0.4
437.16168	0.4
448.16595	0.4
455.16931	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	455.1694
Annotation	Methotrexate
Peak:m/z	Relative Intensity
51.20752	2.3
59.01378	13.8
62.43983	2.2
71.01392	3.0
81.38070	2.4
89.02431	15.0
101.02442	3.6
149.04565	6.3
169.06882	2.5
183.13979	3.3
244.55356	2.7
455.10526	3.7
455.16885	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	72.9
59.01381	100.0
71.01379	11.1
73.02940	4.4
78.82272	2.8
78.89313	2.4
85.02940	3.0
99.04505	85.4
101.02441	24.8
112.20736	2.5
113.02399	4.9
125.02429	37.6
143.03510	5.0
156.10396	2.7
161.04584	4.3
217.38803	2.9
311.15027	9.8
353.16162	10.2
455.18817	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	455.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27835	1.5
55.01886	2.7
57.03436	11.9
59.01105	2.5
59.01381	40.3
60.91000	1.4
61.03951	1.6
67.03242	1.5
71.01379	42.7
72.07191	1.8
73.02939	12.9
73.58949	1.6
77.72438	1.6
83.01376	12.1
85.02938	27.2
87.00868	2.1
87.76398	1.5
89.02443	9.9
95.01360	2.7
99.00858	3.5
99.04502	7.6
101.02431	58.4
102.49984	1.7
108.24083	1.7
113.02428	22.3
118.18607	1.9
121.02327	1.6
121.02972	26.4
125.02322	1.9
159.02940	4.1
161.04576	13.0
278.59180	2.0
307.17654	86.3
455.19174	100.0
468.24725	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	455.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	18.1
59.01377	30.8
65.00725	1.3
70.94827	1.3
71.01368	20.6
73.02936	14.9
83.01349	1.6
85.02953	15.3
89.02436	7.1
99.00872	5.8
99.04521	19.7
101.02441	40.0
109.83356	1.7
112.43648	1.4
113.02460	14.0
125.02428	10.7
129.01892	1.4
143.03459	1.6
161.04529	11.5
172.51198	2.0
263.15067	20.0
395.19223	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	455.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.8
59.01101	1.0
59.01378	16.7
61.98833	1.4
62.27401	0.6
63.48608	0.6
71.01373	18.5
73.02942	13.4
75.75343	0.7
83.01382	3.1
85.02946	8.2
89.02436	6.8
90.61990	0.7
95.01378	1.0
97.02904	0.7
99.00862	4.8
101.02439	32.2
103.32525	0.7
113.02444	14.6
119.03545	0.7
120.20911	0.6
125.02417	1.4
129.01973	1.0
131.03542	0.9
143.03499	1.4
153.53535	0.7
159.02940	3.2
161.04546	11.2
193.05103	0.8
227.55438	0.7
233.06435	0.9
261.25601	0.7
263.14996	19.9
375.84232	0.6
395.19241	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90925	1.0
55.01863	0.9
59.01382	20.0
61.98816	1.4
71.01373	19.8
73.02937	13.1
83.01392	2.3
85.02938	8.3
87.00845	1.2
89.02430	7.2
97.02939	1.3
99.00871	6.1
101.02437	32.8
101.03084	1.5
113.02435	12.7
125.02427	1.6
129.53616	0.9
143.03531	1.5
159.02994	1.6
161.04539	12.5
175.04019	1.2
182.08812	1.1
184.20207	0.9
263.15015	24.0
382.10284	1.1
395.19220	100.0
476.80313	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53809	0.7
59.01101	1.6
59.01384	22.7
71.01382	22.8
73.02932	12.8
83.01369	1.6
85.02942	10.3
87.00867	1.0
89.02440	9.1
97.02949	1.1
99.00880	5.9
101.02444	33.3
113.02433	16.8
115.92059	1.6
131.25766	1.0
134.23608	0.9
142.94315	1.3
154.47136	1.0
159.02988	2.0
160.01703	1.1
161.04552	10.9
171.19879	1.0
175.04016	3.7
202.49590	1.1
213.77650	0.9
233.06490	1.0
263.15015	20.7
395.19241	100.0
455.15768	2.3
455.24426	1.5
473.06226	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88543	4.4
79.95724	8.5
92.60399	6.5
96.95992	11.4
172.48016	6.4
195.68539	6.6
209.11882	77.1
227.12936	9.3
455.24442	100.0
463.85638	7.0
470.29660	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	455.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46477	0.8
55.25966	0.9
59.01382	60.1
61.19687	0.8
62.07562	0.9
71.01377	23.8
71.25746	1.0
72.99313	1.1
85.02945	5.8
89.02438	26.4
92.22453	1.1
94.94783	0.9
95.01378	1.3
101.02443	18.7
113.02444	11.6
119.03511	10.2
179.05678	1.3
182.23164	1.0
275.20105	12.1
280.68796	0.9
293.21109	8.2
331.27286	1.1
399.23267	1.0
414.61639	1.2
455.26526	100.0
458.06982	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.5
59.17377	0.3
61.57571	0.5
87.30048	0.4
101.62454	0.5
271.60745	0.4
381.30270	0.9
409.30920	0.5
411.32730	2.4
455.31717	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
59.16432	0.7
59.17256	0.7
62.28240	0.7
64.68986	0.7
65.26494	0.9
115.39114	0.9
122.69650	0.8
127.88443	0.9
141.80338	0.8
183.53302	1.0
264.74203	0.9
290.57425	0.9
409.34851	5.6
455.35379	100.0
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	Oleanolic acid
Peak:m/z	Relative Intensity
56.44309	0.2
102.75413	0.2
309.58643	0.3
409.34778	7.4
437.34082	0.9
455.35358	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28974	0.3
52.93608	0.3
58.87700	0.4
68.23962	0.3
69.45029	0.4
74.17162	0.4
82.76407	0.5
101.42690	0.4
114.31831	0.4
127.60511	0.6
148.21127	0.5
170.01067	0.4
231.18120	0.5
255.95558	0.4
364.15036	0.4
441.40039	0.6
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	456.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.2
61.98833	100.0
70.52796	0.4
70.56606	0.5
119.50347	0.4
147.76230	0.4
154.33571	0.4
224.91934	0.5
396.19110	1.0
448.77466	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41152	0.2
52.51883	0.2
59.01370	0.3
60.35222	0.2
61.98837	0.6
70.51309	0.2
72.00908	6.6
91.05515	0.3
138.05635	2.0
147.04523	31.0
158.74243	0.3
160.65202	0.2
164.07176	100.0
165.07428	0.2
169.46994	0.2
184.38564	0.3
456.18814	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	456.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11965	0.4
59.01375	0.6
61.98833	100.0
90.67386	0.4
94.57106	0.5
119.85492	0.4
129.96637	0.4
148.65579	0.5
222.36105	0.5
327.24353	0.5
428.32938	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0645
Annotation	Unknow
Peak:m/z	Relative Intensity
62.51652	0.4
62.66173	0.5
66.78424	0.5
71.01407	0.5
71.06660	0.5
72.99301	4.4
73.72919	0.5
78.95900	3.1
79.95728	0.5
96.96005	100.0
96.96908	8.3
110.03607	0.8
114.52933	0.5
115.00332	1.0
128.71634	0.5
135.04498	0.8
161.36346	0.5
179.03529	4.0
186.16980	0.6
197.04573	14.1
215.13977	0.7
225.25490	0.6
293.09271	0.6
331.06973	0.6
359.09906	10.2
459.16714	0.6
467.36948	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16265	0.4
51.42356	0.4
57.03443	2.8
59.01371	0.6
83.01385	3.1
100.98154	0.5
107.01373	0.5
113.02490	0.7
123.04590	0.7
123.38034	0.6
125.02438	100.0
134.03743	0.7
139.03984	4.2
149.02443	10.7
151.00363	2.2
163.35956	0.5
167.03494	12.8
175.04022	0.8
178.02823	0.6
179.03569	0.9
191.03548	2.4
193.05051	2.3
209.04572	14.2
233.04564	4.4
251.05684	1.1
326.27200	0.6
329.08832	2.3
371.09662	0.7
413.10928	44.3
457.13535	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	457.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92212	0.7
59.01382	5.2
71.01385	1.3
73.02940	3.8
81.03434	1.2
83.01385	4.5
88.98791	1.7
89.02452	4.5
101.02469	1.5
113.02396	1.4
113.39902	0.8
119.05016	31.2
123.04506	19.4
125.02435	100.0
128.03519	1.8
145.02957	20.7
149.02461	7.6
151.00356	3.7
163.04015	43.0
163.95235	1.0
165.05573	45.1
167.03477	13.4
186.13857	1.0
187.04068	1.3
191.03529	23.5
191.28670	1.2
209.04576	28.9
413.10919	52.2
457.13654	31.4
457.23779	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	457.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.8
59.01381	7.5
63.56141	0.6
64.04527	0.5
67.01865	1.1
68.99821	1.3
69.03465	1.0
71.01371	10.3
75.00853	6.3
83.01382	1.5
85.02943	11.0
87.00868	3.8
89.02451	1.6
89.87091	0.7
90.43301	0.6
91.03999	0.8
95.01380	2.8
95.38584	0.6
99.00882	0.7
101.02436	1.0
111.00841	2.7
113.02428	21.7
115.26352	0.7
117.03429	6.3
124.55275	0.7
125.02412	3.9
129.01897	2.3
134.03731	77.4
135.04504	3.3
139.00369	1.3
149.06075	13.5
160.01700	2.5
161.02449	0.8
175.03986	10.6
179.03513	0.7
190.66747	0.7
193.05052	80.0
205.07182	0.9
249.06047	1.1
252.06375	1.0
263.07706	6.8
267.08923	0.8
270.83585	0.7
281.08798	16.8
347.76752	0.7
381.11896	3.8
399.67435	0.7
413.11029	0.9
425.10898	4.4
457.13556	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	457.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27293	0.9
53.11475	0.8
56.62489	0.8
59.01373	1.5
63.16055	1.1
69.50090	1.0
71.01364	2.2
71.43003	1.0
73.02949	1.3
81.03446	1.8
81.59758	1.1
88.86005	1.1
88.98775	1.3
89.02426	2.7
99.00878	2.6
99.04533	1.5
101.02419	2.1
110.27640	1.2
119.05016	87.7
123.04550	4.6
125.02418	14.4
128.03529	2.1
145.02927	1.6
149.06004	1.2
159.04581	1.1
161.06056	1.2
163.04005	100.0
165.05605	4.5
167.03488	48.1
187.04045	8.2
193.05063	1.8
197.04575	9.9
251.05646	14.0
281.06558	1.6
371.10043	1.1
413.11008	2.6
416.45041	1.3
457.13605	82.1
457.26968	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	457.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25842	0.2
52.91518	0.2
53.86372	0.2
56.37156	0.2
59.01383	5.0
71.01353	0.3
81.29015	0.3
91.98562	0.3
103.78960	0.2
106.07351	0.2
106.10120	0.2
110.31759	0.2
113.02412	0.4
123.72076	0.2
124.32900	0.2
125.02423	3.9
125.06052	0.4
151.00356	0.5
165.09213	13.2
209.08206	100.0
246.49936	0.3
251.09297	0.4
273.04865	0.2
413.14636	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	457.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.1
67.01384	0.6
67.62209	0.6
72.99302	72.5
82.39112	0.5
89.02410	0.8
97.06933	0.6
115.03978	0.9
119.05004	1.2
123.04507	21.3
135.04518	28.7
145.02873	0.7
163.04022	1.0
167.59650	0.6
177.49942	0.6
179.03500	73.4
197.04562	100.0
212.65157	0.7
299.66440	0.7
359.05280	0.9
359.09863	37.7
457.13550	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	457.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40250	0.4
55.01881	0.5
57.03447	0.4
59.01385	9.2
71.01375	20.6
72.99316	0.6
73.02936	10.0
83.01395	3.4
85.02938	8.1
85.03362	0.6
87.00816	0.5
89.02438	5.4
95.01369	2.1
96.95954	0.6
97.02962	0.8
99.00869	16.0
101.02430	13.8
113.02445	10.2
118.05107	0.6
128.35905	0.5
129.10353	5.8
130.08737	5.6
131.03484	1.1
143.03532	0.6
143.11938	2.0
148.05302	69.7
149.06081	3.7
159.02972	1.0
161.04543	13.1
163.07645	100.0
165.39543	0.7
171.10251	0.9
191.05672	1.0
203.05676	0.6
225.16115	0.6
256.20270	2.3
325.12955	2.7
345.51746	0.5
352.39041	0.5
367.17264	0.7
369.29166	0.8
378.61386	0.6
413.27960	5.3
439.80118	0.5
457.17175	89.7
457.30783	4.1
469.95517	0.6
470.34464	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	94.7
59.01381	51.2
60.84774	3.8
63.04276	4.0
71.01382	21.5
73.02932	4.6
85.02940	10.1
87.00869	5.4
99.04521	70.4
101.01877	4.5
101.02429	46.6
113.02428	18.8
125.02425	54.6
151.07622	63.1
155.98497	4.9
193.05147	5.5
233.08250	6.7
238.01482	4.8
295.11801	50.7
313.12970	100.0
330.51907	5.2
355.13882	33.5
457.17450	55.0
457.26135	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	457.172
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83464	0.6
59.01380	100.0
61.14547	0.6
71.01373	2.5
72.99290	0.8
73.02973	0.9
77.37415	0.7
85.02952	1.5
87.74931	0.6
89.02417	0.8
99.04510	0.7
101.02424	0.9
115.08717	2.6
119.05033	1.1
125.02407	4.2
128.03519	4.8
130.08762	1.6
134.03748	6.1
145.03008	0.7
146.03717	25.8
146.04787	1.0
149.06065	4.0
161.04669	2.1
161.06050	13.9
163.04024	1.0
164.04791	18.6
164.08421	8.1
165.09258	1.2
175.21445	0.7
175.88091	0.6
179.07140	46.8
187.03996	1.2
193.05070	6.0
194.44696	0.7
397.11499	3.3
413.15158	0.9
457.26993	7.0
460.06223	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	62.7
59.72659	0.9
63.43789	1.0
71.01376	30.7
73.02940	42.1
76.88205	0.9
78.36185	1.0
79.43293	1.0
83.01385	5.0
85.02944	2.7
87.00883	1.0
89.02434	37.2
91.75933	1.0
98.20216	1.0
99.00874	100.0
101.02441	27.0
101.41719	1.0
113.02454	18.3
114.05579	1.1
119.03509	6.4
125.02409	5.1
131.03522	11.3
136.05054	1.3
138.18030	1.1
143.03447	2.1
149.04549	21.8
155.03491	2.1
157.42755	1.3
161.04581	7.8
161.59454	1.0
191.05603	28.7
193.05069	1.1
203.05598	11.1
229.14313	2.5
233.06638	5.9
244.76797	1.1
335.10031	1.9
379.63184	1.2
386.60757	1.1
415.16043	9.3
457.17245	62.4
457.27057	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	457.185
Annotation	15(S)-Fluprostenol
Peak:m/z	Relative Intensity
59.01377	8.7
59.07018	2.0
64.79293	2.5
73.79782	2.0
89.02429	2.9
92.08224	2.2
92.23156	2.9
93.43659	1.8
206.62299	2.2
353.95224	2.5
421.20740	24.7
457.18506	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	457.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19295	1.1
57.03453	1.3
59.01384	20.5
61.21818	1.2
63.90403	1.2
68.39268	1.3
71.01376	25.0
73.02937	10.7
73.75101	1.1
78.30468	1.1
83.01385	6.5
85.02962	13.6
87.00894	2.5
89.02419	14.4
96.96017	2.8
99.00874	6.9
101.02435	37.8
111.00936	1.3
113.02429	18.2
119.05004	7.4
121.82267	1.3
125.02468	1.6
131.03500	1.6
131.99831	1.6
149.04561	1.8
161.04529	12.6
163.03972	6.9
203.08240	1.8
221.52084	1.4
226.15631	2.6
235.11873	10.2
253.87904	1.6
397.17163	100.0
408.39624	1.7
439.16989	5.4
457.18634	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	457.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38029	0.6
57.28917	0.5
57.39756	0.5
59.01100	0.9
59.01381	20.1
71.01377	27.1
73.02941	10.1
75.00863	0.6
75.11481	0.5
80.57073	0.6
83.01373	5.1
85.02946	13.7
87.00885	0.7
89.02443	8.0
91.35889	0.7
95.01367	1.3
96.95985	0.9
99.00894	4.9
101.02437	34.7
113.02445	16.4
119.03418	2.3
119.05008	3.9
125.02467	1.0
134.80861	0.6
143.03477	1.3
159.02968	1.5
161.04564	11.6
163.04039	5.4
193.05148	0.8
199.08737	0.7
226.15677	1.5
235.09668	1.2
235.11862	15.2
285.62225	0.7
304.41055	0.8
397.17188	100.0
411.18732	3.2
435.30057	0.9
457.19165	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	457.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
67.45481	0.4
70.97501	0.5
99.92574	4.4
100.91936	0.5
100.93356	54.3
115.92067	100.0
116.92844	8.9
132.92386	0.9
138.86345	0.5
172.95486	4.6
243.06369	0.5
283.26395	2.1
408.80646	0.6
427.35989	5.1
439.21805	0.6
457.22675	17.9
457.36984	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	457.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16570	1.5
51.94898	1.3
52.43993	1.2
58.09570	1.5
59.01386	36.1
59.64712	1.3
67.70358	1.3
68.90295	1.5
71.01374	2.0
85.02953	2.5
100.11585	1.7
129.01906	1.6
131.04601	3.3
135.08171	8.4
137.06111	7.4
161.06044	1.6
162.06842	6.4
185.11835	17.5
189.12842	8.9
197.11772	1.9
221.11847	7.5
223.13347	23.5
231.13985	2.7
233.11853	6.8
239.12923	3.1
249.14963	26.6
251.12990	13.2
269.15570	3.1
287.16534	26.1
305.17603	61.0
323.18619	9.3
325.16595	10.9
346.99054	1.9
362.92773	1.7
379.21301	100.0
397.22357	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	457.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16570	1.5
51.94898	1.3
52.43993	1.2
58.09570	1.5
59.01386	36.1
59.64712	1.3
67.70358	1.3
68.90295	1.5
71.01374	2.0
85.02953	2.5
100.11585	1.7
129.01906	1.6
131.04601	3.3
135.08171	8.4
137.06111	7.4
161.06044	1.6
162.06842	6.4
185.11835	17.5
189.12842	8.9
197.11772	1.9
221.11847	7.5
223.13347	23.5
231.13985	2.7
233.11853	6.8
239.12923	3.1
249.14963	26.6
251.12990	13.2
269.15570	3.1
287.16534	26.1
305.17603	61.0
323.18619	9.3
325.16595	10.9
346.99054	1.9
362.92773	1.7
379.21301	100.0
397.22357	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	457.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12693	1.0
53.02412	0.9
55.07366	0.9
55.12710	1.0
56.42054	0.9
58.62442	0.9
59.01107	1.3
59.01387	29.9
59.52320	0.8
61.15636	0.9
61.94283	1.0
71.01379	14.0
71.05025	1.3
73.02948	5.9
83.05035	0.8
83.83645	1.1
85.02942	1.4
87.70934	1.1
89.02442	26.8
99.00880	23.7
101.02437	12.1
107.05014	4.1
109.06601	1.5
113.02434	12.0
117.67433	1.1
119.03499	6.5
130.77803	1.0
131.03555	2.3
131.04543	2.9
149.04550	1.7
151.07619	12.3
161.04584	1.4
162.06912	1.4
166.61102	1.1
171.10291	2.4
189.12811	1.4
191.05656	5.9
195.10120	1.1
221.11845	2.5
223.13385	6.8
233.11810	2.2
249.15016	11.3
251.12910	4.1
287.16635	8.4
305.17648	16.3
379.16464	1.0
379.21301	32.5
397.22269	5.4
421.20853	100.0
457.18475	34.9
457.24066	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	457.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70915	1.3
59.01381	34.5
63.82566	1.3
66.05267	1.5
71.05011	7.1
72.58700	1.4
79.95316	1.5
96.16633	1.5
99.04527	1.9
107.05042	3.2
111.08144	1.5
113.00412	1.6
116.90479	1.6
151.07640	22.4
162.06866	7.0
164.08553	1.9
170.99687	1.5
171.10237	2.9
189.12837	6.5
197.11995	1.7
221.11829	13.3
223.13382	23.0
224.29800	1.4
231.13939	2.5
231.49066	1.5
233.00020	1.6
233.11848	8.7
247.13544	2.6
249.14958	32.2
251.12895	10.4
265.14648	2.5
276.11545	1.5
287.16541	29.7
303.40570	2.0
305.17627	59.0
305.20895	3.0
323.18744	3.5
325.16592	8.7
379.21295	100.0
397.22241	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	457.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56012	0.8
50.58619	0.9
59.01385	80.3
62.15226	1.0
71.05036	0.9
83.05006	1.1
85.64429	0.9
91.56948	1.0
95.05017	6.1
109.06585	5.0
122.03773	1.4
123.08125	4.1
123.28849	1.2
133.06601	49.4
147.08226	1.3
149.09654	3.9
151.07607	3.7
160.42796	1.1
175.11313	1.6
189.12862	6.2
243.17552	29.6
269.15543	2.1
287.16565	100.0
305.17615	7.1
318.18823	1.1
323.18552	1.8
361.20288	37.8
379.21216	6.8
384.73898	1.3
397.22290	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	457.245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
70.00420	1.6
71.25627	1.2
73.01524	1.3
78.40192	1.3
84.13371	1.3
88.66214	1.3
96.96006	3.3
124.50652	1.7
209.11830	2.4
277.07944	1.5
305.17813	1.4
311.22397	2.3
313.87396	1.4
323.18640	10.8
399.83957	1.4
457.23990	1.8
468.11710	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	457.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02971	1.4
58.83893	0.8
59.01385	9.6
62.26608	0.8
71.01382	1.2
73.04064	5.9
73.95369	0.8
87.05653	1.2
92.22575	1.3
97.04057	4.3
98.02432	3.2
114.78691	1.0
115.05121	50.6
119.05013	1.2
121.91510	0.9
129.10332	1.2
130.08733	100.0
132.56184	0.9
140.07185	4.1
144.07767	1.7
157.13426	0.9
168.07736	6.9
183.11378	1.4
186.08852	2.2
199.12758	1.1
199.18176	11.0
225.16049	1.7
243.17213	8.2
270.21890	43.7
314.20807	6.8
327.24060	10.6
369.25143	1.3
408.19290	1.1
413.24109	78.8
457.26758	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	457.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	36.3
60.56070	2.0
63.37165	1.5
71.01380	11.7
73.02926	3.0
75.35439	1.8
77.23673	1.7
77.78805	1.6
83.01372	2.0
85.02946	7.2
89.02439	15.6
94.81839	2.0
101.02434	15.5
113.02454	11.6
113.98608	1.8
119.03472	2.5
134.58322	1.7
153.25021	1.9
160.26486	1.8
163.56944	2.7
182.85451	1.9
185.41606	1.8
220.56766	1.9
246.85011	2.3
277.21741	11.8
295.22757	11.6
362.75745	2.0
457.28149	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	457.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
61.34426	2.2
80.79269	2.1
81.03445	11.5
83.05020	100.0
83.78062	2.4
87.63561	2.2
92.23189	3.0
101.06068	9.6
113.21932	2.6
127.04015	4.9
145.05115	22.4
157.76779	2.4
201.07681	5.6
219.08679	3.6
247.00551	2.3
255.23302	38.8
457.31937	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	457.333
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99080	0.6
53.71499	0.6
59.01384	0.6
69.86486	0.6
89.32462	0.7
95.05039	0.7
97.06616	0.7
99.46706	0.6
107.05016	9.2
109.06583	76.2
123.37215	0.6
183.92384	0.6
207.17705	0.9
217.33224	0.6
303.26935	26.2
317.24884	0.8
353.28528	0.8
355.30069	8.7
357.31662	0.7
369.31656	6.9
386.77274	0.7
395.33356	6.4
411.32693	10.3
413.34753	4.3
431.18658	0.8
434.13977	0.8
457.33438	100.0
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
59.23937	0.8
79.99163	1.0
107.05014	5.9
109.06579	100.0
110.22846	0.9
303.26953	26.1
357.31506	2.0
395.33224	1.6
402.08929	1.3
413.34323	11.0
431.35284	5.0
457.33286	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	457.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53096	0.9
59.92001	0.9
69.03455	2.4
88.52941	1.1
97.43235	1.1
99.05260	1.1
107.01199	1.0
109.06589	28.3
112.98782	0.9
119.80482	1.1
141.38438	1.1
209.67212	1.1
214.21230	1.1
229.11211	1.1
238.91269	1.3
325.28937	2.1
336.97000	1.2
341.28494	1.7
355.30069	15.1
357.31677	23.6
369.31488	2.5
379.30255	8.3
385.31042	5.6
385.34900	6.0
395.29248	1.7
397.31134	61.1
411.32739	6.8
413.34271	70.2
457.33279	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3693
Annotation	Soyasapogenol B
Peak:m/z	Relative Intensity
57.23500	0.2
70.10240	0.2
80.07719	0.3
135.52538	0.2
139.49385	0.3
151.36635	0.2
164.75687	0.2
167.38130	0.3
367.02094	0.3
411.36359	6.6
439.35977	0.5
457.36938	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73990	0.4
59.01380	0.9
61.98831	100.0
65.50195	0.4
66.85424	0.4
82.10246	0.4
93.86648	0.5
102.09064	0.5
110.81158	0.5
138.91505	0.5
145.50458	0.5
185.02626	0.5
211.25580	0.5
288.07086	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36480	0.6
54.81902	0.6
59.01380	2.5
59.14412	0.5
62.46651	0.5
67.69914	0.5
71.01380	0.7
72.99302	0.7
81.03430	0.6
83.01404	1.1
101.02415	0.6
113.02428	0.6
123.04510	13.0
125.02442	12.6
128.03549	1.1
130.08833	0.7
134.03760	0.7
149.05975	0.8
151.00398	0.7
160.01649	1.0
162.77605	0.7
163.04059	1.0
165.05557	0.8
167.03497	100.0
175.04034	4.7
181.05066	3.8
191.03500	17.6
193.05075	9.1
209.04565	9.2
211.06116	10.0
217.05090	0.9
221.04539	0.9
225.73193	0.7
235.06136	2.3
371.09891	15.0
397.11398	0.9
415.12518	42.8
459.15417	7.8
459.21252	0.7
459.24750	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	459.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36480	0.6
54.81902	0.6
59.01380	2.5
59.14412	0.5
62.46651	0.5
67.69914	0.5
71.01380	0.7
72.99302	0.7
81.03430	0.6
83.01404	1.1
101.02415	0.6
113.02428	0.6
123.04510	13.0
125.02442	12.6
128.03549	1.1
130.08833	0.7
134.03760	0.7
149.05975	0.8
151.00398	0.7
160.01649	1.0
162.77605	0.7
163.04059	1.0
165.05557	0.8
167.03497	100.0
175.04034	4.7
181.05066	3.8
191.03500	17.6
193.05075	9.1
209.04565	9.2
211.06116	10.0
217.05090	0.9
221.04539	0.9
225.73193	0.7
235.06136	2.3
371.09891	15.0
397.11398	0.9
415.12518	42.8
459.15417	7.8
459.21252	0.7
459.24750	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	459.1302
Annotation	Pectolinarigenin 7-rhamnoside
Peak:m/z	Relative Intensity
51.58445	0.5
51.90966	0.5
53.93224	0.6
56.51390	0.6
59.01377	1.4
65.81073	0.6
66.86797	0.8
66.96539	0.6
82.29742	0.7
91.01881	8.4
119.05016	58.8
127.62853	0.8
135.00880	76.4
148.01642	1.0
153.01927	29.6
174.01695	0.9
255.06638	100.0
336.50211	0.8
459.13010	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	459.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15891	0.5
52.20700	0.7
57.19038	0.7
58.43874	0.8
59.01380	16.6
69.86491	0.8
71.01380	11.8
71.68537	0.8
73.02939	35.9
74.02473	1.3
89.02432	25.2
93.45733	0.9
99.00862	6.5
101.02418	8.9
103.00344	1.6
113.02433	8.1
115.67258	0.8
117.01929	100.0
119.03479	8.5
119.81000	0.8
131.03403	0.9
131.04608	1.5
161.04445	1.4
179.05565	5.4
184.55151	0.8
190.27129	1.0
191.01904	1.0
192.52316	0.8
212.03299	0.8
274.83298	0.8
274.86356	1.1
341.10895	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	459.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96327	0.5
57.03451	25.4
59.01381	29.1
61.61895	0.5
68.99825	0.7
69.03405	0.7
71.01379	12.6
72.99294	1.1
73.02923	3.2
75.00507	0.7
75.00869	10.0
81.03428	0.5
83.01354	2.5
85.02481	0.9
85.02945	17.1
87.00863	4.7
89.01078	0.5
89.02451	4.6
95.01396	4.4
99.00876	8.0
99.03916	1.2
99.04514	24.3
101.02435	10.0
103.00361	1.1
111.00822	0.7
111.08115	3.3
113.01657	0.9
113.02440	21.6
115.00359	0.8
117.01899	2.2
125.02434	7.8
127.03975	0.9
129.01874	1.0
131.03476	0.8
137.09779	0.6
143.03476	1.3
155.74513	0.5
161.04527	2.3
165.12831	20.7
181.12202	1.1
183.13901	100.0
191.10818	0.7
205.07115	1.0
209.11830	6.3
227.12845	4.3
249.06161	0.8
315.18130	2.2
357.19180	3.8
399.23605	0.6
415.19754	33.6
459.18561	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	459.2009
Annotation	17,21-Dihydroxypregn-4-ene-3,11,20-trione 21-(hydrogensuccinate)
Peak:m/z	Relative Intensity
50.77656	1.2
56.14260	1.2
59.01382	59.2
71.01403	2.1
81.31926	1.4
85.02932	1.4
91.04007	2.1
101.02472	2.3
106.04228	2.3
111.08177	2.0
113.03538	2.6
113.70950	1.4
122.26066	1.4
123.08130	3.3
131.04625	10.4
135.08167	25.3
153.12878	6.1
171.10245	3.6
185.11861	2.0
197.11870	8.3
215.12891	3.0
218.42485	1.4
218.91965	1.8
223.13345	8.5
224.50945	1.5
229.15761	1.4
245.13805	2.0
245.19026	6.9
246.64532	1.4
249.14853	13.7
263.16663	1.9
289.18106	100.0
307.19095	2.9
323.18655	3.5
327.21512	2.0
363.17737	2.7
363.21823	40.9
367.26016	13.5
423.22678	15.2
459.20056	66.6
459.25494	2.6
459.30865	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	459.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	3.7
63.66114	2.2
70.75021	2.6
71.01384	4.1
79.13622	3.5
81.35571	2.7
101.02423	5.2
102.36834	2.8
153.98334	2.8
168.62532	3.0
274.47403	3.0
423.22330	25.2
459.20108	100.0
466.44888	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	459.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	100.0
58.19914	2.0
59.01102	4.2
59.01382	93.4
71.01382	20.4
73.02946	3.8
75.00871	3.9
85.02940	23.3
87.00880	3.5
89.02438	4.2
92.22448	2.4
95.01363	3.1
99.00862	10.7
99.04509	86.9
99.17749	2.2
101.02440	27.1
112.63676	2.0
113.02435	29.7
122.41367	2.2
125.02428	35.9
127.04085	2.8
143.03500	3.9
161.04504	8.9
165.12888	17.0
179.61955	2.4
183.04581	2.3
183.13899	85.5
190.56419	2.3
213.29091	2.2
227.12929	2.5
315.18188	11.9
357.19193	15.2
410.49017	2.4
415.19653	38.4
459.17847	66.7
478.82492	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	459.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00010	0.3
55.80699	0.3
57.03453	100.0
59.01384	80.4
63.96218	0.4
67.79425	0.4
71.01382	8.8
73.02954	0.9
74.85323	0.4
81.03469	0.5
83.01379	0.5
85.02943	1.0
89.02441	14.8
89.02966	0.8
92.13306	0.4
99.04516	88.1
101.02438	25.2
104.01585	0.4
113.02453	5.2
114.21266	0.4
119.03487	5.3
120.83767	0.4
125.02445	35.5
126.37298	0.5
143.03482	3.6
154.42255	0.4
161.04544	1.6
162.17680	0.4
179.05630	0.7
300.09064	0.6
315.18137	4.8
357.19220	7.4
392.80072	0.4
397.22217	0.9
399.23871	1.5
459.22205	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	459.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67939	1.5
57.03453	100.0
58.36792	1.5
58.82961	1.5
59.01384	86.9
59.87393	1.5
67.48740	1.7
67.81299	1.6
71.01369	7.8
73.02972	1.7
85.02901	2.2
89.02440	12.3
99.04514	87.0
101.02435	27.5
113.02428	3.0
119.03481	4.0
124.19393	2.3
125.02441	38.8
138.05072	2.1
143.03511	3.1
180.21098	2.3
262.48126	2.1
325.58038	1.9
408.00372	2.2
459.22604	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	459.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97516	1.1
57.03452	63.3
58.38737	1.2
59.01101	2.7
59.01383	66.3
71.01373	12.1
72.97306	1.5
73.02940	3.4
73.18008	1.2
83.01395	20.0
83.02502	5.6
85.02953	3.4
89.02399	5.5
91.92751	1.5
99.04513	69.6
101.02441	23.7
105.04629	1.7
109.55252	1.5
112.66142	1.3
113.02454	5.7
123.05644	100.0
125.02455	25.1
125.03555	84.5
129.26688	1.5
149.03561	56.6
161.04581	2.7
167.04614	38.0
197.89418	1.3
207.08052	1.7
314.60373	1.4
315.18042	2.7
357.19159	6.9
459.23233	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	459.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06525	0.5
55.01881	2.5
59.01383	0.9
67.03017	2.4
69.67908	0.5
72.00901	3.6
74.03624	1.0
81.49824	0.5
82.04095	0.8
85.20500	0.5
88.15508	0.5
94.03565	0.8
94.04105	14.3
96.05664	7.5
99.00870	29.0
100.04063	0.7
108.76083	0.6
109.06590	1.0
112.05047	0.7
116.03512	8.3
118.05090	11.5
125.09701	5.4
143.07007	0.6
159.10291	0.7
163.11255	1.3
170.11864	0.7
171.10266	18.1
180.14000	0.8
185.11859	5.7
197.11861	5.4
199.13394	1.1
207.10284	1.0
209.11838	32.1
211.87148	0.6
224.12894	1.4
225.12413	1.1
226.14458	3.4
233.06204	0.6
248.14070	4.6
250.15602	0.7
251.14066	3.8
266.15042	6.6
267.16034	0.7
268.16669	21.1
284.16214	9.7
358.19830	15.0
385.17905	0.9
459.24680	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2606
Annotation	Cosmosporaside B
Peak:m/z	Relative Intensity
51.34645	1.1
52.78577	1.4
53.25122	1.1
59.01382	56.1
79.48003	1.3
94.08985	1.4
116.17767	1.5
123.08169	3.4
135.08159	18.1
171.10243	1.5
183.75760	1.3
185.11819	1.9
191.14560	1.6
207.13869	1.9
245.19153	14.9
249.14993	44.3
263.16415	2.8
271.17093	2.7
289.18130	100.0
291.05344	1.4
307.19260	8.2
323.18594	12.9
363.21823	56.6
381.22916	2.6
459.20053	2.4
460.31018	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	459.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80703	0.4
57.03461	0.4
59.01382	100.0
71.01375	7.2
72.77741	0.3
73.02944	3.1
73.74062	0.4
75.88824	0.4
81.95126	0.4
83.01388	0.6
85.02959	4.5
87.04507	0.7
89.02441	2.1
95.01420	0.6
99.00904	0.5
101.02438	6.1
108.47308	0.4
113.02435	7.8
119.03497	0.5
125.02425	0.4
155.98535	0.4
161.04567	2.1
183.13927	0.7
197.70093	0.5
304.46735	0.4
343.21527	0.4
353.37967	0.5
399.23947	24.6
417.25128	5.9
454.55240	0.5
459.26395	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	459.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40353	0.6
56.68868	0.5
59.01382	100.0
60.33435	0.5
63.71097	0.6
63.87049	0.7
71.01376	6.6
79.55273	0.7
85.02943	1.2
89.02438	7.1
93.23064	0.7
94.58019	0.7
101.02435	4.2
105.21116	0.7
113.02409	2.6
119.03477	0.9
123.03045	0.7
141.69563	0.8
154.98520	0.7
196.60638	0.6
249.18651	1.5
268.13968	0.7
279.23331	5.1
288.03723	0.8
293.17633	1.7
297.24384	1.4
325.20206	8.7
367.24545	0.7
459.29712	35.1
484.56122	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	459.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38593	0.3
59.01383	100.0
59.55208	0.4
62.22818	0.4
78.87710	0.4
98.88087	0.4
101.40493	0.5
110.40096	0.4
127.76493	0.4
169.82401	0.4
212.09996	0.4
249.18701	0.8
275.16510	0.5
293.17770	4.4
325.20224	12.5
399.24167	1.0
421.38440	0.5
466.54941	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	11.8
70.02978	1.9
71.02488	1.0
73.02943	0.9
95.02492	5.2
98.86422	1.1
101.02440	1.0
111.02006	1.9
113.03561	39.5
114.01957	25.5
115.07634	1.1
117.85323	0.9
126.81477	1.1
131.04620	100.0
154.37389	0.9
155.12959	0.9
171.10246	1.4
197.11807	3.8
199.13329	9.1
209.11833	1.3
227.12904	23.0
245.19084	1.3
249.14900	7.1
289.18042	8.1
309.20795	2.0
323.18835	1.6
326.20682	1.0
327.21851	33.4
343.21259	1.4
363.22021	7.0
415.19852	1.1
459.18243	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	459.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10555	0.5
55.19118	0.6
63.13216	0.6
74.26586	0.6
90.99008	0.6
107.05024	19.1
118.12064	0.6
163.11282	94.8
193.14200	0.6
222.67851	0.8
226.53326	0.9
230.93794	0.8
283.17062	48.4
295.17020	26.4
459.29077	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	459.297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01904	0.5
57.97423	0.4
59.01382	75.0
69.85976	0.5
71.01376	15.9
73.02947	0.7
74.80180	0.5
83.01384	0.7
85.02950	3.2
89.02430	19.0
95.01379	0.7
98.45967	0.7
101.02436	13.5
113.02431	7.9
119.03487	6.0
129.78101	0.6
183.13867	1.4
257.66821	0.6
259.67261	0.7
279.23312	14.9
293.17566	0.8
297.24274	5.3
325.20181	4.5
383.37296	0.7
459.29700	100.0
464.41260	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79567	0.9
57.11399	0.9
59.01385	2.5
62.44329	1.0
66.76911	1.0
69.03456	1.0
72.99304	1.1
73.65788	1.0
89.02431	2.0
92.22647	1.5
94.04227	5.4
95.05035	11.4
109.17093	1.1
125.79028	1.0
251.12135	1.2
279.23325	7.5
355.30136	13.3
367.30167	1.4
369.31863	2.2
371.33237	100.0
386.28278	1.3
397.80695	1.3
415.32162	17.9
438.09302	1.3
459.30222	80.9
459.35806	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	459.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04167	0.7
54.98448	0.6
61.99255	0.6
69.03118	0.6
69.03445	4.5
96.71925	0.7
107.05016	1.3
109.06581	58.9
183.33969	0.7
210.05998	0.7
222.01733	0.8
264.45993	0.7
283.26147	0.7
303.27023	1.5
327.26871	1.1
343.30081	44.3
345.27893	0.7
368.09454	0.7
371.33209	22.5
397.31183	14.0
415.32217	40.1
433.11121	0.7
439.30359	0.7
450.15921	0.7
459.31226	100.0
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	Unknow
Peak:m/z	Relative Intensity
51.99382	0.3
79.79054	0.3
109.06551	0.5
126.48289	0.3
150.78903	0.3
207.17531	4.6
395.33124	0.7
413.29489	0.4
413.34311	6.0
415.32358	0.3
441.33762	1.3
459.34891	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98532	1.0
59.01382	4.5
61.98831	100.0
73.03906	0.8
76.74864	0.9
85.35813	0.9
105.93455	0.9
170.49153	1.0
223.64145	1.1
425.92557	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.6
65.00321	0.7
69.63830	0.3
73.02943	0.3
73.86446	0.3
74.02488	0.3
85.02910	0.5
92.23092	0.7
93.03444	4.5
149.99661	0.4
151.00417	0.6
157.62747	0.4
163.00398	0.8
165.01926	23.9
178.02690	2.2
206.02246	0.7
212.04761	1.5
227.03578	0.8
228.04221	0.4
240.04335	5.8
243.06552	3.3
255.03018	5.2
255.06691	0.7
256.03729	4.3
259.03885	0.4
271.06149	32.8
283.02499	34.1
284.03296	17.4
297.04056	0.8
298.04861	23.3
299.05640	100.0
324.13693	0.4
341.06702	1.6
461.10989	28.7
461.21307	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	461.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13486	0.2
54.12982	0.2
59.01380	0.9
59.81567	0.2
65.00313	0.4
71.88058	0.2
93.03448	5.1
97.02930	0.3
98.19602	0.2
121.65931	0.2
147.04623	0.2
150.92575	0.2
151.00333	1.3
163.00334	1.7
165.01915	30.1
178.02734	2.8
179.34839	0.2
206.02214	0.5
212.04750	1.8
228.04283	0.5
240.04298	7.6
243.06584	4.9
248.25389	0.2
251.56277	0.2
255.02956	2.0
255.06567	1.6
256.03717	3.1
271.06143	41.8
283.02493	14.0
283.05237	0.3
284.03293	12.9
297.04050	1.9
298.01514	0.3
298.04843	7.5
299.05627	100.0
341.06702	1.3
461.10980	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	461.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85736	0.2
56.41584	0.2
57.49741	0.2
59.01378	3.9
60.34369	0.2
65.00323	0.4
73.02947	0.2
86.02454	0.2
87.56390	0.2
93.03449	4.3
97.02918	0.3
129.01965	0.2
151.00360	0.9
151.75525	0.2
154.06451	0.2
161.99593	0.3
163.00369	1.4
165.01923	24.8
178.02748	2.5
195.39900	0.2
206.02156	0.8
212.04735	1.8
227.03519	0.4
227.07072	0.3
228.04286	0.9
239.03586	0.3
240.04291	6.5
243.06606	3.9
255.02977	5.2
255.06725	1.5
256.03766	4.1
271.06143	34.5
283.02499	34.6
284.03290	19.3
297.04053	2.2
298.04846	24.7
299.05627	100.0
341.06610	1.3
401.25491	0.2
461.10971	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	461.1096
Annotation	Peonidin-3-O-beta-galactopyranoside
Peak:m/z	Relative Intensity
58.47819	0.4
61.98820	2.5
65.11213	0.4
93.03436	0.4
95.74165	0.5
151.64821	0.6
152.99559	0.6
161.99562	0.6
165.01881	0.7
227.03485	3.2
228.04388	0.7
243.06657	0.9
245.68596	0.5
255.02988	14.0
256.03799	5.1
271.06042	0.6
283.02487	100.0
284.03290	31.8
298.04846	77.9
299.05627	74.7
299.09137	0.8
342.67612	0.6
436.55096	0.5
461.10962	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	461.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51424	0.5
57.03439	0.8
59.01398	0.7
71.01362	0.8
73.14806	0.5
83.01376	0.7
88.98779	0.6
89.92779	0.6
104.46534	0.5
112.28498	0.5
123.04512	12.5
125.02437	59.9
134.09624	0.6
139.03987	1.1
149.02487	4.1
167.03496	100.0
179.03461	0.5
191.03642	0.8
205.13313	0.6
209.04451	0.8
210.59346	0.7
216.08949	0.5
235.55479	0.5
262.10217	0.5
281.83649	0.6
299.07776	0.9
401.10898	1.1
419.11865	4.9
461.13074	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	461.1307
Annotation	Saccharumoside C
Peak:m/z	Relative Intensity
52.39425	0.4
59.01377	0.8
59.74702	0.5
63.92717	0.5
71.01373	1.1
79.75223	0.5
89.02486	0.6
99.00863	1.0
101.02441	0.8
108.02160	7.9
113.02473	0.6
123.04515	13.6
137.14482	0.7
151.99908	1.2
152.01143	34.8
161.04480	0.5
167.03491	100.0
167.74821	0.5
205.65749	0.6
212.19154	0.5
265.07376	0.5
329.08694	0.8
343.32993	0.6
461.13046	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	461.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27064	1.7
58.92878	1.9
59.01380	11.2
71.01376	23.0
73.02942	12.5
83.01353	2.2
85.02937	10.9
89.02432	9.8
99.00878	4.5
101.02434	28.3
111.51258	1.8
113.02448	19.7
127.04012	2.0
129.17094	1.8
134.79544	2.0
141.10953	1.7
149.06018	2.4
159.03003	2.5
161.04543	14.7
269.10345	11.4
318.40881	2.4
401.14551	100.0
461.16736	3.6
461.25397	3.4
475.49152	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	461.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.0
57.03447	0.5
59.01382	11.8
59.01683	0.4
69.03435	0.2
71.01377	29.8
73.02943	13.7
75.00864	0.4
75.48052	0.2
79.38264	0.2
81.03448	0.4
81.78570	0.3
82.94071	0.3
83.01380	3.9
85.02949	11.2
87.00874	1.5
89.02440	7.1
95.01389	1.1
96.96055	0.3
97.02939	2.3
99.00883	6.7
101.02443	32.2
111.00867	0.3
113.02448	17.1
115.04006	1.8
125.02443	2.6
129.01932	1.1
131.03464	1.5
131.76302	0.3
142.30418	0.2
143.03505	2.9
159.02982	4.2
161.04555	17.7
170.77026	0.2
185.09299	0.5
211.03860	1.0
221.75679	0.3
233.06549	1.9
269.10342	12.9
292.55157	0.2
293.08871	1.1
345.53250	0.3
375.50525	0.2
401.14566	100.0
461.10349	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85095	1.3
57.03451	2.7
59.01383	32.5
71.01391	7.1
71.26379	1.6
73.02942	2.7
74.02469	23.0
83.01366	1.9
85.02945	7.1
86.02472	3.8
87.00871	37.2
91.53037	1.7
99.01985	4.1
101.02424	7.3
110.02509	2.7
111.00834	2.9
111.01981	2.9
111.08169	2.1
118.91546	1.8
125.03550	2.2
128.03529	20.2
129.01923	9.6
147.02986	8.7
153.03053	3.9
164.05661	15.4
165.12842	49.8
183.13898	100.0
197.15509	4.0
207.13936	3.8
209.11781	7.6
223.43463	1.7
225.14940	2.2
226.14496	2.7
227.12912	51.0
251.12846	3.7
269.13965	2.1
284.15173	2.2
299.05600	4.1
331.40884	1.9
338.16196	3.5
357.15613	29.8
374.18216	65.1
399.17828	2.3
400.16058	6.3
401.14673	2.4
401.21527	2.2
461.11511	4.3
461.17664	34.7
468.96082	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	461.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45765	1.5
54.12118	1.6
54.62514	1.5
59.01382	100.0
62.08474	1.3
71.01376	22.8
73.02939	22.6
83.01397	2.8
83.41213	1.9
85.02941	8.2
89.02454	18.2
92.98171	1.7
99.00911	1.6
101.02435	28.7
113.02454	13.6
119.03487	3.2
125.87873	1.6
127.11227	2.2
159.03087	1.5
161.04558	3.3
165.00519	2.2
184.99483	1.7
257.45294	1.6
283.02344	2.4
284.03265	2.1
285.18985	2.0
299.05396	2.5
331.21259	18.5
365.61026	2.0
417.21335	42.0
461.11066	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	461.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93209	1.0
59.01382	70.8
65.56233	0.9
67.46313	1.1
71.01372	23.6
73.02939	4.2
83.01366	1.1
84.33334	1.2
85.02950	4.4
87.75407	1.0
89.02445	21.6
95.01392	2.2
96.96009	2.5
99.00824	1.5
101.02433	16.2
105.93562	1.2
107.98512	1.0
113.02467	8.9
119.03492	8.1
137.02359	1.0
137.06104	1.1
139.06590	2.4
139.07648	51.1
143.03493	1.1
145.53897	1.1
156.07782	1.3
161.04573	10.6
162.03343	1.1
163.04039	1.5
168.07918	30.3
179.05621	1.5
179.10773	2.2
186.20117	1.2
186.22020	1.1
191.10806	18.2
209.11858	4.3
218.58026	1.1
220.03761	1.0
221.11871	14.8
239.12889	20.4
242.73257	1.3
257.23697	1.1
260.96298	1.0
371.17093	6.3
401.18198	100.0
461.20154	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	461.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20779	0.5
52.85234	0.5
54.56543	0.5
57.03452	1.2
59.01382	53.9
59.97956	0.5
61.98827	0.7
62.10663	0.5
63.08286	0.6
71.01376	17.5
73.02932	4.3
85.02950	5.4
85.56171	0.6
89.02434	19.7
93.13579	0.5
95.01376	1.0
96.96011	0.9
99.00851	1.4
101.02440	14.4
104.32085	0.6
111.04550	0.8
113.02444	11.5
119.03471	7.7
121.06567	0.8
129.50279	0.8
137.02423	2.6
137.05998	0.9
139.07651	37.0
143.03505	0.7
161.04544	8.5
163.07622	0.8
167.07054	1.5
168.07933	20.0
179.05582	1.3
179.10759	1.5
191.10785	15.8
195.16975	0.7
209.11804	3.2
216.13156	0.6
221.11879	10.9
239.12895	14.8
371.17227	5.1
401.18195	100.0
461.16168	1.0
461.20972	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	461.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49433	1.7
57.03448	12.9
59.01101	4.6
59.01381	76.5
69.51569	2.0
71.01374	41.3
73.02941	9.2
74.15321	2.0
74.39902	1.9
85.02946	14.0
89.02435	33.6
96.96000	2.2
99.00894	3.6
101.02429	37.0
101.92149	2.3
113.02438	20.5
119.03513	10.4
143.03514	2.5
159.02942	2.6
159.11765	9.8
159.88632	2.5
161.04543	19.7
177.12819	10.2
179.05643	10.3
185.09340	8.9
195.13916	10.9
239.12920	17.8
239.27144	2.4
315.59537	2.3
401.18500	100.0
461.20593	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	461.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14712	1.0
52.86977	1.2
57.03201	1.2
57.03446	11.5
59.01101	2.1
59.01382	47.0
62.87745	1.3
71.01383	30.0
73.02956	2.8
75.00871	25.5
83.01381	1.6
85.02945	9.4
89.02438	24.3
95.01360	1.9
99.00888	2.0
101.02448	17.5
113.02442	17.5
119.03493	9.0
143.03592	1.4
146.57689	1.4
159.11823	8.0
161.04564	3.4
171.12035	1.4
177.12802	12.8
179.05681	4.6
188.51865	1.4
195.13916	7.8
202.71857	1.5
221.11841	6.3
239.12872	17.1
401.18201	100.0
423.07602	1.7
436.88550	1.5
461.11014	2.6
461.20508	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	461.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	0.6
59.01381	100.0
69.03441	1.0
71.01376	11.2
71.05022	3.5
73.02963	0.6
78.91891	1.3
85.02960	2.8
89.02442	18.7
89.02958	1.0
94.44744	0.5
101.02423	6.8
107.56618	0.5
113.02438	6.6
119.03465	6.4
131.03474	0.6
143.03555	0.6
149.04520	0.5
157.10350	0.6
159.37198	0.5
161.04611	1.1
175.11246	7.4
177.12888	2.0
179.05615	9.6
185.19928	0.5
221.11858	14.7
397.44604	0.5
401.18173	46.9
415.16168	4.4
461.20627	7.2
478.47055	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04498	0.7
55.01894	0.8
59.01384	100.0
66.16240	0.7
67.32104	0.8
69.77479	1.0
70.28043	0.8
71.01009	1.6
71.01381	34.9
73.02956	10.1
83.01356	1.1
85.02943	11.6
85.81067	0.9
87.00873	1.0
89.02444	1.6
95.01383	1.7
96.00897	1.1
96.96034	1.2
99.00874	5.9
101.02431	19.4
113.02453	18.1
123.04523	1.1
125.02404	1.3
128.03563	1.2
129.01868	1.3
139.07646	18.4
143.03488	2.2
150.03154	1.0
152.01123	4.8
159.03018	4.3
161.04562	21.7
167.03487	15.5
209.11873	1.6
221.11931	1.1
239.12885	19.9
299.11456	1.1
311.14920	3.7
401.18219	59.1
415.14349	1.3
461.13214	9.6
461.20364	19.2
481.17599	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2305
Annotation	Arg-Lys-Cys-Gly
Peak:m/z	Relative Intensity
57.03455	9.5
59.01110	1.2
59.01384	27.3
64.97816	0.9
71.01385	1.1
72.33407	1.0
73.02956	0.8
78.95904	12.1
99.04515	13.3
101.02442	2.0
110.98525	18.1
121.10264	1.0
122.34558	0.9
125.02396	5.1
167.01138	18.9
171.10329	1.2
179.14375	1.3
185.02185	4.1
195.13919	15.7
196.14667	1.5
207.07428	1.1
223.13356	11.0
231.21402	1.6
275.20200	8.7
283.02448	4.5
293.21255	43.2
298.04694	1.5
299.05640	4.1
359.20496	1.6
390.89865	1.6
401.25137	2.1
461.23141	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2317
Annotation	Arg-Lys-Cys-Gly
Peak:m/z	Relative Intensity
57.45941	1.6
57.72175	1.5
59.01106	2.3
59.01382	40.4
71.01366	2.6
71.05021	2.8
71.47700	1.5
75.00874	1.8
75.06100	1.8
77.81203	1.7
78.95897	8.6
84.54192	1.8
85.02908	2.2
110.98513	12.4
125.57620	2.0
126.52937	1.8
135.04497	8.6
167.01118	3.1
171.82280	1.9
185.02176	13.3
201.28705	2.1
223.17088	8.4
235.17050	39.8
275.20227	31.0
283.02472	2.8
293.18027	4.3
293.21234	100.0
298.04974	2.8
332.40958	2.3
417.29947	2.1
461.23065	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	461.2316
Annotation	Arg-Lys-Cys-Gly
Peak:m/z	Relative Intensity
58.88688	0.9
59.01379	21.1
63.77987	0.9
72.36354	0.9
78.95897	10.4
101.02446	1.2
110.98527	15.3
113.09711	2.1
118.87777	1.0
121.10214	6.2
167.01152	12.6
171.10278	17.8
185.02238	7.1
223.16982	1.6
235.16971	8.7
275.20197	26.0
293.21234	70.7
299.05618	1.6
312.24399	1.3
365.31268	1.0
461.23141	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.6
59.01374	2.2
60.10355	1.5
61.09097	1.9
67.03008	2.2
68.21502	1.8
72.00912	2.6
74.03586	14.4
82.04102	3.5
84.02038	2.7
84.90530	1.9
98.02480	2.7
99.00874	43.9
101.02395	2.4
116.03510	9.8
118.05093	50.8
133.06209	4.2
137.02440	23.9
140.54715	1.8
161.37860	2.2
168.10294	2.6
169.12347	20.7
175.08368	47.3
182.24120	1.8
191.38373	2.0
196.13409	2.7
211.13432	15.0
218.13069	2.8
221.12971	100.0
236.14143	8.2
238.15636	26.0
254.15100	55.3
328.15378	6.1
328.18823	14.7
429.23813	46.2
461.21127	4.4
461.26270	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	461.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26392	0.9
58.43615	1.2
58.77090	1.0
59.01379	29.7
61.37376	0.9
61.63447	1.0
61.98845	1.2
63.27406	1.0
63.67101	1.1
71.18969	1.0
91.04014	1.4
98.75438	1.2
136.24648	1.2
152.99484	1.4
164.52229	1.2
165.12877	1.6
191.10757	1.5
199.13403	32.8
209.11882	14.0
227.12906	100.0
230.65880	1.3
275.20337	1.5
301.16635	57.6
309.20657	5.8
327.21976	4.4
351.66629	1.6
383.24573	5.1
401.25549	1.6
461.23053	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	461.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65231	1.0
54.85563	0.8
57.66022	0.9
59.01381	100.0
61.88480	0.9
69.06266	1.1
70.53520	0.9
91.04024	1.5
101.50959	1.1
101.51608	1.1
102.02148	0.9
123.04525	1.2
125.09679	2.2
139.11296	1.4
165.12929	1.8
167.10725	2.4
181.12267	1.4
193.15944	1.3
209.11848	21.7
247.20599	4.4
291.19687	28.3
293.21353	4.2
309.20731	26.2
461.23044	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	461.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
65.20560	1.5
66.62517	1.3
78.95867	1.6
110.98536	1.5
112.22913	1.5
113.09740	3.3
124.39898	1.5
131.40521	1.4
149.38512	1.4
152.17300	1.4
167.10736	2.0
201.41618	1.6
209.11850	15.4
247.20576	2.6
291.19641	22.4
293.21182	15.7
309.20703	19.5
327.21606	1.9
452.19821	1.6
461.23099	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	461.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26565	0.8
54.56104	0.9
60.99311	1.2
62.33320	0.7
86.40777	1.0
105.07048	1.1
118.67670	0.9
132.85901	1.2
134.57132	0.9
182.76059	0.9
328.39047	1.3
399.36365	6.0
443.35266	4.5
461.36478	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	462.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03239	0.3
59.01381	2.8
61.98834	100.0
75.09280	0.4
91.04034	0.5
92.22459	0.5
172.26376	0.5
185.11841	0.6
244.67375	0.4
328.22250	2.7
402.25784	0.9
476.91208	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07007	0.3
59.99874	0.4
61.98833	100.0
80.40643	0.4
127.89145	0.4
155.92630	0.4
183.96172	0.5
209.11836	2.3
477.13831	0.5
489.54105	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07803	0.5
55.24577	0.5
61.98833	100.0
75.81062	0.6
79.88197	0.6
82.13996	0.5
95.44705	0.6
175.87575	0.6
462.20609	0.7
470.55026	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.0
61.98830	100.0
63.12984	0.5
76.65442	0.6
124.91684	0.6
148.97672	0.7
318.58939	0.7
327.21698	1.0
328.22318	4.1
394.95996	0.9
462.19711	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61076	0.4
54.68951	0.4
56.83627	0.4
59.01386	2.7
61.98830	100.0
62.50575	0.4
84.97116	0.5
89.46301	0.4
123.16069	0.4
195.62762	0.5
209.10342	0.5
226.02647	0.5
261.57104	0.4
264.36600	0.4
307.96786	0.5
328.22421	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96374	0.8
53.26046	0.8
57.03447	2.1
59.01382	11.1
63.13711	0.9
71.01379	10.1
73.02962	1.2
85.02924	3.7
89.02433	7.7
99.00933	1.5
101.02448	6.3
113.02464	5.5
119.03504	1.4
121.02948	1.5
129.76321	1.1
130.08743	1.1
139.07678	5.2
147.89537	1.0
151.00374	6.6
162.13683	1.1
178.99925	4.3
194.53625	1.2
245.95546	1.1
254.02171	1.3
255.03046	10.0
271.02448	22.1
272.03256	1.2
283.02811	1.3
300.02762	100.0
301.03537	20.3
319.13947	13.3
328.00595	1.0
361.15198	2.3
383.91013	1.1
463.08896	71.0
463.22601	11.7
483.32446	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.11
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.3
59.58256	0.6
71.01387	1.4
79.45294	0.7
81.53230	0.7
89.02426	1.7
96.96027	1.4
97.02928	0.8
97.06609	1.0
101.02414	1.0
111.75829	0.7
123.00869	1.6
124.01636	3.8
125.02438	51.2
137.02431	4.1
139.02837	0.8
149.99577	13.4
151.00372	9.9
153.01953	2.8
162.62944	0.7
168.00645	70.9
168.04251	2.7
169.01445	17.3
169.02837	1.1
178.24976	0.9
217.09854	1.0
283.11942	1.2
343.14114	0.9
445.09848	1.5
450.23383	0.8
463.10922	100.0
463.17743	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	463.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82882	0.2
57.03449	5.5
57.96550	0.3
59.01383	3.7
61.98785	0.3
66.24110	0.3
70.63591	0.3
71.01380	0.7
79.57773	0.4
81.03458	0.5
83.01385	4.7
89.02427	0.6
99.04521	0.3
99.90364	0.3
101.02443	0.4
105.64984	0.3
106.39964	0.3
125.02437	100.0
132.02150	0.5
133.95473	0.3
134.03743	3.3
135.04596	0.4
139.04007	1.2
149.02444	4.6
149.06073	0.7
160.01660	9.6
161.02441	1.7
163.14653	0.3
164.07285	0.3
175.04008	21.2
191.03481	0.4
193.05066	4.3
212.40744	0.3
235.06207	0.3
295.08246	1.2
337.09372	6.2
337.13229	0.5
417.63644	0.3
430.95529	0.3
463.12570	13.1
463.20688	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	463.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42434	0.6
53.88697	0.7
56.17365	0.8
57.03450	1.7
59.01385	1.8
61.28988	0.7
72.08071	0.8
73.04052	1.0
100.42618	0.8
106.04277	1.0
115.05111	5.5
125.02441	66.5
130.06212	5.1
130.08763	6.7
134.59538	0.9
134.60562	0.8
139.04042	1.4
143.03786	0.8
149.02480	7.4
151.00381	8.5
152.01140	1.9
153.01947	1.8
154.06210	1.4
155.49605	1.0
167.03488	1.0
167.29089	0.8
172.07265	0.8
178.99861	8.4
198.06898	1.4
209.11819	1.9
215.07159	1.7
229.08784	1.7
239.07175	1.7
242.05853	1.9
257.08203	3.7
268.03802	22.7
273.07715	33.2
283.06161	38.3
301.07208	14.5
365.58344	1.1
368.08438	1.1
435.13336	0.9
463.12546	100.0
463.21985	13.6
463.98566	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80608	0.9
59.01377	16.0
60.07211	0.9
71.01369	15.4
71.23711	1.1
73.02945	1.8
74.91225	1.0
79.76638	1.0
79.77793	1.0
89.02434	20.1
89.70878	1.2
91.35498	1.2
92.23325	0.9
97.77603	1.1
99.00861	2.6
101.02435	2.0
113.02442	1.1
119.40789	1.1
131.03502	1.8
139.00323	2.3
149.04506	2.4
153.01929	100.0
154.02699	17.2
166.02649	1.7
167.03584	1.9
168.04271	77.9
169.05032	19.7
178.02715	1.3
181.05048	1.6
193.05049	1.4
196.03827	1.7
199.19987	1.2
211.05968	2.1
235.05913	1.2
237.26129	1.2
245.81793	1.3
250.61288	1.2
283.08243	1.6
331.10297	2.3
361.60544	1.4
371.22809	1.5
405.23853	1.5
463.14523	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	463.1615
Annotation	Diffutin
Peak:m/z	Relative Intensity
55.91483	0.4
56.38653	0.5
57.03448	0.8
57.40762	0.6
59.01379	3.0
71.01377	0.5
85.02923	0.5
99.04517	0.6
101.02429	0.8
109.02934	7.7
121.02067	1.1
121.02945	30.9
122.03748	9.2
123.04482	0.9
132.92137	0.5
135.04524	22.8
147.04523	0.9
149.02478	0.8
164.04764	4.5
168.11122	0.6
179.07149	5.3
271.06128	10.5
286.08459	18.3
301.10834	100.0
380.64191	0.6
399.13406	0.7
463.16220	6.7
463.21948	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89624	0.7
57.03449	19.6
58.38960	0.6
59.01099	1.5
59.01379	27.7
60.99718	0.7
63.58604	0.6
67.74714	0.8
69.69326	0.9
71.01377	21.4
73.02959	3.2
85.02943	4.7
87.00872	0.9
89.02440	19.1
95.01355	1.6
99.00847	1.0
99.04503	1.4
101.02440	20.2
113.02444	16.4
119.03479	9.7
136.67709	0.9
139.07649	45.6
143.03452	1.1
157.08638	3.9
173.02957	0.8
201.41425	0.8
211.45107	0.8
244.69290	0.9
301.12903	9.6
312.27747	0.8
319.14017	100.0
361.15088	24.0
401.18314	1.8
463.18213	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	463.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31832	0.6
59.01375	4.5
61.98845	0.8
78.95905	44.5
96.96956	4.1
97.06661	0.6
110.98536	0.7
127.82053	0.8
152.99588	100.0
167.01143	1.7
171.00665	2.7
171.10268	0.8
183.11249	0.7
209.11780	0.7
209.15468	3.4
237.80174	0.8
277.21762	6.2
295.22781	14.2
311.22128	1.0
329.23196	5.0
463.20447	38.0
488.19824	0.8
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	glas#3
Peak:m/z	Relative Intensity
57.03447	2.2
58.64437	0.9
59.01384	16.0
71.01379	26.4
73.02946	12.6
83.01398	2.1
85.02945	13.4
89.02441	9.8
92.72763	0.9
97.02916	1.0
99.00869	8.9
101.02435	35.8
108.05527	0.9
113.02441	19.3
128.03528	2.0
139.07684	4.7
143.03499	1.2
159.03065	3.3
161.04549	18.0
169.23717	0.9
319.13943	9.4
331.17499	7.9
361.15302	1.5
447.48395	1.0
463.22000	100.0
475.41690	0.9
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
55.75401	1.3
57.03450	92.8
59.01382	90.5
60.23771	1.2
69.34132	1.3
75.41257	1.2
77.25523	1.6
79.51951	1.2
80.56525	1.3
81.03461	3.5
99.04510	100.0
99.05161	3.4
101.02434	23.1
104.20557	1.4
110.48509	1.5
113.02473	1.6
113.34212	1.5
125.02431	36.1
143.03494	2.5
211.10153	1.5
293.11325	1.6
329.23349	1.6
463.21899	11.2
463.29022	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	463.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31501	0.7
57.03450	85.4
59.01382	87.9
61.60816	0.8
61.98814	1.0
65.23587	0.8
71.01376	5.0
73.02927	1.1
81.03468	1.9
85.02955	1.0
89.02419	1.0
91.04008	5.4
99.04510	100.0
101.02441	16.9
113.02394	1.5
125.02439	36.8
143.03490	4.1
161.04532	1.9
211.13416	7.3
229.14478	6.4
277.16537	3.7
301.23981	3.9
311.22198	2.1
317.08221	1.0
319.17682	1.8
329.23383	21.6
385.36029	1.0
401.22498	1.3
403.27014	1.6
463.22043	6.6
463.29227	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	463.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	94.2
57.62263	0.7
59.01380	88.0
59.08226	0.7
61.98826	0.7
71.01002	0.7
71.01372	1.9
81.03457	4.5
84.74525	0.8
85.02946	1.8
99.04510	100.0
101.02436	22.0
113.02461	1.5
125.02438	36.4
126.15101	0.8
143.03526	4.6
161.04593	1.5
172.28242	0.9
277.16516	4.0
319.17538	1.7
329.23340	3.1
394.49734	1.0
403.27084	1.1
463.21802	8.3
463.29068	4.0
486.21805	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2188
Annotation	glas#3
Peak:m/z	Relative Intensity
59.01106	1.1
59.01384	24.3
59.32383	0.5
60.68111	0.5
68.41281	0.6
71.01376	10.7
73.02950	6.4
75.00887	1.1
83.01390	1.0
85.02941	5.5
85.57186	0.7
89.02426	4.3
95.01310	0.7
99.00880	1.0
101.02439	15.1
113.02454	6.8
119.03492	2.6
139.14502	0.6
140.29147	0.8
143.03522	0.9
151.00354	0.7
161.04559	1.5
223.13495	1.5
300.02768	3.7
301.03601	2.3
385.18753	1.0
403.19775	100.0
463.09079	2.9
463.22006	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	463.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67602	0.3
57.03457	0.4
59.01384	9.3
59.80302	0.3
65.66920	0.3
71.01381	4.9
73.02974	0.8
85.02965	0.7
87.00908	0.6
89.02439	4.3
97.71457	0.4
99.04487	0.4
101.02441	5.3
111.08135	0.4
113.02435	3.1
118.92934	0.3
119.03491	1.4
126.43607	0.3
127.42209	0.3
161.04607	2.0
165.12843	8.2
183.13905	100.0
197.93854	0.3
209.11867	0.6
227.12921	3.7
253.09280	4.5
403.32004	0.4
463.21851	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	463.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67602	0.3
57.03457	0.4
59.01384	9.3
59.80302	0.3
65.66920	0.3
71.01381	4.9
73.02974	0.8
85.02965	0.7
87.00908	0.6
89.02439	4.3
97.71457	0.4
99.04487	0.4
101.02441	5.3
111.08135	0.4
113.02435	3.1
118.92934	0.3
119.03491	1.4
126.43607	0.3
127.42209	0.3
161.04607	2.0
165.12843	8.2
183.13905	100.0
197.93854	0.3
209.11867	0.6
227.12921	3.7
253.09280	4.5
403.32004	0.4
463.21851	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	463.2194
Annotation	glas#3
Peak:m/z	Relative Intensity
55.23369	0.7
59.01385	51.5
59.59675	0.6
61.98835	9.0
66.63197	0.6
71.01009	1.3
71.01379	29.5
73.02940	16.1
80.67042	0.7
83.01377	3.7
85.02952	16.5
89.02439	6.4
95.01366	1.7
97.02983	1.2
97.07037	0.7
99.00875	9.1
99.97807	0.8
100.01624	0.7
101.02442	26.4
109.02916	4.4
113.02443	20.3
121.02952	23.6
122.03751	7.5
125.02406	1.8
127.11302	0.8
131.03516	0.9
135.04507	17.0
143.03493	2.7
159.02957	4.0
161.04535	9.1
164.04738	4.2
175.82103	0.7
179.07103	3.1
209.11823	1.7
271.06158	9.6
286.08517	12.1
289.16467	9.4
301.10858	74.0
313.19885	0.8
331.17514	1.2
361.14478	0.8
403.19720	1.0
421.20947	18.0
463.16434	4.9
463.21848	100.0
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	Unknow
Peak:m/z	Relative Intensity
59.01382	96.7
61.98823	4.2
69.52611	0.7
69.85925	0.7
71.01378	37.3
73.02942	28.7
75.48238	0.7
83.01373	4.6
85.02952	7.9
87.00899	1.1
89.02438	56.3
95.01386	1.8
96.96958	0.9
99.00873	80.7
101.02444	30.3
111.50513	0.9
112.01624	1.1
113.02435	29.1
119.03482	15.4
125.02410	4.9
131.03502	10.1
138.96475	0.9
143.03462	2.1
149.04564	15.1
152.99603	1.5
155.03514	1.6
161.04530	5.1
161.60847	0.9
168.91504	0.9
178.83261	1.1
191.05615	22.7
192.42323	1.0
203.05672	9.6
203.45949	0.9
230.91093	1.0
255.02992	1.0
257.03445	1.4
271.51910	1.0
283.02466	7.6
284.02826	10.9
285.03055	16.4
286.03784	4.5
298.04807	4.6
299.05429	11.7
300.05615	17.3
301.06161	13.2
421.20868	15.3
463.11929	26.4
463.21814	100.0
476.84250	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65376	0.8
57.03193	1.7
57.03452	35.5
59.01382	70.5
61.98841	1.4
63.05338	0.9
65.43918	0.9
71.01384	10.8
73.02932	6.1
83.01385	1.4
83.83163	0.9
85.02942	7.5
89.02430	1.6
89.37853	1.1
92.76344	1.0
98.02510	1.1
99.00913	1.2
99.04514	35.2
101.02441	17.1
113.02436	10.2
125.02431	32.9
137.38567	1.0
143.03513	8.1
157.12328	100.0
160.64645	1.0
161.04512	4.2
171.13875	4.9
274.67960	1.1
319.17792	1.4
329.23242	1.2
337.53143	1.2
354.14606	1.3
361.18671	2.1
403.27075	19.5
463.21744	4.4
463.33701	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	463.219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12618	0.7
52.78737	0.7
54.21025	0.8
57.03241	0.9
57.03454	16.1
59.01381	100.0
63.17463	0.8
63.32997	0.9
71.01375	43.8
73.02946	5.0
75.00854	1.6
83.01364	1.7
85.02953	7.5
87.00891	1.4
89.02435	81.7
91.57307	0.9
92.06944	0.9
95.01378	1.6
96.95979	2.1
98.83475	1.0
99.04507	17.7
101.02444	32.0
113.02435	25.0
119.03485	28.9
125.02427	9.4
131.03526	1.4
143.03496	6.0
149.04568	1.9
161.04521	12.0
179.05611	62.8
231.41716	1.1
267.07251	1.3
311.55081	1.0
385.18549	7.2
403.19797	36.9
463.17896	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	463.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	9.4
62.37424	1.2
68.69955	1.4
78.95905	3.3
85.44093	1.5
110.98497	6.9
113.09706	1.6
125.18379	1.4
131.78052	1.4
155.59938	1.4
167.01111	2.6
183.13904	6.5
185.02184	3.8
193.40007	1.4
195.13921	25.4
277.21722	26.2
295.22800	100.0
373.09558	1.6
463.24698	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	463.2473
Annotation	CHEBI:67690
Peak:m/z	Relative Intensity
57.03445	1.2
59.01387	1.1
59.15430	0.9
78.95889	10.1
80.04517	1.2
110.63144	1.1
110.98515	12.5
113.09738	1.7
125.09736	1.3
155.50220	1.1
167.01143	12.2
171.10251	33.8
183.10211	1.7
183.13853	2.1
185.02197	7.7
195.13896	11.3
195.69710	1.2
244.37656	1.2
277.21735	54.8
295.22809	87.5
360.18750	1.4
404.88977	1.3
463.24731	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.9
69.19862	0.9
74.17505	1.0
75.82732	1.0
78.95901	8.6
81.00990	1.1
110.98508	11.4
113.09739	1.9
134.90788	1.2
148.00679	1.0
148.33429	1.1
167.01149	9.6
171.10277	34.2
172.83757	1.1
173.87952	1.2
183.59265	1.1
185.02162	7.0
195.13907	15.1
273.73856	1.2
277.21750	61.6
290.99200	1.7
295.22812	79.0
329.23181	2.1
357.42477	1.0
463.24710	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2474
Annotation	CHEBI:67698
Peak:m/z	Relative Intensity
53.42730	0.8
59.01384	2.0
59.81631	0.7
74.17316	0.7
78.10298	0.8
78.95909	3.6
90.32388	0.8
98.67690	0.9
110.98523	6.0
113.09719	3.5
124.43913	0.8
134.58209	0.9
145.24400	1.0
167.01112	1.7
179.14465	1.4
185.02179	5.5
195.13916	32.1
277.21762	29.3
295.22812	100.0
329.23422	1.4
463.24765	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	463.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13059	1.2
56.35818	1.5
57.03451	100.0
58.28866	1.4
59.01384	81.4
59.01685	2.6
65.27228	1.4
71.01371	9.1
73.02965	1.7
76.93363	1.7
78.95925	4.0
85.02932	2.6
90.07744	1.4
95.43858	1.7
99.03893	3.5
99.04514	82.1
101.02438	28.5
103.92118	1.9
108.63541	1.6
110.69651	1.5
110.98515	7.4
113.02462	6.5
114.46534	1.6
125.02443	36.9
143.03519	2.7
159.55644	1.9
161.04604	3.1
167.01114	9.2
171.10260	18.2
190.31970	1.6
195.13954	2.5
205.51414	2.0
264.57761	1.6
277.21741	31.0
295.22769	24.3
319.21268	7.7
335.85974	1.8
361.22144	6.3
463.24918	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	463.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63134	2.1
57.03455	100.0
58.46209	2.4
59.01383	72.1
61.98842	2.8
71.01373	4.2
71.16306	2.5
85.49351	2.4
95.01348	3.2
99.04516	75.9
101.02451	26.2
113.02459	2.8
118.34448	3.4
122.85471	3.1
125.02447	40.9
178.19714	2.8
192.58946	2.8
277.21915	3.1
319.21420	15.3
361.22238	3.3
376.32886	2.9
426.26801	2.6
462.23871	3.2
463.25287	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	463.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40083	0.5
56.12037	0.4
59.01384	13.9
66.59680	0.4
71.01380	9.8
73.02932	2.1
75.94255	0.5
83.01392	0.9
85.02942	2.3
87.00893	2.1
89.02428	1.2
101.02434	4.1
108.44098	0.5
113.02451	3.5
124.01582	0.7
125.02422	2.6
150.48187	0.6
181.85625	0.6
221.19104	10.0
239.20152	2.2
265.18115	11.4
283.19189	16.5
285.02844	0.6
297.20590	0.6
301.20218	22.3
315.21655	0.6
325.20221	0.7
343.21338	1.2
427.23538	2.2
445.24310	6.1
458.20261	0.5
463.25586	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	463.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	88.8
59.01099	3.6
59.01382	91.1
63.28967	1.9
69.81676	1.7
71.01384	14.0
78.41261	1.9
82.90495	2.1
85.02940	4.6
92.23043	2.3
99.04512	100.0
101.02447	31.4
112.13832	2.0
113.02470	5.1
125.02433	40.2
143.03508	3.7
295.16092	2.2
319.21307	11.7
361.22507	9.1
403.26935	3.5
463.25595	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	463.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89794	1.4
52.48347	1.7
57.03451	96.2
58.26535	1.6
59.01382	88.6
71.01389	10.7
73.02934	2.4
80.08614	1.7
83.01363	2.1
83.67934	2.1
85.02936	4.2
85.12083	1.7
89.15823	1.8
92.23141	2.2
99.04515	100.0
99.05167	3.2
101.02440	37.3
108.42162	2.1
113.02444	8.6
117.95930	1.7
125.02437	46.4
143.03517	4.2
160.48851	2.0
210.78023	1.9
236.62921	2.0
241.99870	1.8
319.21326	14.0
361.22391	8.7
401.25699	3.8
433.73459	1.8
463.25555	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	463.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	93.5
59.01098	4.0
59.01381	81.1
71.01378	9.6
75.60324	2.0
77.81417	2.1
78.95903	4.1
85.02944	2.7
92.23100	2.4
99.04512	100.0
101.02440	26.0
110.98525	4.2
113.02428	4.9
124.21709	1.9
125.02428	35.3
143.03496	4.8
149.60518	2.1
157.17427	2.2
167.01186	8.4
185.02104	2.2
195.13936	13.9
213.61043	2.1
223.83127	1.9
246.32808	2.4
260.19672	2.0
277.21814	11.3
295.22778	29.8
297.90710	2.4
319.21356	8.3
361.22385	4.9
463.24911	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	464.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13121	0.4
59.95086	0.4
61.98830	100.0
70.60606	0.5
92.23209	0.5
102.84467	0.6
180.55492	0.6
181.65277	0.5
196.14719	0.5
209.11865	0.7
250.27370	0.5
258.22577	0.6
321.50897	0.5
464.21817	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	465.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86475	1.3
73.02966	1.3
73.85807	1.3
82.25726	1.5
82.53679	1.3
85.22515	1.3
92.23096	1.7
236.47287	1.4
242.97690	1.5
252.04263	25.8
257.51489	1.9
267.06647	100.0
465.10013	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	465.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.5
59.01382	3.2
71.01382	1.4
73.02925	0.5
78.95910	4.3
79.95733	1.5
85.02930	0.5
86.40398	0.4
89.02451	1.4
96.96006	100.0
96.96919	13.3
99.04545	1.5
101.02453	1.5
106.07341	0.4
113.02492	0.8
122.06170	0.4
125.02439	0.7
127.07660	1.8
137.97621	0.4
142.49492	0.4
143.51097	0.4
168.16023	0.4
178.30518	0.3
285.12573	3.4
303.38138	0.4
367.16159	0.5
465.14270	0.6
465.20190	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	465.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.6
57.03450	42.7
59.01379	100.0
65.52721	2.4
69.59053	2.3
71.01384	26.9
73.02935	3.0
82.86268	2.9
85.02955	6.4
89.02428	32.5
99.04508	67.2
101.02440	31.9
113.02420	16.0
119.03504	12.6
125.02434	25.1
139.11362	3.3
143.03525	2.8
161.04582	3.3
161.13356	6.7
168.52467	2.7
174.30728	2.6
179.05571	5.1
198.45221	2.4
205.12334	17.9
210.61467	2.8
249.11229	26.0
278.04880	3.0
303.21777	13.1
324.84308	2.8
363.20380	4.1
385.18765	3.2
429.17676	70.8
465.27762	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	465.156
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91520	1.0
58.18234	1.0
59.01379	6.4
61.98848	1.3
62.52494	1.0
72.20693	1.2
78.95915	1.2
92.22513	1.5
109.02944	6.8
121.02952	14.6
124.42751	1.6
134.03741	4.9
135.04536	24.4
137.07161	1.2
145.56778	1.5
146.03746	29.3
149.06061	8.0
150.03201	5.1
152.99574	5.1
158.99980	1.3
161.06068	20.8
162.18803	1.3
164.04794	27.8
165.05553	7.9
179.07140	100.0
256.03418	1.4
263.80823	1.2
270.05389	22.9
271.06079	13.9
272.06949	8.5
285.07724	18.1
286.08490	4.8
287.09265	16.8
447.14456	2.5
465.15222	7.4
465.21851	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	465.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	100.0
59.01380	75.0
70.07724	1.6
77.65025	1.4
81.86732	1.8
99.04507	81.3
101.02433	18.2
125.02416	24.6
130.43553	1.6
143.03505	2.4
159.31052	1.6
161.04628	2.1
167.29080	1.7
167.97774	1.6
235.11882	9.0
244.37999	1.7
264.35913	2.1
277.12820	2.1
290.36734	1.7
290.86719	2.0
310.94614	1.8
351.28494	2.0
407.88882	1.7
417.06189	2.0
421.17258	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	465.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	100.0
59.01379	86.4
75.69305	2.1
75.91695	2.1
81.03447	2.5
82.12950	2.5
92.10522	2.4
99.04508	98.1
101.02432	24.2
104.81378	2.3
125.02425	40.0
143.03528	3.2
234.89888	2.8
235.11862	5.0
277.12900	3.7
421.17191	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	465.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	15.5
59.01381	6.3
65.68800	0.4
71.01375	6.6
73.02937	0.8
83.01385	0.6
85.02952	2.1
87.00859	0.6
89.02451	0.7
99.04511	2.9
101.02444	7.3
111.00832	0.5
113.02468	2.7
119.03503	0.6
125.02480	2.7
129.46193	0.4
141.09190	0.5
154.10155	0.4
155.10771	0.4
159.10275	23.4
201.11322	0.8
218.12556	0.4
221.87819	0.4
234.47182	0.4
248.42871	0.4
303.11887	0.3
303.14539	18.7
321.15582	100.0
363.16629	15.1
403.19839	0.6
465.19885	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	465.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41485	1.0
57.03449	95.3
59.01380	84.9
65.12254	1.0
71.01360	3.1
73.02927	2.7
77.18647	1.2
82.58714	1.1
83.01362	1.5
85.02944	2.6
98.34715	1.2
99.04510	100.0
99.56603	1.2
101.02443	22.2
113.02443	6.8
125.02430	40.9
143.03488	6.6
158.49796	1.3
161.04601	2.5
165.21663	1.2
173.04059	1.3
241.28653	1.5
257.17636	1.7
263.69553	1.4
279.14767	1.3
303.21756	2.4
321.15387	2.2
321.19162	6.3
363.16238	1.5
363.20352	6.3
376.32196	1.6
429.17572	1.9
465.22916	7.4
465.27374	6.3
480.30588	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	465.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29540	0.5
58.02967	0.9
58.51251	0.6
59.01376	3.5
59.05737	0.6
64.45981	0.7
72.00898	3.4
91.05531	8.8
96.23882	0.7
105.94196	0.7
109.06573	3.0
111.95981	0.6
114.88470	0.7
116.05047	4.6
117.03439	0.9
118.06615	6.6
138.09244	1.2
147.04523	26.6
149.42877	0.9
159.89609	0.7
164.07178	92.5
170.89064	0.7
181.90909	0.8
212.14484	10.6
238.85306	0.8
256.13409	7.4
300.12497	6.6
376.55667	0.7
460.09717	0.7
465.20358	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29540	0.5
58.02967	0.9
58.51251	0.6
59.01376	3.5
59.05737	0.6
64.45981	0.7
72.00898	3.4
91.05531	8.8
96.23882	0.7
105.94196	0.7
109.06573	3.0
111.95981	0.6
114.88470	0.7
116.05047	4.6
117.03439	0.9
118.06615	6.6
138.09244	1.2
147.04523	26.6
149.42877	0.9
159.89609	0.7
164.07178	92.5
170.89064	0.7
181.90909	0.8
212.14484	10.6
238.85306	0.8
256.13409	7.4
300.12497	6.6
376.55667	0.7
460.09717	0.7
465.20358	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.228
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00450	0.8
59.01381	5.0
79.95731	25.4
80.10582	0.9
80.96540	6.8
80.96941	0.9
96.96003	15.8
99.04476	1.4
104.20766	0.9
125.09708	4.9
128.64249	1.1
153.12872	2.3
153.81694	1.0
186.11363	39.2
196.13397	2.0
197.11836	7.2
214.14514	64.0
215.12852	1.7
250.07555	100.0
278.10703	81.0
294.10168	1.6
331.31619	1.1
465.23102	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	465.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.3
57.03440	3.9
59.01379	100.0
61.98824	7.5
69.03387	0.7
71.01376	30.6
73.02934	12.6
83.01379	6.5
83.68844	0.8
85.02940	17.1
87.00864	3.8
89.02427	4.1
92.22560	1.3
95.01369	3.8
97.02982	1.1
99.00863	4.3
99.04503	1.0
101.02429	31.2
111.00882	2.1
113.02441	16.8
121.53184	0.9
125.02367	1.9
131.03461	7.4
132.26112	1.1
143.03448	2.0
159.02977	2.0
161.04517	7.4
244.67572	1.0
253.73619	1.1
261.17010	15.5
261.27078	1.0
303.18320	3.3
378.31064	1.1
405.21283	17.9
423.16656	1.3
423.22388	39.0
465.23441	16.6
465.29572	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	465.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
57.03443	6.1
59.01381	100.0
61.98846	7.2
64.10112	0.9
69.03457	1.3
70.17170	1.1
71.01376	55.1
73.02938	26.9
75.00850	1.0
77.68295	0.9
79.01643	0.8
83.01373	12.2
85.02943	29.5
87.00862	1.9
89.02434	9.3
95.01377	4.5
97.02956	4.5
99.00861	9.2
99.04535	4.1
101.02435	41.2
110.78373	1.0
111.00886	7.5
113.02435	21.2
125.02425	6.6
131.03500	4.0
143.03493	2.3
159.02988	1.5
161.04538	9.1
162.88777	1.0
169.57237	1.0
179.05820	1.3
179.07520	1.2
203.05678	2.6
261.17068	7.9
291.18143	2.2
303.18097	4.7
398.72229	1.2
405.21271	24.8
405.26154	1.7
423.22403	66.1
465.23465	62.2
465.30258	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	465.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.4
59.01100	4.7
59.01382	99.0
71.01385	31.5
73.02941	20.8
80.37643	2.3
83.01386	5.4
85.02948	25.8
87.00840	4.2
89.02454	4.7
95.01411	3.0
97.02929	4.5
99.00864	4.7
101.02435	47.5
111.00842	3.5
113.02431	37.5
125.02382	2.8
140.63385	2.4
161.04556	13.0
244.33676	2.6
291.18134	20.6
405.21347	97.8
423.22391	100.0
444.20676	2.9
465.23422	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	465.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.0
59.01382	100.0
64.31500	0.6
71.01383	10.6
72.71968	0.7
72.93665	0.6
78.92136	0.7
84.12811	0.8
85.02964	0.7
89.02433	14.2
96.95989	1.2
99.00869	0.7
101.02407	7.5
113.02444	6.6
119.03506	5.8
143.03571	0.8
149.63701	0.6
161.04532	1.5
179.05611	5.9
187.33047	0.7
321.04080	1.7
361.82578	0.8
377.89771	0.6
394.08078	0.7
405.21320	28.7
465.23859	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	465.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	95.7
58.97284	0.9
59.01382	68.3
71.01374	7.8
71.94173	1.1
73.02932	3.0
73.12621	1.1
75.55296	1.3
81.03458	2.1
83.01376	1.6
85.02936	2.3
89.02463	2.9
90.76678	1.3
99.04510	100.0
101.02437	27.7
113.02438	5.3
125.02435	39.3
143.03523	6.2
161.04672	1.3
258.06973	1.2
291.53708	1.4
309.98843	1.4
321.19171	10.6
363.20306	22.5
429.17490	5.5
465.23318	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	465.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	7.9
59.01382	100.0
59.99012	0.8
71.01378	22.7
73.02949	1.1
75.41241	0.9
85.02942	3.8
89.02439	41.9
89.02958	2.0
95.01386	1.5
96.96013	9.7
99.04515	5.3
101.02441	17.7
106.78933	1.1
109.06592	1.4
113.02451	13.9
115.00324	1.2
116.92850	1.5
119.03489	18.7
124.81572	1.2
125.02393	1.6
127.07648	4.8
137.09705	1.3
143.03514	2.3
146.64171	1.0
149.04576	1.5
149.09721	19.7
156.80838	1.0
161.04529	3.9
167.10771	38.2
176.33289	1.0
178.17737	1.0
179.05582	12.7
225.14922	4.4
348.11642	1.3
402.97379	1.0
405.21359	89.1
425.92639	1.0
465.15683	11.2
465.24066	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	465.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	87.1
59.01381	76.3
62.75994	1.2
67.65390	1.3
71.01387	8.0
73.02930	2.5
85.02949	5.9
87.13418	1.3
88.55668	1.1
93.68262	1.3
99.00869	1.5
99.04512	100.0
101.02429	32.8
105.36189	1.4
113.02440	8.1
125.02428	44.2
129.01955	2.2
143.03516	2.8
161.04585	2.0
181.05104	9.5
303.21860	2.2
321.19183	15.3
339.42178	1.4
363.20279	29.6
403.23279	1.7
447.26639	1.8
465.22861	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	465.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30699	0.9
59.01381	71.8
59.86259	0.7
60.89688	0.8
63.03190	0.8
71.01373	21.1
73.02930	1.4
83.01396	1.1
85.02942	4.8
87.00888	0.9
89.02438	40.0
95.01382	1.1
99.00859	1.3
101.02441	21.2
113.02443	14.1
119.03494	14.4
131.03487	1.2
149.04565	4.2
149.09750	1.5
161.04585	2.2
167.10751	2.2
179.05591	1.8
199.82129	0.9
243.15977	1.4
405.21326	100.0
465.17059	1.6
465.23422	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	465.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37812	2.3
55.83358	1.9
55.87760	1.9
57.03449	86.2
59.01379	90.3
62.15654	2.0
71.01372	14.9
71.95714	2.2
73.02941	13.5
83.01378	2.6
84.94228	2.2
85.02950	5.3
88.57967	2.0
89.02468	4.0
99.04510	100.0
101.02430	37.1
113.02438	11.6
113.04721	2.4
122.01270	2.4
125.02426	45.9
139.16057	2.2
143.03525	5.1
161.04536	3.0
191.89496	2.7
253.28618	2.5
303.21683	3.7
321.19250	13.6
363.20471	29.6
403.23181	3.5
421.24374	4.4
423.18567	4.9
447.26022	3.2
465.22763	39.3
468.33017	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	466.266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02682	0.5
50.51546	0.4
52.17231	0.5
53.47926	0.4
61.98832	100.0
88.48783	0.5
95.30983	0.5
98.26026	0.6
103.23613	0.5
189.07448	0.5
202.14020	0.6
399.21338	0.6
420.54321	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76263	0.6
56.62280	0.6
58.31220	0.7
63.99050	0.8
70.02975	8.4
71.05013	4.8
73.97054	1.2
87.05630	5.2
92.47423	0.9
99.04491	1.0
106.10852	0.8
106.33286	0.7
114.01909	1.1
116.07125	0.8
117.01270	18.8
117.38447	0.9
125.37352	0.8
130.03314	14.0
143.83905	0.8
146.08232	100.0
147.05931	5.8
183.18239	0.9
189.03349	4.7
208.66725	1.0
217.09953	1.3
217.11949	26.9
228.48106	0.9
277.09363	1.7
277.12274	40.1
277.15286	1.3
321.98584	0.8
467.16397	69.2
491.50214	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56703	1.6
57.03451	12.6
57.33809	1.3
58.22375	1.4
59.01384	21.7
65.06901	1.6
71.01382	3.6
75.28408	1.6
76.16543	1.5
78.36509	1.3
82.49245	1.3
83.07706	1.5
89.02439	3.8
99.04507	18.0
101.02432	7.4
125.02425	3.5
160.06430	2.8
161.04570	7.2
161.07173	10.8
175.08757	13.6
180.57314	1.5
187.08748	3.8
189.06702	86.6
201.10396	5.9
203.08302	30.5
203.11913	12.4
229.09865	25.1
277.11978	1.6
305.11517	28.1
323.12518	100.0
365.13614	9.5
405.16354	1.7
467.16287	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	467.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	32.0
57.51237	1.2
59.01377	25.2
71.01380	5.7
78.39457	1.2
82.32170	1.1
89.02452	5.2
92.23098	2.3
99.04517	19.7
101.02442	9.0
125.02433	7.1
129.66431	1.5
145.07748	1.3
161.04572	9.7
161.07182	15.3
175.08771	13.4
187.08835	3.1
189.06703	93.6
201.10350	4.9
203.08286	44.9
203.11873	14.6
229.09810	28.1
229.72137	1.3
265.20773	1.2
277.11978	7.6
305.11459	46.4
323.12482	100.0
365.13580	20.2
405.16599	2.7
467.16678	29.6
480.31317	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	467.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94472	0.9
51.65879	0.9
53.23322	0.9
55.01863	6.3
57.03436	5.0
59.01112	2.0
59.01383	41.4
61.98833	4.1
66.83606	1.1
71.01009	1.7
71.01375	26.0
72.99269	1.1
73.02946	1.5
75.00854	7.4
85.02927	7.2
89.02433	34.8
92.22486	1.6
96.95996	2.0
99.04501	5.8
101.02441	27.1
113.02435	13.1
115.92052	1.2
116.92810	1.4
119.03477	12.9
121.35098	1.2
125.02414	1.1
127.07581	1.9
129.01874	4.5
139.07648	24.9
147.02960	5.4
157.08734	2.0
165.04074	2.3
192.15462	1.1
305.16248	2.1
319.14029	37.0
407.21841	2.1
431.15564	1.8
467.17563	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.1
59.01107	2.1
59.01382	46.2
59.31171	1.4
59.77096	1.7
64.81264	1.6
71.01382	16.7
73.02939	14.6
83.01379	2.6
85.02943	8.8
89.02422	2.3
99.00849	3.2
101.02435	26.7
107.65757	2.0
113.02419	12.6
124.16312	1.9
159.02980	3.0
161.04541	12.1
189.06702	7.4
203.08313	1.9
234.79260	1.7
249.13416	26.5
284.25458	1.9
305.11575	2.6
323.12442	2.9
381.17706	11.5
423.18774	100.0
453.65710	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	467.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02617	1.0
55.01873	1.5
57.99340	1.4
58.91095	0.9
59.01405	1.1
59.24364	1.0
61.98816	7.6
67.70616	1.1
71.05009	1.4
72.00908	2.7
74.96086	1.2
75.27213	1.1
80.17242	1.2
80.19289	1.1
98.02470	7.3
99.00888	18.6
100.04101	1.4
115.05152	1.3
116.03523	2.3
118.05100	37.9
133.06192	17.1
137.10800	1.2
152.99606	2.8
159.04112	57.2
174.01720	5.5
245.18895	1.3
287.16525	1.3
289.18164	21.9
294.01788	1.4
307.19101	1.7
322.20355	2.6
366.19196	8.8
366.23502	3.6
370.28268	1.2
382.06165	1.4
423.24997	13.5
467.23935	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	467.242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.2
59.68338	1.0
64.11054	1.1
69.08629	1.2
71.40134	1.3
78.95914	3.0
108.06736	1.4
115.92084	2.9
128.49738	1.6
152.99615	16.8
161.18063	1.4
171.00627	1.7
192.64452	1.3
196.93690	1.4
239.20187	100.0
467.24149	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	467.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31970	1.8
61.98830	30.3
72.00919	2.5
75.16056	1.5
77.54389	1.7
88.04052	1.7
95.05039	1.7
97.01601	2.0
98.02496	10.3
98.06652	1.7
99.00867	41.6
100.04031	2.7
116.03535	18.8
116.14799	1.9
118.05107	47.2
133.06210	2.0
134.07278	2.5
144.03069	2.5
147.81058	1.8
159.04141	9.1
174.01743	11.8
194.11844	1.9
195.11404	2.7
196.13437	1.9
204.15182	2.7
229.19418	1.9
230.13135	3.3
232.14597	3.9
233.13145	2.9
235.14627	3.3
241.04085	2.1
242.51537	2.3
248.14377	2.7
250.15781	3.7
266.15298	3.3
266.78137	2.1
278.15237	2.6
322.61182	1.9
331.22577	2.0
333.22064	3.0
350.24585	18.9
366.23923	34.6
391.65088	1.9
467.23642	18.2
467.29126	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13506	2.9
59.01379	46.0
82.89107	2.9
85.76194	2.8
123.92714	3.3
135.38908	3.2
177.59570	3.6
195.13936	37.4
211.13414	23.4
247.11591	3.2
407.27832	4.9
467.23761	6.5
467.30087	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23179	0.6
51.75563	0.7
54.54717	0.6
59.01383	100.0
61.08035	0.7
61.67807	0.6
66.27891	0.6
78.95885	1.2
93.72073	0.7
100.34521	0.7
113.07770	0.7
152.99580	9.9
228.84857	0.8
239.20175	18.8
266.36633	0.7
289.20041	1.2
307.21024	1.7
315.93704	0.9
361.32373	4.0
389.31952	1.7
390.30237	0.8
407.32822	41.3
467.23761	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	468.173
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87374	1.8
57.03450	34.1
59.01381	31.9
61.98832	100.0
71.01385	8.1
73.02942	3.9
80.53089	2.3
81.25400	1.9
85.44968	2.7
89.02425	3.8
99.04523	28.7
101.02445	11.2
113.02408	3.7
125.02415	10.6
140.63506	2.2
142.42993	1.8
159.26350	2.1
161.04520	3.2
194.11931	2.8
201.55887	2.1
303.14621	3.3
400.77374	2.7
405.17725	41.1
408.26959	2.4
468.17078	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	469.112
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.0
64.35941	2.9
67.35027	3.3
69.54144	2.6
71.01378	15.2
73.02938	4.4
75.08720	3.0
85.02949	5.8
91.13662	3.1
92.62296	3.5
95.01437	3.9
96.00906	3.5
96.95989	8.2
99.00837	4.6
101.02395	6.6
109.32468	3.3
112.10891	3.5
113.02455	17.0
118.05068	4.9
131.04620	5.0
134.03755	4.1
136.16823	3.5
137.02463	26.2
139.04007	31.6
149.06039	20.4
161.04610	5.1
175.03937	5.5
238.71815	3.8
269.21722	3.7
431.11823	17.2
433.13586	100.0
469.10330	5.3
469.14954	18.8
469.21570	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	469.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54692	1.2
59.01104	1.8
59.01380	28.4
64.03079	1.3
71.01373	21.3
72.02277	1.2
73.02944	10.3
75.66302	1.1
83.01379	2.4
85.02943	11.7
87.00860	1.7
89.02447	10.9
92.22517	2.5
92.78094	1.5
97.23913	1.2
99.00901	2.8
101.02436	30.9
113.02440	16.3
131.03545	1.6
131.07111	1.7
133.02950	1.4
134.03741	7.0
141.16574	1.4
152.99567	2.1
159.02992	2.3
160.01649	39.0
161.02477	25.8
161.04498	8.7
175.04001	100.0
189.31615	1.3
193.05014	6.9
271.87109	1.3
277.16513	11.8
293.12506	10.9
307.63229	1.5
409.20871	68.5
469.17169	82.5
470.58603	1.5
474.66699	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	469.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60223	1.3
57.03450	79.9
59.01101	3.6
59.01382	79.4
71.01357	9.7
73.02934	9.6
74.17014	1.4
76.61856	1.8
81.03477	2.6
83.01370	1.8
85.02926	2.0
89.02407	2.2
99.04514	100.0
101.02438	26.0
111.66034	1.7
113.02430	8.7
117.04810	1.7
125.02421	41.9
143.03525	4.1
160.01620	4.2
161.04544	3.4
175.04051	6.2
212.07498	1.8
317.22205	1.8
326.22525	2.0
371.29010	2.0
409.20963	12.9
469.16959	13.1
469.26157	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	469.172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39599	0.6
54.31723	0.4
59.01380	4.6
60.02004	0.4
71.01376	4.7
72.51331	0.5
73.02930	0.8
77.67387	0.6
85.02955	1.4
89.02432	2.9
90.03041	0.6
101.02458	4.7
113.02444	2.5
119.03504	1.2
135.04475	0.7
149.02451	5.3
163.03987	1.3
164.04787	14.0
169.05049	0.7
175.00348	6.8
179.07158	0.9
190.00223	0.8
190.02734	76.1
205.05077	84.0
208.03773	2.2
209.04539	2.7
223.06126	8.4
409.20761	0.8
421.71445	0.6
439.12329	2.4
469.17194	100.0
486.80222	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.5
59.01379	6.8
62.93523	0.4
68.67793	0.4
71.01373	6.1
73.02943	3.9
79.74254	0.4
83.01382	0.7
85.02953	1.8
89.02464	2.4
99.00861	3.8
99.04513	0.5
101.02436	4.7
101.61196	0.5
113.02441	5.6
125.02402	0.6
133.06592	100.0
159.03044	0.6
161.04524	3.6
173.60489	0.5
189.02022	0.5
203.05655	0.5
279.19098	0.5
294.17273	1.1
337.12930	3.2
409.20724	0.7
427.16058	8.0
469.17114	35.2
469.27234	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32748	0.2
59.01384	1.7
59.23351	0.2
60.27079	0.2
61.98832	0.2
70.70285	0.3
71.01392	1.8
72.00909	5.4
73.02939	0.5
74.02469	7.2
89.02447	4.2
96.95983	0.3
98.78489	0.2
98.85198	0.3
99.00897	0.6
101.02424	1.4
105.02728	0.2
113.02396	0.3
116.05052	22.3
129.05829	0.4
131.03500	0.4
132.08170	0.3
142.06621	6.5
142.35349	0.3
149.04572	1.7
157.07704	0.2
159.09267	9.7
164.03557	0.4
183.04626	0.2
186.05623	1.6
188.41484	0.2
191.05684	0.4
203.08276	100.0
250.09138	0.3
409.17062	3.6
469.13040	1.4
469.22290	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.8
57.03445	0.7
58.85180	0.4
59.01386	10.3
59.08492	0.4
63.37352	0.5
71.01381	19.5
73.02943	14.8
73.79533	0.5
83.01375	4.0
85.02943	10.0
87.00899	0.6
89.02448	6.9
95.01402	0.6
97.02929	1.2
99.00874	6.4
101.02441	31.4
113.02444	13.7
115.04066	0.6
125.02440	1.3
130.78191	0.6
131.03502	1.0
137.67639	0.6
159.02975	3.6
161.04558	9.8
179.29549	0.5
192.99141	0.7
291.18176	15.0
293.19357	0.5
423.22427	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	3.8
58.84205	0.4
59.01104	1.1
59.01383	18.8
59.95669	0.4
61.98846	0.5
66.74662	0.5
69.03431	0.5
71.01006	0.9
71.01375	19.6
73.02936	14.0
75.00863	0.4
83.01377	3.1
84.77639	0.4
85.02947	10.6
87.00862	0.6
89.02444	6.9
95.01371	1.0
97.02921	0.6
99.00861	3.7
99.04518	6.0
101.01772	1.0
101.02440	30.7
113.02441	13.7
115.03986	0.7
119.03498	1.0
125.02476	3.4
129.01923	0.5
131.03522	2.0
143.03519	1.9
159.03035	3.3
161.04558	9.1
164.04797	0.5
190.02721	2.6
205.04977	4.7
208.45682	0.5
277.16586	15.7
284.00455	0.5
357.46225	0.5
409.20844	100.0
426.95349	0.5
469.17456	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	469.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.0
57.03458	0.7
57.41681	0.5
59.01379	12.3
65.54237	0.6
71.01373	22.5
73.02937	12.2
83.01384	3.3
84.66524	0.6
85.02946	10.0
87.00849	1.1
89.02443	6.1
95.01378	1.0
99.00864	5.0
101.02435	31.2
113.02444	11.6
125.02458	1.1
143.03494	0.7
159.02948	1.6
160.01645	0.8
161.02477	0.9
161.04552	10.4
175.03998	3.9
181.24268	0.8
188.89673	0.6
225.12289	0.7
277.16580	15.5
328.54190	0.8
350.94397	0.7
409.20831	100.0
469.17325	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	469.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33669	2.8
55.98944	2.3
56.52651	2.2
57.61854	3.1
68.71153	2.4
72.99332	4.8
78.30643	2.4
92.22433	5.2
99.00877	7.1
111.00852	4.1
113.99567	49.0
156.00644	45.4
174.00267	5.6
174.01698	100.0
223.13400	6.3
247.13470	3.1
251.12895	5.4
275.23865	3.3
333.20895	5.8
337.23761	3.4
351.21738	4.5
369.22720	39.1
372.46677	3.1
389.23483	3.8
409.22308	61.5
413.25156	3.4
446.89386	3.6
451.23489	14.3
469.24432	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	469.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
80.51125	0.5
121.15668	0.5
122.82462	0.6
137.65338	0.6
260.39209	0.6
269.97333	0.7
271.96133	0.6
303.85355	0.6
303.97794	0.6
357.37131	0.6
367.30029	2.0
379.30371	0.9
423.27148	1.2
423.32712	17.8
423.38464	0.8
425.30612	5.6
451.32538	0.9
469.33350	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30703	0.3
54.02000	0.3
54.40046	0.3
54.52765	0.3
62.98781	0.4
65.22582	0.3
75.89250	0.3
96.66062	0.4
109.06549	0.7
124.58393	0.5
243.59889	0.4
388.00842	0.4
423.32721	21.9
451.32529	1.0
469.33264	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	470.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11670	1.4
57.03455	80.2
59.01102	2.5
59.01387	67.1
61.98515	3.3
61.98835	100.0
71.01393	2.7
73.02940	1.6
85.02959	2.3
86.18056	1.6
87.63167	1.5
93.11712	1.5
99.04524	82.0
101.02435	24.8
106.89126	1.5
116.68233	1.8
125.02448	29.5
143.03488	3.3
161.04488	2.3
164.73587	1.8
170.90768	1.8
200.26184	1.7
263.15005	17.7
305.16132	19.5
345.19452	6.2
407.19290	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	470.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60596	3.3
51.54350	2.2
52.06877	2.5
57.52967	2.3
61.98516	5.2
61.98830	100.0
66.46291	3.0
91.44164	3.0
163.88255	2.8
207.08847	3.0
223.05730	3.2
265.58566	3.4
342.34961	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	471.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89982	0.5
59.01381	0.9
71.05022	1.3
83.01378	0.6
84.92055	0.5
94.59071	0.5
97.02934	2.5
139.04007	100.0
140.20436	0.6
153.05556	3.5
163.04013	11.8
165.01918	3.3
178.99843	0.7
181.05045	10.1
202.08546	0.6
205.05034	1.4
222.01683	1.2
223.06131	13.1
247.06108	2.8
250.06648	0.6
265.07224	1.0
300.24176	0.6
343.10532	1.0
385.07553	1.1
388.37793	0.7
427.12503	35.8
471.29568	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23975	0.6
59.01382	1.2
61.96021	0.6
118.05108	0.9
132.02171	1.2
175.08307	1.4
195.04498	1.3
215.08914	0.8
223.03979	1.2
251.03412	1.0
252.04303	61.8
267.06647	100.0
296.18744	0.9
306.70755	0.9
328.68091	0.8
403.92636	0.8
471.23300	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	471.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12618	0.8
50.90231	0.9
51.04217	0.8
55.74602	0.8
59.01381	88.3
60.59433	1.0
63.89233	1.0
68.81912	0.9
71.01376	19.7
72.75961	0.9
73.02940	23.8
74.14526	0.8
75.69125	1.0
83.01376	2.2
85.02941	4.5
89.02438	7.5
95.01408	1.2
97.02949	2.1
101.02439	15.7
113.02434	10.9
119.03468	1.6
121.25801	1.1
125.06076	1.6
132.10007	1.1
136.05348	1.1
138.06873	9.3
139.07635	5.0
149.73413	1.1
151.07640	11.2
152.08409	30.1
153.09201	100.0
161.04514	2.5
163.03925	1.4
165.09213	1.8
191.07089	1.5
203.05608	1.7
205.12334	33.1
217.04555	1.3
223.13397	23.7
277.73169	1.3
303.01120	1.2
336.49561	1.1
367.17609	26.2
385.18610	7.4
427.19730	43.7
471.14932	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	471.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12618	0.8
50.90231	0.9
51.04217	0.8
55.74602	0.8
59.01381	88.3
60.59433	1.0
63.89233	1.0
68.81912	0.9
71.01376	19.7
72.75961	0.9
73.02940	23.8
74.14526	0.8
75.69125	1.0
83.01376	2.2
85.02941	4.5
89.02438	7.5
95.01408	1.2
97.02949	2.1
101.02439	15.7
113.02434	10.9
119.03468	1.6
121.25801	1.1
125.06076	1.6
132.10007	1.1
136.05348	1.1
138.06873	9.3
139.07635	5.0
149.73413	1.1
151.07640	11.2
152.08409	30.1
153.09201	100.0
161.04514	2.5
163.03925	1.4
165.09213	1.8
191.07089	1.5
203.05608	1.7
205.12334	33.1
217.04555	1.3
223.13397	23.7
277.73169	1.3
303.01120	1.2
336.49561	1.1
367.17609	26.2
385.18610	7.4
427.19730	43.7
471.14932	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	471.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02968	1.2
59.01389	6.1
67.04383	0.7
70.02971	3.9
71.01374	1.1
72.00930	1.0
74.02470	33.3
77.02819	0.7
82.65436	0.9
89.02406	1.1
91.34906	0.7
96.00895	3.7
100.00362	3.5
109.06571	3.9
110.91430	0.8
113.03546	8.8
114.01942	8.3
116.05050	13.0
122.09789	6.9
131.04610	14.9
135.04533	1.7
142.06606	2.1
152.07140	3.1
159.09235	4.9
166.08722	15.1
199.96423	0.8
203.08273	57.4
210.07695	6.6
227.10423	10.8
233.01419	0.9
269.16476	2.0
295.14716	1.1
298.13965	0.8
312.16940	1.1
339.13519	1.8
339.64658	0.9
356.16171	23.4
435.22601	5.8
451.06964	1.0
453.17844	9.2
454.16180	10.8
471.18860	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02985	1.7
61.20270	1.1
68.17869	1.1
70.02982	1.9
74.02465	22.0
96.00907	8.9
96.04570	1.1
96.96005	1.3
100.00375	1.3
109.06591	2.1
113.03556	10.7
114.01939	14.0
116.05025	10.8
116.07153	8.7
119.86845	1.1
122.09752	1.5
127.05079	1.4
128.03532	37.2
130.05077	2.7
131.04611	26.0
142.06613	1.3
145.94446	1.3
151.08708	2.2
152.07179	1.8
159.09248	6.2
166.08748	13.8
169.09828	1.8
183.11363	18.0
186.05597	1.2
203.08273	72.7
203.10188	2.5
208.47990	1.2
210.07785	2.8
227.10387	20.0
269.16608	1.5
281.00903	1.4
295.14575	1.6
312.17227	1.5
339.13498	2.4
356.16159	14.7
453.17807	8.0
454.16440	5.6
471.18817	100.0
471.24704	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	471.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45081	0.7
51.65671	0.7
58.02975	1.4
61.22016	0.8
61.98831	1.4
70.02975	3.9
72.00905	2.0
74.02464	14.4
96.00909	11.9
109.06578	4.7
111.02013	1.5
113.03559	8.3
114.01960	10.2
116.05072	11.5
116.07152	4.2
116.64018	0.9
118.05151	1.5
125.36452	0.8
128.03543	18.3
130.08704	1.5
131.04625	14.6
138.22522	0.8
139.01570	0.8
142.06639	3.5
146.07704	0.8
151.08827	1.5
152.07143	3.3
159.09268	8.9
166.08699	4.3
169.09827	5.7
183.11394	8.2
186.05469	1.1
203.08281	100.0
210.07829	0.9
223.10986	1.2
227.10365	11.0
234.49677	1.1
277.88177	0.8
338.17184	1.8
343.20932	0.9
356.16196	16.1
453.17947	7.9
454.16248	6.6
471.18857	96.5
471.24728	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	471.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54860	2.0
57.03452	49.2
58.34661	2.0
59.01382	100.0
64.55772	1.9
64.56128	1.9
68.20651	1.9
71.01385	11.9
84.40799	2.1
85.02940	2.6
89.02454	3.8
92.23094	3.1
95.68508	2.1
99.03964	3.5
99.04527	40.7
101.02419	25.7
108.73625	2.0
113.02525	7.7
125.02431	13.0
139.37033	2.4
161.04543	4.0
197.11775	2.3
200.12900	5.2
238.12297	2.5
291.18057	4.7
293.76514	2.6
333.19281	9.8
411.23917	10.5
435.22354	58.2
471.05212	3.7
471.26208	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	471.2
Annotation	Deoxylimonate
Peak:m/z	Relative Intensity
56.72130	5.1
57.03453	96.7
59.01384	89.0
59.81989	4.6
73.10201	5.0
99.04507	91.4
101.02422	30.8
113.02467	7.4
125.02428	31.1
137.33940	6.2
161.73888	5.2
181.53168	5.3
263.38956	5.1
291.17911	9.4
333.19135	29.2
435.22363	100.0
450.45877	6.1
465.87988	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	471.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.2
57.55915	0.8
59.01383	100.0
71.01392	3.9
73.02933	1.5
95.41441	0.9
99.04508	1.7
101.02435	1.8
113.02408	1.5
125.78060	0.9
141.79410	0.9
203.05573	1.4
207.13902	6.1
471.21637	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	471.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58555	1.5
58.02980	2.7
63.16691	1.2
70.02969	1.9
74.02473	6.8
82.02958	2.5
88.04037	2.4
89.90282	1.2
92.23120	1.6
96.00923	2.6
109.06580	1.7
112.04044	1.5
113.03585	6.0
114.01929	3.2
116.05117	1.8
116.07173	28.3
128.02585	3.4
128.03535	98.5
129.06647	5.4
130.05067	9.0
130.08687	1.8
131.04643	10.8
131.91168	1.5
142.06531	1.7
157.13435	3.0
166.08704	13.3
180.10352	2.7
183.11407	37.9
203.08333	23.9
223.10890	1.5
227.10371	36.6
238.26706	1.5
243.13474	2.6
270.21954	1.9
356.16025	6.3
453.17868	2.5
471.18762	33.9
471.24661	100.0
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
52.11998	0.8
57.52311	0.7
62.38442	1.0
70.50671	0.9
76.50185	0.9
104.19444	0.8
106.90991	0.8
107.05007	2.0
137.16183	0.8
183.16162	0.9
277.21725	100.0
286.43170	1.4
471.30960	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	471.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03438	8.6
107.05042	2.3
109.06578	96.3
123.71716	2.0
178.99382	1.9
242.56738	1.9
303.95541	1.9
313.06360	1.8
315.26978	4.0
353.28577	2.3
355.30106	83.9
357.27866	2.2
383.33249	33.8
395.33295	3.4
409.31149	29.4
425.34286	2.6
427.32205	65.9
441.33704	17.3
471.31033	100.0
471.35291	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	471.312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78870	2.2
66.77971	2.1
96.34972	2.2
158.00790	2.9
255.13982	4.4
262.44815	2.7
273.14896	12.6
367.30167	5.0
409.31168	47.8
427.32208	100.0
471.30704	93.5
480.20435	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	471.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.9
71.37760	0.8
74.25549	0.8
74.98839	0.8
75.67036	0.7
97.06586	6.8
103.41567	0.9
104.16949	0.7
123.08141	2.1
125.09717	100.0
143.10738	0.9
155.99442	0.9
169.08752	4.0
187.09760	37.0
227.20184	83.7
243.12418	12.6
261.13458	10.9
271.12012	0.8
272.95367	0.8
339.69537	1.0
348.08774	1.1
410.66187	0.9
471.33380	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	471.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54107	2.6
66.19239	3.1
83.17242	3.2
86.67508	3.1
90.08679	3.1
90.25153	3.2
97.06587	7.1
125.09709	91.7
127.26937	2.9
131.30547	3.1
131.65572	4.6
133.87671	2.9
153.43277	3.2
155.72343	3.6
187.09763	46.6
227.20204	65.3
243.12373	4.4
261.13361	6.8
329.52780	3.3
425.34201	3.6
427.32364	5.1
427.96353	3.6
471.34387	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	471.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
60.81535	0.4
69.03452	0.6
71.45237	0.5
83.05013	0.8
92.08343	0.5
92.11204	0.5
95.05017	12.8
97.06581	100.0
104.42902	0.5
115.07651	5.1
137.30783	0.5
141.05554	6.7
159.06625	30.5
215.09258	12.9
222.57268	0.5
233.10286	9.7
247.52490	0.6
255.23308	69.1
349.30655	0.6
450.15634	0.7
471.33322	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	471.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
68.02478	0.3
79.25949	0.4
97.29592	0.4
107.80564	0.4
113.10884	0.4
134.49307	0.4
164.01987	0.4
202.00111	0.4
207.06799	0.5
293.21347	0.9
407.33368	2.4
425.34198	5.5
430.81320	0.5
453.34079	0.9
455.10065	0.5
471.34854	100.0
484.33667	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.2
59.57297	0.3
61.15112	0.3
64.72729	0.3
71.21120	0.3
71.27619	0.3
76.41705	0.3
90.10172	0.3
96.48963	0.3
114.47932	0.3
118.48201	0.3
148.00600	0.3
149.68640	0.3
165.12830	10.7
296.63962	0.4
313.00012	0.3
410.23462	0.3
423.32498	1.2
425.34412	2.9
435.32489	0.3
453.33847	1.3
471.34830	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24511	1.5
54.02376	2.1
55.01889	1.9
55.13952	1.4
57.03451	3.8
73.02987	2.0
74.40512	1.6
83.05049	3.6
86.76021	2.0
89.68909	1.8
125.06139	2.5
134.62630	1.7
241.21924	2.1
287.36017	1.9
326.83493	2.1
383.33621	2.4
427.32141	6.8
446.43298	2.2
471.35107	100.0
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	Unknow
Peak:m/z	Relative Intensity
55.01882	6.5
57.03457	8.7
62.93063	0.5
64.81580	0.6
65.89288	0.5
67.14230	0.6
71.05000	0.9
73.02935	2.5
75.72222	0.5
83.05002	0.7
85.02946	0.8
92.22414	0.6
96.34261	0.6
98.03733	1.4
123.51226	0.7
128.71111	0.6
137.09610	0.6
188.10547	0.7
211.09868	0.6
235.26103	0.7
240.33432	0.6
240.35907	0.8
269.20413	0.7
312.19659	0.8
325.38034	0.7
402.90421	0.6
457.88773	0.7
471.34872	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1589
Annotation	Folinic acid
Peak:m/z	Relative Intensity
52.43678	1.2
53.65292	1.2
60.00898	1.4
62.95974	1.6
67.03015	1.8
70.28311	1.4
79.47998	1.5
80.10603	1.6
88.04025	2.2
96.96021	1.8
100.55730	1.5
103.32952	1.8
104.48865	1.4
106.04077	2.6
109.04034	2.0
115.00344	2.0
126.06709	2.9
128.03548	23.3
136.04019	3.1
145.09825	2.8
146.04617	3.6
147.05644	3.0
148.04057	10.2
163.06261	9.7
177.10298	3.8
189.10384	3.5
190.19560	1.6
200.33614	1.8
221.09349	8.8
233.09322	19.2
275.11499	6.6
300.11145	18.9
311.75650	1.7
323.43188	1.6
360.16507	1.9
385.16281	7.0
404.15466	12.5
406.41803	1.7
454.27216	2.1
472.15952	100.0
472.23413	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	472.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25274	0.9
53.55207	0.9
59.01381	30.8
64.53955	0.9
65.34304	1.0
71.01377	23.9
71.02713	0.9
73.02938	1.2
82.00111	1.2
87.00896	1.2
88.02731	1.0
89.02438	53.6
91.29279	1.1
93.75068	1.0
101.02438	23.4
113.02441	15.2
119.03506	19.9
130.08739	41.4
131.03496	2.0
143.03525	1.8
161.04550	4.3
179.05605	7.3
341.10907	100.0
472.19797	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	472.204
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29261	0.3
52.92771	0.3
59.01385	11.3
60.01707	0.5
60.50711	0.3
61.98833	100.0
66.09924	0.3
71.01390	0.3
78.25076	0.3
83.01373	0.3
101.02433	1.3
102.02922	0.3
103.90780	0.3
113.02457	0.5
123.03394	0.3
134.32344	0.3
148.86337	0.3
161.04572	0.4
198.92432	0.4
260.22589	0.3
412.21188	0.5
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
52.29261	0.3
52.92771	0.3
59.01385	11.3
60.01707	0.5
60.50711	0.3
61.98833	100.0
66.09924	0.3
71.01390	0.3
78.25076	0.3
83.01373	0.3
101.02433	1.3
102.02922	0.3
103.90780	0.3
113.02457	0.5
123.03394	0.3
134.32344	0.3
148.86337	0.3
161.04572	0.4
198.92432	0.4
260.22589	0.3
412.21188	0.5
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
57.03436	1.2
59.01377	13.9
60.01696	0.9
60.58945	0.8
61.98832	100.0
71.01398	0.8
78.56532	0.7
83.43176	0.8
85.02977	0.9
89.02412	1.0
101.02425	0.9
113.02441	1.2
199.76308	0.9
284.03467	1.0
363.04721	1.0
398.84637	1.0
449.00931	1.1
472.19266	1.0
472.26208	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.2
59.01377	13.9
60.01696	0.9
60.58945	0.8
61.98832	100.0
71.01398	0.8
78.56532	0.7
83.43176	0.8
85.02977	0.9
89.02412	1.0
101.02425	0.9
113.02441	1.2
199.76308	0.9
284.03467	1.0
363.04721	1.0
398.84637	1.0
449.00931	1.1
472.19266	1.0
472.26208	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91030	0.5
57.03447	0.5
59.01391	4.6
60.54111	0.4
71.01369	3.3
71.83310	0.5
72.99301	1.3
75.00860	14.9
76.21451	0.5
85.02937	5.0
87.11334	0.6
89.02438	2.7
89.88015	0.5
96.95979	0.6
99.00868	3.0
105.05444	0.6
112.23005	0.5
113.02417	4.2
114.85562	0.5
116.92843	0.7
117.01900	0.6
119.05010	52.5
128.87328	0.5
129.01891	2.5
136.07671	5.2
145.02928	3.7
147.02974	11.5
151.03986	8.1
154.53537	0.6
162.05586	1.3
163.04004	100.0
165.04028	7.6
179.08263	6.7
194.88889	0.6
203.08641	0.6
205.06268	1.0
207.98383	0.5
249.06158	2.3
257.08218	1.1
267.07211	3.2
275.09256	0.7
293.06647	2.5
302.99728	0.5
311.07892	2.2
325.09235	1.3
327.09552	1.1
412.48264	0.5
437.14645	4.5
473.13217	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	473.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66449	0.5
56.54643	0.5
59.01381	1.2
69.70120	0.5
71.00592	0.5
71.01387	0.6
74.92508	0.5
92.23079	0.6
95.05014	0.6
100.79342	0.6
109.14344	0.7
134.35184	0.7
137.06078	11.1
139.04013	14.5
147.86292	0.7
160.17451	0.6
163.07683	0.9
165.05447	0.9
177.05525	1.1
181.05066	100.0
189.82829	0.6
195.06615	1.1
204.51627	0.6
205.05077	14.6
207.06612	9.4
223.06107	7.2
225.07706	10.4
235.06117	1.1
306.28366	0.6
385.11411	13.2
411.12964	1.2
429.14032	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	473.163
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62626	0.5
52.77828	0.6
58.94727	0.5
61.58325	0.6
70.02978	3.5
71.01358	0.6
71.02501	1.3
72.00903	0.9
77.71347	0.6
79.24002	0.6
89.02454	2.4
95.02502	3.3
111.01978	1.4
113.03571	33.3
114.01955	21.2
131.04620	100.0
159.22089	0.5
164.70099	0.5
166.78917	0.6
281.42935	0.6
308.55380	0.6
341.10910	2.9
351.60562	0.7
473.16202	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	473.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77629	1.6
57.03450	100.0
59.01101	2.6
59.01383	55.6
65.62180	1.5
71.01373	37.4
73.02934	7.7
80.01399	2.0
83.01392	4.1
85.02944	12.5
87.00867	93.2
89.02445	25.1
91.81614	1.9
95.01398	2.5
99.04513	94.5
101.02448	39.6
103.02448	1.6
107.97141	1.7
113.02438	45.4
119.03499	9.7
122.13781	1.8
125.02435	54.7
131.64706	2.0
134.03764	3.7
134.30867	2.1
143.03522	2.8
149.06071	26.3
161.04520	2.9
171.47487	1.9
262.58575	1.9
311.11386	57.6
316.59238	1.9
329.12363	24.1
371.13431	25.6
390.42773	2.4
411.16354	3.3
473.16467	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	473.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
59.24688	0.8
60.48309	0.8
66.02675	1.1
71.01381	1.5
72.02908	0.9
89.02429	5.2
92.23113	1.2
94.15747	1.0
101.02435	1.9
113.02415	1.8
122.75832	0.9
125.51225	0.9
128.03516	4.0
129.10324	2.0
136.87921	1.0
176.04868	1.2
179.03401	1.2
191.07111	3.8
194.05815	5.5
198.03322	1.1
209.08080	8.8
221.08061	1.5
226.11861	1.3
437.20059	11.5
473.17923	57.5
473.25562	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	473.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.5
59.01391	4.4
62.90876	0.3
71.01380	4.4
73.02940	2.8
83.01361	0.7
85.02893	0.9
89.02408	2.4
90.58646	0.4
90.79997	0.4
93.03455	5.7
96.95967	0.9
99.00876	7.3
101.02456	4.5
113.02407	2.9
113.03543	0.5
115.00347	0.6
118.05077	0.5
121.04428	0.4
128.03542	0.8
129.10269	0.5
131.03534	0.5
131.04575	1.8
137.02432	17.4
144.94250	0.4
146.03735	31.6
147.04436	0.8
151.04018	5.2
161.04706	1.6
161.06075	20.6
164.04784	28.6
165.05573	2.4
172.87424	0.4
179.07140	100.0
191.05643	0.9
221.12990	0.6
238.47549	0.4
251.09196	0.7
257.08224	4.4
275.09326	1.0
293.08990	0.6
341.12335	0.6
360.58264	0.5
372.17953	0.8
413.11041	0.9
419.13480	0.9
431.12579	0.7
455.22461	0.6
473.16971	60.3
473.22635	4.0
482.07803	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62696	1.9
57.03446	2.8
59.01387	41.5
63.91920	2.3
70.22236	2.2
71.01377	26.5
72.99274	2.8
75.00869	15.4
81.72836	2.4
85.02953	33.6
87.00878	12.3
89.02442	6.3
92.23100	3.7
95.01385	4.5
99.00874	11.9
101.02451	3.1
113.02438	49.3
115.00274	2.4
117.01916	2.9
135.11797	12.3
136.45305	2.4
161.09792	3.4
176.87169	2.6
179.10696	18.0
203.19411	3.1
249.06120	21.4
249.57671	2.5
267.07227	58.6
268.03845	6.1
294.76709	2.6
373.91870	3.3
429.17685	56.5
469.92981	2.9
473.11279	5.2
473.16638	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	7.8
59.01382	100.0
60.99067	1.6
67.88372	1.7
71.01385	23.3
72.51785	1.4
73.02550	3.1
73.02942	67.0
83.01387	9.0
83.05908	1.5
85.02927	2.0
89.02446	12.8
99.00888	2.0
99.04539	6.2
101.02441	46.2
113.02441	16.2
115.30535	1.5
119.03494	7.1
125.02451	2.0
131.03555	3.3
134.03737	3.5
143.14993	1.7
149.04556	9.8
149.66075	1.5
159.65231	1.5
160.01671	3.1
161.04568	17.1
175.04002	14.2
193.05080	3.9
195.49286	1.8
221.06688	12.7
246.05786	1.7
429.21680	2.5
473.16687	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	473.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79189	1.2
59.01382	100.0
61.56648	1.2
69.67805	1.0
71.01393	10.4
71.01718	1.4
73.02944	6.7
83.52248	1.3
85.02946	1.4
85.63872	1.4
86.66887	1.0
89.02435	6.4
101.02429	6.0
109.94381	1.0
113.02412	6.7
119.03481	1.2
123.08162	9.2
131.09775	1.1
139.04025	2.8
147.98254	1.1
161.04553	2.0
163.11366	8.5
181.05086	7.0
189.12848	16.4
205.04976	1.3
207.13940	16.4
225.15016	2.6
227.91896	1.4
234.64952	1.4
354.47110	1.2
369.19193	1.3
387.20309	7.4
406.95166	1.3
429.13818	4.9
429.21310	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	473.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60272	0.6
56.70298	0.5
59.01373	3.2
70.02955	2.6
71.01393	0.8
72.00916	0.8
73.02947	0.6
74.02468	43.0
96.00908	6.1
101.02441	0.9
101.09340	0.7
111.08156	2.8
113.03562	4.5
114.01958	6.9
116.05045	10.2
131.04625	9.0
136.00668	0.6
139.04042	1.3
142.06601	1.2
146.85205	0.6
153.10318	8.2
154.08714	1.2
159.09279	3.6
166.66655	0.7
167.11853	8.9
168.10295	3.0
171.11407	2.9
172.09689	0.9
174.04784	0.7
181.05087	2.9
185.12939	3.1
197.12901	0.8
203.08276	63.0
207.06615	7.7
212.09245	4.4
229.11929	28.2
229.14043	1.2
296.17673	4.1
297.16138	2.8
299.11899	0.7
314.18805	6.9
316.14334	0.6
358.17755	27.9
362.05417	0.8
455.19388	8.8
456.17886	5.1
473.20450	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2185
Annotation	Picrasin A
Peak:m/z	Relative Intensity
56.88268	0.8
59.01380	100.0
65.96683	0.7
85.89654	0.7
86.33978	0.8
110.36955	0.8
304.19598	0.8
338.13974	0.8
392.23611	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2184
Annotation	Picrasin A
Peak:m/z	Relative Intensity
51.13877	0.7
51.59234	0.7
53.03933	0.7
59.01382	100.0
66.99549	0.7
70.51892	0.8
85.02942	1.7
97.02950	0.9
99.28326	0.8
133.06567	1.1
172.02940	0.9
174.95389	0.8
226.73175	1.0
255.07957	0.9
395.41098	1.0
413.19586	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	473.2184
Annotation	Picrasin A
Peak:m/z	Relative Intensity
59.01382	100.0
69.94680	0.8
77.48639	0.8
83.63590	0.9
231.97372	0.9
279.12219	1.2
285.22705	1.0
452.80026	1.0
457.49640	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2187
Annotation	Picrasin A
Peak:m/z	Relative Intensity
59.01384	100.0
61.98824	0.8
65.13500	0.8
65.19978	0.8
87.00872	23.1
87.89919	0.9
88.49277	0.8
136.26106	1.0
140.99429	0.9
142.26141	0.9
151.06349	0.9
155.57227	0.8
157.40256	0.9
176.44810	1.0
178.01886	0.8
186.46759	0.9
222.94093	0.9
250.80093	0.9
266.16440	0.9
272.71570	0.9
305.66135	0.9
350.68530	0.9
391.19855	1.1
391.70828	0.9
413.18857	1.0
474.38269	0.9
483.54297	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04568	0.4
59.01384	100.0
71.01363	0.7
73.02940	0.7
89.02417	0.8
92.22895	2.8
93.51279	0.5
101.02418	0.7
102.78204	0.5
113.02469	0.8
116.07172	1.2
155.45580	0.6
188.56775	0.6
188.74240	0.6
371.20731	1.0
413.22000	4.7
473.24280	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	473.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41954	0.6
59.01382	100.0
59.85118	0.6
61.98842	4.7
71.01369	2.7
73.02946	0.9
85.02940	0.8
88.56823	0.7
89.02454	1.1
90.71517	0.7
99.04527	1.1
101.02462	1.5
113.02449	1.4
124.31922	0.6
125.88129	0.7
129.50670	0.6
159.73489	0.7
161.04593	0.9
168.68594	0.8
196.98651	0.8
215.10931	0.8
251.12769	1.0
268.03879	9.4
269.04572	6.4
305.51935	0.7
337.06500	0.8
353.19666	0.9
389.43192	0.8
413.21786	11.7
473.10522	5.0
487.18967	0.7
493.95737	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03165	1.5
57.03451	64.4
59.01382	100.0
65.75152	1.2
71.01366	9.8
71.06334	1.0
72.49586	1.1
73.02941	1.8
81.03459	1.5
85.02940	2.0
89.02428	7.8
99.04514	59.8
100.14617	1.1
101.02435	20.6
108.92198	1.4
112.84086	1.0
113.02437	6.5
114.97334	1.1
119.03494	2.1
125.02427	26.6
143.03456	2.4
150.72899	1.1
159.95717	1.4
161.04541	4.9
208.58562	1.1
247.91872	1.3
268.73953	1.2
329.19693	7.1
371.20807	6.9
413.19882	3.6
413.25485	11.5
473.22986	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	473.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98254	1.1
57.03442	1.8
59.01382	100.0
71.01370	8.5
77.39713	1.3
85.02930	2.2
89.02451	1.7
101.02424	6.3
108.25620	1.1
113.02422	2.4
125.59554	1.2
130.20441	1.1
134.80022	1.1
143.03491	1.6
147.52847	1.1
161.04619	2.4
167.10803	1.5
172.99600	1.2
179.05556	1.4
413.25412	7.4
468.90768	1.4
473.05655	6.8
473.22968	3.4
473.28052	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	473.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67679	0.4
55.47795	0.3
57.76632	0.4
59.01382	100.0
64.08166	0.4
69.38702	0.4
71.01382	0.8
71.58144	0.4
85.09043	0.5
89.12669	0.4
92.23103	0.7
101.02454	0.9
113.02471	0.5
113.03587	0.7
131.04630	2.6
134.04573	0.4
165.12903	0.7
168.32104	0.4
178.39966	0.4
215.34647	0.5
338.23965	0.4
409.86496	0.4
463.16245	0.5
473.23196	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	473.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99412	0.5
63.94089	0.7
64.26936	0.5
66.46629	0.7
75.50970	0.5
125.06070	0.8
138.13850	0.6
154.82790	0.6
178.78972	0.6
249.15460	0.7
279.23315	100.0
311.91779	0.7
322.74063	0.7
335.32645	0.7
357.31381	0.9
359.29367	1.0
411.32779	1.3
429.33551	5.2
443.35422	3.3
470.33765	0.7
473.37274	21.9
485.65375	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43070	0.5
54.42776	0.5
58.81205	0.6
63.77453	0.6
65.96185	0.6
66.79378	0.8
68.24933	0.7
69.03453	4.1
72.00668	0.6
78.41962	0.6
80.73724	0.7
92.43926	0.6
97.09927	0.6
102.59660	0.7
109.06583	61.0
160.01665	0.7
173.94354	0.6
175.04007	1.1
214.11089	0.7
219.73991	0.7
234.79114	0.7
240.02252	0.7
317.28497	3.5
343.19244	0.7
355.29932	1.1
357.31665	47.5
359.29547	1.2
385.34848	24.5
411.32745	12.9
429.33771	38.4
473.32831	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00296	1.2
65.15524	1.4
70.79446	1.4
82.69772	1.3
89.08545	1.3
91.38784	1.6
158.51546	1.5
171.94234	1.4
218.62294	1.5
234.94711	1.5
303.84177	1.7
346.23044	1.5
357.53366	1.5
369.31543	6.4
411.32724	66.4
429.33774	100.0
473.32645	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	473.364
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.3
62.71062	0.3
74.27067	0.3
79.63338	0.3
80.37443	0.3
114.34116	0.3
143.20908	0.4
183.29820	0.3
255.14214	0.3
307.54028	0.4
369.31680	0.7
411.32751	10.8
411.37735	0.5
427.35858	5.5
427.40158	0.3
429.33768	18.5
455.35779	0.7
473.36783	100.0
491.37436	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	473.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58107	0.1
60.46413	0.2
69.28261	0.1
74.01258	0.2
84.02182	0.2
85.96221	0.2
148.70158	0.2
172.15799	0.2
381.31662	0.6
397.34808	2.5
399.36383	0.3
425.34094	0.9
429.33640	0.2
443.35358	0.3
455.35397	1.1
473.36411	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.364
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.6
62.58080	0.3
68.29424	0.3
69.03468	0.5
70.69035	0.3
71.01412	0.3
72.99364	0.4
74.75335	0.3
84.74580	0.3
139.11382	0.5
152.79407	0.4
176.86877	0.3
191.78372	0.3
199.82780	0.3
206.04402	0.3
260.27664	0.3
355.94107	0.4
357.31992	0.8
385.34973	3.2
401.34268	3.7
405.47885	0.3
408.38181	0.4
409.34930	1.4
411.32736	0.7
427.35849	3.0
429.34052	1.9
452.52698	0.4
473.36655	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
61.39115	0.3
66.01630	0.3
67.64601	0.3
72.99324	0.5
97.06606	0.4
100.80867	0.4
104.56465	0.4
104.95796	0.4
126.43046	0.4
228.36971	0.4
236.07033	0.5
397.34766	7.1
409.35004	0.6
410.86642	0.4
411.32672	4.8
425.34561	2.1
427.36057	0.5
429.33786	6.9
443.35339	21.6
455.35034	0.5
462.25644	0.4
473.36627	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45102	0.6
59.01369	1.0
66.36720	0.7
74.67540	0.6
82.11588	0.6
92.22490	1.1
92.23004	1.1
111.42247	0.7
133.51427	1.0
156.21469	0.7
196.05623	0.9
202.40746	0.7
208.19792	0.7
226.63570	0.7
271.33392	0.8
273.41922	0.7
397.34872	4.3
427.35892	3.3
436.72818	1.1
473.28525	10.4
473.36392	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15632	0.3
53.22032	0.3
72.99300	0.5
88.09404	0.3
130.10275	0.3
183.02017	0.4
308.17526	0.4
341.28323	0.5
341.74023	0.4
357.31723	0.8
361.31128	0.6
379.03922	0.4
385.31146	9.6
409.34698	1.5
411.32629	0.8
431.31693	21.7
455.35550	3.8
455.41647	0.4
473.36447	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66187	2.2
56.91035	2.0
59.01383	4.5
60.66183	1.9
67.95995	2.3
97.87504	2.1
98.50340	2.1
251.16504	2.7
317.55316	2.6
381.32056	2.8
427.35980	5.8
473.37070	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02298	2.3
59.01389	2.7
68.22166	2.9
106.17771	2.7
118.17901	2.5
119.79242	2.6
127.98858	2.5
137.54054	2.9
150.36807	2.6
181.08366	3.0
259.97000	2.8
427.36020	3.9
428.20972	3.0
473.36752	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.263
Annotation	Ulipristal acetate
Peak:m/z	Relative Intensity
54.66770	0.6
59.01372	0.8
59.56799	0.7
59.88752	0.6
63.59893	0.6
78.95904	100.0
95.90057	0.8
96.96951	9.0
133.79056	0.7
152.99588	25.8
171.00650	42.7
176.57410	0.9
237.26082	0.8
259.37878	0.7
400.22476	3.8
474.26315	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	475.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	6.2
59.01379	10.4
71.01377	3.6
73.02946	1.2
85.02949	1.0
89.02435	0.9
91.33765	0.9
93.03445	51.5
99.04517	8.0
101.02435	3.4
113.02431	0.9
118.87917	0.8
125.02420	1.8
134.03726	7.8
137.02441	100.0
145.02962	3.3
149.06067	1.4
151.03989	1.9
153.34624	0.9
160.01654	24.8
161.02466	8.5
167.03494	1.7
175.03998	66.7
179.03600	1.4
193.05075	9.5
209.90688	1.0
228.35747	1.0
307.08167	1.3
323.07739	4.1
337.09320	49.1
337.13306	1.8
415.23715	1.1
475.12555	36.8
475.20038	4.5
484.53918	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1249
Annotation	LMPK12112672
Peak:m/z	Relative Intensity
57.03440	3.1
59.01380	13.4
71.01366	2.1
71.65561	0.5
72.68579	0.4
85.02962	0.5
89.02425	0.9
93.03447	53.1
99.04498	2.9
101.02421	1.1
113.02437	0.9
125.02464	1.0
132.02148	0.7
133.02956	1.1
134.03738	7.2
135.04530	0.9
137.02440	100.0
149.06097	3.8
151.03983	3.1
160.01649	29.0
161.02438	7.3
175.03998	65.8
179.03560	0.8
193.03383	0.7
193.05060	9.4
235.06047	0.6
259.84308	0.5
279.57230	0.5
323.07706	6.8
333.72577	0.5
337.09332	44.8
338.63983	0.6
374.56064	0.6
399.28766	0.5
415.23819	0.8
475.12473	35.0
475.23227	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	475.1247
Annotation	Naringenin 7-O-beta-D-glucoside 6''-acetate
Peak:m/z	Relative Intensity
57.03439	0.4
59.01384	9.1
63.02390	0.2
65.00320	1.1
67.57171	0.3
71.01382	1.4
72.99295	0.4
73.02941	0.5
74.86136	0.3
75.00863	1.1
83.01390	1.7
83.71890	0.3
85.02943	1.2
85.61903	0.3
87.04510	0.3
93.03460	6.2
99.00884	1.1
99.04527	0.3
101.02431	0.4
107.01389	4.1
113.02428	1.6
118.05091	0.3
119.05019	18.4
121.02917	1.1
125.02435	1.6
125.09689	2.7
145.02907	1.2
149.06056	0.3
151.00368	48.9
151.92802	0.4
155.81841	0.3
163.11209	0.4
164.01140	0.3
165.01938	1.4
169.01421	2.2
175.00388	0.5
177.01947	6.1
181.12399	3.7
184.38741	0.3
193.01405	0.5
227.07137	0.7
249.06142	0.7
251.20552	0.4
271.06149	100.0
275.04419	0.3
313.07422	0.6
320.60956	0.3
339.22974	3.6
383.00839	0.3
415.23688	0.3
432.57965	0.4
475.12274	1.9
475.18329	8.8
492.34918	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.4
59.01384	9.1
63.02390	0.2
65.00320	1.1
67.57171	0.3
71.01382	1.4
72.99295	0.4
73.02941	0.5
74.86136	0.3
75.00863	1.1
83.01390	1.7
83.71890	0.3
85.02943	1.2
85.61903	0.3
87.04510	0.3
93.03460	6.2
99.00884	1.1
99.04527	0.3
101.02431	0.4
107.01389	4.1
113.02428	1.6
118.05091	0.3
119.05019	18.4
121.02917	1.1
125.02435	1.6
125.09689	2.7
145.02907	1.2
149.06056	0.3
151.00368	48.9
151.92802	0.4
155.81841	0.3
163.11209	0.4
164.01140	0.3
165.01938	1.4
169.01421	2.2
175.00388	0.5
177.01947	6.1
181.12399	3.7
184.38741	0.3
193.01405	0.5
227.07137	0.7
249.06142	0.7
251.20552	0.4
271.06149	100.0
275.04419	0.3
313.07422	0.6
320.60956	0.3
339.22974	3.6
383.00839	0.3
415.23688	0.3
432.57965	0.4
475.12274	1.9
475.18329	8.8
492.34918	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1824
Annotation	Kanokoside A
Peak:m/z	Relative Intensity
52.30110	0.4
59.01385	29.8
65.01517	0.3
71.01386	0.9
73.39019	0.3
85.02966	0.5
89.02356	0.4
92.23162	0.4
101.02454	0.4
103.46907	0.4
113.02438	0.5
128.03542	0.4
146.03740	26.3
161.04713	0.9
161.06079	16.8
164.04803	21.7
179.07149	100.0
415.16159	13.5
475.18594	0.5
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
50.34799	0.6
55.01866	0.7
56.55382	0.5
57.03445	0.9
59.01102	1.5
59.01381	26.6
71.01383	24.5
73.02945	9.9
83.01377	3.5
85.02950	11.7
87.00868	1.1
89.02435	20.6
92.22845	1.6
97.02914	1.0
99.00859	1.2
101.02438	25.6
111.00888	3.1
113.02438	11.6
118.85642	0.8
119.03530	0.7
125.02417	1.6
131.03500	8.1
131.41101	0.7
143.03502	0.7
149.04596	1.1
150.41693	0.7
154.31346	0.7
155.41035	0.7
159.02980	1.3
161.04559	10.4
170.10515	0.7
224.04224	0.8
273.83621	0.7
283.11856	7.3
415.16135	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1824
Annotation	Kanokoside A
Peak:m/z	Relative Intensity
57.03444	0.9
59.01381	100.0
71.01379	14.7
73.02939	39.1
73.03356	0.8
75.23916	0.5
76.45446	0.5
77.61230	0.6
83.01374	6.8
85.02950	2.4
87.00896	0.6
89.02444	6.0
93.03435	2.2
97.02929	0.7
99.00860	0.9
99.04489	1.3
101.02435	26.5
109.60373	0.5
110.21997	0.6
113.02442	8.3
119.03484	2.9
119.05019	0.7
123.08141	2.0
125.02413	1.0
131.03464	1.1
134.03712	5.4
137.02464	7.2
143.03430	0.9
149.04558	1.0
149.06050	3.8
151.00388	2.3
155.03561	0.7
161.04552	5.5
178.02727	5.5
180.98512	0.6
191.14458	0.6
193.05066	7.3
203.05585	0.7
227.07082	0.8
271.06143	4.1
281.06717	3.3
299.40228	0.5
309.78931	0.6
314.31226	0.6
414.80685	0.6
415.23386	1.3
431.19241	38.8
453.20990	0.8
475.12424	14.8
475.21115	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	475.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03157	1.9
57.03450	83.5
59.01382	100.0
59.60029	1.5
71.01372	5.1
73.02969	1.5
76.53995	1.2
81.03483	1.9
85.02934	1.9
89.02441	1.5
99.04510	89.5
101.02431	17.8
113.02451	5.1
118.48667	1.2
125.02422	32.8
143.03537	1.9
161.04543	1.6
165.12730	2.0
177.16699	1.5
183.13919	9.4
207.14101	1.7
227.12834	2.9
373.19272	1.5
415.27377	2.3
432.60394	1.4
475.06516	2.3
475.21887	17.8
475.28012	2.8
484.42947	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	475.219
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00752	1.1
57.03452	90.2
59.01382	73.5
69.75005	1.4
71.01378	2.3
73.02943	1.3
82.47820	1.3
85.02924	1.9
92.22507	2.4
99.04511	100.0
101.02448	23.3
102.97115	1.2
125.02445	35.8
143.03499	2.3
163.95413	1.4
198.22990	1.4
225.52675	1.9
384.41278	1.9
403.17087	1.6
475.21753	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	475.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	90.7
59.01382	69.2
61.98819	0.6
70.39152	0.5
71.01378	12.3
73.02950	2.4
81.03442	0.9
83.01398	0.7
85.02959	2.3
86.79063	0.5
87.00893	0.6
89.02437	22.0
89.02954	1.0
97.02943	0.7
99.04514	100.0
101.02438	25.7
113.02447	10.1
119.03489	8.9
125.02443	44.3
135.49516	0.6
143.03490	6.8
149.04510	1.0
151.07744	0.7
161.04565	3.2
179.05640	7.1
293.71936	0.6
331.17673	9.4
373.18689	13.5
376.96109	0.7
413.22000	0.9
428.39478	0.6
431.23267	1.2
475.21988	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	475.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45481	0.9
55.28736	1.0
57.03452	98.1
57.60555	0.9
59.01383	66.6
59.01686	2.1
61.72509	1.0
61.81263	1.1
69.15541	1.0
71.01382	9.8
73.02946	1.8
75.93963	1.1
85.02935	1.5
89.02441	23.6
99.04514	100.0
101.02436	28.9
113.02405	10.3
119.03493	7.1
125.02441	43.4
143.03479	8.9
149.04564	1.5
161.04584	2.8
179.05609	8.4
268.55219	1.1
331.17667	10.3
373.18634	12.1
407.42874	1.3
413.21826	2.6
475.21906	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	475.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.3
66.93301	1.4
67.03020	1.6
67.65501	1.3
69.00938	28.0
70.17523	1.3
71.01379	1.8
74.03583	10.6
86.02502	1.9
87.00819	1.9
87.01966	5.2
98.02485	6.7
99.00896	16.9
110.03614	16.0
110.10598	1.5
118.05100	56.4
125.09611	1.5
128.04691	3.6
163.11333	2.3
175.08357	14.3
181.12381	6.0
207.10316	8.4
224.12996	7.1
225.11330	15.9
242.13965	2.2
243.06714	3.2
264.13400	1.9
266.06503	1.6
282.17093	2.9
300.18347	12.5
418.20807	2.1
460.08981	1.8
475.12646	4.3
475.24228	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11557	15.3
63.52839	15.3
72.94484	21.4
94.17765	18.4
95.03555	20.1
118.98509	20.7
120.16039	18.7
204.78227	20.2
277.21732	100.0
285.78754	22.3
475.24319	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	475.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60911	17.7
57.05671	15.1
59.01369	21.5
59.03936	15.2
62.14381	15.6
70.86405	16.6
75.97553	16.6
130.31245	17.0
199.98802	16.9
224.41676	17.6
270.58417	20.1
475.24771	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39015	12.5
56.26143	13.2
57.59761	14.7
59.01378	17.9
64.45196	16.3
73.03756	18.0
158.94012	20.1
171.31360	16.6
179.03883	24.7
217.00226	16.5
463.14484	19.5
475.24527	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46479	0.8
53.18347	0.6
57.03446	2.2
58.72473	0.8
59.01382	100.0
66.13151	0.9
71.01362	1.8
72.88866	1.0
73.02956	0.9
76.43203	1.0
85.02947	1.8
92.22478	1.0
99.04505	4.2
101.02425	5.0
110.26481	0.8
125.02426	1.8
217.60953	0.9
223.32156	1.0
267.10623	1.0
271.22894	1.1
317.22757	1.0
355.21237	1.5
415.23120	4.6
415.27689	1.9
433.27942	1.6
479.60098	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24841	1.0
53.61530	1.0
56.41450	0.8
57.03445	0.9
59.01384	100.0
69.96329	1.1
70.67567	0.9
72.99316	2.2
73.74786	1.1
84.02174	1.7
89.78786	1.0
91.03986	5.2
93.89043	1.1
95.05025	4.4
112.80362	1.0
125.09703	5.5
135.08147	2.5
149.66437	1.1
150.39398	1.1
167.10829	1.9
171.10277	4.7
183.13916	2.4
185.11806	5.8
209.11839	18.6
223.13248	1.3
241.93518	1.1
243.17822	1.2
265.14520	6.0
287.16660	2.0
305.17523	5.6
323.18771	13.4
341.23297	21.8
382.80621	1.2
475.21213	2.1
475.28833	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	475.278
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36507	0.9
55.01889	1.1
59.01381	1.5
67.03017	2.1
68.95676	0.8
72.00900	2.2
74.02452	1.9
77.33019	0.8
78.08001	1.0
82.04125	1.9
84.02051	1.1
98.02485	2.0
99.00874	29.5
100.04091	1.7
107.80989	0.8
108.05679	1.1
114.91629	1.0
116.03551	8.8
118.05100	23.6
137.72258	1.0
183.13885	16.6
188.47427	0.9
193.12404	1.4
206.16637	2.0
207.10294	1.1
208.13577	1.1
210.15009	4.3
215.76987	1.0
217.13483	1.8
223.14598	2.0
225.11446	5.6
232.14610	2.4
235.14528	100.0
250.15669	9.0
252.17232	15.5
268.16675	35.5
300.18323	4.7
326.16382	1.5
342.20367	12.4
418.21136	1.4
443.25189	37.5
475.23013	6.2
475.28036	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	475.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	15.8
59.01382	88.3
69.55685	0.9
71.01375	14.9
73.02898	1.0
76.09614	1.1
85.02940	2.2
89.02433	18.5
92.93332	1.0
95.01361	1.3
99.04517	18.4
101.02431	17.4
106.64854	1.0
113.02428	9.4
119.03505	4.7
125.02427	5.4
128.14896	1.1
176.66330	1.1
183.13828	1.2
220.49788	1.3
255.07874	1.1
278.14590	1.0
280.15747	1.1
295.22784	22.3
313.23892	4.0
356.19638	1.1
368.32202	1.2
415.27274	5.7
475.06659	2.4
475.29224	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	475.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56282	1.1
56.07219	1.1
59.01381	100.0
63.95694	1.2
65.43419	1.2
68.81754	1.2
69.73270	1.1
73.06434	1.4
91.03997	7.6
92.23064	1.6
93.20463	1.5
99.04540	1.4
119.12294	1.3
139.67703	1.3
171.10225	5.4
193.12334	3.2
211.13414	5.1
225.15047	6.3
341.23364	42.7
415.27042	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	475.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
64.92443	0.6
81.05598	0.6
81.19559	0.5
152.99564	0.6
197.43256	0.6
381.31717	2.9
399.32953	1.2
427.32150	2.3
429.33807	4.7
457.33435	1.2
468.13300	0.7
475.34360	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.8
59.01381	1.6
64.89895	1.3
71.05013	1.9
73.09879	1.3
78.95889	1.7
79.08727	1.4
87.04510	100.0
100.97910	1.4
110.98444	1.8
119.08652	2.3
143.61086	1.4
147.03058	1.6
167.01152	2.5
307.26450	41.1
339.30518	5.9
351.30798	13.2
369.31836	2.0
421.34641	2.5
427.35825	2.4
439.35947	21.6
457.36935	38.2
457.42947	2.8
473.96277	1.7
475.28516	22.3
475.38049	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	476.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	4.6
61.44003	1.8
61.98827	15.7
71.01361	2.4
74.02459	3.7
85.02950	2.9
87.00893	2.2
98.02405	1.9
99.00890	2.2
109.06559	2.5
118.05056	20.6
134.04677	2.1
143.04482	2.1
147.04492	8.1
152.07170	2.0
152.10764	9.6
164.07175	58.7
166.12263	2.3
180.10234	3.3
182.10204	2.4
210.11317	21.9
245.16438	2.0
250.37151	1.8
419.18127	17.1
476.20526	100.0
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
67.21288	0.5
74.62833	0.6
78.95902	100.0
87.00562	0.5
88.18552	0.6
96.96959	10.2
105.74249	0.6
152.99596	28.4
171.00652	45.5
194.89365	0.9
194.91127	0.7
199.36702	0.6
214.04922	0.7
333.44290	0.6
356.13892	0.8
402.24133	2.8
476.27859	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	476.2784
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
54.64581	0.2
54.92973	0.2
59.01371	0.3
61.98828	0.5
66.97201	0.2
78.95901	10.3
96.47039	0.2
111.80235	0.2
118.54517	0.2
122.00133	0.8
131.24573	0.2
140.01183	7.3
145.75294	0.2
152.99591	2.3
166.67723	0.2
184.21321	0.2
196.03816	11.0
204.12439	0.2
214.04907	2.3
261.22247	0.9
275.95050	0.2
279.23309	100.0
350.25882	0.2
452.94507	0.3
476.27875	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	477.104
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	10.1
59.01381	12.5
69.15028	0.8
71.01385	0.9
74.02502	0.8
82.95403	1.7
99.04517	11.2
101.02440	3.3
113.02412	1.1
125.02422	4.5
151.00375	1.5
183.02713	1.2
200.14059	0.7
207.47069	0.8
243.02972	29.4
257.04584	9.3
270.01721	1.2
271.02521	33.4
273.17139	1.0
285.04047	26.9
286.04916	9.5
299.02011	13.9
300.02798	5.2
314.04355	73.5
315.05096	7.6
477.10422	100.0
477.23865	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	477.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.5
59.01376	1.0
71.01391	0.5
73.75594	0.4
101.02473	0.5
107.52077	0.3
109.79414	0.4
110.59121	0.4
125.02451	0.8
151.00331	1.6
169.01407	0.5
205.05191	0.6
227.03450	0.6
242.02272	0.7
243.03004	35.6
257.04581	13.1
270.01663	2.1
271.02505	38.1
285.04071	33.3
286.04861	14.2
299.02023	11.8
300.02750	6.6
314.04373	73.4
315.05136	9.1
477.10449	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	477.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	100.0
59.01383	83.4
71.01384	2.9
72.16029	1.4
73.02969	1.9
81.03440	1.8
89.02417	1.2
92.23161	1.8
99.04517	82.9
101.02450	17.1
111.62776	1.3
113.02406	2.0
125.02435	34.7
143.03455	2.3
153.09181	2.1
157.61530	1.5
161.04524	2.5
164.07254	1.9
191.28851	2.0
289.12881	2.1
331.14139	1.9
333.15491	6.0
409.56317	1.9
416.18271	2.0
416.35355	1.7
433.16867	3.4
468.87714	1.9
477.19617	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	477.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10147	0.5
59.01376	4.2
66.22691	0.6
71.01385	5.4
73.02937	5.3
74.45880	0.6
82.05440	0.6
83.01395	1.4
85.02940	1.3
87.00861	0.7
88.04035	1.3
89.02453	2.5
96.57002	0.6
96.96014	0.8
97.02958	0.7
99.00875	10.2
101.02441	6.9
113.02436	4.1
120.23065	0.7
122.03733	2.5
125.02467	0.6
131.03494	1.0
150.03218	3.7
153.01942	6.8
153.05594	3.0
161.04556	1.3
168.04277	34.6
169.05077	2.7
181.05151	1.1
183.06627	100.0
191.05585	1.4
198.21132	0.7
209.09431	0.7
215.57809	0.6
283.26208	0.8
293.08810	1.3
357.17984	0.8
369.11722	0.7
396.98944	0.8
477.16187	54.7
477.21805	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	477.1619
Annotation	Kelampayoside A
Peak:m/z	Relative Intensity
57.03452	98.8
59.01381	78.5
71.01368	4.4
73.02944	3.0
74.02464	3.3
89.02466	4.0
99.04508	100.0
101.02446	28.3
113.02483	3.1
125.02449	30.6
129.06694	4.4
143.03435	3.5
163.78299	2.1
208.62785	2.2
235.60651	2.2
302.72211	2.1
477.23465	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	477.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77663	1.6
57.03450	88.1
59.01381	100.0
61.98832	3.4
65.49760	1.5
66.39839	1.7
68.32261	1.5
71.01369	11.5
73.02927	3.0
83.01409	2.7
85.02940	7.5
98.95584	2.2
99.00877	3.7
99.04507	87.6
101.02435	24.0
105.90891	1.8
113.02447	4.0
116.92850	7.9
125.02428	46.1
143.03459	2.6
161.04529	4.1
165.12834	1.7
171.10254	3.5
183.13934	8.2
185.11987	2.0
195.13837	2.0
211.13377	2.8
291.19592	4.3
333.13403	8.1
375.14407	3.7
435.29453	2.1
477.05798	2.0
477.17639	10.0
477.22803	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	477.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	73.0
59.01383	100.0
61.46007	1.1
61.98825	1.5
69.49043	1.3
71.01382	12.0
73.02945	2.6
75.00847	1.9
83.01393	2.5
85.02940	3.1
94.07621	1.3
99.00887	2.5
99.04510	77.7
101.02431	25.6
113.02456	8.4
116.92845	3.2
125.02438	32.5
143.03499	3.0
161.04529	1.9
183.13867	5.5
205.49492	1.8
241.59059	1.6
257.07285	1.5
333.13480	8.5
375.14474	5.4
417.20322	1.7
435.22195	3.1
477.05432	2.0
477.17874	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	477.1982
Annotation	Kanokoside B
Peak:m/z	Relative Intensity
51.10139	0.7
59.01381	10.9
71.01379	7.0
71.89941	0.7
72.99293	1.8
73.02977	1.2
75.00875	7.7
85.02956	10.1
85.32054	0.8
87.00867	3.0
89.02412	0.8
92.22511	1.0
95.01377	1.4
99.00874	5.7
113.02442	15.6
117.01934	1.9
165.12834	10.5
183.13901	89.0
209.11824	1.1
227.12939	1.8
249.06212	7.1
267.07147	4.2
279.63812	0.9
360.94174	0.9
395.65601	0.9
415.19858	1.1
477.19827	100.0
490.72379	1.0
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	Kanokoside B
Peak:m/z	Relative Intensity
57.03437	3.8
59.01385	28.9
66.14903	0.8
71.01382	14.8
72.99283	1.8
73.02934	5.3
74.58797	0.7
75.00865	9.7
76.99220	0.7
77.96925	0.7
81.69373	0.7
83.01360	3.7
85.02945	17.9
87.00855	4.5
89.02438	6.2
91.33717	0.9
91.97398	0.7
93.44827	0.8
95.01353	4.5
99.00870	9.3
99.04494	1.9
101.02418	8.6
103.00331	1.5
113.02439	21.3
115.00374	1.1
115.03980	1.1
117.01916	1.2
129.01881	0.9
129.09164	0.9
131.03429	1.0
139.03976	1.0
143.03362	1.0
164.72502	0.9
165.12837	10.1
175.02440	1.1
175.03911	1.8
183.13899	70.9
185.61937	0.7
220.91615	0.8
227.12875	1.5
238.48669	0.9
249.06152	1.8
251.49800	0.8
267.07172	7.8
291.22775	0.8
301.16483	1.2
347.20856	6.5
415.19568	1.4
433.20905	16.5
450.04214	0.9
462.21893	11.3
471.30692	1.3
477.19656	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1995
Annotation	Kanokoside B
Peak:m/z	Relative Intensity
55.01858	2.5
56.93465	1.6
57.03447	6.8
59.01376	24.8
62.18920	1.3
71.01369	3.4
72.00901	3.0
73.02930	2.6
73.03342	1.5
85.02943	2.8
85.09488	1.6
85.22136	1.5
93.11267	1.5
99.00872	31.1
99.04491	4.0
101.02431	8.3
109.06551	2.5
109.81660	1.8
118.05099	10.4
129.89331	1.4
133.06201	6.1
133.57492	1.6
146.20221	1.8
147.04520	24.9
150.42834	1.8
153.06337	1.5
156.22856	1.6
159.04060	2.1
164.07173	100.0
199.53311	1.7
255.10359	6.1
273.11349	2.1
314.69745	2.0
317.15103	3.8
386.17209	10.2
408.60461	1.9
416.18307	38.4
417.16638	2.4
434.19269	19.3
477.10275	2.7
477.19363	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	477.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	4.3
59.01384	22.0
71.01376	17.5
73.02947	4.7
75.00886	0.9
78.77394	0.5
83.01403	1.2
85.02939	8.1
89.02440	7.6
91.50631	0.5
92.22449	1.1
99.00876	2.6
99.04469	3.9
101.02435	16.2
105.05589	4.5
109.91344	0.5
111.08160	2.3
113.02437	11.3
116.76416	0.5
118.34721	0.6
119.03490	3.1
125.02448	2.1
135.05745	0.7
135.73506	0.5
143.03465	1.2
159.02991	0.9
161.04584	5.7
165.12848	16.6
183.13908	100.0
195.13866	4.0
197.15474	3.5
209.11919	2.3
211.88969	0.5
213.14981	19.5
227.12950	3.2
243.27560	0.6
267.10907	1.1
281.76663	0.6
301.20355	0.6
353.84323	0.6
402.34442	0.6
405.87241	0.6
410.81961	0.5
452.73438	0.6
477.23557	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	477.2347
Annotation	Asp-Phe-Val-Val
Peak:m/z	Relative Intensity
54.33795	1.1
57.03453	100.0
59.01384	97.7
63.97066	1.4
64.63212	1.1
67.28587	1.2
77.45872	1.2
80.26514	1.1
81.03458	1.8
85.02992	1.1
99.04512	97.3
101.02420	17.8
113.43191	1.4
125.02428	35.5
125.58423	1.6
126.45229	1.2
171.14081	1.4
190.17668	1.4
208.82193	1.5
230.08345	1.5
273.33127	1.4
278.39651	1.4
335.15186	1.3
343.24802	10.4
415.23361	1.9
477.23166	6.4
488.81458	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	477.235
Annotation	Asp-Phe-Val-Val
Peak:m/z	Relative Intensity
51.25143	1.1
57.03161	1.6
57.03452	87.4
59.01384	97.8
71.01391	2.1
81.03452	1.6
85.02954	1.9
92.50173	1.2
96.89355	1.5
99.04513	100.0
101.02428	18.7
125.02442	37.3
139.88229	1.5
143.03514	2.5
161.04605	2.4
242.77554	1.4
265.23654	1.6
291.18188	1.8
295.90662	1.5
301.61951	1.5
315.25143	3.2
370.92651	1.6
383.04114	1.4
415.23749	1.6
417.28641	2.9
418.15741	1.5
445.74738	1.4
477.24017	13.3
477.30524	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	477.2345
Annotation	Asp-Phe-Val-Val
Peak:m/z	Relative Intensity
57.03453	97.5
59.01384	89.1
68.77105	1.1
73.02943	1.2
90.73080	1.4
99.04514	100.0
99.68294	1.1
101.02425	19.2
118.82703	1.3
125.02442	33.8
125.55248	1.1
143.03528	2.5
171.50305	1.1
291.18045	2.2
333.19064	2.9
417.28412	1.9
477.23245	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	477.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.4
57.03458	5.4
59.01384	100.0
60.21679	1.1
71.01378	32.7
73.02950	16.4
73.08516	1.2
78.84512	1.4
83.01389	11.5
85.02934	22.6
87.00880	4.6
89.02447	7.3
95.01401	2.8
97.02950	5.0
99.00876	6.6
99.04514	2.1
101.02435	34.9
113.02459	17.8
119.03445	1.6
124.67908	1.2
125.02452	7.0
127.04049	1.8
131.03494	1.5
143.03487	3.2
145.05029	1.9
159.02977	2.5
161.04626	9.6
179.05623	2.8
203.05679	2.8
212.09119	1.3
221.06641	2.7
263.07721	5.4
417.21326	20.3
417.28494	1.8
435.22421	69.3
435.28665	2.2
477.06351	1.7
477.23413	30.1
477.30249	2.4
490.73581	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	477.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96107	1.4
54.39832	1.8
57.03449	85.6
57.16699	1.6
59.01378	100.0
68.13717	1.6
71.01388	6.5
85.02950	2.6
99.00869	6.8
99.04510	78.0
99.05161	2.6
101.02450	18.8
113.02412	1.9
120.61515	2.1
125.02424	24.0
127.43445	1.8
143.03484	1.7
161.04599	2.2
314.04224	2.7
417.28473	9.6
477.23581	9.3
504.99344	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	477.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97517	1.1
53.63830	1.3
57.03467	3.2
57.09013	1.4
59.01382	60.0
60.01728	1.9
61.01825	1.6
63.59136	1.2
71.01388	16.5
73.02960	13.0
83.01411	3.1
85.02953	5.9
87.00919	1.9
89.02475	7.4
93.03493	2.2
99.00874	1.9
99.04555	2.1
101.02425	12.7
102.91418	1.6
113.02494	7.8
118.05164	1.9
119.03546	1.9
125.02465	2.6
136.51785	1.4
137.02480	8.7
155.07309	2.1
160.01630	2.4
160.92519	1.6
164.07256	8.4
165.07552	2.1
165.12857	2.5
168.00723	2.5
171.30487	1.6
173.09393	2.8
175.04070	3.4
176.04257	1.6
193.16064	1.9
195.45621	1.4
211.11687	1.5
237.14987	2.4
255.16151	6.7
273.17288	7.8
300.02853	5.2
314.04501	2.6
315.05209	1.8
385.19232	1.8
433.21072	1.6
435.22647	6.1
477.11023	13.6
477.23764	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89306	0.5
58.04094	3.1
58.23931	0.6
61.43248	0.7
72.00868	0.9
74.03172	1.2
74.03592	32.0
83.05016	0.6
87.20769	0.6
94.04134	0.7
96.05643	0.6
98.02470	3.5
99.00871	12.6
100.04003	1.3
116.03503	1.0
118.05097	88.5
130.11917	0.7
133.06161	5.2
171.10271	2.7
175.08368	100.0
209.11845	35.2
209.13400	0.6
227.12888	0.6
239.60957	0.7
264.74533	0.7
273.39063	0.6
284.16174	1.0
358.19928	3.1
415.36255	0.7
459.24661	0.8
477.19693	1.1
477.25809	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	477.257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52461	1.2
56.02537	1.3
72.00927	1.4
74.03596	20.3
85.02950	1.6
93.58313	1.2
94.04135	2.1
94.76975	1.3
96.96015	3.1
98.02480	1.8
99.00877	11.3
118.05095	63.5
128.03500	1.6
165.96007	1.4
169.78387	1.5
169.85553	1.3
171.07697	2.1
175.08369	100.0
209.11870	50.0
215.26361	1.3
227.12895	1.9
240.37608	1.8
240.40298	1.4
259.58926	1.4
266.15054	2.5
268.16602	1.8
283.26425	2.0
358.20169	1.5
377.95416	1.7
459.24332	1.8
477.25882	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	477.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
56.50704	0.6
58.04109	3.0
61.05857	0.6
62.25680	0.6
72.00898	0.8
74.03590	29.7
82.09000	0.7
85.49876	0.6
94.04097	2.8
98.02457	1.7
99.00872	12.1
100.04025	1.2
116.03544	0.8
116.76535	0.7
118.05094	76.3
133.06190	5.9
171.10242	3.0
175.08363	100.0
203.58183	0.7
209.11847	49.6
227.12865	1.2
231.97708	0.9
284.16269	1.4
307.31836	0.9
358.19958	2.9
457.51608	0.8
459.24390	1.6
473.80762	0.8
477.25888	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	477.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30810	1.0
55.27403	1.1
59.01381	45.1
61.98825	2.4
71.01375	3.2
73.02927	1.9
78.95915	11.5
78.96317	1.3
85.02943	1.9
89.02454	2.1
91.04002	14.0
95.05031	2.6
96.96932	2.0
101.02417	2.6
135.70767	1.6
152.99568	28.7
154.19243	1.4
154.66481	1.4
165.42064	1.3
171.10266	9.2
193.05127	1.6
195.13872	1.5
199.13451	1.6
209.11880	2.8
211.13383	8.4
229.14491	13.3
283.08829	1.5
285.25696	1.7
307.19376	2.1
325.20139	21.0
343.21271	100.0
343.25476	3.5
417.25006	12.0
477.17685	12.9
477.23883	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	477.307
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	20.4
59.01381	100.0
61.43350	1.0
77.81812	1.3
81.10070	1.2
85.02950	3.0
91.03989	6.2
99.04508	18.6
99.08131	1.5
101.02427	2.9
115.55803	1.4
125.02439	6.2
189.96257	1.2
193.12418	1.3
207.36850	1.3
225.15117	4.2
297.39868	1.3
300.55234	1.4
325.87122	1.4
343.24921	39.4
417.28674	2.9
477.23175	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	477.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37649	0.9
51.30743	0.7
51.45403	0.7
52.18233	0.8
56.88881	0.8
59.01382	100.0
59.91549	0.9
61.33364	0.8
71.01385	1.0
82.02615	0.9
89.02418	1.1
91.04011	10.1
91.47922	1.0
92.22477	1.8
95.14424	0.9
101.02445	1.3
171.10274	18.9
181.75983	1.1
185.70531	1.2
220.47136	1.0
225.14946	1.0
260.72675	1.1
293.21371	1.1
343.24908	51.6
417.28510	2.0
441.76764	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20434	0.8
59.01382	100.0
71.01402	0.7
71.93414	0.8
75.00856	1.1
91.03976	4.8
91.36722	0.8
97.64304	1.0
99.08155	1.1
109.84209	0.8
110.98534	1.2
137.09750	1.0
139.11232	1.2
149.80988	1.0
167.01105	1.1
170.62039	1.0
171.10272	12.5
193.12404	1.8
209.11864	2.2
211.13243	1.3
225.14897	5.1
245.19598	1.0
247.20625	1.4
291.19797	8.3
293.21213	1.1
309.20706	5.9
343.24921	68.9
404.98212	1.0
417.28610	4.2
477.21970	17.5
477.28293	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	477.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23912	1.4
59.01381	100.0
67.42663	1.5
68.79855	1.7
74.32670	1.6
76.54118	1.7
79.60725	1.9
79.67940	1.5
83.91291	1.7
87.12358	1.6
91.03996	8.6
146.85399	2.1
152.09117	1.6
164.94559	1.6
167.08363	1.6
171.10262	15.6
219.60986	2.1
254.41589	1.8
293.21140	2.2
305.12732	1.8
309.20905	2.4
343.24939	55.3
402.82825	1.7
417.28769	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	477.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08187	0.8
53.82365	0.7
57.03452	36.7
59.01381	100.0
59.54065	0.8
62.12284	0.8
69.12321	0.7
71.01362	1.9
85.02958	2.2
91.03989	3.7
99.04511	41.3
101.02436	9.0
104.35851	0.9
113.02460	1.1
125.02431	12.9
193.12215	1.2
225.14906	1.8
243.16054	1.1
257.28857	1.0
263.39096	0.9
343.24918	26.2
417.28458	5.1
477.23126	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	478.2942
Annotation	Glycerophospho-N-Oleoyl Ethanolamine
Peak:m/z	Relative Intensity
50.28310	0.6
54.08402	0.5
78.95902	100.0
82.19617	0.7
93.76605	0.6
96.96960	7.3
101.80313	0.7
104.67436	0.6
122.86678	0.6
150.69022	0.6
152.98344	1.0
152.99586	27.1
165.27780	0.6
167.93469	0.6
171.00645	45.6
174.54948	0.7
341.27930	0.7
373.19116	0.7
404.25714	4.0
468.23227	0.7
478.29443	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	478.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27997	0.4
52.14981	0.4
52.96380	0.4
55.51256	0.5
61.95453	0.4
66.18178	0.4
75.31785	0.4
75.94279	0.4
75.95405	0.4
78.95908	8.1
140.01160	5.2
152.99599	1.2
177.87717	0.5
193.39993	0.5
196.03821	9.5
202.85611	0.5
214.04918	2.5
281.24881	100.0
417.54337	0.5
444.56519	0.6
473.84973	0.6
478.29434	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	479.12
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46730	0.8
57.03448	1.6
59.01371	2.2
61.34317	0.8
70.61316	1.0
71.01366	1.6
75.00522	0.9
75.00856	8.8
79.25000	0.9
83.01362	1.7
85.02949	1.6
85.42567	1.0
89.02425	1.2
91.19153	1.0
99.96493	0.9
101.02411	1.2
125.02430	59.9
125.03345	1.9
131.58902	1.0
136.01625	1.4
136.60579	1.0
137.02441	1.6
137.06032	1.6
139.07661	1.0
145.62793	0.9
149.02458	5.2
151.00345	17.4
151.03972	4.6
152.01129	6.1
153.01949	8.3
165.01926	30.3
167.03377	1.0
178.99843	13.4
207.06665	1.1
231.06639	1.9
256.03824	1.7
258.05215	2.0
273.07755	1.9
274.04816	5.9
284.03265	21.5
289.07202	54.1
299.05643	40.7
317.06674	20.0
341.06503	1.1
451.12894	2.2
461.10974	4.3
479.11975	100.0
479.25580	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	479.133
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78611	2.9
56.17191	2.7
58.04494	2.8
59.01385	27.8
59.29639	3.0
59.35025	2.8
66.55916	3.4
71.01370	19.6
73.02943	4.8
89.02431	81.1
90.55073	3.6
99.00897	7.3
99.35566	3.3
101.02448	32.7
125.02430	4.9
131.03529	12.9
143.03520	5.2
149.04555	80.3
161.04628	3.9
162.93567	3.4
174.50894	3.6
191.05705	13.1
221.06659	14.0
251.07738	6.4
293.08890	13.6
311.09900	100.0
377.82327	3.5
476.11426	4.5
479.12982	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	479.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93726	0.3
53.65032	0.3
54.77577	0.3
59.01381	2.1
64.59646	0.3
64.99731	0.3
65.32342	0.3
67.37714	0.3
71.01393	0.6
72.73868	0.3
78.95896	5.8
79.95742	0.7
82.29104	0.4
83.79291	0.3
85.02956	0.4
89.02472	0.4
96.96004	100.0
96.96925	19.2
99.00877	0.4
101.02403	0.4
108.46886	0.4
120.01240	1.4
127.73199	0.4
132.00795	0.4
145.60611	0.4
166.08731	0.5
176.48058	0.5
194.99107	0.4
218.18095	0.4
253.50977	0.4
340.42297	0.4
378.43442	0.4
461.19864	0.4
479.14978	1.4
479.21741	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	479.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26547	1.4
54.53577	1.3
57.03451	100.0
59.01381	87.2
67.60968	1.4
68.35949	1.4
68.57605	1.4
69.87932	1.4
71.01384	3.0
71.93552	1.4
72.85812	1.4
79.50609	1.4
83.18749	1.4
85.25935	1.4
85.88458	1.5
99.04514	85.7
101.02431	21.2
125.02418	33.1
143.03514	2.1
152.65790	1.7
161.04565	1.9
174.51962	1.5
249.13397	3.7
291.14615	2.5
292.95001	1.7
331.21341	1.6
400.98795	1.8
435.18793	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	479.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61552	1.4
57.03452	100.0
59.01384	84.9
59.01684	2.7
59.19930	1.2
63.23890	1.1
71.01365	3.0
71.31797	1.3
74.05322	1.4
81.03477	2.7
91.16734	1.4
99.04515	98.8
99.25023	1.5
101.02437	23.8
125.02447	32.1
143.03485	6.2
147.32898	1.2
155.97000	1.5
161.04524	3.5
173.11816	8.0
176.52100	1.6
229.14522	2.3
231.10510	1.6
249.13449	8.2
291.14532	5.9
317.16104	8.0
335.17175	43.2
377.18076	2.4
435.18735	9.1
479.21616	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	479.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	100.0
59.01381	80.8
65.59457	1.3
69.48219	1.3
71.01373	6.1
73.02926	1.6
74.28107	1.2
74.80067	1.4
89.02432	8.4
99.04509	96.6
101.02441	21.9
113.02457	1.8
113.03535	1.8
125.02437	37.7
143.03494	2.2
149.04521	2.9
161.04564	2.7
161.45732	1.7
165.52570	1.3
248.44072	1.5
249.13441	3.1
291.14600	2.7
333.15686	2.8
334.09070	1.4
373.18887	2.4
375.76123	1.6
435.18854	8.4
479.24564	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	479.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65089	2.3
57.03454	68.1
59.01104	4.5
59.01384	100.0
59.25111	2.5
71.01381	25.4
73.02947	6.2
79.23183	2.2
83.01385	3.1
85.02984	2.4
87.49166	2.3
89.02434	90.5
99.00870	28.5
99.04519	70.0
101.02443	44.2
113.02473	4.5
115.77413	2.4
125.02406	24.5
131.03487	5.7
141.76497	2.5
143.03554	3.3
147.02773	2.3
149.04538	45.7
156.72820	2.7
185.22345	2.5
191.05606	14.4
218.55292	2.6
221.00072	2.4
221.06621	2.7
238.65373	2.6
251.07735	5.2
256.54218	3.0
419.19229	17.6
435.18506	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	479.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77409	0.7
57.03451	31.3
59.01104	1.2
59.01382	21.4
64.33910	0.8
65.90752	0.6
67.25055	0.6
71.01376	9.7
71.96411	0.6
73.02942	1.3
75.00875	2.7
76.99550	0.6
81.03440	0.7
83.01385	0.8
85.02934	4.3
87.00865	0.8
89.02441	1.5
99.00884	1.2
99.04516	17.9
101.01830	1.1
101.02438	9.8
113.02455	5.1
125.02443	8.5
156.44513	0.8
173.11823	23.6
187.13322	0.9
229.14433	15.1
249.06299	0.9
249.13445	1.1
259.53860	0.9
267.89731	0.8
291.14548	1.1
317.16098	17.8
335.17151	100.0
377.18158	16.6
417.21201	0.9
435.18323	1.5
472.61584	0.7
479.21390	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	479.215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74953	0.9
58.82933	1.1
59.01367	4.5
59.79855	0.9
71.01387	14.5
71.02496	1.9
73.04052	2.1
88.04040	11.5
99.00848	1.2
101.02421	1.3
103.05185	1.3
103.74809	1.0
115.00357	22.2
116.04999	1.2
119.57281	1.0
129.10295	6.1
132.03029	14.7
140.07076	1.2
146.06062	5.4
163.08760	1.5
164.07124	5.3
168.11444	1.2
169.09833	2.0
181.12323	1.3
186.12488	42.0
199.13333	1.3
218.08243	1.7
224.12766	4.7
225.11336	3.6
235.10837	1.7
241.13480	1.9
242.11804	2.4
258.16162	1.8
269.04449	1.2
276.17099	1.9
315.18335	18.8
333.19247	11.4
345.19315	2.2
363.20505	7.8
364.18832	11.8
435.22498	2.1
479.21368	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	479.216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	6.9
57.03423	1.9
59.01376	11.4
61.98829	1.6
65.88923	1.4
71.01365	1.8
72.00893	1.5
74.02470	3.1
79.31371	1.2
83.01367	1.1
85.02969	1.5
85.04018	1.3
89.02424	1.6
92.23109	1.7
99.00871	35.4
101.02406	5.6
109.02922	6.9
111.08121	8.9
118.05054	2.9
118.06574	2.0
120.17159	1.3
121.02962	22.0
127.51881	1.2
128.03490	5.3
133.06143	5.2
135.04485	3.0
147.04533	21.1
149.06009	2.8
153.10342	27.4
159.04054	1.9
164.07181	75.5
171.11385	5.1
180.04256	10.5
193.04958	1.9
195.06653	14.4
202.37764	1.6
231.33372	1.4
258.14954	13.7
260.12845	1.5
270.05359	2.9
278.72684	1.4
285.07672	1.8
286.04681	3.2
287.05618	9.6
301.06927	6.1
302.07922	7.2
302.13742	1.6
317.10315	53.7
319.16687	10.9
320.14908	6.0
375.19370	2.5
388.18814	17.4
393.20837	2.2
418.19904	55.4
419.18298	3.1
435.22272	2.8
436.20963	30.1
479.14526	3.3
479.21133	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	479.242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01970	1.7
57.03429	2.7
59.01387	3.2
69.83964	2.6
71.58302	2.0
72.07816	2.4
78.95896	8.2
84.15127	1.9
110.98515	14.7
113.09711	16.6
116.76321	2.1
152.99579	9.1
167.01131	9.8
185.02211	11.1
187.02701	2.2
195.13884	11.6
205.12375	3.9
223.13445	27.2
293.21225	100.0
461.23212	2.4
479.24323	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	479.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	86.0
59.01383	98.5
61.98830	10.5
69.23900	1.8
71.01375	10.4
71.15435	1.8
73.02956	7.9
79.92402	1.7
83.27329	2.1
85.02928	4.1
88.98816	2.4
89.02462	3.8
99.04517	100.0
99.76061	1.8
101.02434	32.7
113.02431	12.2
121.87941	2.0
125.02435	44.5
143.03461	4.9
143.10709	2.5
150.86951	2.0
161.04593	3.2
268.83624	2.3
335.20813	18.2
377.21786	23.5
419.26407	2.6
435.26404	3.6
479.25757	26.5
479.31442	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	479.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42400	0.5
55.06198	0.5
57.03462	0.9
59.01385	100.0
62.85818	0.4
71.01376	5.5
73.02946	3.4
81.03454	0.5
83.01382	0.8
85.02948	9.7
87.00880	5.4
89.02445	1.0
90.45650	0.4
95.50431	0.5
97.02955	0.4
98.59658	0.5
99.00902	0.9
100.73670	0.5
101.02434	9.0
107.76241	0.5
113.02439	5.3
123.04546	2.2
125.02472	0.8
125.06136	1.1
136.62120	0.5
143.03517	0.7
148.12439	0.5
151.04030	0.5
161.04588	1.2
299.22095	0.5
305.19757	3.9
345.19293	2.6
385.40540	0.6
419.22934	37.6
437.23999	16.4
479.10324	0.9
479.24942	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	479.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27578	0.4
55.01887	0.5
59.01382	100.0
67.43630	0.4
71.01388	6.1
73.02953	3.0
83.01399	1.2
85.02949	8.4
87.00874	6.5
89.02451	1.1
97.02930	1.0
97.54063	0.5
100.12611	0.6
101.02429	7.9
111.38159	0.6
113.02438	6.3
123.04536	2.8
125.02417	0.7
125.06065	0.8
139.04030	0.8
161.04608	0.9
169.04982	0.6
171.10286	0.6
201.11417	0.7
223.13765	0.5
223.16966	1.0
293.21393	2.4
305.19809	4.6
311.22369	0.9
345.19321	1.2
351.45789	0.5
363.07819	0.5
419.22925	35.1
437.23978	15.2
437.29855	0.6
479.10095	0.6
479.24438	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	479.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15446	1.4
55.59773	1.4
57.03453	98.0
59.01101	3.5
59.01382	72.3
66.20668	1.8
68.68781	1.8
70.73457	1.6
71.01376	9.8
73.02940	3.1
83.45791	1.6
85.02956	2.6
99.00903	2.3
99.04510	100.0
101.02445	30.9
104.94193	1.6
109.40643	1.9
113.02464	3.1
119.85238	2.0
125.02452	42.3
131.27885	2.1
139.04097	1.7
143.03462	4.0
144.15909	1.8
156.07355	1.7
156.36247	1.7
161.04558	2.6
191.26340	1.9
203.96730	1.7
243.08362	1.9
266.91702	2.4
317.06863	2.1
335.20801	11.7
377.21799	21.7
426.33478	1.9
479.25220	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	479.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	86.9
59.01382	74.4
63.77877	1.6
71.01372	7.1
75.57867	1.5
83.01398	1.9
85.02947	3.1
89.12910	1.6
92.23120	2.4
99.04514	100.0
99.05164	3.5
101.02441	30.1
113.02454	3.7
125.02441	38.6
125.52690	1.8
129.51942	1.8
133.02309	1.8
136.84521	1.7
143.03438	3.0
154.99786	1.6
161.04608	2.7
184.96085	1.7
235.64792	1.9
238.88451	1.7
335.20810	14.8
377.21851	22.6
377.53387	1.9
380.72076	1.9
417.24976	3.9
435.26495	2.2
479.24969	36.7
500.42996	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	479.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27578	0.4
55.01887	0.5
59.01382	100.0
67.43630	0.4
71.01388	6.1
73.02953	3.0
83.01399	1.2
85.02949	8.4
87.00874	6.5
89.02451	1.1
97.02930	1.0
97.54063	0.5
100.12611	0.6
101.02429	7.9
111.38159	0.6
113.02438	6.3
123.04536	2.8
125.02417	0.7
125.06065	0.8
139.04030	0.8
161.04608	0.9
169.04982	0.6
171.10286	0.6
201.11417	0.7
223.13765	0.5
223.16966	1.0
293.21393	2.4
305.19809	4.6
311.22369	0.9
345.19321	1.2
351.45789	0.5
363.07819	0.5
419.22925	35.1
437.23978	15.2
437.29855	0.6
479.10095	0.6
479.24438	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	479.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51078	1.0
55.01863	2.7
56.35176	1.1
56.72281	1.2
57.03209	1.1
57.03453	11.2
59.01380	100.0
71.01377	58.5
72.99313	1.5
73.02554	1.3
73.02947	28.8
81.03417	1.5
83.01380	14.9
85.02943	41.5
86.00055	1.3
89.02441	2.9
92.22518	1.9
93.45873	1.2
95.01378	5.4
97.02946	2.8
97.59503	1.2
99.00871	8.2
99.04518	10.1
101.02438	51.8
113.02441	23.3
119.03487	1.5
125.02457	9.8
127.11183	1.3
129.12918	1.4
143.03481	5.9
159.03008	1.4
161.04536	11.4
163.91966	1.3
170.90373	1.3
180.24481	1.3
199.13394	1.8
203.05644	1.9
223.17030	5.4
275.18683	16.3
317.19604	5.4
399.33487	1.6
419.22861	35.9
437.23926	94.4
479.24976	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	479.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28472	1.7
53.54308	1.7
57.03452	97.1
59.01381	88.2
59.73893	1.9
69.63216	2.7
71.01379	10.2
83.01368	2.0
83.32211	2.1
85.02959	5.3
89.02438	3.2
99.04514	100.0
101.02444	31.3
125.02430	40.1
143.03493	4.0
161.04549	3.1
225.91310	2.3
277.77264	2.3
322.08389	2.7
335.20737	17.4
377.21664	26.6
479.25458	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	479.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24720	0.6
59.01381	100.0
66.22458	0.8
67.46602	0.7
70.14082	0.7
73.05202	0.7
102.03909	0.7
110.98515	1.5
117.99156	0.8
141.95625	0.9
167.01181	1.6
184.86539	0.8
273.29141	1.0
311.29608	27.3
314.41342	1.1
323.97833	0.8
331.30054	1.5
359.69540	1.0
447.31485	1.2
479.31430	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	479.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.0
59.16547	3.8
69.75471	4.4
89.95378	4.6
95.93166	4.8
136.05296	29.9
137.06039	8.3
151.07635	100.0
192.82416	4.6
294.72763	4.6
311.29691	6.0
341.30521	4.7
419.35287	71.6
466.65121	6.5
479.36520	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	479.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
67.59441	2.8
71.05011	7.0
72.22269	3.1
84.41531	2.6
89.66090	3.0
98.37177	3.1
99.04546	2.8
109.06626	6.8
122.03728	4.4
123.04490	12.7
127.07642	14.5
136.05304	24.4
137.05096	5.2
137.06088	100.0
151.07635	21.3
153.05609	4.3
155.07112	5.1
165.09203	12.5
193.08742	16.8
281.28546	6.2
303.52661	3.6
323.29456	4.5
341.30634	58.9
347.16766	3.6
419.35406	80.5
463.45172	3.7
479.37399	13.2
480.69907	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	480.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25324	0.5
56.82795	0.6
57.03463	0.8
59.78098	0.6
61.98832	100.0
91.21492	0.7
110.85432	0.7
125.02439	7.1
126.02805	1.3
136.05466	0.8
259.39114	0.7
316.62439	0.7
480.20221	0.9
494.01880	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96659	1.0
59.01376	1.5
61.98834	100.0
67.91908	1.0
78.46383	1.1
98.00710	1.8
104.50167	1.1
124.69111	1.1
142.32693	1.0
146.74437	1.2
161.86192	1.1
210.12137	1.3
480.25137	1.5
502.51086	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.4
60.70992	1.4
61.98518	3.6
61.98832	100.0
65.34077	1.8
67.63029	1.6
73.08887	1.6
92.23132	4.2
101.46112	1.6
112.26028	1.7
114.49692	1.9
121.61470	1.6
199.47693	1.6
206.90744	1.8
480.24530	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	480.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22538	0.3
52.56227	0.3
52.86250	0.4
53.40925	0.3
55.18181	0.3
63.50140	0.4
68.79307	0.3
78.95891	8.6
91.28880	0.4
130.01106	0.4
152.99596	2.4
168.04320	3.1
200.61938	0.4
224.06915	6.8
242.08011	1.5
255.23318	100.0
321.60172	0.4
480.31015	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	481.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.4
57.03455	1.3
59.01385	13.3
61.98834	20.6
63.90122	1.1
66.27582	1.3
71.01382	6.7
72.99313	1.8
73.02946	8.2
76.64838	1.5
78.95899	55.3
83.01393	5.5
85.02951	6.8
85.88984	1.2
87.00854	6.1
87.04506	1.8
89.02455	2.2
96.96930	9.8
100.01658	2.0
101.02435	22.0
111.00874	57.0
111.95674	6.8
113.02437	12.2
115.04013	1.2
118.05081	2.4
123.35486	1.3
125.02444	2.9
127.04098	1.3
128.01155	19.9
129.01944	19.4
131.03456	2.0
143.03484	5.2
143.57253	1.4
150.97940	1.5
152.99588	100.0
161.04546	1.6
171.00633	2.6
184.48004	1.5
205.07227	2.6
313.23611	2.0
380.25702	5.2
419.12024	23.2
437.13077	51.5
463.21039	6.4
481.11963	3.1
481.22269	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	481.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00894	0.7
55.01863	0.8
59.01104	1.4
59.01382	31.0
64.92670	0.7
71.01379	22.9
73.02940	5.2
85.02951	4.1
88.17657	0.9
89.02437	35.2
89.57445	0.9
91.05560	1.1
95.01401	0.9
97.02968	1.3
99.00874	5.7
101.02437	19.4
105.26162	0.8
113.02462	7.8
119.03513	10.4
125.02515	1.2
125.38521	1.0
131.03474	4.0
133.10445	0.9
143.03482	1.0
147.04420	1.1
149.04550	4.0
163.04073	1.2
164.07147	4.3
180.06636	7.0
191.05573	2.1
225.49449	0.9
255.70300	0.9
289.16693	1.5
421.20850	100.0
481.20032	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	481.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80366	1.2
59.01381	31.5
61.98827	2.2
66.91172	1.6
71.01376	30.5
73.02943	14.5
75.00873	11.8
83.36150	1.6
85.02962	7.9
89.02435	46.6
95.01334	2.1
99.00877	100.0
99.01527	3.8
101.02435	9.3
113.02441	32.3
116.33511	1.8
118.05115	2.5
119.03477	3.1
125.02449	21.3
131.03508	8.7
149.04530	24.9
151.07655	3.6
161.04541	9.8
176.12308	1.9
180.06607	2.2
181.07054	2.2
191.05646	21.3
233.06720	10.4
287.07806	3.6
293.08847	9.1
445.17148	4.0
481.23120	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	481.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
68.24864	1.5
68.43759	1.6
74.56648	1.5
76.74410	1.3
78.95915	12.3
88.98849	1.6
147.30902	1.7
152.99573	50.0
171.00638	10.4
182.00056	1.9
227.03253	8.8
245.04340	31.6
253.21761	9.6
481.25745	100.0
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
56.78671	0.9
59.01377	4.1
71.85855	1.0
78.95907	10.3
80.26705	1.0
92.22491	1.6
94.93230	1.1
104.99988	1.1
146.69516	1.2
152.99588	46.8
154.75536	1.2
162.76239	1.2
171.00665	12.9
245.04338	54.3
253.21758	28.4
327.79312	1.2
345.72873	1.2
378.70966	1.5
379.32950	1.1
481.25803	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23617	0.9
58.00580	1.4
61.98829	2.3
71.01392	1.1
78.95901	13.3
84.70782	1.2
96.96992	1.2
99.08153	12.5
110.98507	7.2
112.08447	1.0
118.05087	1.2
122.21088	1.1
123.19296	1.0
127.07660	1.7
127.21552	1.1
129.09216	37.3
152.99565	26.3
167.01184	2.4
168.12485	1.2
171.00578	1.2
183.13899	83.2
185.02159	7.5
195.13954	10.4
203.56349	1.1
213.15038	1.2
228.34419	1.0
277.21796	9.7
295.22809	22.6
313.23874	65.7
361.05862	1.1
380.25375	2.4
423.04489	1.2
481.25821	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23617	0.9
58.00580	1.4
61.98829	2.3
71.01392	1.1
78.95901	13.3
84.70782	1.2
96.96992	1.2
99.08153	12.5
110.98507	7.2
112.08447	1.0
118.05087	1.2
122.21088	1.1
123.19296	1.0
127.07660	1.7
127.21552	1.1
129.09216	37.3
152.99565	26.3
167.01184	2.4
168.12485	1.2
171.00578	1.2
183.13899	83.2
185.02159	7.5
195.13954	10.4
203.56349	1.1
213.15038	1.2
228.34419	1.0
277.21796	9.7
295.22809	22.6
313.23874	65.7
361.05862	1.1
380.25375	2.4
423.04489	1.2
481.25821	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84194	0.6
59.01385	100.0
132.60948	0.6
176.38210	0.6
179.69551	0.7
375.33862	6.1
403.33508	2.8
421.34424	39.6
421.40112	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	483.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84095	0.9
57.03445	1.1
57.76397	1.0
59.01382	100.0
61.98818	2.8
65.46527	1.0
71.01374	2.3
89.02422	1.1
90.44500	1.1
91.71593	1.2
99.04520	2.8
100.10628	1.2
101.02455	1.4
104.96658	1.2
159.55707	1.2
161.04573	1.5
164.98830	1.2
181.86096	1.1
183.04182	1.2
220.89986	1.3
423.09283	13.9
445.24533	1.8
483.11258	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	483.162
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	24.0
59.01381	24.4
71.01025	1.3
71.01381	9.5
73.02942	3.0
79.11242	1.1
89.02451	3.0
97.02924	1.5
99.04515	21.1
101.02442	17.7
115.00360	7.0
115.04001	8.9
124.77389	1.2
125.02429	6.3
135.90604	1.2
144.78339	1.2
159.05635	5.1
161.04562	18.0
161.07204	6.2
161.45102	1.3
173.07188	7.7
177.06728	12.4
183.43523	1.2
189.06726	7.9
191.08333	13.7
191.09833	2.1
197.07156	1.7
199.08794	1.7
201.10316	1.8
203.08321	9.2
205.06194	92.8
215.08276	2.0
217.09882	1.6
219.07767	74.0
219.11191	19.7
227.08403	1.5
231.07758	1.9
233.09462	2.2
245.07001	2.2
245.09322	40.7
261.08832	2.2
277.46005	1.4
293.11469	7.9
321.10925	50.5
339.11996	100.0
367.16031	1.6
381.13049	26.3
389.72394	1.3
421.16248	2.4
444.01111	1.4
483.16312	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	483.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.6
59.01100	3.2
59.01383	68.0
71.01376	41.4
73.02946	19.4
83.01380	11.8
85.02932	24.0
89.02427	18.7
93.03424	2.5
96.95995	9.4
99.00877	10.5
101.02432	71.8
101.03084	3.2
109.60373	2.1
110.49348	2.1
113.02455	28.2
119.03474	4.6
128.12469	2.1
149.96184	2.2
159.02960	3.3
161.04570	13.6
184.25896	2.2
190.60927	2.4
235.11801	26.7
397.17209	60.6
423.18756	3.4
439.18243	100.0
440.07443	2.2
458.83588	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	483.2007
Annotation	11-(6-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-chloro-1,3,5-triazin-2-yl)-7,11- diazatricyclo[7.3.1.0<2,7>]trideca-2,4-dien-6-one
Peak:m/z	Relative Intensity
50.11282	2.8
50.15876	2.9
52.40289	2.7
56.07622	3.0
75.82932	3.1
89.94704	3.1
154.25539	3.1
161.85599	3.6
177.62784	3.2
180.86186	4.2
189.42149	3.6
268.81595	3.4
304.04123	3.8
483.20105	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	483.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.1
59.01379	12.6
69.32758	0.6
69.50838	0.5
71.00999	1.2
71.01375	18.7
73.02934	14.4
75.00872	0.6
83.01387	3.2
85.02935	12.4
89.02427	4.9
92.55302	0.6
94.34072	0.8
96.38321	0.7
96.95992	0.7
97.02943	0.9
99.00872	7.2
101.02431	34.5
102.62898	0.7
110.07419	0.6
112.35373	0.6
113.02433	13.7
115.03979	1.3
116.36556	0.5
124.59562	0.6
125.02372	0.9
131.03496	0.7
134.70166	0.7
159.02986	3.0
160.37244	0.7
161.04530	10.6
291.18161	15.1
312.37213	0.6
330.02063	0.8
343.83438	0.8
423.22406	100.0
483.22275	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	483.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.3
57.03446	1.5
58.06402	0.7
59.01379	17.9
59.05291	0.7
61.98825	0.8
66.34963	0.6
71.01372	22.1
73.02942	15.8
75.24148	0.6
75.92256	0.6
83.01380	3.8
85.02947	13.0
87.00854	1.8
89.02433	5.2
97.02937	1.4
99.00878	4.3
101.02435	37.2
113.02435	14.9
115.04007	0.7
129.01866	0.7
131.03447	1.1
159.02988	1.5
159.38513	0.7
161.04512	8.6
184.13623	0.7
187.89838	0.8
213.09120	0.8
218.83305	0.9
283.06082	6.0
291.18173	13.3
423.22418	100.0
483.26834	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41713	0.3
75.77784	0.3
76.67004	0.4
78.95899	3.9
96.74741	0.3
132.56288	0.4
139.28548	0.4
143.72472	0.4
152.99590	23.9
171.00621	0.6
180.37978	0.4
227.03278	1.8
245.04448	0.6
248.93887	0.4
255.23302	100.0
278.66940	0.4
298.27179	0.4
347.24557	0.4
422.12747	0.4
423.08887	0.4
483.27310	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	483.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88717	0.3
62.66819	0.3
72.04713	0.3
74.81804	0.3
75.51635	0.3
78.95887	2.7
79.46240	0.3
152.99579	9.2
171.00607	0.8
181.48055	0.4
194.78661	0.4
203.51778	0.3
227.03288	0.8
245.04372	0.6
255.23305	100.0
261.79605	0.4
483.27307	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	483.2732
Annotation	Stigmatellin Y
Peak:m/z	Relative Intensity
58.69551	0.4
66.49924	0.4
70.34405	0.4
78.09468	0.5
78.95898	4.3
94.72405	0.4
96.96960	0.5
131.80345	0.4
141.22565	0.4
152.99585	23.1
171.00687	1.8
227.03230	3.0
237.22647	0.4
245.04341	0.8
255.23306	100.0
329.57761	0.5
421.97162	0.5
483.27322	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	484.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32670	0.5
54.82899	0.6
55.71296	0.7
55.84074	0.6
56.71788	0.6
59.01397	0.6
61.98833	100.0
67.47260	0.6
73.31014	0.6
74.02502	0.6
78.50818	0.6
78.95905	4.4
118.05114	1.6
131.95421	0.7
141.46014	0.7
152.99596	16.3
153.99910	1.6
219.35815	0.6
232.87344	0.7
304.34738	0.7
424.21622	0.8
484.23779	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	484.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41152	0.7
61.12377	0.8
61.20634	0.8
61.98834	100.0
67.00945	0.8
74.03587	1.0
78.95873	1.9
84.48055	0.9
96.95988	4.1
118.05080	4.7
121.40269	0.9
152.99609	2.3
181.98087	0.9
196.57301	0.9
206.58809	1.1
308.19556	1.2
331.48727	1.0
448.22760	1.3
484.23331	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	484.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74880	2.0
58.96614	2.5
60.51570	2.1
97.06593	12.4
125.09715	100.0
151.86462	3.0
153.66689	2.7
159.06610	3.7
187.09773	81.4
210.21004	3.4
255.23108	2.9
256.23657	6.0
466.06799	2.9
484.30820	4.3
484.36768	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	484.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
59.77640	0.7
66.46883	0.7
69.80559	0.7
96.31240	0.9
97.06574	5.5
123.08157	3.2
125.09719	100.0
140.37744	1.1
169.08685	3.7
171.13889	0.9
176.24821	0.8
186.11443	1.8
187.09770	74.5
400.91934	0.8
484.36493	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	485.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03145	0.7
53.28524	0.9
57.03423	0.9
58.85414	1.1
59.01373	4.6
68.16647	1.0
71.01367	7.1
73.02926	1.2
74.02457	1.4
81.03434	1.9
85.02930	1.6
96.95990	1.3
98.85084	1.1
99.04476	5.8
101.02443	2.6
113.02399	1.9
116.38692	1.1
119.04964	1.6
140.07150	1.1
147.04486	1.2
149.02403	9.7
154.08749	1.3
163.03917	4.2
164.04797	18.7
175.00327	5.0
179.07140	1.1
180.06598	5.5
190.01013	2.1
190.02734	77.8
205.05057	97.4
209.04555	2.2
223.06140	15.6
316.09531	1.0
335.65240	1.1
347.25784	1.1
426.32709	1.1
433.30545	1.0
485.16583	100.0
511.04929	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39948	1.1
59.01389	15.9
59.20448	1.4
71.01380	10.0
74.05551	1.5
79.20243	1.3
82.61630	1.4
89.02451	10.8
90.86168	1.3
91.01917	1.4
96.95953	1.6
99.00874	2.5
101.02415	6.1
113.02461	5.6
119.03471	2.5
147.90392	1.4
149.02414	9.5
150.03314	1.6
155.90776	1.6
164.04787	24.9
175.00392	2.1
176.01083	10.0
179.07153	7.9
179.34378	1.5
188.04819	1.8
190.02742	42.6
191.03566	22.0
194.02345	1.6
201.95462	1.6
205.05083	84.3
206.05850	26.1
208.03732	6.3
221.08212	36.8
222.05347	2.4
223.06146	55.8
237.07678	13.3
250.04852	16.5
265.04477	2.8
265.07202	73.7
279.10815	7.2
295.08298	14.8
323.07364	5.7
325.09396	15.5
385.11411	3.6
485.16644	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00563	1.5
58.47138	1.4
59.01385	31.1
59.23520	1.5
60.04792	1.4
63.64146	1.6
65.48795	1.5
69.27881	1.7
71.01381	17.5
73.02929	2.4
80.67934	1.8
83.01402	2.7
83.73769	1.5
85.02939	2.8
89.02405	15.3
96.96024	2.6
101.02438	21.8
113.02435	3.9
119.03505	2.8
134.66933	1.6
161.04507	2.2
161.07227	18.2
175.08797	9.9
187.08855	2.8
189.06711	56.9
199.87885	1.7
203.08279	17.0
203.11891	1.9
214.02045	2.1
229.09821	9.1
281.94144	1.8
305.11270	3.3
401.94800	1.7
425.20477	2.6
485.17892	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
67.89778	2.5
74.02470	11.7
98.02439	2.9
103.74886	2.9
105.64034	3.2
106.11138	2.8
109.06609	4.8
116.05067	6.4
121.56559	3.4
127.05103	19.4
128.03529	20.1
133.66124	2.6
145.06194	41.5
166.08687	3.4
203.08334	39.4
376.78778	3.6
384.83188	2.9
485.20465	100.0
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
53.37233	0.2
55.41500	0.2
58.11873	0.2
59.01378	1.5
62.96412	0.5
78.95886	0.3
102.30737	0.2
189.82838	0.2
193.21194	0.3
230.66483	0.2
235.21501	0.2
240.61555	0.3
421.30377	0.3
469.25314	1.1
485.28326	100.0
502.25012	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
61.74549	1.5
61.90368	1.3
67.03011	2.0
72.00906	2.5
74.02455	1.9
79.22922	1.3
82.01743	8.1
94.04081	2.7
95.02509	3.8
97.04077	10.6
98.02485	18.7
99.00884	30.4
109.06592	7.7
116.03519	10.7
118.05097	92.6
123.04329	2.3
137.07222	10.1
138.07547	2.8
153.09103	2.2
163.11197	3.4
170.09349	8.3
171.10144	7.9
175.12444	2.0
180.97116	1.8
184.13441	2.6
192.15073	7.7
194.11845	7.0
195.11430	15.6
196.13458	7.5
204.15074	2.6
205.13458	9.2
206.11835	9.5
206.65891	1.7
207.10242	3.2
209.12939	3.3
220.14542	3.3
221.12971	6.8
223.14549	10.1
224.12936	10.9
230.13120	2.5
232.14560	8.1
236.14099	7.0
248.14046	8.4
249.12323	3.0
250.15619	10.8
251.14085	14.1
266.15131	68.6
267.15573	1.7
268.16702	40.3
284.16296	3.4
306.20740	1.9
309.20657	2.1
348.23007	4.0
366.23944	42.6
367.24826	2.8
368.25623	3.3
384.25171	19.3
385.20819	2.6
408.91803	1.9
485.22531	31.9
485.29865	100.0
506.12875	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	485.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37931	1.8
58.07399	2.2
61.98831	14.8
75.01267	2.6
82.01733	3.2
94.04137	2.7
97.04048	6.4
98.02483	15.7
99.00863	30.0
99.96772	2.5
109.06551	10.2
116.03537	4.7
118.04302	5.2
118.05099	100.0
126.05631	11.1
129.10350	3.1
163.11267	4.6
166.08746	33.7
171.10281	4.2
175.08308	2.7
181.06244	5.8
183.11423	2.6
192.15135	5.6
194.11934	5.0
195.11398	5.4
197.11728	2.6
200.14101	4.6
204.15247	3.1
205.13489	5.8
206.11838	4.6
207.10146	2.9
209.09375	28.1
209.12929	5.3
218.13139	3.1
221.12869	5.3
223.14426	3.3
224.12811	3.5
227.10185	3.6
232.03323	2.8
232.14586	4.5
236.14069	4.3
241.11977	11.8
248.14023	3.1
249.12553	3.1
250.15648	5.0
251.14037	11.0
266.15134	57.7
268.16672	33.2
299.19403	3.1
366.23932	59.3
368.25278	5.6
384.25146	15.2
385.21008	3.4
485.25702	51.3
485.29996	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	485.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20782	2.7
52.22728	2.7
53.25923	2.5
55.01868	3.0
59.01384	4.6
59.80772	2.9
71.01347	2.6
72.00906	4.0
72.73616	2.8
73.02935	3.1
83.02525	3.6
98.02472	15.7
99.00873	60.6
113.02419	4.5
116.03494	32.5
118.05099	81.4
123.04376	3.6
163.04207	3.0
168.10358	4.3
171.10243	6.5
184.13469	12.6
192.15063	16.8
195.11360	4.4
204.11339	3.7
206.11774	4.7
208.13422	17.3
209.13020	36.1
220.14655	12.2
221.12985	12.0
222.12520	7.5
233.12971	30.9
236.14024	51.1
238.15565	4.4
248.13950	5.9
266.15076	41.2
294.75720	3.3
312.77374	3.5
351.22931	5.9
366.23758	7.1
368.25531	48.9
384.25079	100.0
485.23721	39.6
485.29865	87.4
485.74149	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	485.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51849	1.1
61.98849	1.9
67.03022	2.0
71.10930	1.4
72.00895	1.4
74.03587	6.6
82.34165	1.5
84.95080	1.5
87.00845	1.5
88.31513	1.4
91.36168	1.4
97.04104	1.5
97.44836	1.6
98.02461	7.6
99.00876	21.3
102.05642	1.6
107.06103	1.5
116.03517	8.9
118.05095	50.0
123.04440	2.1
168.10320	3.2
171.10278	9.1
174.01665	2.1
175.08374	11.7
178.81909	1.4
184.13499	5.9
192.15169	6.5
194.13002	2.4
195.11453	2.7
204.11388	2.8
205.13414	2.1
206.11903	6.4
208.13475	2.7
209.13040	30.0
220.14580	6.9
221.12932	10.0
222.12459	8.9
223.14575	13.3
224.12823	2.1
230.92448	1.4
233.12996	28.3
236.14041	45.4
236.16283	2.8
238.15556	3.3
248.14247	4.9
251.14014	1.8
266.15137	27.1
291.19644	2.0
309.20694	11.1
315.20865	2.7
330.21732	1.7
333.21881	3.0
351.22888	15.1
366.24014	2.9
368.25510	18.7
384.25076	100.0
389.01120	1.5
416.33160	1.7
485.23639	8.6
485.29910	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	485.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.4
59.01388	1.0
71.01382	1.5
71.38595	1.1
74.02472	2.5
74.03597	30.3
83.05038	1.7
87.00864	11.0
92.76782	1.2
98.02477	5.2
99.00867	11.6
100.03993	1.7
104.93494	1.2
115.00307	1.4
116.03487	1.8
118.05096	100.0
133.06194	4.5
145.09796	1.3
151.11292	2.5
156.00642	2.2
165.12833	7.4
174.01718	7.4
175.08368	80.8
181.12376	12.2
191.10811	2.4
209.11861	25.6
211.13429	1.8
247.20389	1.3
291.19611	2.8
303.66995	1.4
309.20724	40.4
367.21249	5.3
376.09473	1.5
425.21719	5.1
467.28854	10.8
485.23804	7.1
485.29922	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	485.3277
Annotation	Quillaic acid
Peak:m/z	Relative Intensity
64.09207	0.5
64.84653	0.5
72.99310	1.3
74.26506	0.6
95.32151	0.6
97.06588	2.8
250.57875	0.5
298.39401	0.5
341.87109	0.6
395.33197	25.9
423.32803	4.5
441.33792	100.0
467.31778	2.2
485.32782	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	485.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.4
72.23479	0.6
83.05022	5.7
95.82983	0.6
100.11564	0.7
105.21204	0.8
109.06638	1.0
111.08154	100.0
117.22614	0.6
173.08186	38.9
212.97893	0.7
229.10793	13.0
247.11902	10.8
255.23312	76.9
260.78726	0.8
485.34906	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	486.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
64.68476	0.6
72.00906	0.9
74.02466	7.3
84.04546	7.7
92.23068	0.8
102.05610	13.9
109.06589	12.9
116.05032	6.9
117.41692	0.8
127.07663	0.9
128.03534	48.9
140.85555	0.7
142.06638	1.5
146.04605	15.1
152.07141	1.5
153.05643	0.9
159.09283	4.0
166.08733	3.3
171.06728	0.9
184.09917	0.9
186.05659	1.1
203.08276	65.0
210.07722	0.9
269.16611	0.8
282.72217	0.8
308.05594	1.5
313.15591	1.3
339.13629	1.6
357.14667	13.1
486.18906	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14021	0.3
59.01366	0.7
60.76422	0.3
61.77320	0.3
61.98833	100.0
81.13828	0.3
89.75233	0.4
91.84364	0.3
109.31279	0.4
130.08754	1.7
145.90027	0.4
182.11497	0.4
261.05139	0.4
373.75934	0.4
470.48068	0.5
486.22479	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	486.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74992	0.4
59.01390	3.3
61.98831	100.0
64.45578	0.5
64.46480	0.5
88.43819	0.5
101.02468	0.5
103.87667	0.5
127.96076	0.5
159.31436	0.5
201.50761	0.6
238.72955	0.5
315.23746	0.5
374.39517	0.5
426.22806	0.6
486.23300	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74519	0.5
58.21907	0.6
58.49558	0.5
59.01381	6.7
65.81717	0.6
71.01385	1.3
73.02977	0.7
82.45998	0.6
84.17750	0.7
85.02908	0.6
89.98115	0.6
101.02397	0.7
103.33934	0.7
112.41810	0.6
163.03992	1.0
175.03905	0.7
187.51100	0.7
195.04468	0.7
211.04010	2.7
239.03452	7.0
240.04332	2.7
267.02994	11.9
268.03799	100.0
281.04688	1.2
282.05414	2.7
283.06134	86.6
290.06009	0.8
297.07843	0.8
325.07126	3.6
428.15240	0.7
468.49466	0.8
487.12430	4.2
487.18433	1.1
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
55.79007	0.6
59.01375	1.6
64.78509	0.6
71.01380	3.5
72.99293	2.7
73.02926	1.3
74.78215	0.6
75.00860	3.4
77.44688	0.8
89.02443	1.3
92.22536	1.0
98.68078	0.7
99.00885	4.7
99.04520	1.4
101.02470	1.6
103.10178	0.7
113.02447	1.3
119.05009	14.3
126.23161	0.7
128.03548	3.3
134.03741	28.3
137.02444	1.7
138.25710	0.7
139.04066	0.9
145.02983	1.2
149.06076	35.0
161.04610	4.5
163.02669	0.8
163.04024	25.5
167.03546	0.8
171.67337	0.7
178.02715	26.5
179.05701	1.4
193.05061	68.6
219.03040	1.4
235.06306	0.9
254.25835	0.9
325.09137	0.9
341.10965	1.1
487.14734	100.0
487.24234	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	487.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79007	0.6
59.01375	1.6
64.78509	0.6
71.01380	3.5
72.99293	2.7
73.02926	1.3
74.78215	0.6
75.00860	3.4
77.44688	0.8
89.02443	1.3
92.22536	1.0
98.68078	0.7
99.00885	4.7
99.04520	1.4
101.02470	1.6
103.10178	0.7
113.02447	1.3
119.05009	14.3
126.23161	0.7
128.03548	3.3
134.03741	28.3
137.02444	1.7
138.25710	0.7
139.04066	0.9
145.02983	1.2
149.06076	35.0
161.04610	4.5
163.02669	0.8
163.04024	25.5
167.03546	0.8
171.67337	0.7
178.02715	26.5
179.05701	1.4
193.05061	68.6
219.03040	1.4
235.06306	0.9
254.25835	0.9
325.09137	0.9
341.10965	1.1
487.14734	100.0
487.24234	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	487.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64440	0.3
59.01390	1.5
71.01389	0.9
73.02960	1.9
75.00871	0.8
76.16161	0.3
81.03461	1.5
82.95428	2.6
83.02518	0.7
87.00896	0.9
89.02441	0.7
90.28564	0.4
91.04743	0.3
96.95992	0.7
99.00877	0.8
99.04536	0.7
119.05013	51.0
136.07712	0.6
143.03488	0.8
145.03006	0.7
161.04567	2.9
163.04008	100.0
179.05597	1.8
179.08261	0.6
202.67494	0.4
224.14325	0.4
325.09378	7.6
487.14502	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	487.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69854	1.0
51.20462	1.0
54.84534	1.1
57.03460	2.1
59.01382	100.0
63.61454	1.1
66.90804	1.1
71.01377	13.5
73.02946	20.3
75.00853	1.2
79.26196	1.0
83.01379	5.1
85.02962	5.0
87.00865	3.0
89.02440	1.5
92.23112	1.7
97.82388	1.0
99.04521	8.5
101.02448	21.9
113.02426	8.8
136.62596	1.3
159.03018	1.3
161.04581	9.2
165.09200	20.3
169.47607	1.2
179.10739	1.4
181.08702	8.5
217.07228	10.6
235.08244	15.1
277.09274	22.1
427.19666	1.7
487.30685	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	487.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33764	1.1
59.01105	1.8
59.01384	37.6
60.30463	1.0
62.51461	1.1
67.12111	1.2
68.64569	1.1
69.66568	1.3
70.02982	1.8
71.01363	6.2
73.02948	1.8
74.02473	7.2
86.02472	2.3
89.02423	5.5
96.00926	8.9
96.97719	1.3
101.02422	2.4
105.01926	2.4
108.72018	1.2
109.06557	2.6
110.06111	1.7
113.02454	2.9
113.03566	10.6
114.01969	10.8
127.07740	1.6
128.03531	1.9
131.03760	2.8
131.04620	28.5
132.04584	15.7
146.06146	1.5
147.92915	1.2
152.07161	7.8
152.08321	1.7
153.09232	2.4
157.07680	14.7
158.06093	10.5
175.08789	16.3
179.05626	1.5
193.05008	1.6
195.11411	1.5
201.06772	1.8
205.12418	1.6
216.43950	1.2
219.07780	19.8
250.61232	1.3
307.13956	2.6
367.17526	7.7
372.15649	5.7
427.19901	12.1
469.17374	5.9
470.15860	9.6
487.18372	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	487.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02967	1.5
66.43578	0.9
73.33888	0.8
74.02466	17.3
98.02453	2.2
99.00876	2.3
99.53900	0.9
100.17159	0.9
105.78587	0.9
109.06571	4.8
118.05093	55.7
127.05106	2.1
134.03726	8.3
135.04463	1.2
148.11295	4.1
149.06053	8.6
152.10823	6.6
166.12326	1.8
175.07220	5.3
178.02730	14.7
180.10320	2.1
192.10330	1.0
193.05074	34.6
194.31555	0.9
210.11377	39.6
236.09073	1.0
254.10368	8.4
269.11478	1.2
272.11520	1.6
311.12576	1.3
337.13898	1.8
355.15131	13.5
367.41199	1.0
373.16220	26.0
430.18341	21.8
487.14536	13.0
487.20544	100.0
497.75955	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75471	1.0
51.51441	0.9
56.57022	1.0
59.01382	100.0
71.01369	8.9
72.77514	1.0
73.02933	11.8
83.01391	1.7
85.02969	1.9
85.60954	1.2
89.02442	1.8
92.92414	1.1
101.01880	1.2
101.02432	10.4
113.02448	4.6
125.06062	1.2
127.31004	1.2
138.06868	1.8
139.07634	4.4
151.07661	6.0
152.08423	12.4
153.09209	42.6
155.87444	1.2
161.04494	2.0
165.09181	2.5
192.53612	1.1
205.12344	15.3
223.13431	12.1
235.08284	1.2
240.28090	1.2
367.17596	9.5
385.18723	4.5
427.19736	57.7
487.22104	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	487.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22395	1.3
59.01369	2.9
70.02975	8.6
71.48547	1.6
73.96103	1.3
74.02454	10.6
87.00820	2.0
96.00916	33.3
96.19847	1.4
96.95991	1.6
99.00878	1.7
99.01997	22.2
113.03571	7.2
114.01936	20.3
118.05106	7.3
127.05126	6.9
130.08658	2.2
131.04633	16.8
162.31186	1.4
167.11900	3.0
175.08360	2.2
195.73470	1.8
203.08315	9.3
204.08687	2.2
211.10901	68.3
229.12000	1.8
247.66336	1.8
250.88303	1.7
282.14569	3.2
283.06131	2.6
291.65860	1.6
302.85910	1.8
329.23691	1.7
338.50507	1.5
345.73047	1.5
351.47568	1.9
372.19177	3.6
404.96570	1.9
469.20886	9.7
487.22131	100.0
487.30896	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	487.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21574	0.6
59.01381	1.3
69.42554	0.7
73.68922	0.7
74.02084	1.2
74.02474	21.5
100.00359	1.1
102.55844	0.9
109.04062	3.3
111.08150	12.1
116.05045	8.0
127.05128	14.6
128.03540	13.1
145.06175	15.1
150.09248	3.1
154.08786	1.7
156.10304	0.8
159.09337	1.3
167.11836	2.5
167.16934	0.7
168.10289	11.9
172.09827	0.8
185.12831	0.9
203.08287	20.6
212.09290	15.1
218.73959	0.7
220.14592	3.1
223.49442	0.7
224.09320	1.0
238.15425	1.0
252.17186	3.1
268.03784	4.1
283.06177	2.9
297.16132	3.5
314.17209	1.0
340.15131	1.3
359.16299	1.4
469.21335	1.7
487.22043	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57002	1.1
59.01380	2.1
61.99561	1.0
62.28937	1.2
71.01385	1.4
72.99297	6.4
74.02470	1.6
75.00871	10.3
75.58187	1.0
75.64961	1.1
83.01376	1.8
86.77808	1.3
87.00839	2.4
88.98844	1.4
97.18041	1.3
99.00858	8.2
99.08079	1.1
102.05584	9.9
109.06605	1.8
109.94174	1.2
111.00869	1.6
113.99590	21.5
115.00359	5.8
117.01826	1.1
118.05099	2.6
125.09748	1.2
125.14482	1.0
128.01155	1.4
129.09232	1.6
135.03032	2.4
156.00653	23.5
159.04141	11.7
174.01698	100.0
175.02472	6.9
175.55589	1.2
185.11855	1.7
195.13837	1.8
196.02026	1.2
207.13951	9.4
209.11833	4.9
211.13480	4.5
223.13371	6.7
225.14969	7.7
235.13426	4.3
251.12909	6.5
253.14415	2.2
295.15543	1.3
295.22775	1.5
295.95071	1.5
305.21188	2.3
307.22885	1.6
327.21906	1.7
333.20700	7.1
351.21725	2.4
367.21213	11.4
369.22861	32.8
370.23544	1.6
387.24011	11.9
427.23453	44.3
469.24442	15.3
487.25668	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	487.267
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66924	1.1
53.30844	1.1
57.99313	1.2
68.33747	1.3
69.69126	1.2
69.72380	1.2
74.02477	1.8
74.39000	1.3
76.28564	1.4
87.00847	6.9
98.02471	1.6
99.00878	7.0
118.05096	13.6
129.09192	3.1
133.06154	2.1
141.09180	2.6
159.04105	75.0
174.01662	3.3
185.11772	12.0
197.11758	9.7
209.11818	19.6
270.99011	1.4
291.19763	1.9
309.20633	2.8
327.21930	12.3
386.21979	1.9
443.27805	5.7
487.26587	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	487.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
65.93546	0.8
68.81426	1.0
72.99318	1.1
76.17599	1.1
81.22919	0.9
97.49449	1.0
98.99384	0.9
131.26878	1.1
154.32275	1.0
159.89136	1.0
165.20309	1.2
169.71667	1.2
182.78851	1.1
220.98854	1.0
261.70071	1.2
368.05606	1.1
377.60498	1.2
397.34766	15.7
425.34253	16.8
441.33820	8.5
443.29593	2.1
443.35352	38.7
469.33051	3.9
487.34360	100.0
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	Unknow
Peak:m/z	Relative Intensity
59.01385	0.4
62.26649	0.2
71.01379	1.0
73.02942	17.2
81.65553	0.3
89.04875	0.2
89.51978	0.2
109.06575	0.3
117.12505	0.2
154.48311	0.2
160.15536	0.2
207.65672	0.3
209.11681	0.3
279.31537	0.2
337.25449	0.4
353.28519	1.8
369.31628	8.4
395.29691	1.5
413.30682	17.3
427.32635	0.4
461.64435	0.3
469.33377	3.8
487.34357	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
66.94917	0.8
72.99291	6.5
73.89787	1.0
74.15158	0.9
78.49726	0.9
83.06728	1.0
97.06600	1.4
100.49276	0.9
102.70672	1.0
136.19235	1.1
161.69991	0.9
270.42688	1.0
393.31882	1.4
397.34753	18.3
413.30612	5.0
425.34045	4.0
443.35440	90.5
469.33340	1.7
487.34357	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.9
74.02469	19.0
92.23145	2.0
102.05589	9.4
111.08144	21.4
116.05048	7.0
128.03543	36.1
146.04596	7.5
148.05255	1.1
153.58362	1.0
159.09186	1.6
168.10280	7.5
173.08192	1.8
195.15111	1.1
203.08281	35.4
204.08560	1.3
212.09303	12.2
230.10349	10.3
232.78850	1.1
297.16000	1.8
315.16528	1.1
359.16220	20.1
488.20367	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	488.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46141	1.1
59.01369	1.9
74.02469	34.9
79.68776	1.4
95.74988	1.2
96.68079	1.1
102.66562	1.1
111.08157	9.4
116.05055	9.8
118.05103	1.9
118.23534	1.1
128.07170	5.2
146.08261	12.4
153.10303	4.5
159.09258	1.8
161.32346	1.2
167.11916	5.1
168.10295	2.6
171.11365	1.5
185.13020	2.1
203.08278	36.2
203.09991	2.2
212.09320	6.5
239.17760	2.0
297.18536	1.4
341.17374	11.7
359.16068	1.7
382.21609	1.4
400.26596	1.3
447.42126	1.3
470.22977	12.8
488.24109	100.0
488.31613	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	488.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46141	1.1
59.01369	1.9
74.02469	34.9
79.68776	1.4
95.74988	1.2
96.68079	1.1
102.66562	1.1
111.08157	9.4
116.05055	9.8
118.05103	1.9
118.23534	1.1
128.07170	5.2
146.08261	12.4
153.10303	4.5
159.09258	1.8
161.32346	1.2
167.11916	5.1
168.10295	2.6
171.11365	1.5
185.13020	2.1
203.08278	36.2
203.09991	2.2
212.09320	6.5
239.17760	2.0
297.18536	1.4
341.17374	11.7
359.16068	1.7
382.21609	1.4
400.26596	1.3
447.42126	1.3
470.22977	12.8
488.24109	100.0
488.31613	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	489.1043
Annotation	Kaempferol 3-(6''-ethylglucuronide)
Peak:m/z	Relative Intensity
51.19874	0.3
52.08463	0.3
55.78466	0.3
62.61179	0.3
63.38118	0.3
66.05696	0.3
80.11182	0.4
80.26496	0.3
82.30948	0.4
88.28234	0.3
111.50259	0.3
119.34769	0.3
130.28116	0.4
138.99570	0.3
145.80975	0.3
151.00369	0.5
163.00342	1.7
184.02478	0.3
187.04056	0.7
189.05589	0.6
197.06013	0.5
199.03981	0.4
211.03990	0.6
213.05602	0.8
221.42076	0.4
227.03529	10.1
229.05043	7.1
239.03702	0.5
241.05046	1.7
255.03003	35.1
256.03839	3.7
257.04562	6.3
267.03174	0.6
283.02426	0.4
284.03290	100.0
285.04071	65.1
315.71115	0.4
469.06525	0.4
489.10440	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	489.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04712	0.3
56.52025	0.3
58.76810	0.3
59.01381	8.3
73.19472	0.3
239.65211	0.4
252.04288	24.7
265.90213	0.4
267.06644	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98363	0.9
70.13294	1.0
71.24432	1.1
71.40762	1.1
73.11080	1.1
73.54962	1.1
74.02483	1.5
78.50742	1.0
87.00881	7.1
122.55093	1.2
136.01772	1.2
162.98727	1.4
177.38281	1.2
184.57138	1.2
193.05145	1.4
265.04764	1.2
278.14984	1.2
279.06589	1.9
292.07712	1.5
294.09015	2.2
297.07709	19.7
309.07767	7.7
312.10049	17.6
322.04709	1.4
323.05667	5.2
324.06433	9.2
324.09827	1.5
327.12518	5.3
336.06299	7.7
337.07224	54.2
338.07898	10.1
339.08792	13.0
341.06570	12.8
351.08640	4.8
352.09515	19.5
353.06723	42.1
353.10486	3.8
356.09021	32.3
368.09079	15.1
371.11349	53.2
383.11368	100.0
401.12317	8.2
489.13971	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	489.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	9.1
66.01173	0.8
71.01374	4.4
72.58418	0.7
73.02938	1.4
89.02400	1.3
99.00880	7.2
101.02433	4.0
102.10229	0.8
106.86605	0.8
111.79383	0.8
113.02422	1.1
121.30544	0.9
135.04509	4.5
136.05290	3.4
151.07645	1.7
167.64207	0.9
195.06633	100.0
291.32309	0.9
489.16193	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	489.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35749	0.7
59.01379	5.6
61.22002	0.7
61.61983	0.8
68.53909	0.8
71.01366	7.5
73.02935	1.2
74.03594	4.1
85.02934	0.9
87.00864	1.0
87.88815	0.7
89.02417	5.8
89.38219	0.8
93.03505	0.9
95.90374	0.8
98.02483	1.2
99.00871	4.0
101.02435	4.5
108.44762	0.8
113.02412	3.1
118.05086	13.2
119.03468	1.8
121.05064	1.8
133.06105	0.9
147.04541	1.0
149.02460	6.1
152.01180	0.9
163.03970	1.1
164.04770	21.5
171.10164	1.2
175.00378	5.1
175.08366	12.1
179.07138	1.9
190.02721	49.9
205.05069	83.4
208.03743	1.6
209.04559	1.6
211.07646	1.9
221.08228	1.1
221.11845	3.8
223.06099	21.9
243.10945	1.0
265.06912	1.6
327.08725	4.2
489.16165	100.0
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	BMS-268770
Peak:m/z	Relative Intensity
51.77023	0.7
59.01377	7.5
71.01380	4.7
72.35941	0.8
77.74494	0.7
82.98211	0.9
85.02940	1.6
89.02435	8.4
99.00895	1.2
101.02431	4.0
113.02428	4.6
118.05093	6.7
119.03436	1.5
119.05020	1.1
129.80078	0.8
134.03748	26.3
149.06107	7.1
151.06148	3.4
152.99557	0.9
160.01657	32.3
163.04004	1.4
171.10284	1.5
175.03999	79.6
175.08344	5.6
176.04802	1.2
191.07188	10.3
193.05072	41.6
195.06650	8.1
201.11255	1.9
207.06534	1.8
211.07614	1.8
235.06158	13.6
258.40582	1.0
304.39658	0.9
386.83731	1.0
388.20645	1.2
489.16159	100.0
489.27274	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	489.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.9
59.01382	52.9
59.01682	1.9
61.98853	1.0
67.98639	0.7
71.01376	33.3
73.02944	10.5
75.00877	0.8
76.04489	0.8
79.52885	0.9
80.10226	0.8
83.01384	5.3
85.02943	10.9
86.23942	0.9
87.00912	1.3
87.26024	0.8
89.02437	13.4
89.34673	0.8
96.00925	1.0
97.02950	0.9
99.00867	3.4
99.04501	1.9
101.02441	30.9
111.00877	1.9
113.02441	13.0
113.03564	5.8
114.01930	3.6
121.02935	1.2
125.02415	1.7
131.03488	9.5
131.04619	22.9
143.03481	1.5
149.04549	1.1
151.04025	1.2
159.03032	1.4
161.04553	9.4
165.12856	7.1
226.14534	4.0
245.00137	1.0
297.13409	7.4
341.17258	1.7
429.17648	100.0
489.20947	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	489.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91321	1.3
59.01382	100.0
65.03964	2.3
68.76931	2.0
71.01374	23.7
73.02943	17.9
74.02462	2.3
78.16412	1.3
81.03447	2.0
85.02939	7.4
89.02424	6.9
96.00908	3.2
99.00867	3.5
101.02435	28.0
111.08168	1.7
113.02473	13.3
114.01924	2.9
131.03708	2.0
131.04594	2.0
132.04498	1.9
143.03487	2.0
149.09744	10.9
150.86261	1.5
153.09209	2.2
158.06053	2.4
159.02934	2.6
161.04555	19.4
161.09755	16.7
161.38898	1.7
175.08791	3.5
179.10674	11.6
182.82425	1.6
182.96246	1.6
197.12999	3.7
203.05600	3.6
219.07761	3.4
223.27618	1.4
235.08208	10.0
241.14297	2.1
255.03087	3.8
261.44180	1.7
277.09225	8.3
284.03204	16.6
285.04105	7.9
323.15030	3.4
374.17136	2.3
385.18448	11.3
403.19757	16.8
445.20819	87.4
472.17496	2.3
489.10461	10.8
489.19852	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	489.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42515	0.5
59.01383	35.4
66.33755	0.5
67.15578	0.6
92.22507	1.0
94.98087	2.8
105.07095	9.0
112.64445	0.5
115.96935	0.6
133.66283	0.6
149.06078	100.0
171.02745	0.6
249.95805	0.5
265.36783	0.6
502.79617	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28691	0.8
65.64996	1.0
70.85704	1.3
74.02467	6.9
81.25770	1.0
82.20840	1.0
84.74284	1.0
85.54399	1.1
85.55799	0.9
96.96038	1.2
106.37413	1.2
106.55949	1.1
111.08147	11.0
118.05087	40.6
119.04990	1.5
150.12822	1.2
156.79286	1.1
168.47488	1.3
176.60115	1.2
211.07660	5.0
211.14468	5.2
212.12874	2.6
237.09157	1.5
256.11829	10.0
269.18777	1.7
273.14532	1.3
274.12976	5.7
281.13925	5.0
281.54926	1.3
283.16464	2.2
295.16611	1.5
302.80798	1.3
309.14624	1.7
313.17557	4.5
331.18814	4.4
339.15643	5.8
357.16681	39.3
361.26193	1.3
375.17764	44.9
375.22501	1.5
432.19864	20.1
489.14444	8.3
489.22018	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54598	0.4
59.01383	100.0
69.82670	0.5
71.01373	5.0
73.02936	3.8
83.01366	0.5
85.02962	0.9
88.32732	0.5
89.02444	5.3
92.23099	0.6
96.00923	2.0
96.95994	2.1
101.02450	6.2
113.02459	2.8
113.03252	0.4
114.01965	0.7
115.81397	0.5
117.09486	0.4
119.03515	1.6
131.03699	0.5
131.04633	0.8
132.04547	0.6
143.03535	0.7
152.08429	0.6
161.04611	2.4
179.05644	0.8
197.13004	0.6
199.27069	0.5
202.15208	0.5
203.08292	0.7
227.03534	0.7
255.03067	1.0
284.03339	5.6
285.03992	4.0
294.50568	0.5
309.11331	1.0
369.19220	1.8
387.20413	2.7
429.21338	22.5
445.21552	0.6
462.72726	0.5
489.11081	3.6
489.19955	4.2
489.25082	1.0
506.01126	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
62.48524	0.4
65.58506	0.4
71.01441	0.4
84.70734	0.4
100.48999	0.4
133.41035	0.5
167.18570	0.5
171.83084	0.5
173.70879	0.4
187.32866	0.4
209.46585	0.5
236.59395	0.4
327.99759	0.4
358.06558	0.4
361.64069	0.5
429.21271	3.4
489.23520	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	489.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49894	0.7
59.01381	41.9
61.77837	0.8
71.01016	1.2
71.01369	24.8
72.89877	0.7
73.02938	14.2
83.01360	1.6
85.02943	8.2
89.02435	13.0
95.01316	1.3
97.02901	0.8
99.00867	9.0
101.02441	21.9
113.02441	20.8
119.03505	2.6
125.02372	1.3
143.03430	1.2
149.04440	0.8
159.02859	3.9
161.04538	14.0
171.10156	1.5
183.13786	0.7
211.13234	3.3
229.14371	5.6
253.61003	0.8
315.18182	6.9
327.21732	1.1
429.21042	1.5
447.17255	0.9
447.22296	14.1
468.92355	0.9
489.23001	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.3
59.01383	72.2
61.98822	1.3
67.15377	1.0
71.01022	1.4
71.01381	35.7
73.02937	35.9
83.01365	2.5
85.02917	6.5
87.00837	2.1
88.98769	2.9
89.02441	41.7
95.01335	1.1
99.00877	100.0
101.02439	23.1
113.02449	21.9
119.03473	6.6
125.02403	2.3
131.03490	13.6
143.03448	2.7
149.04575	22.7
155.03476	2.7
161.04488	6.2
191.04076	1.9
191.05644	27.6
194.86885	1.3
203.05672	13.4
209.11864	1.4
233.06548	6.0
233.28223	1.3
285.07596	2.1
291.19742	2.1
372.46619	1.3
420.26523	1.6
447.22388	8.4
489.23236	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	489.235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
63.59039	0.6
63.68282	0.6
69.45040	0.6
71.01375	10.2
73.02943	3.9
83.01396	0.7
84.81251	0.6
85.02948	6.4
89.02464	0.9
92.95166	0.7
99.00873	1.1
100.88902	0.6
101.02430	10.3
104.66801	0.6
113.02435	5.6
132.92578	0.7
159.03008	1.2
161.04523	4.8
199.94289	0.7
269.04547	1.2
284.03296	4.9
285.04004	3.7
285.07187	1.1
331.17648	52.1
460.18317	0.8
489.10141	3.6
489.23505	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	489.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98861	10.3
78.38815	9.5
80.52425	8.2
85.23238	10.1
87.53188	9.8
95.40525	8.6
142.49905	9.8
153.50798	9.7
159.16754	11.6
171.10324	10.4
195.56448	10.7
295.22906	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	489.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97890	0.6
53.67869	0.6
57.03433	1.0
59.01382	35.4
61.98839	3.6
71.01378	12.2
72.76908	0.8
73.02940	1.0
85.02975	3.9
89.02442	13.3
89.26043	0.7
89.26549	0.8
89.76987	0.7
99.00880	2.8
99.19398	0.7
101.02442	9.9
106.28709	0.7
111.08176	1.2
113.02454	5.3
119.03519	1.7
128.36266	0.7
130.08737	4.9
131.09038	1.2
131.21341	0.6
147.58534	0.7
155.10823	3.1
165.12891	1.0
171.10287	3.1
183.13985	1.2
209.11934	1.2
209.60748	0.9
211.13379	7.3
221.11819	0.8
229.14406	11.0
231.66566	0.8
247.20667	1.7
291.19638	12.0
309.20853	4.0
327.21832	1.8
372.50272	0.8
489.27243	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45249	0.5
56.15388	0.6
57.47962	0.5
58.28160	0.6
59.01099	1.1
59.01381	20.8
60.10025	0.6
61.98829	0.7
63.16096	0.6
71.01377	9.3
73.02952	0.9
83.05037	2.8
83.87677	0.6
85.02950	2.7
88.98815	0.8
89.02441	10.8
95.01412	1.0
99.00854	1.0
101.02416	5.9
113.02443	4.9
113.03158	0.9
119.03483	1.7
123.08182	1.2
125.06060	1.5
125.09682	0.8
127.23252	0.6
129.09225	1.6
141.09218	0.9
163.11313	1.6
165.12849	9.9
167.10829	0.9
171.10344	1.4
179.14497	1.3
183.13994	1.1
185.11835	7.0
191.10829	1.0
193.15987	3.8
197.11826	4.7
209.11847	74.7
227.12909	3.6
230.05446	0.8
247.20679	11.3
273.18546	2.9
291.19687	55.1
309.20758	24.4
324.09280	0.7
327.21674	8.8
330.59311	0.8
350.76474	0.8
389.18198	11.3
430.91336	0.8
471.26089	3.4
489.27139	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.5
59.01384	100.0
61.98839	2.5
71.01377	43.2
73.02960	1.9
74.14545	1.0
75.64602	1.0
75.95142	1.3
83.01405	1.3
85.02955	8.5
87.00860	1.7
89.02441	55.3
92.22524	1.2
95.01385	1.7
101.02447	29.0
109.82047	1.2
113.02447	24.0
116.07417	1.2
119.03485	22.4
143.03532	2.2
147.57684	1.1
159.92798	1.2
161.04530	6.7
179.05629	21.0
183.13927	2.0
371.97675	1.3
429.28616	5.4
489.34634	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	489.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
65.56389	0.4
72.99268	0.5
76.22827	0.4
90.78765	0.5
232.35966	0.5
413.34174	0.9
459.34958	0.5
460.00238	0.4
471.34619	0.8
489.35925	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76625	0.4
53.89622	0.4
57.03446	1.1
59.86814	0.5
61.98825	0.9
72.99294	0.5
73.82064	0.4
87.14355	0.5
98.46737	0.5
121.38443	0.6
139.11290	10.6
160.32224	0.5
170.72363	0.5
226.54933	0.5
280.13593	0.5
408.49994	0.5
425.34140	1.0
443.35355	4.9
471.34805	1.1
489.35938	100.0
507.37070	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03196	1.2
57.03453	24.8
59.01107	1.4
59.01384	26.3
61.98835	100.0
62.29427	0.8
64.65532	0.8
71.01380	3.6
74.02484	4.0
75.34144	0.8
85.02953	1.4
89.02415	1.1
90.80195	0.8
99.00861	1.2
99.04513	23.9
101.02435	9.8
113.02420	4.7
118.05103	1.4
125.02446	7.7
130.08749	0.9
159.02974	1.1
161.04520	6.1
165.12810	1.3
175.04033	1.1
219.15465	0.8
226.15878	1.0
255.03090	1.3
256.03381	3.6
257.04324	1.2
283.11871	5.1
284.03290	5.0
285.03732	11.9
286.04276	6.1
293.24603	0.9
325.12930	5.1
365.15845	1.0
421.23911	0.8
427.16138	46.8
427.21869	1.9
490.10666	10.1
490.22696	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	490.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03196	1.2
57.03453	24.8
59.01107	1.4
59.01384	26.3
61.98835	100.0
62.29427	0.8
64.65532	0.8
71.01380	3.6
74.02484	4.0
75.34144	0.8
85.02953	1.4
89.02415	1.1
90.80195	0.8
99.00861	1.2
99.04513	23.9
101.02435	9.8
113.02420	4.7
118.05103	1.4
125.02446	7.7
130.08749	0.9
159.02974	1.1
161.04520	6.1
165.12810	1.3
175.04033	1.1
219.15465	0.8
226.15878	1.0
255.03090	1.3
256.03381	3.6
257.04324	1.2
283.11871	5.1
284.03290	5.0
285.03732	11.9
286.04276	6.1
293.24603	0.9
325.12930	5.1
365.15845	1.0
421.23911	0.8
427.16138	46.8
427.21869	1.9
490.10666	10.1
490.22696	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	490.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83197	1.2
59.01370	3.0
61.98829	1.2
64.25422	1.2
67.14126	1.2
68.09097	1.3
78.95901	14.0
79.59297	1.0
98.89027	1.2
112.74411	1.5
113.09711	29.3
135.11809	1.5
139.11266	2.3
140.01183	8.7
158.34225	1.3
167.10782	2.6
177.12772	1.7
179.10730	3.1
181.97285	1.3
195.13918	5.8
196.03851	14.6
214.04852	6.1
249.22307	3.1
293.21265	100.0
328.72308	1.4
417.14316	1.5
448.92313	1.4
490.25833	96.2
490.32755	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	490.258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03246	0.6
58.92803	0.7
59.01387	1.1
61.98843	6.5
70.05786	0.7
78.95904	100.0
96.96945	7.8
112.01559	0.9
152.99583	26.2
153.00778	1.7
171.00645	39.7
198.41104	0.9
199.66699	1.0
262.67429	0.8
416.22247	1.8
433.97052	1.0
490.25827	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	491.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57587	0.8
59.01384	5.0
62.54610	0.8
71.01378	2.1
81.03465	1.2
83.01378	1.8
87.00865	1.8
95.01408	1.1
96.95969	2.0
101.02438	0.9
109.02986	1.1
123.04508	5.4
125.02406	1.9
137.06078	2.2
139.03993	1.1
141.05603	1.3
153.05640	1.1
161.90408	1.0
165.05547	2.1
167.03503	19.2
167.10765	1.4
179.03439	4.0
181.05116	1.5
193.05054	1.4
194.11821	0.9
197.04597	5.5
209.04581	56.2
221.04573	10.5
223.06123	1.3
233.04655	1.4
235.06093	2.1
239.05650	21.4
248.03175	1.4
251.05629	100.0
251.97487	0.9
263.05579	6.6
265.07315	1.5
281.06683	58.7
293.06683	5.4
311.07870	13.3
353.08905	2.0
371.05399	1.8
371.09860	33.6
375.17340	1.1
383.09833	1.6
401.10803	4.3
473.12900	1.9
491.13962	38.9
491.20493	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	491.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.5
66.70163	0.3
67.53468	0.4
71.01372	1.9
73.02934	2.3
75.00869	0.6
87.00867	0.7
89.02432	16.5
90.60378	0.3
92.22311	0.3
94.79248	0.3
103.03993	2.0
111.09370	0.4
115.88716	0.4
131.03485	7.1
133.95575	0.3
149.04544	100.0
155.54239	0.3
185.01877	0.3
311.99365	0.4
441.02606	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.2
57.97994	0.6
58.22979	0.5
59.01381	29.7
59.01683	1.0
61.98820	0.9
67.01891	0.7
71.01379	6.7
72.99290	2.4
75.00861	12.0
85.02953	11.1
87.00860	4.0
89.02426	2.8
91.03983	0.9
95.01369	3.0
99.00884	6.8
99.04495	1.1
103.00361	0.8
113.02444	16.1
115.00392	2.2
115.82733	0.6
117.01910	1.3
129.00372	0.5
129.01895	0.6
135.11852	0.9
137.09714	6.4
153.09193	1.0
161.09720	1.0
175.02507	1.1
179.10780	3.3
181.08725	4.9
189.04005	0.7
197.11839	3.5
223.09755	0.8
231.05014	1.4
249.06175	13.8
267.07181	7.7
315.14410	1.1
345.76111	0.6
448.18320	0.7
491.17712	100.0
491.30917	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	491.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38456	1.4
56.21650	1.2
56.28506	1.5
57.03451	100.0
59.01383	76.6
63.50810	1.4
70.22782	1.4
71.01371	3.2
73.02932	7.1
85.87773	1.5
99.04511	93.3
101.02429	25.0
125.02436	41.2
143.03485	3.0
161.04597	2.9
187.35123	1.7
251.58536	1.7
430.63986	1.7
447.18716	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	491.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25463	1.1
57.03453	100.0
58.87671	1.1
59.01382	84.6
65.16389	1.2
71.01367	2.7
73.02940	1.9
85.02947	3.0
89.02446	2.9
99.00859	1.7
99.04516	90.7
101.02446	17.9
102.78270	1.4
109.09201	1.5
113.02423	3.6
115.02607	1.4
125.02428	28.2
128.74019	1.4
131.26703	1.6
137.01811	1.5
143.03534	1.5
151.03867	1.8
165.01877	3.1
177.34267	1.3
181.05038	8.9
232.84348	1.5
241.08730	2.7
261.13440	2.1
263.74451	1.7
303.14493	2.0
388.68124	2.5
431.26596	3.0
447.18643	7.2
491.15686	2.1
491.28577	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	491.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84114	1.5
59.01381	7.1
67.24479	1.5
69.71505	1.4
71.01371	10.7
73.02932	3.8
78.15691	1.7
82.11228	1.7
86.30030	1.6
88.04009	2.0
88.29044	1.7
89.02465	3.4
96.96016	4.2
99.00898	12.5
101.02432	7.0
113.02450	2.5
122.03694	3.4
123.04503	2.2
124.75011	2.0
138.45160	1.8
179.07230	2.3
182.02289	3.5
182.05840	41.8
197.04568	3.0
197.08215	100.0
202.69772	2.0
202.71954	1.8
227.14195	2.1
256.04053	1.7
297.31982	2.0
339.17532	2.1
354.08389	1.7
491.17685	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	491.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71155	1.4
57.03194	1.9
57.03451	33.4
59.01101	2.8
59.01379	50.4
65.05648	1.3
65.81784	1.1
71.01369	14.3
72.99274	3.0
73.02934	3.6
75.00850	12.5
83.01376	2.1
85.02939	15.9
87.00866	7.9
89.02424	8.1
96.13589	1.3
97.02956	1.4
99.00877	9.2
99.04516	26.3
100.04897	2.0
100.63845	1.3
101.02435	11.3
111.08150	6.9
111.19991	1.7
113.02445	16.0
117.01895	2.0
125.02422	21.7
129.01930	1.7
143.03502	1.9
143.10760	25.8
157.12329	2.9
165.12836	64.4
183.13875	11.5
209.11839	6.0
227.12796	2.1
249.06094	10.1
366.91324	1.6
405.13400	9.0
415.19739	5.5
491.21378	100.0
491.28384	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	491.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21960	1.0
57.03449	71.3
59.01379	54.0
71.01373	8.4
71.01723	1.1
73.02937	12.0
75.00854	2.3
80.01274	1.0
81.03455	2.3
83.01352	1.6
85.02955	7.9
89.02426	2.8
92.22530	2.0
95.01367	2.1
99.00864	4.6
99.04509	65.3
101.02435	16.0
113.02438	14.8
125.02432	58.8
133.16605	1.2
143.03459	1.9
143.10768	100.0
157.12325	13.0
165.12843	19.5
213.48984	1.4
249.06119	7.7
267.07242	13.2
406.85248	1.2
489.33957	1.5
491.21289	40.2
491.28061	2.8
491.36496	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	491.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45632	1.0
55.86159	0.8
57.03199	1.0
57.03454	18.5
57.39807	0.9
59.01382	19.6
63.51218	0.9
71.01370	3.9
71.59875	0.8
73.02913	1.5
73.52322	0.8
85.02971	1.2
89.02415	1.7
99.04511	18.8
101.02419	6.8
113.02425	2.2
125.02416	8.8
131.03532	1.7
131.55708	0.9
134.75064	1.0
149.04539	12.3
157.77916	1.0
165.12843	23.4
183.13902	100.0
209.11711	1.5
227.12891	23.5
251.96696	1.1
331.90488	1.3
347.20499	1.9
359.17200	13.5
389.21747	1.6
431.26456	1.7
491.21341	61.2
491.27844	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	491.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.1
59.01380	5.5
67.01899	0.3
67.05576	0.3
67.71392	0.3
69.03439	0.4
71.01383	3.8
73.02952	0.3
85.02940	5.8
87.00882	2.0
89.02440	0.8
91.03996	0.6
92.23207	0.3
95.01384	1.5
99.04501	1.5
101.02425	1.3
111.00888	0.5
113.02442	6.4
114.64809	0.3
125.02431	0.5
129.01892	0.3
139.00369	0.5
149.04561	2.0
157.01445	0.4
159.76418	0.4
165.12846	12.2
168.43077	0.3
183.13901	100.0
209.11942	1.8
210.05809	0.3
227.12901	6.3
231.29059	0.3
263.07715	2.2
267.25848	0.3
281.08771	0.5
301.16553	1.3
359.17419	2.7
366.27505	0.3
415.19928	0.6
459.18796	2.0
473.20520	0.5
491.21390	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	491.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.75080	0.7
66.64479	0.6
71.01382	1.8
73.02939	1.7
75.52842	0.7
75.70093	0.7
85.02978	0.9
86.60220	0.7
92.22457	0.8
101.02443	1.8
110.80040	0.8
113.02411	1.4
150.03256	6.3
160.01601	1.0
161.09769	1.0
165.05589	8.0
175.04041	0.9
176.04793	3.0
178.02756	0.8
191.07227	1.6
193.05147	3.4
195.06602	3.2
220.03745	0.9
235.06126	1.2
246.91011	0.8
259.06125	1.0
431.13593	1.2
431.23029	9.1
445.20566	1.3
447.21442	1.9
471.84808	1.1
491.18106	3.6
491.25543	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	491.25
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	89.9
59.01381	88.1
69.63171	1.4
98.91717	1.7
99.04510	100.0
101.02438	20.9
107.08109	1.5
118.82041	1.7
125.02438	37.0
161.04582	2.3
214.96738	1.8
243.54169	1.6
283.51654	1.9
390.38794	1.7
491.03537	2.4
491.25150	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	491.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17652	2.5
57.03196	4.8
57.03453	100.0
59.01381	83.6
62.80738	2.9
64.78222	2.5
64.87575	2.5
65.97540	3.7
66.51897	3.0
71.01351	5.5
80.91678	3.4
99.04510	99.5
101.02441	19.7
110.54648	3.1
125.02461	25.6
170.54402	3.2
173.94623	3.6
202.50565	2.8
304.45212	3.2
360.01447	3.2
417.63168	3.5
491.25204	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	491.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03162	1.7
57.03451	92.1
59.01381	98.0
60.40379	1.2
61.63068	1.0
71.01374	2.0
81.03442	1.7
83.65367	1.2
89.02419	2.1
99.04513	100.0
101.02438	23.6
113.02448	1.6
125.02425	35.9
128.38237	1.5
129.74350	1.4
133.61162	1.2
140.07074	1.4
143.03528	1.6
196.96030	1.2
305.19705	2.0
347.20859	5.7
357.08533	1.2
389.22015	2.4
491.03168	4.7
491.25500	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	491.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
96.96054	5.1
99.00877	11.7
101.37453	2.3
103.92066	2.3
118.05112	4.4
138.10370	11.2
154.09848	100.0
205.07155	3.3
287.17242	45.4
445.55121	2.6
491.13867	8.8
491.21790	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	491.267
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41142	0.7
57.03449	18.2
59.01376	17.7
64.56965	0.9
68.94914	0.9
71.01369	1.1
71.02500	1.5
85.02925	1.3
93.45790	1.0
99.04511	20.1
101.02443	6.6
113.02483	1.6
115.08750	11.2
125.02420	5.4
125.07172	1.4
126.05566	2.2
141.06677	6.3
146.06119	12.5
168.07753	1.7
170.09360	4.0
179.11916	6.3
200.10825	1.7
214.15587	7.9
217.13419	1.6
227.11914	4.7
228.10378	2.0
245.12869	4.7
260.25983	1.0
262.15530	4.6
275.53781	1.0
326.18643	6.7
344.19742	2.0
347.24573	1.3
378.26392	1.3
389.25485	1.5
447.27963	1.1
491.26669	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.7
57.00937	1.0
57.03453	2.1
59.01384	1.7
67.03018	2.1
71.01367	1.9
72.00900	1.4
73.77352	0.9
74.02478	1.7
74.03573	1.7
74.06515	1.0
80.02531	2.3
81.04588	1.8
82.04086	1.7
89.02473	1.1
94.04097	37.6
96.05662	13.1
98.02483	1.0
99.00865	34.8
99.04522	4.5
100.04068	1.8
101.02429	1.6
109.06561	1.9
109.82889	1.0
112.05144	1.8
116.03542	12.5
118.05091	19.9
125.02414	1.0
125.09710	11.4
127.05158	5.0
127.11322	1.1
128.03519	2.2
141.30370	1.1
145.06186	1.7
151.45969	1.0
163.11259	4.3
171.07802	5.9
171.10265	38.9
175.08350	5.1
185.11848	10.9
197.11847	13.2
198.40472	1.0
199.13445	2.1
202.26221	1.0
204.27756	1.1
207.10266	2.2
209.11845	51.0
214.08797	1.2
220.14763	1.2
223.13484	1.2
224.12944	10.3
226.14452	3.6
230.12910	1.2
248.14035	12.1
249.12415	4.2
250.13274	1.9
251.14008	6.8
266.15146	16.5
267.16058	1.8
268.16684	15.7
284.16217	28.8
291.14651	1.6
326.88956	1.0
358.19870	73.0
447.19098	1.4
459.24667	30.0
491.21310	16.9
491.27426	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48219	2.0
57.03440	2.4
59.01378	10.3
60.81420	1.8
71.01352	1.9
71.49921	2.1
74.03587	4.4
80.85181	2.5
81.04595	2.3
89.02422	3.2
94.04110	25.7
96.05666	8.6
98.02492	2.6
98.90346	1.9
99.00875	33.8
99.04552	8.5
107.55833	2.2
113.02434	2.1
116.03506	8.5
118.05087	26.8
125.09718	4.6
143.00406	2.0
171.10287	28.3
175.08412	22.6
185.11867	5.1
197.11873	12.1
209.11870	39.6
209.81133	2.5
223.13359	3.4
224.12827	2.6
241.10806	2.8
248.14111	4.3
251.14014	4.5
266.15146	11.9
268.16660	16.5
284.16104	24.5
314.09506	2.3
358.19894	36.2
376.29364	2.4
381.03146	2.3
459.24564	29.4
491.20978	10.2
491.27383	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03969	0.8
54.81354	0.9
55.01875	2.2
56.47489	0.8
59.01373	6.4
67.03002	1.7
68.15158	0.8
71.01377	1.1
72.00906	2.2
74.02534	0.9
74.03584	0.9
75.00874	0.8
81.04550	1.2
81.28471	0.9
85.02934	1.2
85.68668	0.8
94.04098	27.8
95.80846	1.0
96.05670	10.0
98.02474	4.4
99.00253	1.6
99.00882	42.7
109.06582	1.5
112.05164	1.8
113.02424	4.5
116.03528	13.9
118.05090	20.4
125.02451	1.5
125.09724	12.3
128.03539	1.7
132.30473	0.9
163.11253	2.2
171.10265	30.8
180.13986	1.2
185.11821	8.1
197.11833	8.5
199.13345	3.6
207.10284	2.1
209.09859	1.6
209.11842	46.6
224.12962	6.6
226.14417	4.0
248.13988	7.2
249.12431	1.7
251.14037	5.5
259.06058	2.2
266.15070	9.8
267.07095	1.3
268.16696	20.1
284.16223	21.3
324.09332	1.0
335.86948	0.9
358.19882	40.1
449.19455	1.1
459.24689	100.0
491.17712	18.7
491.27029	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	491.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	19.4
68.32954	0.7
71.01390	7.8
71.23300	0.7
73.02946	1.4
81.43991	0.6
83.01382	1.0
85.02933	4.6
87.00874	3.2
88.98803	0.7
89.02419	2.6
97.02947	1.2
101.02424	5.6
111.10306	0.7
113.02431	3.4
113.93060	0.7
125.02403	1.4
182.85411	0.7
220.55608	0.8
229.33856	0.7
269.21228	5.9
287.22308	67.5
299.22318	1.5
301.24005	1.4
329.06662	1.5
329.23422	4.3
431.26538	12.2
449.27637	57.1
491.28677	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05464	0.6
57.03459	5.4
59.01105	1.1
59.01384	18.1
71.01382	7.4
73.02930	1.3
85.02934	3.3
89.02415	1.6
90.08401	0.6
99.00972	0.9
99.04498	6.1
101.02438	5.9
113.02444	3.3
125.02399	2.9
125.09708	1.3
127.11227	1.3
133.53197	0.8
139.11224	0.8
165.12877	1.4
167.14391	1.0
171.10307	5.7
183.13914	3.2
199.13438	8.4
211.13390	17.2
213.15033	0.9
229.14432	45.5
287.22382	10.4
293.21271	4.8
299.46774	0.8
311.22333	4.2
329.23346	18.8
391.19766	1.5
431.26498	8.6
449.27612	14.8
459.41211	0.8
473.26620	0.8
491.28680	100.0
506.36526	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	7.3
59.01381	42.3
61.98826	0.9
67.15011	0.5
69.20205	0.6
70.46550	0.5
71.01376	8.1
73.02940	3.5
80.22517	0.7
83.01375	1.4
83.45522	0.6
85.02937	3.3
87.00841	0.8
89.02425	0.9
95.42757	0.5
99.00853	1.5
99.04502	6.3
101.02425	9.0
113.02448	3.0
125.02444	3.5
126.93266	0.6
143.03441	0.7
269.21262	20.0
287.22272	7.8
288.08228	0.6
311.22452	0.7
329.23401	1.3
329.26868	0.7
343.35776	0.8
413.25568	5.4
431.26465	27.3
441.15231	0.6
443.03638	0.7
449.27502	7.7
488.84372	0.7
491.28665	100.0
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	Sphingomyelins
Peak:m/z	Relative Intensity
54.35667	0.1
55.05205	0.2
59.01378	2.5
71.01363	1.8
73.02940	0.9
75.71777	0.1
79.27539	0.1
83.01344	0.2
85.02942	0.6
89.02438	2.9
92.23170	0.3
101.02435	3.3
113.02445	1.5
119.03471	1.0
133.05101	0.2
137.76253	0.2
152.99548	0.2
161.04582	1.1
179.05574	0.3
218.53783	0.2
229.15503	0.2
235.08231	2.0
253.09308	9.1
255.23309	100.0
307.78452	0.2
491.32437	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40657	0.6
54.56512	0.5
57.75431	0.5
59.01382	100.0
59.40752	0.6
59.65668	0.6
60.70770	0.5
78.95963	0.6
83.61860	0.6
93.60389	0.6
223.17641	0.7
255.23355	7.9
282.50766	0.6
364.53909	0.7
398.43292	0.7
491.32172	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.33
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22780	1.1
55.98767	1.1
57.44841	1.2
57.84126	1.1
59.62228	1.3
63.54413	1.1
80.73292	1.3
92.31437	1.2
101.13499	1.2
116.08012	1.4
117.71730	1.3
122.26186	1.3
123.66868	1.5
124.01395	1.5
177.85701	1.2
235.10074	3.3
316.28131	1.8
328.50931	1.6
393.73950	1.4
409.34567	2.8
455.35379	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66581	0.4
203.33336	0.5
224.17763	0.5
235.10030	1.2
243.55278	0.5
409.34891	3.5
455.35385	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36430	0.3
57.03448	0.7
59.01385	3.3
61.39273	0.3
71.01360	0.5
71.05016	0.7
73.02921	0.6
76.25625	0.3
87.04507	10.4
91.64388	0.4
97.06602	0.5
118.19027	0.3
131.46330	0.3
167.29608	0.5
179.14429	1.9
224.99112	0.4
330.14679	0.3
351.27017	0.4
367.30142	0.5
369.31714	0.6
379.29932	0.7
381.17978	0.4
383.29474	0.8
385.31378	0.8
387.32648	0.8
395.29538	2.6
397.31131	8.2
401.30740	0.5
403.32281	0.8
415.32483	17.2
429.30048	2.4
431.31680	0.7
437.34323	0.6
441.29736	1.4
445.33493	2.1
455.31177	1.7
455.36057	1.6
457.33505	3.2
459.31348	6.6
471.34796	0.7
473.32492	8.2
475.34280	11.3
489.35928	17.3
491.37469	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11981	1.2
52.79644	1.4
54.20908	1.5
57.03450	22.4
57.17917	1.4
59.01382	9.2
71.01376	13.9
72.02163	1.6
73.02943	92.0
81.41981	1.7
97.06602	2.2
123.08128	2.3
179.49898	1.8
239.31891	1.7
337.29074	2.3
339.30371	1.7
351.30664	7.4
372.55023	2.5
395.33209	7.2
407.33209	17.1
425.34183	3.4
443.35327	3.0
455.35327	11.1
473.36472	45.5
491.30447	4.1
491.37500	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94807	0.7
54.00898	0.7
58.02987	0.9
65.91409	0.8
73.34728	0.8
74.02466	6.8
94.04102	1.2
94.87122	0.8
98.02454	1.4
99.00820	2.6
109.06567	6.3
118.05100	18.1
119.05029	2.0
127.05119	1.2
148.11302	1.6
152.07178	0.9
152.10796	13.0
163.03981	6.2
166.08743	1.5
166.12393	3.5
175.07253	1.2
180.06667	72.4
180.10254	3.6
209.11786	1.0
210.07538	1.0
210.11349	29.8
218.65529	1.0
241.16794	1.1
254.10298	1.9
334.83578	1.3
359.20193	1.3
417.16937	3.8
435.17719	16.6
460.25143	4.7
492.20010	100.0
492.27423	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	492.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68712	0.6
61.98829	5.7
78.95901	86.4
96.96948	7.6
98.98270	0.7
107.44997	0.7
117.73454	0.7
132.01118	0.8
140.01222	1.2
152.99591	24.9
153.55824	0.7
171.00647	38.8
171.11798	0.7
195.13924	9.4
196.03802	1.7
214.04797	1.2
230.10934	0.9
256.99905	0.8
277.21695	8.5
295.22784	22.9
298.24634	0.9
327.70309	0.7
418.23413	1.6
492.27338	100.0
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
50.72683	0.5
53.70924	0.6
61.98817	1.1
67.00333	0.5
68.04445	0.5
70.40087	0.6
78.76521	0.6
78.95906	100.0
87.52058	0.5
95.01927	0.6
96.96959	8.4
109.43755	0.7
121.93159	0.7
152.99596	34.4
171.00648	47.1
174.12584	0.7
219.98590	0.7
278.23456	0.7
318.27142	0.7
408.77695	0.7
418.23700	3.4
492.27353	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	492.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12593	1.0
55.12906	1.0
61.98832	2.8
65.97066	1.1
66.58616	1.1
78.95908	23.7
105.92002	1.2
106.52654	1.5
106.75620	1.4
113.09730	1.8
118.32941	1.2
140.01196	8.2
141.86127	1.3
152.99553	5.7
158.90942	1.5
162.10988	1.2
169.44728	1.3
171.00677	2.6
195.13892	27.8
196.03798	14.1
214.04927	2.2
277.21732	24.8
295.22812	61.1
377.00943	1.6
398.03915	1.5
410.09515	1.3
492.27399	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14144	1.4
56.25741	1.1
57.03452	100.0
57.14230	1.2
59.01381	70.4
60.61972	1.2
63.78393	1.4
71.01388	2.2
72.63808	1.2
99.04512	83.2
99.05164	2.8
101.02438	20.8
103.68860	1.6
113.02418	2.3
113.17613	1.3
125.02438	32.9
141.14459	1.5
143.03427	2.8
165.36674	1.4
263.14966	1.8
285.63525	1.5
305.16006	2.4
309.94495	1.7
343.46954	1.7
344.26694	1.8
347.17191	2.6
372.48376	1.7
391.23410	3.3
446.35913	2.0
449.20258	8.0
493.26419	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	493.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48126	0.7
57.03447	6.8
59.01101	1.1
59.01379	19.3
61.65081	0.7
71.01373	10.5
72.99296	4.3
73.02940	1.3
75.00874	7.5
85.02943	12.1
87.00832	1.6
89.02415	4.9
91.04001	1.0
95.01366	1.9
99.00886	7.6
99.04514	6.7
101.02421	4.7
103.00380	1.1
105.01884	1.0
111.00851	0.8
113.02434	17.9
117.01921	1.4
125.02438	3.8
127.07610	1.6
129.01938	1.3
143.03481	0.8
143.07104	11.9
163.11263	0.9
181.12384	7.4
197.11803	1.0
199.13408	66.6
233.21712	0.8
235.73494	0.9
249.06206	7.6
267.07220	4.8
287.05496	0.9
391.19876	1.3
475.18320	1.3
493.19223	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	493.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	100.0
59.01384	81.5
59.01685	2.6
64.03548	1.3
71.30077	1.3
99.04514	94.6
101.02431	21.5
119.47953	1.7
125.02431	30.7
143.03510	1.6
204.76843	1.6
228.76321	1.6
239.58632	1.7
263.14938	3.3
305.15970	3.7
347.17206	1.8
449.20343	7.8
500.78650	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	493.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	100.0
58.84324	1.5
59.01383	82.1
59.44444	1.7
68.73965	1.8
77.53053	1.6
92.23181	2.8
99.04517	97.0
99.05164	3.7
101.02429	18.5
106.54738	1.7
125.02451	31.1
143.03511	4.4
245.75803	2.0
262.47632	1.8
262.63043	2.4
263.15079	2.9
287.24524	1.8
305.16019	3.0
347.17773	1.9
362.39041	1.8
449.20322	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	493.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47046	0.5
50.96960	0.5
57.03441	2.4
59.01384	11.1
71.01389	6.9
72.99292	2.5
73.02917	1.1
75.00874	7.1
75.47127	0.5
82.35105	0.6
83.01369	0.6
84.28087	0.5
85.02951	10.1
87.00883	4.2
89.02425	3.3
95.01387	3.3
99.00882	17.3
99.04453	0.6
101.02435	1.2
109.06596	1.4
113.02443	13.1
115.00344	1.2
117.01944	0.7
125.09692	2.6
129.01909	0.9
163.11252	4.1
175.02480	1.1
181.12354	13.9
199.13403	10.0
201.11330	2.5
207.10295	15.0
225.11340	37.9
229.14410	0.8
243.12373	18.9
249.06175	7.3
263.13177	0.6
267.07263	1.1
317.16150	2.1
349.18207	0.6
361.22318	2.6
378.38708	0.7
433.24774	0.7
449.20639	1.3
493.19305	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	5.3
58.49850	0.5
59.01381	17.5
65.43626	0.4
66.32346	0.5
67.01878	0.4
67.32544	0.5
71.01366	8.4
72.01170	0.6
72.99294	2.7
73.02937	0.9
75.00867	6.2
75.78918	0.5
76.37164	0.6
76.45689	0.5
85.02945	9.0
87.00873	3.6
89.02421	3.7
95.01373	2.8
99.00877	22.7
99.04508	5.0
101.02459	2.5
103.00341	0.6
109.06587	1.3
113.02450	12.5
115.00352	2.3
116.92841	0.6
117.01948	1.2
125.02426	1.3
125.09702	3.1
129.01947	0.6
155.10805	0.8
163.11313	2.8
165.92575	0.6
171.10266	0.6
173.07195	3.0
175.02458	0.8
181.12329	9.7
198.62006	0.6
199.13388	5.9
201.11307	0.8
205.45860	0.6
207.10274	12.4
217.06093	0.8
225.11342	42.6
243.12439	31.7
249.06169	7.9
267.07193	0.7
271.07333	1.0
287.10367	3.3
317.16129	3.1
361.22363	1.1
475.17892	0.6
493.19400	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2211
Annotation	Microlenin
Peak:m/z	Relative Intensity
57.03445	4.3
59.01384	31.0
61.98825	4.1
71.01386	2.5
78.95903	3.0
86.54971	1.7
87.00858	2.5
88.09344	2.1
99.04549	1.9
101.02443	3.3
116.69457	1.9
157.46640	1.8
167.01060	2.5
167.14400	2.6
174.14040	1.9
181.73666	1.9
185.02167	4.1
193.15941	2.5
202.89116	1.9
207.17575	1.9
249.18575	58.6
249.20987	3.1
275.16476	23.4
281.21130	7.8
293.14264	3.4
293.17603	100.0
325.20187	53.6
433.28040	2.0
493.22098	74.6
493.28662	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	493.231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	33.9
58.49848	0.6
59.01384	41.5
60.33356	0.6
71.01381	10.9
73.02947	2.6
74.91884	0.6
81.03446	1.0
83.01389	1.2
85.02940	2.8
87.00858	0.7
89.02445	14.4
99.04511	31.2
100.04884	0.9
101.02431	17.5
113.02454	6.8
119.03473	4.5
121.05056	8.8
125.02437	11.4
143.03473	2.8
152.97035	0.8
161.04532	3.7
165.12848	13.1
183.13901	63.1
197.15468	13.4
205.83830	0.8
209.11870	1.4
227.12917	5.9
263.14990	1.3
276.56491	0.7
283.10413	3.7
449.20093	3.2
493.22961	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	493.231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	33.9
58.49848	0.6
59.01384	41.5
60.33356	0.6
71.01381	10.9
73.02947	2.6
74.91884	0.6
81.03446	1.0
83.01389	1.2
85.02940	2.8
87.00858	0.7
89.02445	14.4
99.04511	31.2
100.04884	0.9
101.02431	17.5
113.02454	6.8
119.03473	4.5
121.05056	8.8
125.02437	11.4
143.03473	2.8
152.97035	0.8
161.04532	3.7
165.12848	13.1
183.13901	63.1
197.15468	13.4
205.83830	0.8
209.11870	1.4
227.12917	5.9
263.14990	1.3
276.56491	0.7
283.10413	3.7
449.20093	3.2
493.22961	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	493.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24293	2.2
54.06706	1.7
57.03454	80.4
58.98700	2.0
59.01102	4.0
59.01382	58.6
71.01368	23.6
73.02936	2.9
74.02457	2.3
87.52357	2.0
89.02443	23.2
99.04519	100.0
101.02438	28.5
113.02436	14.5
118.05098	4.0
119.03461	4.9
124.27489	2.1
125.02423	36.1
135.04495	3.9
137.41960	2.4
143.03497	13.6
147.35605	2.1
161.04524	3.8
179.05562	2.7
180.06664	8.9
181.07028	3.7
349.18680	17.3
391.19885	19.1
449.23645	3.5
493.23160	69.9
493.38464	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	493.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	72.2
58.00595	1.2
59.01385	74.7
59.06554	1.2
61.25483	1.1
71.01379	23.0
73.02936	6.8
74.02460	2.7
74.70055	1.2
78.95916	2.1
83.01377	2.3
85.02940	2.9
85.59875	1.3
89.02443	22.8
95.01373	2.3
96.96032	1.6
99.00868	2.9
99.04517	100.0
101.02439	30.8
105.13791	1.3
110.98554	1.6
113.02444	18.6
118.05099	3.0
119.03541	10.3
119.04279	1.5
125.02438	44.7
127.31853	1.4
143.03517	5.4
147.69810	1.3
149.04597	2.6
161.04550	9.0
172.10490	1.3
179.05614	6.6
191.05023	2.0
221.06625	2.2
331.17590	2.8
349.18814	17.2
391.19824	15.6
431.22995	5.1
441.76520	1.6
449.24051	3.3
461.25290	8.6
493.23026	74.7
500.87964	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	493.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51351	0.6
51.00024	0.7
51.01729	0.6
51.19534	0.6
54.71835	0.7
57.03452	75.0
59.01382	83.1
59.77963	0.6
71.01389	3.5
73.02920	1.2
73.56382	0.7
81.03453	1.9
85.02950	1.1
89.02445	1.0
92.23110	1.3
96.96024	1.0
99.04512	100.0
101.02447	16.8
113.02431	1.8
116.92868	1.3
125.02439	41.6
143.03500	4.2
155.63029	0.8
161.04509	1.0
277.28033	0.8
304.86273	0.9
307.17667	1.6
340.39709	0.8
349.14862	0.9
349.18820	7.0
372.43860	0.9
391.19720	7.7
401.08633	0.8
431.22888	1.2
493.22903	10.8
507.42972	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16338	0.6
59.01369	0.7
63.91034	0.6
67.03024	1.0
71.01369	0.7
72.99300	0.7
73.04066	3.6
88.19624	0.7
93.04582	11.5
96.95991	0.9
97.04065	3.4
98.02464	1.2
105.04595	7.0
108.05661	4.1
114.05589	14.9
115.05125	36.1
124.69478	0.7
125.43824	0.8
127.05142	1.6
129.06725	0.8
129.29985	0.7
131.04860	3.3
132.05693	1.7
140.07150	1.3
145.06175	9.2
152.07205	1.0
169.09866	0.9
173.75327	0.8
180.06685	0.9
186.98302	1.5
188.11948	23.3
194.05852	1.7
197.04509	1.3
204.11415	17.5
205.14531	5.2
209.08257	3.3
227.14059	1.1
232.10916	53.2
245.14049	1.4
249.13620	3.2
271.09775	1.0
289.11041	0.8
291.26068	0.7
303.18311	3.4
304.17926	1.3
320.21036	1.3
348.17307	0.9
378.17749	3.2
421.12991	2.9
457.13760	1.7
463.23209	1.2
475.22574	1.0
493.11505	11.0
493.24231	100.0
512.96985	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.9
59.01385	7.1
60.34467	0.5
61.98826	1.1
71.01374	4.8
73.02938	1.2
76.96572	0.5
78.95901	0.8
85.02940	2.8
87.00871	0.9
89.02425	1.0
94.98073	3.7
95.92361	0.6
99.00880	1.0
101.02435	4.8
110.98511	1.4
113.02447	1.0
125.02480	0.8
167.01149	1.2
197.11874	1.0
209.11819	2.6
211.13344	1.1
240.86087	0.7
248.16667	0.9
304.19205	2.6
313.23868	4.0
325.20279	1.3
329.23431	0.8
331.24982	31.5
332.72388	0.7
382.64413	0.7
392.30090	0.8
450.76141	0.6
475.29163	4.1
480.75458	0.6
493.22363	13.2
493.30209	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38024	79.5
55.27673	74.8
55.47652	67.2
59.79882	77.2
73.62274	85.5
75.67088	77.7
89.22427	100.0
90.80027	82.6
95.76422	88.2
161.99986	91.3
166.11081	79.4
232.46260	87.7
259.40616	96.0
274.85498	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	493.346
Annotation	Unknow
Peak:m/z	Relative Intensity
68.51150	0.6
86.96568	0.6
89.73239	0.7
90.84606	0.7
97.40479	0.7
112.59511	0.8
224.38786	0.8
288.68539	0.8
344.99161	0.9
411.36267	3.4
457.36938	100.0
493.34958	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53194	0.3
55.33595	0.3
61.98834	100.0
63.14503	0.3
88.20144	0.3
88.99008	0.4
96.95998	3.4
117.80004	0.3
129.79813	0.4
130.90028	0.4
137.02477	0.7
150.57323	0.4
194.66847	0.4
431.12302	0.8
452.45392	0.4
494.11469	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30536	0.4
53.03841	0.4
59.78186	0.5
63.07623	0.4
67.86442	0.4
68.88396	0.5
74.02464	13.8
75.75272	0.5
93.03463	0.8
98.02451	0.7
99.00762	0.7
111.08138	10.8
118.05091	15.6
119.04993	3.3
136.07684	0.9
153.10280	0.7
155.98700	0.5
157.66446	0.5
159.08324	0.6
162.05553	2.6
163.03984	4.0
168.10257	3.7
180.06659	40.0
182.11765	0.5
194.11853	0.6
195.11266	0.6
211.14508	3.4
212.09305	12.8
212.12828	1.1
230.54747	0.7
242.33376	0.7
243.17184	0.6
256.11786	0.9
269.15091	1.0
274.14465	4.2
291.17175	0.8
301.19281	3.0
313.13998	5.1
313.19321	1.1
318.13800	0.7
328.56207	0.6
331.20279	0.6
336.14667	3.9
345.18042	2.1
349.21173	0.9
375.19089	2.2
393.20468	2.3
419.18219	14.4
437.19278	22.5
494.21429	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78814	1.7
52.01695	1.9
52.05959	1.8
59.01383	3.7
97.49739	2.6
162.15283	2.3
181.68224	2.6
225.15979	4.2
238.98184	2.4
433.31509	4.1
451.32944	100.0
494.33551	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	495.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15997	0.9
59.01384	52.4
61.44414	1.0
64.15231	1.0
68.93880	1.0
71.01376	19.3
73.02951	10.9
78.95893	1.9
79.19198	1.0
83.00420	1.1
83.01374	4.0
85.02950	12.3
88.33384	1.1
89.02455	9.2
99.00871	6.0
101.02444	26.9
110.98504	1.6
113.02450	13.7
126.59388	1.6
131.03471	1.5
143.03531	2.5
158.42360	1.2
159.02956	2.5
161.04558	13.8
167.01166	1.8
171.10272	7.7
182.50761	1.1
183.13788	1.7
198.90309	1.2
211.13437	4.9
215.16496	5.4
229.00349	1.2
229.14594	2.1
277.16611	17.8
327.21777	4.9
357.59607	1.1
377.21585	9.5
409.20911	13.1
435.22345	4.4
451.21942	100.0
453.97342	1.2
495.23926	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	495.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18859	2.3
57.03441	4.0
69.73041	3.0
70.11958	2.6
78.95904	50.8
83.01400	5.0
83.05030	16.1
85.02973	7.1
92.97843	2.9
93.03559	3.4
96.96965	3.2
97.06573	4.4
108.88240	2.8
110.98532	79.6
113.06059	2.9
119.55936	3.1
123.08190	5.6
125.09703	19.1
137.00089	15.2
137.09680	4.7
139.11304	4.2
151.11263	15.6
152.99562	13.2
155.10876	4.7
163.11340	5.1
165.12851	20.1
167.01147	22.7
167.10739	27.3
171.10242	6.4
181.12366	18.3
183.13786	3.6
185.02243	49.3
191.10922	3.4
193.12500	4.0
197.11833	19.1
209.11859	100.0
211.13344	12.3
213.71829	3.1
221.11777	3.6
237.08116	3.1
237.18867	3.1
239.13049	6.3
247.20651	12.6
273.18573	6.4
291.19711	88.2
309.20761	61.9
477.22681	23.9
492.09949	3.3
495.23550	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	495.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64246	0.8
59.01389	1.3
61.98828	4.9
71.01374	1.1
78.95902	15.1
79.91184	0.8
85.02924	6.6
92.22977	0.9
97.06574	2.2
108.33517	1.0
110.98522	15.3
112.30515	0.9
140.98259	0.9
152.99612	5.3
154.05591	0.9
167.01126	15.5
167.14384	1.3
171.10294	18.2
183.13901	7.5
185.02234	3.9
185.11800	1.8
189.49193	1.1
193.12300	1.4
209.11879	1.2
211.13416	33.5
221.11836	5.9
229.14452	26.5
239.13051	1.4
280.18069	1.1
291.19763	5.5
309.20749	1.1
327.21814	23.0
401.70953	1.1
495.23785	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11428	0.4
59.01379	4.2
69.64321	0.4
71.01375	4.9
83.05029	0.5
85.02940	0.8
87.00895	0.7
89.02421	5.3
96.95988	2.9
99.00883	0.6
101.02447	4.9
111.08144	24.0
113.02454	2.3
119.03426	0.8
141.92838	0.5
153.09186	1.1
155.07179	0.6
159.61154	0.5
173.08182	100.0
187.09731	2.4
197.08206	18.9
201.11360	0.5
203.39844	0.6
215.09253	13.8
232.04930	0.5
241.98851	0.5
275.11432	6.1
335.13550	15.1
497.18784	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	497.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21131	0.6
55.84812	0.6
61.98819	1.1
72.00893	3.3
74.02464	8.1
77.96494	0.7
78.95887	1.4
87.83184	0.6
93.03437	3.9
96.95984	1.5
98.07646	0.7
100.00401	3.0
106.04232	1.5
107.04996	1.0
108.94396	0.6
109.06590	4.7
118.05067	1.6
119.05009	5.5
122.09768	5.3
131.03749	0.8
134.06122	1.2
135.04509	3.2
136.07648	1.2
152.99562	3.7
163.03998	12.3
166.08740	16.9
180.06673	80.8
210.07762	5.1
228.14005	5.6
254.11848	0.8
272.12793	1.7
316.11920	7.2
497.19351	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11195	0.9
54.03052	0.7
58.92283	0.8
78.44034	1.0
78.95882	9.7
95.02261	0.9
99.08161	4.7
110.98526	13.6
118.56503	0.9
125.09744	1.2
127.11244	1.4
139.11266	3.8
157.96791	1.0
167.01138	15.9
167.14392	2.2
171.10292	9.8
183.13940	6.0
185.02159	2.3
193.12323	1.3
209.11865	1.6
211.13416	56.4
219.54219	1.1
229.14445	29.9
251.43410	1.0
293.21286	1.7
311.22433	1.5
329.23358	31.8
497.25250	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
64.53611	0.7
65.68490	0.7
68.49278	0.8
74.16025	0.8
78.95905	5.1
99.08143	6.4
109.91325	0.8
109.97872	0.8
110.98515	5.0
125.09686	1.9
126.48890	0.8
127.11278	1.8
140.38821	1.0
155.14400	1.0
164.63428	0.9
167.01164	4.1
167.14395	1.8
171.10275	3.7
183.13898	11.1
185.02176	6.4
193.12302	3.5
193.25932	0.8
197.11880	1.0
199.13382	1.0
202.63934	0.7
209.11818	1.8
211.13420	76.6
229.12199	1.5
229.14458	45.6
293.21219	3.7
311.22318	1.4
329.23373	49.9
497.25290	100.0
502.78555	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2117
Annotation	N-Acetyl-O-demethylpuromycin
Peak:m/z	Relative Intensity
55.32370	0.8
59.01365	1.6
61.98841	8.0
62.61130	0.8
65.22448	0.8
73.54093	1.0
74.03582	2.2
74.81079	0.9
78.95903	100.0
82.11432	0.9
89.39341	1.1
94.98058	5.8
96.47554	1.0
96.96952	24.1
118.05089	6.9
124.29983	1.0
161.65732	1.2
175.08310	4.4
212.13795	1.5
219.25960	1.0
240.02744	3.7
282.03885	52.7
433.58136	1.2
498.20981	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	498.22
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72757	1.6
55.13086	1.6
56.58810	1.5
57.03453	92.2
59.01104	3.0
59.01386	66.6
59.18626	1.6
61.98518	4.2
61.98832	100.0
63.33499	1.8
98.45723	2.1
99.04515	94.2
101.02435	23.0
125.02442	46.1
143.03467	9.0
161.04524	2.3
165.65904	2.0
168.00426	2.3
186.73975	2.4
291.18219	11.0
333.19244	18.2
435.22394	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	498.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81036	3.0
57.03452	83.8
57.36863	3.1
59.01379	80.0
61.07042	2.8
61.98830	73.9
63.07891	3.4
71.01383	4.2
78.95890	6.1
81.96514	3.0
99.04510	100.0
101.02426	30.3
125.02447	41.6
143.03555	5.7
155.46881	4.3
161.04468	3.4
246.89621	3.6
277.72885	3.9
291.18234	7.9
293.73260	3.7
333.19199	24.6
373.22253	5.3
373.26862	4.7
435.22406	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	498.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	26.3
59.01106	1.5
59.01384	28.3
61.98832	100.0
78.95916	15.2
80.61826	1.3
99.04514	35.6
101.02435	11.3
125.02426	18.4
143.03523	2.1
276.81787	1.5
282.03833	6.8
291.18051	3.1
333.19180	12.7
373.22205	1.9
435.22470	32.6
435.27991	2.8
439.32971	1.4
498.20996	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	499.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00656	2.6
54.65318	2.5
59.01379	64.6
61.98839	4.7
66.35279	2.9
66.64375	2.5
71.01385	28.1
75.00866	29.5
85.02960	19.9
87.00879	6.8
89.02441	8.2
92.23132	3.4
95.01357	3.3
99.00879	6.5
99.04493	4.4
101.02426	4.7
113.02429	48.1
121.03003	3.9
122.43803	3.4
129.01952	4.2
135.04524	6.3
149.82748	3.0
161.13342	17.3
168.28606	3.7
205.12465	7.1
221.29247	3.8
249.06052	16.6
267.07175	55.5
301.10809	31.6
439.08594	4.0
455.19244	57.2
463.16290	6.8
499.18378	100.0
499.25446	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	499.1464
Annotation	Nocardicin B
Peak:m/z	Relative Intensity
52.36539	1.5
57.03452	100.0
59.01381	86.4
59.79449	1.3
62.56462	1.8
65.57971	1.4
66.93625	1.5
71.01355	1.6
76.52476	1.2
88.08047	1.5
99.04510	97.4
101.02419	17.3
110.27468	1.5
125.02435	38.3
161.04578	2.8
209.76715	1.8
269.10306	2.1
330.43097	1.7
331.41882	1.7
455.15683	3.9
506.06406	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	499.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	70.5
59.01382	100.0
70.47121	1.4
71.01379	2.9
84.65553	1.3
99.00860	1.6
99.04513	90.3
101.02455	12.3
101.56381	1.4
104.00037	1.4
109.63306	1.3
113.02421	1.9
125.02425	34.5
161.04628	1.9
179.45476	1.5
199.06099	1.7
269.10156	2.0
417.80801	1.7
455.15442	3.0
499.17987	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	499.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63115	1.0
51.30311	0.9
54.09127	1.0
57.03438	2.1
59.01112	1.1
59.01384	23.2
71.01376	22.4
71.92954	1.1
72.99301	5.9
75.00867	16.9
75.87749	1.3
83.01376	1.1
85.02947	21.8
87.00880	11.8
87.17342	1.3
89.02431	10.3
91.04000	1.9
95.01374	5.6
99.00877	12.3
99.04484	1.7
101.02396	1.8
101.46944	1.3
103.00337	1.8
113.02450	51.4
115.00378	2.0
117.01933	1.8
129.01927	1.9
133.82857	1.2
161.13353	20.0
187.11206	2.1
205.12343	5.7
207.05061	2.1
231.05009	1.5
249.06163	18.9
260.06979	1.1
267.07248	61.6
272.67307	1.3
284.35153	1.4
290.78036	1.3
360.62506	1.3
455.19296	29.7
474.02197	1.3
477.08810	1.3
488.85303	1.3
499.18274	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	499.183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.8
63.19826	0.4
69.94922	0.4
70.33447	0.4
71.01382	8.4
72.57776	0.3
73.02945	4.7
78.56612	0.4
83.01391	0.5
83.33158	0.4
85.02953	1.9
89.02435	2.6
89.46027	0.4
91.56970	0.4
91.80949	0.4
99.00874	5.9
99.93920	0.4
101.02443	5.9
108.74776	0.4
111.08134	2.0
113.02461	6.4
125.02415	0.4
148.05307	59.4
149.06070	1.9
161.04558	1.7
163.07651	100.0
203.05437	0.4
231.81258	0.4
253.81638	0.5
254.35869	0.4
367.13882	1.8
399.65659	0.4
457.17209	9.6
476.90009	0.4
499.18246	46.8
499.32678	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	499.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37228	2.0
70.80214	2.0
71.01359	3.8
72.00926	2.0
74.68978	2.1
85.04059	4.9
87.00836	2.5
93.03437	10.7
96.00920	3.9
96.96008	2.2
99.00871	4.5
101.02425	2.1
115.00355	11.3
118.05099	15.9
127.07565	3.0
137.02423	29.7
138.52287	2.0
139.92584	1.9
150.06709	3.3
154.89711	1.9
155.35481	2.1
171.10239	4.7
174.01677	13.6
175.02480	18.3
185.11848	2.2
201.11351	3.0
210.15024	9.3
213.11433	2.2
220.17020	15.2
233.11729	2.6
235.13367	3.5
238.18187	17.5
239.12952	3.5
241.19495	2.1
251.12912	15.8
253.14406	3.4
264.16101	11.2
281.18732	12.0
290.14087	8.8
320.02011	2.5
324.18134	9.9
325.17749	35.4
365.20465	2.6
395.17868	2.8
398.23068	13.1
413.11121	2.8
455.20462	8.6
463.22714	2.5
499.19400	100.0
499.27783	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	499.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	4.4
69.44318	0.9
71.01408	1.0
74.02469	15.9
83.05036	1.2
85.02943	1.6
92.22593	2.2
93.03448	1.9
99.04529	2.0
101.02390	1.5
108.02166	5.7
111.08116	8.1
113.02448	1.1
119.05045	11.3
131.03784	1.6
134.06110	1.2
136.07629	1.1
152.01160	33.7
153.10388	2.2
163.04025	13.5
168.10324	7.8
169.82573	1.3
172.09827	2.7
180.06664	56.5
212.09343	13.2
274.14484	4.2
290.74136	1.3
305.18436	1.8
399.09018	2.0
499.14490	20.6
499.20956	100.0
516.19983	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	499.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03780	4.7
58.00554	4.1
59.01363	35.3
59.95749	4.3
64.21099	4.9
71.01389	7.3
73.02937	9.8
113.02427	4.9
133.38702	6.1
137.12541	5.4
243.27437	5.2
273.22296	8.2
277.21707	100.0
291.23425	45.1
319.22702	26.3
356.05734	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	499.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03780	4.7
58.00554	4.1
59.01363	35.3
59.95749	4.3
64.21099	4.9
71.01389	7.3
73.02937	9.8
113.02427	4.9
133.38702	6.1
137.12541	5.4
243.27437	5.2
273.22296	8.2
277.21707	100.0
291.23425	45.1
319.22702	26.3
356.05734	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	499.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.3
82.55724	1.2
87.86012	1.2
118.12897	1.4
120.34026	1.2
121.70516	1.1
134.44695	1.2
145.10071	1.2
151.81851	1.5
225.36742	1.4
226.18364	1.5
246.79329	1.4
267.09418	1.4
409.31125	45.2
427.29590	1.2
437.30569	6.4
455.31747	100.0
499.30704	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	499.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
67.78391	0.6
71.01370	1.0
71.05846	0.7
80.37693	0.7
91.04003	1.0
91.06509	0.7
93.03192	0.7
99.09195	0.7
103.60523	0.7
108.38102	0.8
113.02454	0.9
122.06867	0.7
132.33519	0.7
162.73997	0.7
199.13327	0.9
264.62241	0.7
269.21436	1.0
277.21786	11.4
319.22849	2.7
347.25912	1.4
365.27057	15.8
440.15125	0.7
499.32709	0.9
522.75342	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41799	2.1
53.28408	1.7
53.81475	2.0
53.95115	1.7
55.82921	1.8
56.10366	2.4
59.01382	100.0
64.82169	1.9
83.47606	2.3
101.73858	2.2
111.75992	2.1
125.77512	2.3
128.73853	2.2
145.06306	2.5
167.46304	2.4
168.41014	2.3
244.48929	2.6
248.18724	2.4
249.26035	2.8
258.16159	2.6
328.09756	2.6
361.03406	2.7
365.27005	15.5
416.90164	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	499.3647
Annotation	Cryptocaryol E
Peak:m/z	Relative Intensity
57.03433	0.8
88.75104	1.1
91.66927	1.1
97.06568	5.3
100.52226	1.0
123.08195	1.1
125.09712	100.0
169.08685	5.7
187.09770	34.2
243.12328	11.5
255.23308	75.0
255.26036	1.9
261.13464	10.3
343.42828	1.3
499.36447	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	499.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95790	0.7
51.11172	0.7
57.03447	1.3
70.47464	0.7
91.77618	0.8
97.06589	9.8
99.09972	0.8
115.37782	0.7
123.08157	4.6
124.59903	0.9
125.09711	100.0
169.08696	1.5
173.08310	0.8
179.94691	0.8
187.09763	42.5
243.12469	6.7
255.23311	78.0
261.13455	10.4
499.36469	65.8
503.93967	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.0
61.98831	100.0
74.78706	0.4
83.21773	0.4
86.58838	0.4
89.44998	0.4
118.25687	0.4
169.25513	0.4
257.60684	0.4
294.53583	0.4
324.55923	0.4
335.65396	0.4
346.64697	0.5
484.34622	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64674	0.6
72.99302	22.7
74.85390	0.6
91.05529	12.9
112.98569	0.7
117.03454	3.9
128.03539	7.5
131.05020	3.4
133.06564	8.7
146.04587	1.6
147.04515	1.0
149.06078	78.7
159.04515	1.1
163.04010	25.4
177.05580	24.9
185.02293	0.8
239.05624	100.0
261.03769	1.4
501.10083	24.4
501.25937	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	501.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74400	0.9
54.94277	0.8
59.01368	2.3
59.39115	0.9
60.45720	0.9
66.91192	1.0
88.49126	1.2
89.43714	1.2
103.18951	1.3
117.03409	5.2
119.05000	5.7
134.03743	31.1
137.02449	1.9
145.02950	82.2
149.06068	26.7
163.03995	8.2
178.02722	48.9
193.05067	100.0
206.13091	1.0
249.24403	1.1
272.83417	1.1
307.08273	25.0
501.14047	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	501.141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69538	0.9
58.15932	0.9
59.01381	17.0
59.10014	1.1
60.12254	0.9
63.53839	1.0
101.02457	1.3
108.03198	1.2
117.03448	6.9
119.05034	12.1
120.68515	1.1
134.03741	48.4
137.02440	6.6
139.04016	1.8
145.02956	100.0
149.06082	27.9
163.04019	15.9
172.90025	1.3
173.10687	1.2
178.02721	51.7
187.04086	1.6
193.05064	70.0
203.08231	1.5
212.39078	1.1
307.08264	28.7
418.63162	1.4
501.14087	82.7
501.20218	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	501.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00909	1.6
54.94278	1.3
59.01374	11.5
74.17006	1.5
85.02938	2.2
93.03421	1.5
97.67469	1.5
98.15592	1.4
117.03452	7.6
119.05009	8.1
134.03740	47.2
137.02411	8.4
139.46175	1.7
141.47238	1.7
145.02945	100.0
145.95143	1.6
149.06081	28.0
160.01622	2.4
163.03978	14.9
178.01254	2.8
178.02715	53.0
193.03342	3.7
193.05070	81.8
253.78989	1.7
307.08179	30.9
355.04398	2.2
386.06067	1.9
404.19632	1.8
501.14066	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	501.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02691	0.7
59.01386	8.2
61.04905	0.7
61.72598	0.7
70.24176	0.7
71.01375	0.8
77.41388	0.8
85.02904	0.8
92.22479	1.0
93.03458	0.7
113.79104	0.9
116.60287	0.7
119.05016	100.0
125.02442	0.8
132.02159	0.9
133.02945	3.6
134.03722	5.0
135.04512	4.7
137.02457	5.2
149.06076	1.9
160.01656	14.6
161.02438	31.5
163.04008	61.4
175.03998	47.2
177.05534	13.2
179.03474	4.9
193.05118	7.1
200.29980	0.8
221.04665	0.9
270.04834	0.8
323.07745	13.0
337.09344	23.7
479.49710	0.9
501.14069	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	501.152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48382	0.4
51.55143	0.5
58.02978	8.1
61.09331	0.5
70.02976	7.1
80.80000	0.6
91.05525	9.5
110.63334	0.6
113.54031	0.6
147.04533	19.0
154.47192	0.6
164.07176	75.1
202.72246	0.6
206.08235	100.0
245.72353	0.7
250.07227	2.7
272.79144	0.5
291.31561	0.6
334.24362	0.6
342.55289	0.6
381.96692	0.7
505.59756	0.6
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
59.01382	55.2
64.55864	1.5
70.03137	1.5
71.01392	6.2
91.75793	1.7
101.02422	2.0
113.02444	2.3
119.04980	2.9
136.43645	1.7
144.40063	1.6
145.02931	6.7
146.03748	39.9
161.06070	27.0
163.04001	3.4
164.04796	35.1
175.51024	2.1
179.07138	100.0
262.52930	1.8
279.12549	1.7
346.99438	1.8
457.17310	2.8
501.16489	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	501.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85952	0.5
57.03461	0.7
57.68314	0.5
59.01380	7.3
71.01389	1.0
73.02937	1.1
73.96992	0.6
74.02478	0.6
79.87788	0.5
89.02431	1.5
101.02442	1.4
101.06090	20.1
108.02174	15.9
109.02956	8.5
111.21101	0.6
111.73064	0.6
113.02457	1.4
135.69586	0.6
136.01628	2.7
151.04027	6.5
152.01158	100.0
153.01938	3.6
159.07817	0.7
161.29300	0.6
163.04045	2.4
169.45403	0.7
175.65594	0.7
183.30226	0.6
261.75891	0.7
342.11041	0.8
347.34369	0.7
357.13516	4.5
399.09366	9.9
457.20639	2.6
463.87646	0.9
501.16290	74.4
501.23346	4.7
526.53680	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37850	0.8
55.66517	1.0
57.03452	91.9
59.01383	100.0
61.18727	0.9
62.89364	0.9
68.10944	1.0
71.01384	5.6
73.02935	2.7
77.43874	1.0
77.60422	1.2
81.03447	1.7
85.02919	1.3
89.02427	1.1
99.04514	98.4
101.02444	20.2
113.02412	4.5
120.75937	1.0
123.05640	1.8
125.02450	30.4
125.03429	2.1
136.69997	1.2
143.03473	1.7
149.03539	1.2
167.04477	1.1
283.59280	1.3
399.20352	1.4
439.23242	1.6
501.24289	8.5
501.30905	10.1
529.16174	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	97.8
59.01382	62.8
59.01683	1.7
71.01380	7.1
73.02934	2.6
78.28465	1.1
80.26304	1.1
81.03462	2.7
87.00873	11.7
88.22101	1.5
89.02445	3.2
99.04513	100.0
101.02441	26.7
101.67133	1.3
103.25827	1.2
103.26586	1.5
107.52213	1.3
111.00944	1.6
112.98791	1.2
113.02409	2.0
125.02427	34.9
143.03563	2.4
146.61249	1.2
147.67888	1.2
152.25418	1.5
169.12335	2.4
197.11906	2.8
221.11845	2.0
223.13480	1.7
235.13489	4.8
237.14934	2.0
253.14407	1.3
258.63483	1.7
293.21393	1.6
386.46246	1.2
469.24701	2.0
501.27252	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	501.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69260	1.2
55.63871	1.3
59.01383	2.2
70.02990	1.9
73.04067	30.2
74.02472	3.2
78.95882	2.0
85.02950	2.3
93.73280	1.5
96.00922	10.4
96.95983	5.9
97.04067	11.0
98.02476	40.3
99.00867	2.3
102.23009	1.7
109.01685	2.5
114.01967	3.2
115.05121	85.0
118.05116	12.0
130.07768	2.5
130.08728	66.4
138.09250	35.8
139.08769	13.9
140.07143	7.6
144.32166	1.6
166.08710	37.0
187.14868	1.5
209.09407	3.3
209.11809	9.8
210.07762	2.8
225.16045	23.6
227.12950	4.0
233.16606	6.3
235.18138	22.9
236.16611	3.7
243.17204	3.7
261.16055	24.3
279.17151	15.3
323.16132	80.9
325.20187	21.2
439.21918	24.7
457.23083	9.7
483.24655	99.1
501.25629	100.0
506.36432	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	501.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08461	1.1
59.01384	100.0
71.01381	7.9
73.02944	6.6
78.94052	0.8
83.01397	1.5
85.02938	1.9
89.02432	9.1
101.02440	10.3
113.02429	4.5
119.03481	3.6
123.95576	1.0
149.04503	1.0
159.58990	1.0
161.04561	4.7
184.69057	1.1
215.09863	1.0
257.49274	1.0
272.37045	1.1
286.09348	0.9
317.79794	1.0
381.22876	3.9
386.65018	1.0
399.23981	10.9
411.61124	1.0
441.24982	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	502.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	0.7
68.39556	0.4
92.22538	0.5
100.90960	0.4
103.21530	0.4
107.05042	0.5
111.97266	0.5
118.57674	0.4
120.56584	0.5
123.04501	2.2
135.04527	21.5
161.02452	0.5
162.03271	1.0
175.13058	0.4
209.88586	0.4
247.08759	0.5
282.05380	3.6
296.07007	0.5
312.12421	2.7
322.10941	2.8
340.11923	100.0
502.17242	24.2
502.28302	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99495	0.9
53.06336	0.9
59.01379	2.8
59.33559	0.9
61.98824	2.0
70.35569	1.1
74.02470	37.3
75.42384	1.1
76.70386	1.0
84.04543	2.1
95.30322	1.2
100.00395	1.6
100.21355	1.1
102.05605	17.5
104.58202	1.2
105.85106	1.1
111.08131	14.2
116.05042	5.0
128.02580	2.4
128.03534	55.2
130.08713	1.2
146.04604	10.2
149.06012	1.2
150.09264	4.4
160.71550	1.1
168.10287	20.3
194.08194	1.6
203.08304	8.2
205.77057	1.3
212.09303	25.2
244.11951	5.9
253.15489	5.1
281.04367	1.2
329.17062	1.5
373.17685	13.6
484.20712	1.7
502.21991	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40335	0.8
52.73177	0.8
56.31984	0.9
61.98833	100.0
75.62223	1.0
81.04604	1.7
92.22487	1.7
100.15268	1.0
103.57507	0.9
109.04077	7.6
110.03586	4.5
118.77792	1.2
184.53801	1.2
202.18170	1.1
226.59331	1.1
287.09222	1.0
313.86841	1.1
416.20831	1.1
502.29306	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	502.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.36683	0.7
61.98833	100.0
65.02610	0.8
66.11749	0.7
68.43722	0.7
69.08119	0.7
73.03801	0.8
80.73299	0.8
115.85822	0.9
125.09633	2.6
128.31358	0.9
238.79366	0.8
334.18240	1.5
376.90424	0.9
437.72574	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73442	0.8
58.25385	0.9
61.98831	100.0
69.12859	0.8
69.69569	0.8
75.88643	0.9
131.03505	0.8
136.19775	1.0
146.65471	1.0
160.59549	1.0
166.04587	0.9
183.25192	1.1
231.96814	1.0
239.49213	0.9
365.05258	1.0
372.32462	1.1
453.05774	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1199
Annotation	Scoparin 6''-acetate
Peak:m/z	Relative Intensity
50.09490	0.6
53.56795	0.5
57.99346	1.3
58.02965	0.8
59.01387	6.1
62.30058	0.6
64.23535	0.6
74.02468	33.6
85.11179	0.8
89.02448	0.9
92.22527	0.8
95.64949	0.7
118.05102	15.9
147.57330	0.7
161.99699	0.7
165.01939	1.4
166.68599	0.8
175.07243	17.2
175.08672	1.2
185.11795	1.8
197.11858	3.0
209.11807	7.4
227.03520	4.1
228.04283	0.8
233.99954	0.7
234.75610	0.9
243.06587	1.5
255.02992	19.5
256.03775	6.5
269.04617	0.8
271.06052	1.1
273.78177	1.1
283.02505	100.0
284.03296	37.9
298.01413	1.7
298.04846	66.1
299.05630	87.2
327.21820	20.0
327.25388	0.9
378.02151	0.9
503.12051	86.3
503.29553	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	503.1197
Annotation	Rhamnocitrin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
50.24757	0.5
59.56070	0.6
66.50916	0.5
78.46900	0.5
86.42537	0.6
92.25282	0.7
99.47900	0.7
159.21382	0.6
165.01913	2.6
220.15862	0.6
227.03462	3.5
243.06679	1.0
255.03008	16.7
256.03726	2.6
256.58539	0.6
269.04453	0.7
271.06064	3.2
283.02490	100.0
284.03284	28.5
298.04852	64.9
298.07401	1.5
299.05624	67.8
503.12027	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	503.1201
Annotation	Scoparin 6''-acetate
Peak:m/z	Relative Intensity
56.26059	0.3
59.75654	0.4
60.76329	0.4
64.56662	0.4
64.70200	0.3
101.66885	0.4
102.49029	0.5
105.55543	0.5
127.72940	0.4
128.16049	0.4
128.44157	0.4
148.78653	0.5
161.99561	0.9
165.01930	0.7
166.90736	0.4
227.03484	3.6
228.04224	0.7
243.06699	1.5
255.03038	15.9
256.03821	4.1
271.06143	0.9
283.02496	100.0
284.00079	0.6
284.03281	31.1
298.04843	65.9
299.05637	68.9
439.50168	0.4
503.12030	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	503.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20553	0.3
53.91805	0.4
59.01382	12.0
69.46738	0.3
69.57438	0.3
73.02951	0.6
80.65122	0.4
85.02975	0.4
89.02481	1.8
91.01909	0.6
96.96018	3.1
101.02451	2.2
113.02463	2.0
116.92857	2.0
135.00906	5.1
135.04527	0.6
136.04918	0.4
139.75661	0.4
148.01691	0.8
153.01958	1.0
157.71187	0.4
161.04565	0.8
175.04012	0.8
179.05750	0.6
214.02711	1.8
217.07121	0.7
238.02567	0.7
239.03456	0.4
240.04265	3.2
255.02982	5.3
256.03796	3.2
266.02283	2.2
277.09332	1.7
283.02490	14.4
284.03287	100.0
298.04846	0.6
299.05627	52.2
340.11725	0.7
341.12238	3.0
503.11960	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	503.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.8
70.34022	0.7
73.14371	0.7
91.01878	5.4
118.05154	0.8
119.05020	48.3
135.00887	70.2
153.01941	30.7
153.02870	0.8
171.10295	1.5
193.09164	0.8
243.88847	0.8
255.06653	100.0
293.53052	0.9
304.40875	0.8
343.94962	0.8
392.70578	1.0
459.13065	54.8
476.66611	0.9
503.21170	3.8
514.03998	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20553	0.3
53.91805	0.4
59.01382	12.0
69.46738	0.3
69.57438	0.3
73.02951	0.6
80.65122	0.4
85.02975	0.4
89.02481	1.8
91.01909	0.6
96.96018	3.1
101.02451	2.2
113.02463	2.0
116.92857	2.0
135.00906	5.1
135.04527	0.6
136.04918	0.4
139.75661	0.4
148.01691	0.8
153.01958	1.0
157.71187	0.4
161.04565	0.8
175.04012	0.8
179.05750	0.6
214.02711	1.8
217.07121	0.7
238.02567	0.7
239.03456	0.4
240.04265	3.2
255.02982	5.3
256.03796	3.2
266.02283	2.2
277.09332	1.7
283.02490	14.4
284.03287	100.0
298.04846	0.6
299.05627	52.2
340.11725	0.7
341.12238	3.0
503.11960	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	503.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24765	0.7
56.05246	0.7
57.03451	1.6
57.56894	0.7
59.01382	6.4
59.18943	0.7
62.84640	0.7
70.74120	0.6
71.01376	12.2
72.99289	0.8
75.00864	15.7
84.56927	0.7
85.02950	6.7
87.00870	4.5
89.02435	3.7
96.96024	1.2
97.02915	0.9
99.00882	17.1
101.02440	3.6
117.33578	0.7
119.05012	25.4
129.01929	14.1
131.03445	1.0
141.01947	0.8
145.02985	1.6
145.13104	0.7
147.05141	0.7
148.13829	0.7
149.04578	3.7
159.03008	1.4
161.06143	1.1
163.04007	55.2
177.04037	16.5
179.03593	1.7
195.05069	4.7
205.05046	1.4
208.00130	0.9
211.58208	0.8
237.06013	0.8
296.45941	0.8
323.07635	1.0
341.08932	1.3
357.10336	1.1
503.14175	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64776	1.9
59.01390	3.4
59.92136	1.8
71.01382	20.7
75.00876	17.8
85.02943	4.7
87.00875	3.3
90.94951	2.0
96.96037	2.9
99.00880	3.8
113.02516	1.8
119.04984	17.8
128.03514	2.0
129.01920	9.5
133.25757	2.0
135.04503	9.5
142.56715	2.0
145.02956	11.1
159.02924	2.2
163.04018	45.3
171.09895	1.9
177.04068	23.7
179.03528	27.9
195.05098	4.0
264.10071	2.2
341.08789	8.9
381.24142	2.1
467.12219	3.6
503.14096	100.0
503.21069	7.6
523.89673	2.5
527.40131	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	503.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	3.1
62.47577	0.5
69.01426	0.5
71.01373	2.1
72.99300	0.8
73.02939	10.2
78.09155	0.7
85.02943	2.2
89.02439	0.6
96.96000	0.8
97.47899	0.5
101.02456	0.9
103.03362	1.1
103.04006	21.9
103.10437	0.6
108.02164	12.6
109.02934	8.1
113.02418	1.0
123.04440	1.1
135.04503	0.6
136.06421	0.6
152.01147	100.0
153.01985	3.9
163.03986	2.8
165.05479	0.8
179.03497	2.1
179.05580	2.4
192.06737	0.6
193.05031	0.8
202.31497	0.5
207.03075	1.2
241.07153	1.0
256.52679	0.6
285.06094	1.0
399.09317	21.3
417.10190	2.3
431.06503	0.6
444.94586	0.6
485.12820	2.8
503.14099	91.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74862	0.4
59.01381	1.7
64.06811	0.4
73.75919	0.4
74.02469	9.2
87.00883	0.5
118.05095	4.8
123.66218	0.4
129.09178	0.8
133.02942	0.5
140.76361	0.4
171.10329	0.6
175.07211	4.3
185.11848	2.4
187.96806	0.4
197.11853	2.7
199.13385	0.8
209.11833	4.8
225.05630	0.5
227.12982	3.2
241.05074	4.9
266.05829	0.9
269.04581	100.0
284.06931	59.1
284.10193	1.0
297.16147	0.5
299.09271	89.8
327.21756	10.3
367.25955	1.5
496.67673	0.5
501.23172	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1624
Annotation	Panose
Peak:m/z	Relative Intensity
57.03450	20.3
59.01379	4.2
60.33228	0.8
71.01388	1.6
73.02900	1.1
78.06805	0.8
89.02430	3.6
96.87279	0.9
99.04514	45.7
101.02444	16.1
113.02462	1.1
113.13065	0.8
161.04550	100.0
167.57784	0.8
179.05553	1.0
185.00121	0.9
208.82631	0.8
230.37610	0.8
249.35939	0.9
503.16388	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	503.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62014	0.6
51.99245	0.6
53.29506	0.6
54.47538	0.7
59.01389	8.6
61.98811	1.1
68.21870	0.7
70.21555	0.7
71.01361	4.7
73.02936	0.9
85.02967	1.3
87.00864	0.8
87.48707	0.8
89.02444	7.4
93.03427	1.1
99.00866	0.8
101.02428	4.9
103.03909	0.8
113.02419	4.0
119.03451	1.0
121.02960	0.8
130.44963	0.7
135.06589	3.6
137.02386	3.2
138.65878	0.8
139.54231	0.8
149.02461	5.7
164.04791	21.1
175.00337	4.3
179.05705	1.0
179.07133	2.9
190.02727	54.0
205.05070	85.6
208.03683	1.4
221.08212	3.3
223.06120	21.5
265.07172	5.4
278.18619	0.8
291.09253	1.0
309.20160	0.9
413.11151	1.2
425.25220	0.8
425.31812	0.8
503.17682	100.0
504.82730	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77566	0.8
57.03456	2.0
58.63697	1.0
59.01382	100.0
60.26681	0.7
71.01381	16.6
73.02937	18.0
83.01393	1.9
85.02948	5.5
87.00863	5.1
97.02922	1.4
99.00883	1.1
99.04498	7.5
101.02441	22.4
108.91048	1.0
113.02439	9.8
116.04840	0.9
121.06570	1.9
139.07632	1.2
143.03477	1.0
145.05029	1.7
159.02963	1.4
161.04564	10.3
165.09203	18.2
179.10786	1.6
181.08713	9.4
201.72507	1.1
217.07201	12.2
219.34315	0.9
221.11969	1.1
235.08247	13.0
277.09299	34.0
284.03329	1.7
299.05704	1.4
443.19199	4.0
503.11646	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	503.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
65.16181	0.9
82.81098	0.8
83.50611	0.8
83.80665	0.8
86.03363	0.8
87.04679	0.9
93.76103	0.7
98.38865	0.9
119.64543	1.1
124.49968	0.8
139.49916	0.9
155.80573	0.8
206.74049	0.9
219.05191	1.6
419.12036	22.7
437.12781	2.0
485.20389	1.1
487.18390	15.5
503.21524	100.0
505.19620	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	503.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13944	0.4
58.02979	0.9
59.01381	5.5
61.98825	0.6
62.13706	0.6
71.01389	0.7
74.02471	25.8
80.39410	0.6
95.05001	0.6
97.06590	10.8
98.02464	1.3
99.00918	0.7
100.00413	0.7
108.01814	0.6
116.05048	6.6
118.05096	16.2
121.79130	0.6
126.01991	0.6
136.07672	0.8
139.08748	0.7
140.07191	5.6
142.06570	2.3
153.10335	0.7
154.08719	5.0
157.09848	0.7
159.09268	2.0
161.04523	1.2
168.04282	4.0
168.10367	1.1
180.10268	0.6
181.12158	0.6
183.06631	1.3
186.05566	0.6
187.09760	0.6
192.04242	1.2
197.12938	2.9
198.07748	16.4
198.11357	1.2
203.08281	35.9
207.06601	2.7
210.07718	0.9
216.08711	1.3
225.12395	2.2
237.12431	1.1
242.10358	3.2
255.13463	2.6
273.14529	1.4
283.14523	2.6
299.12509	9.8
310.19147	1.0
317.13632	1.0
340.20383	0.9
344.16406	0.7
345.14563	3.1
354.18195	0.8
374.78287	0.6
384.19257	1.1
402.20425	0.8
428.18350	13.7
446.13260	1.2
446.19363	25.9
503.21555	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71630	0.7
52.18239	0.7
53.36430	0.8
58.02973	1.3
59.01375	1.9
60.10446	0.7
70.02994	1.0
71.01354	1.0
74.02467	11.5
75.19604	0.9
78.95895	4.2
96.95982	1.6
96.96949	1.2
98.02492	0.8
99.00883	3.0
111.08173	5.8
114.05573	1.0
118.05093	39.9
125.09697	21.7
126.01939	1.8
150.03220	1.1
152.99602	5.9
153.10277	1.1
165.05621	1.9
169.08646	1.0
184.00395	0.8
187.09756	29.0
211.14534	4.4
237.16220	1.0
241.01196	3.9
251.17638	1.3
256.11804	1.4
263.13937	1.0
265.15588	5.9
269.18668	1.2
276.17206	0.8
277.15640	1.3
280.16681	0.9
283.16672	4.7
295.16681	7.4
307.12930	0.9
309.14432	6.6
313.17773	4.7
321.14542	3.4
328.60632	0.9
339.15698	14.0
357.16727	30.6
389.19284	25.9
446.21503	22.9
449.23669	1.0
503.15518	36.5
503.23608	100.0
516.04327	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.2
59.01394	0.7
65.31757	0.6
67.01897	0.9
85.02940	0.9
87.00864	11.4
92.23159	0.6
102.54745	0.5
102.55485	0.6
111.00877	100.0
115.33138	0.6
118.05165	0.7
127.00263	0.6
137.14648	0.5
138.77518	0.5
173.00890	12.4
211.13449	0.6
300.47720	0.6
329.23203	1.0
340.27634	0.6
377.61856	0.6
503.25052	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	503.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
61.90990	46.8
69.54826	53.9
70.28580	50.3
76.41107	41.5
90.85011	47.9
100.06909	50.0
108.07694	59.0
177.99586	45.5
279.23239	100.0
328.74673	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	503.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99326	2.7
58.00608	2.1
58.02961	2.3
59.01378	7.3
62.28926	1.1
64.79512	1.3
67.43849	1.2
71.01382	1.4
74.02470	100.0
80.63445	1.1
82.10822	1.2
82.11304	1.3
82.15072	1.2
87.00875	4.5
91.46781	1.6
100.04033	2.4
102.05635	1.5
115.07613	5.2
115.56157	1.2
118.05096	45.1
118.06454	1.2
125.19453	1.3
128.03537	2.7
164.30052	1.3
174.01727	1.3
175.07230	71.4
185.11794	3.0
197.11899	9.2
199.13405	26.5
203.25847	1.4
209.11815	14.3
227.12917	50.8
228.16075	1.7
229.14415	2.4
240.43954	1.3
269.04587	1.7
291.19626	2.6
299.09274	1.5
309.20654	11.1
315.62158	1.4
327.21817	74.1
464.90753	1.5
503.22357	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	503.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99325	1.1
59.01371	4.5
63.51727	0.9
68.34657	1.1
74.02470	47.1
74.03608	9.0
87.00873	16.6
97.58564	1.3
98.02490	1.5
99.00879	5.2
99.08144	1.5
111.96473	1.2
118.05101	43.7
129.09233	11.7
133.06256	1.5
141.09175	1.9
152.79424	1.1
159.87637	1.1
163.11281	1.7
165.12770	1.4
171.10295	4.4
175.07204	33.7
175.08432	5.3
185.11848	27.8
197.11885	24.9
199.13356	9.7
200.87329	1.2
209.11853	69.4
220.33754	1.2
227.12903	23.9
291.19681	7.9
309.20703	8.9
327.21811	100.0
343.19266	1.5
362.16208	1.5
452.66135	1.3
503.30893	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	503.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99338	4.1
58.00592	1.6
58.02975	4.9
59.01380	1.2
59.98532	1.4
74.02468	100.0
98.02442	1.5
99.00870	1.6
100.04044	3.9
112.01272	0.8
118.05093	49.4
129.09204	3.1
141.09221	1.5
175.07242	54.3
185.11819	11.8
188.15820	0.8
197.11861	9.9
209.11833	28.5
227.12944	1.5
238.84973	0.8
255.03125	1.4
263.99847	0.8
283.02463	5.4
284.03314	4.4
291.19699	3.0
298.04883	6.2
299.05685	6.6
309.20715	1.5
327.21790	66.5
347.54343	0.9
492.24402	0.8
498.00305	1.0
503.12167	3.1
503.29840	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	503.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	1.6
59.01374	3.7
64.04337	0.7
74.03587	7.1
77.08872	0.8
84.57324	0.9
88.98769	1.0
98.02476	1.6
99.00879	3.5
100.75107	0.8
108.33738	0.8
115.07624	6.6
118.05095	21.3
123.08158	0.8
127.11363	0.9
129.09222	3.8
141.09225	1.1
151.98639	0.8
153.12842	4.7
155.10831	1.6
161.04425	0.9
163.11279	1.2
165.12843	2.1
167.10756	1.2
171.10222	3.8
171.13875	3.6
175.08395	6.2
181.12326	1.1
182.59479	1.0
183.13901	1.1
185.11848	8.5
197.11861	16.4
199.13411	46.0
209.11864	21.1
215.12878	2.0
227.12904	97.5
229.14473	6.8
264.03922	0.8
291.19791	8.4
299.22263	1.2
309.20688	15.8
327.21793	100.0
467.31866	1.1
485.29788	1.8
503.24292	1.1
503.30948	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	503.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73816	1.0
56.72278	0.8
59.01377	5.4
61.24030	0.9
62.66542	0.9
66.71344	0.9
69.12708	0.9
74.02480	7.3
74.03594	12.6
83.01789	0.9
83.05013	1.7
86.64306	1.0
87.00863	6.2
99.00890	2.3
101.02448	1.8
118.05103	37.6
125.31295	1.1
129.09221	11.9
133.06154	2.2
141.09239	5.5
148.54233	1.0
154.55960	1.0
158.69582	1.1
163.11317	1.6
165.12839	1.6
175.07178	5.3
175.08498	8.3
185.11842	34.6
197.11853	30.6
198.49222	1.1
199.13412	1.3
209.11852	68.8
227.12901	9.6
239.13394	1.1
291.19690	8.4
309.20715	5.1
327.21808	100.0
473.25922	2.4
503.30988	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	503.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	0.8
59.01373	1.3
71.01387	0.8
74.03581	1.5
83.04948	0.7
87.00871	1.6
102.86515	0.9
112.31696	0.9
115.07616	6.5
118.05095	8.1
122.41457	1.1
129.09189	1.6
141.90097	1.1
153.12845	3.8
155.14517	1.3
165.12740	1.1
171.13968	1.2
175.08302	1.4
181.12326	4.2
183.13864	1.9
197.11806	9.2
199.13422	47.8
209.11855	9.4
215.12976	1.6
227.12903	100.0
229.14417	5.2
247.20534	1.4
277.37729	0.9
283.02460	1.8
284.03418	1.2
290.81390	0.9
291.19623	5.4
298.04825	0.9
309.20825	17.1
317.28635	0.9
322.18362	0.9
327.21786	86.4
402.13870	0.9
503.11774	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.2
74.02470	3.7
84.04548	0.8
86.02458	3.1
90.38548	0.7
90.45809	0.7
102.05604	15.7
102.62778	0.8
111.07430	1.3
111.08147	24.9
128.03528	50.1
131.03731	2.9
132.04529	12.3
144.04570	1.3
146.04616	7.0
150.09242	0.8
153.50966	0.7
157.07707	5.4
158.06059	3.6
168.10269	2.8
172.09808	4.5
173.08205	3.0
175.08791	5.4
180.10277	3.7
184.04025	1.5
196.13426	0.9
198.11316	5.5
201.06697	2.9
212.09290	4.5
219.07706	10.4
224.09294	3.8
230.10344	3.2
242.10274	0.8
285.16617	0.8
295.14630	0.9
302.60672	0.8
313.15561	2.9
331.16879	2.9
357.14365	1.2
368.96204	0.9
375.15811	6.4
486.19174	1.4
504.19919	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53091	0.7
53.87199	0.8
58.02998	1.1
58.29799	0.9
58.47718	0.9
72.00899	4.3
74.02465	17.7
100.00371	1.4
109.06575	3.8
116.05040	11.0
118.06659	1.2
122.09746	7.7
134.09724	1.0
135.04526	1.8
136.65445	1.0
142.06622	1.7
147.04486	11.3
159.09239	2.4
164.07178	37.7
166.08727	19.9
186.05566	2.3
203.08284	38.4
210.07726	4.0
228.39249	1.1
251.15469	1.1
332.16864	1.3
339.13535	7.9
504.21475	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83186	0.4
55.87751	0.4
59.01374	1.0
59.24982	0.4
64.37766	0.5
92.23001	0.6
102.05616	0.6
107.01350	0.6
125.02446	0.5
128.03511	2.1
145.02986	0.5
151.00362	7.5
163.00363	0.6
164.00916	0.6
175.03960	0.8
178.99893	5.7
211.04028	0.7
222.31058	0.6
229.05042	0.8
243.03004	2.1
251.22900	0.6
254.02148	0.9
255.03021	16.3
256.03265	0.6
271.02502	30.7
272.03339	3.0
283.02448	0.9
300.02765	100.0
301.03574	23.4
301.06961	1.1
463.08932	0.7
505.09912	81.8
505.19907	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	505.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09756	0.3
57.03442	1.4
59.01376	5.8
61.36503	0.3
63.49006	0.3
66.41405	0.4
71.01394	1.0
73.02943	0.8
75.00884	0.3
85.02950	0.6
89.02442	0.6
95.07920	0.4
96.96016	3.1
98.58239	0.4
98.95595	2.8
98.96362	0.5
99.00896	0.5
99.04520	3.0
99.92570	7.4
100.90453	0.9
100.93389	2.8
101.02412	2.9
102.56960	0.4
110.79075	0.4
112.89201	0.4
113.02439	1.4
114.94926	2.7
115.92065	5.3
116.92851	100.0
117.66215	0.4
123.04531	2.6
125.02436	0.7
127.58693	0.4
141.93666	0.4
144.53571	0.4
145.98557	0.4
149.04668	0.5
156.95959	1.5
158.93903	1.8
160.01671	0.6
161.04568	2.3
164.07910	0.4
165.04068	0.7
167.03456	0.5
175.04056	3.1
182.97557	2.3
183.94717	0.6
193.05064	0.6
198.96986	0.5
200.94954	0.5
203.08281	0.7
225.11227	0.5
226.96524	5.9
242.96169	0.5
300.02710	1.9
301.03311	0.6
337.09360	1.8
343.04904	3.7
344.05624	0.5
361.06296	0.9
373.18619	0.5
391.58701	1.8
469.08228	1.6
487.09052	0.7
505.10184	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	505.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28482	0.4
53.74856	0.5
57.03463	0.7
58.53910	0.4
59.01379	4.9
68.48794	0.4
71.01382	3.0
73.02952	1.1
83.01379	0.4
85.02952	2.3
95.24120	0.5
99.04505	0.8
101.02440	3.1
113.02464	1.9
122.03736	12.3
123.04523	10.3
132.02164	1.0
133.02956	0.6
134.03745	12.3
135.04533	1.0
137.02441	1.1
149.06070	2.2
160.01656	47.9
161.02417	10.3
161.04437	0.7
164.74423	0.5
175.04005	100.0
178.02702	1.9
179.03520	1.0
193.05037	8.8
234.86436	0.5
239.95793	0.5
273.90649	0.5
327.68655	0.5
337.09332	3.4
461.14590	51.0
505.13510	40.7
505.25455	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.2
59.01389	7.8
71.01373	1.4
72.88691	0.6
73.02915	0.7
75.00861	0.6
80.91686	0.5
81.03446	0.9
83.01375	0.8
85.02940	0.8
89.02426	2.5
99.04554	0.9
101.02473	1.2
101.06066	0.8
107.15872	0.5
112.39884	0.5
117.67010	0.6
117.96905	0.6
120.89026	0.5
123.04526	16.8
125.02419	7.1
160.01662	2.1
163.95212	0.6
165.01964	0.6
167.03499	100.0
175.03986	3.2
191.03546	1.0
193.05188	0.8
197.59923	0.6
283.06232	0.8
300.02472	0.7
301.06390	0.7
301.87595	0.6
337.09293	4.7
362.52338	0.7
453.34128	0.6
497.54416	0.6
505.13394	16.9
505.19373	1.8
505.26450	2.0
505.34070	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	505.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.2
59.01389	7.8
71.01373	1.4
72.88691	0.6
73.02915	0.7
75.00861	0.6
80.91686	0.5
81.03446	0.9
83.01375	0.8
85.02940	0.8
89.02426	2.5
99.04554	0.9
101.02473	1.2
101.06066	0.8
107.15872	0.5
112.39884	0.5
117.67010	0.6
117.96905	0.6
120.89026	0.5
123.04526	16.8
125.02419	7.1
160.01662	2.1
163.95212	0.6
165.01964	0.6
167.03499	100.0
175.03986	3.2
191.03546	1.0
193.05188	0.8
197.59923	0.6
283.06232	0.8
300.02472	0.7
301.06390	0.7
301.87595	0.6
337.09293	4.7
362.52338	0.7
453.34128	0.6
497.54416	0.6
505.13394	16.9
505.19373	1.8
505.26450	2.0
505.34070	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	505.1355
Annotation	Streptonigrin
Peak:m/z	Relative Intensity
53.14475	0.5
57.03447	0.5
59.01379	12.6
59.33678	0.5
71.01389	1.1
72.11403	0.5
83.67329	0.5
83.77303	0.5
83.81902	0.4
88.31725	0.6
113.02412	0.6
114.48754	0.5
135.81520	0.6
174.40413	0.5
175.03925	0.5
242.11411	0.5
267.02957	0.8
268.00824	0.9
268.03778	67.9
283.06128	100.0
457.24792	0.5
505.20013	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	505.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04826	0.5
57.14519	0.5
59.01375	3.8
61.24839	0.6
71.01350	1.3
81.63345	0.6
85.02959	0.8
101.02436	1.4
108.02168	15.6
113.02441	0.9
123.04518	16.4
131.10799	0.7
133.02979	0.8
134.03741	8.6
135.04489	1.3
149.06075	2.6
152.01151	58.4
158.88951	0.6
160.01648	25.7
161.02461	7.2
164.07124	0.6
166.02744	0.9
167.03491	100.0
175.04001	52.7
175.05548	1.2
178.02657	0.9
179.03499	2.6
181.05037	0.9
193.05095	8.8
203.08200	0.9
223.46684	0.6
323.07828	8.4
337.09314	48.9
467.43854	0.7
505.13489	33.1
505.26379	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	505.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75868	0.9
59.01376	16.7
62.37893	0.8
64.50864	1.1
71.01377	13.2
72.99294	1.6
85.02934	1.7
89.02439	14.8
96.95995	1.4
99.00880	4.4
113.02406	1.8
125.02433	2.5
131.04633	1.2
137.99554	1.3
139.00407	2.6
148.51749	1.2
153.01929	100.0
154.02708	16.6
163.03993	1.2
167.03516	2.0
168.04282	72.6
169.05078	22.9
181.05122	1.9
193.04971	2.4
196.03786	1.2
205.07104	2.0
211.05888	2.0
325.09113	1.3
343.10458	1.3
373.11340	4.5
445.13477	1.8
451.56766	1.1
460.66888	1.1
461.12817	1.4
463.14761	6.9
505.15759	80.1
505.75879	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	505.1723
Annotation	4,6,2',4'-Tetramethoxychalcone 2'-beta-glucoside
Peak:m/z	Relative Intensity
50.21920	0.2
59.01368	0.3
91.05515	0.5
91.35085	0.2
93.03462	0.3
109.02941	8.2
121.02946	47.7
122.03728	15.0
122.04376	0.3
123.04503	1.7
135.04518	21.5
137.02397	0.4
147.04524	1.6
149.02467	1.7
153.05524	1.2
164.04802	7.0
179.07129	6.2
182.35370	0.3
195.05571	0.3
209.11844	0.3
227.07272	0.3
242.09465	0.5
244.07231	0.3
249.70590	0.3
271.06152	7.4
286.08484	11.7
301.10831	100.0
332.03247	0.3
388.53928	0.3
445.15488	0.5
467.29172	0.3
505.17291	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	505.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25990	0.7
59.01383	79.2
65.03964	3.8
71.01376	21.0
71.01738	1.4
73.02943	15.1
83.01386	3.4
85.02943	5.4
85.92681	0.9
86.52500	0.7
87.00871	3.0
89.02435	3.5
97.02962	1.1
99.00871	1.8
101.02438	19.4
102.42220	0.8
106.24674	0.8
113.02443	13.1
127.01889	0.8
133.63286	0.9
143.03532	1.3
145.05089	1.9
149.09694	9.9
153.09225	1.4
159.03043	1.6
161.04561	19.4
161.09715	10.5
167.10782	1.0
179.10768	8.8
203.05626	4.7
205.12289	3.5
217.07249	1.6
235.08244	10.1
241.14639	1.0
277.09326	5.2
323.15100	1.1
327.11844	0.9
383.17172	1.7
385.18634	6.5
403.19672	14.3
445.20828	100.0
505.24118	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.245
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02019	1.8
59.01375	18.0
65.94109	1.9
71.01382	2.6
72.99310	24.5
73.02938	22.0
75.00869	43.9
83.93491	2.1
105.01936	24.2
117.01933	68.6
131.75578	2.3
161.00928	9.0
197.11662	2.4
247.24576	2.6
251.10544	2.1
388.92023	3.1
458.05362	2.5
505.24368	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	505.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
63.18426	0.4
65.87064	0.5
78.95892	3.8
110.98522	6.8
112.39576	0.5
167.01129	12.7
170.79764	0.5
185.02176	2.0
195.23976	0.5
206.17996	0.5
217.73090	0.5
255.23303	100.0
332.53802	0.5
411.95929	0.5
423.25204	46.7
482.59906	0.5
505.25494	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	505.258
Annotation	Amoritin
Peak:m/z	Relative Intensity
59.01372	1.5
68.61720	0.6
69.46134	0.7
74.35045	0.6
78.95901	12.6
79.80187	0.7
85.03596	0.6
96.96033	0.9
97.49614	0.7
111.22839	0.7
142.44539	0.9
147.17325	0.7
152.99585	46.2
168.03712	0.7
171.00642	1.7
191.47578	0.8
227.03271	5.0
245.04434	1.2
277.21753	100.0
351.39633	0.8
505.25803	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	505.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.7
59.01378	10.9
66.60450	1.1
78.95882	4.6
82.69065	1.0
99.04491	2.1
101.02387	1.8
102.67149	1.1
103.01201	1.4
152.99582	11.2
173.67043	1.3
266.32901	1.3
277.21738	100.0
329.89185	1.2
436.48044	1.3
444.19489	1.4
445.31842	1.3
445.69421	1.2
505.25754	67.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32378	1.5
57.03452	99.3
58.05226	1.6
59.01099	3.3
59.01382	68.8
66.54328	1.5
68.82343	1.8
70.21779	2.1
71.01375	7.8
85.02940	4.5
99.00872	1.8
99.04513	100.0
101.02439	29.8
102.86623	2.1
113.02436	6.9
124.11417	2.1
125.02447	43.5
130.60100	1.8
143.03519	4.1
346.18713	1.9
361.26196	15.0
403.26956	12.1
505.30173	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	505.3026
Annotation	SCHEMBL2930610
Peak:m/z	Relative Intensity
51.12873	0.6
56.22099	0.7
57.03445	1.5
58.00919	0.7
59.01384	8.9
62.94332	0.6
70.40265	0.7
71.01388	8.2
71.63083	0.6
72.99284	2.8
73.74532	0.7
75.00861	8.9
82.97842	0.7
85.02938	13.8
87.00867	3.9
89.02435	3.0
95.01374	4.5
99.00872	5.8
103.00408	1.1
113.02436	13.4
117.01918	2.8
129.01842	0.9
164.30067	0.8
208.08366	0.8
249.06172	6.3
255.23306	98.7
351.16599	1.0
377.57019	0.8
397.40881	0.8
505.30246	100.0
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	SCHEMBL2930610
Peak:m/z	Relative Intensity
52.13703	2.3
58.08557	2.5
59.01381	12.4
69.34616	2.4
71.01369	6.8
74.09394	2.6
75.00854	5.8
79.54117	2.6
83.94881	2.5
85.02473	2.5
85.02940	17.1
99.00812	9.2
99.51877	2.8
110.14727	2.7
113.02454	13.3
120.17552	2.8
238.66055	2.8
255.23309	100.0
419.37354	3.4
423.25189	19.4
505.30362	78.9
519.62299	3.3
528.28564	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	505.3026
Annotation	SCHEMBL2930610
Peak:m/z	Relative Intensity
58.35400	0.6
59.01381	4.8
64.55908	0.7
69.03447	4.0
71.01376	12.3
75.00877	9.8
83.01381	2.8
85.02947	13.2
87.00887	4.7
89.02429	4.0
90.53316	0.6
91.03979	1.4
94.71217	0.8
95.01367	5.6
99.00883	15.2
101.18842	0.7
111.00894	1.0
113.02452	27.8
126.44685	0.7
131.03514	3.1
157.01544	0.8
170.97949	0.6
176.59782	0.7
231.40167	0.7
249.06213	6.5
255.23314	100.0
267.07300	2.5
309.58344	0.7
423.25311	1.6
505.30258	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88934	18.8
58.32966	20.4
58.69376	23.4
59.01376	46.9
65.91969	19.4
83.18994	27.5
92.36024	23.1
94.28500	22.2
103.62193	24.7
123.53262	27.4
147.33777	23.9
277.21680	100.0
344.64774	25.7
505.25330	31.4
528.96136	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	505.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72570	3.6
57.03454	35.5
59.01381	100.0
65.89806	4.3
67.42291	3.6
71.01366	6.8
78.09991	3.9
99.04506	44.0
101.02448	8.4
125.02456	16.3
154.37166	5.3
161.28279	4.5
180.93742	4.0
290.73938	4.6
310.88467	4.1
419.88998	5.1
445.31781	9.6
505.05124	8.5
505.30942	6.5
519.11694	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	505.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56759	0.6
59.01384	57.7
67.13073	0.8
71.01373	1.2
71.68493	0.7
83.72501	0.8
85.27278	0.8
102.26627	0.9
126.44797	0.9
216.29950	1.0
219.05629	0.8
257.21320	1.8
316.19873	1.0
419.26498	1.5
445.31726	1.1
461.27597	5.4
505.31775	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	505.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51236	0.5
55.01874	1.5
56.18219	0.6
57.03453	10.6
59.01384	42.9
67.15168	0.6
71.01379	25.9
73.02945	8.7
73.70474	0.7
83.01382	4.3
85.02948	12.2
87.00874	0.9
89.02438	16.1
95.01371	3.0
99.00870	4.0
99.04507	11.4
101.02439	28.7
111.00864	2.4
113.02441	14.8
119.03513	4.8
125.02443	5.0
143.03540	0.9
144.83415	0.6
146.33710	0.6
152.36551	0.6
159.02946	0.8
161.04578	4.4
179.05566	3.7
229.18130	5.3
237.34406	0.6
336.81296	0.8
343.28546	0.7
370.91614	0.7
391.23349	0.9
487.32935	2.9
505.27264	4.4
505.33868	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.5
57.03195	0.8
57.03453	15.7
57.35580	0.6
59.01383	41.6
68.03702	0.6
71.01380	26.9
73.02943	11.0
75.00861	2.5
81.03426	0.6
83.01377	6.7
85.02944	18.0
87.00862	2.8
89.02438	11.0
95.01366	3.3
99.00867	4.1
99.04510	15.7
99.35951	0.6
101.02439	33.8
101.06071	13.9
109.06564	2.7
111.00879	2.4
113.02439	14.0
119.03511	2.1
125.02435	6.0
127.07600	1.5
129.01889	0.9
140.33615	0.7
143.03493	1.5
159.02997	2.9
161.04555	3.8
165.01878	0.8
167.03497	1.4
179.05588	2.6
183.13779	0.8
229.18105	4.9
253.47597	0.8
343.28311	1.1
351.12881	2.5
362.88095	0.6
391.23318	3.4
445.28625	0.7
487.32803	2.5
505.19263	18.9
505.33887	100.0
527.65259	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.5
57.03451	29.5
59.01383	98.8
66.56841	0.8
70.83559	0.9
71.01377	44.8
73.02927	6.1
81.03480	0.9
83.01369	4.5
85.02946	12.1
87.00871	1.6
89.02438	48.7
91.70818	1.0
95.01364	4.0
99.00883	1.9
99.04511	29.5
101.02439	39.2
113.02436	25.0
118.19024	0.9
119.03500	16.7
125.02443	12.3
131.03374	1.0
143.03497	5.2
149.04500	1.1
159.02966	1.1
161.04539	5.7
179.05630	13.6
229.18056	1.8
235.94699	0.9
461.20108	3.5
487.32962	1.2
505.26270	5.8
505.33832	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15185	0.3
57.03445	0.6
60.49379	0.3
63.99337	0.3
66.06135	0.3
67.67516	0.3
83.05003	0.7
120.73473	0.3
135.08107	0.6
137.09668	2.3
138.06842	0.5
142.86186	0.3
150.36955	0.3
153.09225	1.8
155.10791	4.2
167.61443	0.4
184.89206	0.3
287.23779	0.5
423.33041	0.7
441.33569	1.9
459.34955	2.5
505.35446	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38026	0.5
53.27897	0.5
61.98834	100.0
103.92488	0.6
109.91203	0.6
506.19342	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03030	1.2
59.01384	27.2
71.01379	20.9
71.14420	1.1
72.00898	7.2
72.64423	1.3
72.99193	1.5
73.02949	1.6
75.91438	1.3
85.02910	2.8
89.02436	39.6
95.01447	1.6
101.02439	19.9
108.00847	1.3
113.02448	16.3
119.03445	13.8
122.14896	1.6
134.80003	1.6
147.04515	37.8
161.04521	6.4
164.05779	2.9
164.07169	91.1
179.05655	10.6
221.06711	6.1
333.91559	1.7
341.10919	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40561	0.4
58.90963	0.5
59.01363	0.7
65.99746	0.5
71.01408	0.5
71.43641	0.4
72.00927	0.8
74.02469	31.6
77.62309	0.5
87.51330	0.5
88.02372	0.5
91.05535	2.4
91.40571	0.5
92.23115	0.6
100.00411	0.8
101.02394	0.6
105.05849	0.5
111.08171	5.3
116.05042	11.2
118.06605	3.0
142.06578	2.8
144.48764	0.6
147.04514	7.8
150.09201	1.1
153.10333	5.9
154.08687	2.5
159.09279	4.1
164.07182	26.3
167.11882	8.9
168.10297	7.9
171.11414	1.3
172.09818	0.9
175.51581	0.6
185.12935	1.3
192.20470	0.6
193.39761	0.6
203.08292	21.0
212.09286	8.9
229.11923	0.7
232.98436	0.5
258.15005	7.8
271.18207	0.7
296.17740	2.5
297.16129	2.3
314.18839	1.0
315.17096	3.1
333.18430	1.8
506.22998	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00151	0.6
61.98815	2.8
64.32032	0.7
74.59045	0.6
78.95902	100.0
79.72021	0.6
82.67162	0.7
96.96954	9.3
111.13746	0.6
125.92903	0.7
151.74628	0.7
152.99593	25.5
171.00656	42.6
248.56056	0.8
291.28021	0.6
326.13480	0.6
385.92307	0.7
432.21353	1.0
460.21310	1.0
488.24246	0.9
506.25266	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	507.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10377	0.4
75.00863	23.4
80.42909	0.5
87.00869	2.7
93.03435	0.9
101.02446	0.7
105.01855	1.8
123.21736	0.5
129.01942	9.0
147.02983	2.2
165.04036	100.0
182.10597	0.6
209.06628	0.7
314.31818	0.5
382.78378	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	0.5
58.11341	0.5
59.01373	1.1
65.62293	0.6
69.95243	0.5
70.64643	0.5
72.99325	0.6
75.00867	21.7
79.35606	0.6
87.00871	3.0
89.02460	0.8
101.02364	0.6
105.01904	1.3
105.83135	0.6
127.71761	0.6
129.01929	8.8
131.04674	0.6
147.02983	3.0
148.02713	0.6
165.04037	100.0
191.88634	0.6
248.61452	0.6
276.75311	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.9
58.02971	1.9
59.01095	1.7
59.01381	33.4
67.49319	0.9
70.02972	1.6
73.02954	1.0
73.89940	0.9
74.02464	14.0
74.57211	0.8
85.06604	2.0
85.57065	0.8
88.97326	0.9
98.02465	2.1
99.04520	2.0
101.02457	2.2
102.53666	0.9
103.04042	0.8
113.06071	16.4
115.38748	0.9
116.03525	7.3
116.05045	3.7
122.32061	1.1
125.02400	1.3
131.07129	100.0
157.49155	0.9
159.11855	0.9
169.18770	0.9
173.08177	48.7
181.12402	1.0
193.05107	1.2
194.47849	0.9
199.13367	5.3
201.10390	1.6
203.08269	25.3
205.04674	0.9
243.12318	1.1
245.09314	36.1
316.66321	1.1
507.21310	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	507.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84127	1.4
56.28170	1.9
57.03449	85.4
59.01380	75.7
71.01372	11.0
71.76672	1.9
73.02939	24.7
83.01369	3.9
84.04450	1.8
89.02466	2.1
96.96005	2.2
99.04507	100.0
99.05155	3.2
101.02442	42.0
113.02447	8.0
120.43291	2.2
123.20444	1.9
125.02448	47.6
128.03519	1.9
131.72513	2.1
137.71011	1.9
143.03479	10.4
203.05627	8.1
216.29691	2.7
231.37711	2.1
304.68872	2.1
361.15045	4.5
387.69708	1.9
445.90775	2.5
448.98532	2.1
463.18167	14.6
507.20224	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	507.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	5.3
58.02978	25.6
58.46800	3.3
59.01145	3.2
59.01380	54.7
61.98832	47.8
68.01400	5.7
70.03014	3.9
71.01382	6.4
73.02953	13.0
89.02439	4.2
96.04558	32.6
96.95989	18.8
97.04049	5.0
100.04039	41.5
101.02445	8.1
103.00386	4.0
108.04518	4.9
109.02935	14.3
110.02467	5.5
110.06084	15.4
112.04008	17.9
113.02419	6.2
114.01914	4.1
121.02938	8.8
124.07676	6.2
124.75200	3.6
135.00877	3.7
136.04042	6.5
136.07655	4.1
149.09702	8.2
151.02678	5.1
151.81725	3.8
152.03508	17.6
153.02959	3.3
153.05640	3.2
162.05542	3.6
167.10751	17.1
169.06142	18.5
171.07761	62.5
174.09343	11.2
178.05101	17.8
178.81691	3.9
192.10257	4.3
206.03239	3.9
209.04637	3.8
215.06709	5.6
217.09891	7.5
218.08182	6.1
243.11339	32.9
248.09331	6.1
252.07776	4.5
255.11577	5.1
258.10699	4.3
261.08868	7.6
267.10333	36.5
269.09399	7.1
273.12329	4.6
276.06506	4.4
277.06918	8.8
287.10342	5.6
291.09937	29.0
297.11209	4.6
299.10324	20.2
317.11401	49.5
345.13449	15.6
349.14059	100.0
360.12045	4.6
387.16559	6.8
388.15219	3.8
420.17715	42.0
431.15634	37.7
445.17487	5.9
447.22327	48.5
463.18246	16.9
507.17303	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	507.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	98.3
59.01382	84.8
59.01680	1.7
61.96836	1.3
65.68164	1.5
71.01373	3.8
75.79613	1.6
81.03445	2.6
83.98302	1.5
85.02961	5.9
99.04513	100.0
101.00711	1.6
101.02444	18.3
113.02429	2.0
123.72079	1.5
125.02432	35.1
143.03464	2.8
258.97861	1.6
277.16489	3.1
319.17416	2.0
431.79843	1.7
463.21210	3.1
463.26556	2.2
481.78693	1.6
507.20941	2.2
507.32098	1.7
508.14395	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	507.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06403	1.2
57.03451	94.4
57.41447	1.2
59.01383	85.9
73.02961	1.5
83.01398	1.8
84.53245	1.3
99.04512	100.0
99.05165	3.4
101.02428	21.6
113.02465	2.3
122.67358	1.4
125.02428	36.7
143.03523	6.3
161.04533	3.2
199.69827	1.5
214.04422	1.5
273.09564	1.4
277.16434	1.9
278.10684	1.5
294.11102	1.6
319.17709	1.6
354.77298	1.5
363.23947	3.6
401.21555	1.6
405.24896	5.9
453.81897	1.7
463.22000	7.5
507.28192	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	507.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72953	1.2
52.19844	1.4
55.28458	1.2
57.03451	100.0
59.01382	84.4
72.97810	1.6
81.03458	2.0
85.02924	1.9
85.58128	1.4
90.89536	1.3
92.85798	1.6
94.33706	1.7
99.04513	99.0
101.02435	23.9
120.81372	1.5
125.02442	37.3
143.03453	2.4
157.43047	1.6
165.35588	1.5
277.16455	2.6
319.17661	3.7
361.18588	2.4
401.21909	2.3
463.22018	8.4
507.28067	3.8
507.35263	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	507.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80347	1.0
57.03452	100.0
59.01381	80.5
68.70538	1.1
69.29726	1.1
71.01369	2.5
74.02462	2.7
85.02967	1.3
88.70303	1.1
99.04516	95.3
99.61040	1.2
101.02427	23.1
101.89553	1.2
125.02433	34.7
131.44844	1.2
143.03520	2.1
164.07179	1.7
175.46356	1.2
204.08434	1.5
214.38850	1.2
218.39957	1.2
277.16586	1.6
319.17603	2.8
319.83759	1.2
405.25021	1.7
463.21902	7.5
507.01855	1.5
507.22568	10.2
507.29605	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	507.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.8
57.03431	1.5
59.01383	13.8
64.06382	0.7
65.76565	0.7
71.01360	4.2
75.00836	5.3
78.10928	0.7
85.02905	3.0
87.04481	0.7
88.67571	0.7
89.02406	4.9
91.85295	0.7
99.04467	1.3
101.02423	5.6
113.02383	1.7
115.07553	0.7
119.03441	1.1
125.02364	1.1
129.01894	5.2
135.67046	0.8
147.02921	1.6
149.04474	4.8
156.18399	0.9
159.31906	0.9
165.04034	14.8
165.11534	1.1
165.12846	29.9
183.13907	100.0
195.13853	2.8
197.91548	0.9
209.11731	1.9
213.14935	0.9
227.12886	24.1
359.16821	4.8
375.16144	5.9
375.20633	8.0
404.25952	0.8
507.20544	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	507.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01098	2.7
59.01383	48.5
60.10315	1.1
71.01379	26.5
73.02941	16.4
81.66608	1.2
83.01390	2.7
83.83991	1.5
85.02935	12.0
87.00847	1.7
89.02419	12.5
99.00873	9.3
101.02438	30.6
111.78345	1.3
113.02442	14.9
122.35824	1.2
131.03485	1.4
143.03542	1.9
161.04573	12.7
191.05588	2.0
208.31691	1.4
236.44888	1.5
247.20686	5.6
289.16602	6.1
309.20374	4.2
327.21942	9.8
345.22714	12.6
363.51086	1.4
421.20776	9.1
447.22482	19.1
463.21909	100.0
507.28250	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	507.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27511	0.8
54.62107	0.9
56.26971	0.8
59.01382	56.0
71.01381	24.4
73.02942	16.1
74.72916	0.9
78.95900	1.1
83.01380	1.4
85.02937	1.9
89.02446	34.2
99.00882	52.2
101.02445	18.6
113.02434	15.7
119.03468	8.5
125.02451	2.1
131.03494	5.5
134.63347	0.9
143.03448	1.2
149.04546	9.3
155.03497	1.6
165.73622	1.2
170.44730	1.1
191.05585	11.4
203.05507	1.7
233.06604	2.0
421.20837	6.9
447.22614	2.1
463.21918	100.0
490.57129	1.2
507.27795	4.9
510.24207	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	507.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56134	1.1
57.03451	1.9
58.66977	1.1
59.01382	85.0
62.92160	1.4
71.01379	15.0
73.02942	6.3
79.66638	1.1
82.95402	2.7
83.01373	2.0
83.40028	1.3
85.02969	7.2
89.02456	1.9
90.32995	1.3
93.89350	1.5
95.15079	1.4
99.00858	1.9
100.42041	1.3
101.02444	16.8
113.02438	8.7
120.60122	1.3
161.04568	1.8
283.06055	2.2
284.06485	2.4
285.06705	2.8
421.24521	1.9
463.25562	100.0
507.13077	2.1
525.16217	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	507.245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31852	0.8
59.01105	1.8
59.01384	38.8
60.72169	0.7
71.01377	36.9
73.02937	11.3
75.00874	1.0
80.45311	0.8
83.01384	4.2
85.02948	9.6
87.00883	1.7
89.02442	25.1
97.02956	1.0
99.00874	5.1
101.01789	0.9
101.02444	25.7
111.00846	1.6
113.02441	14.6
116.58372	0.7
119.03496	1.4
125.02465	1.8
131.03499	13.3
143.03557	1.6
149.04573	2.1
161.04590	8.2
189.82283	0.9
191.05580	1.8
276.40747	0.8
309.20798	1.5
315.18134	4.7
327.21753	4.0
345.22867	5.3
349.94302	0.9
447.22409	100.0
463.21954	5.2
464.19171	1.0
507.27679	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	507.245
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93679	0.7
57.03446	5.3
59.01100	1.7
59.01383	35.9
62.06947	0.9
71.01376	24.5
73.02934	7.4
74.41177	0.9
79.08118	0.9
83.01373	3.6
85.02956	9.4
87.00861	1.5
89.02443	20.0
96.95974	1.5
99.00863	1.4
99.04514	5.6
101.02441	26.2
111.00896	1.3
113.02444	15.2
116.92832	1.1
119.03500	1.4
120.66634	0.9
125.02463	1.5
126.09409	1.1
131.03481	9.3
133.25616	1.0
137.02466	5.6
149.04562	1.1
152.64384	0.9
159.03001	1.5
161.04556	9.4
183.13925	6.4
183.21738	0.9
215.16397	1.0
315.18216	4.9
447.22333	100.0
507.21906	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	507.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	22.1
59.01381	78.3
71.01376	31.0
73.02933	10.7
74.72253	1.2
83.20842	1.5
85.02940	7.1
89.02428	64.8
92.23133	1.5
99.00852	16.1
99.04506	25.9
101.02442	33.2
113.02428	11.1
119.03485	11.4
125.02406	10.9
131.03474	5.9
135.16736	1.6
143.03598	1.5
149.04555	8.4
165.12868	1.7
167.24492	1.4
183.13887	6.4
191.05608	3.8
283.02399	7.3
284.02777	10.8
285.03165	13.7
286.03574	13.4
287.03696	7.8
298.04880	3.0
299.05313	8.1
300.05649	10.7
301.05951	10.6
302.06052	7.7
303.06641	3.3
363.23648	1.8
405.24924	2.6
447.22366	100.0
463.25305	3.2
507.13013	34.1
507.20288	2.9
507.28165	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	507.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17282	1.0
53.82024	1.0
55.01896	1.0
55.21889	1.1
57.03163	1.6
57.03452	80.8
59.01382	100.0
71.01378	17.1
73.02947	5.0
75.00881	1.8
81.03441	1.4
83.01398	1.8
85.02960	5.5
88.98846	1.3
89.02445	17.9
95.01379	1.5
96.96017	2.7
99.00896	1.4
99.04513	89.1
101.02438	31.5
113.02457	12.0
115.07634	2.8
116.92854	18.7
119.03483	6.4
125.02444	36.9
129.01978	2.0
143.03523	2.3
149.04550	2.4
161.04575	2.0
165.04028	8.1
165.12881	12.6
171.40405	1.4
183.13898	45.6
195.13892	13.6
207.36809	1.2
213.14980	5.3
227.12891	11.0
281.75272	1.3
358.58261	1.5
363.20181	3.0
375.16739	3.5
375.20328	47.4
405.21359	5.5
447.25531	1.7
465.26883	2.3
471.52451	1.4
507.11395	3.9
507.25314	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	507.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87551	0.6
53.75688	0.6
59.01378	4.8
61.01300	0.6
71.84801	0.6
72.80338	0.6
72.99303	100.0
75.00838	0.9
78.95904	3.8
79.89624	0.7
87.00880	5.9
101.19608	0.7
105.01929	74.7
152.99504	1.2
160.99654	1.2
161.00920	23.5
171.00609	1.1
207.37001	0.8
244.04662	0.7
329.23206	1.0
507.26010	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	507.273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35212	0.6
58.75461	0.6
78.95911	7.0
121.96150	0.6
152.99583	30.2
171.00627	1.4
198.58752	0.6
223.98689	0.8
227.03276	3.4
233.43311	0.6
275.07736	0.7
279.23312	100.0
284.97308	1.0
369.99884	0.6
399.85495	0.7
507.27298	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	507.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97990	0.5
57.37114	0.6
59.01390	0.9
78.95888	3.6
83.76251	0.6
90.70909	0.6
131.81349	0.6
152.99586	9.8
159.93375	0.7
162.06924	0.7
171.00577	1.0
207.95012	0.6
213.07570	0.6
279.23306	100.0
310.56747	0.6
388.18155	0.7
403.02911	0.8
434.04364	0.6
507.27271	49.0
511.75983	0.7
513.53033	0.7
530.31702	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86043	0.9
56.41412	0.7
56.60057	0.7
56.68438	0.7
57.03447	7.6
59.01383	10.7
62.73393	0.9
69.46191	0.7
71.01365	1.3
74.02102	1.0
74.02459	8.5
79.95733	25.3
80.96508	5.8
85.02957	1.7
89.13084	0.9
93.03438	1.3
96.96001	12.6
99.04524	8.5
101.02441	4.7
102.18211	0.9
111.08150	1.6
116.05048	1.9
125.02436	3.7
137.02444	3.7
147.04504	1.2
148.04935	0.9
153.12805	1.2
164.07179	5.8
165.07466	1.4
167.11981	1.0
167.14513	1.0
168.10263	1.0
196.13411	1.5
197.11852	5.7
198.15128	1.2
203.08304	2.0
204.08577	1.9
210.14996	1.6
211.13356	5.0
214.14510	50.6
215.12955	1.9
228.16035	32.8
229.14397	2.2
242.17810	1.0
258.15024	1.1
264.15692	1.4
278.10681	57.9
286.73450	1.0
292.12271	100.0
294.10254	1.9
507.03067	1.3
507.22827	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	507.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35163	1.0
59.01380	26.1
59.08673	1.0
60.39405	1.1
67.43737	1.2
71.01372	21.3
71.35291	1.1
73.02945	7.0
76.92486	1.2
83.01392	2.1
85.02956	7.0
89.02440	8.2
89.88808	1.2
99.00861	5.5
101.02438	15.8
103.80998	1.4
113.02459	9.7
123.58674	1.3
136.50162	1.1
161.04556	2.6
161.78146	1.3
247.20734	7.5
265.21780	3.0
275.27383	1.5
285.92352	1.5
289.16562	1.4
291.19669	3.0
309.20728	16.6
315.18124	1.4
322.13501	1.4
327.21777	34.0
327.25290	1.8
345.22824	33.1
420.08417	1.4
421.20929	1.9
431.19312	1.6
447.22186	20.5
463.21429	20.0
489.27536	2.3
507.28296	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2814
Annotation	glas#20
Peak:m/z	Relative Intensity
57.03449	86.6
59.01101	2.8
59.01382	63.8
71.01366	9.1
73.02940	2.4
79.47915	1.3
85.02950	2.8
92.61401	1.3
99.00883	1.7
99.04508	100.0
101.02431	23.0
110.60837	1.4
113.02412	2.8
125.02446	39.6
143.03517	5.4
161.04538	2.4
206.97882	1.5
344.61130	1.4
345.22845	2.2
363.23926	13.1
405.24936	19.6
424.20123	1.7
463.29297	1.7
507.28253	32.3
507.35025	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	508.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41586	0.6
61.98830	0.6
78.95901	14.7
89.04546	0.7
89.97643	0.6
97.18732	0.7
113.09727	3.1
129.09196	3.8
140.01164	9.2
152.99594	2.8
167.14342	0.7
169.12378	5.0
181.12418	4.8
183.13884	1.2
193.12271	0.8
196.03796	14.9
197.11880	12.7
199.13400	7.8
211.13419	16.0
214.04906	3.5
293.21234	10.8
311.22287	19.5
508.26846	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92461	0.6
77.93841	0.7
78.95903	100.0
92.23039	1.1
92.57597	0.6
96.96944	8.4
119.93314	0.8
152.99586	63.6
171.00652	62.9
171.02185	1.0
182.02267	1.0
188.45512	0.9
197.02132	1.0
214.04861	1.3
291.00110	0.8
346.14313	7.9
392.18768	5.8
416.22101	3.2
420.17987	55.2
471.99435	0.8
490.25854	50.5
508.26917	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	508.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85759	1.2
52.44639	1.0
73.75026	1.2
78.95907	100.0
91.67460	1.3
96.96955	9.5
108.72314	1.2
108.80743	1.2
125.00105	13.0
152.99586	36.1
158.76453	1.2
167.01172	1.9
171.00647	52.8
173.98761	1.3
182.02249	20.7
197.02249	21.6
205.82623	1.7
208.03799	1.6
218.00975	1.4
224.03268	2.9
238.04918	7.3
268.05954	6.0
296.09015	8.8
310.10645	1.9
346.14313	1.7
380.14777	9.1
416.22086	2.1
420.17902	15.5
490.25803	53.9
508.26901	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	508.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93395	0.6
59.01374	1.2
61.98846	0.7
71.71951	0.6
73.61344	0.6
78.95901	91.0
84.00045	0.7
87.04499	2.6
89.53206	0.6
90.35465	0.6
95.59123	0.7
96.96962	5.9
140.01202	3.0
152.99585	28.0
171.00645	41.0
177.99609	0.8
185.99309	0.8
196.03888	1.7
223.17073	11.0
235.17044	0.9
276.03870	0.8
293.21259	0.8
311.22324	4.6
340.89130	0.9
434.23151	2.6
484.82059	0.8
508.26901	100.0
530.38446	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93395	0.6
59.01374	1.2
61.98846	0.7
71.71951	0.6
73.61344	0.6
78.95901	91.0
84.00045	0.7
87.04499	2.6
89.53206	0.6
90.35465	0.6
95.59123	0.7
96.96962	5.9
140.01202	3.0
152.99585	28.0
171.00645	41.0
177.99609	0.8
185.99309	0.8
196.03888	1.7
223.17073	11.0
235.17044	0.9
276.03870	0.8
293.21259	0.8
311.22324	4.6
340.89130	0.9
434.23151	2.6
484.82059	0.8
508.26901	100.0
530.38446	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	32.3
59.01378	26.2
71.01366	2.3
76.24668	1.2
89.02447	2.7
91.56961	1.2
92.22533	2.5
98.02486	1.2
99.04503	20.9
101.02464	9.5
103.53428	1.2
103.89653	1.3
112.88969	1.3
113.36457	1.2
113.67049	1.3
125.02440	5.1
145.07710	41.2
161.04549	14.7
170.07263	1.9
171.44023	1.5
188.08296	66.3
206.02335	1.3
214.09871	55.0
228.11418	2.4
238.09750	2.1
244.10913	3.0
251.59323	1.4
256.10931	33.4
268.10980	1.9
304.13153	21.3
322.10220	3.2
322.14099	100.0
334.08249	1.4
364.15228	7.7
365.14700	30.3
367.39600	1.8
449.15683	6.2
466.18378	20.3
509.19034	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	509.188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	100.0
59.01102	4.4
59.01384	97.8
63.97802	2.1
65.28096	2.3
71.01378	5.6
73.02962	3.5
77.01680	2.2
85.02969	3.4
99.04510	90.3
101.02435	24.1
103.00357	9.3
113.02438	3.1
125.02436	27.8
143.03540	2.6
161.04532	4.4
173.08072	2.2
178.02632	2.9
188.08299	3.0
193.05061	4.3
365.21573	3.6
465.19562	3.7
509.25784	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	509.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.3
57.03444	1.8
59.01383	100.0
71.01376	5.5
73.02945	3.9
77.88367	1.0
84.02195	1.0
84.55870	1.0
85.02945	7.9
87.00870	5.0
93.78638	1.0
99.00830	1.1
101.02434	9.9
112.01599	1.1
113.02455	6.2
123.04469	1.4
125.06166	1.8
137.02483	1.2
144.63113	1.0
159.03047	1.0
209.86874	1.1
232.12097	1.0
291.18149	6.7
405.21365	39.3
423.22327	17.9
434.71417	1.3
465.23550	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	509.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.0
59.01102	2.2
59.01384	48.1
59.25384	1.0
65.63697	0.9
68.10455	0.8
71.01385	18.8
73.02944	10.4
83.01383	2.2
85.02946	7.7
86.96655	1.0
89.02432	5.0
89.90586	0.9
90.61263	1.1
99.00877	6.4
101.02448	26.1
113.02451	13.9
117.59283	1.0
137.02271	1.1
143.03442	2.0
159.03030	1.7
161.04543	11.9
164.33646	1.1
166.22449	1.0
193.75510	1.4
203.44914	0.9
226.50882	1.1
273.16980	1.2
291.18240	16.0
330.47675	1.1
370.43683	1.0
405.21170	1.9
423.22223	7.9
465.23444	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	509.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24401	1.0
57.03420	1.2
59.01382	100.0
64.77067	1.1
71.01379	5.8
73.02935	2.9
79.01108	1.1
85.02945	9.2
87.00850	5.8
90.77912	1.2
91.28455	1.1
91.31012	1.1
92.23025	2.0
101.02448	9.0
105.63734	1.1
113.02435	5.0
123.04477	2.3
125.02423	1.2
129.12895	1.4
135.04469	1.2
159.02850	1.4
160.21181	1.3
161.04492	2.0
205.76260	1.6
256.74939	1.2
291.18103	3.2
405.21310	48.8
423.22302	23.5
447.49329	1.8
465.23511	21.1
509.25183	2.8
513.53351	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	509.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	84.3
59.01377	53.2
61.10332	1.5
81.03464	7.5
88.52507	1.8
91.02222	2.5
93.00143	3.7
99.04513	100.0
101.02437	30.6
117.00115	2.6
125.02462	16.3
143.01691	22.3
143.03499	2.3
157.03281	9.7
159.01184	2.6
161.04547	94.9
171.01186	2.6
183.01198	3.0
349.16901	33.1
365.20090	48.2
429.22403	2.2
491.23453	4.6
509.04449	11.5
509.17404	7.1
509.24301	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	509.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.5
59.01384	20.5
71.01389	11.1
72.94156	0.7
72.99334	0.7
73.02946	3.4
75.82359	0.6
83.01375	1.8
85.02951	5.9
85.95970	0.7
87.00890	2.9
89.02438	6.6
97.02872	0.9
99.00854	0.9
99.04537	1.1
101.02439	9.8
111.00881	1.0
113.02421	6.0
125.02451	1.6
143.03508	0.7
145.90642	0.7
183.13838	0.9
197.15405	1.3
215.14433	1.4
215.16536	36.4
257.17465	0.8
312.69025	1.0
359.20743	5.9
377.21835	100.0
391.23495	1.8
449.28131	1.0
465.73123	0.9
509.26129	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	509.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.5
59.01384	20.5
71.01389	11.1
72.94156	0.7
72.99334	0.7
73.02946	3.4
75.82359	0.6
83.01375	1.8
85.02951	5.9
85.95970	0.7
87.00890	2.9
89.02438	6.6
97.02872	0.9
99.00854	0.9
99.04537	1.1
101.02439	9.8
111.00881	1.0
113.02421	6.0
125.02451	1.6
143.03508	0.7
145.90642	0.7
183.13838	0.9
197.15405	1.3
215.14433	1.4
215.16536	36.4
257.17465	0.8
312.69025	1.0
359.20743	5.9
377.21835	100.0
391.23495	1.8
449.28131	1.0
465.73123	0.9
509.26129	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	509.2887
Annotation	CHEBI:68981
Peak:m/z	Relative Intensity
58.13190	0.5
63.34973	0.5
69.68922	0.7
72.42439	0.5
78.95892	5.2
96.21142	0.7
116.92877	0.7
127.49298	0.5
152.99579	24.9
171.00616	0.9
178.88396	1.2
180.90190	0.7
196.89497	11.9
227.03290	1.4
272.04224	0.7
281.24878	100.0
341.61035	0.7
374.23395	0.7
398.40262	0.6
441.11511	0.7
509.16226	4.9
509.28879	66.5
523.69543	0.8
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	CHEBI:68981
Peak:m/z	Relative Intensity
50.46939	0.7
52.72895	0.7
58.40491	0.8
71.74205	0.7
78.95903	8.1
81.97769	0.8
98.15115	0.7
137.21928	0.9
141.61349	0.8
152.98470	1.5
152.99576	20.5
171.00618	1.2
192.72800	0.8
196.89499	19.2
200.54904	0.9
210.89308	0.8
218.46457	0.9
227.03114	1.0
281.24875	100.0
502.00342	1.1
509.16287	5.8
509.28897	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	511.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54703	1.9
54.56857	1.8
57.03450	100.0
58.03712	2.0
59.01382	46.5
61.98829	5.9
64.70617	2.3
70.43599	2.7
75.26015	2.1
77.36758	2.3
87.00879	12.2
94.15223	2.0
99.04517	86.9
101.02431	14.0
113.31771	2.2
125.02442	45.8
143.03517	5.9
367.15253	2.9
467.20645	3.4
511.19067	23.8
511.26031	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	511.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29069	1.8
56.57895	2.1
57.03452	85.2
59.01383	38.2
61.98840	4.8
77.28625	2.1
78.72684	2.1
80.30102	2.2
88.87684	2.3
88.98791	2.7
99.04510	100.0
101.02431	14.4
125.02444	49.6
150.07632	2.3
227.73126	2.6
310.22559	2.8
413.93069	2.7
474.53848	2.9
511.02234	10.4
511.19437	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	511.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	15.8
59.01377	21.3
71.01373	18.2
73.02942	8.8
83.01379	2.5
85.02946	7.8
89.02433	6.8
96.96000	2.4
99.00853	6.6
99.04501	14.2
101.02439	21.0
108.88785	1.8
113.02456	19.5
115.00659	1.5
116.10332	1.6
125.02444	6.9
131.03487	2.7
139.91432	1.7
143.36526	1.8
159.02968	2.6
161.04515	23.7
165.98273	1.4
235.11884	33.2
349.15097	8.5
367.16132	100.0
409.17090	7.2
451.22092	2.0
511.20221	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	511.24
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.6
57.03447	1.5
59.01103	0.8
59.01381	14.5
68.16204	0.7
71.01376	12.7
72.99294	0.7
73.02936	3.7
75.00867	5.7
82.53145	0.7
83.01383	1.3
85.02934	7.2
87.00874	1.3
89.02435	5.9
95.29153	0.7
99.00877	1.3
101.02434	12.7
113.02435	5.4
114.66101	0.7
119.03493	1.2
122.84076	1.1
129.01915	1.8
147.02991	5.0
167.12248	1.0
167.93622	0.8
183.13879	1.4
201.14978	37.4
209.11821	1.8
313.11136	0.8
345.19229	6.0
363.20285	100.0
363.69620	0.8
451.29285	1.1
479.17188	1.6
481.93842	0.9
511.23932	89.2
535.47662	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42894	0.5
60.62198	0.6
63.24240	0.6
78.95901	8.7
99.08157	7.2
110.98514	11.7
121.10234	3.1
125.09715	1.1
127.11255	1.0
137.09674	1.3
138.23152	0.7
139.11296	1.6
149.13318	1.0
167.01140	13.3
171.10272	48.1
185.02187	3.8
191.83879	0.6
193.12344	14.1
211.13379	2.4
225.14984	27.6
243.16010	9.0
244.15096	0.7
245.25058	0.7
293.21164	2.5
310.24109	0.7
343.24921	33.6
346.36414	0.8
479.18741	0.8
511.26828	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89517	0.4
59.01374	0.5
69.03458	0.5
69.84328	0.4
70.82492	0.4
73.51353	0.5
78.95899	8.0
83.05005	0.5
99.08141	7.9
109.75410	0.6
110.98520	11.6
112.91933	0.5
119.21025	0.5
121.10213	1.9
125.09702	2.4
127.11266	1.1
128.00914	0.5
139.11284	2.0
142.12286	0.5
149.13376	0.6
151.11324	0.5
152.99503	0.7
159.69946	0.6
167.01126	13.2
171.10263	33.4
185.02203	3.4
192.56650	0.5
193.12332	22.1
197.15601	0.7
211.13417	5.0
225.14963	33.0
243.15990	10.8
248.56714	0.6
293.21216	3.4
324.05630	0.5
343.24921	35.1
511.26794	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28713	0.5
57.21401	0.4
59.01395	4.3
61.98843	0.7
68.09283	0.4
70.66678	0.5
75.98437	0.5
95.55334	0.5
101.65121	0.5
105.69164	0.6
111.08143	0.6
120.14877	0.6
134.17348	0.6
135.80196	0.6
165.12820	15.3
183.13901	100.0
209.11815	1.0
213.06169	0.6
227.12946	5.5
301.16571	2.6
360.02682	0.6
393.13791	0.6
395.14551	0.6
463.40659	0.7
467.29880	0.8
475.32440	0.5
493.27975	0.7
511.29160	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	511.3045
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42804	1.0
55.57053	0.9
56.35224	0.9
58.28685	1.0
60.42297	0.9
63.46797	0.9
75.45614	1.0
75.74731	1.0
78.95901	5.4
116.92835	2.1
141.40373	1.2
152.99583	21.6
159.82892	1.1
184.19579	1.2
227.03264	1.4
283.26450	100.0
511.30441	67.4
511.38034	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	511.35
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52750	0.5
54.90233	0.5
57.06219	0.5
57.42837	0.5
59.01381	32.5
64.75433	0.5
71.01405	0.6
78.29586	0.5
85.02925	0.6
92.23116	0.7
101.02443	0.6
112.07670	5.6
113.06096	0.6
129.10327	3.5
130.08754	8.6
207.15045	6.1
224.17677	3.6
225.16069	16.6
243.11389	3.6
276.78720	0.6
320.23474	1.2
337.26218	5.4
367.16296	1.1
372.68802	0.7
382.56219	0.7
402.41531	0.6
433.31918	14.3
451.32932	100.0
467.39948	0.7
511.14890	0.9
511.22327	0.9
511.34952	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	511.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	62.3
60.69145	49.3
62.17906	66.6
66.43972	64.1
66.49336	53.2
70.58011	50.5
74.29086	50.2
82.43596	58.5
106.55857	57.9
123.82817	53.9
283.26468	100.0
332.78452	64.3
387.25653	73.1
422.66595	70.1
511.24258	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	512.204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54047	0.8
57.90607	0.8
59.01359	1.2
69.53912	1.0
93.77308	0.9
101.34800	0.9
110.06084	7.9
121.05313	5.6
122.06113	13.9
127.89872	1.2
132.74564	0.9
144.04527	8.3
160.04034	7.6
168.08675	1.1
172.04022	12.3
173.04834	4.0
203.05878	8.4
204.06635	18.7
204.31831	1.0
209.81184	1.2
236.09514	1.1
237.10413	6.3
240.08983	1.3
251.11926	17.6
252.12611	11.7
253.09964	2.4
254.10809	1.2
255.11395	1.8
266.10651	1.4
267.07779	10.8
267.10379	1.2
268.08585	6.0
268.12137	8.5
278.10626	1.4
279.11435	1.1
280.08527	5.3
281.09302	22.7
295.10883	20.9
296.11655	53.0
297.12506	1.6
299.10333	1.5
311.10422	2.4
312.11002	1.8
313.12021	4.3
325.11887	1.1
328.10687	18.2
328.14188	1.7
329.11426	2.1
340.10822	1.2
343.13013	1.3
363.11722	1.1
374.18777	6.1
406.17816	6.4
418.17838	18.6
436.18900	12.7
458.66977	1.2
462.16837	1.7
468.21097	1.1
480.17804	100.0
512.20459	82.5
512.28052	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	512.204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54047	0.8
57.90607	0.8
59.01359	1.2
69.53912	1.0
93.77308	0.9
101.34800	0.9
110.06084	7.9
121.05313	5.6
122.06113	13.9
127.89872	1.2
132.74564	0.9
144.04527	8.3
160.04034	7.6
168.08675	1.1
172.04022	12.3
173.04834	4.0
203.05878	8.4
204.06635	18.7
204.31831	1.0
209.81184	1.2
236.09514	1.1
237.10413	6.3
240.08983	1.3
251.11926	17.6
252.12611	11.7
253.09964	2.4
254.10809	1.2
255.11395	1.8
266.10651	1.4
267.07779	10.8
267.10379	1.2
268.08585	6.0
268.12137	8.5
278.10626	1.4
279.11435	1.1
280.08527	5.3
281.09302	22.7
295.10883	20.9
296.11655	53.0
297.12506	1.6
299.10333	1.5
311.10422	2.4
312.11002	1.8
313.12021	4.3
325.11887	1.1
328.10687	18.2
328.14188	1.7
329.11426	2.1
340.10822	1.2
343.13013	1.3
363.11722	1.1
374.18777	6.1
406.17816	6.4
418.17838	18.6
436.18900	12.7
458.66977	1.2
462.16837	1.7
468.21097	1.1
480.17804	100.0
512.20459	82.5
512.28052	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	512.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
65.22493	1.7
67.12718	2.1
75.19328	1.8
84.92913	2.3
92.22509	4.4
97.06592	3.5
125.02346	2.7
125.09715	92.3
138.09250	3.4
172.09723	2.6
178.99402	2.6
186.11333	56.9
308.18796	3.8
314.47729	2.5
325.21332	43.2
339.22845	2.4
512.33527	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	513.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72221	1.3
56.55616	1.2
59.01380	6.7
70.27922	1.5
77.09843	1.7
80.65655	1.5
87.00892	2.1
87.38084	1.3
91.05518	19.0
117.07078	3.6
121.81836	1.6
122.06158	2.3
133.06599	17.0
160.03998	1.9
161.06081	27.9
163.04005	43.5
172.04115	2.5
174.07660	1.6
203.05902	2.7
203.08212	2.1
204.06635	8.8
205.07059	2.7
223.06131	100.0
252.12262	3.5
268.11826	2.1
282.09488	2.7
295.10785	1.8
295.33301	1.8
296.11484	14.5
297.12006	14.8
312.10422	2.5
329.11108	3.6
419.18079	7.3
425.12512	1.9
440.20422	2.0
453.23535	6.4
481.18192	23.0
504.75967	1.9
513.08832	3.0
513.20734	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	513.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25088	1.6
55.95042	1.9
57.03452	96.5
58.22947	1.7
59.01383	71.6
71.01379	4.0
73.02943	12.2
79.78252	1.7
81.03494	2.4
82.72041	2.0
89.02422	2.6
98.81743	2.0
99.04513	100.0
101.02441	32.1
113.02444	3.2
125.02447	47.9
129.10805	1.8
129.23749	1.9
143.03435	4.5
145.21329	2.0
150.14844	1.9
161.04553	3.4
203.05699	2.8
213.01517	1.9
219.99905	2.1
263.07742	2.1
469.17151	4.1
494.72958	2.1
516.84369	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	513.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	97.1
59.01383	81.1
68.30643	1.6
71.01383	6.7
71.18137	1.7
73.02943	6.7
74.02482	3.9
76.32700	1.6
88.15969	1.6
89.02441	3.2
99.04514	100.0
101.02445	23.4
106.00938	1.7
113.02436	8.0
119.05039	2.1
125.02448	46.5
125.31113	1.6
143.03522	2.4
143.18567	1.7
161.04570	6.6
162.85092	1.8
163.04060	2.5
180.06653	4.1
411.20453	2.0
469.17163	4.0
470.66864	2.0
513.22968	21.5
527.14661	1.8
528.40240	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	513.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60976	2.0
57.03452	95.8
59.01104	3.7
59.01386	92.7
67.10838	2.0
67.58513	2.4
70.32879	2.3
71.01382	12.3
89.02472	3.6
94.98092	4.6
97.76683	2.3
99.04510	100.0
99.99601	2.7
101.02427	27.9
103.00375	5.1
113.02454	10.1
124.02521	2.6
125.02450	44.0
127.75950	2.2
128.35843	2.4
132.95485	2.3
143.03505	3.5
161.04510	9.9
208.20078	2.6
247.11539	2.7
283.11966	2.9
325.12732	3.9
411.41190	2.8
469.16992	5.9
469.24823	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	513.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84794	0.5
52.81834	0.5
56.10754	0.5
57.03455	8.0
59.01383	7.6
60.99313	12.2
68.99820	1.0
71.01384	0.6
74.69865	0.6
80.42025	0.5
87.00854	2.8
88.00388	2.1
88.98800	100.0
89.02431	14.5
93.78977	0.6
99.00885	4.7
99.04512	9.4
101.02423	1.5
106.61384	0.6
118.24773	0.6
121.30732	0.6
125.02466	4.2
125.44012	0.6
138.29733	0.6
423.22607	2.5
513.19623	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	513.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	70.5
59.01381	59.2
59.25889	1.0
65.22728	0.9
69.03439	1.4
71.01379	27.8
73.02925	9.9
76.83665	1.1
81.03448	2.1
85.02941	16.8
89.02435	18.3
95.01386	7.3
99.04510	100.0
101.02439	44.0
113.02438	58.7
119.03536	8.9
119.05003	2.0
123.04479	5.8
125.02433	59.7
131.03465	6.9
133.91789	1.3
142.58331	1.1
143.03499	8.2
146.76712	1.3
149.04573	5.4
161.04544	21.1
179.05641	6.6
221.06677	10.6
303.60144	1.4
377.39038	1.4
381.75809	1.2
453.23453	10.2
469.24402	7.7
513.23419	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	513.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	60.3
57.64272	1.6
59.01382	76.5
71.01375	16.9
73.02942	2.9
79.92603	1.5
80.98106	1.4
85.02955	3.8
89.02447	13.3
91.11454	1.6
92.22738	9.1
99.04517	100.0
99.05173	3.5
101.02432	25.3
113.02445	17.4
119.03536	2.3
125.02448	54.6
131.03481	1.7
141.04306	1.6
143.03531	6.4
149.04549	2.0
160.72943	1.8
161.04538	10.6
179.05612	2.6
221.06693	7.1
297.83310	1.8
351.18152	2.5
369.19226	3.6
398.21509	2.0
411.20224	14.4
469.24802	3.2
513.23584	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	513.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00129	2.0
74.02477	9.0
75.22492	2.0
98.02471	2.6
109.06594	2.8
113.03561	3.0
114.05533	2.2
116.05095	2.8
117.81664	2.0
118.51352	1.9
130.08736	5.1
131.08275	19.2
137.38431	2.1
156.07811	9.7
157.32133	2.4
166.08722	4.4
173.10429	14.4
203.08284	43.2
223.14493	3.6
267.13568	12.9
287.09067	3.7
292.12991	3.0
309.15738	4.2
357.14526	4.0
383.24777	2.8
423.21951	2.7
440.60318	2.7
513.24689	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24306	1.5
57.53722	1.7
65.35205	1.5
72.02196	2.2
78.95456	3.6
78.95901	61.7
79.31835	1.5
81.03486	2.7
83.05016	9.7
91.23631	1.8
94.36596	1.8
96.96942	2.1
99.04496	4.1
101.18732	2.1
103.93384	1.8
108.34492	1.9
110.98524	67.4
127.71962	1.9
129.09175	3.8
137.00124	2.3
141.09242	2.5
152.99568	2.7
163.11275	9.8
165.12766	2.7
166.00354	24.4
167.01169	21.9
168.83188	2.0
171.10194	8.0
185.02222	13.1
185.11850	11.6
197.11829	16.1
209.09865	3.7
209.11836	100.0
213.23598	2.0
227.12878	14.6
291.19470	2.5
309.20712	3.3
327.21811	29.3
329.54636	2.5
395.14706	4.3
406.17688	1.9
437.68323	2.3
495.23834	33.0
513.24713	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	513.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83599	0.4
54.54632	0.4
59.01376	5.2
64.17020	0.5
71.01375	2.4
73.02930	0.6
76.05363	0.5
82.44968	0.5
89.02469	3.2
101.02449	3.1
113.02476	1.0
135.62575	0.4
179.05701	0.4
235.08185	0.7
253.09291	12.1
268.98520	0.5
277.21750	100.0
327.57352	0.5
336.13797	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84362	0.4
59.01375	3.9
71.01382	2.4
73.02944	0.5
76.01987	0.4
89.02432	3.9
101.02435	5.1
113.02457	2.3
113.48491	0.4
119.03544	0.4
121.54831	0.4
133.09428	0.4
161.04515	0.8
167.72871	0.4
235.08090	0.8
253.09274	10.3
277.21747	100.0
523.31293	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42665	0.5
59.01383	100.0
82.46969	0.5
101.02441	0.9
102.37024	0.6
103.39153	0.5
106.20004	0.6
113.02414	0.6
149.10620	0.6
153.70053	0.6
184.69852	0.6
193.07227	5.0
240.03520	0.7
277.21732	10.4
513.30981	0.9
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
59.01384	100.0
82.18445	0.6
87.29659	0.5
96.96011	1.2
101.28475	0.7
114.13639	0.6
125.09722	0.9
152.80882	0.6
160.91663	0.6
210.18256	0.6
269.21210	2.9
277.00943	0.6
277.21643	7.4
385.15668	0.7
513.30682	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	514.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	72.5
58.97868	1.6
59.01382	77.1
61.98832	58.0
65.46484	1.6
69.58644	1.8
71.01373	3.9
73.02948	2.6
75.29916	1.7
88.98804	3.2
92.23154	2.0
99.04509	98.9
101.02428	23.0
113.02421	4.2
124.99063	2.2
125.02422	38.4
143.03511	3.7
161.04543	3.9
184.50658	1.7
186.97388	1.8
199.69037	2.0
307.17621	9.9
349.18674	38.9
389.22150	2.6
407.22714	2.8
431.61139	2.1
451.21875	100.0
514.16443	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	514.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71570	1.0
57.74288	0.9
58.02967	6.1
62.02258	0.9
73.04079	1.3
74.02084	1.6
74.02468	30.2
74.65203	0.9
98.02473	4.8
112.92744	1.0
115.05122	7.9
129.10335	18.0
130.08737	4.3
140.07179	1.8
143.11897	14.9
151.08720	1.7
152.07251	2.0
153.10269	3.9
160.68451	1.0
161.15790	1.1
166.08713	1.5
167.12001	1.5
168.11406	11.0
169.09834	6.6
179.11879	4.4
181.64552	0.9
183.11314	8.1
186.12471	15.1
187.10896	10.4
200.14070	1.2
210.12489	77.2
211.10991	1.7
214.15622	38.6
219.77765	1.0
228.13525	31.6
252.06645	1.0
258.14548	4.0
299.17435	1.7
327.24020	29.3
371.22992	4.5
384.26282	8.2
470.26208	85.5
514.28870	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	514.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43029	0.7
61.98833	100.0
74.02469	1.7
86.37887	0.8
96.96030	0.9
109.09193	0.8
130.08745	1.1
186.12538	1.2
214.13315	0.8
228.17189	1.4
514.33118	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	515.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27802	0.9
64.71240	0.9
78.10783	1.0
78.84749	1.1
96.96002	2.6
109.51200	1.1
113.78251	1.0
164.71664	1.4
168.73543	1.2
219.06638	12.1
233.04546	2.1
245.04553	1.9
247.06131	12.2
255.09608	1.1
257.04636	1.3
259.06134	1.5
275.05630	89.0
285.44272	1.1
287.05466	7.4
305.03357	2.2
305.06699	42.2
317.06735	6.8
395.09756	10.7
425.11029	4.1
515.14124	100.0
540.84009	1.1
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
57.03450	33.0
57.40382	1.7
59.01381	79.8
64.26614	1.8
65.96085	1.7
65.97661	1.8
71.01383	23.7
73.02943	78.1
83.01387	12.8
85.02909	2.2
89.02455	8.0
99.04525	2.0
100.13390	1.9
101.02443	71.8
101.88114	1.9
105.76514	1.8
108.56460	2.0
113.02430	18.2
123.04487	3.3
125.02435	8.3
131.03477	2.2
143.03503	4.8
147.04414	2.7
149.04530	4.2
155.03539	4.6
161.04568	13.7
203.05614	9.2
210.94780	2.3
221.06686	15.6
235.85782	2.5
263.34930	2.2
286.58017	2.0
327.10870	100.0
369.11938	10.1
386.74200	2.2
415.99191	2.0
471.14661	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	515.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	8.2
62.93263	0.7
69.37669	0.9
71.01373	3.4
72.99275	0.8
73.02966	1.5
81.66096	0.8
89.02440	1.4
96.96000	1.6
99.00882	5.3
101.02438	4.0
113.02435	1.2
146.03737	25.3
161.06099	15.6
164.04787	19.3
165.05597	1.0
179.07137	100.0
205.83701	0.8
222.39665	0.7
226.67891	0.9
234.85008	0.8
275.07837	1.3
285.02795	0.7
374.07437	1.0
455.15656	13.7
473.16678	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	515.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24887	0.3
59.01376	4.4
59.45097	0.3
71.01383	3.4
73.02940	2.1
78.30932	0.3
83.01351	0.3
85.02934	0.5
89.02419	2.1
93.30913	0.3
99.00870	4.5
99.98869	0.4
101.02435	2.4
102.35292	0.3
102.61003	0.3
113.02452	2.9
118.05106	0.4
122.40983	0.3
124.46542	0.3
127.24069	0.3
128.98372	0.3
146.03729	27.7
147.04509	0.5
161.06071	20.2
164.04785	25.6
165.05560	1.7
179.07138	100.0
179.40793	0.3
191.05623	0.7
193.05115	1.3
294.42218	0.4
455.15671	0.6
473.16760	8.9
515.17725	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	515.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26014	3.1
53.99320	2.9
57.03458	22.9
57.37319	3.3
59.01382	100.0
62.87920	3.2
65.25899	2.9
71.01369	28.4
73.02943	46.7
74.02460	4.2
83.01382	15.0
85.02953	6.6
89.02438	6.7
91.12330	3.3
99.04520	28.7
101.02436	39.0
113.02448	16.7
116.05061	3.3
125.02447	13.3
139.34700	4.4
161.04567	8.0
161.13370	13.3
166.67813	3.2
203.08191	8.2
205.12361	35.2
210.11377	4.7
221.06589	4.2
232.71533	3.5
249.11325	54.3
284.03537	3.5
471.18750	33.0
488.43311	3.6
515.21063	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	515.215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50314	0.7
54.55526	0.6
58.02979	0.9
72.88708	0.7
74.02470	17.4
78.85213	0.7
81.97787	0.7
85.16337	0.9
90.17912	0.7
90.57316	0.7
91.03712	0.7
91.28790	0.8
91.69134	0.8
98.02486	0.9
100.00442	1.1
107.37971	0.9
109.06593	5.7
116.05042	8.4
118.05083	17.1
134.09764	1.0
141.60239	0.8
142.06604	4.1
148.11345	0.9
152.07199	1.6
152.10834	9.0
159.09294	5.3
166.08713	7.1
166.12325	2.6
175.07253	1.1
180.10297	3.3
182.08078	1.1
186.05577	0.9
186.28989	0.7
203.08275	64.7
210.07707	1.1
210.11362	25.0
248.98593	0.9
249.01257	0.9
254.10240	1.2
311.12445	1.9
339.13449	1.7
357.14499	1.0
440.18436	1.7
458.19342	18.5
475.66000	0.9
515.21484	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	515.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98989	0.5
57.31033	0.5
58.02970	0.7
74.02470	26.8
98.02492	1.4
98.56432	0.8
100.00385	4.0
100.31260	0.6
109.06575	3.2
116.05046	7.0
118.05094	23.8
122.09777	7.9
122.10511	1.0
130.06596	0.7
134.09734	3.0
135.04521	3.0
142.06639	1.4
152.07195	1.0
159.09302	1.0
166.08725	24.8
175.07263	3.2
178.08734	0.9
186.05679	2.6
203.08279	32.8
210.07738	10.6
236.28775	0.7
251.15489	1.6
253.13759	0.8
285.14767	0.8
295.14429	1.2
339.13486	10.9
440.18350	2.7
458.19400	13.5
515.21533	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99447	1.7
53.29153	2.0
57.03166	1.9
57.03450	74.8
59.01379	100.0
60.50761	1.5
71.01379	9.6
72.92365	2.0
73.02930	4.0
78.54413	1.8
78.95900	2.1
85.02962	4.3
89.02438	7.9
99.04513	97.7
101.02443	23.9
105.26796	2.4
111.47047	1.8
113.02443	8.5
125.02443	43.0
143.03523	4.5
147.01936	2.1
153.82083	2.1
161.04549	2.8
164.76697	1.8
165.12779	2.8
364.24115	2.2
371.17084	11.7
371.21161	3.3
413.22211	13.5
487.54626	2.1
515.25140	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	515.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11138	0.9
51.89363	1.1
56.22558	1.3
57.03452	67.2
59.01382	94.6
71.01377	11.7
71.61988	1.3
73.02939	5.9
74.99828	1.3
83.01376	2.6
83.75517	1.3
85.02930	3.0
89.02453	2.7
92.23050	1.6
99.04513	100.0
101.02430	24.0
113.02435	9.0
120.14233	1.4
125.02425	60.7
138.12215	1.5
143.03499	7.3
145.32132	1.3
152.56281	1.6
161.04553	2.2
191.88271	1.6
203.48146	1.7
209.15416	2.6
254.78435	1.8
281.41556	1.4
284.05923	1.4
317.07178	1.5
353.19797	7.9
371.20740	14.7
413.21860	41.6
453.24640	2.8
471.25989	10.0
515.25055	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	515.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20871	2.3
59.01400	2.7
63.25515	2.3
74.02476	15.4
74.03578	3.0
78.95888	3.2
93.03458	6.3
99.00882	16.4
109.06564	5.6
111.08141	2.9
116.05039	6.4
118.05074	29.4
126.42152	2.4
131.08232	13.0
137.02435	15.7
156.07806	3.2
175.08434	3.7
185.96298	3.2
185.99808	10.1
196.74559	2.6
203.08276	79.0
204.08665	2.4
210.11380	22.8
212.09384	8.2
229.98813	4.5
237.93379	2.8
359.16333	4.4
413.10950	3.9
432.10162	2.8
515.22559	100.0
528.96814	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	515.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20419	0.4
59.01377	2.8
62.79488	0.4
71.01364	2.3
82.93487	0.5
89.02427	2.3
101.02434	4.6
113.02441	1.9
118.53397	0.6
119.03473	0.7
161.04526	0.7
185.71179	0.6
253.09326	8.6
279.23312	100.0
340.84961	0.5
453.02722	0.6
515.14740	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15993	0.2
59.01381	3.3
71.01375	1.7
73.02934	0.4
85.02935	1.0
87.00860	0.4
89.02430	2.9
100.77717	0.2
101.02437	3.2
113.02433	1.6
119.03487	1.1
122.38371	0.2
126.33495	0.3
144.22162	0.3
161.04575	0.5
235.08220	1.2
253.09306	9.3
256.34033	0.3
279.23303	100.0
347.59625	0.3
394.60870	0.3
435.08572	0.3
447.82498	0.3
515.32092	0.4
526.72198	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35273	1.8
56.98870	1.7
59.01383	100.0
67.98808	1.9
73.84531	1.9
167.79808	2.1
177.14754	2.4
195.14322	2.3
279.23303	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	515.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86411	4.1
57.03453	100.0
59.01384	76.9
60.33616	4.0
71.01383	5.9
73.02941	5.0
77.40834	4.8
80.53561	4.9
92.40871	5.2
93.77000	5.4
99.04504	83.7
101.02421	22.8
108.70182	5.0
125.02425	36.5
292.06168	6.4
369.05341	5.8
371.24365	8.7
413.25461	18.7
515.28601	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	516.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94523	1.5
55.01871	1.8
59.01379	2.8
62.38084	1.5
72.00917	3.5
73.15997	1.4
74.02468	29.9
75.01989	2.4
77.01122	1.7
80.67738	1.7
99.00872	33.4
100.00393	7.6
109.06570	3.9
116.03490	2.2
116.05072	14.1
118.05112	3.3
122.09767	15.2
133.06174	22.4
135.04547	2.2
141.05692	1.8
142.06598	4.1
154.04985	2.5
159.04111	16.4
159.09282	2.3
166.08727	35.1
186.05566	3.3
203.08281	66.5
210.07716	13.9
220.79733	1.8
227.10364	2.7
284.94678	2.3
339.13614	23.1
356.16373	8.3
425.18353	10.3
455.19318	35.8
456.17740	4.3
473.20456	45.6
516.21075	100.0
533.79712	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	516.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24359	0.9
55.01881	5.0
60.02260	1.1
61.98810	1.8
68.78844	1.3
72.00900	2.2
73.11469	1.4
74.02467	16.2
75.79126	1.3
76.33129	1.3
84.87766	1.2
99.00866	38.3
109.06544	2.2
116.05050	16.3
118.05077	9.2
133.06206	6.1
142.06604	2.7
157.07677	1.5
159.04138	2.8
159.09282	6.9
166.08745	1.7
169.12958	1.2
203.08273	100.0
205.05026	12.9
210.07956	1.3
227.10289	1.3
270.33051	1.2
356.16174	8.5
357.14648	1.4
412.18927	1.4
425.18509	14.7
455.19308	20.2
456.17789	6.2
473.20547	31.2
499.18759	2.6
516.21033	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	516.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91658	70.1
54.20703	87.8
57.77138	79.9
68.50347	80.7
80.04646	92.6
107.88184	96.8
138.98973	89.8
141.78429	87.5
155.47975	94.0
163.05997	91.9
397.14032	100.0
474.74396	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	517.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53360	0.4
52.92721	0.4
57.10368	0.5
57.99313	0.4
58.32999	0.5
59.01374	2.2
71.01370	1.0
74.02472	10.9
74.03603	0.8
77.68650	0.5
78.95895	7.1
79.95740	0.7
89.02434	2.8
89.03582	0.7
96.96001	100.0
96.96928	20.8
99.00832	0.5
100.55016	0.5
101.02425	1.9
113.02401	1.2
118.05112	4.8
119.03482	1.9
128.03506	0.6
175.07242	11.2
175.08614	0.7
288.25424	0.6
341.10931	5.7
363.87936	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	27.4
69.11298	0.9
71.01375	14.9
71.36317	0.8
72.99295	1.7
73.02931	6.2
73.03299	0.9
75.00821	1.5
83.01377	1.5
85.02937	18.1
85.32959	1.0
87.00869	16.2
89.02435	22.8
92.99104	1.4
95.01379	6.4
96.95990	5.0
98.60415	1.2
99.00858	1.9
101.02444	12.4
113.02443	31.0
119.03509	13.6
131.03516	2.1
137.36589	1.0
139.94069	1.2
143.03474	1.1
157.01422	1.2
158.37863	1.0
161.04544	5.7
175.02498	4.5
179.05621	7.6
234.10373	1.1
253.23709	1.3
293.08960	7.8
337.07861	10.1
466.82928	1.2
487.09753	1.2
517.14185	100.0
534.57861	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	517.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64516	0.8
57.03437	1.4
57.99333	3.7
58.00594	1.5
58.02983	3.9
59.01378	4.7
59.98523	3.1
71.01387	1.7
72.00893	0.9
73.02917	1.7
74.02467	100.0
85.02929	1.1
87.00887	0.9
89.02435	5.4
89.03555	5.1
93.21919	0.9
96.60856	0.8
98.02448	1.0
99.00874	1.6
99.04513	6.9
100.04047	1.9
101.02444	4.9
113.02406	4.0
118.05102	33.6
119.03443	1.1
132.04135	8.3
161.04565	13.1
174.07686	2.2
175.04765	3.5
175.07220	90.1
179.05701	1.4
209.27640	1.2
276.71732	0.9
341.10922	10.2
382.57220	0.9
517.14392	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	517.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09692	0.7
56.81737	0.9
57.03438	1.4
59.01383	15.6
68.66605	0.9
71.01378	13.0
72.99310	1.7
75.00867	8.0
75.55709	0.9
85.02944	12.7
87.00866	6.3
89.02432	5.8
95.01351	4.0
96.96017	10.7
99.00865	5.8
101.02402	1.4
103.00370	1.5
113.02438	30.7
129.01959	1.4
133.12648	0.9
135.08192	0.9
153.90668	1.0
161.09697	1.9
161.13371	1.6
187.11282	1.7
189.09097	1.1
194.11098	0.9
207.05093	1.1
223.13377	1.3
249.06065	10.1
267.07245	33.6
325.31430	1.0
517.19287	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	517.193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14503	1.2
57.03452	100.0
59.01381	62.8
71.01358	12.5
73.02942	25.2
83.01390	3.0
83.92786	1.3
89.02480	1.3
99.04509	89.5
101.02429	43.7
113.02425	9.2
123.04497	1.4
125.02435	47.2
138.25462	1.4
141.37209	1.4
143.03496	7.3
155.03462	1.6
161.04518	5.7
193.00838	1.4
203.05550	5.8
247.79568	1.4
373.22348	2.3
415.22986	2.4
459.85892	1.5
473.20306	1.7
476.06244	1.5
492.59174	1.7
517.26263	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	517.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	8.3
58.87589	1.7
59.01385	42.3
61.74187	1.5
64.91067	1.5
71.01376	12.4
72.99290	1.8
74.02464	39.7
75.00860	9.6
82.78606	1.6
85.02946	8.7
87.00867	4.6
88.59774	1.8
89.02454	10.5
89.05547	1.9
99.00848	7.3
99.04522	4.6
99.84085	2.0
101.02448	2.8
111.08141	11.9
113.02444	25.6
116.05044	8.0
118.05083	24.2
120.01238	7.8
144.47653	1.9
161.13345	2.0
167.11861	1.9
168.10324	9.2
184.83752	1.9
194.11821	2.5
203.08252	43.4
212.09286	21.8
212.13141	2.3
226.11777	2.1
243.28957	1.9
249.06172	8.6
267.07224	29.5
287.15982	3.2
309.63129	1.9
313.13968	13.6
334.56461	2.0
359.16183	4.3
380.19354	2.1
386.62878	2.0
442.19839	16.7
460.20917	26.4
517.23059	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	517.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68237	1.3
59.01375	3.2
61.36195	1.3
74.02466	27.6
77.49760	1.4
81.32358	1.4
82.47723	1.6
98.02445	1.8
99.00874	9.3
111.08130	6.5
116.05044	3.3
118.05112	17.8
120.75436	1.4
131.30336	1.7
149.34073	1.6
168.10272	2.6
171.10229	3.1
175.07095	2.7
175.08406	2.8
188.69585	1.4
203.08267	27.2
209.11867	10.9
210.05179	3.0
212.09265	8.8
227.12912	2.7
229.11937	3.5
230.10303	3.1
255.13591	1.8
263.16696	1.9
333.33365	1.5
341.19794	27.4
358.17776	2.3
359.15991	9.0
467.34619	2.0
517.24048	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	517.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
71.01366	1.4
71.54462	0.5
73.02962	0.9
77.20965	0.5
81.92703	0.5
85.57307	0.6
99.04461	0.5
101.02409	1.1
119.63583	0.6
121.30639	0.6
127.80075	0.6
153.23643	0.5
179.96101	0.6
190.71143	0.7
192.40364	0.6
295.22763	2.6
517.30615	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	517.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	87.1
58.11588	1.8
59.01382	94.1
63.53139	1.8
63.68200	1.8
71.01389	15.8
73.02940	2.7
75.00877	2.3
85.02949	11.9
87.00824	2.4
89.02417	2.4
95.01453	2.1
99.00873	3.0
99.04514	100.0
101.02441	26.2
113.02454	23.7
118.00789	1.8
121.15955	1.7
125.02441	49.8
143.03464	7.4
149.38921	1.9
158.33281	1.7
159.03018	2.7
161.04593	2.6
185.22664	1.8
244.51114	2.1
249.06218	8.0
267.07193	17.3
373.22348	10.0
415.23331	27.5
473.27600	3.2
517.19250	51.0
517.26581	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	517.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69825	2.1
57.03450	85.8
59.01376	100.0
61.98875	2.0
71.01369	16.3
73.02950	3.4
79.55544	2.4
80.91685	2.6
85.02969	4.9
85.98566	2.5
88.46923	2.0
89.02441	15.5
92.89939	2.3
99.03895	4.6
99.04511	99.8
99.05158	3.4
101.02425	24.3
113.02446	10.4
117.00278	2.4
119.03480	3.9
125.02422	45.5
143.03450	3.5
149.43192	2.3
223.17104	18.4
225.30798	2.6
319.28067	2.6
373.22330	18.1
415.23395	39.9
460.77994	2.8
517.27100	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	517.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94738	1.6
57.03450	91.6
59.01382	95.5
71.01370	15.1
85.02930	2.2
89.02443	18.0
99.04510	100.0
101.02438	25.1
113.02433	11.9
119.03492	8.2
125.02437	47.3
132.54958	2.4
133.95033	1.8
139.53816	1.8
143.03529	4.2
161.04510	3.4
197.84660	1.9
277.34180	1.9
355.21234	10.2
373.22308	33.1
402.40942	2.2
415.23572	36.5
455.26590	3.5
473.27222	2.7
517.26428	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	517.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	83.1
59.01381	83.0
71.01379	10.1
71.22507	1.4
73.02930	3.7
85.02936	6.2
86.75846	1.6
89.02437	2.3
92.23158	2.4
99.04511	100.0
101.02443	29.7
104.99701	1.6
113.02431	12.6
121.02934	15.7
125.02431	45.4
143.03461	6.4
145.51826	2.0
161.04582	6.7
165.82321	1.7
185.13496	1.6
239.24883	1.5
287.64676	1.8
313.07056	3.3
328.87259	1.8
360.44077	1.7
373.22342	10.5
401.08780	8.9
415.23450	25.3
455.26819	2.2
473.27390	2.6
517.19330	2.8
517.26556	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	517.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74186	0.8
57.03446	11.6
63.90499	0.9
83.05032	4.9
85.02956	13.3
87.00889	3.8
91.17370	0.9
101.02449	17.0
111.00875	6.5
111.70377	0.9
112.07054	1.0
123.08163	7.9
141.35741	1.0
158.91409	1.1
184.47862	1.2
196.07677	1.0
245.15477	37.3
255.12315	7.5
261.18616	38.0
285.18652	6.9
301.21768	43.9
499.30530	2.2
507.91306	1.0
517.31805	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58836	4.6
57.03440	7.7
58.69116	4.5
59.01382	100.0
99.04520	10.7
101.02451	5.7
101.89873	6.0
114.09811	5.8
157.92960	6.1
167.52501	6.2
182.61995	5.7
480.96472	6.4
510.69611	6.7
517.30341	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	517.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35993	1.5
56.81245	1.4
59.01382	100.0
63.56873	1.2
63.88768	1.3
69.53862	1.7
88.06882	1.7
99.72552	1.8
108.88323	1.6
111.97006	1.7
117.79984	1.7
135.24509	1.6
140.10120	1.7
144.95314	1.7
182.31993	1.6
191.74561	1.6
227.80046	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	517.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68172	1.5
51.08872	1.9
51.44030	1.8
54.28105	1.8
57.00448	1.7
59.01380	100.0
59.64443	1.7
60.06413	1.8
60.75066	1.9
66.80703	1.7
70.81353	2.0
74.56850	1.9
78.31312	2.1
108.51067	2.2
125.09688	5.3
183.51910	2.1
186.11368	39.0
190.75163	2.3
225.49571	2.9
271.34375	2.3
293.56833	2.5
517.31421	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	517.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.79755	1.5
63.61672	1.3
88.57406	1.4
94.86420	1.4
121.86192	1.4
201.58029	1.4
208.37529	1.5
286.53003	1.6
316.31528	1.6
330.27637	1.6
521.14386	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	518.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66401	0.5
56.24417	0.6
57.03448	2.7
57.51614	0.6
59.01382	42.3
61.77318	0.7
61.98832	100.0
69.59371	0.6
71.01375	10.5
73.02939	16.1
75.44989	0.6
83.01381	3.8
85.02958	1.3
89.02441	5.2
99.04513	3.4
100.04922	1.0
101.02449	17.1
113.02412	6.1
119.03493	4.0
120.68531	0.6
125.02438	1.4
131.03482	1.0
136.13969	0.7
137.09738	3.9
143.03529	1.4
149.04576	4.3
161.04607	8.9
189.12830	1.5
203.05603	0.7
221.06625	6.7
257.45361	0.7
378.56421	1.0
411.20389	6.8
478.58185	0.8
518.27325	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.8
55.29943	3.6
64.24696	3.2
64.31144	3.8
69.59272	3.2
74.02460	44.6
75.13893	3.2
90.51448	3.5
97.04045	3.3
99.00869	42.9
110.15171	3.7
116.05063	8.1
128.03432	5.7
133.06207	4.5
133.22557	3.7
143.04596	19.0
153.10281	5.8
159.09241	4.5
172.92105	4.1
193.12242	3.8
203.08238	60.4
212.09387	7.6
229.11856	7.9
284.78226	3.8
358.17743	5.7
380.66483	4.2
401.39722	3.5
427.19421	17.1
457.20636	35.5
458.48996	5.0
475.21823	36.7
501.19846	8.5
518.22192	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	2.1
61.98822	2.4
67.37404	0.9
68.35738	0.9
71.91338	1.0
72.00901	2.8
74.02472	23.9
116.05033	14.0
117.88332	1.2
118.06615	1.3
120.08172	1.5
122.09755	1.9
133.09764	1.1
136.18280	1.1
139.41025	1.1
142.06580	2.7
147.04533	11.9
151.79437	1.3
159.09270	6.5
164.07176	35.2
166.08717	2.7
169.81131	1.1
203.08281	41.1
313.15674	4.4
334.65762	1.2
387.47281	1.2
518.23016	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	2.1
61.98822	2.4
67.37404	0.9
68.35738	0.9
71.91338	1.0
72.00901	2.8
74.02472	23.9
116.05033	14.0
117.88332	1.2
118.06615	1.3
120.08172	1.5
122.09755	1.9
133.09764	1.1
136.18280	1.1
139.41025	1.1
142.06580	2.7
147.04533	11.9
151.79437	1.3
159.09270	6.5
164.07176	35.2
166.08717	2.7
169.81131	1.1
203.08281	41.1
313.15674	4.4
334.65762	1.2
387.47281	1.2
518.23016	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47735	0.6
59.53358	0.7
61.98830	100.0
72.65862	0.7
83.72892	0.7
93.96644	0.7
95.77914	0.7
155.28651	0.8
207.57504	0.8
255.50966	0.8
461.25854	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09856	0.6
52.99635	0.5
55.74706	0.5
57.03440	2.8
57.63670	0.6
59.01107	1.0
59.01383	21.3
61.98837	6.5
65.55677	0.7
66.95113	0.6
71.01381	7.4
73.02924	0.9
75.00863	3.5
79.62009	0.7
83.66652	0.6
85.02946	6.2
87.00866	3.3
89.02416	4.1
95.01334	1.1
99.00871	3.5
99.04493	2.8
101.02406	3.0
106.33381	0.7
109.02960	1.5
113.02437	15.8
121.02951	1.2
125.02431	1.1
129.01924	0.8
133.63310	0.6
149.04501	0.8
165.01939	11.8
193.01414	1.2
207.13919	1.2
209.11871	3.7
227.03319	0.8
249.06056	5.7
251.12903	0.9
267.07211	11.5
269.04617	1.5
269.14011	1.0
271.02502	16.5
285.04068	2.9
287.05511	1.0
299.01978	97.5
300.02808	9.5
314.04346	86.7
314.07230	1.2
315.05133	26.1
450.78748	0.7
459.25497	0.8
477.10516	1.0
519.11420	100.0
519.20728	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	519.115
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.6
57.59972	0.6
59.01382	5.1
59.52687	0.5
63.02382	0.6
65.00329	1.3
72.86423	0.6
74.33205	0.5
83.01386	2.7
84.49197	0.5
93.03442	7.2
101.02441	0.7
107.01401	7.5
113.02480	0.7
114.02013	0.8
116.92881	1.1
117.92850	0.6
119.05015	25.9
125.02426	4.4
145.02914	4.3
151.00369	81.6
165.01917	6.0
169.01392	4.8
177.01920	6.0
185.06081	1.1
187.04022	0.7
193.01376	0.9
216.07745	0.6
227.07114	4.8
269.04599	0.7
271.06146	100.0
355.06714	4.0
370.98132	0.7
402.70239	0.7
433.11511	1.0
475.12503	56.7
519.10754	0.9
519.26245	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	519.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	4.5
59.01381	11.6
59.77614	0.5
61.98846	0.6
71.01372	2.6
73.02924	0.7
85.02939	1.3
89.02433	2.2
96.96004	4.9
99.04515	5.3
101.02430	4.2
108.29599	0.7
109.02921	1.3
113.02452	1.1
115.53648	0.6
116.92883	0.8
121.02948	2.1
125.02427	1.9
136.33684	0.5
140.18759	0.5
165.01915	12.0
175.03981	0.8
193.01488	2.6
211.82532	0.5
269.04593	2.6
271.02493	17.4
271.05222	1.0
285.03958	2.7
287.05594	1.1
298.04361	0.7
299.01987	100.0
300.02765	9.6
314.04355	98.9
315.05142	27.9
443.39148	0.5
474.12805	0.6
477.10553	1.3
505.94623	0.6
519.11475	95.4
519.24493	2.6
519.31989	2.4
544.44318	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04264	0.4
57.03449	0.8
59.01381	5.9
71.01379	2.0
75.00855	2.0
85.02941	1.0
87.00871	0.6
99.00845	1.1
103.85892	0.5
113.02409	3.3
113.98087	0.6
114.99773	0.6
133.58492	0.6
151.00317	0.7
153.36212	0.5
165.12766	1.2
209.11847	0.9
227.03560	0.9
243.02969	8.7
244.03773	0.7
249.06178	1.2
255.03041	8.1
257.04471	2.5
259.06161	0.6
267.07205	0.9
270.01602	0.7
271.02518	20.2
272.03275	2.9
285.04028	5.1
286.04895	2.2
287.05713	2.1
293.62448	0.7
299.01987	100.0
300.02759	37.3
314.04349	58.8
315.05145	62.8
384.90359	0.5
519.11523	88.5
519.20593	20.8
544.14459	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11554	0.8
56.26697	0.8
59.01414	1.0
65.00331	1.6
79.61254	1.5
83.01374	1.0
85.36122	0.9
87.00858	1.3
93.03441	7.8
107.01373	5.5
107.06239	0.9
112.03216	1.0
119.05017	16.8
125.02592	1.3
126.11087	1.0
126.22549	1.2
144.79976	0.9
151.00366	63.7
164.01132	1.2
165.01993	1.4
169.01390	1.8
170.65596	1.0
177.01904	8.2
225.78926	1.1
239.07317	2.4
271.06131	100.0
315.09427	1.2
355.77295	1.1
368.12451	1.1
392.48224	1.0
455.69226	1.1
475.12500	59.2
519.21252	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	519.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41418	1.1
53.58079	1.1
55.94187	1.2
59.01373	12.8
71.01382	11.2
73.02944	8.4
75.00868	18.7
76.79958	1.1
77.12476	1.2
79.88747	1.2
84.18256	1.3
85.02946	3.1
89.02442	3.5
93.28594	1.2
95.01406	1.7
96.00902	1.7
96.95999	8.4
97.02926	1.5
98.45919	1.5
99.00874	9.2
101.02449	6.1
109.50433	1.4
113.02444	9.3
123.00887	10.7
124.01643	40.8
138.03218	21.1
139.04013	96.4
161.04579	8.1
168.00684	1.4
183.06593	12.2
202.12421	1.5
236.18704	1.6
250.02840	1.4
283.08014	2.0
292.77570	1.6
343.10461	13.1
362.57819	1.6
433.13397	11.0
441.27982	1.9
475.14612	100.0
477.15836	1.6
519.17560	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	519.1875
Annotation	(-)-Pinoresinol glucoside
Peak:m/z	Relative Intensity
59.01104	2.0
59.01384	49.3
71.01376	27.7
73.02941	1.1
74.02477	2.1
85.02940	5.1
89.02436	38.2
99.00879	1.4
101.02447	15.4
101.90517	1.2
113.02437	14.6
119.03481	13.8
143.03499	1.9
148.50708	1.1
151.03975	1.6
161.04597	4.9
179.05632	15.8
197.75174	1.1
203.08313	2.3
204.08496	1.6
268.11157	2.4
281.08124	11.3
291.06647	1.4
292.07364	2.4
293.08289	4.9
294.09094	4.6
296.10565	9.1
299.02005	2.6
300.02826	1.9
303.93741	1.4
308.10641	6.0
309.07727	100.0
315.05106	4.7
323.09238	5.6
324.10092	52.1
339.12390	69.5
357.13815	2.2
395.18951	2.6
428.19711	1.3
458.20914	1.6
475.21600	1.8
476.22296	1.2
505.77078	1.3
519.21039	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	519.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01104	2.0
59.01384	49.3
71.01376	27.7
73.02941	1.1
74.02477	2.1
85.02940	5.1
89.02436	38.2
99.00879	1.4
101.02447	15.4
101.90517	1.2
113.02437	14.6
119.03481	13.8
143.03499	1.9
148.50708	1.1
151.03975	1.6
161.04597	4.9
179.05632	15.8
197.75174	1.1
203.08313	2.3
204.08496	1.6
268.11157	2.4
281.08124	11.3
291.06647	1.4
292.07364	2.4
293.08289	4.9
294.09094	4.6
296.10565	9.1
299.02005	2.6
300.02826	1.9
303.93741	1.4
308.10641	6.0
309.07727	100.0
315.05106	4.7
323.09238	5.6
324.10092	52.1
339.12390	69.5
357.13815	2.2
395.18951	2.6
428.19711	1.3
458.20914	1.6
475.21600	1.8
476.22296	1.2
505.77078	1.3
519.21039	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	519.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	100.0
59.01383	75.8
60.52009	1.4
73.02968	2.1
89.02435	2.4
99.04511	99.5
100.63443	1.7
101.02446	20.3
125.02438	43.2
143.03520	2.4
191.42865	2.1
240.57414	1.8
251.26297	2.0
303.91934	1.7
305.90872	1.7
373.18845	2.1
475.22043	3.5
519.61334	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	519.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99567	1.2
57.03452	99.8
59.01383	82.2
59.01686	2.3
66.56645	1.1
70.31649	1.2
70.57867	1.2
71.01382	2.7
73.40611	1.2
73.64949	1.3
78.72863	1.4
81.03486	1.5
84.05837	1.1
96.63819	1.3
99.04516	100.0
101.02453	18.8
101.08800	1.3
106.19156	1.2
113.02442	3.2
125.02441	38.2
143.03455	1.4
148.77504	1.5
153.33640	1.2
158.65663	1.2
161.04510	2.0
162.81631	1.3
163.30971	1.5
181.17056	1.3
331.17728	2.5
475.21906	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	519.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.1
59.01377	23.8
61.98824	2.2
71.01376	10.4
72.99298	1.8
73.02938	0.8
75.00867	7.1
76.17563	0.5
81.03451	0.5
85.02937	10.8
87.00846	4.4
89.02435	3.8
90.29015	0.4
95.01376	3.0
99.00879	5.2
99.04488	1.8
101.02418	0.9
103.00354	2.0
109.06570	0.5
113.01647	0.8
113.02434	20.4
115.00359	2.0
117.01935	0.6
129.01923	0.9
131.03452	0.6
136.44536	0.4
149.04591	0.6
157.01514	0.5
165.01935	2.3
165.12860	2.9
175.02521	1.5
189.12811	1.8
191.10851	0.6
207.05046	0.6
207.13939	4.2
209.11815	6.1
223.08049	0.4
248.07129	0.5
249.06139	8.9
251.12912	0.6
254.02158	0.5
267.07199	17.3
269.13904	2.0
270.71805	0.4
271.02557	4.3
284.82346	0.5
299.01984	25.3
300.02670	2.6
309.07733	0.5
314.04327	23.4
315.05121	7.5
343.17484	0.5
459.19037	0.5
519.11615	25.3
519.20795	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03199	1.1
57.03452	23.2
59.01109	1.7
59.01382	26.4
71.01378	16.3
73.02945	3.3
74.87914	0.4
76.93652	0.3
83.01399	1.0
85.02941	4.0
87.00930	0.5
89.01918	0.7
89.02435	15.8
94.98145	0.6
95.01438	1.9
95.48987	0.4
97.03003	0.5
99.00919	0.7
99.04507	10.9
100.04906	0.4
101.02441	19.2
113.02440	11.6
116.92926	0.4
119.03487	6.0
125.02453	6.0
126.98650	0.4
131.03551	0.4
143.03531	0.7
147.85251	0.3
161.04596	0.7
191.15733	0.4
195.13921	18.4
209.15605	0.7
213.14975	7.3
214.94333	0.4
269.96008	0.4
299.01953	0.6
357.19189	7.2
375.20273	100.0
417.21313	23.7
457.24329	1.7
519.24451	24.0
528.42072	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59815	1.3
56.35214	1.1
59.01383	100.0
59.43447	1.3
116.29282	1.4
138.90884	1.8
175.62813	1.5
328.45337	1.5
459.38019	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	520.204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	52.6
61.98833	100.0
63.83536	0.8
71.01376	7.7
73.02959	2.1
85.02950	1.7
92.22472	1.0
97.14210	0.9
99.00886	1.1
101.02445	6.8
113.02426	5.1
118.43288	0.8
161.04564	3.6
209.15553	1.6
245.81714	0.9
342.91541	1.2
353.19635	4.0
371.20749	7.3
413.21906	49.1
413.27557	1.6
546.46558	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20993	0.7
59.94753	0.8
72.00902	3.6
74.02468	2.1
86.02490	1.2
92.22454	1.1
104.69250	0.9
109.06588	2.2
116.05057	1.4
116.72326	0.9
118.06630	1.1
131.03760	3.6
132.04562	10.2
134.09750	1.3
144.04544	1.5
145.19395	0.9
147.04546	13.0
152.07117	2.0
157.07713	9.7
158.06081	5.4
164.07178	65.4
175.08765	6.4
201.06641	1.7
206.31946	1.0
219.07753	13.4
264.15842	0.8
267.15063	1.4
300.29059	1.1
502.19736	2.0
520.20935	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95787	0.7
66.64025	0.8
74.02467	13.6
83.56548	0.7
86.74481	0.8
90.42036	0.9
92.22485	0.8
93.03436	1.8
96.96013	0.8
100.00380	3.7
109.06571	4.5
116.05067	8.7
119.05035	3.1
119.96406	0.8
122.09733	7.4
135.04536	1.6
136.07683	1.0
142.06622	1.6
148.07677	1.0
152.07179	1.3
159.09261	3.4
160.74248	0.7
163.04010	5.9
166.08737	21.0
180.06677	34.2
186.05580	1.2
203.08267	31.8
210.07767	5.6
251.15559	1.3
295.14169	0.8
299.01962	5.2
300.02319	7.4
314.04370	1.6
315.04739	8.6
316.05453	1.9
339.13391	7.1
403.83539	0.9
520.12170	9.7
520.20886	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	1.2
61.58839	1.0
61.98824	1.7
62.16137	0.9
72.00898	1.9
74.02477	23.0
91.05531	1.6
93.31216	1.2
99.01991	1.4
110.73534	1.0
111.08143	2.2
116.05054	12.9
118.06581	8.8
122.51624	1.0
142.06604	1.6
147.04485	10.4
153.10342	1.3
159.09389	1.5
164.07190	28.2
165.18251	1.3
167.11891	8.1
172.09767	2.5
187.33884	1.4
203.08281	34.4
211.10725	1.2
271.18332	1.4
315.17212	13.8
378.71463	1.1
444.22775	1.7
479.54883	1.3
488.21863	5.6
520.24536	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	1.2
61.58839	1.0
61.98824	1.7
62.16137	0.9
72.00898	1.9
74.02477	23.0
91.05531	1.6
93.31216	1.2
99.01991	1.4
110.73534	1.0
111.08143	2.2
116.05054	12.9
118.06581	8.8
122.51624	1.0
142.06604	1.6
147.04485	10.4
153.10342	1.3
159.09389	1.5
164.07190	28.2
165.18251	1.3
167.11891	8.1
172.09767	2.5
187.33884	1.4
203.08281	34.4
211.10725	1.2
271.18332	1.4
315.17212	13.8
378.71463	1.1
444.22775	1.7
479.54883	1.3
488.21863	5.6
520.24536	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	16.5
70.86317	0.9
78.95900	34.6
82.79269	1.4
96.96914	1.3
108.08979	1.3
111.39227	1.0
120.07480	1.1
125.82994	1.1
147.19615	1.2
152.99583	100.0
171.00697	1.9
186.49124	1.2
276.12631	1.3
279.23346	1.4
433.23630	30.4
439.21707	1.1
475.72623	1.3
496.88385	1.5
520.26874	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	520.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.6
59.97782	0.7
61.98818	1.2
63.55579	0.6
78.95897	19.7
88.31953	0.7
96.96948	2.8
111.51006	0.9
126.78172	0.7
152.99582	100.0
171.00642	3.7
203.14546	0.9
237.73776	0.8
269.58136	0.7
336.48264	0.9
371.05420	0.9
429.01080	0.8
433.23666	18.5
520.26782	28.3
525.83154	0.9
542.57318	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51341	0.4
60.04221	0.4
60.45922	0.5
61.98833	100.0
62.95999	0.4
71.53080	0.4
76.97239	0.4
163.50801	0.5
193.15794	0.5
510.16754	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97691	0.7
52.69072	0.8
59.01396	8.0
59.01635	1.0
62.10932	0.8
71.01367	1.2
81.03433	0.9
83.01356	0.9
89.02437	1.1
91.50729	0.9
93.03438	4.3
100.42897	1.0
101.02400	1.2
110.25279	0.9
113.02434	1.7
119.05009	4.8
123.04507	9.2
125.02451	12.1
149.02383	1.0
167.03497	100.0
179.03516	10.6
192.60100	1.1
271.29758	1.1
273.07721	96.8
293.54138	1.0
299.05731	1.6
377.18170	1.4
414.51355	1.2
429.04465	1.0
477.14111	21.1
521.33441	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	521.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01799	0.8
52.74968	1.0
59.01381	5.1
65.62510	1.3
71.01374	1.3
80.18727	1.0
94.63683	1.2
96.78691	1.0
96.95985	1.2
99.04527	1.2
103.06842	1.0
106.13737	1.0
108.02170	13.1
109.70276	1.0
123.00886	31.2
123.04517	28.1
124.01657	16.2
134.03703	1.4
135.04454	4.5
136.01656	6.2
141.05542	2.5
148.01662	1.8
150.03207	1.7
153.05579	2.1
162.03238	1.9
163.04044	13.8
165.05540	2.5
175.04001	1.4
191.07181	1.1
193.05095	1.9
194.37375	1.2
195.06490	1.6
257.04590	1.6
271.06158	4.3
272.06918	48.5
286.08496	1.7
287.09274	100.0
289.07352	1.2
301.27414	1.2
317.10321	89.0
328.63812	1.2
355.12939	2.0
399.11938	1.5
471.93668	1.2
491.15808	6.0
508.98230	1.4
512.63745	1.3
521.16833	34.1
521.23975	1.9
524.11694	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	521.1669
Annotation	Melampodinin
Peak:m/z	Relative Intensity
52.48359	0.4
60.17836	0.4
62.12516	0.4
68.86446	0.4
71.01363	0.5
109.02935	14.2
121.02943	46.4
135.04501	9.2
137.02396	2.1
147.04544	0.7
149.06079	6.9
154.16982	0.6
165.01872	4.1
168.64047	0.5
179.03494	1.8
180.04280	21.6
181.05040	0.8
193.05153	0.6
195.06618	24.1
241.05064	0.5
245.04549	1.0
269.04550	3.7
270.05377	6.0
271.03104	0.4
271.05902	3.6
284.06781	0.7
285.07745	4.6
286.04868	18.2
287.05634	14.3
299.09335	2.2
301.07193	23.2
302.07962	13.0
316.09641	3.5
317.10321	100.0
461.15076	0.8
521.16718	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	521.167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	97.8
74.02460	1.2
80.58144	1.1
84.31754	1.0
92.22503	1.9
124.77802	1.0
148.21503	1.0
180.06714	1.7
233.56285	1.3
248.13310	1.2
269.04584	47.4
284.06912	58.8
299.09271	100.0
521.21301	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	521.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44204	0.5
59.01353	0.6
73.02957	0.7
87.53030	0.6
91.35468	0.6
95.01346	0.6
95.84140	0.6
108.02156	8.6
109.02957	0.8
123.00883	22.8
123.03647	0.9
123.04520	20.1
124.01662	14.6
135.04451	0.9
136.01691	5.7
137.02426	0.8
148.01694	1.4
153.05515	0.7
162.03233	2.5
163.04048	9.8
175.73938	0.6
182.49324	0.6
233.46935	0.7
257.04437	1.0
272.06937	33.8
272.09891	1.2
286.08350	0.7
287.09274	83.0
314.08005	0.8
317.10336	100.0
359.11392	0.7
380.97394	0.6
389.70355	0.6
491.15509	2.9
513.80304	0.6
519.99780	0.7
521.16815	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81747	2.3
57.03449	100.0
59.01379	94.1
59.90900	2.1
62.32821	2.3
66.50425	2.2
71.01374	40.8
71.48223	2.3
73.02935	43.4
75.00854	3.1
83.01390	11.2
85.02947	12.9
87.00874	2.6
89.02438	15.1
99.04509	97.3
101.02435	83.0
113.02440	23.6
119.03506	3.4
121.02950	5.4
123.04487	11.1
125.02441	51.8
130.08699	3.0
131.03479	3.4
137.02449	3.7
143.03503	17.1
161.04578	11.3
165.04053	5.0
175.03967	15.0
183.02962	3.4
195.06567	3.7
203.05602	12.2
227.16454	3.5
269.04721	3.7
286.04840	3.1
299.09363	3.0
317.10242	21.0
373.18527	3.5
417.74939	3.1
477.19424	14.6
477.25433	31.4
510.10425	2.8
521.22369	31.8
521.33514	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	521.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98949	1.6
57.06626	1.5
58.02971	4.6
59.01379	4.6
61.98832	4.5
71.54072	1.6
82.02931	2.2
89.02446	2.7
90.09624	1.7
96.04515	15.0
96.96002	2.1
97.04028	3.2
100.04051	14.0
108.04535	4.8
110.02464	1.9
114.01962	2.4
117.23347	2.2
122.06110	3.8
126.01974	3.0
139.05000	1.9
140.03503	2.9
141.01759	2.6
143.20839	1.9
153.32809	2.1
166.05122	2.5
171.07776	37.1
174.01953	3.1
175.05113	35.1
177.06651	2.2
185.43706	1.9
189.03073	2.3
192.03200	2.4
192.76532	2.5
203.04613	4.2
215.06622	4.0
215.08345	2.8
217.09819	100.0
218.00894	7.7
218.04460	2.5
221.05537	3.3
229.09880	13.1
230.00914	10.6
231.07797	3.2
239.06752	2.5
243.07806	17.1
247.10854	35.2
261.08838	7.7
269.09293	4.8
270.12366	2.3
273.08597	3.5
274.08148	2.1
284.10419	13.5
287.10541	6.8
291.09949	12.8
296.10443	4.0
296.13864	1.9
312.10138	3.0
324.12082	3.7
326.11426	2.9
330.10919	9.7
331.13077	3.8
339.14749	3.8
342.11050	9.6
344.12534	8.8
356.12601	15.6
360.12219	3.0
369.15665	13.5
374.13614	17.2
413.14572	25.6
415.16364	4.7
427.16418	4.5
445.17343	64.7
521.19550	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	521.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95935	1.9
56.96368	2.2
58.02971	10.0
60.76741	1.9
62.68555	1.8
63.21816	2.3
75.78198	2.5
95.37965	2.0
96.04547	17.5
97.04053	3.8
99.00877	2.7
100.04036	18.0
108.04537	19.4
110.06142	3.6
116.92843	4.0
122.06115	2.6
122.17366	2.6
134.02507	9.1
140.03564	2.7
152.03426	2.2
163.28441	2.7
166.05074	4.9
167.85461	2.6
171.07726	44.3
175.05124	46.2
177.06639	4.0
187.08815	2.2
188.03467	3.4
189.03065	8.5
192.06694	3.0
200.05840	3.0
206.29863	2.3
215.06526	4.3
215.08360	4.2
217.09827	69.8
221.05627	4.4
229.06223	2.8
229.09810	4.1
231.07745	13.5
233.05547	4.3
243.07700	23.4
247.10939	26.9
255.07677	2.6
261.08823	5.1
269.09412	17.1
269.12262	2.3
273.08768	4.7
274.08279	3.4
284.10266	3.9
291.09933	14.7
296.10446	9.3
299.10330	5.2
301.12097	3.5
306.10947	3.1
312.10043	3.1
314.11496	2.7
317.11502	2.4
324.12253	4.7
330.10913	9.3
331.13025	5.4
339.14633	4.8
342.10999	5.3
344.12427	18.6
353.31598	2.4
356.12537	14.9
360.11935	4.4
369.15836	5.0
374.13611	27.7
413.14429	21.1
415.16159	9.6
427.16003	10.7
445.17303	100.0
477.20074	4.2
493.93942	2.6
521.18640	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	521.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	4.5
59.01384	7.8
70.93899	0.4
71.01387	2.0
73.02934	0.6
77.93980	0.3
78.95899	2.2
79.95749	0.8
85.02962	0.8
85.94633	0.4
90.15314	0.4
94.98074	2.1
96.96004	100.0
96.96898	5.0
96.97665	1.8
99.04514	5.3
101.02441	3.2
113.02460	0.7
125.02447	2.6
125.98281	0.4
126.76765	0.4
129.09235	1.6
137.15262	0.4
159.51686	0.4
161.04547	0.5
207.64833	0.4
224.01891	0.4
301.25317	0.4
377.21771	0.9
403.23669	0.5
409.13608	0.4
521.12885	0.6
521.26184	0.5
521.33685	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	521.2033
Annotation	Isobrucein A
Peak:m/z	Relative Intensity
53.22257	0.3
59.01376	0.9
59.36930	0.3
59.80116	0.3
62.55255	0.4
71.01377	2.2
73.02930	0.4
82.54542	0.4
92.23108	0.5
99.43076	0.4
101.02444	0.9
102.42582	0.5
103.85858	0.4
113.02446	0.9
113.65213	0.4
121.02911	0.5
122.03714	0.7
123.00895	0.7
131.16692	0.5
136.05264	1.9
140.47580	0.4
149.02434	2.1
149.06122	0.5
150.03236	4.2
151.03941	0.6
159.04515	2.6
160.05281	16.0
161.04666	0.7
161.06075	2.5
163.03981	4.2
164.04774	5.2
165.05557	0.9
173.06102	1.9
175.07648	33.0
177.05557	4.7
178.06360	18.1
192.07921	13.2
193.05081	0.6
193.08739	4.8
195.06714	0.7
252.23318	0.5
314.11578	1.1
329.13971	100.0
359.15030	18.8
396.07776	0.6
458.18463	0.5
521.20331	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2032
Annotation	Isobrucein A
Peak:m/z	Relative Intensity
52.39968	1.3
58.00580	1.6
59.01381	100.0
66.70482	1.5
71.00330	1.7
71.01374	47.6
73.02939	1.7
83.01395	1.9
85.02946	7.4
87.00858	1.6
89.02439	67.5
95.01379	2.2
101.02435	29.8
113.02434	28.9
119.03487	23.3
123.04519	1.8
131.03558	1.7
143.03487	2.6
159.27103	1.5
160.05316	6.7
161.04547	9.0
161.05905	1.5
163.95769	1.4
175.07600	2.8
179.05640	24.1
190.06439	13.5
197.39920	1.6
205.08673	9.2
281.08124	1.5
283.02371	2.7
284.03308	9.8
296.10529	10.0
299.05676	24.3
311.13071	3.1
329.13934	2.3
341.13904	18.1
361.41650	1.5
461.10764	3.2
521.20538	38.6
521.33185	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	521.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96890	0.9
53.91177	0.9
55.25255	1.0
59.01366	1.1
61.98825	1.4
64.52558	1.1
70.57767	1.0
74.36559	1.1
78.86880	1.0
96.96004	1.8
100.63540	1.1
109.02937	6.4
141.10197	1.1
141.47708	1.2
147.66379	1.1
153.86417	1.1
159.04509	5.9
173.06081	2.6
174.87445	1.1
189.05608	2.2
191.07135	1.6
203.07072	1.9
241.05119	1.9
255.06584	2.3
299.09216	1.7
313.10858	14.4
329.10486	7.5
343.11942	2.6
344.12662	79.5
359.15024	100.0
376.21005	1.4
394.08890	1.3
397.21579	1.4
403.25040	1.2
440.16089	1.3
521.20081	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	521.2033
Annotation	Isobrucein A
Peak:m/z	Relative Intensity
55.36959	0.2
55.85567	0.2
58.98942	0.2
59.61516	0.2
66.30611	0.2
68.29422	0.2
69.85636	0.3
71.01389	1.9
85.02940	0.7
87.00850	0.3
93.88522	0.2
101.02451	1.1
108.67371	0.3
113.02464	0.4
121.02919	1.4
122.03686	0.4
123.00849	0.4
123.04497	0.5
136.05319	2.9
137.06116	0.5
144.02588	0.3
147.04498	0.3
149.02397	1.7
149.06187	0.3
150.03198	3.9
158.03633	0.3
159.04488	3.0
160.05293	17.0
161.04552	1.9
161.06084	2.0
163.04036	3.3
164.03546	0.4
164.04794	6.1
173.06064	2.6
174.06839	1.3
175.07642	35.2
177.05585	6.0
178.06349	18.9
191.07185	0.6
192.07939	10.9
193.08742	4.8
221.25122	0.3
299.13089	0.5
314.11649	1.6
329.13977	100.0
359.15051	18.2
491.19525	0.6
512.19482	0.3
521.20819	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	521.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71898	0.9
57.03453	91.1
59.01384	68.6
69.35212	0.9
76.56728	0.9
81.03480	1.7
81.85316	0.9
84.53916	1.0
84.88894	1.0
85.02934	1.7
92.23136	2.1
99.04516	100.0
100.32997	1.0
101.02433	18.2
108.90366	1.0
125.02452	31.6
143.03520	4.3
161.04547	1.3
210.66655	1.0
259.11624	1.3
291.18375	1.7
333.19147	1.7
375.20230	1.9
415.23529	1.1
430.73615	1.1
477.23651	9.8
507.17462	1.2
521.22998	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	521.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05016	1.6
55.20601	1.4
57.03451	100.0
58.25790	1.6
58.29578	1.5
59.01100	3.7
59.01381	72.5
59.24257	1.6
77.71790	1.6
77.97205	1.8
81.50522	1.8
99.04514	84.0
101.02443	19.5
113.02401	1.9
125.02422	33.2
160.19208	2.2
435.92902	2.0
477.23471	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	521.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41378	1.2
57.03451	96.0
57.18953	1.1
58.73822	1.5
59.01383	76.2
60.01388	1.1
61.69336	1.2
71.66304	1.1
88.59975	1.4
98.47850	1.4
99.04510	100.0
101.02431	17.9
113.02442	2.0
122.19807	1.3
125.02434	33.3
133.92784	1.5
143.03464	5.2
161.79315	1.8
205.68971	1.6
242.84969	1.6
333.19165	1.9
377.25381	1.8
415.23297	1.9
477.23410	7.9
521.35168	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	521.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12974	0.6
57.03442	5.6
59.01381	38.9
71.01381	18.6
72.99304	3.4
73.02927	6.1
75.00861	7.7
83.01379	3.3
85.02943	14.3
87.00885	3.8
89.02436	6.5
93.07126	0.8
93.70360	0.7
95.01382	3.4
99.00866	9.7
99.04507	4.0
101.02439	15.0
103.00378	0.8
111.00880	1.2
113.02437	19.6
115.00343	1.1
117.01915	1.4
118.58327	0.7
125.02430	1.4
131.03404	0.8
161.04588	0.9
165.12822	3.2
174.24451	0.8
181.16003	1.6
183.13899	6.6
191.14407	1.1
209.15471	16.3
211.13403	34.2
227.12865	4.5
229.18102	1.9
235.13435	0.8
249.06180	9.1
253.14307	1.8
267.07242	1.5
271.15509	1.6
300.03070	1.0
345.19043	1.4
359.28094	1.6
377.22391	1.0
388.07312	0.8
435.53583	0.8
461.19684	1.3
521.22437	100.0
521.33307	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	521.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65075	0.7
59.01361	1.5
70.35680	0.8
71.05032	1.5
75.05111	0.9
78.95916	7.7
79.92921	0.8
85.76875	0.9
96.96928	1.2
113.09707	5.1
121.77839	1.1
130.92183	0.9
141.92162	0.8
152.99594	34.5
171.00615	1.7
171.10274	1.0
195.13988	1.7
223.17003	4.2
227.03354	1.9
235.17024	12.7
245.04340	1.0
249.22292	1.3
275.20197	10.9
293.21265	44.8
314.27454	0.9
328.98459	0.9
521.25287	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52904	1.7
51.62586	1.7
56.46244	1.3
57.03452	81.1
59.01383	84.5
61.98826	9.1
62.17615	1.5
63.20051	1.6
66.57169	1.5
82.80481	1.8
87.04505	56.8
96.96003	2.6
99.00783	2.1
99.04507	100.0
101.00683	1.8
101.02454	18.8
125.02428	44.8
143.03526	2.3
181.74525	1.9
183.48686	2.1
220.91986	2.0
248.75703	2.0
275.20377	2.5
377.21832	8.3
419.22864	11.6
521.25470	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	521.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	89.6
59.01384	91.6
60.62913	1.4
71.01371	3.2
78.95901	2.9
87.04509	48.3
98.55784	1.6
99.04514	100.0
99.05168	3.5
101.02427	19.3
125.02430	51.7
137.31140	1.8
143.03514	3.2
152.99594	20.3
195.13879	3.7
220.79170	1.6
223.13431	2.5
293.21310	16.9
377.21631	6.5
419.22607	14.1
448.38110	1.8
521.25391	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	521.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37830	1.5
57.03452	94.1
59.01384	87.5
71.01376	7.9
73.02947	2.4
76.94469	1.6
81.03477	1.8
82.44540	1.8
85.02961	3.2
99.04509	100.0
101.02440	25.1
107.36623	1.8
113.02445	2.6
116.68053	1.6
125.02436	40.1
143.03552	3.5
152.99568	7.8
161.04611	2.2
195.13899	2.5
235.17041	4.1
239.42438	1.6
275.20212	3.2
277.73331	1.8
293.21216	15.5
377.25507	10.4
419.26492	13.6
453.33914	2.0
461.31577	2.1
521.25153	28.9
521.30701	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	521.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54884	1.1
57.03451	88.9
59.01103	2.8
59.01384	67.2
59.24686	1.2
60.21844	1.3
65.14756	1.1
67.85156	1.2
71.01379	6.1
73.02941	2.8
81.03455	1.6
85.02947	5.8
99.04511	100.0
101.02444	22.4
113.02440	3.4
125.02426	42.3
143.03499	5.4
161.04568	2.7
359.24295	1.9
377.25443	12.0
419.26563	21.2
459.29581	2.6
477.30399	1.8
521.29846	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	521.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	86.9
59.01379	64.2
71.01028	1.7
71.01388	8.9
73.02928	2.0
73.39296	1.6
82.72211	1.7
85.02956	3.9
98.88628	1.7
99.04508	100.0
101.02425	25.7
113.02449	3.1
125.02438	42.8
132.50223	1.5
133.53685	1.5
143.03468	3.0
156.63722	1.5
161.04616	1.9
188.15016	1.7
377.25562	18.4
402.71384	2.1
419.26514	31.2
521.29602	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	521.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54884	1.1
57.03451	88.9
59.01103	2.8
59.01384	67.2
59.24686	1.2
60.21844	1.3
65.14756	1.1
67.85156	1.2
71.01379	6.1
73.02941	2.8
81.03455	1.6
85.02947	5.8
99.04511	100.0
101.02444	22.4
113.02440	3.4
125.02426	42.3
143.03499	5.4
161.04568	2.7
359.24295	1.9
377.25443	12.0
419.26563	21.2
459.29581	2.6
477.30399	1.8
521.29846	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	522.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23711	0.5
59.01374	0.6
66.20811	0.6
72.00895	1.0
74.02470	6.0
78.67004	0.6
86.02472	2.9
91.05525	1.4
92.05049	1.3
92.22466	0.6
111.08153	10.9
118.06613	1.3
119.42519	0.6
130.06639	0.8
131.03749	7.1
132.04541	18.1
136.07657	0.8
138.16945	0.6
144.04581	1.3
146.06145	0.8
147.04517	12.2
153.10320	4.5
157.07722	6.7
158.06062	6.2
164.07173	53.6
167.11928	1.4
168.62971	0.7
171.11380	1.5
171.37381	0.7
173.25412	0.7
175.08760	8.4
179.11859	6.0
197.12950	7.0
199.82959	0.7
219.07730	8.7
258.15042	9.3
315.17148	1.2
320.15125	2.3
327.17093	1.3
345.18359	4.4
380.31223	0.7
389.17291	0.9
490.15970	0.8
504.21243	4.8
522.22522	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	522.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76943	0.6
70.23478	0.8
71.06148	0.8
72.00901	0.8
74.02465	6.2
86.02470	1.6
91.05537	1.1
92.05043	1.9
94.82772	0.9
111.08161	7.7
118.06636	1.3
118.22810	0.7
131.03809	7.2
132.04535	16.2
144.04575	1.4
147.04518	9.3
153.10320	3.8
157.07724	9.9
158.06131	8.1
164.07176	46.3
167.11906	1.1
172.09775	1.0
175.08789	6.8
179.11871	4.3
197.12973	7.7
201.06721	1.0
219.07784	10.3
258.14938	7.5
315.17160	1.5
320.14725	1.0
327.17609	0.8
345.18158	4.1
351.90210	0.9
447.03488	0.8
497.88242	0.9
504.21454	3.3
522.22522	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	522.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.2
57.80906	1.1
59.01383	10.2
63.53380	1.2
74.02471	30.0
85.88480	1.0
92.22495	1.6
100.00398	1.7
107.90216	1.1
110.44495	1.3
111.08145	7.1
113.02399	1.6
116.05061	8.6
119.05032	4.7
120.56888	1.1
131.03758	1.2
141.63574	1.1
142.06633	2.2
150.09248	2.2
153.10373	1.3
159.09258	1.5
162.05652	1.3
163.04021	1.5
167.11929	1.7
168.10262	9.6
172.09836	2.3
175.84004	1.3
180.06677	23.7
203.08249	18.0
212.09294	12.6
225.12482	1.6
274.14633	1.6
287.17932	1.6
300.09540	1.8
331.16690	1.5
352.69803	1.1
393.16705	1.8
460.34183	1.2
522.22510	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	523.1462
Annotation	verminoside
Peak:m/z	Relative Intensity
56.98898	0.6
59.01384	1.2
73.05017	0.7
84.45663	0.6
93.03468	1.1
96.95971	1.4
100.23647	0.7
109.02943	9.3
117.54647	0.8
121.02955	4.2
122.03693	3.4
123.04503	8.1
132.71971	0.7
133.03036	0.9
148.01680	1.0
149.02429	4.3
150.03229	14.6
151.04008	100.0
163.04015	3.4
165.05530	6.5
167.03487	4.6
172.89688	0.8
224.02208	0.8
231.87172	0.8
239.07278	1.1
256.07541	0.9
257.08212	16.4
275.09277	11.7
479.15646	56.8
509.86185	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69549	0.6
59.20373	0.7
68.42455	0.6
74.03169	0.7
78.95901	27.8
91.08712	0.7
99.92550	8.7
100.93360	9.1
110.03009	0.6
110.98540	8.1
115.92063	10.9
116.92858	10.5
135.01636	0.7
141.81627	0.6
150.98012	1.2
154.94409	1.1
163.89662	0.9
164.90488	13.5
164.99535	1.7
173.64153	0.8
178.88411	15.4
178.92097	0.7
179.89212	24.6
180.89955	9.1
181.90767	0.9
193.90767	29.5
194.91568	15.1
195.92268	1.5
196.89526	20.6
210.91154	0.9
218.91460	1.2
219.92337	0.7
236.92677	1.2
249.93333	6.0
255.23232	5.3
266.93564	1.3
355.15869	1.3
371.15439	1.1
523.17755	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63877	2.4
52.52279	2.0
57.03454	100.0
59.01098	4.9
59.01381	82.9
70.26527	2.3
71.01370	4.6
73.02957	2.3
86.51221	2.3
99.04516	82.6
101.02445	30.6
113.02456	3.0
119.03487	3.1
125.02444	31.6
133.11020	2.3
143.03490	2.3
147.28790	2.9
161.04530	3.7
165.03998	2.9
183.14021	2.9
218.37880	2.4
235.12013	23.1
277.12875	3.2
379.16055	63.4
399.67908	2.9
421.17154	12.6
523.13245	4.8
523.20459	97.9
523.27618	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	523.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	3.1
59.01378	25.9
65.65404	2.9
71.01382	17.0
74.75259	3.0
78.95879	3.7
85.02924	3.4
89.02431	21.0
98.60534	3.3
99.00891	5.1
101.02448	21.4
113.02462	16.7
119.03494	6.3
124.04404	3.1
128.47548	4.0
137.09726	14.2
141.01950	28.6
155.10774	95.9
179.10672	4.8
199.09758	96.0
223.09708	47.5
241.10837	6.6
301.12894	15.9
345.08286	6.5
361.15094	48.9
421.16953	6.0
479.25720	5.1
523.20050	100.0
523.26471	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	523.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14659	0.9
58.57584	1.3
59.01382	20.8
62.51003	1.0
62.52070	0.8
71.01366	8.9
71.21609	1.1
72.76468	1.1
73.02949	7.0
75.00871	9.9
83.01382	1.5
84.50378	1.0
85.02907	1.5
89.02431	10.4
90.78268	1.2
92.22555	2.5
99.00870	10.1
101.02423	7.1
113.02442	1.5
121.02914	1.1
131.03494	2.1
143.10776	100.0
145.06444	1.1
149.04546	5.9
149.60760	1.2
157.12346	4.7
185.11868	6.9
191.05609	1.4
203.05585	1.8
227.12865	5.7
233.06725	2.0
270.31363	1.2
286.08420	1.1
301.10837	10.0
463.15735	1.8
463.22156	1.6
479.20807	1.4
490.14856	1.3
523.23511	1.7
523.35577	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	523.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	18.2
60.96867	1.4
68.40454	1.3
70.25839	1.4
71.01367	12.1
73.02921	3.0
83.01355	1.8
84.14529	1.4
85.02950	3.2
87.00881	2.5
89.02470	4.5
96.96052	1.5
99.00858	3.2
101.02431	11.5
109.02905	2.0
113.02438	6.6
113.32327	1.4
114.67017	1.3
119.03407	1.5
121.02897	1.6
122.03696	6.1
155.10786	3.6
165.05551	13.2
170.94676	1.5
179.07047	3.6
194.05769	2.5
195.06645	6.7
276.60831	1.4
343.15198	2.8
346.14139	12.3
361.16632	50.6
434.58249	1.6
456.67059	1.8
479.24777	2.6
523.21893	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	523.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98482	0.8
59.01385	16.8
71.01380	23.6
73.02937	14.1
83.01354	2.0
85.02932	9.3
89.02435	8.9
99.00877	16.2
100.59830	1.3
101.02448	28.6
113.02444	16.4
115.03954	1.3
125.02440	2.0
131.03548	1.5
141.01692	1.3
159.02989	2.5
161.04546	27.7
191.05595	1.4
224.54671	1.1
233.06566	1.1
331.17630	17.2
338.86737	1.1
463.21909	100.0
467.28873	1.2
471.61716	1.6
479.21390	11.7
523.23102	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	523.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	12.6
57.03460	11.7
59.01384	66.9
71.01003	2.6
71.01378	48.0
73.02953	10.8
75.00858	12.1
83.01384	7.9
85.02943	24.1
87.00858	3.2
89.02442	34.2
95.01349	3.4
99.00857	3.1
99.04509	9.8
101.02440	54.0
111.00900	2.2
113.02440	25.2
117.87885	1.5
119.03475	10.1
125.02388	2.1
129.01938	8.8
142.66995	1.7
147.03011	8.6
165.04037	15.3
165.12843	18.4
183.13890	47.0
195.13936	17.2
209.11839	1.7
213.14998	6.9
227.12921	15.5
229.18123	3.3
273.17383	1.9
273.74588	1.7
361.29587	13.4
375.16360	3.3
375.20398	43.1
379.23550	2.7
523.23792	100.0
523.34937	94.9
523.41052	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	523.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32845	1.9
59.01107	3.7
59.01387	100.0
66.01428	1.9
71.01384	5.3
73.02943	8.3
73.17059	1.9
78.44924	2.0
83.01370	3.5
85.02956	5.2
87.00897	2.9
101.02455	5.0
113.02464	3.3
125.06055	3.5
128.78786	2.4
153.28467	2.2
211.22827	2.4
305.19760	3.2
419.22940	63.2
437.24091	23.5
479.25046	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	523.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
65.60020	1.0
68.88999	1.0
69.57158	1.0
71.01379	5.8
73.02955	2.4
85.02963	7.6
87.00871	6.4
101.02431	9.6
113.02441	2.6
123.04516	2.3
125.06044	1.9
133.26044	1.1
137.95177	1.5
297.68661	1.1
305.19873	2.3
401.22174	1.7
419.22949	41.1
437.24023	17.1
479.25165	18.8
523.36273	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	523.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34203	0.5
52.90906	0.4
54.23643	0.4
55.31144	0.5
57.03442	1.4
59.01381	35.3
59.26208	0.5
69.69889	0.6
71.01377	27.1
73.02931	5.0
83.01372	2.1
85.02937	7.5
87.00863	0.9
89.02435	31.8
92.23066	0.6
95.01390	0.9
97.02928	1.0
99.00861	2.8
101.02441	20.4
111.00872	0.9
113.02461	10.2
115.03989	0.9
119.03513	1.2
125.02451	3.4
131.03485	10.3
131.67677	0.7
138.80963	0.5
143.03485	0.9
149.04506	4.5
161.04527	4.3
162.73601	0.6
173.66737	0.6
179.05714	0.6
180.95107	0.7
191.05690	5.1
218.57420	0.7
331.17499	1.8
346.14099	0.8
361.16489	3.5
417.15997	0.6
417.38071	0.6
463.21909	100.0
522.72717	0.7
523.27374	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	523.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19570	0.6
51.66441	0.6
57.03448	1.4
59.01384	74.6
71.01363	9.1
73.02950	5.3
83.01388	1.7
85.02946	4.8
87.00881	0.8
89.02431	4.5
89.54504	0.6
99.00877	2.9
99.04539	1.2
101.02435	14.6
101.07481	0.8
113.02446	7.3
118.96877	0.8
122.03696	1.2
122.84653	0.8
125.02406	1.1
143.03470	1.1
161.04503	1.8
175.03987	0.8
191.03564	0.9
215.16515	1.3
260.56821	0.8
325.10812	1.4
375.24081	1.3
377.21707	2.9
379.16156	0.8
402.36911	0.7
437.23898	1.4
461.23792	1.3
463.21829	4.5
479.25021	100.0
508.17252	1.2
523.19922	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	523.24
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.8
55.82629	0.7
57.03448	3.8
59.01382	40.0
65.66152	0.6
69.82118	0.7
71.01373	30.7
73.02940	7.7
75.94628	0.7
80.52749	0.7
83.01370	1.6
85.02948	9.4
87.00867	1.4
89.01877	1.5
89.02432	32.9
95.01356	1.2
96.49030	0.7
97.02968	2.9
98.12817	0.6
99.00880	1.4
99.04516	1.4
99.29630	0.7
101.02447	24.8
103.68398	0.8
109.04449	0.7
111.00864	2.9
113.02449	9.9
119.03494	3.3
125.02422	3.8
131.03485	13.5
143.03496	0.9
149.04526	5.4
159.02948	0.9
160.65816	0.8
161.04559	4.7
191.05611	3.6
200.51712	0.8
293.08603	1.0
326.25534	0.8
331.17737	3.8
360.44907	0.7
373.33197	0.9
463.21915	100.0
523.27795	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39516	1.1
59.38544	1.0
61.81587	1.2
65.10270	1.1
66.45555	1.2
78.95903	5.4
100.94133	1.2
113.09668	1.9
117.60015	1.2
118.86533	1.3
129.02022	1.3
142.42198	1.1
152.99606	13.5
169.03659	1.4
171.00659	2.7
181.12480	1.9
195.13914	41.0
277.21722	35.3
295.19455	2.7
295.22803	83.8
523.26782	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14616	0.7
56.88106	0.7
57.03445	1.1
59.01383	6.7
61.98827	4.0
78.95895	8.4
79.71474	0.9
99.04499	1.7
111.08072	0.8
113.09745	1.5
124.04666	0.9
147.04099	0.9
152.99576	32.1
160.17952	1.0
171.00642	3.7
177.12830	1.0
195.13904	28.9
227.03217	3.9
277.21759	25.2
292.23282	1.0
295.22803	65.4
296.98215	1.0
418.62637	1.0
523.26819	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	3.0
59.01378	15.7
67.71656	0.5
71.01378	10.4
73.02958	4.1
74.88390	0.6
77.18597	0.5
83.01385	0.9
84.23186	0.6
85.02952	4.4
85.18847	0.5
89.00123	0.6
89.02422	4.2
95.01357	0.8
99.00893	1.1
99.04508	0.7
101.02454	8.2
113.02425	6.3
125.02471	1.1
131.03590	0.8
138.90137	0.7
143.10838	1.3
149.04597	2.5
160.62688	0.7
164.07211	1.4
165.07561	0.9
171.65150	0.6
201.66721	0.6
211.17149	0.9
229.18079	44.9
243.19669	1.1
339.30399	0.6
373.22415	8.7
391.23413	100.0
487.23026	0.7
523.27948	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	523.349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.1
57.03441	3.5
59.01110	0.7
59.01385	16.4
60.77469	0.5
71.01379	16.0
72.79034	0.5
72.99311	0.6
73.02937	11.5
75.00855	1.0
82.47040	0.6
83.01373	4.6
85.02947	11.1
87.00878	1.0
89.02464	1.2
95.01400	1.2
97.06587	0.6
99.00867	3.1
99.04504	0.8
101.02440	23.3
111.00883	3.4
111.08142	0.7
112.31706	0.6
113.02436	9.4
114.44843	0.5
116.75558	0.5
125.02457	0.9
129.01886	0.7
131.03470	0.6
133.76115	0.6
138.82674	0.6
159.02971	2.6
161.04558	0.9
173.11806	1.0
181.24753	0.6
185.15488	1.2
224.09229	0.6
229.18076	3.8
315.25589	0.6
345.26529	3.3
359.28058	3.6
361.29596	6.6
465.84668	0.6
491.16727	0.7
523.23010	2.7
523.34937	100.0
538.47174	0.6
540.56549	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
59.38979	2.2
68.22795	2.2
69.81218	2.5
97.06592	5.6
102.78637	2.4
116.84324	2.2
125.08823	5.3
125.09708	100.0
143.03337	2.4
169.08829	4.8
187.09772	47.5
243.12404	4.5
244.34106	2.6
261.13467	10.6
266.71725	2.4
279.23270	66.0
484.27420	2.6
523.36542	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	523.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55904	0.8
62.33935	0.8
85.54437	0.9
85.76172	0.8
94.53921	0.8
96.26378	0.8
97.06598	8.5
105.47596	0.9
123.08160	1.5
125.09718	100.0
169.08691	4.0
187.09778	42.8
243.12407	10.1
261.13483	9.5
279.23312	70.2
308.78616	0.9
368.04153	1.2
523.36487	64.4
523.44446	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	524.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08774	2.3
55.38133	2.0
59.01373	9.9
61.98830	9.6
64.13253	2.1
66.51289	1.9
75.21366	2.0
78.95911	8.4
89.02423	2.8
92.24641	2.2
95.69740	2.3
110.06065	4.9
122.06128	9.4
130.20660	2.3
134.06105	2.5
136.07625	3.6
152.07150	3.8
180.06685	30.3
183.13861	2.3
184.14250	4.3
188.07159	11.9
239.11940	12.8
240.12505	2.3
241.13632	3.4
250.51471	2.5
263.11816	4.1
265.09802	13.4
266.10620	5.6
267.11307	10.5
279.08078	3.3
279.11334	9.4
280.12186	10.5
281.12991	2.7
293.09335	13.3
307.10959	26.3
308.11639	59.4
311.10483	3.1
340.10663	24.5
352.10764	3.9
390.14734	2.9
418.17709	4.6
420.15329	4.1
430.17825	20.0
448.19220	19.1
492.17776	73.2
524.20654	100.0
524.26617	4.7
524.28418	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	524.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89392	0.5
56.94587	0.5
57.93199	0.5
61.65458	0.5
61.98836	1.0
78.95895	13.7
83.05009	3.6
83.30271	0.5
89.63100	0.6
110.03819	0.5
122.00114	0.9
122.24931	0.7
125.06064	0.6
125.39381	0.6
129.09219	8.2
134.68716	0.5
140.01187	11.1
141.09198	4.7
152.99608	3.2
155.30656	0.7
163.11298	3.7
165.12842	4.5
185.11819	23.7
196.03825	15.0
197.11852	20.7
209.11847	78.4
214.04900	3.3
227.12912	1.0
249.64691	0.6
273.18292	0.7
291.19675	4.7
309.20834	2.2
319.20319	0.6
327.21701	5.4
462.32336	0.7
524.26349	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	10.8
61.98819	1.5
71.01382	1.3
77.21218	0.9
78.95899	12.2
80.31615	1.0
83.05023	6.9
83.13581	1.0
88.53428	0.9
96.96979	1.0
105.71123	1.1
110.31330	1.0
117.71063	1.1
129.09218	8.9
140.01157	4.9
141.09225	5.6
152.99588	4.9
163.11276	4.0
165.05800	0.9
165.12862	2.4
171.00626	1.9
185.11833	28.5
185.89713	1.2
191.10738	1.0
196.03763	1.6
197.11836	24.4
209.11856	79.2
214.04869	5.5
291.19632	1.8
327.21744	12.6
473.83264	1.2
524.26349	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.7
59.59260	0.5
61.98825	0.7
70.41106	0.5
78.95904	100.0
86.43507	0.4
96.96969	7.7
114.71091	0.5
124.92255	0.5
140.01195	1.1
145.02956	0.5
148.71637	0.6
152.99586	34.2
171.00644	46.1
174.67697	0.5
214.05002	0.6
216.60829	0.5
242.53874	0.5
275.35522	0.5
350.13846	2.3
368.90421	0.6
424.17444	3.3
450.22855	1.1
524.26361	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	525.1616
Annotation	Inumakilactone A glycoside
Peak:m/z	Relative Intensity
54.10859	2.0
56.51368	2.1
57.03453	92.8
59.01384	94.3
64.52114	2.5
66.79383	2.5
81.16048	2.1
84.24509	2.2
99.04511	100.0
101.02443	15.5
108.51978	2.7
125.02449	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	525.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35143	1.7
57.03449	30.4
59.01382	29.0
59.74672	1.8
71.01363	3.4
71.71323	1.8
89.02444	2.3
99.04520	29.0
101.02430	13.2
111.00893	2.0
120.28127	1.8
125.02446	3.3
127.12276	2.0
158.40703	2.1
161.04570	17.5
161.07201	75.6
161.64496	1.8
173.35371	1.9
204.07774	77.0
230.09377	77.5
242.09410	3.9
260.10388	4.6
272.10510	32.3
284.10516	4.6
320.12424	19.1
338.09418	3.2
338.13605	100.0
356.38379	2.1
380.14511	9.7
381.14224	45.5
381.18945	3.0
423.15598	2.1
465.15060	2.8
482.17703	35.2
525.17908	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	525.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06707	1.4
57.03455	17.5
57.16366	1.6
59.01103	3.8
59.01381	76.8
59.01681	2.5
61.98841	2.0
62.21941	2.3
68.00394	2.2
68.06239	2.1
71.01379	39.8
73.02937	22.6
76.45554	2.0
78.33587	2.4
83.01379	2.4
85.02935	17.5
87.00860	2.9
89.02442	18.6
95.01368	3.7
99.00889	18.7
99.04518	11.1
101.02438	51.4
113.02438	34.1
122.70451	2.3
125.02408	5.4
131.07152	17.3
159.02948	3.3
161.04570	27.7
167.03441	2.5
185.08183	5.0
218.65823	2.5
236.35281	2.6
249.13441	28.8
275.10846	2.6
307.17636	9.3
349.18573	2.7
363.16830	3.4
381.17688	61.4
415.33469	2.6
423.18839	4.2
439.22324	3.1
481.23441	100.0
525.22064	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	525.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	9.8
59.01376	14.0
60.99313	11.5
63.71129	0.9
67.79600	0.8
71.01384	2.3
78.08286	0.8
85.02929	1.0
88.98796	100.0
99.04510	12.6
101.02425	5.5
113.02457	1.1
120.99126	0.9
125.02415	6.3
149.40976	1.0
153.01945	1.8
161.04507	1.2
258.24091	1.3
333.19247	3.7
399.47055	1.0
423.22345	4.5
435.22589	14.3
465.23663	7.0
497.77597	1.2
511.44110	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00785	1.4
57.03199	1.9
57.03450	38.1
59.01108	2.4
59.01382	48.2
71.01378	26.4
73.02930	15.5
83.01382	3.7
85.02956	18.5
87.00835	2.6
89.02402	10.7
95.01353	2.5
96.70296	2.1
99.00848	7.6
99.04502	20.0
99.47837	1.9
101.02432	41.9
113.02440	21.7
121.02974	2.7
125.02454	12.5
131.03474	2.6
143.03462	3.9
150.03139	4.2
150.72556	1.8
159.02913	3.8
161.04558	20.2
175.07738	2.4
195.06671	2.4
206.05298	2.0
249.11076	2.9
249.13435	55.2
317.10248	7.0
363.16675	4.2
381.17682	86.7
421.20651	3.4
423.18738	13.8
439.21671	2.2
447.31595	2.2
477.18961	4.0
481.23062	15.0
525.21796	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14473	0.6
57.03453	7.8
59.01380	9.0
60.99311	10.9
61.31918	0.6
71.01392	0.7
71.20335	0.6
88.98798	100.0
99.04519	8.7
101.02419	2.9
125.02433	4.9
129.15785	0.7
143.03447	0.7
175.64421	0.6
435.22278	6.7
454.62512	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10892	0.9
54.48011	1.0
59.01381	10.2
70.12930	1.0
71.01383	1.4
73.02937	1.5
80.23257	0.9
81.65443	1.1
85.02953	1.5
100.58085	1.0
101.02444	1.8
102.13895	0.8
107.40784	1.0
107.69098	0.9
113.02417	1.2
117.03491	3.5
133.02933	4.9
134.03741	74.7
149.06087	9.8
160.01662	23.5
175.04001	44.2
178.02707	1.4
193.05078	54.6
233.08240	1.7
289.14490	1.3
306.14935	1.2
307.15637	1.6
335.15125	1.5
431.50586	1.2
465.21396	2.2
483.22339	2.5
525.23474	100.0
545.06671	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10892	0.9
54.48011	1.0
59.01381	10.2
70.12930	1.0
71.01383	1.4
73.02937	1.5
80.23257	0.9
81.65443	1.1
85.02953	1.5
100.58085	1.0
101.02444	1.8
102.13895	0.8
107.40784	1.0
107.69098	0.9
113.02417	1.2
117.03491	3.5
133.02933	4.9
134.03741	74.7
149.06087	9.8
160.01662	23.5
175.04001	44.2
178.02707	1.4
193.05078	54.6
233.08240	1.7
289.14490	1.3
306.14935	1.2
307.15637	1.6
335.15125	1.5
431.50586	1.2
465.21396	2.2
483.22339	2.5
525.23474	100.0
545.06671	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63405	0.7
55.01879	6.2
59.01151	0.8
59.01382	11.7
62.12894	0.6
66.62830	0.6
70.67466	0.6
71.01379	11.7
71.81984	0.7
73.02917	1.3
75.00862	7.2
83.01367	2.8
85.02947	7.1
86.35752	0.7
87.00864	0.9
87.88261	0.7
89.02432	5.3
90.05663	0.7
95.01373	1.1
98.57967	0.7
99.00858	1.0
101.02438	12.5
108.48886	0.8
111.00859	0.7
113.02426	5.5
115.47752	0.8
119.03448	1.0
123.08656	0.7
125.02435	1.5
129.01875	5.1
147.02943	3.9
165.04039	1.2
197.15401	1.6
215.16528	37.3
257.17575	0.8
359.20877	8.4
377.21844	100.0
512.15149	0.8
525.25391	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	525.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.3
55.10344	0.5
57.03449	3.1
59.01102	1.2
59.01382	24.4
69.11378	0.6
69.76747	0.6
71.01009	1.3
71.01378	27.7
72.99326	0.7
73.02947	12.0
75.00875	2.8
76.07797	0.7
83.00961	0.7
83.01376	6.0
85.02943	14.7
86.00084	0.8
87.00840	1.7
89.02425	6.0
95.01398	1.6
97.02918	0.9
99.00869	5.2
99.04501	1.0
101.02437	32.0
102.34345	0.7
102.42151	0.7
111.00903	7.0
113.02433	13.4
125.02423	1.2
129.01941	1.4
134.12997	0.7
134.59552	0.7
141.01961	1.0
144.10995	0.6
147.02997	1.3
159.02992	3.1
160.01668	0.7
161.04567	4.1
175.04007	1.3
208.75468	0.7
209.19006	0.8
215.16510	17.3
359.20718	1.4
359.45706	0.8
363.23956	4.2
377.21844	34.3
465.30847	1.5
484.33762	1.0
525.29816	100.0
553.93542	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20712	0.8
55.01905	1.0
57.03441	5.4
59.01102	2.1
59.01382	38.9
61.98817	4.6
71.01374	21.4
71.21127	0.9
72.68255	1.1
73.02944	9.8
79.57892	1.0
83.01380	1.9
85.02951	8.2
87.00867	1.2
89.02431	12.6
97.02883	1.2
99.00835	2.3
99.04509	5.3
101.02435	28.2
113.02435	13.8
116.49813	1.3
125.02401	2.5
131.03496	7.4
143.03438	1.9
161.04553	2.0
191.65677	1.1
209.47386	1.2
269.23340	1.1
289.78574	1.2
333.22815	6.4
465.27072	100.0
525.32733	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	525.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68623	0.8
51.30081	0.8
56.81077	0.7
57.03440	1.0
59.01380	13.8
65.46835	0.7
71.01379	24.3
73.02950	6.3
76.98377	0.9
83.01377	1.3
83.41043	0.9
85.02944	9.0
89.02424	4.8
94.80704	1.0
99.00869	1.2
101.02443	13.0
111.08141	4.4
112.81189	1.1
113.02444	9.2
118.14012	0.9
122.83076	0.9
136.76241	0.9
161.04451	1.5
165.12851	23.1
174.08214	1.0
183.13902	83.3
188.21667	0.9
207.71956	0.9
209.11832	4.4
227.12816	1.2
423.41089	0.9
525.30774	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89222	3.6
57.03459	10.5
59.01386	73.2
61.98830	22.6
62.35601	4.0
67.84831	4.8
68.73734	4.7
71.01358	5.1
78.96237	4.2
79.53039	4.1
85.45409	4.7
85.69379	4.7
91.08826	4.5
99.04517	6.8
101.02463	10.1
138.30247	4.7
183.11218	4.6
185.15004	4.7
192.55220	4.8
197.32703	5.0
223.02879	9.8
289.46317	5.4
353.94296	5.3
465.27090	20.1
525.32288	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34642	5.9
57.03444	17.4
59.01381	46.8
59.56413	6.0
61.98848	7.1
68.16599	6.8
70.55814	6.0
77.40152	7.0
88.98801	30.5
99.04516	15.6
101.02406	9.5
125.02399	14.9
135.89232	7.5
438.56122	7.5
525.21826	10.7
525.33734	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
62.32516	1.8
69.66321	1.6
74.54911	1.8
77.82446	1.6
88.98615	1.8
95.72153	1.8
116.92846	2.0
124.99953	1.7
125.09722	2.3
186.11366	11.1
253.72169	1.9
266.19809	2.1
328.59381	2.0
400.58905	2.0
406.61249	1.9
465.36957	8.3
489.35648	2.0
528.51471	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	526.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	100.0
57.80740	1.0
59.01382	41.0
59.34848	1.0
61.98835	1.2
68.05989	1.0
68.63925	1.0
69.03434	1.5
71.01384	13.6
73.02941	29.5
75.00887	1.1
78.95905	16.0
83.01409	8.4
85.02924	1.9
89.02452	1.5
99.04511	72.5
101.02446	39.9
113.02435	7.1
123.04482	1.9
125.02435	38.0
131.03505	1.3
143.03513	7.2
152.99591	4.9
155.03474	1.8
161.04535	5.1
171.00658	6.6
203.05582	4.5
215.16496	4.8
216.16872	2.8
305.76569	1.3
377.21521	5.2
378.22192	18.1
482.16946	8.2
526.18036	6.8
526.26862	31.1
544.01038	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89476	0.6
57.03445	1.1
59.01365	3.2
61.98832	2.5
69.73746	0.6
71.01366	0.9
85.02953	0.9
89.28281	0.6
99.04495	0.8
101.02429	1.6
114.24120	0.7
114.40972	0.7
125.02399	0.9
172.29599	0.8
227.08336	0.8
227.11894	1.3
239.11835	4.9
244.19119	0.7
249.13504	0.8
250.13794	0.8
254.10570	2.8
255.11343	1.3
264.09048	1.2
265.09842	7.7
266.10519	3.9
267.07703	1.0
267.11371	2.6
277.06140	1.3
281.09409	0.7
282.10114	7.8
283.10898	17.2
285.08762	3.7
292.08545	15.6
293.09320	6.4
295.07504	4.6
295.10211	0.8
299.10291	1.1
310.09555	5.7
311.10489	14.6
313.08484	5.0
313.11584	0.7
314.12518	1.0
324.11255	6.8
325.11963	1.6
327.09821	3.7
338.06378	0.7
342.12152	3.9
381.17612	1.0
382.17929	1.4
432.15222	0.8
450.16870	0.9
508.17041	1.2
526.18207	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	526.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46159	0.4
57.03453	1.2
59.01382	3.9
61.98837	4.9
62.72837	0.4
76.33831	0.4
78.95904	100.0
81.87773	0.4
96.96957	23.0
99.04548	1.8
125.02441	0.9
125.92526	0.4
142.44911	0.5
240.02783	5.0
282.03873	61.7
294.21570	0.6
422.65295	0.5
424.14868	0.5
463.25400	1.1
526.24316	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	526.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
65.32571	0.7
78.95904	100.0
96.96957	11.7
113.85833	0.5
240.02853	2.5
282.01392	0.7
282.03848	27.9
526.24261	50.0
529.99573	0.6
554.51978	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54336	0.5
55.33607	0.6
73.83340	0.6
75.63879	0.8
78.95904	16.3
92.22504	1.4
99.08165	5.5
123.14460	0.7
127.11316	1.4
140.01189	10.1
152.99567	3.3
155.14429	1.0
167.14439	0.8
171.00621	1.0
171.10265	3.9
183.13873	8.6
193.12379	3.8
196.03801	13.3
201.15123	0.9
209.11795	1.4
211.13416	60.3
214.04959	3.9
229.14461	36.6
293.21237	1.4
329.23419	29.4
483.30505	0.8
526.27948	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29660	0.4
51.75673	0.4
53.82602	0.4
61.98827	0.6
74.45510	0.4
76.44064	0.5
78.95905	100.0
96.96965	7.0
152.99586	31.5
171.00648	43.9
452.24414	5.2
526.27948	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	526.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09407	0.8
55.05846	0.8
57.45837	1.0
59.48059	0.8
65.88763	0.9
84.22678	1.0
97.06571	5.1
104.08461	0.9
111.08137	1.2
125.09715	86.3
142.12418	1.1
152.10753	4.2
169.08672	1.5
186.11360	49.0
186.13037	1.6
208.26314	0.9
239.33043	1.1
278.21335	2.3
314.23422	1.1
322.20203	7.3
339.22910	50.6
377.99695	1.2
394.21124	1.2
449.14990	1.0
526.35016	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93241	0.4
60.34023	0.4
64.74699	0.4
68.68343	0.4
71.26658	0.5
78.95896	14.4
92.14498	0.4
93.90166	0.4
110.98521	55.8
133.27028	0.6
152.99556	4.5
159.57645	0.5
185.02202	100.0
311.08890	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10622	2.3
51.67525	2.6
53.75476	2.5
55.58988	2.8
55.99291	2.7
57.03195	4.4
57.03453	96.8
58.13227	3.1
59.01381	100.0
62.29713	3.1
66.76108	2.9
71.01386	7.1
75.00890	7.4
75.29042	3.0
85.02929	5.8
99.00831	5.4
99.04517	97.4
101.02452	23.4
101.06076	65.6
113.02434	12.5
115.65312	3.2
116.39546	3.1
119.05043	5.4
125.02428	35.7
134.03745	13.6
151.47153	3.3
163.04013	5.3
174.43237	3.5
175.03984	13.1
193.05043	7.2
206.15863	3.5
249.06033	6.6
351.12985	37.8
380.23679	4.0
425.23184	4.8
501.13702	4.6
527.17517	76.7
538.73315	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	527.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	81.2
59.01384	100.0
71.01405	3.3
73.89824	1.4
75.00875	8.7
81.03490	1.8
85.02961	6.1
99.00891	3.3
99.04510	88.4
101.02443	20.3
101.06078	29.8
103.00374	52.9
103.03990	2.0
113.02439	9.5
119.05003	1.3
120.05032	1.3
125.02427	35.4
126.85503	1.4
134.03734	7.1
143.03499	2.7
163.03958	2.7
167.92073	1.5
173.13336	1.5
175.03992	2.6
183.38359	1.6
193.05115	6.2
251.52441	1.6
290.78192	1.6
351.12909	11.9
360.13647	1.6
483.18814	7.5
527.17780	45.1
527.24658	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	527.1773
Annotation	Deoxyloganic acid tetraacetate
Peak:m/z	Relative Intensity
52.63661	0.7
52.85405	0.8
53.31976	0.7
57.03451	39.8
59.01395	5.2
69.63053	0.6
71.01381	1.2
71.05013	18.1
73.02938	1.1
81.03412	0.8
96.09076	0.8
99.04514	35.5
99.05162	1.4
101.02463	8.2
105.03452	1.4
107.05051	1.2
113.02466	1.2
121.02950	11.0
123.04547	0.7
125.02447	24.7
134.03741	26.7
143.03462	3.0
144.79025	0.7
147.00864	3.9
149.09708	6.6
161.02444	5.0
161.04596	1.0
177.09253	6.5
189.02068	1.1
221.08205	100.0
305.08865	8.9
383.13486	1.1
527.17645	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	527.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45913	1.6
57.03449	94.9
59.01380	91.8
61.98827	1.8
65.67625	1.4
71.01379	3.2
81.03451	2.7
85.42449	1.7
89.30513	1.6
93.05986	1.6
96.67151	1.6
99.04507	100.0
100.19541	1.6
101.02436	18.3
103.00360	8.4
112.38469	1.9
113.02461	3.1
119.05014	35.3
125.02449	43.2
143.03471	2.6
145.02977	12.4
161.04428	2.2
163.03992	47.8
182.93520	2.0
206.25150	1.7
339.14294	2.2
340.12341	1.8
483.18835	4.0
527.21307	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	527.1774
Annotation	Deoxyloganic acid tetraacetate
Peak:m/z	Relative Intensity
55.32595	1.4
57.03450	66.4
59.01384	63.4
71.01374	12.9
71.05020	16.5
71.06046	1.7
73.02956	2.4
76.33754	1.9
85.02943	3.5
88.98797	8.8
89.02431	3.4
99.04514	60.7
101.02438	28.6
113.02422	18.8
113.06081	2.3
119.03478	3.3
121.02940	13.5
123.04588	2.7
125.02428	34.0
134.03761	22.9
140.44339	2.3
143.03494	5.0
147.00867	2.7
149.09717	3.2
161.02417	33.0
161.04529	34.0
177.09242	9.1
189.01949	2.9
203.97275	2.0
213.19914	2.3
219.03011	9.7
221.08197	100.0
247.34074	1.9
261.14554	2.3
288.17548	2.2
309.06143	2.8
425.91019	2.5
527.17749	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	527.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07402	2.1
50.89245	2.0
51.12033	2.7
53.73291	2.5
53.85129	2.2
54.29819	2.3
54.78930	2.4
57.03451	98.9
59.01382	93.5
71.01379	5.3
71.61697	2.5
80.96469	2.8
85.26147	2.6
88.98788	27.4
89.02421	3.5
99.04522	100.0
101.02438	18.5
113.02457	5.1
116.92829	11.2
117.01928	3.0
125.02441	36.5
135.04472	11.4
161.04526	4.0
225.00731	4.8
271.80267	2.9
350.70901	2.8
421.18912	2.9
483.18939	4.2
527.17804	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	527.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34221	0.3
57.00162	0.3
57.03453	0.4
59.01366	0.7
62.91450	0.3
69.80612	0.3
70.26968	0.3
71.01379	4.8
73.02958	1.5
78.95891	0.4
78.98589	4.4
79.95727	4.2
80.96516	35.3
81.03435	0.5
85.02940	1.7
85.22500	0.3
85.89202	0.3
87.00865	1.9
94.98077	10.8
96.95979	0.6
97.02926	2.0
101.02442	2.6
106.98081	2.8
113.02403	0.4
119.14117	0.4
121.11663	0.4
122.97563	2.5
125.02410	3.9
134.97578	4.7
136.99141	1.7
148.99150	5.3
152.98636	6.3
164.98618	16.0
165.12869	0.7
167.00107	0.5
183.13918	7.9
204.54675	0.4
206.99716	3.6
222.87550	0.4
225.00755	33.0
227.12968	0.6
299.04477	4.4
483.18973	1.9
509.17249	0.6
527.18085	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24277	0.6
71.01382	1.7
73.02927	0.8
74.80274	0.7
78.98595	2.8
79.95747	1.5
80.96044	1.3
80.96513	27.2
82.04176	0.6
85.02929	1.0
87.00870	1.5
89.28275	0.7
94.98072	9.7
97.02918	0.9
101.02447	1.6
106.98109	0.9
122.97553	3.3
125.02403	3.2
125.80921	0.7
134.97589	1.7
135.76810	0.7
136.99091	1.2
148.99144	4.7
152.98630	8.7
164.98599	12.5
182.99765	1.2
183.13869	5.0
206.99715	5.6
225.00768	31.7
241.19235	0.9
243.01863	1.6
299.04465	5.0
413.06943	0.8
527.18097	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	527.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72517	0.7
57.03444	0.7
58.42676	0.7
58.69319	0.7
59.01134	0.9
59.01382	14.1
63.22711	0.7
69.47618	0.6
71.01379	10.0
72.99311	2.0
75.00864	13.7
84.10947	0.8
85.02947	13.2
87.00879	4.0
89.02425	3.5
92.22475	0.9
95.01361	3.8
99.00877	7.9
103.00347	1.1
113.02440	13.7
115.00380	1.1
117.01933	1.2
125.69261	0.7
129.01973	1.3
175.02640	0.9
213.98982	0.9
222.98799	0.8
249.06262	6.0
277.21744	63.9
370.74905	0.9
383.85275	1.0
458.93594	0.9
489.36072	1.0
527.28668	100.0
528.75665	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.8
59.01146	0.6
59.01380	11.3
59.18261	0.6
66.79762	0.6
67.41564	0.7
71.01369	10.2
72.99299	3.0
75.00858	10.0
85.02945	12.4
87.00875	4.4
89.02466	4.7
95.01376	3.7
99.00880	5.8
103.00361	0.9
113.02437	14.5
117.01918	1.4
131.03500	0.7
135.98448	0.7
148.58049	0.9
249.06171	1.3
267.07285	1.4
277.21732	44.1
527.28656	100.0
534.86212	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79991	6.1
55.17793	5.9
57.35241	7.3
59.01382	35.2
60.50045	7.6
69.23409	6.5
112.46217	11.0
114.29165	8.0
116.69947	8.4
224.30730	9.3
242.80176	9.0
527.29999	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
63.97812	0.4
65.96730	0.4
70.99207	0.4
83.73022	0.4
101.89458	0.4
119.73294	0.4
120.15250	0.4
122.51512	0.4
168.44548	0.4
187.45946	0.4
200.58771	0.5
225.94147	0.5
277.21759	7.1
306.76801	0.4
431.98056	0.5
527.32239	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67875	0.9
55.96448	0.9
56.02922	0.9
59.01380	100.0
85.06586	1.3
87.00806	1.0
90.36271	0.9
142.77403	1.1
166.25124	1.1
167.35999	1.1
196.38670	1.1
288.52948	1.2
352.36356	1.1
381.24365	5.9
467.31665	39.3
527.33850	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	527.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63932	1.2
55.02373	1.5
58.97625	1.2
60.75613	1.2
62.36286	1.3
63.02959	1.5
68.95129	1.5
85.68644	1.4
87.20901	1.4
90.93558	1.3
91.94671	1.5
96.94540	1.3
97.06583	7.5
97.59677	1.3
116.49310	1.4
123.08205	2.6
125.09718	100.0
132.77477	1.4
147.47649	1.4
168.81445	1.5
169.08635	1.8
187.09770	42.9
243.12347	9.0
261.13400	7.9
283.26419	77.3
457.68216	1.5
527.39624	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	529.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.17938	0.3
73.78562	0.4
78.95908	3.5
79.95750	1.5
92.23207	0.3
96.96008	100.0
96.96918	10.7
103.05627	0.3
130.08705	0.5
130.47081	0.3
134.03738	1.9
137.02469	0.8
149.06056	2.4
178.02788	1.6
187.10881	3.4
189.46423	0.4
193.05080	8.9
290.93546	0.4
355.10455	0.5
431.11725	0.7
529.08917	0.5
529.16223	2.8
549.54034	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28872	3.1
57.03452	100.0
59.01380	59.7
59.22041	2.6
59.83571	2.9
71.01379	22.5
73.02930	16.5
85.02919	4.2
89.02421	12.0
95.01395	4.0
99.04517	88.3
101.02433	32.5
113.02448	16.8
114.27081	3.5
119.05003	22.5
125.02443	61.6
130.26773	3.3
134.03746	5.2
143.03529	5.8
157.01276	3.4
193.05136	3.7
277.75864	4.3
281.10291	7.7
323.11337	31.4
337.74631	4.1
341.12405	24.6
342.88403	4.2
383.13699	26.5
472.66400	3.5
485.16644	22.6
529.31018	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	529.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28872	3.1
57.03452	100.0
59.01380	59.7
59.22041	2.6
59.83571	2.9
71.01379	22.5
73.02930	16.5
85.02919	4.2
89.02421	12.0
95.01395	4.0
99.04517	88.3
101.02433	32.5
113.02448	16.8
114.27081	3.5
119.05003	22.5
125.02443	61.6
130.26773	3.3
134.03746	5.2
143.03529	5.8
157.01276	3.4
193.05136	3.7
277.75864	4.3
281.10291	7.7
323.11337	31.4
337.74631	4.1
341.12405	24.6
342.88403	4.2
383.13699	26.5
472.66400	3.5
485.16644	22.6
529.31018	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	529.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87685	0.9
57.03455	12.5
59.01382	26.6
66.43951	0.9
68.13065	0.7
71.01376	11.8
72.99298	1.8
73.02945	21.8
75.00862	10.0
79.95724	0.9
85.02945	23.0
87.00814	2.2
89.02376	4.8
94.00766	0.9
95.01318	5.4
97.02951	0.8
99.00871	7.4
99.04512	20.1
101.02392	5.6
103.00333	3.7
103.04011	30.0
113.02447	23.3
115.00323	1.8
117.01885	1.3
117.03436	1.3
125.02438	11.7
129.01936	1.0
134.03728	19.5
143.03458	0.9
149.06042	2.1
160.01575	2.0
175.02487	1.2
175.04025	8.2
179.03395	1.4
193.05064	26.4
202.27415	1.0
205.12247	1.6
231.04919	1.5
249.06140	10.7
267.07034	2.1
314.10217	1.6
323.09915	1.1
335.09546	5.4
346.12744	1.0
353.10904	21.0
385.14020	1.2
385.18634	2.1
427.19598	2.3
441.05792	1.3
511.13968	2.2
529.15173	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	529.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03182	0.7
59.01375	1.1
63.04478	0.7
66.58761	0.8
96.95992	1.4
113.02453	1.0
131.05019	6.3
134.03740	24.1
135.04648	1.1
137.02454	1.9
149.06076	43.9
149.59528	0.8
178.02710	38.2
179.03474	1.5
186.63341	0.9
193.05067	100.0
343.21893	1.0
397.11267	8.7
443.15793	1.0
485.16992	9.4
487.14886	5.8
529.15582	40.3
529.24683	1.3
529.26990	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	529.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12741	1.0
57.03452	100.0
57.39750	1.2
58.35032	1.0
59.01384	93.1
71.01373	2.5
73.02953	1.4
74.71786	1.2
75.23539	1.1
81.03458	1.3
83.98241	1.2
85.02956	1.4
88.04089	1.3
99.04513	99.5
101.02457	22.4
113.02456	1.3
125.02441	43.7
143.03522	3.0
150.18457	1.2
161.04568	5.2
341.12372	6.4
383.13718	2.8
485.16653	5.8
529.18530	1.7
529.26904	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	529.157
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33961	1.2
57.03452	59.6
59.01383	83.5
59.01684	2.7
71.01372	26.3
73.02943	50.9
75.00860	1.4
83.01376	11.8
85.02950	6.6
89.02457	14.0
99.04513	47.8
101.02435	61.5
102.23804	1.3
113.02454	16.0
119.03533	2.6
119.05006	11.0
125.02439	30.1
131.03490	2.7
137.06059	2.2
143.03484	5.7
153.09167	2.0
161.04579	7.9
203.05655	1.3
218.11574	1.4
299.11349	1.5
315.82715	1.6
323.11566	1.9
341.12424	100.0
367.17834	2.2
383.13525	15.9
385.14651	1.8
385.18991	1.5
427.19986	13.2
485.16959	2.3
485.23526	2.3
529.21118	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	529.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	45.9
57.59425	0.9
59.01097	1.9
59.01381	38.0
61.09772	1.0
70.06687	1.0
71.01378	14.6
71.30070	1.0
73.02951	12.4
73.68553	1.0
76.61416	0.9
83.01385	1.8
85.02933	5.4
89.02441	7.4
98.79712	1.1
99.04510	48.7
101.02425	23.9
105.07135	1.2
113.02444	12.7
118.37278	1.2
119.03490	1.8
125.02425	26.6
125.06120	1.4
138.06895	4.3
139.07675	2.5
143.03542	1.4
151.07658	7.4
152.08408	16.6
153.09209	53.7
161.04602	4.6
173.56137	1.1
205.12317	21.1
223.13403	8.4
367.17487	10.1
385.18796	13.9
388.21124	1.2
420.87283	1.4
427.19897	14.3
467.22778	2.3
472.09766	1.2
485.23956	6.0
529.23029	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	529.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	57.0
58.20585	1.3
59.01383	72.4
59.01680	2.5
60.80882	1.5
70.39902	1.4
71.01381	16.6
73.02937	3.3
73.51725	1.5
83.01405	1.7
84.03452	1.6
85.02946	6.2
89.02444	10.2
90.59366	1.4
95.01409	1.4
99.04512	100.0
101.02440	19.8
105.92879	1.6
111.96544	1.5
113.02455	16.5
114.25112	1.4
125.02438	57.1
131.03549	1.7
139.07623	2.0
143.03528	6.2
151.07643	3.6
152.08453	25.9
153.09224	36.4
161.04622	5.0
205.12325	16.4
223.13524	5.7
367.17685	21.8
385.18698	35.7
427.19775	45.5
467.23029	3.1
485.23975	23.3
529.23022	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	529.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34222	1.0
57.03453	69.6
59.01383	100.0
71.01376	21.6
73.02949	18.7
79.94025	1.1
81.03445	1.9
83.01385	2.5
85.02950	2.4
89.02435	19.0
92.59209	1.2
99.04514	98.4
101.02444	41.2
113.02435	19.1
119.03461	8.0
119.05029	2.0
125.01534	2.0
125.02439	57.9
133.76112	1.2
135.02968	1.3
143.03535	8.4
161.04506	8.6
179.05635	1.6
181.87085	1.2
202.67023	1.2
203.05101	1.1
221.06770	2.0
231.59489	1.1
290.91220	1.1
335.79166	1.8
341.12448	26.1
367.17670	9.9
383.13483	2.2
385.18860	8.7
427.19836	25.3
467.22672	2.6
485.23740	6.4
529.22980	36.6
550.27203	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	529.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28935	0.6
50.89997	0.5
58.02966	1.6
59.98516	0.6
62.51477	0.6
63.69691	0.6
65.05009	0.8
71.01329	0.6
72.04537	0.6
73.12601	0.6
74.02469	38.8
74.82356	0.7
92.23141	0.6
95.95779	0.8
98.02468	9.3
99.00869	2.9
99.66728	0.7
100.04044	1.4
109.06585	2.5
118.05095	100.0
122.09730	0.9
138.34087	0.6
148.07645	1.0
157.06265	0.9
165.10358	0.8
166.08736	5.6
175.07245	15.6
203.08391	1.2
219.11353	2.8
249.12436	3.2
293.11496	1.0
296.01303	0.7
325.14078	4.2
421.88644	0.8
454.20013	2.8
472.20932	19.5
529.23059	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	529.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02967	1.8
59.01371	1.0
71.01373	1.0
72.00912	3.6
74.02465	15.3
83.55550	0.8
88.34126	0.8
98.02470	1.8
99.00868	0.9
100.00365	0.9
102.52656	0.8
105.75513	0.8
109.06602	7.1
116.04276	1.1
116.05045	16.8
118.05104	23.5
120.00242	0.8
122.09740	1.1
125.85800	0.9
127.05088	1.3
139.58971	0.7
142.06599	2.9
150.06682	0.9
152.07166	3.9
157.06210	0.7
157.07518	0.9
159.09241	8.6
166.08725	4.4
167.46266	0.7
175.08405	1.4
180.97847	0.9
186.05421	0.9
203.08281	87.0
210.07732	1.4
220.76175	0.8
223.53806	1.1
249.12524	1.1
267.13458	3.2
293.11340	1.3
311.12601	1.1
440.18320	1.9
472.20905	8.4
482.27988	0.9
529.23022	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	529.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02967	1.8
59.01371	1.0
71.01373	1.0
72.00912	3.6
74.02465	15.3
83.55550	0.8
88.34126	0.8
98.02470	1.8
99.00868	0.9
100.00365	0.9
102.52656	0.8
105.75513	0.8
109.06602	7.1
116.04276	1.1
116.05045	16.8
118.05104	23.5
120.00242	0.8
122.09740	1.1
125.85800	0.9
127.05088	1.3
139.58971	0.7
142.06599	2.9
150.06682	0.9
152.07166	3.9
157.06210	0.7
157.07518	0.9
159.09241	8.6
166.08725	4.4
167.46266	0.7
175.08405	1.4
180.97847	0.9
186.05421	0.9
203.08281	87.0
210.07732	1.4
220.76175	0.8
223.53806	1.1
249.12524	1.1
267.13458	3.2
293.11340	1.3
311.12601	1.1
440.18320	1.9
472.20905	8.4
482.27988	0.9
529.23022	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	529.3019
Annotation	Kukoamine B
Peak:m/z	Relative Intensity
57.04045	0.9
59.01376	11.7
61.98824	3.5
67.61964	0.7
69.03508	0.7
71.01380	8.0
71.01715	0.7
72.99293	1.6
73.02940	0.9
75.00861	10.9
85.02946	11.8
87.00861	4.1
89.02421	3.3
95.01366	2.1
99.00860	8.8
102.70018	0.8
113.02442	15.1
115.00365	1.6
117.01918	1.0
142.68620	0.9
151.84229	0.7
218.74457	0.9
249.06209	8.8
267.07294	1.1
279.23303	87.6
305.86823	1.0
402.79752	0.9
529.30219	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3023
Annotation	Kukoamine B
Peak:m/z	Relative Intensity
53.01570	0.5
57.03445	1.3
59.01383	9.5
61.78843	0.5
67.21960	0.5
71.01379	10.3
71.59824	0.7
72.85578	0.5
72.99300	1.4
73.02940	0.8
75.00866	9.9
85.02945	13.1
85.89902	0.5
86.77751	0.5
87.00876	4.7
89.02445	4.9
95.01362	3.6
97.99767	0.5
99.00863	7.2
103.00381	0.8
113.02439	20.6
115.00356	0.6
117.01928	0.8
129.01936	0.8
132.96503	0.5
205.07173	0.6
242.78696	0.6
248.58212	0.6
249.06247	2.3
267.07211	1.0
279.23306	60.8
529.30231	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	529.3026
Annotation	Kukoamine B
Peak:m/z	Relative Intensity
50.58616	0.9
52.40386	1.0
56.12482	1.0
59.01388	13.0
71.01377	2.7
85.02927	1.4
89.02427	6.5
101.02441	5.0
113.02479	1.8
117.06995	1.0
119.03527	1.5
171.10303	1.8
195.13971	13.1
196.14705	1.6
223.13394	8.0
228.88759	1.3
229.42422	1.2
253.09265	29.8
275.20227	10.3
293.21259	100.0
411.82986	1.5
420.40436	1.2
529.30298	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	529.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34936	0.8
53.56561	0.9
59.01383	100.0
72.85164	0.9
73.06078	0.9
73.31963	0.9
73.40858	0.8
73.90729	0.8
74.24156	0.8
77.81624	1.0
79.95841	0.9
82.33346	0.9
143.93271	1.1
157.91063	1.1
164.18489	1.1
233.69531	1.1
279.23438	7.1
466.76187	1.2
508.54172	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	529.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48064	0.3
57.03445	1.6
59.01382	100.0
61.98838	0.4
74.68699	0.3
78.83430	0.3
94.66094	0.3
98.73656	0.3
99.04520	2.0
101.02438	0.4
109.00316	0.3
120.92834	0.4
125.02425	0.6
131.53946	0.4
234.01413	0.4
256.80887	0.4
293.21371	0.8
529.28564	0.7
529.36255	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	529.354
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47936	0.6
59.01382	100.0
61.98844	0.6
72.41693	0.6
81.22267	0.6
108.61260	0.5
147.94991	0.6
157.06567	1.3
240.12480	0.8
247.05368	0.7
293.21170	2.5
351.47025	0.6
529.36078	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	529.354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72772	0.7
52.48041	0.7
59.01382	100.0
61.91057	0.7
62.51975	0.6
73.92426	0.7
74.02622	0.7
76.66136	0.6
82.69942	0.8
96.40998	0.6
103.89962	0.8
109.22942	0.8
135.05350	0.7
222.08936	0.7
311.20242	0.7
344.88321	0.9
406.27924	0.7
504.25708	0.7
529.35431	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	530.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00259	0.4
57.75265	0.4
58.74622	0.4
59.01404	0.4
67.43230	0.3
68.70123	0.4
78.95895	4.6
106.04102	2.3
152.99602	2.6
164.11494	0.5
168.04323	1.9
186.55188	0.5
189.33768	0.5
192.83911	0.4
224.06973	8.8
242.08035	1.8
252.73534	0.6
255.23314	100.0
255.99794	0.5
275.06668	0.5
319.71704	0.5
321.33902	0.5
329.46402	0.6
480.31006	54.2
501.51944	0.5
513.02686	0.5
530.30157	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	531.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	11.5
63.52729	1.3
67.09311	1.8
87.95755	1.3
97.93686	1.6
107.31892	1.3
193.05038	2.7
211.03996	12.9
227.07082	2.4
239.03557	25.7
240.04280	20.0
267.03000	77.8
268.03790	41.7
268.06635	1.3
279.41367	1.6
282.05356	59.5
283.06137	73.0
283.09265	2.5
487.12534	100.0
531.14935	1.7
531.27844	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	531.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92039	0.9
56.15253	1.0
60.97212	1.1
71.01382	9.1
71.79674	1.0
73.04063	1.1
74.02450	1.5
75.00870	8.4
78.01671	1.1
81.68358	1.1
85.02945	8.6
85.04043	1.4
86.61320	1.2
87.00876	2.7
89.02436	4.7
95.01392	2.2
96.95998	2.3
98.13389	1.1
98.95551	1.1
99.00876	6.3
103.00343	1.7
113.02430	27.8
113.03555	1.4
115.00381	1.3
117.01960	1.7
125.03776	1.2
129.06683	1.6
134.03725	17.8
135.04549	2.1
139.96471	1.4
149.06056	7.7
161.02431	2.4
169.09781	1.4
175.02521	2.4
175.04033	7.6
179.03474	2.4
187.10960	1.8
193.05072	55.3
200.14088	2.2
207.05232	2.1
219.02931	1.4
225.09978	2.1
243.11028	8.3
249.06158	25.6
257.16183	2.0
267.07156	48.3
313.15222	1.4
411.09113	2.0
425.10916	2.1
443.12088	28.5
471.22055	1.6
501.23843	1.6
531.13617	100.0
531.24213	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	531.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90862	0.6
60.12164	0.4
69.30849	0.5
71.01385	0.8
75.03107	0.6
82.69442	0.6
93.54034	0.5
108.67088	0.6
128.74039	0.5
132.02150	0.7
133.02930	0.6
134.03737	37.5
135.04448	0.7
137.02438	3.5
149.06071	25.9
160.01648	16.8
161.02417	4.0
175.04001	39.7
176.32129	0.7
178.02711	45.6
192.04283	1.4
193.05066	100.0
230.60599	0.6
312.69983	0.6
323.07690	2.6
337.09326	23.1
363.11475	0.9
531.15137	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	531.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.8
71.01376	4.5
73.02948	1.2
75.49663	0.9
99.00867	6.3
99.04489	2.2
101.02419	3.7
104.30759	0.9
113.02419	1.5
120.81137	0.9
133.02969	4.2
133.06187	2.3
134.03745	61.7
135.04544	10.2
137.02425	7.1
149.06068	35.7
160.01642	19.4
161.02444	38.1
175.04004	59.1
178.02718	64.1
179.03444	10.6
182.79172	1.2
192.04309	12.7
193.05070	88.7
207.06628	6.4
221.04445	1.5
253.05099	1.2
292.70956	1.0
323.07758	26.8
337.09384	26.9
488.22409	2.1
531.15192	100.0
531.22894	5.8
533.08008	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09054	0.2
52.46530	0.3
53.74015	0.2
59.01384	21.6
71.01398	0.3
74.02453	0.4
89.73724	0.3
118.05110	1.3
126.69919	0.3
135.50012	0.4
251.03728	0.4
252.04292	31.6
267.06647	100.0
415.70285	0.4
427.97668	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12642	0.5
57.98470	0.6
58.20092	0.5
59.01373	3.5
59.21820	0.5
62.84674	0.7
65.00330	0.6
72.89690	0.7
74.02493	1.5
83.93688	0.7
92.22507	1.0
93.03464	6.0
96.95974	1.0
107.56090	0.6
116.13833	0.7
117.12971	0.6
121.03016	0.8
121.88467	0.6
137.02438	2.9
154.08716	0.8
163.00351	0.8
165.01924	30.9
178.02722	1.7
203.08282	1.5
212.04749	1.2
240.04300	6.8
243.06558	4.4
244.96445	0.7
255.06662	1.3
256.03787	3.6
267.41342	0.8
268.03882	0.8
271.06146	47.1
283.02457	11.1
283.05832	1.0
284.03329	10.4
297.04047	5.4
298.04724	5.0
299.05640	100.0
341.06674	3.8
380.91187	0.8
531.15027	4.3
531.22498	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	531.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.7
59.01121	0.7
59.01379	7.1
61.58994	0.4
63.71833	0.6
71.01373	1.1
73.02942	1.0
85.02943	2.1
89.02421	2.0
91.81138	0.5
99.04512	3.4
99.44080	0.5
101.02430	2.0
113.02411	4.1
120.96322	0.6
121.02942	61.5
125.02417	1.1
136.01651	21.6
145.06642	0.8
151.03999	96.2
151.75548	0.5
160.05347	0.5
175.07639	1.3
205.43143	0.5
255.03014	0.6
284.03381	1.1
285.04059	2.7
312.10110	4.8
327.12399	100.0
494.34375	0.5
531.20239	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	531.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	6.2
65.72675	1.4
69.03429	1.6
71.01382	8.0
75.00861	12.8
85.02943	12.8
87.00873	6.7
87.14825	1.4
89.02448	3.1
95.01395	1.5
96.96012	10.4
99.00881	7.0
99.20229	1.6
107.39942	1.5
113.02434	22.6
117.01903	2.8
119.96304	1.3
123.08155	6.8
134.03732	2.5
134.93175	1.3
149.06110	2.1
165.05606	2.0
167.61940	1.6
171.11844	7.1
189.12831	2.7
193.05049	13.2
201.12927	2.9
207.13922	2.6
211.03128	1.6
219.13876	1.8
231.05121	2.2
237.14999	13.4
246.76263	1.9
249.06172	26.8
250.58495	1.4
252.06595	1.9
267.07224	26.1
281.13916	9.4
397.05908	1.6
449.62540	1.6
454.24805	1.6
531.13556	26.2
531.20898	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	531.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76838	0.6
57.03435	3.9
59.01102	1.2
59.01379	22.5
65.03828	0.6
66.43678	0.6
68.99837	0.8
69.03464	0.9
71.01371	11.5
83.05036	0.9
85.02945	14.0
86.87140	0.6
87.00872	7.4
89.02396	1.1
93.03479	0.8
95.01366	2.8
99.00845	0.9
99.04505	2.8
101.02422	2.9
103.00356	1.3
111.00845	1.0
112.01672	1.0
113.02440	31.1
116.92854	0.7
129.01935	3.4
131.03471	0.8
134.03690	1.1
135.11763	0.9
153.07259	0.6
157.01352	0.7
160.01627	1.0
161.09705	4.5
161.13354	3.5
163.11334	1.0
175.03996	3.3
178.02687	1.0
187.11278	4.3
189.09148	2.5
193.05064	4.4
205.07162	4.4
205.12326	1.3
207.10141	0.9
219.35500	0.7
223.13461	0.9
229.64781	0.7
249.06142	1.3
263.07623	3.9
281.08838	14.2
306.37350	0.8
337.09433	1.1
460.34598	0.8
531.20844	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.3
55.51334	0.3
57.03462	3.6
59.01379	22.5
68.99797	1.8
69.03437	0.7
71.01371	13.6
83.01375	0.6
83.05039	0.6
85.02940	15.6
87.00863	5.6
89.02421	2.0
91.03983	0.7
93.03464	0.5
95.01385	4.0
99.00827	0.5
99.04498	2.6
101.02441	0.9
103.00371	3.3
103.03996	0.6
105.35800	0.4
111.00849	2.0
112.01656	1.8
113.02435	35.7
129.01958	1.7
131.03500	0.5
133.10252	0.5
135.11766	0.8
139.00374	1.0
157.01399	0.7
161.09666	4.3
161.13332	5.2
163.11282	3.0
165.09189	8.7
179.10754	1.0
187.11275	4.7
189.09206	1.9
205.07204	3.5
205.12296	1.7
207.10272	2.4
214.57547	0.5
223.13397	1.9
249.06189	3.2
249.08374	0.4
263.07635	3.1
281.08755	17.1
286.66937	0.4
298.55026	0.5
309.13504	1.5
310.69415	0.5
327.14468	0.6
341.16107	0.5
369.15558	2.6
499.18204	2.4
531.20868	100.0
534.08795	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54420	0.7
58.02979	0.8
59.98502	0.8
64.25235	0.7
67.71410	0.7
74.02472	17.3
86.02459	3.4
98.02492	0.9
99.00867	1.6
109.06596	5.8
118.05087	35.8
121.07978	0.9
122.09707	0.9
127.05118	1.1
131.03751	1.8
132.04536	11.6
134.09776	3.4
148.11372	2.8
152.07137	0.8
152.10774	5.4
155.76202	0.8
157.07692	8.8
158.06128	1.2
166.08737	1.3
175.07193	3.6
175.08746	4.2
178.08736	0.9
180.10277	1.8
197.21779	0.8
201.06685	1.7
210.11342	20.8
215.90041	0.9
219.07748	20.4
236.09235	1.3
254.10387	1.8
279.13538	1.3
297.14569	1.6
304.94653	0.8
311.12582	1.8
329.13715	1.0
355.13400	1.1
456.17896	1.8
474.18954	7.1
531.21008	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	531.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47048	0.8
61.77404	0.8
70.76334	0.8
74.02469	34.9
97.06572	7.1
100.00391	3.8
116.05052	16.8
128.25635	1.1
135.71397	0.9
136.07722	1.9
140.07159	14.9
142.06627	2.2
153.10310	3.2
154.08739	16.9
158.08205	5.8
159.09213	6.8
192.07765	0.9
198.07736	20.8
198.28772	1.0
203.06493	1.8
203.08282	31.6
211.10820	1.5
216.08716	1.5
229.11938	1.1
255.09901	2.2
273.10709	1.4
283.05920	1.2
283.14343	1.7
313.15527	1.1
314.18671	1.0
402.16736	3.8
493.28302	1.0
531.22510	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	531.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80897	2.3
57.03194	4.0
57.03453	79.1
59.01102	4.2
59.01381	92.1
69.02404	2.2
71.01391	14.1
71.59821	2.3
73.02954	3.9
89.02422	15.9
92.78722	2.7
99.04504	100.0
99.60490	2.7
101.02444	21.5
103.26916	2.5
111.13592	2.4
113.02461	9.8
125.02449	43.7
143.03488	8.7
150.46214	2.7
163.11270	5.0
189.12877	6.1
207.13939	10.3
231.15732	2.6
299.92639	3.0
331.31027	2.8
387.20245	10.7
411.37970	2.7
429.21304	34.2
531.17731	3.8
531.24609	50.4
539.69568	2.9
540.60358	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	531.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66300	0.9
54.12482	0.9
56.79954	1.2
57.03451	52.8
59.01383	48.0
63.91089	1.2
64.26920	1.4
71.01377	10.1
73.02945	4.9
80.62566	1.2
81.70535	1.1
85.02959	2.3
89.02425	6.2
95.01411	1.4
96.95998	1.3
99.04508	44.4
101.02421	17.5
103.57189	1.0
103.64248	1.3
112.44997	1.1
113.02434	7.9
119.03522	2.2
121.02977	6.1
123.08148	5.4
125.02436	17.8
143.03447	2.1
145.74808	1.3
151.04022	8.8
161.04578	3.0
163.11302	2.8
189.12859	12.1
193.05006	2.3
207.13846	14.4
225.14967	2.6
239.03667	1.5
268.03802	100.0
283.06143	93.5
327.12393	6.7
387.20322	5.0
429.21597	12.2
469.24506	2.9
487.25745	1.7
531.24573	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	531.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70665	0.7
57.03193	1.5
57.03454	33.8
59.01382	43.7
61.89455	0.8
68.11424	0.9
71.01376	13.7
73.02939	12.1
83.01397	1.8
85.02950	7.7
87.00861	5.0
88.24768	1.0
89.02437	10.7
95.01379	1.9
99.04517	25.9
101.02449	19.1
112.01681	1.3
113.02442	24.8
113.06079	1.8
113.88575	0.9
119.03500	1.3
123.04523	6.4
125.02429	10.2
139.59448	1.0
141.05582	3.8
143.03426	1.8
149.04576	10.0
161.04503	1.7
161.09720	1.6
161.13297	1.7
165.09206	100.0
183.02609	1.1
187.11345	1.6
193.05016	1.6
205.12399	1.4
207.10275	1.5
223.13359	2.1
263.07623	1.5
281.08832	9.2
327.14587	10.0
369.15536	17.0
399.16513	3.9
531.21399	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	531.245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50250	0.8
57.03452	36.5
58.00572	0.9
59.00387	0.9
59.01382	61.5
71.01374	30.4
73.02927	6.3
83.01387	2.1
85.02935	10.5
89.02438	26.7
92.22523	1.0
95.01405	3.3
98.86866	0.9
99.00876	1.1
99.04510	48.6
99.23731	0.8
101.02433	30.9
109.60448	0.9
113.02441	29.9
115.36346	1.1
119.03490	10.4
125.02436	26.4
143.03468	3.8
149.04623	1.1
152.08397	7.5
161.04512	3.6
179.05638	1.2
225.14934	6.5
369.19214	23.2
372.17853	1.3
387.20267	100.0
410.99396	0.9
429.21326	30.4
469.24243	1.1
487.25531	6.0
531.24518	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	531.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15277	4.1
57.03454	54.4
59.01142	6.0
59.01390	88.7
71.01371	28.3
75.09552	6.4
81.09384	4.9
85.02394	4.7
85.02940	8.3
89.02438	22.2
99.04521	77.6
101.02453	55.2
113.02449	26.3
119.03471	8.3
125.02422	43.4
143.03532	6.9
161.04408	6.0
225.14966	9.0
337.86823	6.5
369.19205	28.2
387.20279	100.0
429.21231	21.6
487.25403	10.0
531.24829	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	531.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03201	1.8
57.03456	41.0
59.01386	65.7
70.90617	1.4
71.01383	24.9
73.02939	8.5
85.02941	6.0
89.02445	24.0
99.00857	2.5
99.04517	38.5
101.02438	32.7
113.02454	16.7
119.03497	10.1
121.02938	8.1
125.02448	22.7
136.01758	2.0
143.03543	2.7
151.04037	12.5
161.04515	3.3
180.31772	1.4
193.26367	1.9
225.14996	14.3
264.07898	3.0
268.03845	3.7
279.10379	3.6
282.09076	5.8
283.06226	7.0
294.09094	9.8
297.11401	10.1
309.11456	7.3
311.11697	1.7
327.12561	10.9
337.39566	1.8
359.92157	1.8
369.19321	10.8
387.20306	48.4
401.89755	2.0
429.21329	22.8
469.24442	3.4
487.25763	3.7
531.24585	100.0
541.56470	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	531.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10379	0.6
53.44846	0.6
56.57626	0.6
58.02979	1.1
72.82533	0.7
74.02470	31.7
75.74774	0.6
78.47569	0.6
93.64226	0.7
98.02458	3.2
101.30286	0.6
109.92319	0.6
111.08131	4.2
116.05046	7.7
118.05093	26.7
126.01971	1.1
139.05075	0.8
142.06609	0.8
150.09239	0.9
153.10335	1.2
157.06108	0.9
159.09258	2.7
167.11919	1.5
168.10246	5.4
183.04080	1.6
194.08282	0.6
203.08284	39.7
207.15132	1.0
211.14584	1.1
212.09154	4.9
215.24829	0.6
225.16136	1.1
239.13918	0.7
251.14059	4.9
269.15088	9.4
295.13052	11.9
297.16177	1.3
313.14136	13.1
323.51471	0.8
324.20975	1.0
345.16782	3.3
354.21704	2.4
398.21039	1.0
442.19739	10.5
469.20276	0.7
474.22461	14.2
531.24658	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	531.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10379	0.6
53.44846	0.6
56.57626	0.6
58.02979	1.1
72.82533	0.7
74.02470	31.7
75.74774	0.6
78.47569	0.6
93.64226	0.7
98.02458	3.2
101.30286	0.6
109.92319	0.6
111.08131	4.2
116.05046	7.7
118.05093	26.7
126.01971	1.1
139.05075	0.8
142.06609	0.8
150.09239	0.9
153.10335	1.2
157.06108	0.9
159.09258	2.7
167.11919	1.5
168.10246	5.4
183.04080	1.6
194.08282	0.6
203.08284	39.7
207.15132	1.0
211.14584	1.1
212.09154	4.9
215.24829	0.6
225.16136	1.1
239.13918	0.7
251.14059	4.9
269.15088	9.4
295.13052	11.9
297.16177	1.3
313.14136	13.1
323.51471	0.8
324.20975	1.0
345.16782	3.3
354.21704	2.4
398.21039	1.0
442.19739	10.5
469.20276	0.7
474.22461	14.2
531.24658	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	531.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32409	1.0
59.01382	14.8
66.25049	1.0
73.02926	1.3
74.02092	1.2
74.02470	23.9
82.75022	1.0
86.25422	1.1
98.02430	2.2
99.00856	2.3
101.02411	1.4
111.08128	2.7
113.02390	1.8
118.04340	1.7
118.05098	37.9
125.02411	1.5
125.66199	1.1
128.82484	1.1
134.03705	7.5
137.13617	1.1
137.88513	1.1
141.00200	1.1
149.05978	2.7
150.09184	2.3
153.87833	1.1
154.08656	1.5
157.06133	2.6
161.02400	4.2
167.11845	1.7
168.10300	7.8
175.03923	6.9
178.02652	5.2
183.04007	5.7
193.05054	11.8
203.08179	8.4
207.14925	2.5
221.12793	1.3
221.15344	1.7
225.15901	4.6
243.67224	1.5
251.14072	13.0
252.04286	2.2
267.06659	13.1
269.15051	21.2
295.13004	21.7
313.13904	7.2
323.07852	2.1
337.09256	2.1
442.19702	2.0
456.21268	5.0
474.22488	31.7
531.15088	10.1
531.24365	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	531.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95800	0.7
57.03446	1.3
58.60641	0.7
59.01382	43.9
59.92758	0.8
70.90401	0.6
71.01370	10.0
73.02936	19.5
77.61376	0.8
83.01389	4.4
85.02930	1.7
85.77855	0.8
87.00864	1.0
89.02446	4.9
95.01343	0.8
99.04517	1.9
99.83675	0.8
101.02435	16.8
101.68324	0.7
113.02442	4.5
113.05959	0.9
119.03503	0.8
120.00174	0.8
125.02417	1.7
165.12917	1.5
171.10146	0.9
211.13336	1.1
229.14491	1.4
247.20627	3.2
280.66928	0.9
291.19730	15.0
309.20801	5.1
320.40350	0.8
327.21732	1.7
471.25717	1.4
489.27100	1.2
531.28174	100.0
532.37463	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
61.58912	78.2
84.71423	85.3
86.37910	76.4
89.30048	91.5
101.62299	77.3
107.65491	75.9
121.11631	72.3
128.68472	86.7
145.01158	76.4
145.84131	80.2
163.09796	100.0
164.03270	80.6
309.94232	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	531.31
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20816	63.1
60.45171	77.9
66.20163	77.5
70.20757	87.6
75.68111	85.1
84.24781	99.2
89.47426	77.5
131.43541	89.4
265.38382	83.5
267.34689	85.0
294.12048	91.6
352.66153	100.0
354.37885	97.1
366.87323	85.5
380.16321	91.2
380.69373	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	531.318
Annotation	L-olivosyl-erythronolide B
Peak:m/z	Relative Intensity
52.85287	0.7
57.03442	1.0
57.94910	0.5
59.01379	11.1
71.01373	10.1
72.99306	2.9
73.02936	0.7
75.00866	8.9
85.02946	16.3
87.00874	3.7
89.02442	4.3
92.23090	1.1
95.01379	4.2
99.00891	5.9
101.02460	0.7
103.00362	0.9
108.75892	0.6
113.02434	21.7
115.00333	1.1
117.01919	1.1
129.01968	0.8
181.15657	0.6
205.07071	0.8
249.06146	1.2
267.07184	2.4
281.24869	74.7
531.31763	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3183
Annotation	L-olivosyl-erythronolide B
Peak:m/z	Relative Intensity
56.92622	0.6
57.03423	0.9
59.01386	10.7
62.54073	0.6
69.54906	0.5
71.01378	7.8
72.99303	2.8
75.00867	9.1
85.02940	11.8
87.00871	3.3
89.02440	1.4
89.23555	0.6
95.01387	3.2
99.00879	5.8
113.02439	10.3
117.01983	0.9
125.98843	0.6
129.01932	0.7
149.04800	0.7
189.03999	0.8
207.92531	0.8
233.38089	0.8
248.77338	0.8
249.06232	7.8
281.24884	91.5
313.97949	0.7
367.96832	0.7
500.21671	0.9
516.36755	0.9
531.31818	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	531.3182
Annotation	L-olivosyl-erythronolide B
Peak:m/z	Relative Intensity
50.74637	0.7
51.61227	0.8
55.04369	0.9
59.01376	31.7
71.01391	1.7
89.02434	4.1
101.02440	5.3
144.19044	1.0
161.04601	1.2
171.10258	6.4
179.67979	1.0
195.13908	18.0
244.70695	1.0
253.09267	21.8
277.21762	28.4
295.22806	100.0
373.69714	0.9
389.57263	1.1
531.31384	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	531.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38214	0.6
54.39542	0.6
54.41993	0.6
57.03442	1.3
57.35303	0.6
59.01382	100.0
62.40750	0.5
67.15675	0.7
80.07781	0.7
106.00700	0.6
110.78939	0.6
113.20473	0.7
119.24139	0.6
130.10216	0.8
191.94305	0.8
199.27049	0.7
295.21844	0.9
470.66391	0.7
471.06958	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07130	0.6
55.54630	0.7
59.01384	100.0
75.96768	0.6
80.47842	0.6
84.03843	0.7
91.97378	0.7
109.10703	0.7
130.12425	0.8
156.41631	0.7
209.17564	0.7
368.30228	0.7
467.57742	0.8
468.23090	0.8
531.37018	1.1
545.15729	0.8
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
50.36197	0.6
56.65076	0.6
57.03457	1.2
57.84673	0.6
59.01382	100.0
61.98828	0.9
69.85169	0.7
84.01735	0.7
105.78297	0.8
113.02475	1.0
142.14368	0.8
198.45786	0.8
201.75119	0.8
234.93936	0.8
288.23441	0.9
297.01492	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41335	1.1
55.01871	1.2
56.84244	1.0
60.30060	1.0
74.02464	5.0
78.82918	1.2
86.02485	2.9
92.05054	2.0
98.02493	1.2
99.00868	31.7
109.06561	4.7
110.06113	1.7
118.05103	10.9
121.65420	1.1
131.03787	3.0
132.04541	16.5
133.06194	14.9
134.09731	2.4
144.04530	5.5
152.07150	5.7
157.07683	13.8
158.06108	6.0
159.04111	5.4
160.16849	1.4
164.10820	2.1
166.08730	1.9
175.08714	11.7
201.06743	1.9
219.07761	20.6
259.78680	1.3
267.15167	2.2
355.13068	2.7
372.15805	1.9
441.17764	1.9
471.18909	34.5
489.19995	8.3
515.18164	1.7
532.20557	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75921	0.3
54.85170	0.3
59.01373	0.6
71.85389	0.3
151.00362	0.5
163.00409	0.6
185.06131	0.6
187.03944	0.3
197.06120	1.5
213.05504	1.4
227.03499	7.5
229.05089	7.8
239.03590	0.9
241.05042	0.7
255.02995	24.5
256.03796	3.4
257.04578	6.3
265.82349	0.4
267.03052	1.2
284.03287	100.0
285.04065	69.2
310.47986	0.4
318.50662	0.4
409.17203	0.4
422.71683	0.4
468.69388	0.4
489.10446	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	533.0942
Annotation	Luteolin 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
54.44703	0.7
57.03474	0.9
57.77758	0.5
59.01383	0.8
59.77448	0.6
69.09498	0.5
71.50065	0.6
76.90511	0.6
101.48139	0.6
115.31696	0.6
151.00377	1.0
163.00381	1.2
197.06151	0.9
199.04117	0.7
204.11684	0.7
227.03491	5.7
229.05032	6.7
239.03505	1.1
241.05029	1.0
255.03006	23.1
256.03784	3.0
257.04651	6.6
284.03284	100.0
285.04068	63.0
347.31918	0.8
489.10461	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	533.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43999	0.6
55.12775	0.6
56.50660	0.6
63.32879	0.7
67.05408	0.6
67.95089	0.6
98.61108	0.6
104.74876	0.7
167.69089	0.6
181.29883	0.7
190.22115	0.7
200.67088	0.7
230.75815	0.7
269.04437	1.6
270.99878	0.8
271.02344	6.9
285.04105	2.7
286.04788	0.8
299.01990	44.2
313.03555	22.4
314.04352	100.0
328.05954	6.5
329.06683	74.5
329.10760	1.4
383.96008	0.8
479.71115	0.8
533.13116	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	533.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.3
59.01387	10.5
60.11502	1.0
71.01383	11.1
75.00851	11.4
83.01387	1.9
84.06277	1.1
85.02947	9.7
85.06573	2.9
87.00859	7.4
88.98821	8.5
89.02428	7.0
96.95998	1.7
97.02934	1.3
99.00856	10.7
101.02470	2.6
111.00882	1.4
113.02420	1.6
113.06094	1.9
113.88522	1.3
115.03978	1.5
122.55462	1.2
129.01965	11.9
131.04588	1.3
131.07144	17.1
134.03737	7.2
135.04526	13.0
149.06062	6.7
159.03029	1.5
161.02391	6.0
167.03490	1.3
175.03952	6.7
177.04036	9.4
178.02663	5.4
179.03496	30.6
186.44664	1.1
191.07205	1.3
193.05083	27.9
195.05077	5.8
209.06691	30.0
233.04482	1.6
235.06194	1.2
300.12344	1.3
337.83133	1.3
353.08755	4.5
371.09720	1.9
378.79095	1.2
533.15112	100.0
550.75067	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	533.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
62.74220	0.4
63.48564	0.4
63.50388	0.4
70.61728	0.4
74.02473	0.6
78.75604	0.4
82.03175	0.5
82.16463	0.5
118.05112	0.6
121.02940	2.1
125.27352	0.6
173.90215	0.5
203.08292	0.6
249.05472	0.7
251.07094	1.1
261.35617	0.5
262.06433	3.7
263.07144	3.7
264.07904	4.5
265.08768	0.8
266.06006	0.6
266.09320	0.6
267.06677	15.2
276.07828	0.6
277.05234	0.8
277.08838	0.5
278.06100	0.9
278.09509	2.4
279.06635	18.6
279.09781	1.4
281.08218	2.1
282.05853	0.9
282.08994	23.9
294.05389	11.2
294.09021	15.9
295.06107	3.3
297.11346	7.9
306.05359	0.9
307.06171	3.0
308.07007	2.6
309.07779	13.3
310.08493	6.0
311.05704	2.3
321.07794	1.0
322.08496	14.9
323.05679	31.7
323.09225	2.9
326.04184	0.7
326.07999	19.8
337.07422	0.9
338.08017	38.6
341.10336	59.7
353.10352	100.0
371.11353	7.8
533.15753	0.7
533.23193	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	533.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.4
59.01378	2.3
65.91091	1.6
74.02475	9.2
79.06227	1.5
89.02469	2.3
96.96003	8.3
99.00871	1.7
105.22367	1.6
107.87135	1.6
118.05087	7.1
121.02929	3.1
145.03004	1.9
148.05354	3.0
176.04762	3.2
191.07164	18.1
192.04291	3.6
203.08315	9.0
206.05853	3.8
220.03751	3.6
234.05278	1.9
235.06044	2.8
238.04799	3.3
252.17119	2.0
262.06296	2.6
264.07944	3.6
265.08597	1.8
266.05838	2.6
267.06616	21.6
278.09369	3.5
279.06592	21.0
279.09583	2.3
281.08237	8.6
282.09003	34.1
285.16196	2.1
294.05359	34.2
294.08981	17.2
295.06128	2.5
297.11377	12.5
299.12799	2.0
307.06241	2.3
308.07016	2.8
309.07715	40.0
309.11099	1.7
310.08493	6.7
313.15582	2.4
322.08530	12.5
323.05722	23.9
323.09128	3.1
325.07108	8.9
326.08032	26.2
327.08826	2.4
337.07272	2.8
338.07974	76.2
340.09384	8.3
341.10358	52.0
353.10370	65.3
369.21466	2.1
371.11383	79.8
420.17374	1.7
458.19324	2.8
476.20547	2.5
533.16583	100.0
533.23010	30.3
546.47174	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	533.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16147	0.2
56.36634	0.2
81.20353	0.3
82.09854	0.3
85.02945	3.2
87.00856	1.4
93.03412	0.4
103.91479	0.2
111.00870	2.4
119.59502	0.3
127.03976	0.9
156.17331	0.3
191.02097	3.1
191.05626	100.0
219.83772	0.3
533.17511	0.5
540.75507	0.4
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
50.60408	0.9
58.39592	1.0
71.79256	1.2
72.99294	2.4
74.10255	1.3
78.97696	1.3
82.72899	1.2
85.02960	1.3
85.06631	1.5
87.00899	2.2
96.95979	1.1
100.54169	1.1
101.06074	53.5
111.00869	10.7
115.03998	15.4
129.05566	17.5
136.65701	1.3
145.05051	6.2
191.02040	10.1
191.05623	100.0
212.15001	1.2
426.92014	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	533.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33680	1.1
86.79370	1.2
96.96007	10.6
101.06067	39.0
115.04019	9.6
115.89555	1.3
129.05563	11.7
145.05061	2.3
177.40750	1.5
191.01945	2.2
191.05637	100.0
327.08661	1.5
411.65793	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	533.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	14.4
62.66960	2.4
71.01365	3.9
73.72340	2.5
74.02473	17.7
100.00390	2.8
101.02424	8.6
109.06581	8.4
111.79346	2.4
116.05051	14.0
122.09767	10.2
122.42579	3.3
134.09738	2.4
135.04523	4.8
142.06618	4.6
153.06102	2.6
159.09271	3.7
166.08699	30.6
171.04578	2.3
203.08295	59.3
210.07739	5.6
219.38901	2.3
271.06049	3.6
285.04123	4.9
299.05621	13.0
319.74963	2.5
339.13449	17.4
340.75058	2.9
533.21411	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	4.6
59.01101	1.6
59.01382	39.9
68.38245	0.8
71.01381	5.1
73.02943	0.9
78.69858	0.9
85.02940	7.8
87.00863	4.0
89.02433	1.8
95.01398	1.6
99.04503	8.4
101.02458	1.5
113.02460	7.8
125.02405	1.6
126.99090	0.8
143.03403	1.0
164.21051	0.8
165.12840	19.2
207.13919	5.1
209.11815	13.3
209.54616	1.0
225.15105	1.1
251.13022	1.7
257.04294	1.1
258.28949	0.9
263.07709	4.7
269.13928	5.5
270.96085	1.0
284.03259	8.1
285.04150	4.0
323.05725	1.0
353.10309	5.8
489.10367	6.3
501.19522	1.1
533.22485	100.0
547.82507	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	36.0
64.64881	0.9
71.01378	24.6
73.02937	16.4
83.01411	1.3
85.02929	10.3
89.02431	9.9
95.01404	2.0
95.92422	1.0
99.00882	9.9
101.02433	20.2
113.02445	14.6
113.03155	1.1
113.03540	1.3
119.03471	2.1
125.02412	5.2
131.03572	1.6
131.04604	2.0
141.45860	0.9
143.03473	2.5
159.02975	6.6
161.04550	15.5
315.18161	6.3
341.17972	1.2
447.22552	9.3
489.23474	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	533.226
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09496	0.9
59.01382	1.0
60.21061	0.9
63.55059	1.0
71.01393	1.3
73.78102	1.0
74.02472	10.3
75.45913	1.1
86.02480	1.5
96.96001	19.8
98.02466	1.8
99.00900	1.2
111.08157	13.0
118.05097	31.1
125.02428	7.1
126.01986	1.6
131.03745	1.4
132.04538	16.8
137.02487	1.7
157.07713	5.0
158.06183	8.9
158.07237	1.2
165.05496	1.3
167.03479	6.6
167.11887	1.1
168.00623	3.8
172.09836	1.5
175.08727	6.9
211.14478	1.5
212.12999	1.8
219.07814	12.7
237.16068	2.0
251.14059	2.3
256.11932	7.1
274.12900	4.3
281.15097	8.5
295.13892	1.1
299.16171	13.4
307.13074	1.7
313.14203	6.0
325.14124	5.1
391.20050	1.2
408.28094	1.1
414.20166	1.7
432.21399	1.8
458.19449	8.2
473.32690	1.3
476.20679	9.5
515.21338	2.3
533.15100	8.5
533.22614	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20449	0.6
58.02966	0.9
63.54276	0.6
74.02467	11.4
75.22551	0.6
76.28383	0.7
77.46642	0.7
86.02466	1.0
98.02483	1.4
99.00854	1.4
111.08163	11.4
118.05096	28.3
126.01956	1.1
126.41952	0.7
131.03763	4.1
131.04738	0.6
132.04544	13.2
136.11369	0.8
157.07745	6.2
158.06070	6.8
160.45135	0.8
172.09793	0.9
175.08716	5.6
188.04738	0.8
201.06752	2.5
211.14529	1.5
212.09309	1.2
212.12939	1.5
219.07787	12.3
226.68213	0.8
237.16122	3.2
251.14095	1.8
256.11954	4.0
263.14023	1.2
274.13049	3.9
281.15094	6.0
295.12903	1.0
299.16129	9.5
307.13007	1.5
313.14288	1.0
325.14151	3.0
331.15393	1.3
340.20453	1.2
352.20575	0.8
375.15741	0.9
380.79343	0.9
401.63431	0.7
432.21323	0.7
458.19400	7.7
476.20450	11.9
515.21875	1.0
530.42480	0.8
533.22595	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89125	2.1
57.03451	89.9
59.01381	97.3
59.73444	2.5
64.01617	2.2
71.01376	17.7
71.96559	3.4
73.02943	5.1
78.54113	2.9
85.02957	3.2
89.02431	21.6
96.96005	11.0
99.04510	100.0
99.82124	2.6
101.01881	3.3
101.02444	30.8
113.02462	13.5
116.87650	2.9
119.03493	3.8
125.02422	47.2
134.03740	18.3
135.04100	3.0
135.64479	2.7
143.03546	3.9
157.25409	2.7
161.02472	4.4
162.02678	3.6
175.04004	15.2
177.51749	2.8
178.02751	14.0
179.03220	6.7
193.05048	20.2
194.05362	11.9
195.05547	2.7
207.40494	2.7
389.21960	12.8
431.22937	26.0
471.25629	3.2
489.27328	3.9
533.16089	39.4
533.25623	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	19.0
60.79980	4.4
71.01392	6.3
75.00861	6.9
85.02929	6.2
87.00896	4.7
110.29447	4.4
113.02411	7.3
114.57391	4.7
116.24931	5.1
118.12605	4.8
120.12461	4.9
120.47461	4.6
156.24516	5.1
179.22185	5.0
223.69487	4.7
283.26468	94.2
533.33405	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.1
59.01383	100.0
66.58855	0.6
71.01350	0.9
79.05850	0.7
92.23090	1.4
99.04501	1.3
269.21170	0.8
275.25974	0.8
283.69489	0.9
431.26495	4.1
472.06866	1.0
473.31229	0.9
533.29486	7.3
533.35193	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	533.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	8.9
59.01383	100.0
59.15873	1.7
72.65874	1.9
99.04506	11.3
106.74782	1.8
125.02451	8.0
146.08205	3.9
154.16115	1.7
167.41730	1.9
223.74872	2.1
255.52827	1.8
261.30334	2.0
277.12384	2.6
346.62216	2.1
377.49606	2.3
463.19638	2.1
528.19049	2.3
533.34674	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	533.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56390	0.4
52.95446	0.4
57.03437	0.4
57.53212	0.4
59.01382	100.0
64.10352	0.5
69.96400	0.4
72.83765	0.4
78.65522	0.4
92.23050	0.5
103.22807	0.5
287.99313	0.6
553.73108	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98742	0.8
55.59153	0.9
66.02533	0.8
72.00908	3.5
74.02464	11.0
75.74120	0.9
81.35777	0.9
83.72228	0.9
93.03448	3.3
107.05045	1.1
109.06573	1.4
111.73272	0.9
116.04990	1.6
119.04997	5.0
121.52164	0.9
122.09749	1.2
148.07700	1.6
157.73355	1.0
158.52832	1.0
163.03990	11.9
164.07080	1.3
166.08717	1.7
180.06665	100.0
192.06650	2.2
203.08289	8.1
218.92461	0.9
224.09381	1.2
254.44051	0.9
285.16144	1.1
315.80801	0.9
413.03232	1.1
476.76059	1.0
534.22491	76.5
559.68042	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.329
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	9.3
68.63747	3.3
69.58924	3.4
110.02080	3.9
111.86429	3.9
114.71719	4.3
119.96449	4.4
120.58758	4.3
131.12189	4.1
141.44550	4.3
142.28738	5.0
159.76892	4.3
173.83960	4.0
190.90944	3.8
250.50288	3.9
253.09319	5.9
255.23325	100.0
458.66177	4.9
491.32202	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	534.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
70.44586	1.0
72.85943	1.0
82.34639	0.8
89.75288	1.0
139.60858	0.9
197.11705	1.0
299.00534	0.9
352.19073	1.0
398.12552	1.0
424.14038	1.2
471.34824	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	535.148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.1
57.46441	0.4
59.01373	2.3
61.66154	0.5
70.10439	0.5
88.11211	0.5
90.22768	0.5
96.96017	4.0
98.23773	0.6
98.95586	5.2
99.04492	3.8
99.92567	7.2
100.90440	0.7
100.93357	2.4
101.02467	0.7
110.54841	0.5
112.25918	0.6
114.94920	2.4
115.92088	5.5
116.92850	100.0
119.05003	7.1
125.02403	0.9
155.53941	0.6
158.93935	2.3
161.04568	1.2
163.04013	5.7
182.97511	1.1
183.13910	1.1
183.94620	0.7
222.93382	0.6
226.96545	5.6
229.18094	2.7
243.96870	0.6
293.14117	0.7
338.86252	0.6
373.09708	4.9
391.23544	4.3
499.12717	0.9
535.14990	40.8
535.22009	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	535.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06693	0.9
55.82960	1.0
57.03450	32.6
59.01384	28.2
59.23205	0.9
61.98827	2.5
67.22962	1.0
71.01367	2.3
73.02935	4.9
79.11626	1.0
85.02959	2.0
87.00845	1.1
93.94647	0.9
96.96003	13.0
98.51823	1.3
98.95581	8.8
98.96350	1.1
99.04507	35.3
99.92582	7.9
100.93349	6.6
101.02437	10.1
106.29720	1.1
113.02462	1.4
114.94922	2.0
115.92075	5.4
116.92852	100.0
125.02433	26.9
133.67444	0.9
143.03421	1.8
143.10788	32.4
157.12343	2.7
159.05708	1.1
162.26054	1.0
165.12779	1.6
167.66286	1.1
174.13029	1.1
182.97568	4.8
183.13924	11.5
226.96513	7.7
227.12949	4.1
229.18044	6.8
239.93430	1.1
248.38884	1.1
373.09625	1.3
386.54700	1.2
389.18073	8.4
391.23410	9.7
455.13937	1.1
475.04745	1.3
475.25500	2.2
535.14990	50.5
535.27716	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	535.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74992	2.8
58.03773	3.0
59.01384	3.8
71.01374	4.3
71.37183	2.6
72.52303	3.2
81.03497	3.1
89.67218	3.0
96.13602	3.7
96.96001	6.7
113.02458	4.0
123.04488	4.6
125.02412	5.0
137.02422	7.5
154.02684	4.5
155.03462	8.2
167.03476	31.4
179.03465	4.7
188.28125	3.7
193.05005	4.4
197.04539	4.2
209.04564	78.0
221.04491	13.7
223.01491	3.5
235.06102	3.9
239.05611	43.6
251.05627	83.8
253.07036	4.8
263.05548	4.1
265.07178	5.0
269.06683	11.9
277.07227	13.8
281.06680	65.4
295.08228	53.3
307.08270	13.7
311.07782	17.9
313.09262	5.5
325.09311	52.0
337.09302	3.5
355.10315	18.4
394.68896	3.9
397.11209	5.7
415.12482	48.0
491.14081	18.2
517.15857	5.1
519.51025	4.1
535.16547	100.0
535.23456	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	535.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07334	1.0
57.03450	52.6
59.01380	17.5
73.02925	11.5
76.47563	1.3
97.02939	1.4
99.03895	2.4
99.04512	53.6
101.02451	15.2
116.92838	1.5
118.10955	1.2
123.04517	1.2
124.96867	1.2
125.02441	45.5
143.03499	1.9
143.10768	100.0
157.12306	11.2
178.16324	1.2
185.11877	1.8
269.16583	1.3
491.21329	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	535.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60804	3.0
57.03452	99.2
57.03720	6.7
59.01381	100.0
59.01651	6.2
60.58451	3.0
60.63246	3.1
62.12879	3.4
71.01376	8.7
81.03467	3.7
87.27843	4.1
99.04508	89.7
101.02444	23.9
113.02450	7.0
113.08417	4.1
117.76470	3.8
119.03545	4.0
125.02415	35.7
125.34054	3.6
152.01135	6.0
160.68327	5.0
161.04590	4.4
167.03488	22.9
175.03960	5.1
179.46457	3.4
205.05089	7.2
225.20767	4.2
236.24530	3.8
344.79095	3.9
367.10333	8.3
391.16083	41.7
433.17117	6.7
491.11115	5.1
535.13269	3.6
535.20642	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	535.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88226	0.9
53.35189	0.8
57.03452	56.2
59.01387	16.3
61.98829	4.1
66.26759	0.9
67.17998	0.9
68.99482	1.2
68.99818	19.6
71.01393	2.0
73.02932	2.1
92.22458	0.9
99.00876	100.0
99.04518	45.6
99.05158	1.9
101.02436	15.4
113.02425	1.9
125.02441	25.0
128.07214	0.9
143.03494	3.8
248.62918	1.0
261.43994	1.2
277.24066	1.1
291.18085	4.1
333.06683	1.0
333.19437	1.5
359.17447	1.1
373.18787	1.2
391.19788	35.8
433.20953	17.8
435.22485	1.6
473.23749	2.2
535.24164	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	535.24
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07356	2.0
57.03452	100.0
59.01379	73.6
65.26632	1.9
69.48408	2.7
76.74550	2.5
99.04509	96.7
101.02444	20.5
124.91695	2.2
125.02431	37.6
144.66940	2.4
491.24792	4.1
511.34213	2.6
512.30865	2.5
535.31622	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	535.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40515	0.7
52.27478	0.7
53.52037	0.8
57.03454	50.8
59.01385	100.0
59.17897	0.7
66.01260	0.8
66.89776	0.8
71.01388	1.4
71.86684	0.8
76.00587	0.9
85.02977	1.1
89.07528	1.0
92.23102	1.2
99.04517	52.9
101.02442	10.9
113.02402	1.6
125.02445	19.2
143.03510	1.3
347.20749	1.2
391.27307	1.4
433.28043	3.5
491.25192	1.4
535.31763	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	535.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	13.7
57.71718	0.8
59.01379	24.4
61.98819	7.2
66.41893	0.9
71.01368	4.8
73.02942	4.3
76.27258	1.0
77.45090	0.9
83.04976	1.1
89.02441	1.2
99.00867	5.8
99.04496	17.9
101.02406	5.0
105.59096	1.1
111.08112	1.4
113.02455	1.7
125.02459	9.7
148.05298	100.0
149.06079	1.9
151.87061	1.3
152.47629	1.0
163.07643	60.8
165.12799	11.1
183.13896	38.2
184.64247	1.2
205.08344	1.2
207.13885	1.8
219.21613	1.1
221.15569	1.2
227.12856	4.4
233.11826	2.4
251.12872	4.2
265.14362	4.4
293.13925	10.1
350.78268	1.3
371.17050	5.3
391.19534	1.6
433.22336	1.4
475.32986	1.7
535.25482	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	535.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17883	0.7
57.03437	1.3
59.01382	20.5
60.95203	0.7
70.73537	0.7
71.01383	9.3
73.02957	1.3
83.01382	0.8
85.02944	5.0
85.38393	0.8
87.00869	4.7
89.02422	1.0
96.95968	0.8
99.04504	3.1
99.14544	0.8
101.02448	7.7
101.70902	0.8
112.21723	0.8
113.02434	3.9
124.01576	1.3
125.02432	1.3
135.17737	0.7
140.31940	0.8
216.53006	0.7
269.21194	5.0
287.22299	57.8
299.22299	0.9
316.04852	1.0
339.36551	1.1
431.26480	14.4
449.27600	50.8
452.93234	1.1
462.08044	0.9
491.28696	100.0
535.20032	1.8
535.31641	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	535.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66262	0.7
59.01387	20.7
60.41709	0.8
67.50340	0.8
71.01382	9.6
73.02937	3.9
78.42281	0.9
83.01407	1.4
85.02962	3.7
87.00867	1.8
89.02425	1.1
90.74350	0.8
97.02911	1.2
101.02419	8.1
113.02467	1.6
119.14385	0.8
124.39856	0.9
125.02397	3.4
127.73765	0.8
148.02141	0.9
188.52628	0.9
269.21213	1.5
281.62585	1.0
287.22339	41.4
301.23904	1.1
329.23389	1.9
431.26596	18.6
449.27652	60.1
491.28647	100.0
535.31952	5.0
537.84241	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36288	1.2
59.01380	85.3
71.01376	46.6
73.02950	1.2
83.01458	1.3
83.53376	1.2
85.02948	10.5
87.00892	1.7
89.02434	59.0
95.01391	2.4
99.00861	1.5
100.22115	1.4
101.02428	30.3
113.02429	24.3
119.03481	19.9
125.02442	3.0
129.01962	2.3
142.45413	1.2
143.03519	2.2
149.04564	2.1
161.04565	3.1
179.05678	9.9
195.51294	1.3
197.11911	1.5
244.86557	1.3
259.06104	6.1
267.11292	2.4
287.05600	3.0
357.10223	1.9
464.64932	1.3
475.21506	9.4
493.23099	6.9
535.20972	4.6
535.27753	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	535.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20127	0.9
57.03452	21.4
59.01382	100.0
99.00906	1.0
99.04510	26.0
101.02439	4.4
105.34065	0.9
125.02435	10.3
128.39322	0.9
210.23984	1.1
215.48216	1.0
244.71092	1.2
409.85620	1.1
494.00195	1.2
535.33087	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	535.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	45.2
59.01387	55.6
71.01379	10.6
71.29924	5.8
91.09680	6.0
99.04516	45.5
101.02423	9.5
106.25448	6.0
113.02430	11.0
116.92868	9.4
125.02433	35.8
143.10776	62.1
229.18108	8.9
396.24130	5.8
406.32968	7.0
420.77933	5.7
456.55017	6.0
474.58926	7.1
475.25461	10.5
535.29553	9.1
535.36639	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	535.401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04842	1.2
53.31432	1.1
59.01381	100.0
69.73571	1.1
70.13412	1.2
73.02935	1.3
75.73911	1.3
85.77010	1.2
87.81973	1.5
126.67776	1.2
268.79166	1.4
339.70862	1.4
475.37964	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	535.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.7
57.49457	0.6
59.01381	100.0
60.34719	0.6
73.02945	4.3
98.93606	0.6
117.11734	0.8
200.95657	0.8
215.21545	0.8
274.77249	0.7
327.40588	0.7
475.37939	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	535.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.86775	1.1
61.98824	1.6
72.18295	1.6
78.95930	1.9
81.94746	1.4
82.18947	1.3
102.72755	1.3
119.88481	1.4
132.53900	1.6
193.05901	1.5
240.90463	1.8
288.56964	1.6
459.52731	1.6
475.37955	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	536.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69976	0.5
50.95416	0.6
54.54177	0.5
57.00454	0.6
57.03446	0.7
59.01384	36.0
59.86501	0.6
61.98834	100.0
67.09183	0.6
71.01383	3.1
73.02933	1.4
89.02467	0.7
99.04549	1.2
101.02440	3.6
108.70355	0.6
113.02445	1.5
123.08092	0.9
144.93549	0.7
146.50162	0.7
161.04538	1.0
163.11342	1.5
180.06673	1.2
189.12901	7.0
207.13916	5.2
225.15019	0.8
387.20502	2.8
429.21298	25.6
536.19128	0.8
550.83215	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54097	1.4
59.01381	48.3
61.35191	1.3
61.98831	100.0
61.99151	3.8
65.21429	1.6
69.38164	1.3
71.01371	2.9
74.02466	8.0
89.02438	2.2
89.11879	1.6
90.57748	1.6
92.23151	1.7
101.02425	3.4
109.06558	3.4
112.69236	1.5
113.76160	1.4
119.05004	2.4
123.08146	1.9
132.04562	13.5
134.09731	2.6
144.04556	2.0
152.07086	2.4
157.07661	3.6
158.06111	2.2
163.04013	11.1
180.06670	81.6
189.12914	2.9
207.13942	7.3
219.07738	10.9
296.71506	1.7
387.19904	1.7
429.21313	35.5
448.29013	1.7
490.65381	1.9
498.09158	1.9
518.19531	6.3
533.93732	1.7
536.20404	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	536.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.9
59.55169	0.7
60.17810	0.8
67.44769	0.7
74.02460	7.0
86.02474	4.0
90.94460	0.8
93.03419	1.3
109.06585	4.5
119.04985	4.5
122.09720	1.3
131.03712	4.4
132.04533	14.4
134.09749	1.0
135.04501	1.0
136.07698	1.3
144.04591	1.1
151.00336	1.2
152.07167	4.3
157.07677	10.0
157.62878	0.8
158.06097	3.1
163.04007	4.9
166.08742	4.1
175.08751	4.9
177.03226	0.8
178.08720	1.0
180.06660	72.8
201.06740	3.4
210.07709	1.4
219.07761	14.7
228.13860	1.0
272.12955	1.0
283.09784	0.8
316.11835	3.0
342.49323	0.8
355.12811	1.3
518.20001	1.4
536.20447	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
74.02471	32.5
89.00092	1.2
106.04223	1.2
111.08167	2.6
116.05028	1.8
119.05049	1.8
163.04027	5.3
167.11894	6.2
172.09789	6.1
180.06670	45.7
194.08183	2.8
203.08244	8.0
225.12495	7.7
269.11417	1.8
287.17596	12.9
308.54279	1.3
324.63007	1.7
331.16525	5.4
339.31613	1.5
536.24091	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10003	0.5
53.61092	0.5
59.01381	4.6
61.98824	2.5
70.43867	0.5
74.02467	33.1
92.49299	0.6
93.03461	1.0
100.00491	0.8
111.08147	5.1
113.03543	1.3
116.05045	10.6
119.02569	0.6
119.04990	0.6
132.04573	0.8
142.06638	1.5
159.09299	1.5
163.04001	2.8
167.11902	5.2
168.10202	2.3
172.09830	7.8
180.06656	20.4
181.13487	1.4
194.08226	3.1
203.08282	30.1
212.09303	0.8
225.12453	8.0
237.12447	1.0
256.13269	0.9
269.11386	3.4
287.17746	6.8
301.14166	1.0
310.19278	10.7
331.16629	4.3
332.19553	1.2
354.18417	0.9
407.18387	2.6
448.70358	0.8
476.33075	0.7
492.28830	1.5
536.24121	100.0
549.86823	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59198	0.9
57.39054	1.0
59.01379	2.9
59.63233	1.0
61.98824	5.0
66.83891	1.3
71.33673	1.2
74.02459	1.4
78.44320	1.1
92.05042	1.5
111.08130	2.2
118.06622	11.4
131.03767	10.6
132.04518	17.6
144.04504	1.9
147.04512	2.1
153.10356	1.9
157.07706	24.7
158.06114	13.8
164.07196	13.2
175.08737	11.9
201.06636	1.9
213.04651	1.4
219.07693	9.9
222.39919	1.3
257.16425	2.1
271.17960	1.2
283.18259	2.8
327.17310	1.9
353.58444	1.3
391.61685	1.3
398.22885	1.2
400.86017	1.2
534.38257	1.4
536.24078	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11894	0.4
60.14151	0.4
61.98831	100.0
93.01841	0.4
94.03092	0.5
112.52597	0.6
115.66688	0.6
124.85904	0.6
129.52632	0.5
189.28101	0.5
473.36401	6.7
502.15768	0.5
530.96820	0.6
536.35925	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	537.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96779	0.4
60.42019	0.4
71.01402	0.4
75.44692	0.4
76.05795	0.5
93.03447	5.3
108.02172	14.4
109.02946	9.1
137.02443	26.0
152.01147	100.0
153.01913	3.1
161.16408	0.6
163.04012	2.8
172.96896	0.5
179.03481	1.0
200.57315	0.5
213.17114	0.5
232.16426	0.5
241.07211	2.6
285.06116	0.9
341.05460	0.6
399.09329	12.1
417.10434	12.3
537.12537	84.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.5
59.01377	10.9
71.01385	2.4
71.60052	1.6
74.02472	1.7
74.29337	1.4
82.45541	1.3
86.02452	1.3
93.03455	27.8
99.04516	2.6
108.02173	13.4
109.02937	8.5
113.02450	2.7
131.02052	1.8
132.04538	2.4
137.02441	100.0
152.01154	92.8
153.01906	2.4
157.07640	1.7
163.04042	3.0
176.07132	1.3
176.69237	1.6
180.06639	17.9
181.07019	8.4
207.22676	1.3
219.07762	6.3
220.08047	2.9
222.65108	1.5
399.09402	41.5
417.10123	1.8
493.26791	3.3
537.12512	90.2
537.20782	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	537.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04629	1.9
54.63887	2.1
56.78931	2.2
59.01379	49.1
61.61919	2.7
63.24011	2.4
71.01373	22.4
85.02943	3.8
89.02437	29.6
101.02435	15.3
106.17002	2.6
106.79512	2.4
109.02923	4.6
113.02418	11.2
116.84063	2.5
119.03529	3.4
136.01668	3.9
151.03983	23.6
175.07547	2.7
176.04820	4.2
179.05624	4.9
189.05769	2.7
190.06430	4.2
191.07130	5.7
202.06351	4.5
279.06696	13.0
282.08914	9.4
291.06650	3.0
293.08374	3.2
294.08936	5.0
297.11270	17.5
309.07703	3.6
309.11176	3.9
312.10019	18.1
323.09225	4.8
324.10114	18.6
327.12360	55.4
339.12433	53.2
345.13257	3.4
357.13419	14.5
375.14474	30.3
447.13947	3.1
504.56522	2.7
519.18652	4.2
537.20056	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91530	2.6
57.61123	3.3
59.01383	52.5
71.01379	21.9
73.02956	3.0
85.02922	7.5
87.00890	3.2
89.02439	30.2
89.28592	3.1
92.22804	11.3
101.02424	24.8
109.02959	7.6
113.02419	14.2
119.03463	5.4
136.01707	11.5
151.04008	27.0
190.06352	5.9
191.07181	6.7
202.06375	6.4
239.40044	3.3
279.06580	4.6
282.09052	5.9
294.08978	17.0
297.11337	19.3
309.07852	3.9
309.11316	6.9
312.10016	31.4
323.09665	3.9
324.10107	7.0
327.12415	94.8
339.12354	56.7
357.13403	27.1
375.14554	37.0
447.14166	3.6
537.20282	100.0
538.78131	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	537.199
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50354	0.6
57.69782	0.6
58.56853	0.4
59.01385	1.3
60.22328	0.5
63.27492	0.6
65.96193	0.6
71.01378	0.7
72.31541	0.6
78.43945	0.5
79.26471	0.6
101.02399	0.8
109.02940	1.2
113.02444	0.8
116.42966	0.7
120.46915	0.6
124.01621	0.7
125.06057	1.3
133.92505	0.6
136.01640	3.1
151.04004	18.6
169.04994	1.0
176.04834	1.5
189.05574	0.7
190.06407	4.3
191.07146	5.3
204.72858	0.7
230.82097	0.6
249.06044	0.9
249.34052	0.6
267.06589	7.0
279.06628	3.7
282.05872	1.3
282.08987	38.8
294.08936	5.1
297.11325	100.0
300.09753	0.7
305.91299	0.7
309.11411	0.8
312.10071	11.4
315.12576	1.1
327.12384	35.0
345.13431	22.4
357.13654	5.7
375.14514	71.6
418.47592	0.8
425.66095	0.7
537.22089	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	537.199
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50354	0.6
57.69782	0.6
58.56853	0.4
59.01385	1.3
60.22328	0.5
63.27492	0.6
65.96193	0.6
71.01378	0.7
72.31541	0.6
78.43945	0.5
79.26471	0.6
101.02399	0.8
109.02940	1.2
113.02444	0.8
116.42966	0.7
120.46915	0.6
124.01621	0.7
125.06057	1.3
133.92505	0.6
136.01640	3.1
151.04004	18.6
169.04994	1.0
176.04834	1.5
189.05574	0.7
190.06407	4.3
191.07146	5.3
204.72858	0.7
230.82097	0.6
249.06044	0.9
249.34052	0.6
267.06589	7.0
279.06628	3.7
282.05872	1.3
282.08987	38.8
294.08936	5.1
297.11325	100.0
300.09753	0.7
305.91299	0.7
309.11411	0.8
312.10071	11.4
315.12576	1.1
327.12384	35.0
345.13431	22.4
357.13654	5.7
375.14514	71.6
418.47592	0.8
425.66095	0.7
537.22089	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	537.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36774	1.6
55.01879	2.4
58.98685	1.5
59.01383	21.4
71.01369	22.7
73.02974	2.7
73.19264	1.6
85.02946	4.8
86.21704	2.0
89.02428	18.7
95.01391	2.2
96.95974	4.2
99.00863	2.9
101.02435	12.4
108.02167	3.0
109.02937	2.0
113.02442	12.9
113.03603	2.1
116.94882	2.0
119.03506	8.1
119.76811	2.1
122.03751	2.7
127.05174	2.5
130.08740	4.4
134.03767	19.4
136.04028	3.1
137.02454	3.8
147.02986	4.0
149.02405	14.6
149.06068	10.0
150.03220	47.0
152.01149	20.1
153.01540	4.3
160.21066	2.2
164.04778	12.8
165.05562	100.0
178.02644	16.4
179.05661	5.6
179.07115	3.9
180.04329	8.4
193.05054	42.3
195.06656	21.5
245.22380	2.2
254.15222	3.3
273.08813	3.2
312.10034	20.9
327.12427	42.7
363.74207	1.9
389.12442	8.4
404.18179	3.8
476.71207	2.1
489.17850	9.1
493.22974	2.9
519.20953	3.8
537.14661	20.3
537.21484	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	537.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23641	1.5
54.03995	1.2
54.11274	1.4
57.03452	100.0
59.01381	96.7
59.01621	1.6
59.01683	2.6
67.33209	1.5
71.01375	4.1
75.00873	1.4
85.53633	1.4
89.02424	2.0
96.38898	1.6
98.16777	1.7
99.04513	95.9
101.02451	23.3
125.02441	43.0
143.03516	3.5
307.17606	2.1
349.18488	12.4
382.30322	1.7
391.19757	10.6
393.21606	2.4
493.22830	17.5
537.22412	4.1
537.33032	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	537.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	93.9
59.01383	100.0
65.30137	1.4
66.89741	1.7
67.62072	1.6
71.01389	1.9
89.02425	2.7
92.22614	1.9
99.04515	98.9
101.02425	25.2
106.30795	1.8
125.02438	52.7
126.78731	1.5
127.72853	1.9
128.82698	1.6
134.68945	1.7
143.03517	8.1
148.16893	1.7
158.99219	2.0
187.32642	1.8
273.09113	1.7
320.15726	1.9
349.18741	15.0
391.19745	11.9
393.17627	3.3
416.08749	2.2
493.23117	25.0
537.21924	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	537.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85337	1.3
57.03451	98.4
59.01385	88.3
59.01687	2.5
66.09924	1.3
71.01394	1.9
88.98797	14.4
92.23203	2.9
92.99705	1.5
99.04517	100.0
101.01889	2.2
101.02440	18.3
125.02434	40.8
143.03523	3.6
144.56529	1.6
183.97322	1.7
334.52444	1.7
349.18683	6.3
391.19647	11.1
393.21225	3.4
493.23129	16.8
537.22449	2.3
548.92877	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	537.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	2.3
55.82137	2.4
57.03453	99.4
58.87403	3.0
59.01102	4.6
59.01385	89.9
71.01378	6.5
73.50489	2.8
85.02908	3.9
89.02439	3.5
89.88965	2.7
99.04515	67.7
101.02426	25.0
113.02429	5.9
117.75503	2.6
118.21908	2.6
125.02447	26.0
137.02429	11.7
143.03531	2.8
143.08551	2.6
161.04501	5.1
181.81216	3.1
249.13455	15.2
262.05313	2.7
265.39999	2.8
291.14478	4.1
393.17661	56.4
435.18857	11.2
478.23508	3.5
537.21918	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96057	1.4
56.42331	1.5
58.77939	1.7
64.79758	1.6
78.95890	8.7
83.01361	3.3
85.48158	1.8
108.55031	1.6
118.04167	1.6
125.09690	4.4
152.99580	31.5
163.11310	2.1
165.12813	7.2
167.10736	2.2
171.00655	2.3
181.12344	2.7
209.11888	17.3
214.15115	1.7
220.24228	1.8
238.25565	1.8
247.20592	7.5
273.18396	2.3
291.19647	24.5
374.23199	2.1
537.24719	100.0
537.33038	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	537.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11797	13.1
88.22502	16.7
90.50079	17.2
103.25491	15.3
105.40905	17.2
109.40327	16.3
121.12018	13.9
208.46793	17.2
211.19810	16.4
256.18448	16.7
312.36237	16.9
342.61157	17.4
406.64865	17.2
537.32086	100.0
537.40686	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	537.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23291	0.7
69.75470	0.7
71.89012	0.8
75.38017	0.7
78.17964	0.7
79.41935	0.8
88.72865	0.7
102.19736	1.0
148.51451	0.8
149.41461	0.9
165.12822	8.0
183.13902	100.0
209.11845	1.8
227.12868	3.7
235.20647	5.0
253.21750	16.8
294.33047	0.9
301.13089	1.6
301.16577	49.0
537.38019	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	538.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46951	0.7
59.01392	5.9
74.21990	0.6
76.72322	0.7
89.94405	0.9
99.03024	0.7
101.02429	0.6
105.99651	0.7
128.10828	1.8
130.08728	93.3
169.82635	0.7
172.09793	100.0
179.38039	0.7
216.08746	4.7
216.12393	5.3
228.36357	0.7
235.11940	1.0
277.12781	0.7
356.96295	0.8
538.21503	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2204
Annotation	Lys-Met-Met-Met
Peak:m/z	Relative Intensity
54.00377	0.5
56.96618	0.5
64.26366	0.6
72.00903	0.7
74.02473	12.8
78.95927	0.7
80.42216	0.6
86.02486	1.5
92.05048	1.2
92.60547	0.6
93.03430	1.0
111.08144	6.0
116.05041	0.8
119.05020	3.8
125.03530	1.1
131.03754	3.8
132.04549	12.9
136.92131	0.7
144.04515	1.0
157.07718	6.6
158.06128	6.4
160.49997	0.7
162.05620	3.5
163.03998	4.7
168.10289	3.1
172.09790	1.4
175.08749	3.4
179.58978	0.7
180.06667	44.9
183.05658	0.8
184.04121	0.9
193.13573	0.8
212.09328	7.6
219.07713	7.8
255.13574	1.2
258.62964	0.8
273.15976	0.7
274.14487	1.3
287.17737	0.9
299.17444	1.1
333.09500	0.8
336.14459	2.5
341.28122	0.8
343.16711	2.9
361.17761	3.3
374.14120	0.7
511.04684	0.7
520.21228	1.2
538.21985	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2204
Annotation	Lys-Met-Met-Met
Peak:m/z	Relative Intensity
54.65965	1.0
55.51337	0.9
61.98844	1.5
63.41177	1.1
72.14397	1.2
72.40759	1.2
74.02464	12.8
78.95893	2.9
92.22553	1.9
93.03474	1.5
107.52573	1.6
111.08137	11.0
119.05008	2.9
131.03764	1.4
132.04539	12.2
144.04530	2.9
146.34038	1.4
157.07735	2.8
158.06067	6.6
162.05595	2.1
163.04018	5.4
168.10252	5.3
175.08641	2.1
180.06682	50.2
212.09213	7.6
219.07761	7.3
237.12477	1.8
255.13448	1.4
274.14636	4.6
287.17889	1.5
336.14349	2.2
367.12662	1.5
520.21271	2.9
538.22015	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81534	65.6
66.65922	66.5
79.60452	66.4
87.56720	68.6
88.61821	100.0
126.26788	78.9
164.17810	84.6
165.84642	80.5
171.13536	85.9
205.33385	80.6
313.45792	73.1
397.09314	85.1
445.76389	84.6
446.68542	81.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43852	61.5
55.74899	62.2
66.92632	66.8
79.72050	72.5
90.19332	81.5
92.23179	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92006	2.2
58.24180	2.0
59.01379	30.1
59.69412	2.2
71.01369	28.0
73.02956	19.5
77.59272	2.5
81.57070	2.6
83.01390	2.4
84.44028	2.3
85.02973	3.3
87.00870	4.0
88.30275	2.3
89.02437	46.9
97.02939	10.2
101.02419	36.2
113.02448	18.4
119.03503	19.3
143.03465	3.9
156.32707	2.5
161.04564	34.1
170.31850	2.5
179.05579	20.7
197.05565	19.0
215.05165	5.5
218.26642	2.7
221.06657	35.8
257.06345	10.2
284.93088	2.7
288.29391	2.8
306.54950	2.9
307.86984	2.9
322.22159	2.7
341.10901	12.0
383.11691	17.3
503.16302	35.8
539.13843	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17097	0.5
64.79795	0.5
70.47106	0.6
79.79000	0.6
93.03458	4.9
96.96019	3.3
106.38805	0.8
109.96323	0.6
111.04486	3.5
134.03745	0.9
135.04524	55.8
137.02422	6.3
139.00345	2.8
155.03477	1.3
159.09331	0.6
160.19321	0.6
161.02426	18.6
165.05524	1.4
173.04486	2.8
179.03503	100.0
218.29362	0.6
315.98828	0.7
332.08942	1.5
335.07773	29.7
347.11328	3.5
377.12808	4.4
383.09946	2.8
539.14130	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	539.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01248	1.2
57.03436	2.4
59.01376	7.5
71.01376	6.3
73.02933	2.5
74.45337	1.6
83.10197	1.6
85.02949	2.1
99.04510	5.8
101.02428	5.8
108.02158	2.0
109.02927	1.8
111.08131	5.3
113.02453	6.5
114.16196	1.4
116.35625	1.4
117.96391	1.4
122.03733	32.9
123.04512	67.5
150.91339	1.4
161.04561	2.1
165.05539	1.6
165.12834	32.6
183.13907	34.4
190.81088	1.4
191.10648	2.5
209.11800	5.0
221.15579	1.5
224.20723	1.5
227.12865	2.8
233.11734	1.9
251.12752	2.4
265.14392	2.1
273.04941	1.4
296.84027	1.3
373.27887	1.5
495.22360	14.3
539.21429	100.0
539.29614	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	539.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52313	0.4
53.65851	0.4
54.18835	0.4
56.41101	0.4
57.03434	2.6
59.01379	5.9
60.66190	0.5
61.98819	0.8
67.50280	0.5
81.03456	0.8
83.01335	1.0
92.22567	0.9
99.04498	3.2
101.02437	0.7
103.00367	0.7
123.04520	13.8
125.02430	12.4
145.78810	0.7
147.10764	0.5
152.99593	0.8
167.03490	100.0
183.13838	2.7
293.13873	1.0
317.18271	0.6
317.21301	11.8
371.16928	3.6
415.79376	0.7
457.08838	0.6
539.21167	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	539.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61504	0.7
57.03452	1.2
57.49105	1.1
59.01109	1.1
59.01383	23.0
68.59013	0.9
71.01376	16.7
72.79980	0.9
73.02932	6.6
78.22635	0.9
83.01357	7.3
85.02945	12.5
89.02409	3.7
90.81297	1.0
99.00882	2.3
101.02435	23.7
113.02444	9.3
113.36578	1.0
133.02933	8.2
134.03795	1.4
149.02437	13.3
149.06076	1.9
150.03221	35.7
164.04742	9.8
165.04340	1.5
165.05562	43.0
166.06314	1.5
179.03415	1.9
180.04297	2.3
181.08725	10.9
193.05067	1.3
195.06627	10.6
212.33136	1.2
266.00336	1.2
314.11639	13.9
315.12497	2.2
329.14011	29.4
343.13794	5.4
491.19293	79.8
539.21442	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.263
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29492	1.3
78.95891	2.9
83.05010	1.7
90.27646	1.3
94.67264	1.5
113.09750	2.1
127.11307	1.5
131.20421	1.5
152.99626	18.8
167.03508	7.2
169.12334	2.0
171.00543	1.5
171.10281	15.9
185.11754	2.2
197.11877	6.8
199.13351	2.1
211.13411	16.1
243.70616	2.0
293.21191	15.3
311.22379	18.9
317.21252	1.9
539.26385	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	539.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91577	0.7
51.44888	0.5
55.01877	1.0
57.03461	4.1
59.01380	33.0
64.81473	0.7
65.33303	0.7
66.75172	0.6
71.01376	30.2
73.02938	11.0
75.00880	1.1
83.01402	6.0
85.02945	15.4
87.00888	1.8
89.02447	9.0
92.17677	0.7
95.01398	1.9
99.00838	5.5
99.04546	1.5
101.02444	29.1
101.03085	1.2
109.06589	3.2
111.00903	5.0
113.02443	15.0
119.03533	1.6
125.02476	1.7
127.07645	8.9
127.10352	0.7
133.19699	0.9
159.03001	1.6
160.01787	0.9
161.04608	3.7
171.06677	4.4
175.04018	1.2
193.04897	1.1
216.41513	0.8
229.18124	3.2
326.48767	0.9
327.73651	0.8
333.12292	1.3
377.25583	3.8
391.23410	13.5
479.26157	1.2
479.32678	1.8
539.31091	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	539.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72285	0.7
53.67115	0.7
54.74170	0.8
58.47294	0.9
63.45178	0.9
65.04500	0.8
65.49078	0.8
80.12306	0.9
85.78902	0.9
86.94191	0.9
120.77742	0.9
121.07977	0.9
137.42433	0.9
177.24217	1.0
221.37413	0.9
265.19183	1.0
311.86450	1.1
359.29391	1.3
371.29730	4.6
379.56793	1.1
415.32349	1.1
423.86807	1.0
465.32318	24.0
477.32291	6.0
479.33783	100.0
503.33780	10.6
521.34888	50.9
521.42816	1.7
539.36029	96.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35735	0.5
74.95822	0.5
83.65858	0.6
85.12800	0.7
92.20152	0.7
96.59234	0.6
98.80843	0.6
111.08141	0.9
115.19917	0.7
148.25388	0.6
165.12880	6.9
183.13898	97.9
209.11760	3.4
227.12901	1.4
255.23306	100.0
283.15424	1.2
298.04346	0.7
301.16583	2.4
484.61102	0.7
539.39557	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	540.366
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.9
64.44859	0.7
64.47429	0.6
70.63913	0.6
73.56082	0.6
86.34606	0.7
92.23131	0.7
97.06572	2.7
111.08160	10.4
123.08153	0.8
125.09716	47.6
125.10638	1.6
139.11296	22.9
152.10794	1.1
164.09131	0.7
172.09839	8.3
180.13847	0.8
183.10255	15.6
186.11349	26.6
200.12929	19.0
201.11365	3.0
278.21387	1.2
281.65863	0.8
292.23019	1.4
322.20151	3.3
327.88116	0.8
336.21921	3.5
339.22943	20.6
353.24500	25.7
367.25955	5.3
408.60818	0.7
507.49597	0.9
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	541.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98574	0.7
57.03447	1.6
58.02975	1.0
59.01381	32.9
66.29580	0.7
70.02975	2.1
71.01374	1.6
74.02464	8.7
78.37798	0.9
98.02440	1.2
99.00816	0.9
101.02425	3.9
103.05535	0.8
113.02497	1.0
116.03532	4.2
116.05041	1.5
119.05009	1.0
144.91577	0.9
147.03320	1.9
147.04514	83.6
165.05557	100.0
190.81766	0.9
203.08252	16.4
207.04655	2.1
207.06636	63.6
235.11891	1.9
245.09337	26.8
299.61279	1.0
392.29861	0.9
397.17038	3.6
418.44052	0.9
541.21484	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	541.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58683	2.9
56.28228	3.4
56.81851	2.7
57.03453	88.7
59.01383	100.0
67.43353	3.1
71.01381	27.8
73.02940	59.1
83.01400	5.6
84.56593	3.9
85.02917	3.9
87.66131	3.8
89.02441	6.4
93.03437	24.7
94.95441	3.3
97.02937	5.7
99.04510	62.2
101.02434	91.3
113.02437	23.9
119.03539	4.3
123.04430	3.8
125.02431	54.0
131.03481	4.3
137.02437	81.1
143.03470	17.0
147.04515	20.4
149.04575	5.4
149.06071	4.6
161.04555	45.9
165.05574	33.9
203.05659	20.9
203.08321	4.5
207.06593	8.0
221.06630	17.8
245.09340	7.4
261.22604	4.0
263.07565	6.2
305.08923	5.0
365.10928	16.9
403.16144	19.8
497.16782	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	541.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88245	1.4
59.01374	2.4
61.25865	1.9
95.97894	1.7
96.20089	1.7
104.17524	1.7
120.22423	1.8
126.08360	1.6
129.23451	1.7
147.74545	1.8
261.59955	1.8
332.23999	1.9
496.02591	2.4
523.26709	2.2
541.33179	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22918	1.1
59.01383	100.0
61.98830	6.2
65.20702	1.1
93.45393	1.2
108.23994	1.1
108.41888	1.2
125.09723	4.3
154.77425	1.2
156.76559	1.2
187.09756	1.6
226.92406	1.2
235.32491	1.4
277.21680	6.3
297.24274	2.2
369.14224	1.2
434.54214	1.4
541.36835	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	542.215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96027	0.6
59.01364	0.9
72.37239	0.8
75.07403	0.8
86.11503	0.8
88.98788	1.1
97.49257	0.9
104.67864	0.8
114.51229	0.9
122.06055	1.1
137.12971	0.8
158.72267	0.9
160.04037	18.6
192.81418	0.9
224.42975	1.0
250.11064	3.4
253.09814	5.1
265.06131	4.4
265.09634	6.1
266.10599	6.0
267.11444	10.2
279.07748	17.4
293.09354	41.4
294.10141	100.0
295.10797	4.0
301.77420	1.0
304.82193	1.1
311.10361	5.9
326.09048	9.8
326.12744	9.6
358.11813	1.6
366.08197	1.8
372.17322	2.0
390.17923	1.0
416.16211	3.8
434.17154	18.7
448.18790	4.3
466.19937	9.2
478.16296	14.6
510.18842	100.0
542.13239	8.5
542.21436	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	542.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48831	0.5
53.00918	0.4
59.01383	3.8
59.55931	0.4
59.89331	0.5
61.35228	0.4
78.95905	100.0
83.38057	0.5
91.39957	0.5
92.05048	1.0
92.23164	0.6
96.96960	23.9
101.88757	0.5
110.64726	0.6
120.05398	0.5
124.59197	0.5
136.04030	4.0
240.02823	7.1
282.03876	77.7
359.20596	0.6
515.12036	0.6
542.23804	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	542.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89057	0.7
58.76328	0.9
61.81793	0.8
75.52205	1.1
78.95899	100.0
80.27225	1.0
82.60009	0.9
87.87574	0.9
92.23146	0.9
96.96949	22.9
203.08205	1.7
240.02699	3.8
282.03839	69.3
296.09091	1.2
302.22751	1.0
308.07095	1.0
407.86688	1.0
542.23590	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	542.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85266	0.9
57.03454	1.4
59.01382	6.8
60.13798	0.8
62.02766	0.7
91.37878	0.8
97.06606	3.5
109.36136	0.7
123.08085	1.0
125.09713	68.6
134.17825	0.8
142.12325	1.0
152.10741	1.1
158.08208	1.0
169.08633	1.4
170.11870	4.9
172.09866	0.9
186.11357	100.0
188.01106	0.8
197.11859	1.1
214.14537	6.7
321.21863	1.0
322.20224	5.4
323.23322	8.1
339.22910	43.0
371.25522	29.2
380.22845	1.0
505.91614	1.0
542.38116	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	543.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28140	0.7
57.03450	29.8
59.01379	5.7
62.05475	0.9
63.35077	0.8
71.01377	1.8
71.10368	0.8
73.02936	10.5
87.04511	15.5
89.06075	57.5
99.00784	0.9
99.04510	24.7
100.26230	0.9
101.02458	6.6
101.59191	0.9
102.65009	0.9
105.03487	1.1
113.02438	1.4
120.88390	0.9
121.02950	31.0
125.02428	21.3
137.02455	3.9
143.03497	1.1
161.02466	9.8
161.04527	1.4
166.08888	0.9
189.01888	6.6
203.10445	1.5
219.02846	1.9
237.07693	100.0
305.08746	7.3
309.06052	1.2
315.30179	1.0
340.93900	0.9
495.62537	1.1
543.17200	10.3
543.24396	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	543.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01356	1.5
53.86967	1.6
57.03447	44.6
57.49418	1.8
59.01383	25.2
65.11459	1.6
71.01381	19.1
73.02950	17.7
85.02946	3.7
87.04506	19.2
89.02427	4.0
89.06076	69.9
96.95980	1.7
99.04518	51.1
101.02439	30.1
113.02453	11.1
119.01601	1.9
121.02937	49.6
123.04498	3.7
125.02446	16.9
136.01700	2.1
139.57080	1.7
143.03505	2.8
151.04028	3.9
152.01065	1.9
161.02458	89.6
161.04535	85.0
161.05930	1.8
165.46791	2.0
178.31427	1.8
179.05638	4.0
189.01962	40.6
196.61757	1.9
219.03020	15.8
237.07689	100.0
249.03999	2.2
252.37155	2.0
263.07785	7.3
305.08829	7.6
309.06216	10.0
399.12982	3.2
463.15216	1.9
525.23981	8.5
543.16614	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	543.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01149	0.5
59.01385	7.0
65.73788	0.4
71.01042	0.6
71.01381	6.2
73.02950	5.4
85.02933	1.0
89.02419	2.7
99.00896	5.6
101.02418	5.2
113.02435	7.2
114.24767	0.5
118.05021	0.6
129.03992	0.4
148.05307	48.5
149.06027	2.4
161.04591	2.3
163.07648	100.0
167.62944	0.4
217.22176	0.5
225.65298	0.5
259.45416	0.5
367.13959	1.8
457.17197	8.4
458.19153	0.7
499.18304	64.4
515.21185	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.7
59.61906	0.4
71.01373	3.7
72.09774	0.4
72.64246	0.4
73.02936	1.0
76.20569	0.3
78.98576	3.3
79.95710	3.0
80.96510	25.3
85.02914	0.9
87.00859	0.8
89.02422	0.4
94.98069	8.5
96.96008	0.7
97.02921	1.5
99.00874	0.8
101.02428	2.3
106.98077	2.7
113.02425	0.8
122.97562	2.5
125.02448	3.4
127.04041	0.5
134.97578	3.1
136.99123	0.9
148.99126	6.0
152.98636	5.1
164.98596	13.1
181.12302	0.8
199.13412	0.6
206.99738	3.4
217.87289	0.5
225.00760	28.7
225.11299	3.5
243.12425	0.9
299.04431	3.5
317.16013	0.8
341.43314	0.5
543.17548	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	30.1
59.01381	53.8
59.88725	2.3
61.98824	2.8
64.10992	2.7
66.64336	2.5
71.01385	19.9
73.02928	3.3
74.61842	3.3
83.01408	6.2
84.62392	2.6
85.02944	12.2
97.02930	6.0
99.00694	11.0
99.04527	20.7
101.02434	14.9
111.40899	2.9
112.01662	3.7
112.27366	2.7
113.02445	27.0
113.03107	2.7
121.02711	16.0
125.02386	14.8
139.03766	28.9
141.01698	3.7
143.03484	3.3
153.01749	3.5
166.99536	3.8
169.12071	3.2
181.04620	2.9
183.02750	100.0
190.44493	2.8
209.59503	2.9
211.13066	3.2
253.11694	2.9
253.14169	12.8
264.05399	3.5
267.95267	3.2
273.17004	11.6
313.16281	25.3
331.17468	38.7
355.17432	45.9
357.14767	3.1
361.62024	3.1
373.18338	21.1
397.18350	19.9
415.19537	40.5
441.24982	4.4
455.22861	5.1
457.20602	5.7
499.21671	22.7
543.28418	16.1
546.07703	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	543.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71412	0.8
57.03460	8.3
58.13368	0.7
59.01381	17.0
61.98827	0.7
66.89653	0.7
67.03184	0.7
68.39063	0.6
71.01360	4.2
73.02934	1.5
76.84470	0.8
85.02926	3.6
87.00873	0.8
88.98776	1.2
89.02432	1.5
95.08013	0.7
99.04517	14.4
101.02437	9.8
113.02451	5.9
117.01945	0.7
117.03458	5.9
119.03493	0.8
125.02451	7.0
134.03743	77.2
149.06073	13.1
160.01630	7.0
161.04514	3.8
175.02612	0.9
175.04015	15.9
178.02638	1.0
185.33765	0.8
193.05072	100.0
193.20927	0.8
235.11798	4.1
399.23819	1.5
441.25018	2.9
543.20776	37.5
543.27985	7.0
560.06311	0.9
569.50201	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.209
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.6
59.01377	4.9
61.98830	0.6
62.85013	0.5
71.01371	4.3
73.02929	3.0
78.95892	3.5
83.01358	0.6
85.02931	1.2
89.02438	1.1
99.04446	0.6
99.86889	0.7
101.02432	4.3
113.02404	3.1
117.03453	5.0
120.51910	0.7
134.03732	81.3
137.02399	2.4
149.06071	12.9
160.01628	6.4
161.04582	0.9
175.02602	0.8
175.03999	15.3
178.02675	1.4
193.05061	100.0
235.11807	4.1
243.23538	0.6
282.03900	1.1
283.04037	1.1
349.15106	1.4
367.16074	0.8
400.75021	0.6
431.21869	0.6
507.22253	1.0
543.20734	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	543.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52053	0.9
58.75831	0.9
62.11630	0.9
72.00886	1.1
73.03011	1.0
73.76521	0.9
74.02453	13.9
78.83097	1.0
78.86485	0.9
100.00401	2.4
109.06564	4.1
112.01342	1.0
114.06586	0.9
115.87316	0.9
116.05049	14.1
122.09736	6.5
134.09775	1.1
142.06609	4.9
152.07161	2.2
159.09297	7.5
166.08714	17.9
186.05547	1.9
203.08279	49.2
210.07733	6.4
250.45691	1.3
295.14349	1.4
339.13486	4.3
539.32245	1.3
543.22559	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	543.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33500	0.6
54.43605	0.6
57.03432	0.6
59.01382	38.0
59.25624	0.5
71.01015	1.0
71.01380	20.8
72.99297	1.0
73.02933	3.8
78.94987	0.5
83.01384	1.3
85.02956	5.8
87.00862	1.4
88.98785	1.2
89.02433	26.9
95.01395	1.0
95.30373	0.6
96.95971	1.0
97.02946	0.9
99.00876	1.4
101.02441	24.1
113.02439	14.4
115.04004	0.7
116.92841	1.3
119.02803	0.8
119.03500	9.9
119.04963	0.6
125.02457	0.6
143.03554	1.1
152.01195	0.7
159.02974	1.0
161.04573	6.2
179.05646	1.4
212.69089	0.6
248.34125	0.7
249.13420	13.0
260.51117	0.6
293.08722	0.7
381.17615	5.8
543.22992	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	543.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65469	0.8
53.91181	0.8
59.01378	19.7
71.01375	23.5
73.02940	8.5
79.79675	0.7
80.96519	1.2
83.01389	3.7
85.02945	7.8
87.00855	1.4
89.02440	15.3
97.02956	2.1
99.00870	3.9
99.04520	1.0
101.02439	31.9
106.52013	0.8
113.02440	11.7
119.03491	3.5
125.02423	6.3
131.03523	1.5
143.03468	1.2
144.63258	0.9
159.02966	1.8
161.04549	15.7
164.07433	1.1
164.98732	0.9
225.00687	1.0
249.13458	29.5
309.50793	1.0
381.17783	12.3
411.18552	3.6
543.23083	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69291	0.4
58.02969	0.8
60.78472	0.5
63.09641	0.5
70.02979	4.7
79.15582	0.5
82.15386	0.5
82.94395	0.5
86.34698	0.5
89.29613	0.5
96.00898	4.0
98.02462	1.1
98.84473	0.5
101.94514	0.5
109.04524	0.5
112.05142	0.6
113.03552	7.9
114.01964	18.1
115.05129	8.5
128.03537	0.5
129.10315	3.4
130.06245	4.9
131.04613	15.3
136.71638	0.5
146.72902	0.5
147.36143	0.5
154.06227	7.5
155.04683	1.9
155.08229	0.8
169.09798	2.7
172.07277	21.1
182.12994	1.0
186.12572	0.6
207.15042	12.1
224.14064	0.9
224.17735	2.5
226.11992	2.1
240.13469	0.8
242.18736	16.0
246.19107	0.5
264.17209	0.6
268.16730	2.2
281.19833	15.7
299.20917	18.9
313.22772	0.6
338.22116	0.9
353.21838	1.9
356.23120	4.2
370.24823	0.7
380.23175	0.9
398.24139	17.4
495.25931	0.9
513.26947	2.8
525.26721	2.1
543.27942	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	543.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
63.94536	1.0
65.86168	1.2
73.04069	5.4
86.45266	1.2
92.22441	1.3
96.95981	5.4
98.95594	1.9
113.03573	2.5
114.05600	11.8
117.06647	1.7
129.10318	1.3
130.08795	1.3
145.78464	1.0
153.06715	2.3
169.09805	7.3
170.05789	1.3
171.07730	7.3
182.12891	1.3
184.10918	6.3
186.12497	21.1
187.08380	1.6
198.84004	1.1
200.14009	1.7
225.13574	10.4
226.11839	1.2
226.15662	1.4
230.15111	1.3
241.13058	16.5
243.14651	64.5
287.17438	2.1
340.16354	6.3
354.21521	7.2
383.45926	1.4
384.18832	1.3
411.23615	4.6
455.23071	2.0
457.27097	1.2
499.25406	10.4
543.27887	100.0
547.56940	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	543.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06337	2.0
50.24996	2.0
57.03195	3.3
57.03452	56.6
57.31589	1.9
59.01100	5.2
59.01385	100.0
59.14148	1.9
71.01386	12.2
73.02948	4.2
80.36768	2.5
85.02958	3.9
86.90407	2.3
87.64862	2.9
89.02435	3.7
99.00890	2.9
99.04515	65.0
101.02454	22.0
113.02433	4.4
125.02430	40.3
143.03531	2.7
166.08752	3.0
203.08299	4.9
218.31508	2.7
225.11368	3.7
312.87131	2.3
399.23856	11.5
441.24915	15.5
543.29126	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	543.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06337	2.0
50.24996	2.0
57.03195	3.3
57.03452	56.6
57.31589	1.9
59.01100	5.2
59.01385	100.0
59.14148	1.9
71.01386	12.2
73.02948	4.2
80.36768	2.5
85.02958	3.9
86.90407	2.3
87.64862	2.9
89.02435	3.7
99.00890	2.9
99.04515	65.0
101.02454	22.0
113.02433	4.4
125.02430	40.3
143.03531	2.7
166.08752	3.0
203.08299	4.9
218.31508	2.7
225.11368	3.7
312.87131	2.3
399.23856	11.5
441.24915	15.5
543.29126	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	543.2971
Annotation	CHEBI:69141
Peak:m/z	Relative Intensity
59.01384	100.0
66.29807	0.5
98.46162	0.6
112.98549	1.1
116.92888	0.7
120.76072	0.5
159.08240	0.6
232.85820	0.7
441.33575	1.4
470.38947	0.8
543.28827	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	543.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91077	0.7
57.03448	8.5
59.01382	100.0
59.58244	0.6
71.01365	3.1
75.00868	0.8
79.27362	0.8
85.02916	0.7
85.06583	1.4
87.00814	2.5
92.22435	0.9
99.04503	8.1
101.02441	4.4
113.02442	1.4
113.87469	0.8
125.02440	4.3
183.13869	0.9
203.14372	0.7
267.17557	1.7
397.23825	1.0
417.28275	1.1
435.29010	5.0
441.24701	1.7
453.30157	5.0
465.30112	5.9
483.31198	69.7
543.27649	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	543.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73200	1.4
59.01384	100.0
66.71137	1.5
87.77726	1.4
87.82682	1.7
92.61803	1.4
128.79724	1.6
151.37682	1.4
173.04568	2.9
185.13544	1.7
186.11343	1.9
228.86226	2.1
270.47849	1.7
442.65866	1.7
483.31345	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	543.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.3
97.86993	1.1
173.00339	1.0
205.44759	1.1
210.16930	1.2
243.13747	1.2
505.35391	5.4
543.34747	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	543.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92887	1.8
53.87040	1.6
59.01379	41.9
74.74036	1.9
78.53444	2.3
81.80151	2.0
83.32281	2.2
97.83482	2.2
151.11256	3.6
169.12355	33.0
171.10245	38.0
183.72508	2.7
193.12663	2.1
214.26350	2.4
255.23277	51.1
270.37305	2.4
380.65726	2.6
458.66678	2.3
543.39075	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32501	1.8
58.10867	2.0
59.32456	2.1
61.98847	2.1
63.36365	2.0
67.50126	1.8
68.05309	1.9
73.06047	2.5
77.38007	2.1
78.95898	38.9
97.37194	2.1
99.92587	10.7
100.93334	4.4
110.98505	14.9
115.92071	12.6
116.92838	16.4
164.90475	3.2
167.01134	3.6
178.88431	9.3
179.89229	34.4
180.89975	9.3
193.90765	45.5
194.91624	12.5
196.89502	44.2
277.21967	2.9
335.54895	2.1
339.94498	2.2
355.74411	2.1
527.15186	19.8
545.16168	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	545.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24431	1.1
51.57919	1.0
51.76805	1.0
55.53965	1.0
59.01372	2.7
61.98828	2.3
63.63605	1.0
67.80665	1.1
68.17248	1.2
78.95901	32.8
88.73493	1.1
99.92592	11.1
100.27371	1.2
100.93365	1.7
110.98515	10.7
115.92060	6.7
116.92857	7.4
150.98018	1.6
155.95056	1.5
160.70401	1.4
163.89719	1.6
164.99580	2.4
165.77628	1.1
167.01126	5.9
169.58803	1.4
172.95328	1.4
178.04552	1.2
178.88397	10.4
179.89217	23.4
180.89995	10.7
181.90796	5.0
193.90781	39.6
194.91644	8.9
195.92395	1.2
196.89502	54.1
196.91249	2.0
210.91016	2.4
217.66197	1.2
236.92529	1.4
249.93436	2.7
252.92140	1.8
266.93735	1.6
267.94547	1.7
277.21777	2.3
321.45859	1.2
423.10046	1.5
527.15240	12.3
545.16205	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	545.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85212	1.1
57.03451	100.0
59.01382	74.4
68.48682	1.5
71.01376	2.9
71.09695	1.5
73.02959	1.7
74.02492	1.6
81.03485	1.6
85.02922	1.6
86.45203	1.7
92.22511	2.7
96.07412	1.3
99.04510	98.3
100.20095	1.7
101.02430	25.4
113.02417	3.3
116.05099	1.5
125.02448	34.2
143.03474	2.8
152.57294	1.5
203.08409	1.7
227.36218	1.6
253.09320	3.4
291.19650	1.8
295.47794	1.5
309.20697	8.7
349.37854	1.8
357.19122	3.0
501.23834	6.8
545.23346	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	545.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80202	1.1
56.33749	1.1
57.03450	98.9
59.01381	81.8
59.01687	1.9
67.19692	1.4
81.03445	2.4
89.02468	1.4
92.23117	1.7
99.04513	100.0
99.05166	3.3
100.42989	1.3
101.02441	22.3
125.02431	29.7
142.14978	1.6
143.03503	6.4
161.04579	1.9
165.01898	2.4
225.22865	1.3
258.47934	1.3
262.20575	1.4
271.06241	3.2
283.02560	2.2
299.05621	14.0
357.19177	3.1
381.29544	1.8
399.20209	2.5
501.23428	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	545.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98834	1.5
57.03451	100.0
59.01382	81.7
60.88244	2.1
66.06310	1.5
66.13129	1.6
71.01371	4.9
74.02485	18.8
81.03435	1.9
84.00220	1.9
89.02444	8.6
90.61253	1.8
99.04514	98.1
101.02422	31.7
111.08173	8.4
112.77724	1.8
113.02419	4.3
116.05072	7.5
125.02427	35.5
143.03535	2.6
158.08159	3.4
161.04556	3.1
171.10234	12.0
185.11783	2.5
197.11867	37.3
203.08258	21.3
209.15414	9.1
211.13419	8.1
212.09247	3.0
251.16489	3.0
253.09300	28.3
291.19626	13.9
295.51563	1.9
296.17657	2.7
309.20752	44.9
336.06323	2.3
501.23495	4.6
545.23663	48.0
545.29578	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	545.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39956	1.0
57.03453	100.0
59.01384	80.9
67.97004	0.9
69.32533	1.0
71.01389	1.8
73.02950	4.2
89.02439	2.3
92.19359	1.1
94.50651	1.1
96.66985	1.0
99.04515	94.6
101.02435	24.7
113.02406	2.0
117.23479	1.1
125.02435	35.8
143.03508	5.8
196.42311	1.1
201.43915	1.3
203.08316	1.3
209.22391	1.0
209.72305	1.2
212.09491	1.2
291.19507	1.1
296.92654	1.2
309.20810	5.4
323.62964	1.2
331.05249	1.2
357.19409	4.1
399.20148	1.7
501.23645	6.0
545.24353	5.3
545.33185	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	545.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58706	0.7
51.22448	0.7
52.44358	0.7
54.45557	0.7
57.03194	1.1
57.03451	21.6
59.01384	18.2
61.44352	0.7
62.41158	0.7
71.01378	3.6
73.02913	1.0
74.02086	1.3
74.02470	30.3
75.59232	0.8
85.02905	1.4
87.00849	1.0
89.02412	3.6
92.22543	1.4
92.89880	1.1
99.04513	27.2
100.00349	2.2
101.02470	7.6
111.08134	5.8
113.02457	7.9
116.05067	12.8
119.03458	1.2
125.02431	16.6
128.78729	0.9
130.21814	0.9
142.06599	4.3
143.03500	1.2
150.09189	3.6
151.55966	0.9
153.09190	1.5
154.08702	1.8
156.10693	1.0
159.09221	3.7
161.04572	1.5
167.10396	1.0
167.11861	4.5
168.10283	12.0
170.03351	1.0
172.09781	4.9
175.03957	1.2
182.40251	0.9
186.05508	1.5
203.08281	28.5
204.08539	1.5
212.09286	14.3
225.12387	2.0
269.11176	1.1
283.02399	1.4
287.12573	1.9
294.22382	1.0
297.16104	4.6
299.05313	1.0
354.18314	2.1
416.17801	1.5
443.26346	1.2
517.15350	1.1
545.15692	4.9
545.23871	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	545.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24546	0.4
57.03446	2.4
58.02976	1.0
59.01371	3.6
68.35583	0.5
72.00896	0.9
72.04537	3.6
73.55258	0.6
74.02470	28.0
83.25295	0.5
92.23148	1.1
97.06561	5.6
99.01980	1.0
99.04469	1.0
113.03554	1.4
114.01970	1.0
116.05054	14.3
125.02457	0.7
136.07674	4.1
140.07181	1.2
142.06619	2.9
153.10315	2.6
154.08702	2.9
155.24812	0.7
158.08215	14.5
159.09297	6.7
167.11859	2.6
179.11917	2.5
180.06636	3.1
186.05605	0.9
201.10352	0.6
203.08278	40.0
211.10927	11.5
212.09367	1.5
253.09235	0.8
255.09799	5.8
265.13467	0.6
287.12491	4.0
296.17654	13.6
309.20731	3.6
340.16699	3.0
341.15048	1.0
416.18323	3.5
545.24133	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	73.2
59.01103	1.8
59.01384	43.9
66.32244	1.0
66.70477	1.2
69.80305	1.3
70.58089	1.2
71.01382	10.6
73.02949	1.7
73.52494	1.0
75.44979	1.3
77.45286	1.1
81.03458	1.6
83.69064	1.1
84.84148	1.3
85.02955	6.8
89.02422	3.0
95.01401	1.2
99.04516	100.0
101.02444	25.4
110.72952	1.2
113.02422	19.4
119.03486	2.0
125.02437	66.2
133.80800	1.2
140.08420	6.7
143.03528	8.4
161.04597	10.6
192.20135	1.2
197.13638	2.4
197.15483	75.3
205.79663	1.2
213.12849	1.4
221.06677	1.7
221.15411	6.2
239.16563	37.3
241.27888	1.5
243.90222	1.2
255.68271	1.2
283.02625	2.4
290.03540	1.7
299.05850	2.1
401.26151	1.6
466.21118	1.3
501.17029	1.7
501.27185	5.8
509.48065	1.4
545.14813	4.9
545.26721	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	545.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01099	0.9
59.01377	14.2
61.98819	1.0
64.10522	0.8
71.01374	8.7
72.99315	2.2
75.00867	10.6
85.02942	12.0
87.00851	3.5
89.02448	3.7
95.01357	4.4
99.00867	4.6
103.00407	1.4
113.02442	20.1
113.09728	1.3
115.00337	1.0
117.01907	1.6
128.46198	1.0
183.13942	1.4
186.16464	1.2
195.13889	12.2
249.06133	1.9
252.55556	1.0
267.07239	1.5
277.21790	8.5
295.22818	17.7
371.24478	1.3
445.28253	1.1
459.29309	1.3
501.30582	4.8
545.29700	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	545.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27021	1.0
59.01371	10.0
61.98819	2.2
63.79479	1.3
69.22041	1.3
71.01370	8.7
72.99320	1.6
73.02935	1.7
75.00869	7.9
85.02933	12.4
87.00851	2.7
89.02464	2.5
95.01358	2.6
96.96027	1.7
99.00861	3.2
101.56371	1.2
113.02434	18.3
162.58421	1.4
171.10281	15.0
277.21750	12.9
295.22787	9.1
397.41599	1.8
545.29730	100.0
545.38141	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	545.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56733	0.6
59.01382	12.7
61.98844	1.2
65.66783	0.6
69.03424	0.7
71.01374	6.2
74.15253	0.6
75.00871	9.8
85.02953	12.9
87.00860	3.4
89.02428	4.3
95.01380	3.7
99.00844	5.8
103.00374	1.4
113.02438	14.2
115.00320	1.0
117.01904	2.7
144.04601	0.7
171.10272	20.3
175.02536	1.0
249.06236	5.8
267.07230	1.1
277.21744	26.1
295.22809	18.9
388.46649	0.7
545.29712	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	545.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03195	0.7
57.03458	13.6
59.01384	100.0
59.56208	0.8
63.43587	0.6
67.78474	0.7
71.01394	5.8
72.41224	0.7
72.99307	1.9
75.00874	7.1
77.61227	0.8
81.03431	0.8
85.02940	10.1
86.51848	0.8
87.00869	1.7
89.02438	1.1
95.01395	1.9
97.09912	0.9
99.00880	3.8
99.04520	17.3
99.05099	1.5
99.45712	0.8
101.02444	3.0
113.02445	11.7
117.01940	0.7
122.13647	0.8
125.02451	8.0
132.03004	0.9
151.28847	0.7
161.67947	0.9
172.09755	1.2
186.43649	0.8
195.13919	11.4
205.07205	1.0
227.31296	1.0
249.06192	3.9
260.14740	0.9
277.21683	11.0
295.22781	29.9
295.25998	1.4
347.63580	0.8
545.29095	47.9
545.35046	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	545.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38293	77.0
78.55453	90.4
80.93963	77.3
83.61068	75.5
101.32129	100.0
177.96249	84.8
532.14014	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	545.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50657	1.7
57.03452	58.0
59.01384	100.0
64.19122	1.8
71.01387	2.9
73.02947	1.9
75.16429	1.9
85.02940	3.2
85.67538	1.8
89.02436	2.5
90.84061	1.9
92.23051	2.5
99.04511	57.3
101.02448	17.2
109.83010	1.7
113.02491	2.7
114.54941	2.1
125.02438	30.7
143.03548	2.4
160.29553	1.9
161.04501	2.2
197.11900	2.2
213.64331	2.0
250.88707	2.1
281.20996	2.2
291.19568	3.6
309.20792	10.1
314.97913	1.9
387.81308	2.0
443.26569	4.1
467.31610	39.4
485.32672	27.7
501.23471	3.3
545.29333	9.7
545.35974	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	545.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75459	0.7
57.03460	8.9
58.69497	0.7
59.01384	100.0
63.72707	0.7
71.01373	1.3
85.45084	0.8
87.00880	5.8
88.98815	1.3
94.98091	1.4
96.21376	0.7
99.04523	7.5
101.02433	3.2
102.12109	0.8
113.02448	1.7
113.06116	1.7
122.47792	0.8
125.02433	5.3
125.09707	4.1
148.63539	1.0
150.68265	0.9
156.10481	0.8
187.09813	4.2
189.35913	1.1
191.57634	0.8
239.10796	4.0
261.13599	1.1
443.26404	1.7
467.32071	3.0
485.31995	4.4
545.27155	4.5
545.35052	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	545.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.6
59.01383	100.0
71.01383	0.4
74.79430	0.4
94.98081	1.6
99.04502	3.3
101.02451	0.7
115.90640	0.4
125.02486	1.9
207.60149	0.4
443.26514	0.7
455.31839	2.4
467.31790	0.8
485.32758	5.4
545.27594	0.6
545.35956	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	545.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29947	0.7
55.47063	0.6
55.48206	0.7
55.83205	0.6
57.03450	15.9
59.01381	100.0
71.01385	1.4
85.02972	0.8
87.00887	0.7
92.14234	0.7
92.50499	0.7
99.04510	21.2
101.02437	4.9
113.02431	1.1
125.02444	11.2
126.77356	0.8
143.03542	0.8
224.02863	0.8
224.87007	0.8
236.16620	0.7
244.16566	0.8
273.18277	1.0
329.21243	4.3
355.22766	4.1
401.20178	0.8
401.25293	0.9
411.29160	4.5
437.30652	2.9
440.29355	6.4
443.26563	0.9
455.31705	41.2
485.32773	24.4
545.18939	1.0
545.30304	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	545.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98833	1.9
71.01382	2.7
75.00881	2.7
78.69434	1.5
85.02950	3.9
96.27721	1.6
108.33074	1.6
113.02465	4.5
151.06734	2.0
171.10271	3.7
177.09235	1.8
203.10883	2.3
246.42244	1.9
277.21750	9.0
295.22720	7.0
312.21039	1.8
334.30548	1.8
469.29410	8.2
485.26004	2.4
485.32898	63.7
545.29193	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	545.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01583	0.3
57.03449	4.0
59.01381	100.0
60.85323	0.4
64.20274	0.4
71.01393	1.7
73.64787	0.4
80.24096	0.5
81.07116	0.4
81.96664	0.5
85.95939	0.4
87.00875	1.7
88.98820	0.6
89.02421	0.5
99.04499	4.2
100.71775	0.4
101.02448	1.0
125.02442	1.9
332.48514	0.5
385.36301	0.5
417.14572	0.5
467.31543	3.3
485.32666	19.0
545.34833	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	547.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40932	1.3
55.77496	1.5
57.61759	1.5
57.96444	1.6
60.60313	1.7
67.03748	1.7
70.95000	1.5
85.24896	1.5
87.46918	1.5
90.41817	1.5
102.47638	1.7
112.61868	1.9
137.69830	1.8
141.11307	1.9
227.03334	2.7
236.71144	2.0
255.02974	14.1
256.03836	2.1
283.02512	96.4
284.03281	40.1
298.04855	77.0
299.05652	87.8
415.00311	2.0
503.12030	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17436	1.0
88.65936	1.2
92.22477	1.3
122.66859	1.0
161.99596	1.3
163.95407	1.1
227.03395	1.4
255.03027	10.5
256.03784	4.1
283.02512	73.9
284.03290	26.7
298.04846	62.9
299.05637	61.0
336.94818	1.2
482.04172	1.3
503.12036	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29736	0.5
57.00467	0.5
59.01386	11.4
66.67005	0.5
73.02957	0.5
84.25433	0.6
85.02947	0.8
96.95979	1.2
99.00863	0.7
101.02422	0.6
103.31952	0.6
103.83569	0.6
113.02438	0.7
118.82828	0.7
130.61205	0.5
139.28847	0.5
149.02452	0.7
151.00337	1.1
162.15891	0.6
240.04636	0.8
255.06622	1.3
256.03644	0.7
259.70511	0.7
264.74072	0.7
267.03009	3.1
268.03784	27.8
270.05344	1.1
283.06128	42.6
284.03268	39.6
285.04169	3.4
297.03894	0.7
298.04831	2.8
299.05621	100.0
341.06815	0.8
461.11072	1.2
466.37457	0.7
503.12000	74.4
525.25336	0.9
547.23999	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	547.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07059	0.7
59.01372	1.3
59.12273	1.0
101.02465	1.1
104.86266	1.0
105.48582	1.1
117.27708	1.0
121.99471	0.9
135.00946	3.6
142.47714	0.9
151.13130	0.9
152.86096	1.0
194.35385	1.0
214.02658	1.5
222.81602	0.9
240.04266	3.5
255.02988	4.7
256.03781	1.8
283.02466	11.6
284.03281	100.0
299.05655	51.4
299.49725	1.0
317.58966	1.2
444.99847	1.0
503.12021	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	547.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62674	0.5
57.03450	2.6
59.01381	2.3
71.01382	1.0
78.44675	0.5
81.03457	0.6
83.01393	2.1
83.64843	0.5
86.49164	0.5
94.87924	0.5
99.00868	0.9
99.04527	0.7
101.02461	0.9
113.02409	1.0
123.04502	7.8
125.02435	100.0
137.02507	0.5
139.04037	0.8
146.53366	0.5
149.02446	8.0
150.03215	1.1
161.04590	0.8
165.05577	1.1
166.48502	0.6
167.03493	81.1
179.03523	1.0
191.03476	0.6
209.04651	0.7
299.07849	1.0
389.13852	0.6
419.11810	0.8
443.11945	0.8
461.13168	5.7
503.14163	89.5
547.19330	2.6
547.29010	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35954	0.4
57.03449	2.8
58.76457	0.6
59.01101	1.2
59.01382	22.8
59.95195	0.6
71.01380	1.7
89.53206	0.6
90.61024	0.7
92.23114	0.8
99.04516	3.4
101.02420	2.9
125.02444	0.9
136.38367	0.7
140.07307	0.7
155.83968	0.9
161.04657	0.7
186.58539	0.7
193.05138	1.1
194.01988	0.8
239.03354	2.7
267.02997	6.0
268.03790	67.4
272.21591	0.8
273.36102	0.9
283.06140	100.0
377.30258	0.8
385.18790	1.2
403.19894	5.5
412.08200	1.0
427.10220	2.8
547.23792	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	547.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77856	1.0
57.03442	2.6
58.01062	1.0
59.01377	2.9
65.86898	1.0
71.01360	5.5
72.99294	2.1
74.22153	1.2
83.01393	1.9
85.02464	1.8
85.02933	19.5
87.00865	2.0
87.04536	2.1
97.02920	2.8
99.00847	5.3
103.18520	1.0
111.00852	2.3
113.02416	1.5
115.04029	4.5
129.01926	14.2
134.02815	1.7
134.03748	17.0
137.02501	1.3
141.01947	2.3
149.06105	15.4
157.59123	1.2
159.03012	1.3
175.03978	5.9
178.02740	18.1
179.03514	2.7
190.43732	1.0
191.05626	7.6
193.05063	78.4
209.06703	11.6
223.06122	1.8
259.05713	1.4
385.11423	5.1
547.16760	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85352	0.6
52.27141	0.7
58.16153	0.7
59.01373	1.2
71.01366	1.0
77.02587	0.7
78.95898	27.3
99.92580	9.7
100.93360	1.2
110.98512	10.3
111.77936	0.7
115.92085	8.7
115.93257	0.8
116.92831	8.4
137.10181	0.8
142.94348	1.0
150.98000	1.2
164.90442	2.9
164.99559	4.8
167.01144	3.8
174.42952	0.7
178.88445	9.3
179.89215	16.5
180.89992	10.9
181.90837	1.1
193.90767	34.2
194.91528	8.5
196.89496	50.9
210.91005	4.9
235.91823	1.2
236.92694	1.2
249.93263	3.7
250.94214	1.5
252.92145	1.8
265.92578	0.7
266.93646	1.6
267.94455	1.4
279.23282	6.3
283.02441	1.2
299.05783	1.4
473.55569	1.0
503.12125	1.0
529.16620	8.1
547.17737	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.2
64.67122	0.8
64.85391	0.7
78.95898	29.9
84.93868	1.0
99.92598	9.2
100.93356	10.7
110.98525	10.6
115.92075	9.3
116.92858	10.0
116.97818	0.8
117.42280	0.7
124.92506	0.8
129.62311	0.8
137.79489	0.7
150.98015	1.1
154.94403	0.9
163.89775	1.2
164.90511	17.0
164.99539	0.9
167.01158	1.8
178.88446	11.4
178.92032	1.7
179.89214	27.3
180.89981	7.8
181.90768	1.3
193.90781	31.4
194.91566	18.7
195.92410	1.3
196.89508	26.4
210.74324	0.9
219.92369	1.0
235.91870	0.8
236.92685	3.0
249.93416	6.2
250.94362	1.4
266.93771	1.4
279.23273	3.9
325.07458	0.7
379.28485	1.4
393.15195	0.9
529.16602	9.8
547.17780	100.0
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
54.58970	0.7
57.03452	1.2
59.01382	38.2
71.01377	9.2
73.02949	1.3
75.00465	0.8
75.00867	19.2
83.01349	0.7
85.02940	2.8
87.00858	1.0
89.02436	18.3
94.98035	1.5
96.95976	1.2
99.00860	1.0
99.04507	3.5
101.02431	8.1
113.02456	6.0
115.03984	0.9
117.01909	3.2
119.03450	3.9
125.02423	1.0
135.02998	100.0
161.13339	6.2
165.04065	2.8
169.42996	0.7
175.03902	1.4
205.12367	8.8
223.13408	1.6
241.10907	0.7
249.11256	1.3
389.21774	3.3
429.17532	1.5
547.20294	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	547.2202
Annotation	Bruceantin
Peak:m/z	Relative Intensity
57.03455	10.0
59.01389	7.4
60.66364	0.7
71.01385	1.0
71.25879	0.7
72.76857	0.8
74.02471	21.7
74.02863	1.4
86.02478	1.0
92.23099	1.2
97.06596	5.2
99.04503	11.1
101.02473	3.3
107.97971	1.0
109.41577	0.9
116.05045	9.0
121.92324	0.8
125.02465	5.4
130.06647	1.1
131.03807	4.1
132.04536	11.5
140.07156	8.7
142.06558	1.1
143.03474	0.9
144.04625	0.9
154.08757	5.9
157.07730	5.5
158.06177	4.3
158.08286	1.9
159.09285	3.6
175.08788	4.6
198.07729	9.5
201.06767	4.7
203.08292	33.3
219.07735	8.2
223.10965	1.2
241.11938	4.4
298.05087	1.0
299.05835	1.4
300.17340	1.2
345.14722	1.5
370.17825	1.5
403.13089	5.9
445.14230	1.6
503.12073	2.0
507.31784	0.9
529.21429	3.4
547.22272	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80275	0.8
56.38851	0.8
57.03434	5.2
59.01379	40.5
64.54497	0.8
65.52664	0.7
68.60730	0.8
71.01377	3.9
71.91866	0.8
72.66168	0.8
72.81254	1.0
73.02931	1.9
74.02466	11.3
79.04575	0.8
83.01393	1.0
89.02455	1.3
92.23222	0.9
96.96010	1.2
99.04523	7.4
101.02463	5.3
108.41134	0.9
113.02456	3.7
116.05051	8.5
118.06646	1.5
122.09721	1.5
125.02422	3.9
128.05043	4.8
131.03712	1.1
142.06624	2.0
143.66304	0.9
144.04549	17.2
146.06136	10.7
159.09233	5.2
165.11903	1.0
166.08736	5.1
186.05527	1.7
190.05089	5.6
203.08272	80.4
210.07680	2.0
225.81920	1.0
227.03317	1.3
227.10411	4.0
255.02956	9.3
268.03802	24.2
281.04507	2.3
282.05350	1.3
283.02512	44.0
283.06110	100.0
284.03189	14.7
298.04858	34.5
299.05612	38.5
325.07092	1.2
339.13446	1.3
347.40610	1.0
356.16187	20.9
403.11719	1.2
487.12503	4.8
487.32706	12.5
503.04691	1.9
503.11935	40.6
505.33517	1.8
547.15784	2.7
547.22070	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	547.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83043	0.4
52.55862	0.4
56.18848	0.4
57.10637	0.4
59.01390	0.4
64.80502	0.4
73.15270	0.4
80.05054	0.5
92.23080	0.8
92.31695	0.4
109.71125	0.4
137.77641	0.5
150.74648	0.4
168.80678	0.4
240.65115	0.5
283.02509	2.0
298.04831	0.8
299.05661	0.6
324.23129	0.5
419.22208	0.7
429.20932	2.2
430.21960	0.6
432.23105	3.3
443.22495	15.0
444.23245	11.9
447.25577	16.5
457.24219	3.5
458.24985	1.8
459.18188	7.6
459.25308	5.8
460.23239	19.2
470.21094	0.5
473.19901	2.3
474.20447	48.3
475.25449	15.3
476.14462	0.6
476.22141	0.7
485.23962	1.0
487.21381	0.8
488.22220	13.3
502.23837	0.5
503.12360	2.0
503.24597	32.2
519.23944	3.4
532.21063	0.7
547.23578	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54510	0.7
53.73707	0.7
56.91909	0.7
57.03450	29.7
57.79646	0.8
58.87035	0.6
59.01384	53.5
62.61594	0.7
70.34181	0.8
71.01376	12.0
73.02940	3.9
83.01379	4.9
85.02951	9.5
89.02432	4.8
95.01387	1.5
97.27856	0.7
99.00867	1.2
99.04514	57.8
99.05167	1.9
101.02444	21.6
113.02435	13.3
118.05150	0.8
119.03504	1.4
125.02429	33.4
143.03494	3.8
161.04544	3.1
385.18640	31.1
403.19769	100.0
445.16293	0.8
445.20801	35.9
485.24246	3.7
503.25073	12.9
547.24091	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	547.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	30.1
59.01382	100.0
70.31036	2.1
71.01379	52.6
73.02943	4.5
75.00867	1.9
83.01425	2.1
84.89262	1.7
85.02942	17.3
87.00838	2.7
89.02435	70.4
95.01390	4.8
99.00886	7.1
99.04515	21.5
101.02437	40.1
113.02444	41.7
119.03493	30.6
125.02402	13.4
143.03516	2.7
161.04594	3.6
164.04750	12.8
167.03490	4.1
179.05585	13.5
179.07141	16.5
187.11232	2.5
205.12314	26.4
223.05991	2.5
223.13278	2.2
249.06133	7.7
297.09756	8.2
367.17636	17.1
385.18726	61.7
403.19794	58.8
427.19565	13.9
445.20715	3.1
547.16614	52.4
547.24042	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	547.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03194	2.6
57.03451	43.6
59.01157	2.6
59.01380	71.2
62.99212	1.6
62.99558	1.6
71.01376	40.3
73.02943	7.4
78.95897	2.8
85.02943	11.5
89.02437	49.4
95.01399	3.2
96.96005	3.7
99.00829	2.3
99.04509	66.4
101.02432	46.2
113.02435	40.2
119.03485	25.8
125.02438	33.8
125.72321	1.6
131.03461	2.2
143.03465	7.2
147.83559	1.7
161.04567	10.0
171.00682	2.4
179.05580	2.4
193.12386	2.9
211.13351	8.8
355.17603	11.4
365.39264	2.4
373.18674	29.5
385.18704	43.8
403.19748	100.0
445.20816	36.5
467.03369	1.9
503.24985	8.5
547.17584	8.5
547.24286	72.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79740	0.5
59.01384	100.0
71.01383	3.8
72.84282	0.5
73.02948	1.0
74.02484	3.2
75.76755	0.6
84.49187	0.5
85.02961	1.3
101.02433	1.4
112.78761	0.6
113.02442	2.5
116.05026	0.7
144.04572	3.9
146.06114	1.2
161.04541	0.7
194.49023	0.6
202.73018	0.6
203.08275	4.6
227.10414	0.9
283.06290	1.1
311.22400	1.2
343.22867	2.4
356.16235	3.8
487.27185	2.4
505.28043	3.7
547.21948	8.9
547.29456	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	547.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16093	1.0
52.17448	1.0
55.78371	1.3
57.03451	73.0
59.01382	100.0
61.98792	1.2
71.01369	8.6
73.02932	2.8
81.03468	1.6
85.02962	5.7
87.00850	1.7
89.02454	3.0
92.24283	1.2
96.96011	7.1
99.04512	99.3
101.02447	29.2
113.02423	4.9
125.02444	39.9
135.17599	1.1
142.69501	1.2
143.03490	6.2
148.41881	1.2
148.47983	1.2
161.04538	2.1
174.53467	1.3
241.18111	1.6
242.47810	1.2
255.03122	1.8
283.02515	21.7
284.03229	7.1
298.04861	15.2
299.05600	16.7
338.52719	1.5
385.25845	2.0
403.27185	7.5
445.28091	14.7
487.32883	6.9
503.12189	20.3
503.24847	6.3
503.31897	1.7
547.31134	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	547.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85992	0.9
51.15213	1.0
53.76530	0.8
57.03448	24.8
58.18523	0.9
59.01383	100.0
71.01378	15.4
73.02944	6.4
83.01364	3.8
85.02962	7.2
87.28970	0.9
89.02457	6.0
99.00853	2.2
99.04512	29.1
101.02444	15.3
113.02431	8.9
119.03493	1.7
125.02444	19.8
143.03528	1.9
161.04541	2.2
179.05644	1.6
181.10110	1.1
183.13896	2.4
229.18030	5.0
283.02505	4.8
284.03247	1.5
298.04944	1.7
299.05518	5.8
373.22253	1.4
391.23441	4.9
403.12988	15.4
445.13885	6.0
452.89426	1.3
487.32800	66.8
503.11884	2.5
505.34042	13.1
547.16663	21.5
547.35425	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	547.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	22.2
57.03723	1.6
58.03777	1.4
58.21140	0.7
59.01384	100.0
60.01706	1.6
61.98819	0.8
71.01369	6.7
72.99282	0.7
73.02939	1.2
73.21143	0.8
75.00886	1.9
75.31711	0.7
82.34642	0.7
82.48827	0.7
85.02941	4.7
86.66662	0.9
87.04506	8.0
89.02421	3.1
99.00902	1.3
99.04515	27.2
100.04861	4.3
101.02431	9.8
104.87950	0.9
113.02446	5.7
125.02451	9.9
126.02766	0.9
134.78905	0.9
136.97038	0.8
143.03508	1.8
161.04585	1.5
183.13875	8.7
283.02469	5.2
284.03369	1.6
287.98016	0.8
298.04816	6.3
299.05606	6.0
350.31332	0.9
403.23135	1.7
487.25668	3.8
487.33307	6.3
503.11923	8.3
503.23965	1.3
505.33957	0.9
547.23773	24.7
547.30542	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	547.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15694	0.6
54.37664	0.6
59.01383	100.0
67.54305	0.6
71.21141	0.5
71.56975	0.6
80.53027	0.6
92.22458	1.2
101.28845	0.6
103.04455	0.6
188.80406	0.7
211.81004	0.7
239.87111	0.7
283.93030	0.7
294.96161	1.0
487.33762	1.0
547.36499	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	547.365
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	5.0
59.01383	100.0
64.67886	0.8
71.01355	1.0
72.22366	0.8
73.60567	0.8
85.75948	0.7
99.04503	4.5
101.02416	1.2
111.29538	0.8
125.02403	1.8
198.61620	0.9
211.13382	1.1
214.93848	0.9
253.09248	1.9
283.02383	9.7
284.03394	1.4
298.04800	7.3
299.05670	5.0
311.22385	6.3
321.25290	0.8
487.33698	4.4
503.12149	7.7
547.30273	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	548.229
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	18.0
71.01393	4.0
77.95548	3.3
82.02981	5.2
85.04087	6.9
87.05622	8.0
88.04047	5.6
96.96000	4.1
97.58304	3.4
101.02491	3.9
113.05984	3.8
117.12489	3.4
127.05101	4.7
128.03535	81.0
134.29536	3.5
152.08260	5.6
153.06689	4.2
157.06183	64.2
168.02972	17.4
174.02324	20.6
179.04655	5.9
196.07262	21.8
268.09329	4.0
286.10428	23.2
320.09189	100.0
398.71387	3.7
436.61551	4.0
449.05371	4.3
548.22308	66.9
574.06616	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	549.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.3
59.01383	0.6
61.15647	0.2
85.19979	0.3
86.28373	0.2
93.03450	2.9
96.96019	0.6
107.01383	0.6
109.02938	0.3
113.02446	0.3
121.02921	0.6
124.61299	0.3
135.00864	0.3
137.02438	5.9
151.00372	6.6
151.04025	0.4
160.01563	0.4
161.02475	1.1
163.00374	0.6
169.01460	0.4
175.03947	2.4
178.99870	5.4
193.05011	0.4
227.03453	0.5
232.67844	0.3
243.02950	2.3
245.04541	0.5
254.02229	1.4
255.02995	13.5
255.60954	0.3
271.02496	23.5
272.03238	1.8
273.03998	1.4
283.02466	1.4
300.02771	100.0
301.03546	21.6
321.26501	0.3
361.15225	0.7
463.08923	1.4
505.09949	75.9
549.15857	4.8
549.27820	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87299	0.5
57.03437	0.8
59.01372	1.3
69.00608	0.5
77.03925	0.8
88.31541	0.6
90.07965	0.7
99.04521	0.6
121.02946	100.0
125.91447	0.6
165.01923	25.9
175.17955	0.5
181.06599	2.3
184.49020	0.5
197.06027	1.4
207.04565	0.7
225.05583	1.4
234.65919	0.6
244.48508	0.5
248.57851	0.6
264.99957	0.6
285.09109	0.6
313.07452	0.6
360.08502	0.6
451.46704	0.7
462.19019	0.6
505.11880	1.0
549.10443	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	549.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07969	2.2
59.01383	10.0
71.01382	5.4
73.24595	2.0
75.00874	4.6
80.47762	1.9
84.56173	2.2
85.02956	9.0
85.86655	1.9
89.02464	3.4
93.03438	9.8
99.00887	10.3
113.02429	15.1
120.06291	2.0
128.03468	2.7
137.02441	62.7
168.04202	2.1
211.06149	5.1
249.06206	32.0
267.07248	25.0
386.17947	2.5
387.09338	18.3
428.63751	2.3
532.95544	2.6
539.13690	2.4
549.14673	100.0
549.23187	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	549.1618
Annotation	CHEBI:68134
Peak:m/z	Relative Intensity
51.87920	2.7
57.03450	100.0
59.01387	83.4
60.06990	2.7
71.01370	7.4
71.95113	3.0
77.87939	4.0
79.70023	2.8
85.02953	4.0
99.04511	97.7
101.02447	23.8
113.02461	3.8
125.02427	58.7
143.03505	6.4
161.04620	6.3
183.92810	3.4
244.92047	3.3
247.37379	3.2
265.18109	6.1
283.02396	5.1
283.19019	7.9
284.02939	4.2
285.03198	4.3
299.05359	4.9
300.05646	4.2
301.10870	5.6
301.20197	16.2
396.19907	4.8
405.12567	5.6
445.24521	7.0
447.13913	4.4
463.25674	22.7
505.12109	6.4
505.26486	43.3
549.16833	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	549.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95096	1.3
54.08313	1.1
55.33575	1.1
57.87931	1.4
59.01376	10.4
64.13190	1.3
65.36098	1.2
71.01379	2.7
89.02457	2.3
95.08090	1.5
96.96004	2.1
118.05103	9.7
119.04992	6.3
121.02969	2.4
130.06561	1.8
144.04553	2.1
163.03999	9.0
174.05598	2.0
211.14525	2.5
219.08456	1.5
241.05095	12.0
253.05151	3.6
255.06593	8.1
255.13481	3.2
256.07449	18.6
268.04132	2.3
268.07370	6.8
269.04611	2.8
271.09705	6.2
272.56100	1.7
273.14615	12.5
281.04318	2.2
282.05243	1.8
283.06155	3.6
283.09866	1.5
284.06824	3.4
285.03931	2.1
296.07098	10.9
297.04028	31.9
299.05588	8.3
300.06396	21.1
312.06430	41.8
314.07959	8.0
315.08798	83.5
327.08780	100.0
330.16586	1.9
345.09851	12.1
492.20273	1.8
549.14667	12.6
549.22986	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	549.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81902	1.8
54.46542	1.6
57.03453	100.0
59.01381	58.9
71.01376	10.2
81.03506	2.2
85.02927	3.7
89.02432	3.7
99.03896	3.8
99.04512	92.0
101.02446	28.6
113.02441	4.9
125.02434	56.0
143.03500	3.4
153.87920	2.9
165.12825	3.8
183.13931	41.4
231.57724	2.4
301.10764	10.1
405.12784	57.8
405.17728	5.9
405.25143	2.8
447.14059	16.1
447.26196	3.6
468.79828	2.6
489.32632	2.9
505.23761	17.0
549.15680	51.4
549.29266	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	549.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88384	0.6
59.01380	0.8
78.95904	29.4
78.96359	1.1
92.23089	1.5
99.92577	9.8
100.93365	8.7
102.12000	1.0
109.23685	0.8
110.98523	6.3
115.92051	11.2
116.92874	9.8
150.98003	1.6
154.94408	0.9
155.95148	1.2
158.14044	0.7
163.59955	0.8
164.90512	9.8
167.01118	1.0
178.88484	8.8
178.92139	0.7
179.89212	23.6
180.90015	9.2
181.90784	3.6
193.89072	1.6
193.90776	29.8
194.88060	0.7
194.91586	13.3
195.92358	1.3
196.89496	23.7
218.91498	0.8
219.92259	1.0
236.92667	1.7
249.93393	4.7
266.93845	0.9
270.54849	0.8
281.24887	6.5
381.17365	0.9
463.08554	0.8
467.93414	0.7
487.21475	1.0
505.22443	1.6
531.18079	1.6
549.19330	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	549.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	97.0
59.00428	1.4
59.01381	70.5
71.01376	7.0
73.02937	7.2
83.01379	2.6
86.36966	1.1
89.02454	11.5
99.04510	71.0
101.01855	2.1
101.02444	30.4
106.08475	1.4
113.02447	5.9
119.03520	5.6
123.04544	1.3
125.02437	27.5
135.59882	1.6
138.65750	1.2
143.03540	2.6
165.04219	1.3
264.55289	1.2
301.96063	1.3
303.14359	3.8
393.11157	1.4
405.17722	67.4
447.18765	15.3
549.22003	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	549.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40753	1.5
54.61366	1.5
57.03450	100.0
59.01133	3.2
59.01382	74.7
59.54367	1.7
64.43974	1.7
71.01379	4.8
77.26580	1.7
88.41304	2.4
89.02425	3.0
92.22517	4.2
99.04513	85.1
101.02428	35.4
109.89466	1.9
113.02447	8.3
114.08051	2.1
125.02441	40.2
143.03548	3.4
161.04601	3.0
163.54074	2.0
247.78723	2.1
261.13586	3.5
303.14514	4.0
317.94223	2.5
405.12592	21.1
405.17709	41.8
405.23346	2.7
405.24854	2.0
422.85159	2.3
447.13602	4.3
447.18976	9.6
549.22852	53.9
549.30133	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	549.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.7
59.01384	12.5
69.88737	0.8
70.35815	0.8
71.01383	1.5
74.02468	46.7
81.85690	0.8
99.04509	4.7
101.02431	1.0
113.02435	1.2
116.05057	9.3
118.06642	1.9
125.02470	1.5
128.05087	9.4
131.03752	3.8
136.91356	0.9
137.12201	0.9
144.04549	28.1
146.06125	17.5
153.10345	9.1
154.08737	1.2
159.09273	5.6
161.17487	0.9
167.11893	6.1
172.04051	2.1
185.13033	1.3
190.05139	5.6
203.08281	51.2
212.09300	1.5
229.11932	23.0
237.42487	1.0
284.03149	1.5
296.17755	2.1
297.16034	2.0
299.05383	1.4
300.05884	1.3
310.08835	1.2
314.18701	3.7
358.17752	34.9
489.34262	5.0
505.13089	1.4
549.23718	100.0
549.31024	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	549.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.6
58.00586	0.6
59.01382	47.0
70.14866	0.3
71.01379	25.3
73.02951	2.8
82.23123	0.4
83.01373	2.3
85.02948	5.1
87.00845	0.4
89.02435	36.9
95.01386	2.1
96.28199	0.4
97.02965	0.5
99.00839	0.7
101.02441	18.2
113.02439	12.0
119.03493	12.6
131.03450	0.5
137.09767	0.6
143.03485	1.4
161.04533	2.5
178.59258	0.3
179.05568	3.9
189.12755	0.4
246.05641	0.5
248.54865	0.4
266.48230	0.4
327.14688	0.4
369.19009	0.6
387.20276	2.0
549.25592	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	549.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	92.7
59.01382	80.1
59.01688	1.9
60.16628	0.9
61.98830	1.9
66.38151	1.0
71.01385	2.3
71.38551	1.0
81.03493	1.2
95.68074	1.0
99.04511	100.0
101.02433	22.1
113.02431	2.1
118.67872	1.4
125.02444	38.7
143.03490	5.1
161.04622	1.5
222.33626	1.4
273.68994	1.2
291.13455	1.2
358.51004	1.1
361.22321	2.5
447.58392	1.2
505.26660	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	549.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07985	1.4
57.03164	2.2
57.03450	68.5
59.01380	100.0
61.14650	1.0
63.42149	1.1
66.83967	1.1
71.01378	12.1
71.58268	1.4
73.02915	1.7
83.01357	1.3
85.02921	4.7
88.98811	1.6
89.02420	12.1
99.00842	1.6
99.04508	63.9
99.05164	2.3
101.02444	23.6
113.02432	6.9
116.92852	7.2
119.03490	5.5
125.02442	25.2
143.03534	2.9
157.04507	1.2
157.71588	1.6
161.04549	2.2
177.93555	1.3
178.67764	1.6
179.05585	7.5
213.66190	1.4
302.93729	1.3
361.22192	2.2
489.34406	40.8
505.26785	5.5
549.32611	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	549.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60152	1.0
57.03454	100.0
59.01384	84.9
59.13836	0.9
71.01376	4.9
73.02931	1.5
80.82372	1.1
81.03477	1.3
83.09772	1.2
85.02959	1.9
86.66277	1.2
89.02424	1.5
99.00866	1.4
99.04515	95.1
101.02445	26.3
113.02418	2.6
121.02961	1.9
125.02441	33.8
143.03505	6.0
149.65234	1.3
161.04539	2.5
260.57892	1.3
387.27603	1.4
405.28473	2.7
447.29462	2.3
489.01871	6.3
505.26434	6.7
525.50586	1.5
549.03479	2.1
549.33258	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	549.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	100.0
59.01382	83.4
65.45461	1.1
71.01365	2.4
73.02941	1.5
81.03457	1.2
85.02940	2.1
92.23022	2.2
94.28399	1.2
99.04512	97.7
101.02442	25.2
108.48960	1.3
113.02454	2.0
125.02438	42.1
143.03506	5.1
147.49838	1.2
150.13403	1.1
157.72446	1.2
161.04475	4.1
215.22156	1.1
329.82529	1.5
361.22244	2.2
405.28369	2.9
447.29578	5.5
489.01782	6.1
505.26358	7.8
549.32776	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	549.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15186	1.5
57.03454	100.0
59.01384	78.1
61.98840	2.5
71.51369	1.7
72.00773	1.7
73.51069	1.8
76.99939	2.3
81.03454	2.4
95.99921	1.9
99.04512	95.2
101.02443	23.8
125.02447	38.9
143.03493	3.2
182.41005	2.1
199.13365	4.1
232.71829	1.8
290.70493	2.2
320.00797	2.3
346.95325	2.1
349.77695	2.1
361.22522	2.6
505.26721	10.8
549.28253	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	549.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31679	3.9
67.91697	6.1
93.18600	5.5
194.76572	6.1
431.77161	6.1
549.28595	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39345	7.7
61.10330	9.3
61.17269	8.7
62.90089	8.8
104.62980	10.6
115.46275	9.2
183.31873	11.2
253.07144	10.9
277.21909	12.4
349.00778	10.5
549.28381	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	549.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	44.2
58.00549	0.4
58.71155	0.3
59.01380	100.0
61.98842	0.4
67.68502	0.4
71.01376	13.2
72.99297	0.8
73.02957	0.6
81.03470	0.7
82.40083	0.5
83.01365	0.4
85.02943	2.4
87.00858	0.8
88.98817	0.5
89.02431	21.9
95.01381	0.9
97.26054	0.5
99.04511	43.9
99.69543	0.4
101.02434	18.7
113.02442	8.2
116.92872	1.7
119.03490	8.2
125.02428	18.3
131.03537	0.4
143.03470	4.8
161.04521	4.1
179.05617	13.8
243.19699	1.9
339.22693	0.4
361.22137	1.6
386.33365	0.5
403.23468	0.7
405.28592	1.9
406.34177	0.5
447.29666	1.9
489.34363	38.5
505.26520	3.5
549.33258	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	549.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
95.95636	0.7
200.90796	0.7
298.11923	0.8
549.38116	18.5
567.70349	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14030	0.6
57.03449	5.0
59.01383	100.0
62.76431	0.7
64.21927	0.8
65.25687	0.6
74.31671	0.8
81.96078	0.7
85.55586	0.7
85.94358	0.7
99.04503	3.8
125.02454	1.7
140.33856	0.8
209.15248	0.7
405.24744	1.2
489.28204	1.7
489.35791	16.1
549.38153	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	549.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34969	0.5
57.03455	9.1
59.01383	100.0
63.38329	0.5
71.01377	2.5
73.02954	0.9
80.52835	0.6
83.01360	0.6
85.02936	1.1
89.02402	0.6
99.04514	8.8
101.02445	4.1
113.02456	0.8
115.52728	0.6
116.92827	0.9
125.02444	3.2
132.09981	0.6
161.04509	0.7
188.40096	0.7
240.50748	0.8
243.19643	3.8
248.52968	0.6
350.98389	0.6
365.86386	0.7
405.24890	4.1
447.29797	1.2
471.34894	3.9
489.27625	2.5
489.35663	23.3
549.30573	2.8
549.39349	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	551.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13500	0.4
71.38818	0.4
73.46107	0.4
74.98113	0.4
76.21232	0.5
79.98315	0.4
81.91005	0.4
93.03445	36.6
96.95982	0.7
105.55007	0.4
108.56111	0.4
137.02437	100.0
143.50475	0.4
148.29668	0.4
160.75992	0.5
167.58623	0.4
211.69926	0.5
388.32315	0.6
413.10907	11.7
431.12036	0.5
551.14093	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	551.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87915	0.7
61.81665	0.9
72.51916	0.9
72.99303	1.9
85.06602	1.5
96.95985	3.8
101.05425	2.2
101.06072	47.6
115.04007	13.3
124.16189	1.3
128.00450	1.1
129.05592	15.0
139.04991	1.0
145.05032	7.0
191.05620	100.0
269.41217	1.3
289.74951	1.0
551.12964	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	551.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14301	0.5
53.30274	0.5
57.67601	0.5
59.01372	2.7
71.01386	1.0
71.76102	0.7
73.02954	0.6
74.18938	0.6
85.02944	0.9
89.02428	1.3
101.02426	1.1
109.57980	0.6
126.58988	0.6
132.02206	1.2
133.02960	0.9
134.03745	14.9
149.06075	4.4
150.03214	23.9
160.01662	30.8
165.05560	83.1
175.04004	100.0
178.02814	0.9
179.03563	0.8
193.05077	21.6
205.08566	0.7
257.72372	0.6
307.64029	0.7
337.09351	36.7
359.15073	1.5
407.19257	6.3
551.17731	83.2
561.91272	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41354	1.5
53.11477	1.5
59.01376	3.4
71.01365	2.9
71.79549	1.7
76.95033	1.9
90.74294	2.1
96.95998	3.6
101.02435	2.8
111.69455	2.3
118.05027	2.0
121.02969	4.7
123.63347	2.0
134.03728	17.3
141.83365	1.9
149.06075	16.6
150.03198	23.4
151.00334	3.0
152.99353	2.4
164.04787	3.9
165.05573	100.0
167.01195	2.1
175.04077	17.1
176.04826	19.3
178.02777	15.5
180.04369	3.9
191.07173	34.0
193.05075	56.5
193.93918	2.2
195.06648	28.7
197.44101	2.1
235.06114	31.1
237.77585	2.3
253.04823	2.3
264.13547	2.5
282.09021	9.9
341.10327	20.4
383.11304	13.5
389.12482	65.0
394.21411	2.2
431.13470	28.9
461.14249	3.9
465.20679	2.7
491.15549	22.9
506.14987	2.2
507.22339	7.7
531.03387	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	551.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31144	1.9
57.90219	2.3
59.01386	2.4
63.69836	2.4
86.09566	2.6
86.27628	2.5
96.95996	3.6
101.02441	4.3
121.02939	10.3
124.99912	2.7
125.31792	2.5
134.03740	16.0
137.02478	3.8
145.93468	2.6
149.06067	12.9
149.48689	2.8
150.03214	34.9
151.03946	4.0
164.04823	4.7
165.05565	100.0
175.03992	17.9
176.04765	15.7
178.02740	14.5
180.04218	4.9
189.07671	3.5
191.07121	36.7
193.05086	74.9
195.06654	33.7
209.04671	5.4
235.06161	31.1
282.08994	18.0
295.07880	2.9
341.10336	17.8
383.11548	6.2
389.12537	76.6
431.13434	33.2
491.15701	27.3
551.18610	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	551.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
72.86114	0.5
79.67519	0.5
93.03478	0.6
93.93220	0.7
95.95116	0.5
117.03420	0.7
121.02960	3.0
134.03735	33.2
137.02409	4.4
139.04047	0.6
148.42206	0.6
149.02449	2.7
149.06082	23.5
150.03220	19.5
151.24973	0.5
164.04776	2.5
165.05560	62.9
178.02716	37.4
178.04312	0.9
180.04323	3.9
193.05064	100.0
195.06644	18.4
212.98442	0.5
266.61365	0.5
267.06815	0.8
280.51376	0.5
282.09033	4.3
287.98895	0.5
290.59384	0.6
297.11322	0.7
341.10315	7.5
347.25256	0.5
356.69431	0.5
389.12436	38.2
397.57486	0.6
419.74319	0.5
517.78265	0.5
551.17548	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	551.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.2
59.01381	3.4
71.01382	1.0
83.01389	0.8
85.02939	15.1
87.00864	8.0
87.04532	0.7
89.02431	2.7
99.00893	2.2
110.98467	0.7
111.00871	2.9
129.01080	1.0
129.01949	16.0
131.04614	0.6
141.01953	1.1
143.53069	0.6
153.12480	0.6
159.02948	6.0
191.02078	0.8
196.54631	0.6
209.06679	100.0
212.64838	0.7
303.98993	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.9
59.01369	2.8
59.20745	0.4
67.48116	0.4
71.01381	1.1
73.02924	0.8
78.95926	0.5
83.01383	0.8
85.02943	15.2
87.00858	7.6
89.02439	2.3
97.02936	0.5
99.00869	0.9
99.87032	0.4
101.02413	0.6
110.89901	0.5
110.98485	1.8
111.00872	2.0
129.01935	15.0
132.98238	0.5
141.01920	0.8
147.90071	0.5
159.02975	5.1
167.43591	0.5
178.20636	0.4
185.94341	0.4
209.06683	100.0
213.02852	0.6
341.10950	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74673	1.5
50.87627	1.2
51.25094	1.2
67.14449	1.4
70.62298	1.5
78.95900	24.9
88.53221	1.7
92.23161	1.7
96.96033	2.1
99.92581	7.0
100.93352	7.9
110.98508	10.1
115.92062	10.9
116.92845	8.5
164.90524	12.1
178.88416	10.6
179.89194	21.8
180.89989	9.7
193.90817	30.3
194.91602	15.6
196.89484	26.7
217.71826	1.9
236.92566	2.6
249.93463	2.4
255.97630	2.0
283.26443	6.7
438.57828	1.8
551.20941	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05454	2.5
57.03453	44.4
59.01384	86.5
67.20023	2.7
71.01378	13.3
80.76929	2.8
80.90792	2.9
85.02944	3.5
99.04505	71.8
101.02428	17.9
109.12597	3.3
113.02444	6.5
125.02458	49.8
143.03452	3.9
143.89703	2.8
155.71707	3.1
162.10178	3.0
164.85724	2.8
166.31757	2.9
271.86765	3.2
281.41608	3.1
350.60236	3.3
371.20584	5.4
413.21695	36.8
437.79858	3.5
471.25974	12.7
507.27661	4.4
515.24988	100.0
551.32330	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	551.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	100.0
59.01379	72.0
63.27857	1.6
71.01373	4.1
73.02932	2.1
75.35016	1.7
76.24776	1.7
77.21812	1.4
85.02954	3.8
87.09289	1.6
99.03898	3.2
99.04509	76.3
101.02423	29.8
112.43952	1.8
113.02413	3.8
117.95078	1.8
125.02448	22.7
143.03496	2.1
160.12050	1.8
161.04524	3.7
205.51424	1.8
263.14990	14.4
287.22174	3.4
298.46722	1.6
305.16101	8.4
398.54178	2.0
405.17871	2.5
407.14200	2.6
407.19199	60.8
449.20349	14.0
449.26520	1.7
532.64435	1.8
551.23486	93.9
551.30774	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	551.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	100.0
59.01382	76.4
60.99307	1.6
71.01373	6.1
71.60709	1.2
72.34550	1.1
73.02927	2.5
85.02930	3.0
87.00895	1.4
88.98801	18.7
89.88239	1.3
89.89771	1.3
92.22523	1.4
99.04519	74.4
101.02431	29.6
113.02414	3.0
125.02429	23.4
143.03488	2.4
159.02962	1.5
161.04538	8.4
185.97121	1.5
225.77434	1.4
234.26418	1.5
263.15027	20.2
299.05563	1.6
301.06049	2.9
305.15997	6.4
324.20810	1.6
407.19272	59.9
407.26511	8.6
449.20340	16.2
449.26938	2.3
507.12714	3.1
538.90887	1.4
551.23474	92.1
551.30518	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	551.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75397	1.0
51.25373	0.9
51.43241	0.9
57.03452	95.8
59.01383	79.4
65.46747	1.2
66.05898	1.2
72.97681	1.1
81.03426	1.8
99.04513	100.0
101.02444	20.4
112.04621	1.2
113.02440	2.8
125.02441	38.2
143.03497	6.5
161.04546	2.2
339.71960	1.4
363.20343	10.7
405.21460	9.2
507.24442	19.7
534.19635	1.3
537.74963	1.3
551.23932	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	551.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51950	1.1
57.03451	92.0
59.01381	94.4
67.00100	1.2
71.01391	1.7
81.03445	1.5
92.22446	3.2
97.82919	1.1
99.04514	100.0
101.02439	18.9
123.83280	1.2
125.02438	38.4
143.03528	8.5
158.50854	1.1
166.22162	1.5
166.65802	1.1
206.86775	1.2
245.17592	2.3
321.19324	1.8
349.06229	1.5
363.20273	13.0
405.21310	10.5
434.77280	1.4
507.24228	18.9
536.22894	1.2
551.23138	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	551.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	78.0
59.01384	97.9
71.01398	1.9
81.03484	2.2
87.87752	2.5
99.04511	100.0
101.02454	18.3
106.03287	2.0
125.02431	45.5
141.92044	1.9
143.03464	4.5
150.03264	2.2
163.55470	1.9
165.05492	2.5
235.48985	1.9
238.15479	2.0
244.02219	2.2
363.20239	12.3
405.21252	8.7
489.14999	2.2
494.71744	2.2
503.17111	2.5
507.24094	13.9
551.21716	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	551.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	100.0
58.40861	1.0
59.01384	90.4
63.66392	0.9
63.84710	1.0
64.75596	0.9
69.55157	1.1
71.01368	1.4
73.02947	1.4
81.03467	1.8
91.48684	1.2
99.04520	93.4
101.02445	19.3
113.02447	1.6
125.02444	41.3
131.17979	1.2
143.03485	6.4
152.66931	1.2
156.51845	1.1
183.13985	1.4
281.99869	1.2
321.19174	1.7
363.20313	9.6
405.21222	10.8
445.24197	1.4
463.25790	1.4
497.40033	1.2
499.76352	1.3
500.65643	1.2
507.24258	15.5
551.24084	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	551.272
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	12.5
59.01109	1.0
59.01380	18.7
64.95347	0.5
69.21656	0.6
70.70568	0.5
71.01044	0.7
71.01376	9.6
72.99294	2.7
73.02929	0.9
75.00865	8.0
76.73017	0.5
81.03455	0.7
81.33130	0.6
83.04992	0.7
85.02557	0.6
85.02943	9.6
87.00861	3.6
89.02422	1.2
95.01360	1.5
99.00883	5.8
99.03991	0.8
99.04514	12.3
101.02444	7.2
113.02441	11.5
125.02444	6.3
126.90433	1.0
129.01933	0.8
135.90590	0.7
157.01413	1.0
160.01707	1.1
167.79582	0.7
195.84245	0.7
217.32979	0.6
221.19090	17.6
239.20052	4.0
249.06177	6.7
265.15494	0.9
265.18109	17.5
267.07108	1.2
283.02444	0.7
283.16193	1.2
283.19141	23.7
298.04831	1.0
301.20233	36.3
337.09247	1.2
375.23981	0.9
389.25287	1.4
407.12354	0.8
407.26364	3.9
449.27438	1.1
505.33466	1.4
551.26984	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50594	24.6
56.61968	25.4
59.01391	39.3
70.38882	27.9
81.93764	28.6
129.43240	29.8
137.83470	26.7
151.89952	28.8
216.72160	29.4
262.10254	34.0
369.82800	34.2
514.24841	32.3
551.31433	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39888	39.9
56.76820	42.3
60.41139	44.3
61.98816	54.2
63.66835	48.7
95.10371	54.3
146.09189	50.3
162.29585	51.6
285.65927	58.6
509.86432	58.8
545.98053	58.8
551.32019	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	10.0
62.76906	0.3
71.01376	2.2
71.73267	0.3
73.02924	0.7
73.53333	0.3
77.60963	0.3
89.02433	4.2
101.02429	4.3
101.31644	0.4
102.67941	0.4
102.93736	0.3
113.02434	2.2
119.03513	0.7
140.27873	0.3
161.04585	2.7
179.05548	0.5
180.45258	0.4
229.54039	0.4
235.08223	2.2
242.61337	0.4
253.09297	13.2
255.23306	100.0
258.06815	0.4
481.59756	0.4
491.32269	10.3
513.13452	0.5
530.71118	0.4
568.97571	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	8.7
60.65080	0.6
60.88305	0.6
71.01373	1.0
72.08891	0.5
74.89545	0.6
77.50597	0.6
79.36726	0.6
81.87097	0.6
89.02448	1.5
97.93053	0.7
101.02428	2.6
113.02415	1.1
115.10803	0.7
119.03454	1.0
130.73854	0.6
161.04485	0.7
224.25163	0.6
235.08411	0.9
253.09265	8.8
255.23305	100.0
491.32303	8.4
498.46344	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09287	0.4
50.68552	0.5
51.88802	0.5
57.03452	4.5
59.01380	100.0
61.90192	0.6
61.98835	0.9
70.20143	0.6
71.01342	1.2
77.95517	0.4
84.61697	0.5
85.02948	1.1
87.04498	1.4
94.98051	0.7
99.04511	3.8
101.02431	2.9
113.02467	0.6
113.27531	0.6
125.02422	1.2
255.57527	0.7
304.04971	0.6
375.60126	0.7
397.30881	0.8
415.32120	3.9
473.32742	0.8
475.34500	0.7
489.35901	4.2
491.01556	1.2
491.37451	42.5
527.29840	0.6
551.39362	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	552.173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09518	4.1
51.07606	3.7
55.84359	4.3
57.03450	100.0
59.01374	82.6
61.98813	5.2
63.93273	3.7
71.01375	33.1
73.02935	19.0
78.53499	4.5
85.02934	5.6
89.02448	12.0
99.04508	92.0
101.02408	36.8
113.02459	24.7
119.03476	7.4
124.74242	4.6
125.02428	40.9
146.59941	4.9
163.51425	5.2
180.06735	5.7
304.11969	27.2
322.12988	22.2
346.12891	23.8
364.14127	75.7
367.19211	5.9
406.15079	30.2
466.27664	5.6
508.18005	33.6
508.28314	9.7
565.34857	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	552.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.8
59.01387	3.3
61.98834	100.0
75.67245	0.4
80.49376	0.5
89.88555	0.4
96.08322	0.5
99.04542	1.0
101.02437	0.5
117.14067	0.4
121.86527	0.4
125.02454	0.4
126.97738	0.6
136.07715	0.7
138.74777	0.5
154.90964	0.4
156.95395	0.4
195.70564	0.5
238.32484	0.5
243.07950	0.7
297.08920	0.6
492.35938	0.7
520.21387	1.6
552.19647	4.2
568.76593	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61897	0.3
59.01381	0.8
59.49554	0.4
67.34106	0.3
68.52557	0.3
71.01372	1.8
73.81752	0.3
85.02950	0.4
93.03448	30.3
101.02454	1.9
109.06617	0.6
113.02457	1.4
123.00869	0.4
124.01650	1.8
127.07645	32.4
137.02440	100.0
138.03217	0.4
139.04025	1.5
165.05595	0.6
167.03503	0.5
171.06622	14.4
175.79646	0.3
193.05092	1.2
381.17535	1.4
415.12378	1.4
553.15662	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	553.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.0
59.01386	9.1
71.01379	11.6
72.99289	1.5
73.02899	1.0
75.00879	8.2
85.02938	9.5
87.00861	4.9
89.02440	7.2
91.03996	1.2
94.90341	0.7
95.01375	3.4
96.95987	1.0
99.00881	6.3
101.02380	1.3
103.00345	1.6
109.05942	1.0
109.06579	15.3
113.02441	24.3
117.01932	1.3
127.07646	68.7
129.01918	0.9
131.03473	1.1
149.04594	8.7
150.03130	1.1
153.05551	5.3
157.01364	1.1
165.04132	1.1
165.05551	4.5
171.06612	5.5
175.02402	1.4
195.06602	0.9
199.13385	1.3
207.05293	0.9
230.39656	0.8
231.05003	1.5
245.10220	1.8
249.06215	15.2
267.07211	17.7
356.68188	0.7
359.13812	1.0
383.61041	0.9
421.07901	1.2
421.13516	31.1
464.03226	0.8
553.17706	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.1
71.01311	0.6
72.03864	0.5
93.03445	3.9
109.06603	3.1
117.19296	0.5
122.20091	0.5
127.07647	100.0
137.02446	16.8
139.04034	0.5
171.06631	57.0
218.50163	0.6
255.95084	0.6
391.13126	0.6
541.25580	0.5
553.15570	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	553.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
63.30479	1.2
68.61570	1.3
70.25073	1.4
71.33839	1.3
75.37544	1.3
79.95715	2.9
94.98075	100.0
105.12042	1.1
121.47633	1.4
174.60748	1.5
269.25766	1.5
358.08798	1.7
457.36987	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	554.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09332	0.7
56.51191	0.7
59.01373	0.9
61.98833	100.0
63.83541	0.7
65.25963	1.0
123.98623	0.8
178.20155	0.9
255.23308	3.9
256.23718	2.0
257.24026	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	554.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72421	0.4
58.90929	0.5
59.01382	11.3
61.51674	0.4
63.90009	0.4
73.93381	0.4
78.95902	6.1
94.48683	0.4
131.98630	0.4
132.70543	0.5
137.95764	0.5
142.42142	0.5
148.57617	0.4
152.99562	3.0
157.52922	0.5
168.04283	3.4
217.45399	0.5
224.06943	7.1
242.07922	1.7
255.23314	100.0
480.31024	74.1
480.38211	1.1
554.34875	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	554.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	9.8
62.70726	0.3
66.00970	0.3
69.61243	0.3
76.38387	0.3
78.95903	2.0
103.65388	0.4
110.79961	0.3
118.18301	0.3
127.24137	0.3
152.99576	0.7
164.24234	0.3
168.04283	1.2
217.00208	0.3
224.06934	0.6
242.07945	2.0
255.23318	100.0
278.97858	0.3
340.62982	0.3
404.22491	0.4
480.31027	48.1
554.34613	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	554.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33959	0.3
58.93877	0.3
72.55775	0.4
80.18321	0.4
83.05029	0.8
97.06573	3.0
100.68622	0.4
111.08148	9.4
125.09712	50.7
136.01468	0.4
139.11275	0.5
142.12341	0.9
152.10818	1.8
153.12849	14.7
169.08708	1.8
172.09781	7.7
172.11110	0.5
180.13957	0.6
186.11365	30.5
187.09694	0.4
197.11853	21.9
214.14500	20.8
215.12886	10.5
215.32939	0.5
216.08255	0.5
231.39102	0.4
278.21103	0.5
306.24536	0.6
322.20428	2.9
325.64767	0.4
330.15942	0.4
339.22934	19.0
349.24884	0.6
350.23404	2.2
364.24725	0.4
367.21439	0.7
367.26047	19.0
381.27563	3.9
394.83005	0.4
554.38171	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52984	0.6
57.03422	0.9
83.05012	1.0
111.08150	33.2
115.67583	0.6
121.61334	0.7
125.09715	9.9
128.10757	1.2
152.10776	1.1
158.08180	0.6
167.14407	13.7
172.09790	23.7
186.11359	7.4
193.61148	0.6
211.13405	23.6
214.95290	0.7
228.16029	20.3
229.14430	13.4
237.52414	0.7
245.32719	0.7
247.31116	0.6
307.20288	0.8
308.18750	2.7
325.21378	21.9
364.25250	2.6
367.25925	3.7
381.27570	12.7
554.38177	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29501	0.6
58.60084	0.6
97.06602	2.8
104.70785	0.6
111.08150	6.9
113.48843	0.8
125.09716	47.7
125.10638	1.6
142.12369	1.0
152.10779	1.1
153.12837	15.0
168.43100	0.7
169.08717	1.3
172.09819	5.9
174.86298	0.8
186.11360	31.3
197.11847	21.1
214.14528	22.0
215.12868	11.0
241.17575	0.8
306.24316	0.9
322.20224	2.9
339.22906	21.0
339.26773	1.3
349.25110	0.8
350.23267	1.8
367.26025	16.3
381.27524	3.4
554.38202	100.0
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	Unknow
Peak:m/z	Relative Intensity
56.44142	7.2
59.01381	100.0
71.01382	8.2
108.13028	7.7
141.20866	8.6
151.03995	14.1
160.93584	8.2
165.05524	14.6
196.17403	9.2
351.21857	11.0
415.11581	11.5
482.66943	9.2
495.51593	9.6
507.20056	15.4
551.88007	9.6
555.15540	78.6
555.32550	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	555.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	2.0
59.01381	5.8
60.33615	0.9
61.98838	1.8
62.94492	0.9
66.18807	0.9
71.01370	2.3
73.02931	1.3
74.45185	0.9
94.98100	1.2
96.96001	100.0
99.04501	1.9
101.02444	1.7
107.51990	1.0
113.02427	1.3
114.91724	1.1
119.24223	1.1
122.03715	2.4
128.84796	1.3
133.02966	1.8
147.04558	1.4
149.02432	5.9
150.03221	41.7
152.99588	1.7
160.05347	4.1
161.06093	1.5
163.04027	1.3
164.04802	5.7
165.05565	76.3
171.10252	6.2
175.01396	1.2
175.07675	8.8
177.05582	1.5
178.06319	2.6
180.04271	5.8
195.06654	29.5
211.13353	1.4
217.83824	1.0
274.46704	1.0
323.94934	1.1
329.13977	19.2
447.17688	1.5
477.19220	14.0
507.20160	2.3
525.21271	33.5
555.14264	1.4
555.25024	9.2
555.35388	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	555.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58735	1.3
57.03453	47.6
59.01102	2.3
59.01385	50.4
69.27489	1.2
71.01378	36.4
73.02955	11.5
83.01375	2.1
83.05022	2.5
85.02957	13.7
89.02443	22.8
95.01382	3.7
96.95959	1.7
97.06615	2.1
99.00861	3.1
99.04514	45.1
101.02437	34.1
107.94902	1.4
113.02456	28.6
116.92835	2.1
119.03524	5.5
125.02437	27.1
143.03471	3.5
145.08775	2.8
151.07626	2.2
151.13673	1.7
152.07260	2.3
152.08406	17.5
152.99588	3.3
153.09193	15.8
161.04567	16.3
165.09151	3.3
171.10243	3.6
187.11273	3.7
205.12140	1.8
211.13434	8.1
229.14436	6.9
231.13936	31.2
239.16440	3.2
249.15050	17.1
327.21970	5.6
393.19312	28.4
411.20282	83.5
417.76962	1.8
453.21112	20.0
511.24811	2.4
555.24847	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	63.0
59.01381	74.2
69.94008	0.7
71.01385	5.9
73.02940	6.9
81.03461	1.6
83.01385	0.8
85.02952	1.7
89.02468	2.8
93.85689	0.7
95.34391	0.8
96.69276	0.7
99.04507	100.0
101.02431	22.0
113.02422	5.4
119.54083	0.8
125.02426	53.6
137.09795	1.0
143.03508	11.4
161.04611	1.8
193.94920	0.9
203.05659	4.3
218.63664	0.8
244.54756	0.7
281.53232	0.8
282.60324	0.9
330.75662	0.8
369.27612	0.8
411.20425	1.6
452.18549	0.9
453.21420	4.6
511.25598	4.0
555.24823	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	555.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18874	0.6
57.03448	58.6
59.01378	75.0
59.44286	0.6
61.59705	0.6
65.39561	0.7
71.01386	5.4
73.02935	8.0
81.03442	1.5
83.01364	0.9
85.02926	0.9
89.02444	1.5
94.75381	0.7
99.04507	100.0
101.02432	20.8
113.02421	4.7
119.03525	0.9
125.02425	48.6
131.03494	0.8
137.09711	0.9
143.03470	8.8
161.04535	4.4
166.25706	0.7
203.05624	5.9
263.07809	1.3
295.43860	0.7
411.20313	1.7
453.21237	3.5
472.69083	0.8
511.25415	2.9
555.24451	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	555.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	93.6
59.01379	70.2
61.98829	1.8
71.01378	1.8
75.31411	1.0
81.03463	1.3
85.02929	1.4
96.96003	1.4
99.04509	100.0
100.37732	1.2
101.02441	17.0
114.99705	1.1
121.02947	50.3
125.02431	50.9
143.03520	6.9
153.72771	1.1
176.65759	1.1
194.68922	1.0
352.43878	1.2
411.20099	4.4
453.21295	7.0
473.99008	1.1
555.12109	2.2
555.23859	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	555.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.3
65.84857	0.9
66.41962	1.0
71.01411	1.1
72.73927	1.1
78.95898	4.0
83.05028	4.4
100.59897	0.9
114.58299	0.9
117.26609	0.8
125.06106	1.0
129.09203	9.7
133.05045	5.9
133.59412	1.0
141.09200	2.1
151.11443	1.0
152.99594	8.6
156.25121	0.9
163.11298	4.4
165.12881	1.7
171.00670	1.8
171.10287	1.0
185.11810	19.4
197.11847	20.4
199.01524	0.9
209.11845	72.9
243.95576	1.2
245.04327	1.6
291.19879	3.2
309.20761	3.5
327.21771	9.6
555.25787	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	555.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	3.4
61.98835	0.8
74.02484	0.8
78.95908	10.6
83.05019	4.5
104.31654	0.9
105.57759	0.8
109.98763	0.7
118.05123	0.9
126.80499	0.8
129.09212	6.7
137.29688	0.9
141.09177	1.6
149.96278	1.0
152.99586	33.7
156.86792	0.8
159.92401	0.9
163.11285	2.9
165.12914	1.5
171.00627	4.8
171.10254	1.5
173.53835	0.9
183.48550	0.9
185.11861	16.5
191.10858	1.3
197.11853	20.1
209.11856	71.7
227.03271	1.7
227.12836	0.9
245.04260	1.1
291.19745	1.8
309.21085	1.0
327.21817	5.7
380.24036	0.9
555.25800	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	555.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72108	1.5
59.01382	38.0
61.98845	1.8
71.01380	19.7
73.02964	3.7
83.01383	3.1
85.02956	10.0
89.02427	18.5
99.00902	2.2
99.63990	1.6
101.02435	25.7
101.85475	1.6
104.90430	1.5
106.65549	1.8
113.02453	13.1
119.03497	7.5
161.04530	2.0
181.05020	1.9
351.21835	11.6
375.20288	36.3
555.26782	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07704	0.5
66.75848	0.5
99.92590	3.2
100.93356	68.5
115.92069	100.0
116.92872	0.9
196.31268	0.7
220.22363	0.6
245.12770	0.6
375.52560	0.7
455.35284	3.1
555.27905	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	555.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39729	0.3
58.76065	0.3
66.87965	0.3
70.33570	0.3
72.82407	0.3
81.41005	0.3
84.74567	0.3
85.03728	0.3
99.92621	1.5
100.92842	1.2
100.93358	55.5
115.92070	100.0
116.92851	0.9
132.92368	0.8
194.53630	0.4
226.22910	0.4
238.02202	0.4
455.35446	4.8
555.27917	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	555.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03519	0.5
59.01380	0.8
60.82034	0.5
68.94039	0.7
71.01377	2.3
78.98591	3.0
79.95744	2.5
80.96513	32.4
85.02937	1.4
87.00880	0.9
93.69522	0.6
94.98084	9.6
101.02453	3.6
106.98090	0.9
122.97575	3.8
125.02451	4.0
125.09692	1.0
127.03958	0.5
134.49744	0.5
134.97562	3.4
136.99123	1.4
146.37517	0.6
148.99152	5.3
152.98604	8.0
152.99477	0.5
164.98613	14.0
167.00159	0.7
182.99681	2.9
206.99678	3.2
225.00771	26.6
232.08282	0.7
243.01732	2.4
255.23412	4.1
299.04388	3.9
460.88083	0.6
487.44913	0.7
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	555.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57325	0.4
51.92476	0.4
61.76266	0.4
71.01378	4.5
73.02936	0.6
78.98592	3.6
79.95738	3.0
80.96510	36.0
81.03455	0.8
85.02931	1.8
87.00858	2.1
91.04169	0.4
94.98081	10.2
97.02908	0.9
101.02435	3.0
106.98081	1.9
117.16587	0.5
122.74926	0.5
122.97557	2.3
125.02461	4.3
128.93031	0.5
134.97566	4.0
136.99124	2.0
148.99117	5.4
150.89404	0.5
152.98640	7.4
164.98621	15.8
206.99715	3.6
216.35483	0.5
221.84366	0.5
222.12323	0.5
225.00766	23.2
255.23349	3.4
299.04361	5.1
367.07837	0.6
489.53976	0.5
496.00745	0.5
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	555.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65784	0.3
55.79394	0.3
56.19379	0.4
59.01377	1.7
68.84995	0.3
70.69240	0.4
71.01376	3.4
73.02938	0.8
78.98582	3.2
79.95735	2.5
80.96512	37.5
81.03462	0.6
85.02934	2.5
87.00859	2.1
94.98069	10.4
97.02938	0.9
99.00903	0.4
101.02435	1.9
106.98085	2.6
122.97568	1.8
125.02451	4.0
127.03996	0.7
134.96674	0.5
134.97546	3.4
136.99118	2.3
137.89296	0.4
148.99136	5.9
151.07556	0.4
152.98639	6.3
164.98616	13.5
167.00195	0.8
188.98557	0.4
206.99681	3.4
225.00743	25.1
255.23238	3.1
299.04419	4.4
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	555.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88803	0.3
59.01382	100.0
69.42820	0.3
204.36024	0.3
219.46875	0.4
227.20232	1.7
277.21759	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	555.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04259	0.4
51.11414	0.3
52.66890	0.3
58.96319	0.3
59.01382	100.0
83.09544	0.4
130.11237	0.5
172.81168	0.4
235.85396	0.4
237.96686	0.4
276.51099	0.4
277.21762	5.8
340.24091	0.5
555.35669	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44514	1.0
52.77296	1.0
56.57320	1.4
60.81045	1.1
66.21906	1.2
71.05006	2.4
79.57549	1.2
99.00873	14.0
125.09708	8.7
135.64941	1.2
163.11272	11.2
181.12341	25.7
199.13371	11.5
207.10260	30.9
224.37187	1.3
225.11324	54.0
243.12318	18.2
255.23303	63.8
255.26016	2.2
275.90823	1.4
299.15131	2.3
315.66470	1.4
317.16119	7.0
555.39075	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98137	1.8
57.03440	1.9
59.01385	5.3
59.76382	2.2
61.98833	2.4
63.63237	2.2
83.28011	2.6
99.04547	3.1
100.33073	2.2
128.39149	2.3
149.08569	2.5
171.02869	2.4
208.54524	2.2
253.09285	11.6
277.21729	100.0
277.23993	3.6
513.30737	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	556.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.6
61.98821	1.3
71.01400	1.4
77.39542	1.1
87.83961	1.0
89.02414	2.4
100.88943	1.0
101.02452	1.6
105.49337	1.0
130.68489	1.1
140.90468	1.0
193.55051	1.1
236.92574	1.1
253.09276	13.4
277.21744	100.0
284.74173	1.1
439.60895	1.3
513.31158	8.3
528.02216	1.2
530.05469	1.2
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
50.91973	0.3
58.39087	0.3
60.11838	0.3
66.91342	0.3
84.32115	0.3
92.64263	0.3
111.08131	2.2
122.02380	0.3
124.86302	0.3
142.12373	1.3
153.12836	7.3
170.11842	7.4
170.15472	0.6
172.09792	9.1
175.00624	0.3
176.85156	0.3
186.11278	0.5
196.13499	0.7
197.10001	0.5
197.11835	14.9
213.68990	0.3
214.14505	100.0
215.12906	5.5
367.25955	0.7
369.58130	0.3
385.27100	6.2
556.39502	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	96.6
59.01382	88.1
63.93361	0.9
68.52558	1.0
71.01384	8.5
71.05540	1.0
73.02940	2.7
83.01353	2.0
85.02933	2.6
89.02478	1.5
99.00828	1.3
99.04510	82.6
101.01788	1.1
101.02436	28.5
113.02408	5.6
116.92867	1.2
125.01557	1.2
125.02444	26.2
143.03488	4.6
159.02913	1.4
161.04543	13.3
164.62830	1.1
175.03981	1.7
230.61517	1.1
269.10400	11.8
281.84863	1.4
311.11322	8.6
351.14725	2.0
413.14563	79.9
455.15610	15.8
557.18774	100.0
557.31329	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	557.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	4.4
59.01155	0.5
59.01386	10.1
61.02941	3.1
71.01373	2.6
82.59423	0.6
85.02939	1.3
87.49483	0.6
89.02433	2.7
92.22401	0.9
95.87978	0.5
99.04521	6.3
101.02444	5.9
113.02437	1.6
117.03451	4.4
125.02450	2.9
126.31357	0.5
127.45884	0.6
128.97749	0.7
133.01408	3.3
133.05069	10.1
134.03741	86.2
143.03491	0.9
149.06084	14.5
160.01663	9.6
161.04500	0.7
175.02573	1.4
175.03992	19.2
193.05072	100.0
249.13367	3.5
257.15079	0.7
270.58035	0.6
381.17889	0.7
401.12497	0.8
442.91559	0.8
557.22388	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	557.2412
Annotation	Ananolignan J
Peak:m/z	Relative Intensity
52.79135	0.7
54.14513	0.6
55.51365	0.7
56.12952	0.7
56.18073	0.6
60.06673	0.7
72.00905	1.9
74.02471	27.3
79.06055	0.9
79.49004	0.8
91.48829	0.8
98.02469	1.4
109.06565	5.3
116.05058	20.0
118.76598	0.7
121.18501	0.8
122.09788	2.7
142.06622	3.5
148.07706	1.1
159.09256	8.3
165.10310	1.2
166.08701	1.8
170.08197	1.0
186.05573	1.5
192.06670	3.7
203.08279	66.6
223.10880	4.3
235.11011	0.9
267.09888	1.4
308.17786	4.2
352.16635	1.0
384.69046	0.9
428.18289	1.1
522.31708	0.9
557.24133	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50181	0.6
56.99806	0.6
62.59015	0.7
71.31413	0.7
72.00896	6.5
74.02470	19.9
74.02894	1.0
85.93015	0.8
98.01788	0.7
98.02434	0.8
109.06574	6.4
116.05051	27.7
130.06615	0.6
140.03543	0.9
142.06636	6.3
148.07680	2.8
159.09270	13.4
164.07216	1.0
166.08710	1.2
169.67043	0.8
179.11903	0.8
181.17245	0.7
186.05612	1.7
192.06758	5.3
203.08279	95.0
223.10858	1.4
224.09212	1.1
308.17657	1.0
353.14932	0.8
492.30576	0.7
515.85425	0.7
557.24127	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	52.4
59.01382	86.2
71.01384	2.2
76.37889	0.8
81.03445	1.1
85.02962	1.0
88.04536	0.8
93.27320	0.9
99.04513	100.0
101.02434	12.6
113.02469	1.5
125.02438	45.7
133.05405	0.9
134.57141	1.0
143.03490	7.3
162.07101	0.9
166.12341	1.0
209.15424	1.2
347.13666	0.9
371.20728	1.2
395.20691	1.8
401.45071	1.0
413.21936	7.1
455.22955	15.2
513.27173	7.5
520.97992	1.0
557.26050	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	557.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20298	1.3
57.03449	56.4
59.01384	97.4
71.01366	2.7
76.99792	1.4
88.49512	1.4
92.22487	2.2
99.04512	100.0
99.05167	3.2
101.02439	16.6
102.02810	1.7
107.39700	1.4
113.02436	3.2
125.02431	47.1
125.28474	1.4
129.29576	1.4
134.50366	1.6
143.03499	8.7
147.93582	1.7
329.23199	2.9
331.16153	2.0
335.37799	1.8
387.14038	1.5
413.21924	10.4
455.22836	14.3
513.27533	3.1
557.19305	2.9
557.27032	16.4
570.22742	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	557.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	3.4
57.10546	0.6
59.01377	10.8
60.84992	0.8
69.03452	0.8
71.01385	8.8
72.99319	1.1
73.02933	1.1
75.00872	9.2
85.02941	15.7
87.00874	3.4
89.02421	4.0
95.01378	1.9
97.06622	1.0
99.00880	7.1
101.02421	0.8
113.02443	16.3
115.00369	1.1
116.05040	1.2
125.09703	2.0
160.25905	0.9
185.11862	1.8
191.14519	1.2
198.38383	0.9
203.08206	1.8
204.38231	0.8
205.06885	0.9
209.11888	4.8
210.02290	1.0
245.19153	1.9
267.03180	0.8
267.07129	3.5
288.26721	0.8
289.18057	3.7
307.19183	1.2
316.67368	1.0
557.26111	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	557.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66403	0.8
52.81765	0.6
56.26167	0.7
59.01374	1.6
75.00874	3.1
89.25569	0.8
98.23582	0.8
109.06573	4.4
127.07643	100.0
128.28407	0.8
162.20796	0.8
169.44029	0.8
171.06628	65.2
185.63547	0.9
315.07291	1.0
358.17383	0.9
557.18878	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35271	0.7
71.89527	0.8
78.60649	0.7
78.95900	8.9
93.48432	0.9
99.08142	4.1
102.12300	0.8
118.05078	1.4
121.67220	0.8
125.09743	0.8
127.11236	0.9
139.11244	1.4
152.99586	31.7
171.00597	3.9
171.10249	7.3
175.08398	1.7
183.13875	5.8
193.12375	1.5
195.46745	0.8
211.13416	46.3
227.03220	1.2
229.14482	25.5
240.31577	0.9
245.04359	1.5
290.62073	0.8
293.21179	1.2
311.22064	1.1
329.23352	29.1
557.27307	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	557.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.6
59.01365	2.6
66.07513	0.5
69.87057	0.6
71.01376	0.6
78.95905	8.9
99.04505	1.3
99.08119	3.2
101.02432	0.6
127.11272	1.9
152.99586	30.7
160.97659	0.6
167.14366	1.1
171.00626	4.4
171.10242	3.0
175.03986	2.3
183.13914	5.5
193.12268	2.1
197.11958	0.8
199.13354	0.7
209.11710	0.8
211.13422	45.2
227.03212	2.7
229.14471	32.4
293.21249	2.0
311.22272	1.2
329.19583	1.1
329.23370	29.8
388.00967	0.6
521.33142	2.4
557.27216	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	557.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37946	0.5
83.72675	0.5
99.92561	3.1
100.93353	59.1
115.92062	100.0
116.92844	0.7
127.44643	0.5
132.92377	0.7
294.86816	0.6
365.18423	0.6
371.84756	0.6
457.37057	2.4
475.39316	0.6
537.93640	0.6
557.29449	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	557.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47673	0.9
57.03450	4.5
59.01383	8.1
61.52182	1.0
61.98826	1.0
71.01347	1.1
78.95896	9.4
81.23479	1.3
96.96910	1.1
99.04505	6.1
99.08145	2.8
101.02408	1.7
127.11327	2.3
128.30421	1.3
152.99579	36.4
171.00627	2.1
171.10286	1.9
183.13943	8.1
204.93196	1.1
209.11815	1.4
211.13420	54.4
227.03258	2.0
229.14455	30.4
231.64070	1.2
232.53290	1.4
293.21378	1.4
302.24475	1.2
311.22388	1.7
329.23407	36.0
338.35110	1.3
521.33154	10.9
557.28400	100.0
564.56360	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	557.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.3
58.28471	0.9
59.01384	7.2
60.09405	0.8
62.19902	0.8
67.68407	0.9
71.01366	1.3
71.31538	1.1
73.02936	1.7
85.02953	1.2
92.22589	1.1
95.56651	1.0
99.04521	4.2
101.02409	2.2
108.13638	1.0
113.02522	0.9
119.05047	2.3
125.02474	1.4
134.03749	4.4
138.99623	1.0
149.06119	1.5
158.19611	1.0
163.03984	7.6
168.56099	1.0
175.03995	6.1
193.05014	2.1
239.60521	0.9
304.89597	1.1
368.92749	1.1
388.03098	1.2
521.33423	11.3
529.15063	1.1
557.18048	2.9
557.22327	7.2
557.31036	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	557.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19809	11.8
62.80143	12.2
64.86163	13.4
72.47855	14.1
78.96039	11.9
80.96513	100.0
80.99635	12.5
87.04341	12.4
92.23087	17.4
208.08209	18.3
306.54800	14.4
336.52475	15.0
361.13376	34.0
400.09232	16.3
448.00452	17.1
455.97037	16.2
503.21182	33.7
557.31519	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	558.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73549	0.5
57.03456	1.5
59.01387	4.2
66.05492	0.6
69.03436	0.9
71.01379	9.2
75.00868	12.0
85.02950	5.9
87.00853	5.7
88.04017	1.5
89.02454	1.8
96.95991	1.0
99.00874	16.4
101.02442	0.7
101.42780	0.8
111.00869	0.9
113.02495	1.1
119.05022	11.9
129.01936	22.8
129.27661	0.7
130.08751	13.9
131.03560	0.9
141.02016	1.2
145.02989	3.2
159.02954	5.1
161.06123	1.3
163.04010	38.6
172.09793	11.1
177.04057	15.8
195.05112	55.5
205.05106	3.2
212.51122	0.7
236.08463	0.8
307.82602	0.8
341.08804	100.0
526.18469	0.8
540.28967	1.5
558.17572	0.8
558.29401	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.0
67.04414	0.5
78.95905	100.0
96.96957	17.3
102.05606	0.6
118.05106	0.6
124.69464	0.5
128.03528	0.7
168.02492	0.5
240.02850	4.3
282.03867	51.2
329.20941	0.5
372.26477	0.5
384.66187	0.5
558.23212	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	558.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33723	0.9
55.60008	1.1
61.08252	1.3
68.96383	1.0
69.27438	0.9
74.02469	1.6
78.95906	10.8
82.66477	1.0
87.05659	1.8
110.48943	1.4
112.04024	1.8
116.07191	8.0
128.03537	100.0
129.06714	12.8
139.11285	1.3
142.78888	1.3
144.07806	2.2
166.08788	2.4
168.07838	1.5
183.11404	29.2
186.08881	2.5
187.07254	10.8
227.10382	36.7
267.14801	1.7
282.04031	5.2
286.14395	1.4
453.06467	1.5
459.32648	1.3
514.25342	15.4
540.26764	1.5
558.28198	96.9
574.31586	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	558.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68409	1.4
54.55227	1.5
58.26530	1.4
59.01366	1.8
61.98850	1.7
62.88656	1.4
65.91611	1.4
69.47709	1.7
75.13079	1.4
83.60215	1.6
89.57832	1.7
103.67396	1.7
116.92889	2.5
123.27168	1.9
253.05186	2.1
253.09294	13.4
264.15067	1.7
279.23306	100.0
472.69495	1.9
473.76694	2.0
515.32379	6.4
545.20435	1.9
557.28894	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	558.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39070	1.0
59.01376	2.6
61.73900	1.2
61.98816	1.5
88.53360	1.2
89.02441	2.1
101.02415	1.4
226.53036	1.3
253.09300	9.4
279.23300	100.0
353.10696	1.2
474.87418	1.2
515.32074	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	558.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30304	0.4
53.05106	0.3
59.01383	4.2
60.01726	0.6
61.01798	0.6
61.98833	100.0
80.83400	0.3
138.15544	0.4
168.89851	0.4
361.37396	0.5
442.01544	0.5
444.85461	0.4
496.07455	0.5
505.73169	0.4
560.05951	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98805	0.3
62.49822	0.3
76.81750	0.4
78.95902	4.6
79.95737	0.7
90.21944	0.3
96.96007	100.0
96.96918	10.2
128.03534	0.4
156.51849	0.3
167.03493	0.8
187.10876	1.8
217.11957	1.5
231.25693	0.4
281.29086	0.4
371.05087	0.4
461.12979	1.6
559.10883	0.5
559.28693	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	99.7
59.01099	2.7
59.01381	58.9
67.73750	1.4
69.72041	1.3
71.01377	24.3
73.02942	10.5
83.01392	2.4
85.02943	2.6
89.02431	9.3
99.00890	1.8
99.04514	100.0
101.02431	38.3
113.02449	16.6
116.64335	1.4
119.03457	3.5
120.14577	1.5
125.02441	59.4
127.86176	1.5
134.03699	6.7
143.03491	6.6
149.06075	23.4
159.05322	1.4
161.04555	2.5
164.98630	1.7
218.28667	1.6
225.00693	2.4
311.11554	13.1
353.08224	2.8
353.12460	52.5
355.47165	1.4
371.13519	19.7
413.14578	13.9
452.54349	1.6
453.17587	1.8
496.50650	1.5
515.17889	11.7
533.40112	1.5
559.21191	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	559.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04222	0.3
52.83947	0.4
55.55170	0.3
57.10096	0.3
59.01377	4.7
61.57987	0.4
66.61550	0.4
71.01373	3.5
73.02943	1.8
73.48625	0.3
87.00894	0.4
89.02444	2.4
96.95992	0.8
99.00884	4.6
101.02443	2.4
113.02442	3.4
131.03485	0.4
146.03740	24.1
147.04480	0.4
155.21422	0.4
161.04721	0.9
161.06073	18.9
164.04787	21.5
165.05562	2.6
179.07140	100.0
216.12416	0.9
217.12735	0.9
297.98795	0.4
473.16711	5.7
515.17755	55.1
559.17072	0.4
559.27820	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49165	1.4
52.51466	1.5
55.60261	1.5
57.03452	100.0
59.01385	47.0
61.98845	2.0
62.36965	1.5
65.10606	1.8
69.03461	1.9
71.01385	11.0
73.02932	13.5
77.07198	1.9
81.03474	2.5
83.01356	2.0
85.02952	3.2
87.00843	2.8
89.02431	3.2
99.00844	2.3
99.04510	79.6
101.02436	29.4
113.02432	3.9
117.39984	1.9
125.02429	55.9
126.93224	2.1
136.58305	1.7
140.62129	1.7
143.03415	4.3
167.10762	83.5
185.24707	2.2
191.10759	3.7
203.05576	2.0
209.11916	3.5
214.67395	2.2
223.17038	23.8
293.21179	4.5
311.22263	20.6
456.38300	2.0
473.27441	12.2
515.21741	5.2
515.28674	72.2
559.28314	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	559.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	41.0
59.01384	55.3
71.01379	32.3
72.02060	1.5
73.02948	11.1
79.28878	1.4
85.02981	5.2
89.02442	100.0
99.00876	21.1
99.04504	28.3
101.02434	38.4
101.03074	1.9
103.52905	1.7
113.02444	11.3
119.03493	6.2
125.02450	24.7
131.03497	12.1
138.86064	1.4
139.94749	1.6
143.03519	3.5
149.04552	32.1
152.01175	1.7
161.04500	2.2
191.05679	10.5
240.82813	1.7
253.73953	1.7
386.64114	1.7
397.14978	11.7
415.16125	65.3
457.17395	15.7
515.20758	2.3
559.20398	98.7
559.28601	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	559.2203
Annotation	Labriformidin
Peak:m/z	Relative Intensity
62.81250	0.6
64.46586	0.5
72.00895	1.1
74.02467	16.4
74.03572	1.2
86.02462	3.3
88.57497	0.6
91.39534	0.5
92.05031	0.6
100.00359	1.5
101.47816	0.6
109.06549	4.2
116.05045	8.5
116.81691	0.6
118.05104	6.8
122.09751	2.8
128.84959	0.6
130.06587	0.7
131.03722	4.3
132.04546	12.3
134.09772	0.6
142.06596	3.3
144.04532	3.1
148.07704	1.1
152.07164	4.0
157.07726	11.1
158.06079	4.3
159.09241	3.9
166.08727	13.5
166.82146	0.7
175.08586	13.1
178.08768	0.7
178.82138	0.6
184.04095	0.8
186.05644	1.3
201.06693	1.5
203.08279	44.6
210.07722	3.7
211.64427	0.8
219.07758	14.1
324.71716	0.7
339.13495	3.0
357.47430	0.8
378.92270	0.7
386.17087	0.9
425.00366	0.8
501.61224	0.7
501.95276	0.7
541.20746	2.4
559.21997	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90727	0.6
52.15868	0.7
58.02978	0.7
59.01380	3.0
62.41862	0.6
66.68866	0.6
69.99239	0.7
71.01355	0.9
72.00896	3.0
72.43369	0.6
73.45443	0.6
74.02470	17.2
74.03580	3.3
74.38622	0.7
86.02467	4.7
87.08580	0.6
88.39320	0.8
92.05013	1.1
92.86341	0.7
97.71556	0.6
97.97247	0.6
98.02451	0.7
99.00871	1.1
99.04446	0.7
100.00401	1.5
105.79304	0.7
109.06554	4.6
116.04395	0.8
116.05066	14.9
118.05105	7.1
122.09727	4.0
128.31465	0.7
131.03743	1.7
131.36720	0.7
132.04546	14.9
134.09734	1.7
135.08089	0.7
137.06039	0.9
142.06599	4.3
144.04544	4.0
148.07677	0.9
152.07108	1.5
157.07707	8.7
158.06056	2.8
159.09282	8.0
166.08734	7.5
171.10280	0.9
175.08412	8.7
178.08728	0.9
185.11847	6.3
186.05682	1.4
201.06677	1.1
203.08282	70.7
210.07767	2.7
219.07756	15.0
267.15097	1.2
295.14752	0.9
309.15570	0.7
339.13419	4.1
355.12943	1.0
430.22571	0.9
499.29059	1.7
507.08289	1.0
541.20569	5.6
559.21887	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66610	0.6
54.48767	0.6
56.71294	0.6
60.16270	0.6
67.58833	0.7
73.04054	1.3
74.56828	0.7
87.05257	0.6
92.29044	0.7
92.47192	0.7
95.75246	0.7
96.96012	21.1
96.96646	0.9
96.96950	1.5
97.72096	0.7
99.12754	0.7
128.96773	0.7
130.08736	25.4
143.11902	6.9
187.10890	79.4
196.18129	0.7
199.10905	1.0
217.11945	100.0
298.25314	0.9
559.23578	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	559.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56100	0.6
74.02087	1.0
74.02472	22.5
76.40497	0.8
111.08143	3.0
113.03581	4.6
116.05061	10.6
125.03587	1.5
138.26939	0.8
139.37173	0.9
142.06598	1.2
148.04395	0.7
153.97969	0.7
158.48465	0.7
159.09267	3.8
167.11877	3.7
168.10342	1.1
172.09798	11.9
181.13501	1.6
194.08260	3.8
203.06497	1.5
203.08295	28.4
204.08629	0.8
207.11435	1.3
212.09422	0.7
225.12466	9.7
231.97946	0.8
237.12491	1.1
251.10608	0.9
269.11401	5.5
293.79089	1.0
301.14215	2.9
310.19336	11.0
323.13855	0.7
354.18304	1.5
430.19913	3.8
559.25665	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.0
59.01384	13.0
68.99779	1.3
69.03466	1.0
71.01381	12.1
71.05024	1.1
72.99301	5.1
73.02936	0.9
75.00871	12.2
83.01393	3.6
85.02953	13.8
87.00856	5.2
89.02440	5.2
92.22498	1.3
95.01379	4.7
97.06609	1.3
99.00891	7.1
103.00407	1.5
113.02455	19.5
115.00328	1.4
117.01914	1.3
125.09708	1.2
163.11372	1.3
165.12846	1.8
175.02394	1.2
181.12396	0.9
209.11841	10.0
247.20688	2.1
249.06203	10.4
249.68532	0.9
263.16583	6.8
273.18546	1.1
291.19714	20.2
309.20718	1.5
348.81155	0.9
432.25211	1.3
541.26544	8.0
544.32129	1.0
559.27673	100.0
584.71674	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49153	0.6
57.03443	1.1
59.01385	8.9
69.18693	0.6
71.01382	9.3
72.99295	3.5
73.02951	1.4
75.00864	11.4
76.94859	0.5
83.01379	1.5
85.02943	12.6
87.00882	3.1
89.02445	5.6
95.01370	3.8
99.00881	7.8
101.00111	0.6
101.43564	0.7
103.00384	1.0
111.00884	0.8
113.02440	16.5
115.00339	1.4
116.49171	0.9
117.01915	1.6
125.09712	1.3
129.01958	0.8
165.12843	3.5
167.10741	1.1
171.10217	1.0
175.02527	1.1
181.12357	2.9
186.11304	0.8
187.65996	0.8
209.11812	9.9
244.21458	0.8
247.20691	3.4
249.06247	2.8
267.07178	3.9
291.19693	9.6
308.18921	0.8
309.20895	2.6
441.17679	0.7
514.89160	0.7
559.27667	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	559.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07320	1.3
59.01365	1.9
63.10327	1.2
67.83853	1.3
68.97623	1.4
83.35914	1.5
88.27383	1.6
127.07647	100.0
140.71280	2.0
160.63251	1.7
171.06630	58.2
171.10210	2.6
207.81369	1.5
410.91464	1.7
496.30334	2.0
559.24194	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	559.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.9
58.40350	0.9
58.66773	0.8
59.01385	11.2
60.48707	0.7
61.45312	0.7
71.01379	9.4
71.05042	0.9
72.99307	3.5
75.00870	9.6
83.01411	1.0
85.02945	15.9
85.60838	0.9
87.00860	4.5
87.04497	0.9
89.02430	6.0
95.01379	4.0
99.00848	7.3
103.00390	1.1
107.83223	0.8
111.00853	1.2
113.02438	19.2
115.00333	1.5
116.26994	0.9
117.01904	1.2
129.01906	1.4
129.59071	0.8
171.10283	5.4
185.11867	1.6
195.13876	0.9
209.15523	7.8
223.17047	1.5
233.15450	4.2
249.06128	1.7
251.16525	4.2
267.07101	1.3
291.19769	3.7
432.50449	1.0
446.21848	1.0
541.26495	1.0
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	559.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56530	0.3
59.01390	3.3
61.82164	0.4
71.01377	0.8
73.02984	0.5
75.97968	0.4
78.23096	0.4
85.02937	0.7
89.02438	3.8
97.95717	0.4
101.02435	2.2
113.02379	0.7
114.11916	0.4
119.03492	0.6
161.04529	0.8
209.58334	0.5
211.98087	0.4
213.04378	0.4
235.08284	1.8
253.09319	11.8
266.13510	0.5
277.21741	100.0
371.15015	0.5
394.56039	0.5
513.30750	8.1
559.32483	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41941	0.9
54.83906	0.9
56.20094	0.9
59.01385	6.8
62.49672	0.9
63.05239	1.1
71.01373	1.5
74.02473	1.9
74.03593	33.7
76.97141	1.1
86.47279	1.2
89.02465	1.1
91.92384	1.1
98.02484	5.8
99.00874	12.7
100.04055	1.5
113.02451	1.7
116.03530	1.0
118.05099	93.8
125.09720	1.4
133.06213	6.3
136.97729	1.1
137.05951	1.4
171.10312	2.0
175.08366	100.0
185.03618	1.3
185.11836	6.7
187.09795	1.4
209.11826	1.2
253.09428	1.7
291.19611	2.4
305.17636	2.1
308.74423	1.1
330.11865	1.5
459.25119	1.3
559.34076	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	561.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.7
59.01383	9.7
60.12170	1.7
63.15694	1.7
65.50696	1.7
71.01382	2.5
74.02439	1.7
99.04527	6.5
125.02396	2.0
227.03406	2.2
255.02971	4.0
256.03900	2.5
283.02576	29.6
284.03284	25.0
298.04858	76.2
299.05630	89.0
308.03342	13.0
323.05655	100.0
461.10648	15.8
467.09921	1.9
485.10898	23.1
529.09625	2.5
561.23743	3.5
561.32147	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	561.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08989	0.5
51.72221	0.5
55.01893	0.5
55.16318	0.4
56.23485	0.5
57.03445	4.1
59.01376	2.9
69.99327	0.5
71.01378	0.7
84.50233	0.6
89.02395	0.6
99.04510	2.5
101.02451	1.0
105.74929	0.8
108.02157	14.0
109.02953	13.5
109.64960	0.7
113.02437	1.1
133.69582	0.7
151.04022	2.5
152.01155	100.0
153.01944	3.7
161.04543	1.3
163.03979	4.5
177.01930	1.0
179.03563	1.2
207.02853	0.6
234.39006	0.6
241.07173	6.1
263.02124	0.6
267.04742	0.6
285.06122	1.0
399.09378	12.7
417.10416	39.0
459.11609	9.3
499.14905	2.4
561.14703	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	561.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38277	0.6
51.69601	0.6
52.34419	0.8
59.01384	4.1
71.01392	1.2
74.40794	0.7
75.39154	0.7
87.64000	0.7
101.02448	1.7
113.02456	1.9
121.02953	1.2
122.03720	1.2
123.04459	1.1
134.03751	7.1
135.04498	1.8
136.01665	21.3
137.02432	1.7
142.57675	0.7
149.02441	7.8
149.06107	3.1
151.04005	82.9
152.01181	5.7
160.01665	15.4
161.02393	3.6
163.04031	1.0
164.04800	28.3
167.03444	1.1
169.05118	1.2
175.04001	39.2
179.03542	1.5
179.07141	14.7
181.05130	0.8
193.01410	5.7
193.05095	7.8
208.03789	81.6
222.05402	1.5
223.06125	100.0
244.19090	0.8
290.90799	0.7
297.07974	1.1
300.74347	0.7
309.07736	1.3
312.10172	1.7
323.07727	5.3
324.10187	1.0
327.12378	3.8
337.09344	25.3
339.12405	4.4
342.11093	5.3
357.13467	58.1
486.61423	0.9
501.17590	5.6
561.16235	52.5
567.51239	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1984
Annotation	Caohuoside D
Peak:m/z	Relative Intensity
58.59829	0.7
59.01381	21.0
63.01584	0.9
69.87802	0.8
80.13997	0.9
88.89506	1.0
89.04913	1.1
92.22441	0.9
94.69202	1.1
106.17379	0.9
124.77567	0.9
135.04604	1.1
139.64981	1.0
145.02957	0.9
175.03911	3.2
190.06363	10.1
203.07179	2.0
222.05286	7.7
243.29385	1.0
261.05679	2.2
263.07153	3.6
268.11050	1.8
269.08243	7.6
278.09549	1.9
279.06680	13.1
281.08258	5.0
283.09787	3.6
291.06616	1.4
292.07483	1.3
293.08228	5.4
294.09058	16.2
296.10513	7.5
297.07721	42.0
297.11029	3.3
308.10532	5.1
309.07706	72.9
309.11334	32.6
312.10077	67.3
312.12912	1.2
321.11548	1.2
323.09167	4.4
324.10077	43.3
327.12418	100.0
339.12396	86.8
371.45480	0.9
381.13449	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	561.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87064	0.3
57.03454	4.2
58.53228	0.3
59.01382	19.7
68.79141	0.3
71.01376	3.7
73.02944	11.3
83.01384	2.3
85.02931	1.4
89.02445	1.5
99.04512	5.1
101.02448	8.6
113.02462	3.3
122.03733	2.1
123.04589	0.6
125.02421	2.2
127.68253	0.4
131.03497	1.5
133.02928	0.4
134.03734	0.4
136.01659	27.7
137.02437	0.7
143.03465	0.6
149.04552	0.6
149.06050	0.5
151.04002	100.0
159.04475	0.5
160.05258	1.4
161.04538	3.3
162.03242	0.6
175.07686	0.9
177.05551	0.5
179.03413	0.4
182.03918	0.4
195.96689	0.4
203.07213	0.9
203.09332	0.4
221.06660	1.5
239.74133	0.4
256.67413	0.4
269.86853	0.4
281.08194	1.5
293.08237	0.5
294.08997	1.9
296.10526	0.6
308.10623	0.6
309.07712	8.2
309.11288	1.8
311.12961	0.4
323.09125	0.5
324.10086	4.2
339.12415	8.2
342.11121	7.3
357.13467	72.2
373.18774	0.5
531.18799	0.6
543.18561	3.4
561.22546	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68324	0.5
57.03453	8.1
58.25540	0.5
59.01389	16.6
60.60001	0.7
63.81892	0.5
71.01389	3.2
73.02949	7.4
74.52174	0.7
80.86460	0.6
81.46289	0.7
83.01392	1.2
83.58524	0.6
89.02435	1.0
99.04510	8.8
101.02430	6.9
109.02990	0.7
113.02409	1.2
119.88480	0.6
121.02918	1.5
122.03707	3.1
123.00879	0.7
125.02428	3.2
136.01662	34.9
137.02390	0.8
143.03500	0.7
149.06013	1.0
151.04007	100.0
156.98480	0.7
160.05199	0.8
163.03876	1.0
171.67734	0.7
188.70226	0.7
189.29436	0.7
193.04953	1.0
281.08359	1.2
282.08801	1.0
293.08136	0.9
296.10587	3.6
296.34558	0.8
297.11322	3.8
301.14902	0.7
309.07767	11.3
309.11066	1.3
324.10126	5.8
339.12509	9.5
342.11047	12.3
350.40921	0.7
357.13477	81.3
477.90158	0.8
501.31360	0.9
517.22968	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.198
Annotation	Caohuoside D
Peak:m/z	Relative Intensity
55.53658	0.8
55.66471	0.7
56.21859	0.8
57.03449	1.9
59.01380	25.9
63.80444	0.9
68.85043	0.8
71.01369	8.6
72.91165	0.9
73.02940	9.9
73.78509	0.8
75.44682	0.8
80.40308	0.9
81.25529	0.9
83.01402	1.7
85.02940	3.9
89.02435	10.6
92.22516	2.0
99.04474	4.0
101.02451	9.4
113.02422	4.2
119.03459	1.6
122.03768	1.1
125.02441	3.4
136.01656	27.8
139.48042	1.1
149.04550	7.7
151.03999	100.0
161.04555	3.5
161.13344	2.3
175.04034	1.3
175.07658	1.7
205.12407	3.9
213.90805	1.0
223.13443	1.4
235.79419	1.2
249.11340	1.3
278.04874	1.0
281.08032	1.0
308.10324	1.0
309.07663	20.0
323.09369	1.3
324.10089	10.4
339.12387	16.4
342.11002	7.3
357.13467	77.5
429.17615	4.5
452.80893	0.9
560.92712	1.0
561.21893	29.9
561.29602	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	561.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55415	1.9
53.99038	1.5
57.03160	2.5
57.03451	90.7
59.01381	100.0
67.82136	1.5
71.01381	11.4
73.02954	10.6
76.57430	1.9
85.02941	8.8
89.02428	9.4
92.22428	3.1
99.04510	99.5
99.63409	1.7
101.02425	33.6
113.02411	9.0
113.84659	1.7
119.03477	3.3
122.69364	2.0
125.02441	39.2
134.03703	1.9
143.03519	3.5
149.04543	6.9
151.04037	2.6
161.04633	3.1
175.03932	2.4
201.44481	1.9
210.91266	1.9
231.86589	1.9
280.89258	1.9
357.13129	3.6
362.64709	2.1
370.69131	2.2
373.18726	4.2
404.96146	1.8
415.19891	2.9
443.80060	1.9
517.22943	16.6
561.22003	23.4
561.30023	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	561.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.1
59.01387	5.8
62.20451	0.4
66.58598	0.4
71.01383	2.3
85.02954	0.9
89.02438	1.7
92.27336	0.5
99.04511	2.2
101.02434	3.2
113.02439	1.0
116.42383	0.4
117.03423	1.0
119.03492	0.7
125.02433	0.6
132.02162	1.1
134.03738	23.7
135.51802	0.5
136.98967	0.5
149.06073	4.4
151.07724	0.5
152.08369	0.5
153.09172	2.6
160.01659	38.4
161.02437	0.5
175.04004	94.1
178.02733	0.8
179.03539	0.8
191.07161	5.4
192.04393	0.5
193.05061	29.4
193.41229	0.5
198.77660	0.5
202.02774	0.5
205.12323	4.4
207.06651	0.8
235.06100	7.6
295.08249	0.6
299.05453	1.8
350.40427	0.5
561.23462	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66084	0.4
52.16377	0.4
54.63936	0.4
55.07124	0.4
56.43324	0.5
57.02849	0.5
57.03437	2.6
57.66574	0.4
59.01379	5.7
66.24449	0.6
71.01399	0.8
72.00874	0.5
74.02080	1.0
74.02470	21.1
85.02965	0.6
85.35644	0.5
85.84464	0.4
86.02463	1.0
90.17491	0.5
91.49818	0.4
96.96027	0.9
98.95562	0.7
99.04482	3.8
101.02435	0.8
111.08147	5.5
113.02422	0.6
116.05065	6.2
120.79369	0.5
125.02463	1.3
125.03521	0.7
126.80514	0.5
128.01471	0.5
131.03755	3.5
132.04559	11.5
134.03711	1.1
142.06590	1.2
144.04507	1.1
146.41945	0.5
150.09180	0.5
154.08751	2.0
157.07690	6.2
158.06136	4.2
159.09299	2.6
160.01649	3.5
167.11913	1.1
168.10309	5.0
172.09833	0.9
175.03986	8.0
175.08784	6.1
181.13586	0.6
183.05635	1.3
184.04059	0.7
193.05026	3.5
201.06708	2.5
203.06496	1.1
203.08286	28.4
204.08582	1.1
210.20844	0.6
211.14494	0.8
212.09294	6.7
219.07811	6.9
225.12617	0.6
230.10167	1.8
237.12370	1.1
255.13539	3.2
281.11615	0.8
287.12521	0.8
295.14447	0.6
314.18707	0.6
322.19205	0.7
366.18256	2.4
384.19250	2.4
501.30890	0.7
543.22473	2.1
561.23505	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77678	0.5
72.00930	0.7
74.02472	22.2
86.02483	1.4
92.05055	0.7
100.00386	0.9
107.89083	0.6
111.08147	4.8
116.05055	8.9
131.03748	3.4
132.04564	9.6
144.04533	1.2
146.06163	0.8
150.09212	0.9
153.10359	1.1
154.08762	1.0
157.07726	7.4
157.08887	0.9
158.06126	4.7
159.09253	2.9
167.11856	0.9
168.10324	4.7
172.09865	0.9
172.36246	0.7
175.08768	4.1
193.13495	0.6
201.06610	2.3
203.08282	28.5
204.08679	0.7
211.14612	1.1
212.09325	7.4
219.07829	7.4
225.12480	0.9
237.12538	2.4
238.85699	0.6
255.13429	2.7
295.14450	1.0
297.16083	1.3
310.19400	0.7
313.15701	0.9
314.18970	0.8
366.17953	0.7
384.19385	2.5
388.18918	0.8
416.18826	0.8
428.18054	0.9
437.16534	0.7
543.22430	1.4
561.23566	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.6
57.03462	9.0
59.01383	42.8
59.40005	1.0
61.68361	1.0
64.65098	1.1
68.57435	1.1
71.01378	30.6
73.02931	9.2
74.02467	15.4
74.12770	1.2
83.01383	5.1
85.02948	13.7
87.00844	1.9
89.02432	15.9
96.96032	1.4
97.05598	1.0
99.00864	2.7
99.04521	4.7
101.02448	22.6
111.08122	5.0
113.02424	15.6
116.05030	5.3
119.03486	2.5
119.26693	1.1
125.02402	2.6
131.03696	1.3
132.02159	1.5
132.04529	6.8
134.03732	37.2
146.08852	1.2
148.05214	1.3
149.06068	19.4
150.56026	1.1
151.04060	1.3
157.07669	1.5
158.06116	2.2
159.02863	1.2
160.01662	29.9
161.04497	2.2
168.10306	2.5
170.41982	1.3
175.04007	85.9
175.08867	2.1
176.04782	15.6
177.01947	1.4
178.02698	8.3
191.07135	48.3
193.05057	100.0
203.08328	12.6
207.06604	7.8
212.09276	4.9
217.05054	5.2
219.07686	1.6
220.03790	4.2
235.06117	74.1
247.06102	1.6
265.07193	39.7
284.03238	5.9
295.08258	60.4
337.09335	1.2
355.05981	1.8
355.10370	42.3
386.15338	1.3
399.24020	4.8
417.10916	2.0
543.23029	2.1
561.23260	52.9
561.29370	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	561.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38125	0.6
59.01377	3.4
71.20020	0.8
74.02467	42.5
76.47950	0.7
82.81387	0.6
95.01575	0.7
96.08006	0.8
99.04502	0.8
100.00363	1.7
106.34019	0.8
107.16419	0.7
111.08163	8.9
116.05055	6.9
132.04544	13.5
142.06602	1.1
150.09227	4.1
154.08745	1.8
159.09235	0.9
160.39154	0.8
167.11896	1.9
168.10283	16.2
172.09790	8.0
175.08681	0.8
177.07457	0.8
181.13382	1.0
184.35890	0.7
186.05643	0.7
187.77501	0.8
193.05042	1.8
199.14532	1.2
203.08281	27.8
207.11345	0.7
209.11749	1.2
212.09315	19.7
219.07648	3.0
225.12416	3.5
230.10385	3.0
243.13519	1.7
255.13527	3.3
269.11484	3.7
287.12579	4.3
297.16226	1.7
302.94617	0.8
357.59818	0.9
359.15967	1.9
384.19290	2.9
416.18231	10.2
501.30606	0.9
561.23547	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09180	0.6
54.89842	0.6
57.03452	15.4
59.01101	1.1
59.01382	23.4
61.11417	0.6
62.90419	0.6
65.14580	0.6
68.45999	0.7
71.01381	8.3
71.22841	0.5
72.99300	3.0
73.02942	1.6
75.00876	7.5
76.72300	0.6
78.79051	0.7
83.01341	0.9
85.02947	13.6
85.46459	0.7
87.00864	3.6
87.04488	1.4
89.02439	5.0
95.01370	2.6
99.00874	7.1
99.04520	15.8
101.02432	7.6
101.06081	54.8
111.08140	1.0
112.24194	0.6
113.02438	15.5
115.00349	1.6
117.01916	1.2
125.02448	8.4
129.01927	0.9
143.03464	0.9
161.04601	1.0
165.12846	9.9
169.12299	0.9
183.13913	37.9
209.11856	1.2
209.86574	0.6
227.12903	0.9
240.49234	0.8
255.19640	0.9
289.49234	0.7
351.13028	4.4
364.05652	0.7
417.25180	1.6
499.25238	1.0
501.27100	14.0
531.15332	0.7
561.25500	100.0
579.71362	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.292
Annotation	Atractyloside D
Peak:m/z	Relative Intensity
57.03451	90.0
57.76995	1.7
59.01385	100.0
61.94519	1.7
71.01382	27.4
73.02942	4.0
85.02943	4.5
87.00861	2.3
89.02444	30.8
93.03475	4.0
99.03889	4.4
99.04510	92.5
99.05164	3.3
101.02437	40.5
113.02448	24.5
119.03530	8.1
125.02430	42.5
134.03769	11.8
137.02446	10.2
143.03517	4.5
160.01682	19.4
175.04004	48.2
183.98093	2.2
193.05084	16.6
224.69197	2.2
272.73727	2.0
296.97479	2.1
399.24234	16.1
399.28638	2.1
417.25006	74.5
449.28461	2.2
459.25992	28.7
501.31027	7.7
502.73627	2.2
561.23053	37.9
561.30548	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	561.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43064	1.0
57.03447	7.5
59.01383	19.3
61.95408	1.0
61.98843	1.4
63.70708	0.9
65.87363	1.0
71.01386	6.2
81.03427	1.3
83.05021	1.9
89.02436	7.7
99.00846	1.6
99.04523	7.3
101.02457	9.1
102.93065	1.2
113.02436	2.6
118.05074	1.7
119.03468	1.5
125.02445	2.1
126.53716	1.0
130.51610	1.0
134.24913	1.1
147.71426	1.4
163.11314	2.2
191.10878	1.3
197.11809	7.1
209.11842	100.0
215.12947	1.2
227.12939	6.6
253.09258	9.1
307.19199	12.9
325.20279	10.5
417.24915	4.2
445.20789	4.5
459.25998	2.0
474.21509	1.4
531.29614	1.8
534.47607	1.1
543.28241	14.5
561.29047	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	561.2919
Annotation	Atractyloside D
Peak:m/z	Relative Intensity
50.40104	1.5
53.86716	1.5
56.93240	1.4
57.03450	100.0
59.01382	94.3
59.11683	1.4
60.44777	1.5
71.01369	28.4
73.02939	7.5
76.69537	1.6
83.60345	1.8
85.02938	3.9
88.36461	1.9
89.02435	37.7
90.85773	1.6
95.01391	1.9
96.96014	2.3
99.03897	4.0
99.04515	90.9
99.05163	3.1
101.02437	35.9
108.22396	1.7
113.02442	25.9
119.03488	14.2
125.02435	38.7
134.03740	16.3
139.52698	1.9
143.03510	6.7
149.06119	3.9
160.01633	18.5
163.04124	2.0
165.01839	2.3
167.09004	1.8
175.02577	3.2
175.04004	54.8
179.05556	4.1
191.07140	11.2
193.05061	34.5
235.06172	18.5
265.07104	8.7
271.06116	2.4
295.08237	12.8
299.05569	7.4
355.10260	9.3
399.23920	11.9
417.24991	82.1
459.25983	27.6
501.30231	4.0
561.23645	17.5
561.30139	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	561.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	4.5
59.01386	32.0
71.01379	32.8
72.99301	4.9
75.00871	44.0
83.01414	3.2
85.02946	56.3
87.00885	17.9
89.02438	16.7
92.34461	2.9
95.01392	15.1
99.00880	24.1
103.00349	11.7
104.69145	2.5
113.02445	83.2
113.09712	16.6
115.00378	4.6
117.01929	6.2
117.33196	2.8
129.01938	4.4
143.32040	2.6
149.04807	2.4
155.88728	2.4
157.01436	4.1
167.10803	4.9
175.02466	10.2
184.23932	3.1
195.13872	24.9
201.42094	3.4
205.07178	3.9
205.12376	4.9
223.08353	4.0
223.13388	64.9
249.06218	25.4
262.31384	3.1
267.07278	29.4
293.21259	81.1
303.35681	2.6
314.75641	2.6
473.20197	16.5
507.40253	2.8
525.27234	3.1
543.19800	3.6
543.28143	100.0
561.29169	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	561.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27021	4.4
51.32858	3.7
59.01382	28.5
60.85901	3.8
61.98835	4.4
66.95975	4.1
71.01371	28.4
72.99310	9.2
75.00862	20.1
85.02965	36.3
87.00895	32.3
89.02425	7.9
95.01353	4.9
99.00885	17.1
113.02466	59.2
115.00411	4.5
129.01959	7.4
183.10229	7.9
185.11804	6.1
249.06213	7.6
267.07239	9.5
293.21252	78.4
434.75241	5.6
543.28107	100.0
561.29047	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	561.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	28.5
64.06580	1.4
65.90034	1.6
67.29478	1.5
67.64140	1.6
71.01393	11.4
75.00877	10.9
83.19749	1.5
85.02956	14.6
87.04529	2.6
89.02443	7.0
95.01391	2.6
99.00895	9.5
101.02439	1.9
113.02439	18.1
172.09882	2.2
189.54869	1.7
223.17053	21.3
242.58919	1.8
267.07385	1.9
293.21207	2.9
311.22372	16.4
325.20157	2.2
466.85022	1.8
501.31256	13.0
561.29279	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	561.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	20.4
58.03757	0.7
59.01105	1.4
59.01383	31.4
59.02084	0.6
71.01376	10.0
72.99303	1.4
73.02942	1.2
73.78277	0.7
75.00864	8.6
85.02946	12.4
86.73470	0.7
87.00855	3.2
87.04510	6.9
89.02426	3.4
91.58360	0.8
94.24490	0.8
95.01372	3.2
99.00861	5.1
99.04521	21.6
101.02428	9.0
103.00360	1.0
113.02434	15.1
117.01878	1.9
120.00425	0.8
124.51935	0.8
125.02443	13.3
153.92554	0.9
158.07091	0.8
159.35648	0.8
161.04562	1.4
162.22632	1.0
183.13849	0.8
201.11317	0.9
223.15057	1.4
223.17058	27.4
235.16991	2.0
249.06058	5.5
275.20108	1.3
293.21167	4.0
311.22345	17.9
417.24918	3.3
459.25729	1.4
501.27078	1.9
517.30200	4.0
561.29169	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	72.9
70.73212	1.4
71.01374	1.8
97.05681	1.4
111.58877	1.4
113.02445	2.1
119.08353	1.5
154.81505	1.5
171.23070	1.6
190.58708	1.7
217.24760	1.5
217.87187	1.6
255.23303	100.0
263.11441	1.9
291.61844	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	561.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	83.0
69.28174	1.4
71.01410	1.4
133.50601	1.2
153.33484	1.3
157.96317	1.2
206.54160	1.3
255.23306	100.0
263.11252	2.0
299.35782	1.4
427.46622	1.5
467.27353	1.6
501.34363	2.1
561.36395	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	561.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.1
66.75629	0.5
70.68791	0.7
73.30024	0.5
82.19203	0.6
82.27827	0.5
88.11656	0.6
90.94565	0.5
93.90619	0.6
97.06572	0.8
105.52305	0.6
111.08144	0.9
123.29178	0.6
165.12863	7.9
176.12695	0.7
182.01357	0.6
183.13904	100.0
209.11789	3.6
227.12799	2.6
277.21747	66.0
283.15552	1.4
292.96649	0.7
301.16605	3.8
333.40775	0.6
382.12054	0.7
561.37988	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	563.1038
Annotation	Petunidin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
62.98055	0.5
70.02965	0.4
78.95897	17.6
87.04498	1.9
89.02435	0.6
93.03441	2.4
96.96009	0.9
96.96951	8.1
99.95732	0.5
111.01995	100.0
113.02443	0.5
113.03592	1.1
114.01944	1.1
131.03482	6.3
131.04610	4.7
134.04747	1.1
137.02429	10.6
138.98068	1.0
150.97964	0.7
207.00558	0.6
211.00143	0.7
225.01660	7.8
240.99338	0.5
259.45557	0.6
267.02863	0.6
323.02979	0.8
431.12140	6.6
451.07697	2.3
563.10358	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	563.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54395	1.2
57.03444	5.2
59.01378	51.0
61.54641	1.1
64.02647	1.2
71.01372	15.5
73.02934	19.1
74.40824	1.2
78.77855	1.2
79.59077	1.2
83.01382	5.9
85.02941	7.1
89.02441	13.6
95.01421	1.4
96.95985	4.8
99.03960	1.4
99.04499	10.7
101.02440	24.3
113.02448	10.9
119.03477	3.2
123.04413	1.9
125.02410	2.4
131.03461	1.5
134.98363	1.2
141.47327	1.4
143.51147	1.2
149.04579	5.3
160.05225	2.1
161.04584	2.2
172.05292	1.4
174.25967	1.2
175.03967	1.7
190.06378	5.7
198.25781	1.6
205.08791	2.8
207.13828	10.9
211.94882	1.4
243.02930	2.2
251.12903	5.7
255.02956	8.7
259.06320	1.7
271.02478	12.5
272.03250	4.9
287.05682	1.4
296.10486	2.8
299.01962	100.0
300.02768	42.5
311.12842	2.6
314.04373	55.6
315.05151	73.6
341.13934	12.3
431.19128	8.0
458.56696	1.4
503.18991	10.1
503.31903	14.4
519.11487	90.0
521.20850	1.7
543.09009	1.6
563.15808	1.4
563.23077	34.3
563.33911	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	563.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83112	0.6
59.01375	1.5
63.48244	0.6
69.09155	0.6
69.72166	0.7
71.01379	1.4
75.90321	0.6
78.60657	0.7
80.99770	0.6
82.53384	0.6
108.02163	15.8
109.02407	0.7
109.02969	11.1
119.05002	10.1
121.02901	0.8
136.05281	1.0
145.02945	5.2
150.03227	1.1
151.04015	1.7
152.01151	100.0
153.01907	3.1
160.05267	6.5
163.04012	16.2
164.04811	1.1
175.07655	13.9
177.05524	1.4
178.06371	9.0
179.03503	1.2
192.07993	5.1
193.08690	1.1
228.80334	0.8
241.07173	1.7
329.13989	45.7
349.92603	0.8
359.15002	4.7
399.09335	6.6
417.10477	26.9
503.19379	5.6
515.36578	0.8
563.14105	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	563.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59653	0.8
59.01389	1.7
59.68386	0.7
71.01352	1.0
74.44406	0.7
89.48160	0.9
99.04436	0.8
108.02168	17.6
109.02924	13.2
119.05003	10.3
134.11168	1.0
145.02959	3.2
149.02388	1.0
150.03191	1.4
151.04048	1.5
152.01147	100.0
153.01906	3.6
159.04453	1.0
160.05290	10.5
163.04030	17.5
164.04834	1.8
173.06010	1.2
175.07652	24.0
177.05618	4.1
178.06332	14.3
192.07941	9.9
193.08684	1.5
220.38774	1.0
241.07162	5.1
281.30612	1.0
285.09219	1.0
299.02020	3.5
329.13977	62.3
359.15048	11.2
399.09424	7.9
417.10403	28.7
519.11572	3.8
563.14166	91.2
563.21887	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	563.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54559	4.8
57.03458	39.0
59.01371	11.5
61.72258	4.5
65.79667	5.2
71.01379	23.4
73.02949	7.1
84.44253	5.5
85.02969	6.6
88.43350	4.8
96.95977	10.1
97.02929	6.0
99.00896	39.2
99.04491	7.1
101.02441	39.0
113.02467	11.7
125.02435	75.8
134.03812	5.9
149.06010	6.1
161.04555	11.0
168.56516	5.3
170.14815	5.3
172.24194	5.8
177.22925	5.9
178.02693	7.0
189.96239	5.4
193.05045	100.0
271.90463	5.5
281.06656	26.8
366.95264	5.6
419.12009	70.2
461.12912	29.1
563.16266	81.1
563.28320	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	563.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15930	1.2
57.03160	2.1
57.03449	84.4
59.01382	100.0
60.43764	1.2
71.01378	6.9
72.99240	1.3
73.02928	3.1
75.00853	1.2
81.03421	1.5
85.02971	1.9
88.98752	1.2
89.02431	1.7
99.04511	92.2
101.02424	24.3
113.02445	5.8
125.02428	43.5
127.07643	2.2
143.03450	5.0
161.04611	2.3
178.65521	1.3
183.13986	1.9
276.42972	1.3
313.23807	2.1
370.03198	1.2
401.25223	1.5
419.14163	4.7
419.22226	1.6
419.26959	1.7
425.30716	1.7
431.26859	2.1
461.27374	1.9
473.32489	2.9
503.32312	2.3
519.18701	5.5
563.18365	3.0
563.30017	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	563.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23283	0.3
59.01384	100.0
59.74745	0.3
61.15099	0.3
61.56758	0.3
63.26226	0.3
68.15046	0.3
92.20713	0.4
92.22798	0.3
130.43930	0.4
138.32510	0.4
157.62392	0.4
203.44334	0.3
234.95937	0.3
269.04562	16.4
269.07312	0.7
284.03720	0.5
284.06934	18.7
299.09274	28.3
563.17700	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22268	1.0
52.98801	1.1
56.06423	1.1
57.03452	93.2
57.85164	1.1
58.13074	1.2
59.01382	99.8
60.49148	1.2
66.12838	1.4
77.81796	1.1
80.57291	1.2
81.03457	1.8
83.89418	1.1
86.42319	1.3
99.04513	100.0
101.02446	18.5
112.94456	1.4
113.02423	2.2
125.02434	41.8
143.03557	3.0
161.04527	2.6
204.48091	1.6
375.14658	1.9
378.35089	1.4
407.69287	1.5
417.15942	1.6
419.14847	1.7
519.18823	5.8
563.35797	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	563.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
66.57531	0.3
84.46539	0.3
92.23059	0.3
121.02947	1.3
122.03716	1.3
123.00851	0.4
123.04498	0.4
136.05305	2.7
137.06073	0.4
146.03751	0.5
149.02440	0.7
150.03204	3.1
158.03766	0.5
159.04475	2.9
160.05292	17.0
161.06027	2.8
163.04033	3.2
164.04819	4.9
173.06055	1.6
174.06847	1.8
175.07643	35.1
177.05566	5.8
178.06348	20.4
178.07921	0.7
179.07074	1.2
191.06963	0.5
192.07935	12.8
193.08702	4.0
314.11533	1.7
329.13983	100.0
359.15030	15.8
411.88354	0.4
427.99173	0.4
430.12921	0.4
485.68967	0.4
503.19144	0.5
563.21753	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	563.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36219	0.6
59.01381	7.2
62.69703	0.6
64.02650	0.6
71.01403	0.8
89.82688	0.6
96.96017	1.7
121.02885	1.1
122.59563	0.7
123.04480	0.7
125.88244	0.7
133.02470	0.7
136.05295	2.7
142.36305	0.8
149.02458	0.9
149.06120	0.8
150.03262	4.8
151.45784	0.7
158.03682	1.0
159.04552	1.6
159.38382	0.8
160.05301	19.5
161.06081	1.5
163.04034	5.3
164.04768	6.2
165.05563	0.8
168.04385	0.8
173.06032	3.4
175.07643	37.8
177.05540	8.5
178.06369	17.0
192.07965	8.0
193.08704	6.7
207.61496	0.6
223.87306	0.7
267.57452	0.7
267.68552	0.7
299.12912	6.4
314.11749	1.1
329.13974	100.0
359.15063	10.3
401.16327	4.9
473.11108	1.1
473.18057	12.6
503.19485	3.4
533.20386	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	563.2141
Annotation	Bistratamide J
Peak:m/z	Relative Intensity
50.73662	0.2
51.92268	0.2
53.98582	0.2
58.33414	0.2
59.01394	0.3
59.87779	0.2
62.16137	0.2
64.73759	0.2
69.97292	0.2
82.58825	0.3
91.11451	0.2
97.59017	0.2
97.65954	0.2
104.97554	0.2
109.98985	0.2
121.02975	1.2
122.03738	0.6
123.04516	1.1
136.05295	2.1
137.06068	1.2
137.94652	0.2
143.05083	0.3
145.02948	0.2
149.02411	2.1
150.03212	3.1
153.05530	0.3
158.03706	0.5
159.04510	3.5
160.05290	17.9
161.06076	1.9
163.04048	2.5
164.04807	5.3
168.04192	0.3
173.06024	2.8
174.06871	1.2
175.07645	36.0
176.04797	0.5
177.05569	6.4
178.06355	20.6
192.07924	12.5
193.08707	5.0
258.10007	0.2
258.94070	0.3
299.12900	0.3
314.11630	1.3
329.13983	100.0
359.15042	15.4
363.85532	0.3
401.16339	0.4
473.18393	0.5
503.19238	0.4
533.20209	0.5
563.22394	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96943	0.7
55.01850	0.9
57.03444	4.9
59.01379	100.0
62.65510	0.7
66.31271	0.7
69.03455	1.1
69.39941	0.8
71.01376	37.9
72.99290	0.8
73.02939	71.4
75.00856	0.8
75.77464	0.7
81.03453	0.8
83.00935	1.2
83.01381	15.5
85.02942	9.3
87.00858	1.5
89.02438	20.4
94.11257	0.8
95.01385	1.8
95.46630	0.8
97.02943	1.1
99.04505	5.6
101.02434	64.5
109.02934	0.9
113.02444	28.2
119.03480	9.7
121.02941	1.8
122.03709	1.4
123.04533	4.2
125.02419	4.7
131.03481	4.3
136.05289	1.7
143.03505	5.0
149.04556	8.4
159.04491	3.1
160.05313	12.9
161.04575	22.0
161.05965	1.8
172.05267	8.0
173.06038	4.7
175.03951	1.7
175.07637	7.0
179.05624	1.2
183.98463	0.9
187.07594	3.7
189.05556	6.9
190.06354	21.3
203.05510	1.5
203.07204	1.6
204.07918	2.1
205.08733	18.7
207.14014	1.1
221.06532	7.3
281.08264	4.0
284.42712	0.9
295.09735	1.1
296.10574	16.6
311.12906	12.5
324.01559	0.9
326.11639	5.0
329.13953	1.9
341.13934	46.0
401.16022	5.9
431.19281	3.5
453.91818	0.9
503.19260	45.4
503.32104	3.6
521.20325	8.8
563.22015	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	563.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	17.4
59.01106	1.1
59.01382	22.6
71.01380	7.3
72.99294	1.0
73.02937	14.9
75.00871	7.0
84.50868	0.6
85.02946	20.7
87.00869	1.5
89.02422	3.6
95.01364	1.5
99.00320	0.6
99.00870	5.4
99.04514	14.5
101.02447	6.7
103.00360	1.3
103.04012	10.3
113.02435	13.1
115.00328	0.8
117.01891	1.4
125.02454	7.4
134.03708	2.3
135.12088	0.7
137.02452	4.0
143.03542	1.0
152.25351	0.7
160.01648	6.6
161.04514	0.7
165.12868	8.2
169.45731	0.6
175.02576	1.4
175.03995	17.8
183.13895	47.2
193.05067	3.1
209.11893	0.9
227.12912	3.2
249.06340	2.5
419.14212	2.2
419.19165	0.8
419.26736	1.3
432.42682	0.6
436.79904	0.6
453.99240	0.7
461.15402	0.9
461.27795	1.0
544.62146	0.8
545.22223	0.9
563.23669	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50365	0.5
54.73261	0.6
56.24055	0.5
59.01382	29.2
71.01376	13.8
72.99319	0.7
73.02939	0.6
80.14087	0.6
85.02962	2.4
89.02438	20.5
95.01367	2.5
96.10441	0.7
96.95995	0.7
99.04507	14.5
99.05090	1.0
101.02442	10.9
107.36412	0.6
113.01784	0.7
113.02435	7.2
119.03484	5.4
119.15469	0.6
125.02435	0.7
128.86603	0.6
160.01683	0.6
175.04050	2.7
189.12901	6.4
207.13901	27.5
233.11900	0.7
251.12895	25.0
297.33539	0.6
431.19232	16.3
503.19293	0.8
563.23541	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57061	0.7
57.03449	1.9
58.43616	0.7
59.01382	38.4
59.71604	0.7
62.05035	0.7
63.91133	0.7
71.01376	15.3
73.02931	1.3
85.02939	5.1
89.02434	19.1
92.22507	1.1
95.01308	0.7
99.04511	18.7
101.02439	11.3
102.76225	0.8
113.02437	11.5
119.03486	5.0
121.06536	1.0
125.02448	1.5
160.01610	1.5
161.13383	1.7
163.14925	1.4
165.04025	1.0
174.46518	1.0
175.03976	3.3
189.12872	5.9
205.12463	0.9
207.13911	29.8
233.11713	1.0
251.12892	27.1
262.16177	1.0
300.50104	0.9
341.14224	2.9
383.17297	1.2
411.25177	1.0
431.19421	15.6
503.19397	7.9
563.23639	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	10.2
59.01379	54.4
66.19564	0.9
71.01374	18.6
73.02936	6.2
73.09242	1.0
74.23850	1.0
75.00870	1.1
83.01363	2.1
84.68581	1.2
85.02946	10.4
87.00838	1.9
87.77985	1.1
89.02434	22.4
95.01353	2.0
96.95955	1.6
99.00864	1.4
99.04508	30.4
101.02426	20.2
113.02435	19.7
119.03483	5.3
125.02431	5.7
149.04546	12.7
153.20276	1.4
158.53781	1.1
160.01611	1.4
160.05350	1.6
163.14804	1.1
170.56985	1.1
175.03990	2.2
175.07643	1.7
186.21483	1.1
187.07591	1.4
189.12854	7.2
190.06416	1.1
193.55835	1.1
205.08728	2.5
207.13907	42.5
209.11786	1.6
214.94633	1.1
233.12039	1.6
251.12891	26.9
269.13907	4.9
296.10602	4.3
311.12653	1.8
329.14081	2.1
341.13916	7.1
383.16803	1.2
419.11987	1.6
431.19186	22.9
449.02209	1.0
503.19165	17.5
503.32385	6.6
519.24066	1.2
521.33594	2.0
563.23492	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91195	0.7
57.03447	1.8
57.66400	0.6
59.01385	11.8
71.01367	3.9
76.27193	0.8
82.00911	0.9
85.02929	0.9
89.02434	3.5
92.23134	0.8
98.19840	0.7
99.04510	1.9
101.02416	2.0
101.29354	0.7
113.02436	3.4
125.02424	0.8
132.02129	1.8
133.02928	1.4
134.03735	13.5
149.06087	6.6
160.01654	37.1
171.10294	1.5
175.03996	93.5
176.04784	3.7
178.02686	2.0
191.07121	17.6
192.03793	0.8
193.03357	1.5
193.05074	35.2
197.97531	0.9
207.06619	3.4
217.05063	1.1
235.06134	29.2
253.09453	1.0
265.07156	4.9
295.08224	11.4
299.01935	4.2
314.04532	3.3
327.21820	1.6
355.10196	1.5
403.39133	1.0
457.06921	1.0
489.07104	0.9
519.11487	5.3
541.46014	1.0
563.24957	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.0
59.01364	2.9
65.02118	0.6
66.23051	0.6
71.01376	1.6
73.02959	0.6
85.02960	0.6
89.02409	1.3
99.04537	1.2
101.02424	1.0
108.66922	0.6
125.02443	0.9
125.98701	0.6
129.42862	0.6
132.02151	1.0
133.02972	1.5
134.03746	10.8
134.62053	0.6
149.06052	1.6
160.01651	35.6
175.04004	100.0
177.01900	0.8
179.03447	0.8
182.92477	0.7
189.12793	1.3
193.05103	7.5
207.13857	1.2
252.33630	0.7
506.18115	0.8
526.91809	0.7
563.24957	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	563.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28461	0.7
57.03452	90.8
59.01383	86.2
66.33414	0.8
71.01379	3.8
73.02942	1.2
81.03473	1.3
83.01415	0.9
85.02952	1.3
99.04511	100.0
101.02438	20.8
111.67004	0.9
113.02437	4.2
125.01530	1.7
125.02436	40.9
143.03505	4.9
159.10165	0.9
161.04532	1.4
322.66916	1.1
339.47275	1.1
375.23868	1.5
419.30493	2.0
457.28918	1.0
461.31033	3.5
519.28320	7.1
563.34491	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	563.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86351	1.0
50.92412	1.1
57.03453	100.0
59.01382	80.7
61.98842	3.1
67.34256	1.2
71.01375	1.5
71.61887	1.2
85.02905	1.2
87.22851	1.2
93.83270	1.2
97.97903	1.2
99.04514	93.1
101.02441	22.4
103.23904	1.4
125.02432	34.5
143.03491	5.4
189.72015	1.4
192.40327	1.2
230.32054	1.4
253.45406	1.4
324.02191	1.3
390.03915	1.3
396.45755	1.4
419.30212	1.5
461.31235	2.1
519.28137	8.4
563.34778	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	563.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	100.0
59.01383	86.7
59.01682	2.4
59.12661	1.7
61.98831	3.0
63.75368	1.7
64.46289	1.8
67.63819	2.0
70.03792	1.9
71.01376	4.1
87.23994	2.3
89.58842	2.1
99.04514	98.9
99.05155	3.7
100.03574	2.2
101.02448	28.6
111.54728	1.8
125.02428	43.9
143.03473	2.8
154.73091	2.1
161.04529	2.9
193.56056	2.0
201.17189	2.3
222.65465	2.0
404.12015	2.3
519.28455	7.7
522.06506	2.3
563.34546	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	563.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05515	0.9
55.24063	0.8
59.01375	5.8
63.65058	0.8
71.01383	2.2
78.41708	0.8
80.48443	0.8
83.05009	2.0
83.45351	0.9
89.02432	5.1
101.02434	6.0
113.02477	1.7
119.03507	1.2
129.09239	7.2
136.72740	0.9
141.09204	1.7
144.82596	0.9
161.04570	1.3
162.00040	0.9
165.12849	1.1
185.11852	15.2
191.10828	1.5
194.99342	0.9
197.11827	13.0
208.59718	0.9
209.11845	100.0
227.12900	6.3
253.09290	15.9
291.19717	5.5
309.20807	8.6
309.23779	0.9
315.60495	0.9
327.21793	21.6
445.21054	5.1
454.89780	1.0
545.29633	1.7
563.30505	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	563.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.9
66.87269	0.6
71.01382	1.2
73.02942	0.7
76.27327	0.5
82.24241	0.6
83.05031	2.7
83.62512	0.5
84.09390	0.5
85.02921	0.5
89.02424	3.9
101.02457	4.3
113.02451	1.3
119.03503	0.8
129.09195	5.0
132.52243	0.5
136.82716	0.5
141.09236	2.7
161.04561	1.1
163.11279	2.6
165.12886	1.0
179.00813	0.6
185.11841	13.7
197.11848	12.4
209.11839	100.0
227.12904	6.8
253.09283	13.3
291.19714	4.2
309.20779	8.5
327.18176	1.0
327.21771	18.3
445.21075	6.1
545.29718	0.8
563.31085	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	563.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37840	0.8
57.37872	0.9
82.68846	1.0
97.06564	1.0
165.12827	12.3
175.87608	1.0
183.13901	100.0
209.11813	3.6
227.12877	2.1
279.23315	95.6
301.16516	1.4
563.39557	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	564.238
Annotation	Unknow
Peak:m/z	Relative Intensity
64.29778	0.3
71.38243	0.3
79.98372	0.4
112.57826	0.4
228.41190	0.4
357.18570	0.5
370.19254	0.5
404.21021	0.4
405.20905	1.9
419.22437	20.1
420.23309	1.9
432.19513	0.6
433.24112	4.2
446.20532	0.6
447.21796	3.5
447.26282	1.8
448.26434	2.5
461.17145	0.6
461.23398	8.5
475.24933	2.0
476.18527	18.1
476.25739	4.0
477.19150	3.2
490.20047	4.1
491.20844	32.2
492.21457	1.3
505.22656	2.1
520.24823	0.7
564.23816	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.7
61.60368	1.5
63.73783	1.4
88.98785	2.0
96.96005	3.3
101.02417	2.2
121.02957	4.1
122.03738	2.4
134.03737	9.3
145.41287	1.6
148.94736	1.7
149.02470	2.9
149.06088	2.4
150.03224	45.1
156.04733	1.7
160.01630	19.0
164.04761	2.9
165.05562	74.9
166.32394	1.7
175.04005	100.0
177.05563	2.0
180.04330	8.4
184.48810	1.9
193.05046	9.6
195.06599	15.0
196.52808	1.9
250.06412	4.0
250.17590	1.7
282.08942	17.3
341.10416	14.7
354.09784	3.1
369.11932	74.1
383.71002	1.8
517.17401	17.2
565.19305	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	565.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50101	0.3
57.38952	0.3
57.97499	0.3
59.01378	0.3
62.95840	0.3
68.81956	0.3
71.01367	1.4
73.02924	2.4
77.28333	0.3
85.02924	0.3
85.20770	0.3
87.00860	0.5
89.02436	16.1
93.93706	0.3
97.85853	0.3
103.03355	0.3
103.04004	1.8
108.92043	0.3
131.03490	7.0
149.04547	100.0
162.17821	0.3
209.51463	0.3
453.96353	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35941	1.6
57.03450	2.6
59.01382	22.1
60.02588	1.8
68.53265	2.1
71.01408	2.7
73.83922	1.8
74.02470	2.5
86.19889	1.8
100.33546	1.7
101.02431	1.7
105.06723	1.8
115.58266	1.8
116.95515	2.1
125.42559	1.8
140.10596	1.9
142.06639	3.4
147.18542	1.8
151.61771	1.9
166.08714	4.8
187.70309	1.9
203.08183	11.1
220.71611	2.3
223.08534	8.7
225.06502	25.2
232.05898	2.1
251.04324	3.1
291.14694	3.1
316.14398	2.0
317.12735	2.7
361.11777	2.1
483.31232	3.0
485.32956	2.8
501.32056	3.0
505.34988	13.3
565.20709	100.0
565.29504	3.8
565.37842	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	565.214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90279	2.2
59.01382	44.2
62.92099	2.1
65.46946	2.1
71.01373	20.4
73.02949	3.0
74.23246	2.2
79.23264	2.2
82.28534	2.3
85.02977	3.0
87.51628	2.6
89.02437	33.7
96.44764	2.1
99.04509	13.1
101.02465	21.7
106.48452	2.4
108.02219	2.8
108.88480	2.3
113.02423	14.9
119.03506	14.2
121.46493	2.5
123.00867	4.3
123.04533	5.0
124.01645	3.5
134.03741	10.9
135.11842	9.8
149.06068	5.3
150.03242	23.5
159.11801	4.9
160.01736	4.0
161.04544	4.8
161.09694	10.9
165.05574	35.0
175.04007	27.6
179.10780	59.4
180.04428	3.2
193.05109	13.0
193.12469	2.9
195.06599	4.8
205.08708	3.4
221.11908	4.2
223.09772	51.3
265.10867	18.8
272.06955	4.2
282.09064	4.4
287.09235	28.1
317.10385	15.3
325.12964	3.3
341.10086	3.3
369.12051	34.1
385.14911	4.8
403.15988	19.2
445.17130	5.0
475.18274	12.6
505.19360	58.2
521.16876	15.5
565.21362	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91259	2.1
59.01385	48.0
60.54422	3.1
71.01382	24.8
85.02985	2.8
89.02446	43.5
99.04500	15.1
101.02444	24.3
108.02171	2.9
111.04536	2.7
113.02428	16.6
117.96114	3.0
119.03486	6.5
123.00864	11.7
123.04505	14.4
124.01667	3.2
134.03633	3.5
135.11775	4.7
136.01714	3.9
139.07675	2.6
148.01767	3.8
150.03188	3.3
159.11804	3.5
161.09711	12.8
163.03992	2.7
165.05530	10.1
175.04065	11.9
179.10759	53.5
193.05093	3.2
193.12450	3.8
203.10858	3.0
205.08653	4.4
208.03667	3.7
221.11800	3.8
223.09769	47.1
260.12976	2.8
265.10864	25.5
272.06995	16.3
283.09796	3.2
287.09222	51.3
308.27692	2.7
310.06564	2.7
313.11008	3.0
317.10291	43.6
325.12704	3.3
330.14685	3.5
361.13031	4.1
369.11737	5.7
403.16171	24.9
445.17111	6.0
475.18149	12.9
505.19424	50.1
526.27423	2.9
565.21350	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	565.251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55745	1.4
57.03452	78.0
57.19606	1.5
59.01384	100.0
61.64683	1.4
67.41068	1.5
71.01373	10.9
73.02940	7.7
78.22760	1.6
84.73550	1.7
85.02955	6.7
89.02448	3.6
94.32343	1.7
98.62534	1.7
99.04514	76.6
99.05164	2.5
101.02440	27.2
113.02415	4.3
115.16429	1.7
125.02428	29.4
143.03490	2.7
167.07974	1.8
304.35361	2.2
304.69806	2.3
360.77423	1.9
361.29205	2.4
377.21783	3.9
403.23563	3.3
419.22614	3.9
421.24396	9.7
445.24484	2.4
463.25516	16.3
505.33786	16.4
511.10239	2.2
521.25269	13.1
523.34839	1.9
565.24646	3.4
565.36096	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	565.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	46.5
57.63533	2.2
58.28822	2.1
59.01380	66.4
59.01655	4.6
59.98237	2.5
63.82036	2.2
66.69853	1.9
71.01381	32.4
73.02942	10.6
78.95908	5.7
85.02959	5.0
89.02439	69.6
92.22359	2.5
94.98086	3.1
99.00880	12.6
99.04504	24.7
101.02431	45.0
113.02429	19.8
119.03507	18.1
125.02402	21.2
131.03520	5.3
149.04587	5.7
191.05621	2.9
201.04599	2.5
207.09428	2.5
215.42914	2.6
221.96559	3.1
241.65099	2.6
246.31068	3.2
276.45160	2.6
369.50644	2.7
403.19794	11.4
421.20877	88.5
460.47214	2.5
463.21863	17.9
479.75235	3.2
565.25055	100.0
565.33575	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	565.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15135	1.7
52.33437	1.8
54.17179	1.6
57.03452	91.7
59.01383	100.0
71.01380	3.6
71.69411	1.6
73.02959	2.9
74.02466	1.8
85.02962	2.8
89.02444	2.2
92.23087	3.4
99.04511	94.8
101.02441	21.6
113.46741	1.8
116.92841	11.2
125.02457	38.5
132.04607	2.1
143.03453	6.8
144.04535	2.4
146.06093	3.6
175.08815	1.9
197.12956	2.2
219.07663	2.2
287.25919	2.1
301.10806	14.3
377.21811	7.7
410.37717	1.9
419.23001	10.7
505.33655	11.7
521.25909	20.0
565.23145	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	565.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03203	2.2
57.03452	45.1
59.01384	69.2
71.01380	36.3
73.02957	14.5
74.62759	1.4
78.95913	19.3
85.02935	8.3
87.00848	2.7
89.02440	68.7
89.28009	1.5
96.96905	6.9
97.02950	1.7
98.56919	1.6
98.58186	1.6
99.00864	12.1
99.03989	1.6
99.04523	25.1
101.01793	2.1
101.02442	49.6
101.57541	1.4
111.04514	1.4
113.02462	19.0
119.03509	16.8
125.02442	23.5
131.03459	9.3
138.97987	3.1
143.03445	2.7
147.05164	1.6
149.04486	9.2
157.54099	1.6
161.04552	3.2
179.05602	2.8
184.83475	1.5
191.05573	7.3
226.59831	1.9
233.06523	2.8
241.01242	4.6
260.24384	1.9
293.42252	1.5
316.63754	1.7
352.62692	1.5
403.19400	11.1
421.20850	90.0
463.22043	16.3
505.33875	2.9
565.24969	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2793
Annotation	Asp Gln Phe Arg
Peak:m/z	Relative Intensity
61.98837	9.4
63.65581	5.9
66.09264	7.1
77.42170	6.8
126.54932	7.4
133.83560	7.3
167.99672	7.5
196.01393	7.4
271.95599	6.9
416.92099	8.3
565.27570	100.0
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	Asp Gln Phe Arg
Peak:m/z	Relative Intensity
62.55497	6.2
63.20367	6.4
67.26085	5.5
69.65445	5.4
86.36149	6.4
91.07050	5.8
136.39122	5.7
182.53123	5.7
245.32132	5.9
565.27631	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68769	5.0
55.94063	5.2
61.98854	6.0
64.60659	6.5
65.30849	5.4
85.33178	5.4
90.91185	4.6
93.46897	5.6
130.52586	5.4
149.84642	5.5
271.98615	5.5
293.21442	7.3
329.83490	5.3
333.79752	6.4
505.35403	12.0
565.27826	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
160.89458	84.0
173.81172	76.4
187.07872	90.4
230.46411	100.0
259.42706	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	565.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89840	1.0
58.80490	1.0
59.01386	100.0
71.01388	13.5
73.02950	5.4
83.01360	1.8
85.02948	8.4
89.02436	2.0
99.00838	1.3
101.02426	13.1
113.02438	9.2
129.82185	1.0
161.04532	7.1
171.27930	1.2
297.47214	1.2
336.36063	1.1
343.22409	1.8
505.28189	46.6
565.30365	37.2
583.17493	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02690	0.7
59.01376	6.5
61.98826	1.0
71.01377	4.4
74.75802	0.8
79.60253	0.8
83.01392	0.9
85.02956	1.1
89.02430	7.4
89.39491	0.8
97.05154	0.7
99.08150	5.0
101.02418	6.9
113.02445	3.3
119.03478	1.9
125.09641	1.0
127.11253	1.1
161.04555	1.4
167.14447	1.2
171.10248	3.7
183.13867	6.8
184.42375	0.9
193.12347	1.6
209.11923	1.5
211.13416	58.1
229.14433	38.4
253.09294	38.4
293.21341	3.1
311.22250	4.3
329.23361	100.0
447.74051	1.0
491.28894	1.0
565.32477	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	565.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	15.9
64.13657	13.1
66.94401	10.7
68.45019	11.1
69.69031	12.3
71.28126	15.3
75.69496	12.3
80.96534	25.3
83.44141	11.9
94.98085	17.1
98.67694	13.2
105.20950	15.0
115.69629	14.4
116.92876	15.5
131.07384	13.2
164.98630	16.3
182.93939	14.1
188.36589	13.9
202.73839	11.7
225.00862	21.4
259.74792	12.7
299.34357	12.8
309.62006	12.9
331.40060	14.2
565.26331	100.0
578.24969	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	565.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	4.7
59.54980	3.3
59.56100	3.2
67.09750	4.2
74.50460	3.7
92.63810	4.0
108.65645	3.8
155.32964	4.3
171.75803	4.2
192.04463	4.2
204.84151	4.1
386.23184	4.7
565.32977	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	565.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.3
57.03449	26.5
59.01380	100.0
60.37181	1.0
71.01374	29.7
71.01726	1.4
71.65552	0.9
73.02943	5.2
75.00873	6.1
83.01377	4.8
85.02950	11.0
87.00813	1.1
89.02435	34.0
95.01402	1.2
99.00886	4.0
99.04504	26.6
100.25290	1.0
101.02442	28.9
111.00900	1.3
113.02451	17.0
113.03264	1.2
119.03504	11.7
125.02438	12.0
143.03442	1.4
159.03003	1.3
159.58380	1.0
161.04515	5.5
179.05586	15.3
371.87018	1.3
381.13544	1.1
403.26959	2.5
421.20810	1.6
421.28168	12.7
459.32813	1.2
463.29462	5.0
505.33884	86.9
539.77777	1.2
565.24072	4.5
565.31787	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	565.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.8
57.03449	22.9
58.11633	0.9
59.01382	69.3
62.47521	0.9
69.76408	0.9
71.01379	24.4
73.02944	12.3
80.78684	1.0
83.01378	5.1
85.02945	14.2
87.00864	1.8
89.02448	13.6
95.01358	2.5
97.02972	1.3
98.38445	1.2
99.00866	4.3
99.04515	21.9
101.02438	34.7
111.00898	2.5
113.02436	15.5
119.03513	4.7
125.02434	10.4
134.03709	1.1
143.03464	1.4
159.02951	1.8
160.01669	2.0
161.04503	1.4
165.97488	1.0
175.04022	11.1
176.04338	7.3
177.04497	1.3
179.05594	1.3
219.96576	1.2
229.18063	4.5
301.20212	2.2
377.21835	1.4
402.30966	1.3
403.27231	1.2
421.20673	1.1
421.28058	1.4
433.24432	2.3
505.33871	100.0
521.25977	2.4
565.25378	9.2
565.33258	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	565.3611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	16.7
58.63329	0.9
59.01383	70.4
66.41057	0.9
66.61395	0.9
71.01379	21.9
73.02946	5.2
73.60280	0.9
74.02498	1.7
83.01392	5.8
85.02946	11.2
89.02438	6.7
92.23114	1.3
95.01360	2.0
97.06556	1.0
98.09676	0.9
99.00875	4.4
99.04523	14.5
101.02431	19.2
111.00854	1.9
113.02464	12.8
125.02431	8.4
125.09715	5.2
126.10025	1.3
126.78018	1.1
128.05074	2.0
129.01947	1.1
131.03796	1.3
132.04555	1.7
135.52966	0.9
137.09702	1.3
144.04587	7.5
146.06114	7.4
153.32797	1.2
157.07655	2.4
158.06108	1.4
159.03004	1.5
161.04604	1.8
170.06378	1.2
171.13979	1.3
175.08795	1.3
179.05652	1.1
179.11897	1.7
186.11374	24.2
187.11754	8.7
187.13268	1.6
197.12988	2.2
219.07748	2.3
229.12070	1.2
229.18169	1.2
237.69881	1.0
358.24686	1.7
361.29568	4.8
374.17224	4.3
381.94510	1.3
463.25198	1.1
505.33902	100.0
523.35217	8.3
529.36792	1.6
565.23041	30.0
565.36462	15.8
591.62415	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
62.49972	1.9
63.87498	2.0
68.36080	2.2
112.18354	2.2
165.12883	3.8
183.13904	100.0
191.11003	2.4
192.22656	2.8
227.12927	3.7
255.23389	2.6
281.24869	97.2
301.16760	3.4
309.20779	2.4
316.08527	2.6
474.85168	2.6
504.00983	2.8
565.41077	68.1
581.83093	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	565.4453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30945	0.4
55.07235	0.4
56.59676	0.6
77.47987	0.5
130.86909	0.6
168.24200	0.6
178.78467	0.6
225.22256	68.2
253.21680	1.3
256.28549	0.7
271.22815	100.0
298.02344	0.7
386.58417	0.6
462.35175	0.7
565.44568	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	567.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00379	4.9
57.03467	53.5
59.01380	52.2
67.89729	7.0
71.01378	33.3
73.02936	27.2
75.89994	5.5
85.02956	29.1
87.00869	6.3
89.02428	12.3
89.41325	5.9
90.68929	6.4
92.05029	5.6
99.00868	9.5
99.04520	26.0
101.02424	61.5
113.02423	14.1
119.04955	11.8
125.02422	9.1
143.03528	7.3
145.02931	38.6
161.04503	20.6
163.03941	9.2
291.18115	60.4
340.49146	6.9
346.11847	7.2
420.15146	7.9
423.22342	100.0
465.23361	9.4
567.23218	83.5
567.25165	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	567.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.9
57.03193	1.3
57.03450	27.8
59.01107	1.1
59.01384	26.1
60.95918	0.7
66.07571	0.7
67.00789	0.8
71.01380	17.7
73.02590	1.2
73.02937	14.6
78.57240	0.8
78.90443	0.8
83.01392	1.7
85.02949	8.7
89.02454	6.6
96.56098	0.8
97.02944	1.2
97.36852	0.8
99.00905	6.6
99.04494	6.0
101.02440	40.5
113.02452	13.7
125.02419	4.4
126.41029	0.8
129.01974	1.2
131.03517	0.9
143.03545	1.5
159.02986	4.1
161.04550	19.1
199.13271	1.0
266.92847	0.8
291.18167	33.1
315.70264	0.8
405.21640	1.0
423.16666	1.7
423.22421	47.0
440.67728	1.0
465.23404	21.0
505.26740	4.7
567.26581	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	567.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	1.2
57.03449	54.2
58.39002	0.8
59.01380	77.0
69.82163	0.9
71.01009	1.7
71.01374	30.9
73.02935	12.0
83.01384	4.1
85.02934	12.6
87.00857	1.1
89.02438	24.2
90.73373	1.2
97.02946	2.1
99.00849	6.3
99.04509	60.2
101.02442	53.8
111.00833	4.3
113.02442	18.2
117.04433	1.2
125.02430	32.9
127.70847	1.0
128.52519	1.0
130.31441	1.0
131.03476	10.1
143.03468	6.9
145.02998	1.9
149.04549	3.9
157.98015	1.2
159.02966	1.6
160.77950	0.9
161.04587	15.0
222.24815	1.1
233.06592	1.7
291.18161	24.8
368.03592	1.2
405.21408	6.4
423.22394	88.1
465.23404	25.3
505.26553	1.1
523.27350	2.5
567.26550	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	567.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	36.0
57.72942	0.8
59.01111	1.2
59.01381	29.5
71.01013	1.2
71.01379	27.7
72.94454	0.7
73.02937	17.3
80.67847	0.7
81.03469	1.4
83.01381	4.8
85.02952	17.2
87.00858	3.4
87.79135	0.9
88.89684	1.0
89.02435	10.8
92.22594	0.9
97.02930	4.0
99.00879	6.8
99.04506	17.9
101.02435	52.9
111.00854	0.9
113.02433	17.2
115.04040	1.1
125.02436	14.2
129.12810	1.3
131.03508	2.8
143.03496	3.3
159.03020	5.5
161.04550	19.8
225.70982	0.8
233.06671	1.7
268.03671	4.0
281.04462	0.9
283.06186	14.2
291.18161	38.0
400.97876	0.8
405.21362	9.8
423.22388	80.5
465.23456	15.4
505.19516	1.3
507.35397	7.8
553.45667	0.8
567.26636	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	567.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21324	0.4
56.37690	0.5
57.03448	0.9
57.34189	0.4
59.01376	3.3
71.01383	1.1
80.96503	0.9
83.05021	2.1
89.02423	1.9
99.00884	0.8
99.04514	1.0
101.02480	0.7
101.47771	0.5
111.08154	45.1
113.02401	1.0
114.95599	0.5
119.03267	0.5
119.47620	0.5
129.09158	0.6
130.11996	0.5
130.67615	0.6
146.15266	0.5
160.98720	0.6
165.65385	0.7
173.08188	100.0
177.62311	0.5
189.43213	0.6
223.98341	0.6
225.00755	0.6
393.17767	3.9
393.22150	0.6
411.15579	0.7
529.34692	0.6
531.24457	0.8
567.17590	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	567.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40757	7.4
57.03444	14.7
65.43089	9.4
76.89214	8.5
83.99321	8.1
99.04504	16.8
111.94732	8.8
120.45840	9.9
125.02439	12.5
170.33046	10.2
187.45042	9.0
190.94954	9.3
234.60875	9.2
250.02042	12.5
262.82330	9.5
451.59491	9.9
567.34796	100.0
577.28619	11.2
591.88232	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	567.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31488	1.0
51.67521	1.1
53.89271	1.1
57.03446	5.7
59.01385	28.3
60.24232	1.3
61.98840	1.2
74.45690	1.1
83.05021	3.3
125.09686	5.8
151.11292	6.9
245.19118	3.1
247.16994	3.2
263.20172	15.1
287.19907	1.8
289.21762	19.4
290.31781	1.5
307.22803	18.1
313.25903	1.4
404.69608	1.4
415.32129	5.2
417.42215	1.5
507.36935	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.35
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59397	1.5
61.98833	100.0
74.63696	1.7
79.47042	2.1
112.30077	1.8
112.34737	2.0
115.88013	2.0
124.62331	2.1
129.35342	1.9
144.94522	1.7
178.14076	1.9
235.33287	2.4
568.29889	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	568.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60933	0.7
62.28893	0.7
86.74152	0.8
97.06585	1.8
111.08160	3.1
125.09715	45.2
152.99620	1.6
162.55405	0.8
167.14397	14.0
169.08655	1.6
172.09804	1.1
175.61282	0.7
186.11357	33.2
211.13412	27.1
228.16043	23.8
229.14453	14.0
247.33344	0.8
278.21567	0.8
320.26071	1.0
322.20154	3.1
339.22903	23.4
364.25150	1.0
371.92178	0.8
381.27545	16.6
395.29245	1.3
472.07245	0.8
485.35693	0.8
524.30310	0.8
568.39771	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	568.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78991	0.7
53.45927	0.8
53.96028	0.8
55.10150	0.8
57.03439	0.8
61.22842	1.0
67.41236	0.8
69.65174	1.0
97.06583	1.6
111.08133	2.0
125.08831	1.9
125.09708	52.4
139.11284	10.9
147.63986	0.9
153.12851	8.1
169.08804	1.1
177.03825	1.1
178.97516	1.2
183.10237	6.1
186.11378	30.4
197.11844	15.3
200.12978	9.2
214.14471	17.0
215.12924	5.5
236.83607	1.0
320.25906	1.8
336.22003	1.2
353.24573	13.2
364.24878	1.4
367.25970	5.0
381.27658	20.7
568.39716	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4951
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64085	0.5
60.04531	2.8
66.09322	0.5
72.04532	1.5
73.02934	3.5
77.44988	0.5
77.58009	0.6
82.42876	0.6
84.04532	0.6
86.02460	0.9
88.04038	4.9
97.02935	1.4
98.03706	2.8
119.75589	0.8
159.40871	0.7
223.20630	6.2
225.22247	56.2
253.21748	20.0
255.23488	0.9
264.23257	0.6
265.21725	2.8
266.24823	3.9
270.24377	4.3
271.22827	19.4
278.24878	1.5
282.24414	1.4
296.25897	2.7
306.24506	0.8
312.25403	1.5
314.26956	7.7
326.26987	3.8
339.74902	0.6
365.17032	0.7
408.78345	0.7
454.17682	0.7
527.84949	0.7
568.49530	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4952
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04547	1.1
65.65778	0.8
73.02937	5.5
88.04029	4.8
98.03722	3.4
116.52059	0.8
172.12265	0.8
223.20686	5.7
225.22232	46.7
235.20766	1.2
253.21683	16.4
265.21832	2.0
266.24814	1.9
270.24368	2.0
271.22821	16.8
296.26019	1.6
314.26987	5.2
326.27042	2.0
330.64212	0.9
332.50330	0.9
373.11874	1.0
492.22101	1.0
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	569.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07808	1.8
57.03471	2.2
58.81662	1.9
59.01381	100.0
64.64146	2.5
67.85116	2.5
69.77904	2.2
71.01371	14.5
73.02928	5.1
78.55488	2.1
80.27327	2.1
81.03464	2.9
83.01350	2.6
83.05000	4.5
85.02941	38.4
89.02423	4.6
93.03468	10.2
95.01366	17.2
99.00871	2.7
99.04489	4.8
101.02422	11.4
105.20335	2.3
109.02939	14.2
111.00864	12.1
113.02444	15.9
127.03985	30.2
137.02400	5.9
139.00381	22.4
145.05051	4.5
155.03537	4.7
163.03973	9.9
163.06143	3.1
165.05542	10.7
172.58369	2.6
174.00906	2.4
178.02705	4.6
181.05078	15.6
193.05023	16.4
194.43184	2.5
199.02458	21.8
209.35963	2.5
211.06171	5.2
233.07147	3.3
240.23694	2.8
285.06110	3.5
345.08231	16.2
377.12567	2.6
387.09402	26.7
405.10510	36.3
465.12488	5.5
551.16376	18.9
569.17120	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	569.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	56.2
57.50732	0.6
58.50979	0.7
59.01387	9.5
60.79959	0.7
61.12332	0.7
61.98325	0.6
71.01377	0.8
71.05017	19.0
71.71256	0.7
73.02943	4.0
81.03440	2.7
81.42743	0.7
99.04508	67.2
101.02444	14.1
105.03440	0.8
107.05066	0.8
113.02425	0.7
121.02959	14.9
123.04542	1.3
125.02435	46.6
129.74081	0.8
134.03738	29.6
135.04509	1.4
143.03510	3.8
147.00896	4.2
149.09714	4.8
161.02432	26.1
177.09216	6.1
189.01924	5.7
209.74318	1.0
221.08197	100.0
230.50525	0.8
285.22882	0.7
347.09863	4.3
384.14804	1.0
391.26944	0.8
569.18518	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	569.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47402	2.2
52.65773	1.8
59.01381	42.2
65.83612	1.8
68.99819	31.8
70.46678	2.2
71.01376	20.0
85.02965	3.8
89.02438	37.5
96.96004	3.4
101.02433	87.7
111.08121	4.3
113.02441	14.3
119.03497	3.1
163.09081	2.4
171.67737	2.5
173.08148	4.1
176.03510	9.4
179.05658	4.5
184.07759	4.1
186.09186	4.7
204.03030	34.9
212.07191	13.7
214.07448	4.3
223.15364	2.7
227.08325	10.8
229.09825	80.3
240.05432	11.4
253.09827	13.3
255.07751	58.8
273.08862	100.0
280.06079	7.8
281.09265	10.3
297.08823	10.1
308.05734	11.0
325.08362	14.6
339.09845	2.9
354.70831	2.7
409.16150	12.6
435.14166	60.7
453.15121	10.0
467.16931	4.2
505.14749	50.0
519.16406	3.7
537.17383	44.6
569.19885	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	569.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.6
59.01381	20.3
68.94754	0.5
68.99782	0.5
71.01376	14.4
72.99298	3.0
73.02928	0.6
75.00864	9.9
80.08961	0.5
85.02947	12.0
87.00869	3.0
89.02439	12.7
94.27547	0.5
95.01383	3.6
99.00863	5.8
101.02437	8.7
103.00332	1.0
113.02432	17.8
115.00372	0.6
117.01932	2.5
119.03508	5.3
127.07647	0.6
129.01910	0.9
139.07635	8.8
145.31285	0.5
157.08675	2.2
169.98798	0.5
175.33281	0.5
249.06134	7.0
257.95505	0.5
267.07147	2.3
269.33060	0.5
319.14038	10.0
355.06610	0.6
376.86948	0.5
466.66052	0.6
474.66525	0.6
569.20984	100.0
582.83789	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77179	0.4
52.72162	0.4
57.03448	4.4
59.01376	5.5
60.66267	0.5
61.12238	0.6
61.98824	0.8
71.01369	3.7
76.33444	0.5
89.02441	5.1
92.22555	0.8
97.18401	0.5
99.00858	0.8
99.04506	5.3
101.02434	2.8
103.27523	0.5
117.03456	4.8
125.02416	2.7
132.02072	0.7
134.03735	98.5
149.06064	14.4
160.01639	11.9
175.02597	0.9
175.04002	19.0
193.05064	100.0
239.11606	0.6
425.06866	1.0
493.20688	0.6
569.22321	39.8
569.29480	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	569.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97993	0.9
57.03455	19.1
58.56697	0.9
59.01108	1.4
59.01384	30.8
63.58269	0.8
65.25373	1.1
65.54471	0.8
71.01387	7.8
72.99288	2.4
73.02937	1.8
75.00863	10.9
78.91878	1.5
81.03484	1.0
81.19021	0.9
85.02946	13.9
87.00853	6.1
89.02436	1.9
95.01366	5.2
99.00892	10.6
99.04509	22.9
101.02476	7.4
103.00378	1.1
103.02924	1.0
104.00015	1.2
113.02445	22.3
117.01923	2.5
119.04971	1.4
125.02443	9.2
129.30724	1.1
134.03738	18.1
134.69121	1.0
143.03607	1.2
143.10768	91.3
143.74686	1.2
149.06116	2.1
160.01624	7.4
161.04501	1.3
163.03946	2.0
175.02567	1.8
175.03987	14.3
193.05095	14.9
231.04945	1.7
249.06039	15.7
260.49200	1.2
319.47827	1.2
326.76138	1.2
351.07404	1.2
366.09464	1.2
393.17700	39.3
436.84436	1.1
569.22351	100.0
569.29425	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	569.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	14.9
71.01383	9.6
73.02922	2.8
74.02391	1.2
74.35596	1.2
74.64915	1.1
85.73166	1.2
89.02454	13.6
92.22507	1.7
93.04186	1.4
99.00826	1.6
101.02446	10.3
110.20123	1.2
113.02415	6.6
119.03490	1.9
125.02387	2.4
165.12802	2.2
171.08887	2.2
171.10272	57.0
183.13795	5.1
209.11763	5.4
227.12901	45.9
235.08315	3.0
241.14441	4.4
245.13957	100.0
253.09003	1.6
269.13870	7.8
287.15027	19.0
383.10358	1.4
397.13538	31.7
407.19394	12.0
415.14740	11.9
504.40869	1.5
551.22772	1.5
569.24353	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	569.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
57.03458	0.7
59.01382	38.0
63.20175	0.5
64.95361	0.5
69.03458	0.7
71.01377	15.4
72.99284	0.6
73.02946	8.2
83.01381	3.4
84.90192	0.6
85.02947	6.9
87.00887	1.1
89.02428	8.2
92.22406	0.8
95.01373	1.0
96.96024	0.9
97.06563	0.6
99.00854	2.3
99.04523	0.9
101.01772	0.9
101.02438	19.1
106.06904	0.5
113.02443	10.6
119.03464	2.7
125.02452	1.1
143.03458	0.6
151.07643	0.7
152.01134	0.8
152.93399	0.6
157.49065	0.6
161.04578	2.4
161.47246	0.6
184.39294	0.6
234.65343	0.7
275.20197	3.3
285.18591	1.2
303.19678	3.3
321.20566	1.0
335.02557	0.7
347.18777	2.4
509.23984	7.6
527.24719	6.4
569.26086	100.0
569.33240	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	569.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89133	0.4
57.03451	8.8
59.01379	9.7
71.01384	3.3
73.02946	0.9
75.00882	0.4
76.94318	0.5
83.01396	0.8
85.02939	2.0
87.00906	0.7
89.02432	0.7
93.72838	0.5
95.01411	0.7
97.96627	0.5
99.00900	1.3
99.04514	10.5
101.02433	5.5
113.02438	3.6
117.03478	1.2
119.05014	59.9
125.02424	5.0
134.03784	2.1
143.10748	6.9
145.02954	22.1
161.04649	0.9
163.04005	100.0
175.04045	1.1
193.05199	0.7
249.06300	0.8
291.18329	0.8
390.97693	0.5
393.17886	3.6
405.21423	0.8
569.26245	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	569.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03050	0.4
57.02996	0.5
57.03461	5.4
59.01386	6.2
60.63864	0.5
71.01358	3.1
73.02946	1.2
79.52529	0.6
85.02943	0.7
99.04502	6.1
101.02458	4.0
113.02421	2.0
117.03448	2.5
119.05018	66.0
125.02415	1.3
145.02950	24.3
161.04556	0.9
163.04010	100.0
291.18231	0.9
302.29422	0.6
446.03729	0.7
527.99878	0.7
569.26056	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	569.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
64.93583	0.5
70.54471	0.5
78.78635	0.4
109.46355	0.5
115.93464	0.5
122.32593	0.4
132.75031	0.6
165.05466	0.5
216.10815	0.6
277.21713	7.9
332.69998	0.5
426.34863	0.6
473.68674	0.5
569.37445	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99041	0.3
59.01829	0.2
60.22969	0.3
61.23231	0.3
61.98840	0.3
62.29038	0.3
79.12966	0.4
127.44241	0.3
142.12393	0.4
167.14406	6.9
170.11879	8.1
172.09795	0.8
184.17020	0.5
210.15041	2.1
211.13419	16.2
217.80539	0.4
228.16052	100.0
229.14494	8.1
381.27640	0.5
399.28662	8.0
402.31424	0.4
570.41614	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	571.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98259	0.5
73.16055	0.5
75.36003	0.5
86.85516	0.5
99.66084	0.5
102.96196	0.5
103.31858	0.4
103.60500	0.5
108.02164	24.0
109.02933	4.5
137.43057	0.5
146.30493	0.5
151.04018	1.8
152.01155	44.3
153.01930	30.6
163.04008	0.9
165.01910	1.1
176.36345	0.6
217.16223	0.6
285.06186	100.0
370.29041	0.6
466.42966	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	100.0
59.01382	80.4
59.55666	1.6
59.82339	1.5
63.38067	1.6
64.19984	1.4
65.17619	1.7
71.01377	26.3
73.02937	45.2
75.87687	1.4
81.03445	2.9
83.01392	8.9
85.02953	6.7
89.02441	3.9
96.96000	3.3
97.02981	2.0
99.00859	2.2
99.04511	89.8
101.02435	51.4
113.02409	15.1
116.23705	1.7
123.04535	2.0
125.02433	48.8
128.37186	2.0
138.00069	1.6
143.03494	16.3
143.04459	1.8
148.72783	1.5
149.04594	2.0
152.01126	9.4
161.04585	21.9
179.07123	10.5
189.04263	2.0
203.05582	20.2
221.06775	12.9
231.85580	1.7
263.07782	2.2
365.11212	8.8
451.22198	2.4
527.17633	6.9
571.16974	9.5
571.32416	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	571.24
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	44.2
58.06821	0.8
59.01384	73.2
71.01380	8.3
73.02950	8.2
78.11710	0.8
81.03460	1.6
83.01382	1.4
87.72024	0.9
96.96005	5.4
97.02972	1.1
99.04514	100.0
101.02441	17.3
113.02422	5.3
125.02434	51.1
129.20538	0.9
131.03468	1.0
139.07632	1.4
143.03511	5.2
151.07622	5.1
152.08435	9.4
153.09212	30.1
165.05534	1.3
183.83548	0.9
203.05638	1.0
205.12366	10.6
223.13399	5.4
352.89896	1.0
367.17657	4.5
409.18658	8.2
427.19818	29.4
469.20773	24.8
527.24976	16.2
571.24091	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	571.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42060	0.7
51.96992	0.6
57.03435	0.9
61.27729	0.7
63.38903	0.6
72.00916	0.9
73.15796	0.7
74.02471	25.6
82.23905	0.7
98.02480	1.0
99.04566	0.9
116.05051	19.0
137.09715	4.8
142.06604	4.9
159.09251	7.5
176.10812	0.9
180.10301	3.5
186.05573	1.5
194.11877	24.1
198.11343	0.9
203.08272	39.6
222.11412	0.8
238.10756	5.4
251.14003	1.2
295.17923	0.9
323.17566	5.6
354.21609	1.0
367.16620	1.3
571.25677	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20130	3.1
55.39555	3.1
59.01376	6.5
67.45168	3.2
69.46757	3.2
74.02458	15.8
74.40043	3.5
75.37840	3.0
81.79082	3.5
94.61176	3.6
98.02467	6.2
99.04487	4.4
106.97746	4.3
114.61663	3.8
128.26549	3.6
166.08694	16.5
166.34265	4.4
171.04147	5.8
187.08690	7.1
205.09824	100.0
217.09924	5.3
249.08728	14.2
281.11404	34.7
410.17291	71.3
422.17471	8.4
442.19882	27.2
550.89948	4.0
571.08319	4.9
571.25531	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	571.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20180	0.9
59.01382	2.6
74.02470	20.2
84.00922	1.2
98.02467	7.3
99.15958	1.2
113.67671	1.2
114.01939	2.6
116.05018	5.9
120.08172	5.4
122.09766	2.1
128.24957	1.2
150.05568	1.3
152.07152	1.7
161.10818	2.2
163.08783	1.2
164.07089	1.2
166.08731	14.2
171.04137	5.9
175.33823	1.1
177.10298	5.4
178.08694	1.1
187.08737	6.5
203.08292	5.2
205.09833	100.0
207.40817	1.1
207.43105	1.3
217.09769	9.8
237.12460	2.1
249.08842	13.0
281.11429	32.9
305.30969	1.3
334.27557	1.2
366.18213	2.9
410.17224	58.8
422.17291	13.3
442.19769	22.9
539.22986	5.3
571.25586	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	571.274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.31607	0.5
72.68283	0.5
98.37860	0.7
99.92603	3.1
100.93360	28.0
104.85597	0.7
115.92068	100.0
116.92832	2.6
150.82950	0.5
221.62094	0.6
264.43863	0.5
498.32959	0.7
527.28528	0.6
536.10632	0.7
538.67072	0.7
571.27441	23.6
571.43634	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	571.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43786	0.4
55.70067	0.4
58.79400	0.3
63.15426	0.5
82.52084	0.4
97.21311	0.4
99.92569	2.6
100.70457	0.4
100.93355	26.9
107.18932	0.4
113.92587	0.5
115.92065	100.0
116.92852	2.4
132.92349	0.8
134.61577	0.4
139.75510	0.4
177.95357	0.4
187.06863	0.4
225.22342	0.5
509.27274	2.1
571.27356	20.4
571.51349	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04965	1.5
61.67476	1.3
78.01399	1.5
78.95898	18.8
92.23172	2.9
96.96972	3.8
99.04537	1.4
152.99590	70.4
171.00716	1.9
223.00116	9.7
241.01221	24.2
255.23296	99.8
315.04846	5.9
381.10846	1.6
571.28979	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	571.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01402	0.6
65.94197	0.5
78.95892	21.6
83.79234	0.5
96.96941	7.5
99.65518	0.7
106.52618	0.6
134.01425	0.6
152.99577	57.4
182.66447	0.7
213.34232	0.7
223.00067	1.4
240.98683	0.6
241.01192	32.2
255.23299	100.0
315.04874	5.5
324.69312	0.8
427.39606	0.6
571.28955	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	571.2893
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
52.34145	0.5
55.23204	0.5
59.18792	0.6
67.87392	0.6
78.95905	22.3
90.96853	0.6
96.96946	4.2
97.55085	0.6
98.05367	0.7
101.10640	0.7
110.32719	0.7
143.29251	0.8
152.99580	52.1
234.80942	0.6
241.01176	34.3
252.08737	0.8
255.23303	100.0
315.04944	10.2
316.54425	0.7
355.53510	0.7
391.22311	1.4
449.80652	0.8
571.28943	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	571.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
59.20748	0.5
98.97626	0.6
121.05687	0.5
169.03896	0.7
186.11392	0.9
214.14493	2.9
450.17419	0.7
511.72366	0.6
547.00671	0.6
552.48029	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	572.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	10.8
59.01376	1.9
70.02972	7.0
84.10448	0.4
91.05530	9.5
99.08193	0.4
146.13588	0.4
147.04523	16.5
160.12630	0.4
164.07173	79.0
206.08234	100.0
221.88376	0.5
235.11974	0.7
236.23566	0.5
250.07210	4.5
277.12970	0.8
356.32327	0.5
466.28635	0.5
566.13751	0.5
572.20074	0.6
572.30200	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	9.4
59.01381	1.8
59.14436	0.8
70.02986	7.3
81.16526	0.9
91.05518	8.2
96.96011	1.1
114.45525	0.9
147.04533	17.5
164.07173	67.5
174.05586	2.1
193.92860	0.9
206.08223	100.0
250.07233	4.3
307.97241	1.1
315.16980	1.0
315.63058	1.2
449.27719	1.1
528.94318	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	20.7
63.37206	4.6
64.56366	3.3
78.34936	3.9
84.90749	3.7
91.55681	4.2
95.84502	3.8
113.03593	6.4
128.13544	3.8
130.06219	9.2
144.07840	8.0
190.48172	4.1
201.09955	4.9
213.10052	4.6
226.21771	16.9
261.09546	4.2
270.12158	4.4
283.23993	6.0
311.58749	4.5
322.25140	7.1
340.26117	7.2
572.32990	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44663	1.2
57.36548	1.4
59.01383	2.4
61.98832	100.0
103.43837	1.3
105.01758	1.5
126.86464	1.4
136.27081	1.5
245.49701	1.8
307.42508	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	573.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89435	0.4
56.99564	0.4
59.01374	1.8
60.29567	0.3
69.14626	0.4
71.01357	0.4
72.53189	0.4
79.12334	0.5
96.95987	1.6
101.02431	0.4
105.25233	0.4
113.02470	0.5
116.07164	0.7
127.05168	0.5
134.03729	19.2
135.04477	1.0
137.02444	2.5
145.46942	0.5
149.06078	22.0
166.06157	0.9
178.02708	32.1
179.03493	2.5
193.05061	100.0
215.14099	0.5
243.11012	1.9
249.84286	0.5
394.76270	0.5
397.11411	5.3
400.22116	0.5
443.78375	0.4
475.15018	0.5
487.14532	3.1
499.25290	0.8
529.15680	54.7
573.29126	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	573.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24506	0.5
57.03444	1.2
59.01379	4.8
59.38680	0.5
68.19771	0.6
71.01389	0.9
73.02947	1.3
93.03454	25.5
99.04525	2.4
101.02394	0.7
110.95522	0.6
115.24419	0.5
125.02415	1.2
137.02444	100.0
161.04552	0.7
162.02390	0.6
221.72510	0.6
235.11893	1.3
266.01993	0.6
272.74362	0.7
367.16000	0.6
374.87167	0.6
465.64719	0.7
478.92303	0.6
492.22729	1.0
529.19269	21.5
573.21063	0.7
573.36536	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	573.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.0
59.01375	8.7
62.00935	1.1
66.92287	1.0
71.01361	5.1
74.02469	15.0
84.04527	1.5
85.02943	2.1
86.02455	5.4
89.02406	1.3
92.05033	2.4
93.03434	3.8
98.02447	4.9
101.02394	2.9
101.48900	1.1
109.06555	2.7
116.05035	1.7
122.09721	7.5
124.04018	1.4
131.03702	2.6
132.04543	21.8
134.09750	2.0
137.02452	11.8
139.53806	1.1
144.04480	5.7
145.80267	1.4
148.07611	2.2
151.10896	1.2
157.07687	9.6
158.06122	8.2
165.10251	1.3
166.08687	2.1
170.85287	1.1
175.08743	8.9
191.08284	1.6
191.11835	6.3
192.06613	5.7
201.06657	2.0
203.08284	10.0
205.09764	2.6
217.09674	5.8
219.07777	11.9
235.08675	1.7
235.10884	39.8
239.60114	1.3
299.05524	1.6
368.16074	4.9
440.18027	2.4
541.21198	1.7
555.22668	1.6
573.23297	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.0
59.01375	8.7
62.00935	1.1
66.92287	1.0
71.01361	5.1
74.02469	15.0
84.04527	1.5
85.02943	2.1
86.02455	5.4
89.02406	1.3
92.05033	2.4
93.03434	3.8
98.02447	4.9
101.02394	2.9
101.48900	1.1
109.06555	2.7
116.05035	1.7
122.09721	7.5
124.04018	1.4
131.03702	2.6
132.04543	21.8
134.09750	2.0
137.02452	11.8
139.53806	1.1
144.04480	5.7
145.80267	1.4
148.07611	2.2
151.10896	1.2
157.07687	9.6
158.06122	8.2
165.10251	1.3
166.08687	2.1
170.85287	1.1
175.08743	8.9
191.08284	1.6
191.11835	6.3
192.06613	5.7
201.06657	2.0
203.08284	10.0
205.09764	2.6
217.09674	5.8
219.07777	11.9
235.08675	1.7
235.10884	39.8
239.60114	1.3
299.05524	1.6
368.16074	4.9
440.18027	2.4
541.21198	1.7
555.22668	1.6
573.23297	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71481	0.6
59.53399	0.6
74.02470	8.1
86.02464	4.0
92.05032	1.0
94.55045	0.7
98.02459	1.3
99.02000	1.4
109.06567	3.5
116.05033	0.9
120.08201	1.9
122.09750	3.9
131.03777	5.3
132.04546	16.6
144.04539	3.1
148.07645	2.9
157.07695	14.6
158.06155	8.4
164.07118	0.9
165.10338	1.6
166.08713	10.5
175.08754	13.1
189.10361	0.8
191.11893	6.3
192.06644	1.8
196.83200	0.8
201.06715	3.7
203.08305	7.6
205.09770	1.6
209.09448	1.7
217.09776	1.3
219.07755	10.9
235.10863	11.7
372.67435	0.9
422.17020	1.2
440.18423	1.4
476.18735	1.0
573.23627	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
60.64680	1.9
66.08794	1.5
68.48407	1.4
99.92590	27.6
100.93362	8.5
101.97856	1.6
115.92041	19.3
116.92837	32.9
142.18562	1.8
159.24971	1.5
193.16614	1.8
233.96352	8.3
234.97050	2.0
237.95985	2.1
251.97263	17.1
252.98174	2.8
353.28226	1.9
381.31689	2.7
381.35999	2.2
383.33228	3.3
461.83157	2.0
464.70575	1.9
500.26367	1.8
511.25317	2.9
529.26636	3.8
555.24127	2.6
573.25323	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09848	0.7
57.03161	1.2
57.03452	70.6
59.01382	78.6
59.92950	0.8
70.41893	0.8
71.01382	3.9
73.02934	1.9
74.61115	0.8
77.18670	0.8
81.03458	1.5
81.29434	0.7
83.01400	1.2
87.00887	0.8
89.02440	3.9
93.38618	0.9
96.96011	1.8
99.04513	100.0
100.11947	0.9
101.02439	15.8
113.02428	4.5
125.02436	44.0
142.53336	0.9
143.03534	6.3
189.12752	1.7
191.81390	1.1
207.13837	1.6
351.21301	1.4
374.27954	0.9
429.21353	5.8
471.22308	7.3
511.25766	1.5
529.26379	1.9
556.91760	1.0
573.25574	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	573.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	42.7
59.01382	92.2
71.01384	19.0
73.02937	19.1
83.01382	3.4
85.02953	3.3
89.02436	9.3
91.42607	1.3
99.04517	63.7
100.72079	1.4
101.02446	27.5
108.02207	1.9
111.08128	2.6
113.02441	18.0
119.03466	3.3
125.02437	37.8
128.72231	1.4
131.03525	1.6
143.03513	3.4
152.01147	27.3
152.08423	6.8
161.04524	6.0
173.08182	2.9
173.47003	1.5
199.83859	1.6
215.35315	1.3
225.15088	3.5
286.42834	1.6
325.13287	1.7
367.13715	2.0
369.19263	16.4
387.20212	14.7
399.09128	5.9
411.20062	12.5
429.21390	100.0
467.98199	1.5
471.22458	27.1
503.31393	1.5
529.26581	3.4
573.17340	17.5
573.25916	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	573.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.4
78.69843	0.4
86.31506	0.4
109.06590	2.5
121.23289	0.4
127.07645	100.0
134.03735	1.8
159.18791	0.5
163.03926	0.5
171.06635	60.8
193.05014	3.6
245.83215	0.5
304.05478	0.4
309.08270	0.4
508.12131	0.5
573.25659	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89964	1.7
56.40662	2.1
57.03443	1.5
59.01391	3.7
63.67645	1.6
74.02470	50.2
88.04047	3.1
91.31357	1.5
108.34602	1.7
111.08179	6.4
116.05068	9.4
128.43024	1.8
134.09715	3.1
145.06306	2.1
150.09242	3.7
150.45383	1.6
154.08730	4.1
163.12392	9.8
168.10324	3.7
171.04134	28.6
172.09821	12.5
180.10390	3.9
186.11427	2.2
189.10442	2.3
195.15163	1.9
203.08215	4.0
207.11385	59.4
208.09857	2.8
212.15401	2.5
217.09854	12.8
219.11362	4.3
228.96359	1.7
239.14009	18.6
251.10387	100.0
283.12997	35.6
302.36301	1.7
336.17282	6.1
368.19727	7.7
412.18829	78.3
424.18805	18.7
444.21362	38.9
541.24567	3.8
573.27319	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	573.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49529	2.6
92.22545	4.3
98.84825	3.3
100.93367	26.2
115.92069	100.0
130.34247	3.7
132.28111	3.2
177.63591	3.9
208.05231	3.2
210.88963	3.2
279.23273	5.3
307.28952	3.7
436.17697	3.9
573.28864	19.4
573.44971	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	573.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91051	0.7
53.61011	0.7
54.33447	0.7
56.95472	0.7
57.63965	0.6
61.76094	0.8
74.73838	0.8
80.31061	0.7
83.32793	0.7
97.53814	0.8
99.92596	1.8
100.92759	1.0
100.93355	28.6
112.65498	0.9
115.92065	100.0
116.92846	3.6
132.92343	1.1
179.39731	0.8
529.30261	1.2
555.27655	1.0
565.54535	0.9
573.29010	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	573.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78339	0.4
59.01383	11.0
71.01375	1.7
85.02991	0.5
89.02440	2.4
92.22542	0.7
101.02444	4.1
107.55370	0.4
113.02446	1.1
117.27322	0.4
119.03465	0.8
131.79982	0.4
135.74973	0.4
143.03462	0.4
161.04599	0.5
197.97856	0.4
210.51620	0.5
235.08487	0.5
253.09300	11.5
277.21738	100.0
513.30707	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	573.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25333	0.3
59.01379	8.1
71.01378	0.7
75.83008	0.5
80.43233	0.4
85.02958	0.6
89.02429	2.1
101.02444	2.8
119.03481	1.0
161.04520	0.6
234.36603	0.5
235.08275	2.4
246.46223	0.6
253.09302	10.1
259.20581	0.6
277.21744	100.0
312.94247	0.5
343.77548	0.5
477.45358	0.7
513.30597	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	573.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90507	2.2
56.96537	1.8
59.01382	9.0
66.23349	1.9
71.01379	3.0
72.00930	2.3
85.02967	2.7
89.55532	2.1
95.20160	2.1
99.00879	41.0
99.08154	8.5
110.97609	2.6
116.03556	18.4
118.05076	25.0
132.32892	2.1
146.11121	2.5
168.10365	2.2
171.10283	5.0
192.15184	3.7
201.11383	5.1
206.11801	3.2
208.13422	11.5
209.13077	3.1
230.13025	2.3
236.14017	54.0
248.14134	3.0
266.15067	13.0
287.46088	2.3
324.98935	2.3
440.27841	11.5
541.32501	100.0
573.25507	31.9
573.34900	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	573.357
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84685	56.0
58.05514	64.3
77.00101	62.7
89.92708	53.9
90.47916	68.7
96.84707	81.4
97.79243	60.5
100.06844	63.2
102.46325	61.1
111.28380	70.4
111.56390	63.4
119.85537	68.2
121.46605	62.6
140.86554	67.6
454.97229	69.2
573.35602	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79935	0.8
65.64178	1.1
80.17122	1.0
103.05613	1.1
105.80640	1.2
113.19997	1.2
165.12868	8.7
168.55783	1.2
183.13895	100.0
197.41762	1.5
227.12891	5.8
235.20694	4.8
253.21762	18.6
301.16559	41.1
378.89706	1.1
537.37976	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	573.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58477	1.1
61.98816	2.1
97.06591	4.9
99.08163	1.3
123.08169	1.6
124.43372	1.3
125.09715	74.1
167.14421	1.5
171.10284	5.6
183.13924	1.8
187.09776	55.1
194.47836	1.3
211.13405	27.4
229.14450	16.6
261.13510	5.9
287.99814	1.4
293.21127	1.9
329.23355	29.4
352.71655	1.3
470.37067	1.2
573.36530	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	573.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22545	0.5
59.01382	100.0
95.81669	0.6
100.25544	0.6
120.92962	0.6
277.21783	3.9
310.58868	0.6
413.17609	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
87.18046	77.8
96.05296	75.0
126.17213	73.2
126.35506	74.3
285.99585	100.0
293.84280	93.9
455.56284	95.2
470.24622	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	575.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61576	0.2
57.03452	2.3
59.01389	2.6
71.01377	0.3
75.50658	0.2
85.02948	0.3
85.03848	0.2
88.08285	0.2
89.02395	0.2
97.02950	0.2
99.04501	2.5
101.02437	0.8
123.04488	0.2
125.02435	1.3
139.04005	0.4
150.53093	0.2
165.01935	4.7
165.12849	0.2
178.99867	0.3
183.13815	0.4
193.01460	0.4
227.03403	0.3
227.13025	0.3
240.04362	0.2
251.29790	0.2
251.32257	0.2
255.03012	8.8
256.03912	0.3
269.04602	1.1
270.05356	0.3
271.06213	1.7
283.02496	100.0
283.26297	0.5
284.03238	2.4
285.07645	0.3
297.04092	0.3
298.04843	77.1
298.95111	0.2
299.05646	7.4
311.05975	0.6
312.06656	0.3
313.07413	0.4
338.04642	0.3
339.05157	0.8
353.06549	1.5
355.08246	0.5
383.07681	0.3
387.20383	0.2
399.07047	0.4
431.19037	0.3
443.09888	0.5
473.27927	0.2
575.14148	70.6
589.87445	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.9
71.01363	4.7
72.88066	0.8
77.20197	0.7
80.15764	0.6
85.02940	1.7
89.02422	1.7
89.34446	0.8
93.03448	6.6
99.00874	3.7
101.02473	1.2
113.02435	7.5
114.01965	0.9
125.80711	0.8
134.03731	16.9
137.02444	26.8
149.06094	12.0
154.09859	1.3
161.04549	1.7
166.13895	0.8
175.04005	21.1
178.02747	0.8
191.05414	0.8
191.07219	1.9
193.05064	100.0
195.45168	0.8
206.05949	1.0
207.06569	1.1
221.08163	8.2
235.06030	6.0
265.07184	15.6
273.35553	0.9
281.06793	1.4
293.61731	0.8
307.08331	5.4
325.09314	6.2
367.10364	10.1
409.11502	1.6
413.11044	7.3
431.11987	9.5
455.11981	9.6
535.86212	1.0
557.15070	11.5
575.16248	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	575.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	8.2
68.99817	1.0
71.01366	6.4
72.99310	1.4
73.02989	1.1
73.04068	2.0
75.00868	8.4
85.02937	12.7
87.00858	4.2
89.02423	3.9
95.01362	4.0
99.00883	8.5
113.02444	19.2
117.01912	1.1
119.05015	24.5
128.03479	1.3
129.01939	1.6
145.02954	14.1
149.04517	1.3
163.03996	55.7
175.02454	1.5
209.71924	0.9
221.09291	2.0
223.82770	1.0
233.04083	1.6
237.07704	1.7
237.75798	1.0
249.06209	18.3
251.10371	7.1
267.07211	25.8
299.94910	0.9
307.07925	1.0
341.08817	1.9
351.10974	2.4
413.10898	11.1
416.29095	1.1
575.16199	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	575.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93005	0.5
55.59742	0.4
59.01385	0.5
62.35513	0.4
71.01371	2.2
85.02937	3.2
87.00877	0.5
89.02445	0.9
95.01395	0.9
96.95988	1.1
99.00876	0.7
101.02452	1.0
113.02443	8.9
118.05121	0.7
134.03740	11.2
138.10445	0.6
149.06073	11.1
152.59360	0.5
154.09857	9.6
175.04010	14.1
178.02765	1.9
191.07106	0.9
193.05063	100.0
221.08185	4.1
235.06137	3.2
237.07794	0.6
247.06035	0.5
265.07147	10.6
281.06622	4.2
287.17459	3.6
307.08224	5.8
318.98297	0.6
325.09317	2.3
367.10266	5.0
369.69873	0.6
413.11026	1.9
455.11969	3.8
557.14966	6.6
575.16248	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	575.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.4
63.99665	0.5
92.22549	0.7
107.32535	0.4
110.73750	0.5
121.02940	1.0
132.45351	0.5
137.52281	0.6
145.02966	0.6
160.05342	0.6
193.05026	0.7
198.26508	0.5
200.66080	0.5
201.66425	0.5
209.06029	0.5
251.07014	1.1
262.06323	2.8
263.07190	3.3
264.07843	3.8
265.08698	2.0
266.05927	1.1
266.09222	0.6
267.06635	15.9
277.08774	0.6
278.09387	1.8
279.03683	1.0
279.06665	20.3
281.08203	2.9
282.08987	21.6
293.08099	2.0
294.05368	11.6
294.09015	14.2
295.06195	3.3
296.10550	0.8
297.11313	9.1
306.05414	0.9
307.06134	4.5
308.06952	1.8
309.07776	13.1
310.08417	4.8
311.05670	2.9
321.07831	1.8
322.08490	15.5
323.05667	26.3
323.09186	2.4
326.07956	15.9
337.07199	1.0
338.07996	36.9
341.10333	58.3
353.10342	100.0
371.11346	6.1
390.10474	0.5
515.15698	1.0
524.36066	0.6
545.16907	0.8
575.18030	3.3
575.26221	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1779
Annotation	Derriscanoside A
Peak:m/z	Relative Intensity
62.55874	1.7
64.78075	1.4
74.02471	19.6
74.03583	1.6
86.29115	2.0
96.22956	1.9
109.06563	2.1
116.25841	1.6
118.05123	4.6
121.02957	7.4
122.94643	2.2
132.04547	19.5
134.09743	2.6
144.04590	2.2
148.05305	8.5
157.07692	7.9
158.06100	3.0
175.08484	9.4
179.10460	2.3
191.03514	4.2
191.07155	16.4
206.05771	7.0
207.06740	2.4
210.07687	1.9
219.07703	17.4
220.03775	2.8
224.03261	2.6
233.04581	2.2
235.06018	3.4
238.04745	3.5
262.06274	2.1
263.07013	3.1
264.07803	7.9
266.05841	3.5
267.06573	20.7
278.05722	2.8
279.06638	21.8
281.08115	12.8
282.08994	37.4
294.05362	30.8
294.09000	19.7
297.11267	8.7
307.05997	4.6
308.06931	2.6
309.07709	43.5
310.08453	8.4
322.08719	14.8
323.05627	29.7
323.09195	4.7
325.07217	9.1
326.07999	23.9
338.07980	79.8
340.09570	7.9
341.10318	46.8
353.10345	74.0
353.14771	2.2
371.11401	74.5
575.17230	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	575.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.5
61.75616	1.4
64.16308	1.4
93.37932	1.5
101.79898	1.5
103.29392	1.5
118.05109	2.7
124.57890	1.7
175.08322	2.1
181.75908	1.6
193.04904	2.6
249.05722	1.8
251.07114	2.2
262.06363	3.8
263.07208	2.7
264.07935	2.8
267.06628	16.7
277.49557	1.6
279.06808	22.6
279.09769	2.8
281.08154	3.1
282.09009	29.2
293.08047	1.9
294.05289	12.1
294.09003	14.8
295.06277	2.7
297.11249	11.4
307.06012	2.3
308.06982	2.0
309.07819	14.7
310.08398	3.9
311.05502	1.8
322.08646	14.3
323.05582	31.9
326.08020	20.1
338.07968	36.9
341.10324	61.0
352.34406	2.0
353.10321	100.0
367.28656	2.1
371.11334	3.3
515.15839	11.8
575.25464	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	575.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67842	0.1
55.48503	0.2
56.22338	0.1
57.03443	0.3
57.82510	0.1
59.01382	1.7
71.01379	0.3
77.82167	0.2
85.02937	0.3
87.05335	0.2
89.02460	0.3
90.08001	0.2
90.28937	0.2
94.27141	0.2
99.04499	0.4
101.02451	0.3
113.02449	0.7
116.92815	0.3
165.09198	100.0
207.10329	0.2
219.07782	0.2
327.14539	11.6
339.30548	0.2
369.15555	20.9
371.17709	0.2
374.87122	0.2
407.18088	0.2
443.19156	0.3
575.21918	1.2
575.30664	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12614	1.9
53.48708	1.8
57.03463	2.4
58.19722	1.9
58.26868	2.0
59.01383	11.4
71.01366	2.7
74.02470	28.7
76.37641	2.0
77.53482	2.0
83.74559	2.2
85.31158	2.3
99.20264	2.2
109.06620	4.0
111.15119	2.5
112.35057	2.1
116.05067	21.2
130.06604	2.9
131.03777	41.9
142.06609	3.8
144.04572	3.7
145.04077	2.7
146.06107	2.9
155.06140	13.3
159.09230	2.5
166.08698	9.5
171.68854	2.2
173.07164	4.4
174.05641	2.8
203.08255	66.1
210.07803	3.4
217.06227	9.0
283.02539	5.1
339.13538	5.5
356.16220	13.0
357.14594	4.7
382.17746	9.8
575.21429	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.8
71.38039	0.6
74.02470	6.8
75.64056	0.5
81.51622	0.7
86.02466	6.2
89.18526	0.6
91.62043	0.6
92.05032	2.5
92.22403	0.7
100.00407	0.7
109.06608	5.9
118.03015	0.9
122.09795	0.7
131.03757	6.4
132.04553	24.0
134.09753	3.9
138.21735	0.5
144.04553	5.8
146.06155	0.9
152.07213	4.8
152.10910	0.6
157.07712	20.2
158.06119	10.0
166.08720	3.0
175.08752	18.2
177.66162	0.6
178.08736	2.9
183.05568	1.5
201.06728	5.2
219.07753	35.1
239.42616	0.8
267.14960	1.4
273.48605	0.6
293.12897	0.9
355.13010	3.9
557.20313	1.3
565.38635	0.7
575.21545	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75104	1.2
59.01370	2.8
69.03465	1.3
74.02467	9.1
86.02481	10.4
92.05083	2.8
92.23170	2.6
94.13245	1.4
109.06549	9.0
113.00236	1.3
114.05691	1.3
130.78757	1.3
131.03766	7.6
132.04552	24.9
134.09766	2.9
135.28625	1.3
136.07715	1.7
144.04550	7.8
152.07118	3.0
157.07739	13.7
158.06119	10.5
170.10527	1.4
175.08804	13.0
175.17499	1.4
178.08734	3.2
201.06718	3.1
219.07750	37.8
267.15024	2.3
287.18253	1.5
557.20416	2.3
575.21564	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	575.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73244	1.3
59.01350	3.6
62.82859	1.5
71.01365	2.7
72.84599	1.7
73.71304	1.4
74.02459	13.6
74.13100	1.8
75.00894	1.8
84.75934	1.8
85.02917	3.9
85.03381	1.7
86.02418	8.3
86.70844	1.6
90.58884	1.5
90.99323	1.5
99.00832	2.9
109.06546	3.9
113.02383	6.5
118.05088	12.4
131.03658	9.4
132.03706	1.7
132.04538	28.3
134.09735	2.0
134.47583	2.0
144.04469	8.7
152.07080	3.4
157.07710	23.4
158.06084	15.8
159.04022	3.4
175.08723	19.9
201.06560	3.2
207.13834	1.8
219.07758	40.4
235.27820	1.9
236.98366	1.9
237.82358	1.6
247.47365	1.7
249.14856	2.6
252.83461	1.8
263.16312	2.8
267.06851	1.8
267.14951	2.1
289.18005	7.5
323.05359	2.0
353.10052	2.8
355.12799	2.3
575.20782	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	1.5
61.98825	13.9
70.58624	1.0
71.05006	2.2
74.02482	2.0
85.03583	1.0
96.75906	1.0
99.65835	1.1
111.00853	1.7
112.67084	1.0
113.03574	2.3
115.08811	1.2
116.07157	2.0
123.63091	1.1
127.11273	26.3
128.53659	1.0
141.06708	2.5
142.06664	2.0
153.09225	4.3
158.90674	1.2
167.06111	1.5
171.10268	84.8
185.05460	1.1
185.07190	1.9
193.13460	1.1
198.22478	1.1
202.09981	1.1
203.08398	1.5
227.08275	8.4
228.07819	5.5
228.17101	14.7
229.06157	1.4
237.12422	2.0
239.08310	5.5
254.18672	1.3
256.10974	8.7
273.13666	6.3
290.31464	1.5
317.12653	10.9
329.23364	2.1
371.24277	1.6
372.65054	1.2
397.22070	4.6
424.26752	1.3
468.26193	15.5
512.25171	100.0
523.75439	1.1
528.06720	1.1
538.28204	1.1
575.24805	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	575.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44825	0.6
56.93087	0.6
64.29631	0.6
68.27012	0.7
74.02467	13.3
74.13499	0.7
83.02512	4.1
83.60057	0.7
86.02466	4.0
86.27228	0.7
99.01975	1.7
99.04523	1.1
102.15957	0.8
111.08139	3.6
125.03564	5.5
131.03760	1.9
132.04543	21.8
144.04539	3.2
150.09222	4.2
157.05344	1.0
157.07677	8.4
158.06087	8.4
167.11934	1.2
168.10295	5.2
172.09773	1.1
175.08768	6.9
175.12392	1.1
184.03995	1.1
193.13591	6.4
194.08185	3.2
195.11406	5.6
201.06587	1.0
203.08160	3.4
211.10933	1.7
216.52209	0.9
219.07713	8.9
219.11275	6.5
225.12445	1.1
237.12448	27.4
316.99164	0.8
343.19156	0.9
353.05688	0.8
370.17804	1.2
415.05887	0.8
424.18781	3.4
442.19772	3.8
489.20432	0.9
575.25153	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22171	0.6
56.39486	0.6
57.03429	0.8
59.01390	0.8
66.98254	0.6
74.02466	13.5
83.02502	3.4
86.02473	4.7
99.02010	3.4
111.08138	3.0
116.05094	0.9
125.03555	4.1
130.46257	0.7
131.03801	5.4
132.04552	13.7
144.04558	3.7
150.09261	2.7
157.05328	1.2
157.07700	12.1
158.06068	10.0
167.11870	1.2
168.10271	3.4
172.09880	1.3
175.08760	9.1
175.12291	0.8
184.03905	1.3
193.13425	7.7
194.08212	1.6
195.11435	3.4
203.08253	6.1
211.10922	3.8
219.07765	7.7
219.11383	5.9
225.12512	1.2
228.71698	0.8
237.12479	24.0
251.10269	1.2
274.11829	0.9
274.43130	0.7
310.08191	0.7
326.18839	1.0
359.07465	0.9
370.17767	1.3
424.18848	0.8
442.19846	1.6
474.72385	1.0
557.23920	1.4
575.25171	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53887	4.1
56.17203	4.3
59.01376	31.8
60.86350	3.9
71.01375	20.7
73.02940	21.8
74.02475	5.6
75.00874	7.0
83.01367	5.2
85.02948	9.2
87.00856	11.0
89.02393	5.4
101.02428	22.8
111.00883	54.8
113.02445	9.8
126.62523	4.3
127.11317	7.1
130.06633	9.8
144.04578	6.4
155.10757	4.9
171.10252	9.0
173.11818	62.5
174.05600	6.3
203.08246	9.4
231.89755	5.4
291.19647	8.0
356.16156	7.2
364.86115	4.9
397.80835	4.7
441.83127	5.4
486.74722	5.0
531.28271	100.0
575.28223	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	575.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26477	0.3
58.45599	0.4
59.01379	2.5
85.34809	0.4
88.06278	0.4
104.46041	0.5
109.06591	2.6
118.33150	0.4
127.07648	100.0
131.07185	1.7
139.22090	0.4
145.17020	0.4
171.06638	56.5
173.08179	0.6
175.76527	0.4
307.59473	0.4
575.19574	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96006	0.6
57.53571	0.7
59.01381	100.0
74.14907	0.7
88.94070	0.6
93.03451	39.0
101.18049	0.7
119.99306	0.7
149.08896	0.8
175.19923	0.7
208.58226	0.7
277.21689	14.9
303.72430	0.9
317.06766	0.7
368.62982	0.8
452.16946	0.8
488.22437	1.5
515.30060	1.1
575.23248	5.3
575.31421	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	575.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24317	0.7
59.01382	100.0
106.58924	0.6
111.42125	0.6
125.54927	0.7
137.51233	0.7
155.30870	0.7
161.85551	0.7
289.08054	0.7
354.51935	0.6
575.35492	2.8
599.42493	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97907	0.6
55.54513	0.6
59.01383	100.0
72.74168	0.8
108.99859	0.9
116.92900	1.0
142.21553	0.9
152.52592	0.8
163.10289	0.9
197.20383	0.8
226.21948	0.9
253.08705	0.9
294.96683	0.9
424.29874	0.9
437.72607	0.9
449.41953	0.8
575.36060	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	575.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00079	0.5
59.01381	100.0
87.26006	0.7
88.38002	0.6
116.94176	0.6
123.24266	0.8
143.39735	0.6
154.39149	0.7
156.94243	0.6
177.18571	0.7
184.06342	0.7
223.22296	0.7
310.97961	0.7
377.68344	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04088	0.5
55.63199	0.4
56.03914	0.4
59.01377	0.6
61.98832	100.0
86.04958	0.4
89.68552	0.4
113.32557	0.4
131.19942	0.5
161.39227	0.4
204.80696	0.5
277.21817	1.8
278.22055	4.4
279.22397	2.0
280.22598	0.9
519.00049	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.303
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91984	0.5
61.98834	100.0
68.60734	0.5
73.49165	0.6
74.28293	0.6
92.04697	0.7
110.15018	0.7
132.36687	0.6
159.36566	0.6
167.35571	0.7
277.21683	0.8
278.22098	3.0
280.22607	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46861	0.7
59.01384	16.1
61.98838	1.1
62.28728	0.8
76.80798	0.8
78.95905	10.5
80.34990	0.7
82.58862	0.7
88.02752	0.7
91.18195	0.8
96.95974	1.1
117.18671	0.8
123.85431	0.8
135.65489	1.0
152.99603	4.1
155.29214	0.9
168.04298	3.7
224.06935	10.9
242.07970	3.2
275.19913	0.9
277.21744	100.0
318.25281	0.8
326.78888	0.8
496.60953	1.0
502.29440	99.4
563.63434	0.9
576.32886	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	577.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21209	0.5
55.44012	0.4
57.03432	0.5
59.09866	0.4
83.01427	0.5
96.03872	0.5
101.02503	0.5
237.01543	0.6
285.04086	3.0
298.04807	0.8
299.02023	8.7
313.03473	3.9
314.04361	100.0
329.06720	24.1
488.32346	0.6
533.13037	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	577.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98578	0.5
57.03444	4.1
59.01376	4.1
66.75106	0.7
71.01373	7.3
73.02948	2.8
85.02968	2.1
89.02442	1.1
91.04665	0.6
97.17571	0.6
99.00864	3.0
99.04487	3.8
101.02451	7.7
113.02422	6.3
123.00877	1.6
123.04527	4.8
124.01639	4.6
125.02412	4.4
138.03207	7.9
139.03995	18.0
139.04996	1.1
149.02463	1.1
149.99614	0.8
159.02992	1.0
161.04550	10.0
163.04028	0.8
166.28735	0.7
167.03488	100.0
168.00636	5.2
181.05087	3.2
184.24672	0.7
191.03513	19.3
193.05064	3.3
209.04581	9.5
221.04575	1.3
223.48480	0.8
260.89417	0.7
301.09244	1.7
323.12283	0.7
329.08813	48.7
371.09845	10.6
415.12512	1.5
433.13528	35.0
475.14697	1.5
555.60876	0.8
577.18164	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	577.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59033	0.2
55.24969	0.2
55.91800	0.2
56.03344	0.2
59.01402	0.3
59.15138	0.2
65.47295	0.2
71.01392	0.2
89.02457	0.2
92.48130	0.2
109.50161	0.2
162.49626	0.2
193.05064	1.6
235.73317	0.2
268.03845	1.8
269.04584	100.0
403.32120	0.3
522.59961	0.3
546.43182	0.3
577.15619	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	577.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59033	0.2
55.24969	0.2
55.91800	0.2
56.03344	0.2
59.01402	0.3
59.15138	0.2
65.47295	0.2
71.01392	0.2
89.02457	0.2
92.48130	0.2
109.50161	0.2
162.49626	0.2
193.05064	1.6
235.73317	0.2
268.03845	1.8
269.04584	100.0
403.32120	0.3
522.59961	0.3
546.43182	0.3
577.15619	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	577.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51254	0.7
57.03447	11.3
58.24126	0.7
59.01385	6.2
63.64770	0.7
66.13094	0.8
68.19551	0.8
71.01382	18.5
72.99275	0.9
73.02949	6.0
74.01202	0.9
83.01398	1.4
85.02934	8.0
87.66838	0.8
89.02440	6.5
99.00870	6.2
99.04499	7.2
101.02435	14.5
113.02441	15.7
123.00854	5.4
123.04489	7.5
124.01646	13.3
125.02416	7.6
131.03513	0.8
137.02440	1.3
138.03226	14.1
139.04010	41.8
143.03510	1.6
146.08212	1.0
149.02435	1.7
151.04027	1.0
159.03014	4.2
161.04555	21.4
162.40739	0.8
167.03496	100.0
168.00620	10.0
169.01469	0.8
181.05043	5.3
191.03543	14.8
193.05038	4.0
209.04573	7.4
221.04532	1.5
301.09210	5.0
329.08810	43.0
371.09799	9.9
415.12613	7.0
433.13599	78.2
475.14569	3.2
477.70355	1.1
491.31818	1.0
577.18024	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	577.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	7.5
60.16899	1.6
61.17847	1.8
62.52410	1.7
69.07101	2.0
69.20083	1.7
71.01379	2.4
71.97125	1.6
73.09605	1.7
87.31576	1.8
88.98793	10.6
92.22474	1.9
96.95995	4.7
99.00864	8.2
101.02418	3.5
104.09583	1.7
109.99388	1.7
113.02432	1.8
119.18907	2.2
122.03695	2.2
133.06596	2.0
134.03738	1.9
136.01628	3.4
137.02446	4.0
137.06068	3.0
147.04469	2.0
149.06046	2.1
151.04002	11.2
151.12973	2.0
179.07178	2.9
182.05873	35.5
191.03450	9.7
193.05051	13.0
197.08208	100.0
205.05055	4.6
208.03763	4.1
234.28505	1.8
303.34933	2.0
392.52271	2.2
402.09247	2.5
446.60638	2.0
533.18811	57.2
577.18890	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	577.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18707	0.8
55.90242	0.7
57.03452	88.8
59.01382	73.4
71.01376	5.2
73.02935	5.2
73.64241	0.8
77.03880	0.9
77.33527	0.8
77.46958	0.8
81.03452	2.2
82.16167	1.0
83.01361	1.7
85.02951	2.2
89.02454	2.2
99.04514	100.0
101.02440	23.2
105.71973	1.0
113.02438	2.3
125.02434	37.2
143.03520	4.6
157.52562	1.1
161.04550	2.0
165.12859	1.1
183.13835	6.6
212.17323	1.1
219.28123	1.0
227.13033	1.7
245.48868	1.1
358.85483	1.1
389.16006	1.7
433.28204	2.0
475.29324	1.2
533.20135	5.6
533.32898	1.3
577.20233	1.6
577.30402	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	577.1935
Annotation	Podorhizol beta-D-glucoside
Peak:m/z	Relative Intensity
56.64736	0.8
59.01381	70.2
74.02475	5.2
96.95988	1.2
110.59717	0.9
118.05043	1.2
132.04581	1.4
219.07738	1.1
266.09717	1.0
279.06790	2.2
291.06619	3.9
292.07468	3.8
293.07990	1.0
294.08990	6.1
295.06168	12.4
301.08951	1.0
305.08359	1.4
306.08975	18.6
307.06174	37.5
307.09659	3.5
309.07770	1.4
310.08502	35.8
321.07571	2.0
322.08478	36.4
325.10831	70.1
326.25333	1.1
337.10858	100.0
355.11975	15.9
413.93118	1.1
458.03265	1.2
532.32947	1.2
577.22754	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	577.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.7
60.07492	0.8
68.05056	0.9
72.82538	0.8
72.82994	0.7
72.97034	0.7
74.02470	10.9
86.02468	4.8
92.05025	3.6
111.08152	13.1
125.03548	1.4
131.03734	6.6
132.04550	24.5
144.04541	4.9
146.06070	0.8
155.36031	0.8
157.07689	11.6
158.06119	12.4
168.10332	1.2
172.09752	1.2
175.08775	12.9
175.12314	1.0
179.11975	1.0
183.05612	1.4
184.04105	1.7
197.13008	1.1
201.06714	4.6
205.13556	0.8
212.09222	1.7
219.07747	21.3
223.14438	1.7
237.12477	1.3
249.12521	1.0
295.14453	1.3
351.62189	0.9
375.15738	1.2
378.05847	0.9
491.16800	0.9
559.22113	3.2
577.23102	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65635	0.5
65.66065	0.5
71.01379	0.7
74.02473	11.3
86.02471	2.6
92.05074	1.3
93.99668	0.6
100.00351	0.7
111.08131	7.4
131.03752	5.3
132.04552	19.6
132.63852	0.6
144.04539	4.5
150.09247	1.0
153.10291	1.1
157.07718	12.7
158.06110	12.3
168.10353	1.1
175.08772	10.7
183.05614	1.3
184.04007	1.1
197.12944	1.4
201.06645	3.3
203.08342	5.7
205.13496	0.8
212.09242	1.5
219.05757	0.9
219.07791	18.0
222.31396	0.7
223.14514	2.7
237.12428	3.5
249.12471	0.7
252.45734	0.7
292.72388	0.9
295.14508	0.8
313.15616	1.6
357.14490	0.8
375.15445	0.7
400.18784	0.9
411.13788	0.8
480.67896	0.7
559.21704	0.9
577.23053	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	577.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46651	0.7
57.03440	1.5
59.01371	1.9
71.01372	1.7
74.02470	44.2
74.03601	1.1
83.02490	1.2
85.16533	0.8
89.02452	1.3
89.13483	0.8
90.01105	0.8
92.05064	1.1
93.48351	0.8
99.00854	1.2
99.04508	1.2
111.08153	11.1
113.02386	1.3
116.05035	5.8
118.05082	8.2
125.03526	1.0
132.04565	9.1
132.05441	1.0
144.04572	1.9
146.06114	2.2
148.04042	13.0
153.10320	1.5
154.08749	2.1
159.09285	1.8
163.68765	0.8
167.11897	1.5
168.10291	8.7
172.09761	4.9
173.07155	10.2
175.08403	6.7
182.07904	1.0
203.08289	32.0
212.09296	11.7
219.07631	4.2
229.11955	3.6
230.10307	3.8
235.07268	1.5
255.13512	9.4
271.09991	1.0
287.12451	4.0
297.15991	4.1
311.14056	2.1
359.16318	1.5
384.19092	4.7
432.17429	1.2
515.23041	1.3
559.22217	5.4
565.09717	0.9
577.22998	100.0
577.29657	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	577.2638
Annotation	Brialalepolide B
Peak:m/z	Relative Intensity
53.21850	0.2
65.65653	0.3
70.02973	5.6
71.02518	0.4
71.86048	0.2
73.04065	1.4
85.04026	0.3
95.02494	1.5
96.00908	4.9
97.04044	0.4
98.02441	0.5
99.01987	0.4
111.02007	0.6
112.05188	4.0
112.67402	0.3
113.03559	7.2
114.01957	15.7
115.05141	4.6
119.04990	0.4
125.03527	0.5
127.05128	0.4
127.08753	1.6
129.10315	0.7
130.06224	18.4
131.04610	11.4
137.02438	0.3
142.06250	0.4
148.07663	0.4
154.06227	25.2
155.04640	0.7
155.08304	1.3
160.45499	0.3
172.07283	29.9
178.18571	0.3
184.07350	0.4
184.10892	1.3
186.05550	0.6
203.08250	2.3
214.12355	0.5
216.13928	1.5
226.11945	1.1
241.13466	14.4
242.11952	0.4
244.13126	0.4
258.12311	0.5
258.16046	0.6
259.14539	25.9
276.17215	6.5
285.16006	0.3
301.13104	0.6
302.11493	0.3
302.14944	0.4
315.18295	2.6
333.19348	4.0
373.11676	0.3
376.89594	0.3
390.21475	0.4
402.21127	0.5
432.17096	0.6
432.22540	8.1
457.69147	0.4
529.24255	1.7
537.88983	0.3
547.25494	2.2
559.25403	2.3
569.58557	0.3
577.26349	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10812	0.7
57.03449	7.3
59.01389	6.0
67.47191	0.7
71.01377	4.5
78.98588	3.6
79.95752	3.8
80.96514	44.3
81.48861	0.7
85.02918	1.0
87.00860	1.9
94.98081	11.2
97.02921	1.8
99.04503	8.5
101.02432	4.1
105.29913	1.0
106.98046	1.4
108.63989	1.2
122.97536	1.7
123.07799	0.9
125.02464	6.0
134.97589	5.3
148.99127	7.0
152.98604	6.7
164.98615	15.6
206.99699	1.9
225.00764	23.6
277.21689	1.5
299.04364	3.2
417.45291	1.0
533.30157	1.2
577.26971	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	577.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96224	0.6
64.73545	0.5
64.83092	0.6
68.87002	0.5
71.01379	4.9
72.95329	0.4
73.02946	0.9
78.98589	5.3
79.95734	2.9
80.96511	40.3
85.02924	1.3
87.00884	2.5
94.98073	10.9
97.02964	1.2
101.02447	3.1
106.91657	0.5
106.98074	2.8
122.97571	5.1
125.02429	3.4
127.04055	0.6
127.63251	0.6
134.97562	4.1
136.99149	0.9
145.93796	0.6
148.99158	5.5
152.98610	8.8
164.98639	14.5
182.99734	3.5
199.82462	0.6
206.99776	5.0
216.58691	0.5
216.67528	0.5
225.00731	24.5
243.01799	1.0
277.21640	3.2
299.04468	3.5
299.53796	0.7
469.63739	0.6
541.11200	0.6
577.26953	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	577.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81970	0.5
59.01368	0.5
63.60109	0.5
71.01366	3.8
73.02945	1.1
78.98608	4.0
79.95741	3.1
80.96516	42.4
85.02931	2.8
87.00863	2.3
94.98081	10.8
97.02927	1.0
101.02421	2.6
101.19698	0.5
106.98072	2.5
122.97567	2.2
125.02431	2.9
134.97592	5.7
136.99176	1.0
148.99181	7.0
152.98643	6.1
164.98628	14.1
182.45578	0.5
206.99698	3.3
225.00760	22.4
277.21735	2.1
299.04398	5.6
329.41000	0.5
577.26965	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	577.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82302	1.5
57.36955	1.7
59.01382	11.9
63.37261	1.6
65.73428	1.8
69.26456	1.8
71.01393	8.3
74.02464	45.4
74.03611	3.2
75.00869	9.6
84.69556	1.7
85.02961	11.8
87.00871	1.8
89.02451	3.6
99.00884	4.1
101.02401	2.3
103.84068	1.7
105.98975	1.8
113.02452	11.9
113.29578	1.9
118.05096	24.5
132.04608	4.1
134.05940	2.1
154.77637	1.8
170.84862	2.0
171.10320	9.1
175.07199	41.8
175.08453	5.4
183.13820	2.3
203.08228	3.4
209.11942	2.8
211.13446	13.8
215.27771	2.1
221.11914	2.7
229.14525	14.3
239.12901	3.1
249.06418	2.1
291.19839	3.2
327.21536	14.3
356.27853	1.9
434.08823	2.0
551.36133	2.5
577.29041	100.0
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
54.48461	1.4
57.03452	97.3
58.27196	1.9
59.01383	78.3
61.98837	1.9
71.01367	2.8
80.96529	2.4
83.29386	1.6
85.38616	1.9
85.69191	1.7
92.22557	2.1
94.33529	1.6
99.04514	100.0
101.02449	21.2
107.80758	1.7
125.01563	2.7
125.02446	48.2
134.23293	1.7
143.03362	2.0
161.04573	2.7
161.87767	1.6
186.72493	1.6
222.25203	2.0
225.33800	1.7
389.25751	2.6
409.96448	2.0
480.92755	2.0
483.35944	2.0
504.73862	1.9
533.29645	13.0
577.27039	4.1
577.35822	1.9
602.93579	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	577.289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	96.1
59.01384	100.0
60.01711	2.0
71.01366	2.4
79.04257	2.0
82.95782	1.8
99.03892	3.8
99.04517	94.7
101.02448	21.9
125.02438	33.7
266.60107	2.1
284.53992	1.8
328.18765	1.9
337.52225	2.1
340.72629	2.1
389.25726	3.2
527.97937	2.2
533.29730	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	577.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	38.6
59.20875	3.2
60.59302	2.8
71.01384	38.0
72.99317	6.8
75.00872	18.4
85.02951	43.2
87.00874	25.5
89.02435	5.2
95.01368	7.7
99.00903	16.3
110.75837	3.3
113.02462	60.6
115.00392	5.6
125.09725	6.3
129.01930	5.1
175.02455	7.7
205.07076	4.8
207.67429	3.8
209.11829	9.1
217.57486	4.2
247.20709	4.4
249.06160	14.8
257.23303	4.0
267.04709	4.1
267.07294	15.7
291.19708	21.4
309.20892	7.8
459.18719	5.6
459.79849	3.6
559.27655	100.0
577.28571	88.0
598.35742	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	577.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69612	1.9
56.13148	1.7
56.63689	1.8
57.03452	93.5
59.01382	84.0
60.38514	2.0
61.98843	2.9
70.98396	1.8
71.01388	2.5
73.22675	2.3
83.20753	2.1
85.02954	2.5
89.16293	1.9
91.28020	2.1
99.04510	100.0
101.02396	15.2
102.14774	2.3
109.42284	2.2
112.84697	2.1
125.02429	52.7
143.03441	2.9
157.48676	2.1
185.04015	2.2
290.77081	3.0
295.82907	2.1
313.50095	2.5
385.02579	2.8
417.55478	2.6
433.31781	3.0
577.27649	4.1
577.36353	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	577.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67792	1.1
59.01379	9.8
62.33467	1.4
62.97797	1.2
68.88118	1.6
84.96604	1.3
87.04797	1.2
89.02445	1.5
98.72369	1.3
103.09325	1.5
253.09232	8.6
281.24869	100.0
517.34052	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	577.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74658	0.2
59.01107	0.3
59.01383	5.7
61.76530	0.3
70.10233	0.2
70.44599	0.2
71.01386	2.1
71.81638	0.2
73.02935	0.4
89.02434	1.8
89.45980	0.3
93.02604	0.3
95.10727	0.3
101.02413	2.3
112.44163	0.2
113.02430	1.2
115.34156	0.3
119.03503	0.6
132.50060	0.3
161.04527	0.7
192.65912	0.3
213.93729	0.3
216.04704	0.3
235.08214	1.1
253.09303	7.9
281.24884	100.0
293.17065	0.3
363.90628	0.3
517.33917	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	577.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79215	7.5
50.79540	8.7
52.22448	8.2
53.91722	8.2
54.12258	7.6
56.38633	7.4
65.73338	7.1
69.85669	8.2
577.37836	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
76.27088	1.8
85.42021	1.7
118.63256	2.0
165.12799	8.8
178.10442	1.8
183.13901	100.0
195.13898	8.0
223.13403	4.3
226.97324	1.9
227.13004	3.5
275.20233	2.6
293.21268	26.6
577.37518	84.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35898	0.7
53.50222	0.8
53.92970	0.8
59.01376	1.9
77.44953	0.8
110.28668	0.9
111.08126	1.1
165.12878	6.7
183.13910	100.0
195.13899	5.8
209.11818	2.2
223.13353	2.3
227.12946	4.1
235.17068	1.1
250.16841	1.0
253.74101	1.0
275.20203	6.7
293.21246	28.3
299.74265	0.9
301.16629	1.5
577.24176	5.7
577.37537	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	577.4244
Annotation	3-demethylubiquinol-6
Peak:m/z	Relative Intensity
66.73458	1.1
71.12694	1.3
78.89986	1.0
83.09970	1.1
105.23439	1.1
131.26770	1.1
259.20691	1.4
263.22305	1.2
277.21738	91.4
415.24155	1.5
503.54034	1.3
577.42493	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	53.1
59.01105	2.9
59.01385	83.4
61.98832	30.5
62.31232	2.1
65.39759	1.7
65.86739	1.7
71.01377	12.5
73.02930	3.0
73.49279	2.0
78.82141	2.0
83.01389	2.8
85.02952	5.2
96.95970	2.1
99.04516	100.0
100.04864	2.5
101.02435	23.9
113.02452	10.6
117.51533	2.5
125.02447	51.9
140.40393	2.6
143.03522	4.4
183.91400	2.3
186.82521	2.6
216.01422	2.3
219.07867	2.8
371.20819	9.7
413.21927	44.6
471.25696	4.5
515.25043	99.1
578.23175	10.7
578.30695	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	578.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45712	1.2
61.98832	100.0
85.07658	1.2
92.23186	1.7
101.59289	1.3
171.06473	1.2
193.77876	1.4
219.35873	1.3
280.23572	3.3
363.53589	1.5
455.26709	1.6
489.50259	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	578.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55879	0.6
51.70014	0.6
61.98830	100.0
66.09176	0.6
75.27013	0.5
119.47909	0.7
128.33658	0.6
169.00490	0.7
279.23288	2.5
280.23691	4.5
281.23871	2.9
282.24121	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06696	0.5
59.01387	8.5
71.02563	0.5
71.51273	0.4
78.95906	8.3
82.19578	0.4
91.54223	0.4
111.31504	0.6
114.07027	0.5
115.41299	0.6
152.99626	3.6
164.77127	0.5
168.04350	3.6
204.18286	0.5
224.06960	8.9
242.08014	1.2
261.22324	0.5
279.23309	100.0
504.31042	70.1
531.49652	0.6
578.34619	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	579.1361
Annotation	Cyanidin-3-O-(2''-O-beta-xylopyranosyl-beta-glucopyranoside)
Peak:m/z	Relative Intensity
51.69963	0.3
57.03442	0.3
59.01380	1.6
61.15455	0.3
74.02464	0.4
76.51842	0.3
85.02937	0.5
116.03579	0.5
117.79227	0.4
151.00389	1.6
178.99812	0.3
197.73476	0.3
200.44368	0.4
203.08284	1.9
204.11066	0.3
227.03465	10.4
229.04990	0.5
239.03323	0.4
245.09352	3.1
245.62695	0.5
255.02989	29.5
256.03812	5.1
257.04538	1.3
283.02570	0.5
284.03271	100.0
285.04053	14.2
429.08313	0.5
579.13611	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	579.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.4
59.01381	9.8
62.02170	0.4
63.99434	0.4
73.02921	0.6
89.02430	0.7
94.78288	0.4
105.65923	0.4
134.21190	0.5
151.00371	0.8
178.99828	0.5
187.96758	0.4
201.70151	0.5
207.13951	0.6
213.05330	0.5
227.03523	9.4
229.05003	0.6
251.12941	0.6
255.03012	26.5
256.03842	5.0
257.04642	1.0
284.03293	100.0
285.04056	13.6
299.26617	0.5
309.07635	1.8
312.10086	2.2
324.10013	2.3
325.15625	0.7
327.12451	4.6
331.93686	0.5
339.12430	4.9
396.75754	0.6
400.28131	0.5
579.13678	65.2
579.21985	2.6
606.11816	0.5
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
58.78464	0.6
59.01381	7.9
64.64731	0.6
71.01380	4.9
73.02954	0.6
85.02947	1.1
89.02436	5.5
95.01363	0.8
96.80122	0.8
96.96018	1.2
101.02443	5.3
103.00297	0.8
108.02180	14.9
109.02942	6.8
113.02456	1.7
115.07650	1.0
119.03468	3.7
129.05624	1.0
151.03986	1.2
152.01155	84.9
153.01929	8.3
163.04025	1.4
173.51361	0.7
177.34964	0.7
196.18890	0.7
205.07169	3.5
241.07208	3.9
285.06390	1.1
324.16000	0.8
373.11212	1.0
399.09454	1.1
420.27170	0.9
579.15723	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.174
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32218	0.4
56.72284	0.5
58.02983	4.4
58.03225	0.5
67.62220	0.5
69.44250	0.4
70.02964	7.8
72.04563	0.8
74.02467	31.5
81.42233	0.5
98.02472	5.9
116.03529	17.4
116.05038	6.2
117.86777	0.5
130.06627	1.0
142.06674	0.9
159.09290	3.3
175.69514	0.5
183.09302	0.6
186.05606	0.7
201.10333	6.7
203.08279	61.9
220.91624	0.5
245.09319	100.0
289.08276	4.3
407.15460	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94580	1.0
57.03453	2.8
59.01102	2.1
59.01384	54.8
71.01382	25.0
73.02546	2.5
73.02942	54.6
74.01395	1.2
83.01402	10.5
85.02956	3.1
89.02433	12.8
96.95965	1.5
99.04504	6.7
101.02436	35.5
109.02936	5.4
113.02444	12.9
118.35374	1.3
119.03474	2.4
123.00924	1.6
123.04501	2.2
125.02431	5.0
131.03479	6.2
136.01665	7.8
137.02449	2.3
149.04517	2.7
151.03999	28.5
161.04546	6.1
164.07135	2.3
172.05225	2.1
173.06046	2.3
187.03958	5.7
188.04741	3.1
202.06401	13.7
203.07213	3.4
206.08258	6.1
207.08551	1.5
263.07062	1.5
278.09485	5.1
279.06580	8.1
282.08957	1.7
291.06787	1.8
293.08282	6.5
294.09003	10.6
295.10095	1.7
297.11414	1.9
307.09732	2.1
308.10675	1.6
309.07672	10.2
309.11423	6.0
312.10101	1.7
323.09222	8.7
323.76657	1.6
324.10080	39.4
327.12302	10.9
339.12387	95.1
357.13406	2.6
432.13022	1.6
495.14755	1.7
501.17563	1.6
519.17523	10.3
519.25201	18.3
535.24579	2.1
537.19519	10.0
561.19489	11.6
579.20917	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	579.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45114	0.7
74.53008	0.7
123.49442	0.9
136.01645	5.7
151.04024	15.7
176.04829	1.2
190.06413	2.7
191.07115	5.3
267.06628	10.6
279.06619	4.9
282.08997	48.4
294.09091	5.7
297.11340	100.0
312.10077	15.3
327.12381	35.0
345.13406	29.3
357.13501	7.9
375.14532	70.4
579.20605	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	579.209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	55.7
59.72879	0.8
71.01377	16.9
73.02943	29.4
83.01353	2.4
85.02946	4.6
85.45763	1.0
89.02488	0.9
99.04546	1.0
101.02433	26.6
113.02440	10.2
119.03466	2.1
122.03752	1.7
133.02913	1.5
143.03384	1.3
149.02443	22.4
149.04544	1.9
150.03214	63.7
151.85272	1.1
161.04553	5.4
163.03976	1.3
164.04779	29.1
165.05560	98.2
179.07156	1.3
180.04221	10.4
195.06604	20.1
203.05579	1.4
209.01465	1.0
221.06641	5.5
254.83292	1.2
262.78061	1.1
283.09760	6.5
297.07599	1.3
312.10107	34.4
327.12393	76.2
339.12308	2.1
375.14584	1.3
471.16666	8.1
519.18848	1.7
531.19037	16.4
537.20026	5.4
561.19733	1.4
579.20874	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2105
Annotation	(+)-Syringaresinol O-beta-D-glucoside
Peak:m/z	Relative Intensity
55.85104	0.8
59.01382	100.0
63.12910	0.8
65.62328	0.7
70.02969	0.8
71.01362	1.6
74.12151	0.8
79.42139	0.8
80.57967	0.8
83.34676	0.7
89.02424	1.2
92.23095	1.5
101.02447	1.5
130.06230	1.2
154.06204	1.5
172.07309	1.3
179.10774	3.1
186.98085	0.9
190.06401	1.2
193.07133	1.3
279.06775	1.2
284.03326	1.9
287.39243	0.8
294.09015	5.1
296.10571	1.7
297.07849	6.7
308.10580	2.0
309.07721	20.5
309.11349	7.1
312.10114	25.1
323.09241	3.0
324.10120	28.0
327.12405	58.5
327.16336	1.9
339.12381	51.9
357.13455	5.5
395.58737	1.0
399.16574	4.0
458.09268	1.0
514.10156	0.8
579.13654	1.7
579.23169	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	579.2091
Annotation	(+)-Syringaresinol O-beta-D-glucoside
Peak:m/z	Relative Intensity
57.03439	2.2
59.01377	13.7
63.36406	1.1
71.01367	2.2
73.02928	1.3
75.66114	1.4
83.88247	1.0
84.95268	1.1
85.02950	1.7
89.02451	1.7
92.22480	2.5
93.03457	10.7
94.03805	1.4
96.11021	1.4
99.04498	5.0
101.02435	6.7
104.98861	1.2
113.02428	4.7
120.50198	1.2
121.02896	1.9
125.02405	1.6
134.85614	1.2
137.02457	1.8
150.03238	12.6
151.00320	1.9
152.04779	5.1
160.01686	5.8
165.01871	1.7
165.05542	14.7
166.02695	39.6
167.03445	1.8
175.03998	20.7
181.05069	100.0
191.12680	1.3
193.05092	1.5
195.06642	6.7
205.08719	1.6
232.45218	1.3
242.29565	1.2
284.03284	2.6
287.10403	2.7
302.32288	1.4
322.85922	1.4
343.21030	1.8
347.47815	1.4
359.44479	1.3
383.13507	20.0
387.10843	32.8
402.13193	12.9
417.15576	96.7
457.77585	1.4
475.01978	1.6
519.31708	2.9
535.16016	3.0
579.20361	13.5
579.29803	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	579.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78809	1.5
57.02687	1.6
57.03446	9.4
59.01381	27.9
60.20078	1.8
62.85010	1.6
63.84801	1.6
71.01373	4.4
73.02928	2.3
73.38068	1.7
74.02446	3.3
85.02952	4.2
88.98796	4.3
89.02429	10.6
99.04511	10.1
101.02440	14.8
113.02431	8.9
119.03511	1.9
121.02937	8.9
125.02469	2.9
133.02899	2.5
134.03728	8.7
149.02420	9.2
149.06081	4.3
150.03223	47.6
157.15981	2.1
160.01625	27.9
164.04741	1.9
165.04211	3.9
165.05557	76.1
175.03993	100.0
180.04210	4.2
192.48738	1.8
193.05005	9.5
195.06668	25.5
233.05956	2.1
243.11458	3.5
250.06384	7.9
255.03079	2.8
265.08835	2.2
282.08994	18.5
284.03305	9.0
287.10394	4.3
329.32932	2.0
341.10547	13.2
343.21317	2.1
365.82187	1.9
368.11276	3.4
383.13467	91.5
394.51199	2.0
448.88458	2.2
477.65424	2.1
519.29071	3.0
531.18854	21.1
579.12689	2.8
579.21161	50.3
579.30591	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	579.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72702	1.6
54.37021	1.6
57.78135	1.4
60.25327	1.5
80.67255	1.6
86.93266	1.5
87.00870	68.2
97.03660	1.7
137.02426	8.9
166.02678	17.4
167.03519	2.6
179.03358	2.4
181.05063	90.8
257.24176	1.7
301.53214	1.8
354.02582	1.7
387.10703	3.1
402.13266	3.2
417.15527	12.9
461.14578	31.4
476.17044	9.8
491.19394	27.6
505.17557	2.1
542.18823	1.8
579.20905	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	579.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11940	3.7
53.85144	3.3
59.01384	100.0
62.07991	3.7
65.62802	3.8
69.13739	4.2
70.91087	3.7
71.01371	52.6
85.02937	7.3
89.02435	84.2
101.02425	28.4
112.25681	4.2
113.02445	33.2
119.03504	28.2
143.03476	5.6
159.10336	4.4
161.04578	7.3
164.26479	3.9
165.71475	4.7
171.10165	4.7
179.05617	52.7
184.55307	4.4
271.94064	5.3
294.08975	8.0
335.79526	4.6
339.12213	7.1
441.84763	5.0
519.18719	28.6
541.89276	5.3
579.30157	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	579.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
71.01373	69.2
73.02945	5.7
80.51005	3.3
85.02940	20.9
85.08859	3.1
85.67996	4.4
87.00871	3.5
89.02436	68.1
95.01386	5.4
96.96091	3.4
99.00864	6.1
101.02447	39.8
113.02448	48.3
118.71320	3.5
119.03500	19.3
119.30180	3.4
121.07594	3.8
141.09212	3.6
141.68782	3.3
150.03175	5.0
151.03992	5.0
151.09753	4.3
161.04538	7.4
165.05568	6.0
179.05646	6.4
183.10297	5.2
191.07140	5.2
268.44009	4.1
285.17123	5.1
297.11475	5.8
312.10159	15.4
327.12354	53.8
353.96387	4.3
357.13443	8.9
375.14560	20.5
475.21887	82.6
493.22827	36.2
535.24084	60.2
543.23059	15.4
579.22711	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	579.23
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66936	0.9
55.01863	2.1
57.03188	2.1
57.03450	30.7
59.01384	74.3
63.49804	1.4
67.12100	1.1
67.92223	1.0
71.01376	14.6
72.58777	1.0
73.02925	2.5
75.00854	2.1
85.02973	4.0
89.02439	18.3
99.04513	45.8
101.02431	17.4
105.46375	1.1
113.02434	6.6
119.03496	5.4
120.64994	1.2
125.02413	17.9
129.01927	1.5
135.04428	1.5
143.03462	1.9
147.03026	1.8
165.03989	4.9
189.12878	5.5
207.13896	29.4
227.03435	6.2
241.58894	1.2
245.09270	1.9
251.12877	19.5
255.02997	15.9
256.03717	4.3
284.03287	62.7
285.04175	10.5
327.12366	7.7
339.12329	5.2
391.19727	11.4
431.19067	9.9
433.20947	7.1
519.31757	1.6
535.24115	7.2
561.21881	1.9
579.13580	41.4
579.23004	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	579.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98789	0.5
59.01382	100.0
62.88900	0.5
66.37935	0.5
71.01376	9.2
71.40966	0.6
73.02939	2.8
83.01381	0.9
85.02945	2.7
89.02427	8.6
99.04499	1.0
101.02434	8.7
113.02443	6.8
113.74313	0.5
119.03490	1.3
119.05018	1.3
119.29935	0.5
125.02424	0.9
130.06129	0.9
133.10208	0.6
135.11824	5.5
145.02931	0.7
161.04492	2.4
161.09709	3.5
163.04037	2.3
165.04070	1.0
168.00627	2.4
179.10768	16.7
181.01851	0.6
190.06310	1.3
193.07202	10.5
203.08360	1.1
205.08681	1.1
222.05301	0.8
223.09711	6.0
227.03537	2.3
245.09273	2.5
255.02982	4.5
273.78522	0.7
277.33334	0.7
279.06729	0.7
282.08856	0.7
283.09918	0.8
284.03299	13.4
285.03772	1.8
293.08362	0.7
294.08994	3.4
296.10507	1.0
297.07736	6.5
307.09814	0.7
308.10605	2.6
309.07697	17.2
309.11316	6.2
312.10056	18.9
323.09317	1.1
324.10071	27.7
327.12405	55.4
339.12387	50.0
357.13504	5.2
399.16617	27.4
579.13715	10.2
579.23065	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	579.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93420	0.6
51.28510	0.6
55.01871	3.2
59.01382	21.8
71.01375	8.9
75.00866	10.3
85.02953	1.9
89.02448	12.6
90.24333	0.8
96.96001	0.8
99.03902	1.0
99.04518	19.6
99.19154	0.7
101.02444	8.4
111.34251	0.9
113.02470	5.7
119.03487	3.9
119.05038	1.6
129.01979	3.0
131.03546	1.0
147.02927	1.3
152.73006	0.8
163.04028	3.0
165.04047	29.7
179.10759	1.6
189.12886	5.3
193.05119	1.4
207.13914	35.1
251.12874	24.2
309.07559	1.1
312.10104	1.3
324.10117	1.3
327.12466	4.9
339.12497	5.2
399.16675	5.8
431.19211	10.4
579.23138	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	579.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37225	2.0
57.03452	79.6
59.01101	3.9
59.01381	71.3
60.54076	1.8
65.06766	2.2
71.01378	10.8
73.02937	18.2
73.78120	2.2
78.52507	1.9
83.01424	2.7
85.02908	2.3
92.80933	2.3
99.04513	100.0
101.02437	31.4
102.59553	2.6
113.02415	5.0
115.00328	2.4
121.02944	34.1
125.02438	36.6
140.67062	2.4
143.03517	14.0
178.88658	2.1
192.36116	2.4
203.05658	4.3
204.22191	2.0
237.04039	11.8
391.19604	21.8
433.20853	11.7
491.25098	3.0
535.24036	39.8
579.23071	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	579.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18914	1.2
59.01373	2.1
60.41760	1.2
72.04763	1.3
81.34441	1.4
92.23080	1.6
97.78960	1.4
99.00880	2.5
125.09628	2.2
181.12361	7.5
191.18143	1.8
199.13562	1.7
207.10298	6.3
225.11392	12.0
243.12321	5.6
275.31329	1.7
279.23279	15.0
283.26477	19.0
300.10654	1.4
416.20740	1.7
432.23187	40.9
433.18817	2.3
433.24091	23.0
447.25586	84.4
448.26645	2.3
457.23788	8.5
460.22794	40.5
474.20554	5.8
475.25095	55.9
486.43481	1.7
488.22153	10.0
491.25204	2.7
492.25357	5.3
503.24579	11.8
547.23584	100.0
551.26886	2.1
579.26117	21.6
579.39063	24.2
594.76129	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	579.267
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	93.7
58.70657	1.4
59.01103	3.5
59.01384	85.2
60.58381	1.6
63.25274	1.4
71.01368	12.9
71.61842	1.7
73.02948	2.8
81.03455	1.9
83.01395	3.4
85.02957	4.4
87.78735	1.5
99.04510	100.0
99.05159	3.5
101.02433	40.9
104.87480	1.8
111.00860	2.3
113.02438	9.2
122.91232	2.0
124.82447	1.8
125.02435	41.9
126.24152	1.9
143.03488	3.6
159.02930	2.2
161.04559	8.5
256.04166	2.2
291.18094	3.6
333.19159	10.6
346.71271	1.9
417.28452	7.5
435.22372	52.1
435.29623	15.8
477.23581	12.5
477.30496	6.2
517.26123	2.6
579.12231	3.5
579.25793	41.1
579.35236	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	579.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	94.5
59.01384	74.4
59.01686	1.8
59.08798	0.8
65.66766	0.7
66.34146	0.7
71.01375	6.7
71.94383	0.9
73.02931	4.7
83.01370	4.1
85.02942	4.4
88.98804	13.6
88.99306	1.3
89.02425	2.4
99.00841	1.5
99.04516	71.5
101.02436	26.6
104.45211	1.0
111.08108	1.1
113.02469	7.2
118.13435	1.0
125.02427	23.8
143.03503	1.4
161.04590	6.1
291.18173	10.0
333.19156	2.1
435.22388	52.4
435.29269	4.4
477.23630	12.3
477.29898	2.0
579.26508	100.0
579.32727	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	579.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48484	0.6
57.03453	90.6
59.01384	66.4
71.01379	6.5
73.02942	0.8
74.81204	0.6
83.01373	2.8
85.02934	4.4
99.00844	1.1
99.04513	69.3
101.02441	25.8
109.55238	0.6
113.02453	5.5
125.02437	18.0
138.62540	0.8
143.03476	2.9
153.87447	0.7
161.04535	5.9
291.18146	11.7
333.19220	5.8
435.22382	63.6
477.23434	13.1
560.96844	0.8
579.26636	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	579.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74876	0.5
66.80344	0.5
71.01376	4.2
73.02948	1.1
78.86799	0.5
78.98589	3.7
79.95737	2.4
80.96513	36.7
85.02969	1.0
87.00852	1.2
89.01980	0.6
94.98079	10.0
96.95992	0.6
97.02923	2.9
101.02424	2.6
105.15804	0.7
106.98048	2.1
115.52593	0.6
122.97583	4.3
125.02459	2.9
134.97563	3.5
136.99135	2.4
148.99130	6.3
151.17004	0.6
152.98636	9.0
164.98633	14.8
182.99680	3.3
206.99690	4.2
225.00749	24.1
243.01811	4.2
279.23294	4.8
299.04376	3.8
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	579.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51077	0.5
58.29658	0.5
58.85257	0.5
61.98823	0.5
62.64100	0.5
62.93515	0.6
71.01373	4.1
73.02945	1.2
78.98596	3.2
79.95740	3.4
80.96514	34.5
81.72063	0.5
85.25328	0.6
87.00861	0.9
90.72954	0.6
94.98086	9.6
96.95988	1.1
101.02433	2.3
106.98071	1.5
114.27306	0.6
120.81139	0.9
122.97569	1.1
125.02414	3.7
134.97559	3.6
136.99155	1.0
148.99132	6.8
152.98643	5.1
164.98618	13.6
206.99660	3.2
225.00758	18.6
236.24495	0.6
277.67212	0.7
279.23340	2.4
299.04428	4.9
305.22836	0.8
421.50809	0.7
498.27267	0.7
502.92773	0.7
546.67725	0.7
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	579.3031
Annotation	Hordatine B
Peak:m/z	Relative Intensity
55.45390	0.6
57.03427	0.7
59.01377	9.1
71.01379	8.4
72.20516	0.6
72.99298	1.5
73.02962	0.8
75.00870	7.4
82.61553	0.6
85.02951	11.2
87.00861	3.3
89.02441	3.6
95.01374	1.5
96.95989	0.6
99.00851	4.7
99.08140	1.2
101.02412	0.7
103.00359	1.2
110.28339	0.6
111.00905	0.8
111.04506	0.8
113.02449	15.2
117.01923	1.3
129.01999	0.8
130.40565	0.7
136.16054	0.8
148.70514	0.6
171.10251	2.6
181.76152	0.6
183.13863	2.9
185.81564	0.7
209.11813	3.6
211.11417	1.2
211.13423	27.3
229.12222	1.0
229.14445	22.8
239.83240	0.8
249.06207	8.3
254.38568	0.7
259.24524	0.8
267.07196	1.2
285.07593	2.7
293.21371	1.1
311.22321	1.2
312.68115	0.6
325.77185	0.6
329.23376	24.1
331.25247	0.8
404.91367	0.7
408.20956	0.7
429.01785	0.7
430.75119	0.7
438.34674	0.7
493.30231	1.3
535.31470	3.1
579.30292	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.9
59.01380	10.7
71.01391	8.6
72.99305	1.9
73.02937	1.0
75.00870	7.5
85.02950	13.6
87.00874	3.0
89.02443	5.4
95.01360	1.3
99.00866	7.7
99.08172	1.2
103.00397	1.1
106.05996	0.7
113.02441	17.1
115.00317	1.1
117.01896	1.5
118.53911	0.8
124.32082	0.7
129.01932	0.9
171.10353	1.1
183.13846	1.2
193.12444	0.9
209.11833	1.3
211.13420	24.1
229.14450	14.2
249.06178	1.8
267.07236	1.7
293.21271	0.9
329.23349	18.9
579.30341	100.0
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
56.41017	1.3
57.03432	1.7
59.01382	16.3
61.98827	2.4
64.23935	1.5
65.73495	1.3
66.10577	1.3
71.01376	7.5
71.45797	1.2
73.02937	2.9
87.00854	2.0
88.98814	2.9
89.02440	7.5
99.04499	5.9
101.02418	8.2
111.08147	2.5
113.02408	5.8
119.32882	1.4
125.02429	1.5
137.09711	3.7
165.12836	39.8
183.13910	100.0
197.15524	13.6
200.04224	1.9
203.44614	1.5
207.13893	2.3
209.11911	8.9
213.05473	1.5
225.14986	8.4
227.12920	46.7
246.09541	1.4
251.12936	3.4
269.13950	6.5
299.14948	2.3
322.90149	1.6
329.16269	11.0
389.18286	26.0
579.31860	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	579.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.4
71.01376	1.7
73.02934	0.4
85.02959	0.3
87.88412	0.3
89.02459	2.4
101.02457	2.2
102.67508	0.3
112.20163	0.3
112.20929	0.4
113.02419	2.0
119.03452	0.3
143.03542	0.4
161.04561	0.7
199.40425	0.3
234.45166	0.3
235.08257	2.0
253.09331	9.5
283.26450	100.0
314.98657	0.4
519.35492	7.9
579.38538	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	580.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	7.6
61.98829	0.9
78.95911	7.6
80.64010	0.4
83.54265	0.4
98.88976	0.5
105.65280	0.4
152.99576	2.5
154.06702	0.5
168.04370	3.4
224.06958	7.1
242.07980	1.0
281.24881	100.0
506.32581	63.5
580.36078	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	581.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82210	0.7
59.50671	0.7
72.99254	1.0
91.66532	0.9
92.30939	0.8
93.03451	45.2
101.48032	0.8
108.02153	7.6
113.02452	2.0
120.38493	1.0
123.04523	13.7
137.02448	100.0
152.01152	23.3
167.03497	87.4
193.05009	1.1
443.12045	26.4
523.04114	1.0
581.15143	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	581.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43375	0.7
55.91727	0.8
56.10328	0.6
59.53669	0.7
59.77568	0.7
62.70926	0.7
68.88998	0.6
72.99287	1.3
88.98814	0.8
93.03446	44.1
99.00863	0.9
108.02177	7.8
113.02393	0.9
114.70870	0.7
123.04529	12.9
137.02437	100.0
149.06056	0.8
152.01147	26.1
167.03488	93.2
268.16150	0.9
298.90839	0.8
443.11960	25.3
581.15210	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	581.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71646	0.9
61.00470	0.9
62.59191	1.1
63.64663	1.0
66.45462	1.1
78.95903	31.8
89.49344	1.0
95.03204	1.2
99.92564	6.4
100.93363	8.7
115.92067	15.1
116.92849	18.1
127.66486	1.1
150.97987	2.2
152.99573	20.4
163.89699	1.6
164.90492	6.6
167.75909	1.1
171.00645	7.4
172.95464	1.5
178.88370	8.0
179.89244	16.3
180.90028	19.4
181.90779	9.9
196.89487	24.5
205.90802	8.6
206.91597	7.2
218.91623	1.2
219.92290	1.7
235.91806	8.2
236.92630	15.5
344.30353	1.5
363.05042	1.2
390.82651	1.2
416.25861	1.2
545.15723	4.4
581.18329	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92868	2.0
57.03452	18.9
58.44728	2.3
59.01375	8.9
63.04979	2.4
82.91397	1.9
85.02892	2.5
96.03782	2.0
99.04519	18.1
101.02455	3.6
106.77186	2.0
122.03750	2.7
125.02428	14.5
130.18965	2.3
135.87454	2.1
147.93318	2.5
149.02451	9.1
150.03230	63.5
162.16249	2.2
164.04836	2.5
165.05560	100.0
175.04010	9.8
180.04272	5.1
190.06337	10.0
195.06656	21.5
222.05330	4.5
226.71461	2.5
295.09619	4.5
321.07660	23.8
322.08490	2.5
323.09311	5.2
324.06512	4.0
324.09998	2.9
325.07211	12.9
337.07281	18.1
339.08722	14.0
340.09531	13.8
341.10205	2.6
354.10953	5.0
355.11923	15.8
367.11957	37.2
375.75473	2.4
437.08966	33.6
445.68228	2.3
479.09906	10.6
503.17139	9.8
533.18384	25.7
551.19226	11.2
581.12634	20.2
581.20428	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	581.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	63.4
65.85285	1.7
71.01385	39.3
71.01746	3.5
72.99296	2.7
73.02936	14.4
85.02937	10.2
87.00860	8.9
89.02443	51.5
90.93521	2.1
96.95980	3.1
99.00883	1.9
101.02454	18.7
103.04030	4.7
111.00866	12.0
113.02441	14.0
121.67493	2.0
121.75453	1.9
127.04001	3.3
128.08072	1.7
128.98286	1.8
129.01942	11.1
133.39688	2.2
141.01935	2.8
145.02927	33.1
147.04486	14.8
149.04533	14.0
161.02495	15.9
161.04549	9.6
162.03233	48.2
163.06134	18.0
164.04887	2.6
176.05988	2.3
177.05576	36.8
179.07092	3.3
249.07503	3.1
271.87646	2.3
285.06024	8.8
304.01437	2.2
339.06836	4.0
339.10864	100.0
413.66925	2.2
448.79611	2.2
503.17676	12.5
521.18945	22.7
581.21802	2.7
592.60675	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	581.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
66.53600	1.4
80.70869	1.4
87.51051	1.3
101.02425	2.1
107.14844	1.2
124.69756	1.3
134.03699	1.5
139.80579	1.7
145.02953	8.6
147.04494	3.0
149.02448	3.1
149.06091	2.2
160.01654	3.1
161.02455	5.7
162.03265	12.4
164.04796	12.7
165.05548	7.1
175.04037	6.1
177.01958	7.4
190.02667	17.8
191.03430	2.2
191.07196	2.5
192.04312	5.3
193.05075	7.9
195.06570	2.5
205.05063	20.8
206.05759	6.6
208.03847	1.9
213.78380	1.6
221.08188	6.8
223.06172	13.8
235.06079	2.5
265.07187	14.7
269.08099	2.1
295.08203	1.9
296.73447	1.3
299.09219	7.4
311.09378	10.0
314.11642	35.7
326.11679	21.1
329.13983	72.6
341.13992	44.0
359.15012	11.3
389.16248	2.1
491.13217	1.8
549.20111	2.0
563.17633	29.3
581.18188	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	581.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
72.43465	14.8
92.23139	18.5
125.93481	14.1
160.53996	17.6
299.45728	15.3
342.95572	17.5
349.71936	18.2
478.31924	19.0
525.84070	17.0
581.27551	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	581.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98301	1.3
57.03452	40.8
59.01384	31.8
71.01372	22.5
73.02942	15.8
78.26497	1.4
79.99175	1.3
81.03475	1.6
83.01385	2.5
83.25723	1.4
85.02946	11.6
87.00861	1.9
89.02453	12.3
97.02931	2.0
99.00903	11.8
99.04517	24.8
101.02444	50.0
113.02431	14.8
120.98284	1.8
125.02423	26.5
131.03409	3.3
134.03728	2.8
142.07004	1.8
143.03508	3.6
146.40237	1.5
159.03018	2.7
161.04564	16.9
193.05028	2.0
305.19711	30.3
337.78922	2.1
344.75143	1.8
345.51819	1.8
419.22897	10.2
437.23972	76.8
479.24942	13.2
519.28156	1.8
581.28174	100.0
581.37067	4.0
583.22894	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	581.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55859	1.0
55.69783	1.1
57.03453	38.2
59.01107	2.2
59.01382	37.0
69.73593	1.0
71.01379	21.3
71.83893	1.2
73.02944	15.6
83.01389	1.9
85.02956	15.4
87.00849	1.5
88.36031	1.1
89.02447	12.7
97.02988	1.7
99.00864	9.5
99.04505	25.3
101.02437	47.6
113.02448	22.4
116.04275	1.3
124.01541	1.4
125.02444	22.6
125.92964	1.2
131.03470	2.4
137.76570	1.3
140.21878	1.3
143.03465	4.7
159.02968	2.9
161.04555	16.5
215.24490	1.3
221.25110	1.6
297.94998	1.6
305.19739	37.4
392.43982	1.4
419.22845	11.2
437.23959	76.7
479.25113	18.1
581.28192	100.0
590.33020	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	581.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38689	1.0
56.18807	1.3
59.01380	2.2
71.01389	3.0
73.02945	1.6
78.08628	1.3
78.98586	2.2
80.96514	39.1
85.02954	2.6
85.06770	1.2
85.62780	1.3
87.00887	1.8
94.98074	11.6
101.02459	2.7
122.97603	1.8
123.01723	1.3
125.02470	2.8
134.97630	1.9
138.38165	1.5
148.99173	5.2
152.98640	8.7
164.98611	16.3
182.99681	2.2
195.36356	1.3
206.99706	2.7
225.00786	29.9
281.24875	5.6
294.81329	1.5
299.04376	5.3
370.76175	1.5
581.30133	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	581.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03470	0.6
59.01390	1.1
61.98806	1.1
71.01371	4.1
71.49033	0.7
78.98580	3.7
79.95744	1.4
80.96510	42.2
85.02928	1.6
87.00871	3.9
94.98081	11.6
101.02444	3.1
106.98085	1.9
122.97562	3.8
125.02442	3.9
134.97571	5.1
136.99174	1.6
141.88300	0.9
145.94785	0.9
148.99121	5.5
152.98601	8.4
164.98633	14.8
206.99686	3.6
225.00758	25.4
281.24893	3.7
299.04416	4.7
484.86639	0.9
551.97778	0.9
580.09045	0.9
581.30078	100.0
602.08148	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28046	0.5
52.07701	0.5
57.03451	0.8
57.26740	0.5
59.01380	12.0
71.01378	9.3
73.02934	3.9
75.00845	0.7
83.01390	2.6
85.02948	5.1
87.00871	1.0
89.02434	5.0
95.01398	0.8
99.00887	1.2
101.02437	9.1
111.00895	1.2
113.02438	5.8
125.02479	2.5
137.99007	0.7
269.21149	2.5
273.02380	0.7
287.22299	47.6
301.20313	1.1
301.23813	0.7
329.23361	0.8
431.26575	11.1
437.20447	0.8
449.27612	100.0
477.15057	0.8
521.29218	6.8
539.30603	3.2
581.31897	84.3
607.55353	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51115	0.7
54.52299	0.8
55.01888	0.8
55.87209	0.7
57.03445	4.9
59.01104	1.5
59.01382	25.4
59.21577	0.8
66.03812	0.7
71.01376	20.5
71.54337	0.9
72.74757	0.9
73.02943	8.8
75.00865	1.3
77.05758	0.7
83.01386	4.1
83.88685	0.8
85.02941	12.8
87.00844	0.9
89.02424	3.8
89.18862	1.0
93.07093	4.7
95.01353	1.5
99.00869	3.6
99.04505	2.0
101.02442	28.4
102.40955	0.9
106.62351	0.8
111.00855	2.2
111.28627	0.9
113.02451	14.9
125.02415	1.6
143.03513	1.0
149.06143	0.9
159.02966	1.8
161.04538	3.8
165.12813	5.2
175.04013	2.2
183.13910	5.4
193.05190	1.4
197.45671	0.9
229.18060	10.0
260.98755	0.9
312.42432	0.9
359.28110	1.6
472.31403	0.9
521.33350	100.0
581.24615	5.0
581.33087	2.4
595.23535	1.2
602.03931	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15337	0.3
58.12609	0.4
59.01382	100.0
103.18861	0.4
223.20992	0.4
223.24875	0.5
264.10086	0.4
267.57990	0.5
269.21402	0.6
277.21732	6.8
279.23248	1.0
291.23456	0.8
472.41043	0.5
497.57831	0.5
581.45270	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.54961	0.5
84.41411	0.5
119.64848	0.6
216.92862	0.7
244.26755	0.6
277.21616	5.5
277.29977	0.6
279.23245	3.4
359.99817	0.8
403.72836	0.7
581.46045	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	582.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51494	0.9
54.35536	0.9
58.02979	1.5
64.95241	1.4
70.80775	1.0
74.02459	7.3
76.38200	0.9
82.02984	1.4
85.04032	1.0
86.02470	1.9
89.91078	1.0
97.04066	5.0
99.05623	5.5
100.00409	6.2
102.00178	1.5
105.99652	8.3
114.00139	1.3
127.05125	1.6
128.01752	2.2
128.03540	43.7
141.03056	1.6
143.04628	33.4
146.04597	4.4
146.08247	18.4
153.06659	7.1
160.00693	2.3
169.06168	10.6
175.01814	11.6
176.06662	1.2
178.90976	1.0
179.04626	13.0
182.09381	1.3
185.03845	1.6
197.05652	2.2
203.04997	2.0
203.08260	1.2
206.93794	1.1
210.08807	5.5
217.11990	2.1
219.53899	1.2
238.08379	1.2
254.07785	4.8
272.08905	15.3
275.10767	5.7
277.12256	1.7
304.06128	13.8
311.95325	1.1
447.04947	1.2
453.14844	1.3
472.55856	1.2
564.17780	4.4
582.19196	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10859	0.4
54.73526	0.3
59.01380	9.3
63.81302	0.4
73.15693	0.3
78.95899	7.1
92.22685	0.6
117.74760	0.5
146.08556	0.4
152.99612	3.4
165.32539	0.4
168.04259	3.7
209.20093	0.4
224.06961	7.1
237.12721	0.5
242.07936	1.6
283.26443	100.0
299.03403	0.5
330.72818	0.5
508.34128	62.8
582.38055	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	582.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.9
99.86855	1.5
111.60656	1.4
112.58430	1.4
112.67194	1.4
125.09710	49.4
153.12833	15.7
172.09833	2.9
186.11383	30.2
194.15466	1.5
197.11855	18.6
211.13393	1.9
214.14565	15.3
215.12910	8.1
228.16125	2.1
232.69135	1.5
242.72406	1.8
265.01971	1.4
267.27652	1.5
338.51648	1.6
367.25812	13.2
395.29138	19.3
417.72162	1.7
427.21942	1.9
582.41284	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	582.413
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22340	0.7
57.03437	0.6
76.12197	0.6
86.06788	0.7
91.38990	0.7
97.06570	4.3
103.87916	0.8
125.09715	45.1
138.09247	0.8
151.60117	0.7
152.10774	2.8
153.12827	1.6
158.08162	1.0
167.14421	1.3
169.08711	1.0
172.09807	1.0
181.15997	12.2
181.62440	0.7
186.09763	1.2
186.11360	25.0
197.11804	2.9
211.13420	3.5
214.14464	3.4
225.14969	35.7
228.16029	3.5
229.14455	1.4
242.17642	21.5
243.16080	5.2
278.21390	0.9
322.20251	3.8
323.54120	0.7
339.22906	18.3
353.24359	3.2
367.26059	1.7
378.26617	1.4
395.29214	10.1
582.41296	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26234	1.1
78.95898	34.8
99.92587	5.2
100.93348	5.4
104.18736	1.1
115.92067	19.9
116.92860	19.8
122.90816	1.0
128.37634	1.1
142.94398	1.2
150.97974	4.5
152.99580	22.4
157.47014	1.3
157.98793	1.1
164.90491	1.4
171.00621	2.4
172.95474	2.0
173.48264	1.1
178.88440	10.0
179.89258	14.6
180.90018	13.3
181.90771	6.8
196.89503	21.8
200.19472	1.0
205.90823	7.9
206.91592	3.7
221.90225	1.1
235.91808	4.7
236.92610	10.8
255.23419	7.8
440.90393	1.0
462.63196	1.3
475.15616	1.8
492.15952	1.3
547.17993	2.0
583.19873	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	583.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87757	0.5
56.00580	0.5
56.44069	0.5
56.46637	0.5
59.01377	1.4
63.86626	0.5
71.01354	1.1
80.18430	0.6
89.02419	0.7
92.79057	0.7
99.04550	0.8
101.02403	1.1
121.02869	0.8
122.03738	5.0
133.02946	0.9
149.02434	19.2
150.03224	80.4
152.09467	0.6
153.05676	0.6
156.17757	0.6
164.04788	9.5
165.05563	100.0
175.03949	1.0
177.05539	1.3
180.04295	9.2
191.07230	0.6
192.07857	0.8
195.06631	38.7
233.03914	0.6
281.19812	0.7
284.03210	2.5
295.60120	1.0
297.11172	1.0
299.05768	7.0
307.09760	0.7
308.10593	1.2
309.07925	1.3
309.11545	0.7
311.09213	1.4
322.08377	2.8
323.09146	4.1
324.06561	0.9
324.09998	2.6
325.10757	3.2
326.11771	6.3
327.08945	8.6
327.12503	1.1
339.08774	14.7
339.12405	2.2
341.13760	1.4
342.10928	8.5
354.11069	3.9
357.13483	14.9
369.13428	24.3
443.15515	0.8
461.16144	2.5
472.15344	1.2
475.13828	0.7
489.15677	1.4
505.18625	3.7
535.19830	42.9
553.20679	0.9
583.21790	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	583.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77774	1.3
57.03452	22.7
59.01112	1.2
59.01382	27.2
59.24272	1.3
60.94710	1.3
71.01376	21.1
73.02937	9.8
85.02941	10.3
89.02438	11.0
95.01340	1.3
99.00862	6.6
99.04512	15.7
101.02438	34.2
108.81913	1.4
113.02449	16.1
125.02402	14.6
130.01688	1.4
131.03439	2.0
143.03485	3.0
159.02948	5.7
161.04544	18.6
172.12619	1.3
194.79004	1.3
227.14046	2.7
237.93439	1.4
285.03625	2.1
286.03699	6.3
287.04440	2.4
288.04196	1.5
307.17667	21.9
378.32312	1.4
398.34402	1.5
421.20721	8.6
439.21872	56.1
454.42429	1.5
466.69699	1.7
481.22998	9.8
583.14874	8.1
583.26007	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	583.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42263	0.5
59.01370	2.7
60.40058	0.5
71.01369	3.0
73.02959	0.8
78.98575	4.0
79.43357	0.5
79.95731	2.6
80.96512	35.2
81.03455	0.6
85.02956	1.1
87.00878	1.1
90.75757	0.5
94.98078	10.3
97.02937	1.3
101.02427	2.6
105.03989	0.5
106.98064	1.0
122.97552	2.8
125.02426	3.3
134.97574	2.7
136.99141	1.2
148.99110	6.8
152.98631	7.5
164.98602	15.1
206.99724	3.7
225.00748	27.3
261.33456	0.6
268.97766	0.7
283.26410	3.0
299.04434	4.8
299.07309	0.7
583.31641	100.0
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
59.01375	6.1
70.38361	1.1
71.01373	4.6
77.72420	1.0
79.95734	1.2
80.96518	33.3
85.02928	1.9
87.00892	1.7
94.98069	10.9
101.02426	2.1
106.98044	1.6
109.33957	1.0
122.97553	1.1
125.02439	2.3
127.03992	1.3
134.97583	4.7
136.99228	1.6
146.62056	1.2
148.99147	1.6
152.98593	5.0
164.98666	11.9
164.99860	1.7
201.26715	1.1
206.99719	2.0
225.00737	21.6
283.26343	2.3
299.04437	4.4
324.68591	1.2
362.25317	1.2
402.24570	1.4
426.94473	1.1
465.35870	1.1
480.22708	1.2
529.97028	1.2
583.31622	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	38.5
57.37741	2.2
59.01387	18.4
61.73037	2.1
74.42704	2.4
88.03468	2.6
99.04519	42.8
101.02411	3.8
106.09128	2.5
125.02457	30.3
159.40094	2.7
165.12897	3.2
196.45203	2.5
217.62813	2.4
222.19000	2.6
254.79364	3.0
428.24713	2.9
539.15833	3.0
583.21991	3.9
583.34106	100.0
594.92413	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	583.386
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.14701	0.8
78.90804	0.9
98.27846	0.8
104.14535	0.8
125.78326	1.0
209.63869	1.0
248.93100	0.8
277.21771	8.4
295.41922	1.0
316.43744	1.1
583.41547	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41991	1.7
63.83114	1.5
125.09710	3.6
153.12852	2.1
170.11867	11.1
181.15988	9.0
197.11903	2.4
200.12881	2.6
214.14502	15.0
225.14972	21.0
242.17635	100.0
243.15930	2.7
339.22964	3.4
413.30011	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	585.1467
Annotation	3-benzyl-3,6 -bis(cysteinylglycine)- 6-(hydroxymethyl)-DKP
Peak:m/z	Relative Intensity
52.39357	0.6
59.54551	0.7
60.66784	0.7
60.92971	0.7
70.91868	0.7
78.95902	4.1
93.03446	3.9
96.95970	1.3
101.02470	1.0
108.02166	25.2
109.02935	7.1
110.03594	7.4
117.86411	0.9
118.67624	0.8
134.04738	7.7
136.15561	0.8
137.02449	17.8
151.04016	1.9
151.99915	1.9
152.01146	53.4
153.01930	38.1
163.03996	1.0
164.07178	1.1
189.50563	1.0
210.74513	0.8
246.67717	1.0
285.06180	100.0
294.99280	1.0
299.07745	5.1
306.10870	1.0
357.05420	0.9
585.14734	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	585.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25196	0.3
54.68962	0.4
57.03453	12.2
59.01128	0.4
59.01387	4.3
61.61832	0.4
64.53221	0.4
65.71412	0.3
66.68813	0.4
70.44555	0.4
71.01376	1.9
73.02942	2.5
83.01387	0.5
85.20779	0.4
89.90044	0.4
91.13581	0.4
97.02985	0.6
99.04514	12.8
101.02442	3.7
103.12366	0.4
113.02437	0.5
117.03471	0.9
125.02439	13.4
132.02122	0.6
134.03745	24.5
149.05060	0.5
149.06091	5.4
152.01175	1.1
160.01663	25.8
175.04007	100.0
176.04791	2.2
178.02716	1.9
191.07169	2.4
192.04366	0.5
193.05074	42.7
196.10594	0.4
202.02731	0.8
204.83163	0.5
207.06639	2.2
217.05077	3.4
235.06081	3.4
247.99150	0.4
337.09351	0.7
379.10153	0.9
397.11438	39.8
405.86832	0.5
431.53293	0.6
439.12506	28.7
467.48508	0.5
541.15686	5.8
585.18042	0.8
590.73651	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	13.5
59.01379	7.3
62.47050	1.2
69.68362	1.3
73.02948	2.4
73.46705	1.3
90.07990	1.3
99.04510	9.8
101.02453	3.3
113.02464	1.9
125.02444	14.9
134.03745	27.3
149.06062	6.7
160.01675	24.8
175.04013	100.0
176.04747	2.2
191.07219	2.7
193.05063	35.3
217.05208	2.4
235.06226	2.3
397.11401	45.0
439.12518	28.2
541.15942	3.2
585.18164	2.4
585.32593	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	585.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51678	0.5
59.01361	1.2
61.98830	4.4
65.57858	0.5
71.01362	0.9
72.99306	1.2
76.33340	0.7
93.03451	21.7
96.96008	0.7
97.63509	0.6
99.00829	0.8
101.02411	0.7
101.52763	0.6
109.06605	1.1
113.02401	1.1
115.00343	1.0
121.02805	0.7
127.07647	47.2
133.01454	4.3
137.02440	100.0
171.06587	7.5
358.31073	0.7
413.11075	1.0
431.11969	6.2
585.18286	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	585.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50299	0.8
55.12632	0.7
56.65667	0.8
57.03452	1.3
58.61396	0.8
59.01384	17.7
60.10221	0.9
61.20803	0.9
71.01380	7.2
73.02940	4.8
74.35836	0.9
85.02947	2.3
89.02430	4.0
90.59544	0.9
96.18224	0.9
98.68636	0.9
99.04517	1.7
101.02433	8.4
109.68003	0.9
113.02446	1.5
117.03471	5.9
125.02451	1.9
134.03735	100.0
144.68846	1.1
149.02390	2.0
149.06094	13.7
150.03214	10.2
152.58151	0.9
160.01640	11.1
161.04562	1.3
161.50272	0.9
164.04770	0.9
165.05547	12.6
175.04024	17.5
177.25162	0.9
180.04312	1.1
193.05072	91.6
195.06689	3.6
208.07362	1.1
235.11832	5.6
244.28476	1.1
266.75806	0.9
328.12756	1.1
359.14981	5.6
396.18869	1.0
449.25848	1.0
537.21271	5.6
543.20648	2.2
549.40509	1.0
585.22186	27.7
585.28998	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	585.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71851	0.4
55.11646	0.5
59.01371	4.8
70.33781	0.5
71.01375	2.5
79.26694	0.6
83.25508	0.5
86.45803	0.5
89.02419	2.1
89.32442	0.6
96.96005	4.3
101.02433	3.0
101.48281	0.6
103.31590	0.6
113.02435	2.1
150.07724	0.7
156.92760	0.6
161.04494	0.6
290.38586	0.6
292.01984	0.6
293.17493	0.6
302.98535	0.6
353.12546	0.7
441.19656	0.7
448.34814	0.7
516.20917	0.7
549.25635	5.0
585.23322	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.7
59.01377	9.5
63.47864	0.8
67.34672	0.7
71.01366	5.4
87.00854	1.4
89.02453	9.3
93.60625	0.8
97.06590	1.5
101.02443	5.9
113.02423	2.1
115.40434	1.0
119.03454	1.1
123.08109	1.0
125.02454	1.0
125.09710	72.1
140.79073	0.8
143.10718	1.0
161.04668	0.8
169.08733	4.9
170.91670	0.8
187.09769	91.2
191.57202	0.9
221.06635	1.6
261.13379	1.1
460.46573	1.1
559.21692	0.9
569.38708	0.9
571.04236	0.9
585.24103	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	5.4
63.67365	0.6
71.01374	4.5
79.50764	0.9
84.52181	0.7
89.02451	5.7
89.90949	1.0
97.06599	1.6
101.02422	5.2
111.27178	0.7
113.02460	1.3
123.08139	0.9
125.09715	66.1
158.53955	0.8
159.11044	0.8
169.08658	3.7
181.15625	0.8
187.09761	95.0
191.05493	0.8
221.06834	0.9
223.62108	0.8
264.65991	0.9
286.59915	0.9
300.36270	0.8
414.10666	1.0
450.55368	0.9
521.61414	0.8
585.24078	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51425	0.8
54.23378	0.8
61.98839	4.1
62.19014	0.8
69.33301	0.9
84.75830	0.9
84.93883	2.1
89.99691	1.0
99.92580	41.5
100.93356	21.9
106.84181	1.1
115.92068	71.5
116.92850	29.0
117.93620	5.6
118.85963	0.8
123.06161	1.2
172.13994	1.2
279.23318	1.5
393.31812	13.7
454.18546	1.1
461.25415	1.9
479.26572	8.1
481.23898	1.8
493.24234	5.8
511.25620	7.2
514.59174	1.1
523.25262	52.4
541.26263	5.2
567.24518	2.4
585.25348	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.2
59.01380	10.1
61.98819	1.6
69.03456	1.0
71.01373	11.9
73.02933	9.8
83.01379	1.8
85.02924	5.5
89.02429	4.3
97.02905	1.1
98.20866	1.0
99.00872	1.9
99.04475	4.3
99.47565	1.0
101.02427	19.8
103.04023	0.9
111.08118	1.0
113.02458	7.0
114.85229	1.1
116.87917	1.0
125.02436	1.5
139.07559	1.6
150.03223	30.8
161.04485	5.1
165.05565	97.0
165.12837	14.5
183.13904	19.2
203.14406	1.3
205.99466	1.1
207.13922	1.9
213.07568	1.1
216.66451	1.0
221.15526	2.2
227.12894	5.7
231.13802	1.9
233.11806	5.0
235.57257	1.0
237.14842	1.3
249.14966	1.6
251.12724	2.0
265.14389	5.7
291.18024	5.6
293.13934	8.9
325.22009	1.0
371.17160	11.1
403.42056	1.1
423.17313	1.6
423.22388	21.5
585.25891	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	9.0
59.01374	8.3
71.01392	2.2
73.02940	1.7
83.01359	1.4
99.00914	1.6
99.04504	12.2
101.02438	8.1
109.21577	1.7
117.03454	5.1
125.02433	7.8
134.03738	84.8
137.43997	1.5
143.05339	1.4
149.06056	13.9
157.08269	1.4
160.01653	7.5
175.03992	17.2
193.05060	100.0
270.52692	1.6
277.16556	2.1
441.08765	5.2
585.12640	1.8
585.16467	1.9
585.25238	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	585.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26889	2.1
53.47120	1.9
59.01376	3.1
61.98827	45.9
64.16319	2.6
68.06152	2.1
73.02956	2.5
81.45026	2.1
94.06660	4.5
115.92041	3.7
116.92879	4.4
132.45090	2.8
160.67506	2.3
178.75598	2.4
201.10327	5.5
204.77061	2.5
211.08778	20.8
213.10309	5.8
223.08807	3.6
225.10342	14.3
227.11803	4.1
233.12674	2.4
239.08290	3.0
239.11836	17.0
241.09833	9.8
241.13429	3.9
253.13528	3.2
259.68900	2.4
269.76425	3.0
271.47598	2.3
273.12448	14.2
293.37262	2.9
330.16058	2.9
344.17520	3.4
346.19492	3.7
411.18365	3.4
425.20016	4.1
440.22116	4.5
453.23108	10.1
465.19650	3.6
467.25018	3.7
479.20969	8.6
496.21478	4.2
497.22131	37.8
511.23615	33.7
523.25385	4.1
526.25909	95.9
541.28284	43.6
570.24945	50.5
574.46204	2.8
585.27112	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	585.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15152	0.4
55.01875	0.9
57.03443	0.5
59.01381	25.0
61.93912	0.4
62.07819	0.4
69.89523	0.4
71.01006	1.0
71.01379	22.0
73.02945	9.4
75.00893	0.5
75.95447	0.5
83.01382	3.5
85.02950	6.8
85.06197	0.5
85.49874	0.4
87.00856	3.2
89.02439	15.0
97.02945	2.2
98.82195	0.6
99.00888	10.0
99.34305	0.5
101.02441	31.5
105.38737	0.5
106.58086	0.6
113.02436	13.7
119.03509	2.6
125.02457	4.7
131.03491	0.7
141.01886	0.7
141.45732	0.7
143.03462	2.8
161.04546	9.4
178.80153	0.6
268.75174	0.6
291.18335	4.0
453.23401	7.3
585.27747	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93949	0.7
55.01865	1.1
56.24991	0.7
59.01385	21.3
61.98834	25.3
64.81622	0.6
71.01012	1.1
71.01381	23.5
71.01781	0.9
73.02947	11.0
74.18168	0.6
83.01367	6.3
85.02944	13.2
87.00880	0.8
89.02438	12.8
95.01383	2.9
97.02934	0.8
99.00868	5.1
101.01768	1.4
101.02435	35.0
102.73539	0.7
103.48995	0.7
106.11347	0.7
113.02429	16.5
115.04000	0.8
119.03492	1.3
125.02415	6.1
131.03484	1.5
143.03488	1.2
159.03018	3.2
161.04555	7.2
165.05627	1.0
221.96005	0.7
237.13068	0.7
291.18143	11.3
323.38528	0.7
423.22409	10.7
453.23624	4.4
461.60538	0.7
525.29327	6.1
585.27734	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44672	0.4
53.92295	0.4
54.09612	0.3
55.01865	0.6
57.03444	0.9
59.01384	21.5
61.98818	0.6
69.03457	0.5
71.01378	21.7
72.06168	0.4
73.02942	11.1
83.01386	4.2
85.02943	9.6
85.80479	0.4
87.00864	1.1
89.02438	15.4
92.23185	0.5
95.01360	0.9
97.02940	2.6
99.00866	5.5
99.04521	0.8
101.02438	35.4
108.02047	0.4
113.02437	14.4
119.03491	3.0
125.02411	4.8
125.28796	0.5
131.03531	0.6
143.03528	1.0
159.02974	2.3
161.04559	10.1
193.05103	0.5
291.18167	14.2
423.22510	10.8
427.60141	0.5
453.23370	2.5
585.27722	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	585.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
57.03445	2.5
57.54208	0.4
59.01386	38.8
61.98838	0.9
71.01381	26.7
72.99297	0.9
73.02940	6.2
83.01383	2.7
85.02946	9.3
87.00865	1.9
88.98788	0.5
89.02441	27.6
92.23106	0.5
95.01382	2.6
96.96003	0.4
99.00899	3.5
99.04529	1.9
101.02445	26.3
111.00855	0.7
113.02450	17.0
117.05154	0.5
119.03511	8.5
125.02438	2.5
131.03493	2.4
135.61827	0.5
143.03482	1.6
161.04564	5.0
169.53896	0.4
179.05608	2.6
184.61295	0.5
223.82094	0.4
233.06728	0.5
291.18216	5.8
293.08951	0.5
367.37244	0.5
423.22406	8.0
451.22366	0.6
525.29022	3.6
585.27802	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95200	0.6
54.31822	0.6
57.03456	6.6
59.01381	30.6
60.19731	0.6
61.98838	3.1
71.01379	28.4
73.02943	7.7
75.75015	0.7
76.23917	0.6
83.01388	3.1
85.02955	10.8
85.56024	0.6
89.02438	14.9
92.23116	1.1
95.01362	1.0
97.02937	1.1
99.00898	3.4
99.04517	9.3
101.02444	29.3
102.26587	0.9
111.00864	3.3
113.02437	13.8
125.02412	8.0
129.83858	0.8
131.03499	7.9
142.29814	0.7
143.03435	3.3
149.04578	1.2
159.02982	1.0
161.04558	5.6
175.89812	0.8
190.39777	0.8
193.05002	1.5
233.06610	1.1
393.22754	3.4
447.69913	0.7
525.27094	100.0
585.32043	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33395	0.6
57.03441	0.7
59.01368	1.2
61.98827	1.4
70.02960	6.1
71.01390	0.7
73.04070	0.8
77.46194	0.7
84.34377	0.8
96.00917	3.9
99.61699	0.7
113.03574	9.0
114.01950	19.7
115.05110	5.5
129.10347	3.7
131.04608	16.1
139.07622	1.0
140.07185	1.4
154.09793	0.9
172.10899	1.6
180.50410	0.7
196.10918	13.9
205.12311	1.0
207.15019	15.0
211.14462	3.2
214.12044	9.5
217.63062	0.7
224.17656	3.3
226.12007	2.9
232.87320	0.8
242.18779	19.3
251.93121	0.8
279.12161	1.1
323.24573	18.5
341.25610	20.8
350.78775	0.8
369.80060	0.9
398.27740	5.9
412.29190	1.4
440.28882	14.9
537.30084	0.9
555.31378	5.7
567.31696	1.4
585.32617	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.131
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87048	0.4
55.07553	0.3
64.56948	0.4
78.65434	0.5
78.95901	18.7
96.96014	3.3
96.96947	4.6
98.02472	0.6
101.10776	0.5
111.01996	100.0
113.03568	1.9
114.77061	0.5
130.08737	5.7
134.04727	16.6
138.98148	0.5
141.10309	0.6
183.11308	0.5
204.67674	0.5
211.00111	0.7
225.01741	1.8
227.10376	0.7
244.13011	9.1
302.61041	0.5
346.05521	3.2
402.08835	0.6
460.38126	0.6
474.10107	0.8
506.82880	0.6
586.13147	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	586.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26011	0.7
64.04964	0.7
75.05507	0.8
78.95900	36.1
96.95992	9.7
96.96935	7.9
99.84746	0.8
107.03671	1.3
111.01997	24.5
128.03549	0.9
130.08737	1.4
134.04721	100.0
135.05095	1.1
169.27867	0.9
190.60904	0.9
205.44136	0.9
225.01712	11.7
244.12988	4.8
323.02628	1.2
360.07153	1.8
451.07404	1.4
473.19406	1.1
543.12958	1.2
586.13141	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	586.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60141	0.9
51.71516	1.0
52.31750	1.2
57.44631	1.2
68.71535	1.4
71.06673	1.2
73.04058	1.5
87.05617	2.0
92.23058	1.7
102.05599	15.9
113.22495	1.6
115.05138	14.4
126.06667	1.6
128.03534	60.9
129.10457	1.7
130.08748	16.1
137.02501	1.6
140.07227	2.4
144.07736	2.1
146.04585	24.8
149.99809	1.3
164.03090	1.5
168.07776	17.0
180.10155	1.6
186.08798	8.3
215.14088	2.0
225.16006	2.2
252.20711	1.5
268.01947	1.6
270.21817	3.0
314.21124	2.9
370.18176	1.7
399.26074	6.5
413.24002	12.0
457.26465	2.5
542.28619	11.8
565.00488	1.8
580.23236	1.5
586.30994	100.0
591.46295	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	587.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.3
57.78548	0.3
59.01379	1.6
64.27153	0.3
66.34291	0.3
66.37370	0.3
67.65725	0.3
69.41843	0.4
71.01395	0.3
72.99311	1.5
83.05038	1.6
84.01463	0.3
85.02953	0.5
88.21986	0.3
93.03451	24.0
98.23503	0.4
99.00883	0.3
101.02505	0.5
109.06599	0.4
111.08153	35.9
113.02402	0.5
129.09222	2.1
137.02441	100.0
143.03482	0.4
161.04532	0.4
173.08191	53.1
179.03575	0.5
197.08188	0.6
226.62625	0.4
252.16785	0.4
255.06422	0.4
299.07379	0.3
347.17987	0.4
413.11014	2.7
431.12030	2.3
587.19885	82.3
590.15729	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38845	0.3
57.03452	7.4
59.01378	3.6
65.00314	0.3
67.97630	0.3
69.15631	0.3
71.01364	0.7
81.09063	0.3
85.02957	0.4
93.03445	5.8
94.98100	0.5
96.96004	0.8
96.96965	0.3
99.04510	12.4
100.38999	0.3
101.02463	2.5
113.02445	0.5
114.41224	0.3
121.02956	0.4
125.02430	8.2
143.03470	0.5
143.10832	0.5
151.00397	0.8
157.12328	0.6
161.04597	0.4
163.00359	0.8
165.01924	33.5
173.08195	0.4
178.02696	2.4
179.72314	0.3
190.76855	0.4
206.02110	0.4
212.04805	2.0
240.04309	7.4
243.06665	4.1
255.02888	0.7
255.06635	2.4
256.03772	3.6
271.06152	44.8
275.26950	0.3
283.02539	8.1
283.05801	0.7
284.03275	13.5
297.04028	5.9
298.04846	5.2
299.05640	100.0
312.06274	0.5
341.06741	3.8
443.03931	0.6
485.04709	0.7
494.31314	0.4
527.28662	2.5
543.09235	0.7
551.09784	0.5
587.07849	2.0
587.21436	9.1
587.33496	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	587.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	2.0
59.01373	3.1
65.17739	1.4
68.34442	1.6
69.97467	1.3
73.30561	1.4
74.02468	19.1
87.83124	1.4
92.05016	1.5
92.31559	1.5
96.95979	2.2
99.04505	3.0
114.92192	1.7
116.05028	10.6
125.02402	2.4
131.03763	3.3
132.04546	18.6
157.07608	3.1
158.06071	2.8
159.09135	1.8
174.59984	1.5
175.08739	10.3
194.11856	23.1
203.08270	33.8
208.89479	1.6
219.07724	6.6
229.91695	1.7
234.47920	1.6
238.10838	3.3
316.58591	1.8
323.17548	2.5
587.25183	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01100	0.7
59.01379	12.6
71.01373	8.1
83.15515	0.4
85.02929	0.5
85.06583	2.6
87.00864	0.6
89.02435	17.3
96.96025	0.8
101.02422	9.6
113.02453	5.3
113.06094	5.0
115.07683	0.5
116.83472	0.4
119.03487	8.1
123.04487	0.5
131.03500	0.5
131.07132	38.4
149.04544	0.6
161.04538	0.6
162.39209	0.4
163.04045	0.7
165.05530	0.7
173.08215	2.4
179.05621	2.2
228.19333	0.5
257.18570	0.5
293.12448	100.0
352.18079	0.5
530.20013	0.5
587.20990	0.7
596.25012	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	100.0
59.01099	3.4
59.01382	78.7
61.98844	3.5
69.77011	2.1
71.01385	3.3
73.02913	1.8
83.05023	1.9
99.04516	94.9
101.02422	21.2
125.02443	36.6
143.03517	3.5
147.23357	1.9
164.31224	2.1
165.38864	1.8
187.09807	1.9
197.11775	2.5
214.14517	12.1
215.12830	2.6
242.55110	2.1
261.20197	1.9
278.61636	2.0
543.28284	8.3
571.38635	2.4
587.31592	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	587.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72142	1.1
55.35086	1.0
57.03453	100.0
59.01384	79.0
61.98830	1.7
62.69503	1.0
63.22829	1.2
63.26505	1.1
71.01378	2.2
71.72860	1.1
81.03449	2.2
85.02962	1.6
96.96001	1.9
97.56470	1.0
99.04514	96.0
100.11803	1.2
101.02431	20.4
105.89716	1.3
113.02435	1.6
114.02419	1.2
125.02434	40.4
143.03473	3.1
165.91461	1.5
214.14520	4.5
220.30092	1.2
291.19791	2.2
299.35330	1.3
301.41263	1.3
441.24664	2.1
543.28094	10.3
587.33978	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	587.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	11.4
63.27999	1.2
64.06858	1.1
71.01387	8.7
72.99316	1.6
75.00860	12.4
85.02942	10.5
87.00863	2.5
89.02402	1.4
95.01399	1.4
99.00879	8.2
103.00372	1.7
113.02452	15.7
117.01949	2.2
127.43950	1.4
129.87820	1.4
154.99594	1.7
165.12863	1.4
200.50243	1.6
209.81451	1.5
231.05154	1.8
248.39575	1.7
249.06190	20.7
255.23317	100.0
289.05569	2.1
351.27591	1.3
505.30243	71.9
527.28479	18.6
580.07776	1.6
587.30420	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	587.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86927	0.6
57.03451	13.5
59.01100	0.8
59.01381	16.5
61.98841	1.1
68.34091	0.7
71.01353	1.2
80.47121	0.8
92.22626	1.2
97.06549	1.8
99.04511	12.6
101.02447	5.8
111.07432	1.3
111.08153	30.5
112.33431	0.9
113.02429	0.8
121.10197	1.9
123.08153	0.9
125.02415	6.6
125.09711	59.7
143.03514	0.8
161.04524	1.0
169.08672	1.6
169.82616	0.8
169.95584	0.9
173.08186	43.8
185.11829	5.1
185.13327	0.8
187.09761	72.9
214.14433	1.3
225.11369	1.4
243.12328	1.3
247.11844	9.1
253.09082	1.0
261.13431	11.5
291.19666	31.3
344.94937	0.9
417.21533	5.7
431.22583	1.1
439.44296	0.9
473.93475	0.9
501.06854	1.0
527.28656	13.3
587.30750	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	587.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02800	64.6
51.38310	70.9
54.86763	74.0
63.41719	82.6
88.95975	91.2
92.19120	100.0
224.39775	91.2
351.11356	94.8
416.66827	93.6
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
50.49265	1.7
59.01387	3.4
59.70206	2.6
61.98846	3.3
121.10231	19.6
121.47840	2.2
168.02754	2.3
171.10269	36.2
183.13841	2.6
231.21149	4.0
275.20212	63.6
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	588.4772
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02248	0.9
55.89305	0.8
64.58830	0.9
66.68928	1.0
79.95735	6.5
80.96507	7.3
84.27739	0.9
175.19962	1.0
255.19557	1.8
287.77036	1.1
317.21503	1.4
325.70483	1.2
332.22568	1.6
333.21082	9.5
350.23792	18.6
366.29495	1.0
378.23270	2.0
384.53937	1.0
438.82993	1.1
520.96173	1.2
552.49933	10.8
588.42255	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	589.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46202	0.5
59.01384	0.9
61.47906	0.5
63.80860	0.5
69.53383	0.5
71.34549	0.5
72.99300	1.3
75.00870	100.0
75.66219	0.6
75.94912	0.6
76.46403	0.6
83.87371	0.5
87.67274	0.5
92.22532	0.7
101.72967	0.5
117.41322	0.6
126.58741	0.5
152.69273	0.6
167.01311	0.6
196.38016	0.6
207.77599	0.7
249.17732	0.6
270.31287	0.6
293.21420	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	589.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75407	0.8
57.02535	0.7
57.03491	0.7
59.01387	22.6
63.78203	0.8
71.01378	3.6
71.05022	1.8
71.88369	0.8
73.59146	0.7
89.02435	5.6
93.75242	0.9
99.04498	1.0
101.02441	6.1
113.02412	1.7
118.43024	0.8
119.03491	1.2
125.02421	0.9
188.02618	0.8
209.15433	1.2
223.17043	3.6
231.21132	1.0
235.08246	1.0
235.17033	23.6
253.09306	25.7
275.20187	23.9
293.21274	100.0
417.69635	0.9
475.87686	1.0
482.58813	0.9
493.10416	0.9
529.30115	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	589.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47230	0.4
59.01380	7.5
61.98831	1.2
63.35459	0.5
69.67094	0.5
71.01384	2.1
73.58498	0.5
76.42314	0.5
78.00446	0.4
78.82769	0.5
89.02443	2.9
92.22535	0.7
101.02446	2.8
109.67100	0.4
113.02437	0.9
113.09715	10.7
119.03475	0.7
120.77456	0.4
139.11353	0.6
147.32928	0.5
161.04523	2.1
167.10721	1.9
171.10101	0.5
177.12891	0.7
179.10759	2.8
195.13930	2.2
249.22292	2.8
253.09311	9.3
275.20190	1.1
293.21268	100.0
343.45605	0.6
464.63919	0.5
529.22168	1.1
529.30237	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	589.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	2.6
59.01380	19.2
60.89380	0.6
62.72289	0.5
64.92722	0.5
71.01383	3.4
71.05015	3.0
73.02931	0.7
76.81748	0.6
89.02438	5.2
99.04497	1.4
101.02439	5.7
113.02428	3.4
121.80676	0.6
131.22464	0.6
160.68095	0.7
161.04535	3.0
167.12251	0.8
209.15480	1.4
223.17026	3.7
231.21201	1.1
235.17044	27.0
235.61470	0.7
253.09314	23.5
261.12302	0.6
275.20215	27.9
293.21246	100.0
355.17822	0.7
394.87512	0.7
468.12439	0.8
529.30304	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	589.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.4
59.01384	5.9
60.30613	0.4
61.98822	0.6
64.31144	0.3
71.01364	1.0
85.02944	0.5
89.02430	2.4
89.27709	0.4
93.01073	0.4
101.02439	3.3
106.44315	0.4
109.06577	0.4
113.02448	0.9
113.09725	7.1
119.03484	0.6
125.09709	0.5
152.48514	0.4
161.04585	0.8
167.10812	2.1
179.10782	1.8
185.11862	1.7
195.13872	0.8
249.22252	1.0
253.09331	7.3
274.88333	0.5
293.21259	100.0
338.56021	0.4
529.30273	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	589.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
59.33738	0.6
66.13526	0.6
83.03860	0.7
96.84228	0.6
98.68008	0.6
105.62679	0.7
131.61272	0.7
170.07840	0.6
173.24748	0.6
177.69775	0.7
205.52583	0.8
215.37407	0.6
277.21722	15.8
311.63577	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
59.45625	0.4
74.48792	0.4
88.76733	0.5
92.71880	0.5
94.09941	0.5
97.74689	0.5
98.57869	0.5
105.49783	0.5
111.60988	0.5
167.61737	0.5
176.59006	0.5
241.06949	0.5
279.00537	0.6
343.39816	0.7
407.79401	0.6
440.82776	0.6
529.35645	2.0
589.37750	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89195	0.5
54.14327	0.5
59.01382	100.0
63.62505	0.5
86.49077	0.6
115.41548	0.6
131.50305	0.7
134.96892	0.6
148.10394	0.7
204.47452	0.7
293.21252	1.3
347.97629	0.8
366.98590	0.6
529.35779	0.8
589.37555	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	589.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.2
59.01382	100.0
99.04507	3.2
116.92812	2.1
152.99577	6.6
156.51161	1.6
279.23346	28.4
375.02817	1.8
467.18607	1.4
507.27353	23.4
529.35596	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	589.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78718	0.7
59.01382	100.0
64.43384	0.9
91.67136	0.9
134.05449	1.1
157.92087	1.1
174.00314	1.0
176.40819	0.9
255.23389	10.6
255.25774	1.3
318.97867	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	590.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61029	0.5
60.74571	0.5
66.50211	0.5
79.75215	0.6
79.95734	3.0
80.22132	0.5
80.96510	5.2
102.40157	0.6
211.20659	0.8
257.21307	1.4
317.21603	1.4
333.21097	9.2
350.23755	13.9
378.23093	3.1
417.78564	0.7
590.44641	100.0
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	Unknow
Peak:m/z	Relative Intensity
54.08868	0.2
56.58410	0.2
57.65205	0.2
58.82654	0.2
59.82442	0.2
60.67249	0.2
63.14504	0.2
152.08197	0.2
258.45856	0.2
268.03793	40.0
283.06143	100.0
352.15781	0.2
462.50153	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	591.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93605	1.1
62.28574	1.0
95.50336	1.2
99.01743	1.0
136.01663	19.6
137.02444	1.8
145.20432	1.2
151.04002	60.6
152.01149	1.6
164.08188	1.3
166.02681	18.4
167.03395	1.7
181.05072	41.8
193.12411	1.2
208.30109	1.3
252.13808	1.2
334.45505	1.2
347.31342	1.2
357.09906	15.0
369.13461	2.3
372.12231	12.9
387.14539	100.0
432.93689	1.3
548.21344	1.3
591.21313	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	591.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65303	1.1
59.01101	2.6
59.01378	46.6
66.19749	1.3
71.01380	27.6
72.99285	1.8
73.02933	3.1
75.87782	1.5
81.07112	1.7
83.05035	1.9
85.02948	3.6
89.02433	33.4
99.04502	10.1
101.02438	21.6
113.02438	16.8
117.48785	1.6
119.03469	8.9
129.60876	1.3
131.04575	2.0
161.04573	2.6
161.13339	22.0
161.99911	1.8
169.70242	1.5
175.11079	1.8
179.05644	3.6
183.13852	1.5
185.09769	1.6
185.13338	10.0
187.11284	35.2
205.12350	28.0
229.12398	12.6
247.13489	3.0
247.60706	1.4
249.11327	14.6
291.12418	2.7
351.14410	2.6
370.09158	1.5
411.16525	15.7
429.17755	34.6
471.18854	2.0
501.19751	9.2
517.76971	1.7
531.20752	32.7
591.23053	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	591.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05828	1.7
56.59137	1.5
57.03449	69.4
59.01382	94.1
59.01681	3.4
71.01366	4.7
72.99306	2.4
81.03463	2.1
83.01357	2.2
85.02946	4.4
89.02424	2.8
96.96018	3.2
99.04511	100.0
99.92606	4.2
100.93372	2.7
101.02436	16.6
111.00732	2.0
113.02434	7.4
116.92851	88.6
125.02424	45.6
143.03514	4.3
173.60477	2.1
176.49890	2.7
183.13663	2.3
211.89629	2.2
215.20647	1.8
223.69936	2.4
226.96405	2.4
228.55684	2.0
249.24174	2.3
260.99194	2.5
403.19760	8.3
445.20712	13.1
459.22437	3.4
503.24963	3.2
531.28369	13.6
544.35010	2.1
547.24261	17.7
591.09888	33.0
591.26312	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	591.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89642	0.6
56.07462	0.5
57.03447	1.3
59.01381	8.3
60.38956	0.4
69.33948	0.6
69.41254	0.5
70.02965	2.5
71.01379	6.8
73.02937	0.9
75.00871	6.1
85.02952	5.4
87.00866	2.1
88.04034	0.9
89.02446	4.2
95.01376	0.9
95.02485	0.9
96.00911	10.7
96.96019	1.0
99.00858	3.5
99.04513	0.7
101.02408	2.9
103.00395	0.8
113.02440	10.9
113.03566	9.6
114.01963	6.1
117.01923	0.7
127.85671	0.6
131.04616	36.5
131.05605	1.4
132.03014	1.3
161.13400	0.6
163.44943	0.6
165.12839	25.4
169.97736	0.6
179.05638	1.2
183.13905	32.1
201.81403	0.6
205.07104	0.7
205.12344	0.7
209.11836	2.2
217.44495	0.6
226.14474	11.5
227.12848	2.2
236.16589	0.7
249.06123	3.8
267.07092	1.2
357.13489	0.6
415.20132	2.5
429.17725	2.5
467.21692	0.7
476.21735	1.4
481.07239	0.7
573.23328	2.8
574.21661	1.2
591.24084	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73240	1.4
51.05299	1.5
53.06169	1.6
57.03444	4.5
59.01380	25.6
71.01378	7.8
73.02927	3.4
74.02470	47.7
80.96514	11.4
85.02953	2.4
86.92365	1.9
94.98093	3.5
99.04514	7.5
101.02438	15.2
111.89408	2.2
112.63383	2.1
113.02421	3.9
116.05054	9.5
123.93759	2.1
125.02447	3.7
128.05106	2.3
142.06613	2.1
144.04526	3.5
146.05916	1.9
148.99167	3.0
152.98662	2.7
153.10310	10.1
154.65025	2.0
156.91667	1.9
159.09233	2.6
164.98640	4.6
167.11891	7.3
172.03989	2.3
185.35013	1.8
203.08279	54.9
225.00804	13.2
229.11940	17.1
283.02356	2.5
285.03119	2.4
298.04901	2.6
299.05420	2.2
311.23016	1.9
358.17813	46.4
478.59174	2.2
480.74838	2.1
487.32675	18.2
505.33618	3.0
531.22400	2.1
547.14124	2.5
547.34973	3.6
591.24768	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20662	0.8
55.13206	0.8
56.51468	0.8
57.03447	1.3
59.01382	100.0
59.22673	1.0
71.01374	51.3
72.99298	1.9
73.02945	13.2
73.89774	0.9
82.47502	1.0
83.01387	4.2
85.02950	15.9
87.00863	2.0
89.02439	51.4
95.01367	8.1
96.95997	1.6
99.00881	1.1
101.02442	31.6
113.02438	39.7
119.03486	15.4
130.51193	1.0
137.09734	1.2
157.45438	1.0
161.04558	7.5
179.05710	3.8
369.19113	1.5
387.20151	1.5
531.24561	92.4
537.48975	1.2
549.25610	46.8
591.17944	2.5
591.26752	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	591.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00596	0.8
59.01383	100.0
60.20932	0.8
66.28387	0.8
70.52604	1.1
71.01378	55.5
73.02930	9.7
74.76358	0.8
75.28445	0.8
83.01390	4.0
85.02950	16.9
87.00868	2.0
89.02440	49.7
95.01367	8.0
97.02932	1.1
99.00866	1.8
101.02442	38.3
113.02446	38.5
119.03510	17.2
125.02410	1.0
137.09752	1.6
143.03561	2.0
143.42657	0.9
161.04572	6.4
179.05650	3.9
189.12857	1.3
223.64122	0.9
233.49205	1.0
306.28937	1.2
369.19403	1.3
387.20309	1.4
531.24573	86.1
549.25647	50.6
591.26880	54.6
616.46436	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	53.1
59.01383	96.8
59.61322	2.1
71.01379	47.2
73.02937	16.2
83.10196	2.1
85.02932	5.0
87.00893	3.8
88.24130	2.0
89.01884	3.0
89.02440	90.5
97.02936	2.5
99.00887	22.8
99.04512	35.2
101.02445	53.8
101.48554	2.2
113.02461	19.8
119.03484	12.9
122.27764	2.0
125.02424	28.9
131.03474	10.0
143.03477	3.0
149.04564	17.5
161.04539	4.8
191.05592	14.8
429.21384	13.2
447.22211	85.3
487.32822	11.0
489.23276	18.4
547.35101	4.0
591.26477	100.0
591.34949	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	591.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03194	1.4
57.03453	20.0
59.01384	17.0
65.09432	0.7
71.01386	9.3
73.02936	1.2
80.96518	6.5
83.01383	1.3
85.02949	5.4
88.72813	1.0
89.02462	3.2
91.74954	0.7
97.00411	0.7
99.04508	13.2
100.46870	0.8
101.02431	11.4
113.02454	5.7
125.02420	10.9
147.80302	0.8
148.99251	1.4
152.98596	1.5
161.04633	0.9
164.98701	1.5
181.82649	0.8
206.99805	0.8
225.00790	6.3
226.11838	0.9
234.61444	0.8
242.83128	0.9
285.20724	27.6
396.21796	0.8
429.24850	16.6
447.26059	100.0
477.90198	1.1
487.32654	1.7
489.26950	18.8
529.29907	1.3
531.27637	1.1
547.34827	1.3
591.24493	9.6
591.33160	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	591.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	97.0
59.01380	93.8
59.81124	1.4
67.00932	1.6
72.60647	1.3
81.03447	1.6
85.58961	1.4
99.04510	100.0
99.05166	3.2
101.02438	21.5
125.02425	39.0
141.42183	1.4
143.03506	1.8
154.31575	1.6
157.10439	1.6
178.15501	1.8
238.72816	1.5
311.53094	1.6
547.31232	12.0
591.37781	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	591.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68208	1.3
57.03452	100.0
59.01383	77.7
61.98837	1.6
69.93916	1.2
73.02932	1.2
99.04510	97.0
99.05165	3.4
101.02429	22.8
102.22604	1.4
125.02423	37.8
140.50781	1.5
143.03537	2.0
273.17694	1.4
403.26987	2.7
528.28851	3.3
547.31067	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	591.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92852	0.9
57.03454	18.1
58.67218	1.2
59.01384	100.0
61.60139	1.0
62.70304	1.1
71.01378	11.9
73.02946	5.6
74.34600	1.1
75.00839	1.7
83.01385	2.9
85.02947	6.1
89.02432	4.6
92.23146	2.4
93.44510	1.2
95.01386	1.6
99.00867	2.3
99.04515	22.8
101.02438	17.3
113.02452	9.0
125.02423	12.6
131.03447	1.3
143.03487	2.0
161.04550	1.7
218.71846	1.3
229.18109	4.9
232.40652	1.4
255.53661	1.2
298.04810	6.2
299.05508	4.5
302.76303	1.5
314.17395	1.8
403.19714	1.5
447.26099	7.2
487.32892	52.3
489.27179	2.6
505.34009	8.2
547.35089	24.7
591.30414	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	591.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68102	3.2
53.35876	3.5
57.03442	15.0
58.38745	2.6
59.01381	100.0
65.49633	2.9
70.21605	3.1
71.01387	30.5
72.65628	2.9
73.02961	13.0
85.02958	7.9
87.82719	3.1
89.02420	25.9
92.22563	4.1
99.04525	17.0
101.02454	23.8
113.02435	19.5
119.03513	4.5
125.02460	8.0
134.03760	17.3
145.22723	3.5
157.70468	3.5
168.79387	3.8
193.05099	15.4
246.55321	2.9
280.45984	4.3
298.04620	4.0
487.32770	35.0
505.33826	13.4
513.29272	4.8
547.34937	27.7
591.24915	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	591.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51445	0.8
59.01381	100.0
59.58870	0.7
64.80772	0.7
92.23107	1.2
92.69864	0.8
119.12751	0.9
140.04298	0.7
202.56010	0.8
300.37946	0.8
591.39044	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	591.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72576	0.5
55.76842	0.5
57.03437	1.0
59.01384	100.0
67.84830	0.7
99.04491	0.9
169.34004	0.7
286.63724	0.7
289.44431	0.8
294.21341	0.8
541.61157	0.9
591.39496	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	591.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43032	1.5
55.15836	1.8
57.01408	1.7
59.01382	100.0
71.01385	1.9
71.60901	1.9
85.06581	2.0
87.52444	1.7
88.22533	1.9
92.59465	1.8
121.34532	1.8
127.88303	1.9
131.09331	1.8
138.35321	2.2
171.10245	10.1
190.69200	1.9
197.04660	2.0
242.01489	2.0
242.82489	2.1
253.09274	4.4
277.21674	12.9
295.22833	25.4
301.32938	2.1
531.37976	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	591.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	13.9
59.01382	100.0
67.07563	0.8
69.12753	0.9
70.44020	0.9
85.02998	0.9
93.90503	1.1
99.04514	19.7
101.02422	2.4
116.92816	1.4
125.02429	6.8
135.67207	1.0
149.40981	1.2
204.36887	1.1
218.80707	1.2
241.58234	1.0
332.67200	1.1
362.86652	1.3
403.26758	1.1
508.77509	1.1
531.36993	13.8
591.38220	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	591.4638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35066	0.6
54.76660	0.6
59.93151	0.6
62.26371	0.6
68.56223	0.7
75.49839	0.7
87.97495	0.7
95.23772	0.7
141.69975	0.7
170.45528	0.8
171.10260	26.1
184.99706	0.8
250.40428	0.8
261.11838	0.9
277.21753	39.1
295.22797	100.0
545.74670	0.8
588.04950	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.35
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90664	0.4
59.01380	12.5
60.01711	1.0
61.01808	0.8
61.06580	0.4
61.07296	0.4
61.43943	0.4
61.95940	0.5
61.98831	100.0
63.21000	0.5
68.21286	0.4
68.68542	0.4
84.25529	0.4
85.72553	0.4
99.04498	1.1
105.22762	0.4
116.92887	0.7
130.65622	0.4
173.93283	0.5
295.10266	0.5
372.55646	0.6
486.12814	0.5
542.34607	0.5
592.39209	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1309
Annotation	Tribuloside
Peak:m/z	Relative Intensity
72.93054	0.4
110.00311	0.4
116.46290	0.4
121.02949	100.0
126.99207	0.4
132.53154	0.4
138.81709	0.4
165.01927	3.0
175.57635	0.4
181.06624	1.9
197.06062	1.6
207.04506	0.6
209.04568	25.5
209.06577	0.9
225.05531	2.6
251.07249	0.5
257.09659	0.7
301.08493	0.4
301.84991	0.4
313.07150	2.3
373.11072	0.4
383.07553	0.6
417.09848	2.0
505.11890	0.6
509.00967	0.5
545.25702	0.5
549.10406	4.7
593.13092	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	593.1519
Annotation	Isoorientin 2''-O-rhamnoside
Peak:m/z	Relative Intensity
72.67271	0.5
78.13919	0.5
78.56203	0.4
89.89366	0.5
92.41908	0.6
97.64499	0.5
101.66552	0.5
138.34383	0.5
165.01901	1.3
166.31250	0.6
168.88509	0.6
193.75958	0.6
219.80566	0.6
227.38138	0.5
255.02917	6.6
256.03842	1.2
271.06152	3.1
283.02502	84.2
284.03366	7.7
298.04852	100.0
299.05634	17.8
487.98428	0.6
593.15204	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	593.1525
Annotation	Keracyanin
Peak:m/z	Relative Intensity
57.20219	0.8
59.01400	1.9
67.51475	0.9
77.51970	1.1
135.46675	1.1
147.04497	6.0
151.00366	1.2
165.05527	2.5
207.06633	1.9
227.03581	9.8
255.03014	30.4
256.03839	1.8
269.04489	4.7
272.87701	1.0
284.03284	100.0
285.04037	7.6
327.08801	1.3
393.47366	1.2
393.68112	1.0
508.19467	1.4
593.15173	68.8
593.28906	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	593.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50848	0.7
56.45916	0.7
57.03435	4.3
57.62617	0.8
59.01383	11.7
60.33296	0.8
66.41650	1.0
71.01369	6.0
75.00863	1.0
78.32825	0.8
83.01422	0.8
83.10409	0.8
85.02934	1.6
89.02419	2.0
99.00877	1.3
99.04532	3.4
101.02422	4.4
108.02163	18.1
109.02940	11.0
113.02437	6.1
121.10758	0.9
125.02397	3.9
134.03731	15.0
135.04530	5.6
149.06107	1.7
152.01151	100.0
153.01938	2.2
161.02446	4.3
163.03986	4.4
165.12825	1.2
173.71266	1.1
174.02206	1.0
175.04001	2.0
179.03510	5.1
193.05072	11.6
193.93889	0.8
207.13916	1.2
210.94618	1.1
241.07202	2.1
241.63440	1.0
251.12900	1.9
399.09323	6.0
417.10242	17.6
593.15192	76.0
593.25092	11.1
595.79260	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.6
69.25269	0.3
71.01382	1.3
72.99316	0.7
73.02940	0.5
74.16156	0.4
85.02945	0.5
89.02427	0.5
93.03417	0.4
101.02463	0.5
105.68439	0.4
108.02168	15.9
109.02942	10.4
113.02464	0.8
117.03444	0.5
121.02905	0.4
134.03746	14.6
135.04552	4.4
143.04800	0.3
149.06110	3.0
151.04024	1.4
152.01151	100.0
153.01936	4.5
160.01659	2.0
161.02448	3.7
163.03978	3.6
175.03983	3.5
176.70558	0.3
179.03508	6.1
180.04269	0.5
184.66071	0.3
190.06395	2.5
191.07069	0.5
193.05061	12.3
194.05817	0.4
205.08736	3.3
207.06575	0.5
208.07401	5.5
222.08946	1.4
223.05969	0.4
227.44075	0.4
241.07237	3.8
242.17531	0.4
267.05118	0.4
285.06119	0.8
297.06155	0.4
344.12604	0.6
359.15033	13.3
389.15942	3.1
399.09406	7.1
417.10468	22.1
420.53638	0.4
530.52454	0.3
593.15186	89.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.152
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68796	0.3
55.58411	0.3
59.01384	0.5
63.14016	0.3
147.04501	1.4
151.00366	1.9
154.18817	0.3
163.00421	0.4
165.05612	1.6
178.99852	0.5
227.03497	6.8
229.05110	1.7
255.03006	22.0
256.03812	3.0
257.04648	2.7
257.06943	0.4
279.11221	0.4
284.03290	100.0
285.04074	28.8
445.15216	0.4
593.15186	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	593.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06907	0.5
61.93109	0.5
66.73306	0.5
68.04237	0.5
71.01392	2.4
80.57899	0.6
90.79967	0.5
93.03452	19.7
101.02469	0.8
111.07082	0.5
113.02465	0.9
128.03528	1.0
137.02448	100.0
159.77283	0.6
168.34851	0.6
239.05545	0.6
293.12262	1.2
299.07773	33.6
300.87573	0.6
324.94785	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74608	0.6
57.03433	1.0
59.01372	3.7
62.73706	0.8
71.01367	3.2
85.02925	1.3
89.02428	0.9
95.01333	0.7
99.04494	3.0
108.02177	14.4
109.02959	9.5
113.02391	1.0
121.02900	0.7
123.04528	1.3
134.03745	12.7
135.04514	4.8
136.05226	1.3
137.61731	0.7
149.06090	2.7
149.53156	0.7
151.03940	1.3
152.01155	86.0
153.01891	4.5
157.07635	0.8
160.01555	1.1
161.02400	3.0
163.03998	3.8
175.03995	5.0
177.01999	0.9
177.05676	0.7
178.02609	1.0
179.03526	6.7
180.04308	9.5
188.04860	0.9
189.05521	5.8
190.06371	23.8
191.07091	5.9
193.05060	20.6
194.05884	8.2
194.18744	0.8
203.07130	1.5
204.07954	1.0
205.05083	1.2
205.08716	34.8
207.06651	6.8
208.07426	46.5
222.09010	13.4
223.09671	3.0
241.07124	1.7
285.03705	1.0
344.12689	6.2
359.15045	100.0
362.18335	0.9
389.11423	1.1
389.16110	20.7
399.09082	5.5
417.10434	19.6
431.18961	1.0
497.90704	0.8
593.14996	64.8
593.23059	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	593.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14472	0.5
51.78233	0.5
59.05700	0.5
59.59607	0.5
61.83633	0.5
62.67470	0.6
72.04945	0.6
78.61636	0.6
96.95986	0.9
101.93626	0.7
108.52995	0.6
108.97410	0.6
115.08760	20.2
123.04510	7.6
125.02409	2.7
147.04532	5.9
149.04570	0.9
149.05975	0.7
164.07162	3.0
165.05539	0.9
167.03493	100.0
178.27573	0.7
209.04651	0.7
219.15063	2.7
263.14023	41.0
267.10379	0.8
269.28836	0.7
284.03259	1.5
329.08810	26.3
409.99973	0.7
431.56668	0.6
432.98322	0.8
593.24463	0.8
602.74170	0.8
617.04114	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2639
Annotation	Aromoline
Peak:m/z	Relative Intensity
54.90119	0.7
57.03443	12.0
59.01384	10.0
61.82117	0.7
64.17961	0.7
71.01372	5.6
73.02940	1.4
78.98586	4.2
79.95737	3.3
80.96512	37.9
81.03452	0.9
85.02929	1.7
94.98087	9.3
99.04518	13.0
101.02452	7.5
106.98080	1.0
113.02446	1.5
113.49866	0.8
115.82530	1.0
119.13013	0.7
122.97527	1.4
125.02428	11.5
134.97540	2.1
148.99138	5.4
152.98640	10.0
160.92601	0.9
160.94615	0.8
161.04524	1.0
164.98627	13.8
168.26045	1.0
182.99678	1.9
206.99605	1.9
225.00766	26.4
243.01764	1.9
299.04492	5.1
318.96033	1.0
449.31332	1.9
544.74432	1.0
593.26483	100.0
593.35242	6.9
619.95483	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2643
Annotation	Aromoline
Peak:m/z	Relative Intensity
57.41036	0.6
59.01376	1.6
59.63383	0.8
71.01379	1.7
78.98569	3.3
79.95738	14.2
80.96513	36.8
85.02950	3.1
87.00845	1.8
94.98077	11.4
97.02975	1.1
101.02406	1.9
106.98077	1.6
121.81724	0.7
122.97562	3.2
125.02425	4.9
127.03960	1.3
134.97591	2.0
136.99074	1.2
148.99124	5.8
152.98633	8.7
164.98598	14.8
182.99748	1.0
206.99739	4.2
216.59604	0.8
225.00768	28.1
255.33984	0.9
299.04449	3.9
371.06537	1.5
385.07849	1.0
399.09561	1.3
449.27567	1.4
455.15771	1.3
468.80917	0.9
511.40793	0.9
593.26404	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88824	2.4
55.84787	2.5
57.03447	18.7
59.01380	19.9
61.98827	19.4
68.71970	3.0
79.95724	5.2
80.96508	42.2
94.98082	16.5
99.04515	7.5
101.02496	3.5
116.82771	2.9
125.02473	5.3
131.91801	3.2
148.99113	3.6
152.98666	5.7
164.98602	13.1
184.58443	3.2
225.00662	25.8
272.06189	3.6
473.46402	3.6
584.59253	3.5
593.26642	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	593.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	1.4
59.01390	10.6
59.63005	1.0
59.73625	0.9
71.01373	4.6
71.90852	1.2
78.98586	1.8
79.95728	1.9
80.96519	39.5
87.00847	1.3
94.98081	9.6
101.02454	2.6
101.04446	1.0
106.98112	1.2
122.97527	2.3
125.02413	5.9
129.11206	1.3
134.97656	4.3
148.99146	5.9
152.98656	8.3
164.98621	16.1
182.99788	2.1
190.94301	1.3
206.99725	2.4
225.00786	25.3
243.01886	1.5
299.04407	2.6
384.66013	1.1
402.46674	1.2
516.68158	1.6
593.26471	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69761	1.2
57.03432	6.2
57.40958	1.1
59.01387	25.8
61.01812	1.8
61.98820	5.6
71.01377	1.4
72.64241	1.2
78.95901	27.4
94.41000	1.3
96.96967	3.1
99.04530	10.9
101.02409	1.8
110.95435	1.3
125.02407	5.2
152.99576	74.0
171.00616	2.3
220.47107	1.4
223.00037	10.1
241.01158	24.2
253.40236	1.4
277.21732	61.7
312.32446	1.4
315.04791	6.2
337.29907	1.4
369.97617	1.4
593.27283	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24160	2.5
54.97454	2.9
58.65520	2.6
60.18258	2.5
63.81740	2.5
68.00298	2.5
68.94209	2.6
68.97080	2.6
73.69257	2.7
74.81387	2.4
78.95882	26.8
81.77805	2.8
96.96960	5.6
105.73579	3.0
144.93382	3.1
152.99583	64.4
163.74062	2.8
241.01176	38.0
265.33267	3.8
277.21713	59.6
474.55173	4.1
572.91150	3.2
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	593.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03505	16.1
58.50273	0.4
59.01442	8.0
61.78050	0.4
71.01447	5.7
73.02979	1.0
85.03027	2.2
89.02499	0.7
99.04513	9.3
101.02431	7.3
113.02433	4.2
119.03556	0.6
124.01756	0.5
125.02446	7.1
126.05235	0.6
131.14859	0.5
143.03587	0.6
151.58192	0.5
212.61127	0.5
244.55716	0.6
287.22296	24.9
301.24124	0.7
329.23453	1.2
431.26468	18.6
447.26175	0.6
449.27606	100.0
491.22165	0.9
491.28699	16.7
529.65472	0.6
531.31378	1.2
549.29242	1.1
593.31744	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	593.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	18.0
59.01382	16.1
66.17023	0.9
71.01391	8.9
72.12843	1.0
73.02946	1.6
82.15273	1.2
83.01423	1.5
85.02942	5.5
95.01373	1.3
99.04510	8.0
101.02445	9.6
106.67432	1.2
113.02444	2.4
125.02441	4.7
143.03410	1.8
167.94177	1.3
171.50439	1.2
176.13756	1.5
229.81339	1.1
287.22318	23.3
394.48953	1.4
431.26584	19.9
449.27634	100.0
489.34476	5.0
491.28610	14.0
540.92249	1.4
593.31866	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	593.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56806	1.6
57.02124	2.0
57.03443	14.1
59.01102	4.0
59.01383	100.0
63.67227	2.0
64.22652	2.1
71.01369	13.8
73.02935	8.2
83.01371	5.4
84.12601	2.4
85.02942	9.9
99.04512	10.5
101.02441	19.5
108.90961	2.2
113.02435	12.0
125.02463	4.9
203.08461	2.3
212.77342	2.3
213.18626	4.2
299.25916	3.8
318.91116	2.5
345.30069	9.6
489.34354	85.8
507.35410	28.0
532.72345	2.3
549.36536	59.2
551.00568	2.5
593.26508	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	593.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22999	0.9
63.27531	1.0
85.06542	1.1
88.31331	1.2
104.01711	1.5
155.15530	1.1
165.12782	9.8
171.10263	2.6
172.10574	2.7
183.13905	100.0
195.13884	8.5
221.15468	5.8
223.13406	3.9
227.12839	4.4
239.16653	1.8
247.20724	1.4
252.18504	1.3
277.21667	4.7
278.22049	5.7
279.22440	2.4
291.19724	9.5
295.22839	8.3
296.23178	11.2
297.23553	6.9
309.20801	11.6
443.18744	1.2
593.37012	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	594.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94172	1.3
55.66854	1.1
56.82245	1.0
58.50767	1.2
59.01381	84.1
59.14874	0.9
60.01721	12.8
61.01808	10.8
61.98831	100.0
74.83895	1.2
92.22466	1.2
153.15660	1.2
157.61424	1.3
222.92860	1.2
281.76535	1.2
476.98422	1.5
551.80591	1.3
578.26495	1.4
594.39966	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	594.402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30586	66.0
58.16179	71.5
108.23711	95.3
110.29636	83.8
158.00090	81.3
162.23746	97.4
221.72882	88.3
224.48972	76.2
241.63457	93.6
252.21811	80.1
256.11731	91.4
383.77316	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79313	0.2
56.83103	0.2
71.01408	0.2
93.20670	0.2
93.62076	0.2
121.02947	1.1
121.85154	0.2
135.81577	0.2
141.91087	0.2
151.00330	2.5
177.02260	0.2
178.99890	2.3
183.53371	0.2
207.03140	0.3
243.02959	1.4
244.04031	0.3
254.02155	1.6
255.03027	9.2
271.02518	16.9
272.03265	1.1
286.09921	0.2
299.01956	0.8
300.02783	100.0
301.03574	6.6
324.78827	0.2
364.59042	0.2
518.48645	0.3
593.94055	0.2
595.13123	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	595.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11584	0.4
54.24853	0.4
54.57261	0.4
59.01387	1.1
63.97577	0.4
65.51257	0.4
71.01394	0.5
71.22029	0.4
93.03470	0.8
112.39780	0.4
126.17673	0.5
137.02457	5.0
151.00388	2.9
165.05482	0.6
178.99843	2.7
195.06721	0.6
227.03430	0.5
243.02939	0.9
254.02145	0.8
255.02995	9.0
271.02509	17.2
272.03305	0.7
299.02063	0.7
300.02765	100.0
301.03549	5.2
301.56491	0.5
318.98880	0.5
476.44354	0.7
595.13062	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	595.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	75.8
59.01110	3.0
59.01383	74.9
61.96656	1.5
71.01369	10.9
73.02923	3.7
84.87551	1.6
85.02910	3.8
89.02445	2.7
91.05601	1.8
95.00659	1.7
95.17249	1.5
99.03906	3.4
99.04509	70.4
101.02431	27.4
113.02383	8.1
125.02444	23.4
126.38520	1.9
128.50351	1.5
159.03036	1.9
161.04517	3.7
183.13878	3.1
196.21729	1.8
210.10439	1.8
307.17496	9.4
349.18549	3.4
447.25818	2.5
451.21985	60.1
451.28961	11.5
493.22812	9.6
535.26825	2.3
595.25897	100.0
624.03223	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	595.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	80.9
59.01380	70.4
71.01382	8.1
73.02924	2.9
80.72182	1.5
83.01373	2.6
85.02933	2.9
89.02426	2.8
93.03428	2.2
96.95981	1.8
99.00916	1.8
99.03892	2.9
99.04514	60.3
101.02442	24.4
113.02460	3.5
122.91223	1.7
125.02439	17.4
137.02451	13.9
150.03206	7.5
165.05577	12.0
189.78711	1.8
190.02766	2.6
205.05078	9.2
259.20074	1.7
280.50494	1.9
307.17657	9.1
349.18808	3.0
389.22076	2.8
399.12976	11.9
451.21890	59.3
466.24902	2.8
493.23007	15.9
551.31293	2.8
595.26239	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	595.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59191	1.3
58.86847	1.4
59.01387	3.6
70.12635	1.5
71.01392	1.8
73.02921	1.9
101.02421	2.8
109.33779	1.5
145.79935	1.7
164.04807	14.0
175.00356	2.9
190.02725	50.4
205.05063	87.7
223.06082	14.7
236.26373	1.9
241.50694	2.3
344.14410	1.8
370.89539	1.7
565.22681	7.0
595.27710	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96214	0.7
70.17688	0.9
71.01371	1.8
77.34270	1.0
78.98579	3.5
79.95736	3.8
80.96516	32.2
81.03490	0.8
85.02928	1.4
94.98068	11.2
97.02969	1.2
101.02412	1.8
106.98071	1.3
122.97550	3.8
125.02427	3.9
127.04034	1.2
134.97604	3.9
136.99136	3.5
148.99182	6.4
152.98608	8.6
164.98611	10.7
182.99734	1.4
191.85155	1.0
195.13896	1.2
200.80037	0.8
206.99730	4.2
225.00740	29.9
243.01836	4.4
276.16357	0.9
295.22824	1.0
299.04465	4.6
312.73270	0.9
330.89410	0.8
370.86847	1.2
383.90945	1.1
489.88480	1.2
595.28027	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	595.2898
Annotation	Salannin
Peak:m/z	Relative Intensity
50.62699	1.3
53.37750	1.4
60.50863	1.5
65.55323	1.6
70.23371	2.0
70.94234	1.8
78.61420	1.8
78.95905	28.8
83.13788	1.4
89.89365	1.6
96.96929	3.4
101.05520	1.6
119.68845	1.9
122.88338	1.7
152.99585	75.6
154.86728	1.7
208.11757	1.8
223.00191	7.7
241.01163	24.8
279.23318	87.9
315.04861	8.4
342.09930	1.7
452.54343	1.8
595.29028	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2898
Annotation	Salannin
Peak:m/z	Relative Intensity
53.21631	0.8
56.01291	0.8
59.01387	1.6
61.98818	1.0
67.85977	0.9
70.79572	0.9
73.34545	0.9
76.42394	1.0
78.95900	22.8
96.96947	5.2
99.04463	1.1
101.23357	0.8
115.60253	0.9
116.92834	3.6
127.14938	1.0
152.99586	48.0
179.61597	1.0
179.82031	1.1
218.71651	1.0
240.98895	1.8
241.01195	33.4
279.23300	93.0
286.12708	1.1
315.04855	5.2
324.94067	1.3
449.61649	1.2
595.28967	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	595.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.0
56.58123	1.0
57.03456	18.2
59.01113	1.1
59.01379	23.0
63.81202	1.4
71.01379	13.1
73.02934	5.6
75.00838	2.2
76.44646	1.4
83.01361	3.0
85.02927	10.6
89.02396	7.8
99.00855	2.1
99.04490	14.0
101.02441	18.2
108.11861	1.3
111.00874	2.0
111.08131	2.2
111.92351	1.2
113.02393	8.1
125.02383	8.8
143.03465	2.1
152.08350	2.8
153.09189	9.4
160.39014	1.3
160.90921	1.2
161.04550	2.7
163.26164	1.8
165.12837	31.5
181.12294	1.5
183.13910	48.7
191.10806	2.2
197.15364	8.7
205.12428	10.5
209.11708	5.7
227.12885	5.2
283.27002	1.3
451.10834	9.4
544.48480	1.7
595.13892	4.9
595.31006	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33580	0.6
57.03460	4.9
57.45240	0.5
59.01386	15.7
71.01381	14.4
73.02953	5.5
75.00869	0.7
77.76987	0.6
83.01393	3.2
85.02959	6.1
89.02405	5.0
92.23100	1.1
95.01425	0.8
99.00866	1.0
99.04534	3.5
101.02441	12.3
111.00837	1.2
111.08132	3.7
113.02448	7.6
119.03466	0.8
125.02473	2.9
129.01945	0.8
133.56445	0.7
136.05281	0.9
151.07652	3.0
152.08394	5.2
153.09221	14.8
163.11366	1.4
165.12846	26.5
183.13911	62.9
191.10783	1.0
197.15508	13.9
205.12360	11.7
209.11838	4.6
225.14937	1.2
227.12883	6.3
241.92816	0.7
251.12723	0.8
436.94595	0.7
451.25739	1.1
595.30518	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	595.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58018	10.5
60.05906	13.0
64.91586	10.7
68.85479	10.7
98.32938	11.7
113.31778	15.1
114.58530	12.6
135.68266	12.5
137.48482	13.7
150.81717	13.1
209.11873	23.2
237.11571	12.4
244.96043	12.9
293.21277	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.4949
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.9
78.55373	0.9
108.98630	1.0
147.15631	0.9
151.00166	1.1
154.78395	0.9
155.10780	13.6
160.32204	0.8
279.23285	14.6
292.06442	1.1
297.24368	100.0
328.97852	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42690	0.4
59.01388	0.5
60.16983	0.4
71.01383	0.5
73.71558	0.4
77.04342	0.4
83.18943	0.5
93.03451	21.6
96.96020	0.8
99.00871	0.6
105.66950	0.5
137.02441	100.0
147.04626	0.6
148.95015	0.5
162.98657	0.5
212.50533	0.4
299.07788	1.0
310.98257	0.5
391.10846	0.5
431.11993	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	596.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01802	0.6
68.16538	0.8
70.02953	1.0
71.01387	1.1
71.05017	1.0
73.97061	5.3
77.36359	0.8
82.02975	1.6
85.04066	1.5
87.05630	1.4
88.04016	3.9
95.28674	0.8
107.06128	0.8
114.01910	1.1
114.97543	0.8
116.01797	0.9
117.01279	17.3
118.23575	0.9
119.02858	0.9
120.01231	5.6
121.13402	0.7
127.05159	0.7
128.01790	1.4
128.03535	36.4
130.03334	3.2
135.05606	1.7
146.08231	22.9
147.05965	1.1
150.06738	0.8
151.05119	1.8
153.06705	14.6
157.06189	14.7
159.07761	0.8
160.00795	5.9
168.07765	8.1
169.06183	9.1
179.04628	13.9
180.86823	0.7
183.48779	0.8
185.03940	1.3
189.03413	10.6
196.07368	1.2
197.05705	8.2
203.04973	1.2
217.11925	5.7
217.25911	0.7
228.04517	4.9
240.09869	1.7
246.05577	6.8
275.10806	3.1
277.12366	3.6
286.10440	4.2
298.13678	0.8
300.06525	0.9
306.19308	0.7
309.09653	0.9
318.07730	17.2
369.72656	1.0
484.67609	0.9
532.21100	0.7
578.19440	1.4
596.20752	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	596.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43056	1.5
57.41481	1.7
63.38463	1.6
70.24563	1.7
70.52231	1.6
88.92391	1.6
119.51087	1.8
121.08477	1.8
128.10780	2.3
130.08727	78.6
137.98570	1.9
159.46114	1.8
172.09792	100.0
216.08736	8.2
216.12453	16.0
232.33731	2.0
260.93927	1.8
273.12186	2.0
335.27142	2.2
414.57858	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	596.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.7
57.06323	0.5
61.98803	0.6
63.09756	0.4
63.40414	0.4
77.36155	0.4
84.02026	0.5
97.06564	2.9
123.08131	0.8
125.09714	49.0
139.11282	0.9
142.12372	0.7
153.12843	22.0
162.57619	0.6
168.70197	0.5
169.08694	1.1
170.15526	0.6
180.13882	0.7
186.11362	37.1
194.15469	3.0
196.13513	0.7
197.11842	29.0
200.12704	0.7
212.16608	0.8
214.14503	32.2
215.10901	0.6
215.12920	15.6
320.25986	2.4
348.29196	0.8
364.24884	3.2
381.27634	25.3
391.29486	0.7
392.28085	2.0
409.30774	15.8
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	597.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34748	0.5
55.01882	0.9
57.03455	4.3
57.03681	0.6
59.01383	11.9
62.29807	0.4
62.70055	0.6
63.42242	0.5
71.01381	9.3
72.99308	1.4
73.02940	1.2
75.00871	8.6
85.02953	11.7
87.00862	3.6
87.01387	0.5
89.02425	3.8
95.01377	3.6
99.00883	7.0
99.04501	3.6
101.02458	5.6
103.00362	1.2
109.05891	0.8
109.06560	7.7
111.56269	0.7
113.02457	16.8
113.18042	0.6
115.00364	1.1
117.01949	0.9
125.02448	1.0
127.07647	45.7
129.01880	2.2
134.03737	12.4
135.04532	0.7
147.03043	0.7
149.06055	3.3
153.05582	2.5
160.01678	4.0
161.02428	2.5
165.03992	0.6
171.06631	2.7
174.77275	0.7
175.02571	1.2
175.03989	14.4
193.03381	1.3
193.05067	21.3
205.07191	0.7
230.49506	0.6
249.06076	7.5
267.07135	10.2
275.48077	0.7
287.22235	7.9
303.21866	0.7
312.50137	0.7
359.13458	0.9
400.11859	0.8
421.13629	9.6
443.11682	0.9
449.27591	14.8
465.26944	0.8
535.18396	0.8
537.29303	1.4
597.18341	100.0
597.32233	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	597.196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03194	3.7
57.03452	76.3
59.01378	35.2
61.84676	2.2
62.95571	1.8
63.09822	2.0
71.01405	4.0
73.02943	3.0
74.42846	2.4
77.17767	2.1
78.35320	2.0
85.02971	3.6
89.02464	3.2
91.14028	2.4
99.04510	100.0
101.02427	18.8
113.79137	2.2
125.02445	52.7
143.03574	4.0
161.77003	2.2
176.77762	2.3
185.00883	2.5
240.39410	2.2
277.16263	2.3
446.91980	2.3
553.20874	10.0
597.32379	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	597.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15668	0.7
55.01858	3.8
57.03426	4.2
58.35238	0.7
59.01381	21.1
63.51731	0.6
70.12693	0.7
71.01382	14.4
72.99267	1.7
73.02919	1.8
75.00864	11.6
75.55619	0.8
78.90007	0.7
85.02937	13.8
85.51370	0.7
87.00840	5.7
89.02428	8.8
93.03416	0.8
95.01356	4.2
96.95958	0.9
97.02927	0.8
99.00879	10.4
101.02452	7.1
103.00359	1.0
113.02438	26.0
113.03682	0.8
113.06031	3.9
115.00304	1.8
117.01904	1.4
119.03431	1.7
129.01851	5.0
131.03496	1.3
131.07137	23.3
135.04454	0.9
137.09721	37.9
140.31934	0.9
147.02907	1.2
154.98601	0.9
155.10777	32.1
157.01427	1.3
165.03967	3.2
173.08173	9.8
175.02396	1.7
179.03419	1.9
181.08614	4.0
191.05594	0.9
193.63696	0.7
199.08209	0.8
199.09764	11.0
200.39125	0.7
249.06184	18.5
267.07278	19.2
335.07407	1.1
347.16907	1.7
348.00128	0.9
413.88464	0.8
449.16632	13.1
537.21179	1.8
555.23163	1.9
597.20123	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.2
59.01382	28.0
60.21130	0.5
71.01373	1.2
85.02927	0.7
85.06591	2.8
89.02454	0.6
99.04513	3.2
100.02212	0.6
101.02448	2.1
113.02467	0.7
113.06089	10.8
113.49825	0.5
131.07138	100.0
133.30196	0.5
152.29941	0.5
173.08186	45.5
209.11852	0.9
217.07112	0.8
235.11855	0.7
271.07047	0.6
321.15594	3.1
345.69492	0.6
355.74353	0.6
379.16174	3.6
597.24347	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	597.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08165	0.9
54.98359	1.0
55.01867	1.0
57.03447	1.3
59.01383	30.3
71.01366	4.6
75.00860	5.5
82.30774	1.2
85.02939	2.8
87.00841	1.9
89.02464	1.6
96.97449	1.0
98.89411	1.0
99.00885	1.7
99.04520	1.4
101.02446	2.5
113.02430	11.6
113.06097	12.0
131.07138	100.0
137.09723	13.7
142.77371	1.1
142.83054	1.1
155.10741	19.0
173.08191	44.5
181.06055	1.3
181.08798	1.7
195.51936	1.3
199.09758	4.6
215.09331	2.4
249.06166	6.1
260.79071	1.1
267.07251	7.8
333.88165	1.0
347.17239	1.3
349.87326	1.2
379.16019	5.8
391.87802	1.1
436.13602	1.3
448.19986	1.4
449.16583	5.7
597.19983	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	597.277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03205	2.0
57.03451	39.7
59.01380	49.9
69.03428	1.2
71.01015	1.5
71.01377	35.8
72.99302	3.0
73.02938	15.0
81.03428	1.4
83.01360	7.5
85.02927	21.2
87.00837	3.1
89.02419	12.0
89.50417	1.5
92.22415	1.8
94.08510	1.4
95.01399	4.6
99.00851	6.9
99.04513	36.0
101.02440	54.1
111.00864	2.1
113.02433	30.0
119.03465	2.4
125.02426	30.5
129.01949	2.1
143.03517	2.5
147.64545	1.5
159.02975	2.8
161.03384	1.6
161.04567	22.1
207.09616	1.4
243.19499	2.9
266.65155	1.4
283.02521	2.4
284.02832	2.1
291.18213	17.9
298.04572	1.7
332.85330	1.4
341.82092	1.5
369.97162	1.6
404.92120	1.4
405.25058	9.9
435.22321	19.1
453.23453	100.0
495.24548	24.9
553.28424	1.5
565.20123	2.0
597.27496	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	597.277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	30.3
59.01385	47.9
62.07946	0.6
66.09363	0.5
66.93535	0.7
71.01374	24.5
72.99316	0.8
73.02937	9.5
81.03447	1.5
83.01379	4.3
85.02946	11.1
87.00872	5.1
89.02440	18.9
95.01371	3.0
97.02923	3.2
99.00848	1.7
99.04515	39.6
101.01775	1.6
101.02440	48.9
109.02892	0.9
111.00879	12.4
112.65759	0.8
113.02438	20.8
119.03477	3.7
124.01591	1.4
125.02437	28.1
131.03497	1.5
141.01913	0.8
143.03494	7.0
145.05064	0.8
161.04547	18.4
185.16490	0.7
185.18329	0.8
205.94437	0.8
263.07663	0.9
291.18143	3.1
297.57849	0.7
313.62799	0.8
435.22464	12.5
453.23468	100.0
495.24545	18.4
535.27887	1.6
553.28802	1.6
597.27649	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	597.29
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00053	0.7
59.02511	0.7
61.58549	0.9
71.06915	0.8
71.57537	1.1
74.16244	0.8
75.00886	1.3
78.07691	0.9
78.95895	1.5
78.99359	0.9
81.46908	0.8
82.02994	6.8
96.96001	4.6
106.51688	0.9
108.66488	1.0
109.04041	1.2
110.02447	1.7
112.04052	1.1
125.45638	0.9
126.01961	6.5
127.05126	12.8
128.03543	9.8
130.08733	46.6
139.87053	0.9
149.38501	0.9
162.76062	1.1
165.10333	1.3
166.08743	11.6
167.08218	1.8
171.10281	1.0
175.04033	1.0
183.11378	4.5
184.07281	1.7
185.16603	1.4
194.09335	4.9
195.07814	1.3
195.15030	1.8
197.13014	5.3
209.09340	17.9
227.10374	1.4
229.15651	1.5
237.09950	9.6
238.08369	19.4
253.14252	1.2
255.11040	18.4
261.04666	0.9
296.19781	10.2
312.92178	0.9
313.98422	1.0
340.18851	17.0
423.20026	1.1
474.73880	1.0
597.29071	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	597.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	4.3
57.03448	3.5
58.27726	0.5
58.28983	0.5
59.01111	0.7
59.01384	13.6
70.55447	0.6
71.01381	10.6
72.99308	0.7
73.02945	3.7
75.00871	8.3
82.95389	0.7
83.01370	2.2
84.11621	0.6
85.02940	6.9
87.00877	0.8
89.02425	5.4
95.01353	0.7
97.55351	0.6
99.00855	2.5
99.04516	3.4
101.02442	11.6
111.00862	0.8
113.02429	6.1
119.03462	1.2
125.02414	2.9
127.07653	0.7
129.01892	6.1
131.19321	0.6
147.02988	5.1
158.45992	0.6
161.04524	0.8
165.04070	1.1
183.11852	0.7
193.05092	0.8
267.60666	0.6
269.21365	1.0
287.22327	42.2
301.20508	0.9
302.23605	0.7
431.26691	12.5
449.27652	85.9
453.08627	2.8
520.69928	0.7
537.29462	1.1
597.31384	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	4.7
59.01380	10.1
70.57687	0.7
71.01366	6.8
73.02928	1.1
85.02938	3.4
89.02436	4.4
99.04507	4.8
101.02433	9.0
111.08188	0.9
113.02416	4.5
114.22869	0.8
119.03496	1.6
119.08218	0.8
123.08155	5.8
125.02428	1.8
137.09723	1.7
163.11292	8.9
165.12840	17.3
183.13905	69.0
189.12878	16.4
197.15477	3.3
207.13889	9.2
209.11821	1.3
227.12875	1.2
227.27689	0.9
233.36923	0.8
275.71692	0.9
295.94403	1.0
479.47144	1.0
500.62698	0.9
560.87836	0.9
597.32867	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25861	0.5
53.07386	0.6
56.51507	0.6
57.03441	1.4
57.35886	0.5
59.01143	0.6
59.01385	11.2
64.83009	0.6
71.01381	4.6
73.02930	0.8
79.23515	0.6
82.99496	0.7
85.02928	0.6
89.02466	0.9
91.08648	0.5
93.04366	0.5
95.11770	0.5
99.04494	1.1
101.02435	3.7
111.08135	0.8
113.02452	1.1
114.36238	0.5
118.91968	0.5
124.36924	0.6
126.61037	0.6
151.54515	0.6
165.12833	17.8
183.13904	60.0
197.15486	41.9
207.13907	5.7
209.11765	4.8
225.14960	9.3
227.12895	29.7
241.14426	0.9
251.12875	1.4
269.13980	5.3
278.16742	0.6
295.25632	0.7
347.24530	0.7
422.74240	0.7
434.60117	0.7
453.10458	1.1
489.78723	0.6
495.12076	0.8
597.32916	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	597.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
76.99657	0.5
144.35959	0.5
146.51526	0.6
183.78401	0.4
277.21719	10.1
456.52057	0.7
597.40070	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52046	0.3
57.48602	0.3
58.68273	0.3
71.01391	0.8
73.02956	0.5
85.02956	0.6
93.03448	19.6
101.02446	0.7
113.02419	0.6
137.02444	100.0
165.39828	0.4
299.07742	31.3
411.16629	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45795	0.3
71.01371	1.7
73.02938	0.4
79.76638	0.3
84.79555	0.4
93.03442	19.5
101.02444	0.6
113.02473	0.5
137.02443	100.0
138.10812	0.4
139.70552	0.4
149.24185	0.4
178.01685	0.4
238.21677	0.4
299.07755	28.2
434.13885	0.7
496.47372	0.5
599.15039	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	89.7
59.01381	90.6
67.75692	2.3
96.05798	2.4
99.04507	100.0
100.46606	2.6
101.02439	16.1
111.53588	2.8
117.64226	2.8
119.92219	2.4
125.02442	51.5
134.03760	4.0
143.03500	2.8
148.24562	2.6
161.04678	2.9
171.27684	2.7
191.35834	2.8
193.05035	3.2
239.03181	3.0
283.00278	2.7
368.81595	3.2
411.14627	4.1
453.15451	3.1
493.18488	3.1
555.18311	5.2
599.27612	3.5
611.72040	2.7
626.91516	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	599.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	66.7
59.01378	67.4
63.53560	1.5
69.03444	2.7
71.01375	18.1
73.02947	49.4
81.03455	4.2
82.95408	24.1
82.95794	1.8
83.01393	11.1
85.02932	3.0
89.02448	2.3
96.96007	10.7
97.02924	2.4
97.06573	1.9
99.04514	100.0
101.02440	52.9
109.70455	1.9
113.02423	13.1
113.68350	1.7
119.03400	1.6
123.04491	4.3
125.02435	83.9
131.03452	3.0
143.03503	15.0
153.05603	2.2
155.03485	3.0
161.04538	13.5
186.86038	1.8
194.56825	1.6
203.05585	17.5
229.47131	2.0
236.59726	1.8
511.25299	8.3
539.36267	3.8
555.24420	13.5
585.08490	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	599.235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48704	0.6
57.03449	63.2
59.01381	80.0
71.01376	7.8
73.02938	10.5
81.03469	0.8
83.01402	1.8
85.02951	1.0
89.02445	1.9
99.04509	100.0
101.02431	24.6
113.02454	4.5
123.14339	0.8
125.02428	56.4
128.93835	0.7
129.67365	0.9
137.09691	0.9
143.03464	10.5
155.03477	1.0
161.04517	4.1
182.69702	0.9
203.05605	8.3
215.82030	0.9
253.16653	1.0
263.07733	1.9
411.20297	1.6
453.21350	4.6
493.24182	0.8
511.25565	4.4
539.30267	0.9
555.24603	13.2
599.23785	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	599.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	3.0
59.01382	8.3
67.17533	0.5
71.01382	2.1
73.02979	1.0
80.71283	0.5
85.02930	0.8
86.64454	0.5
88.92475	0.5
89.02453	0.8
91.53816	0.4
94.08162	0.5
96.86882	0.5
99.04527	3.4
101.02426	2.9
102.29065	0.5
107.35294	0.5
113.02462	2.3
117.03463	4.8
125.02428	2.0
129.62941	0.5
132.02205	0.8
134.03740	91.4
149.06081	13.5
149.98894	0.5
160.01663	9.8
161.04558	0.9
173.62001	0.5
175.04008	16.7
175.05542	0.6
178.02731	0.8
193.05069	100.0
193.67056	0.5
249.13416	4.4
363.16766	0.6
381.17731	1.0
394.81674	0.6
539.35944	0.6
599.23425	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	599.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12498	0.3
55.14732	0.3
59.01384	26.0
71.01365	0.6
75.00852	0.5
85.06590	1.8
89.02435	0.9
94.38470	0.4
101.02409	0.5
110.98537	0.4
113.02444	0.7
113.06084	14.0
121.48129	0.4
127.07603	1.0
131.07132	100.0
139.21327	0.4
173.08191	43.2
178.14975	0.4
192.28326	0.5
217.07178	0.7
217.10757	0.7
227.16554	0.8
303.50781	0.4
306.94653	0.4
599.26282	2.6
619.96625	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	3.8
59.01386	6.9
62.38768	0.8
66.13142	1.0
71.01378	1.7
77.88454	0.8
85.02946	1.7
89.02450	1.1
96.95994	1.4
99.00926	1.1
99.04517	4.3
101.02467	6.1
117.03442	1.5
125.02403	1.6
132.02161	2.0
134.02716	1.8
134.03740	54.8
149.06087	10.1
158.64552	0.8
160.00362	1.4
160.01663	36.3
175.04005	93.3
193.05052	44.5
223.74210	0.9
227.07175	2.1
285.07944	1.0
292.05792	1.6
365.10297	1.1
396.96509	0.9
434.99646	1.0
455.09988	4.1
480.12668	1.1
537.54944	0.9
537.65833	1.0
599.27124	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	599.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03222	1.1
57.03445	14.9
58.50254	0.9
59.01136	1.1
59.01382	14.4
59.56534	1.0
60.53346	0.9
64.05306	1.0
71.01365	6.1
73.02939	1.2
85.02937	1.1
89.02420	1.3
93.36720	1.0
97.27480	0.9
99.04511	17.5
101.02444	6.2
111.27885	1.1
113.02418	1.5
114.63319	1.2
117.03423	1.6
125.02412	9.3
132.02148	2.0
134.03732	56.2
143.03468	1.1
149.06100	7.9
160.00372	2.0
160.01656	46.4
175.03995	95.7
178.79796	1.1
187.51369	1.2
193.05058	50.4
234.19322	1.1
239.61430	1.2
292.05807	1.5
455.10159	9.4
497.11203	1.5
599.14362	5.3
599.27087	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	599.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.3
71.01366	2.3
72.57188	0.5
73.02924	0.6
73.46142	0.5
77.05566	0.6
77.44697	0.5
83.01379	0.5
85.02945	0.7
99.00855	0.8
101.02448	4.1
113.02402	1.0
117.03465	5.4
134.03740	86.1
139.41791	0.6
149.06076	12.7
160.01668	7.4
175.03987	14.4
178.02579	0.7
193.05066	100.0
244.76013	0.6
248.54750	0.6
291.18152	1.1
405.21375	0.7
423.22247	0.7
487.77173	0.7
599.27136	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	599.272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33841	0.5
57.03452	0.9
59.01370	1.2
63.97584	0.5
71.01369	2.4
72.82443	0.5
73.02931	1.1
74.68814	0.5
78.05946	0.5
84.53983	0.5
85.02934	0.8
97.10645	0.6
99.00903	0.6
101.02440	2.2
113.02426	2.1
117.03465	6.5
120.72429	0.4
134.03740	92.5
136.06589	0.5
137.02428	0.9
149.06081	14.6
160.01662	9.3
175.03998	13.3
178.02686	1.3
193.05067	100.0
291.18021	0.6
405.21652	0.9
599.27167	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	599.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28977	3.5
77.09996	4.0
95.83252	4.4
99.92556	37.8
100.93348	18.5
115.92065	47.2
116.92848	91.0
136.71622	4.1
157.08716	21.2
170.28282	4.2
172.39720	4.8
255.23268	18.8
354.55750	3.8
378.16324	4.8
403.89517	4.4
599.28888	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93310	0.4
54.85644	0.5
61.98832	100.0
64.87215	0.5
90.06546	0.5
122.62057	0.5
157.60852	0.5
161.35159	0.6
269.50549	0.6
521.85797	0.7
581.29169	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54264	0.4
56.52654	0.4
57.93290	0.4
58.82706	0.4
59.77389	0.4
60.35976	0.4
76.51273	0.5
78.95898	27.3
79.95736	0.5
96.96003	100.0
96.96958	43.9
101.02496	0.5
108.41325	0.5
130.08742	0.9
138.98048	2.5
143.91180	0.5
147.02586	0.4
161.04558	0.6
185.29167	0.5
221.41016	0.5
241.01192	2.9
259.02246	21.1
259.13052	0.8
414.29279	0.5
601.13812	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	601.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21925	0.8
59.01378	1.4
59.33896	0.8
66.56447	0.6
70.70969	0.6
71.01367	1.0
71.77486	0.6
72.54849	0.9
73.02931	1.3
73.66750	0.6
74.24415	0.7
77.67632	0.7
78.95899	80.5
79.37965	0.9
89.02435	3.5
96.95998	60.1
96.96954	100.0
101.02425	3.2
138.98006	8.6
155.96004	0.9
160.72913	0.9
161.04527	3.3
181.05942	0.8
195.04138	0.8
205.82323	0.8
241.01236	13.3
259.02243	72.8
259.12985	1.6
341.11392	0.9
383.11838	1.0
601.13977	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	601.1534
Annotation	Amaroswerin
Peak:m/z	Relative Intensity
74.10125	0.3
74.58660	0.3
133.01520	1.7
150.04210	67.2
157.86423	0.4
173.73885	0.4
278.03510	0.5
282.08459	100.0
318.06119	38.4
565.17603	2.0
575.60760	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.156
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	6.3
63.60773	1.3
70.02978	7.1
72.04553	1.8
74.02473	49.1
75.37350	1.2
82.00640	1.3
82.15558	1.2
98.02478	6.9
106.21127	1.3
116.03519	25.8
116.05046	14.7
129.05823	19.2
130.06633	7.9
131.98752	1.6
142.06604	8.7
152.01140	7.3
159.09348	1.8
161.04796	12.5
172.07787	1.8
186.05635	3.6
188.89891	1.4
201.10403	12.0
203.08275	79.0
223.06195	1.3
223.08470	6.1
225.06447	7.6
245.09319	100.0
249.06476	11.8
267.07513	87.4
311.06537	37.4
395.53064	1.5
471.16754	1.8
513.17517	61.7
557.16180	2.2
601.20929	3.0
601.31836	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	601.209
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28773	0.8
59.01366	1.4
63.56839	0.9
71.20956	0.8
73.58412	0.9
109.02927	4.3
121.02947	13.5
135.04506	7.0
149.02339	1.1
152.99577	1.2
164.04735	3.5
179.07175	1.9
269.04602	5.3
270.05383	1.7
271.06165	1.1
277.21695	3.7
284.06882	1.8
285.07773	1.7
286.05142	1.0
286.08609	1.1
301.10822	1.4
352.89240	0.9
405.09592	1.6
409.73492	1.1
410.85657	1.1
449.12369	5.1
454.65140	1.1
541.11530	1.5
556.13812	3.8
571.16229	8.8
601.20868	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	601.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13448	2.0
57.03450	17.7
59.01377	17.6
61.60126	2.1
71.01398	2.1
99.04508	17.4
99.92580	11.9
100.93390	23.8
115.92098	22.4
116.92850	100.0
125.02435	8.4
145.41974	2.1
188.41846	2.5
228.16046	3.7
261.35504	2.1
265.05594	2.8
279.03244	3.4
539.23254	9.9
553.21136	10.2
565.20990	13.4
583.22034	3.3
601.23346	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	601.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	86.5
57.36731	1.7
59.01104	3.6
59.01383	81.2
64.24802	1.5
79.46848	1.8
83.83559	2.1
89.02435	2.9
99.04512	100.0
101.02431	17.8
110.64700	1.8
125.02437	48.3
125.72871	1.7
126.37588	1.7
143.03455	4.5
145.20326	1.8
163.03979	4.4
167.21931	2.1
178.99890	2.3
249.21506	2.3
413.21887	2.7
455.22833	3.2
480.07727	1.9
515.50793	2.3
557.25897	13.7
601.21466	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	601.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73734	0.9
57.03452	79.5
59.01384	81.4
67.56750	1.1
71.01389	2.6
72.15046	1.2
73.02959	1.6
74.09903	1.2
77.22189	1.0
77.39806	1.2
85.02953	1.9
99.04515	100.0
101.02438	17.2
113.02452	2.1
125.02422	40.4
139.11330	1.4
143.03493	5.8
209.15549	4.9
396.53391	1.4
413.21954	6.9
455.22977	13.5
488.24051	1.3
513.27197	1.6
557.26019	25.7
601.24603	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	601.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01082	1.0
57.03452	57.8
57.96455	1.1
59.01383	100.0
61.66481	1.2
63.20914	1.4
71.01382	5.7
74.92696	1.4
99.04512	97.5
101.02444	12.2
107.96956	1.2
109.86491	1.2
113.02428	1.7
125.02442	54.9
143.03493	5.8
161.04671	1.9
244.86183	1.3
250.62170	1.4
395.20718	2.6
413.21808	12.0
423.72369	1.5
455.22876	17.6
495.26169	1.6
513.27087	8.0
517.44696	1.2
557.26233	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	601.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77460	1.1
57.03452	60.3
59.01384	87.2
71.01386	2.3
72.16510	1.5
73.02950	1.3
81.03484	1.9
91.74081	1.7
98.51577	1.3
99.04510	100.0
101.02451	12.8
113.02406	2.4
125.02444	49.1
143.03467	6.4
144.79706	1.5
148.24535	1.4
161.69574	1.4
257.96143	1.6
395.21170	2.1
413.21832	6.9
455.22882	16.5
513.26721	2.1
557.25916	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	601.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16063	1.0
52.93163	1.0
57.03455	80.5
59.01386	72.3
66.50674	0.9
71.01389	6.4
73.02948	7.2
81.03471	1.3
83.01394	1.4
85.02898	1.1
88.51256	0.9
89.02422	1.5
91.27391	1.0
91.39870	1.0
95.01322	1.0
99.04518	100.0
100.08330	1.3
101.02453	18.3
113.02451	5.3
124.82424	1.1
125.02447	39.7
143.03519	8.6
161.04573	2.8
165.65486	1.0
203.05638	5.0
223.78850	1.2
413.21725	1.8
455.23199	2.7
497.69800	1.4
513.27039	1.5
557.26074	20.7
601.14020	1.5
601.23718	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	601.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20239	1.4
57.03449	92.3
59.01103	4.1
59.01383	82.5
65.12754	1.6
71.01363	2.0
74.36782	1.9
82.07713	1.7
96.95977	1.9
99.04514	100.0
101.02422	15.0
125.02428	46.0
138.82686	1.9
143.03447	3.7
145.54807	1.9
161.04741	2.0
163.04001	2.6
407.65244	2.4
413.21747	3.3
431.30292	1.9
455.23166	2.3
523.43604	2.0
557.26282	20.6
601.25507	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	601.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73711	1.6
52.74564	1.8
57.03454	95.9
59.01383	94.9
61.17409	1.6
64.19190	1.7
71.01382	2.8
76.32829	1.8
83.61343	2.3
93.03466	7.7
99.04514	100.0
101.02412	20.1
101.92946	1.9
105.55432	2.2
125.02419	34.3
128.95894	2.3
134.03740	12.8
135.04074	3.1
137.02440	22.5
143.03468	4.6
178.02708	2.6
193.05058	12.2
268.04419	2.3
319.43628	2.3
333.82748	2.5
413.21957	9.8
430.02344	2.2
455.22806	13.3
467.31284	2.2
513.27460	2.2
541.38086	3.4
557.26294	21.7
601.23999	11.4
615.72461	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	601.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.6
61.98825	1.5
97.06577	4.7
118.99234	0.8
123.08162	1.6
125.09713	84.9
148.04373	0.9
150.75056	1.0
154.11057	0.9
169.08694	4.2
187.09764	100.0
232.02541	1.0
243.12434	1.6
252.70947	1.0
261.13498	16.7
262.58051	0.9
300.11676	0.8
347.36414	0.8
369.90543	1.0
431.22885	4.0
451.39835	0.9
522.00989	0.9
601.32391	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	601.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88486	0.4
55.29657	0.5
55.45468	0.4
63.99916	0.4
87.00871	100.0
92.23150	1.0
107.56580	0.5
155.47227	0.5
169.28029	0.5
174.23491	0.5
240.88603	0.5
277.21829	2.7
279.60400	0.6
280.40250	0.4
437.41718	0.6
601.19464	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20367	0.5
67.05214	0.6
87.00868	100.0
124.72133	0.6
125.24358	0.7
277.21686	1.5
381.24255	0.7
383.56100	0.7
530.73291	0.7
584.31116	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72219	0.8
56.16544	0.8
57.03447	5.2
59.01377	2.3
69.03435	1.2
71.01376	6.0
72.99313	2.4
83.01392	1.6
84.84658	0.9
85.02942	18.0
87.00885	3.9
87.04511	1.1
90.35485	0.9
92.23071	1.0
97.02938	5.2
99.00847	7.7
103.65076	1.0
111.00871	1.9
113.02413	1.6
115.03999	4.5
119.05018	51.5
127.07676	2.0
129.01958	13.9
129.05548	1.5
130.08873	1.0
131.02747	1.1
134.03773	2.1
137.02429	4.4
141.01929	1.8
145.02986	6.8
149.06035	3.8
159.02982	1.5
161.06129	1.3
163.04010	81.5
175.03955	2.1
176.04707	1.4
178.02786	1.7
191.05624	5.8
191.07173	6.5
193.05025	13.5
205.05051	1.5
209.06621	11.8
235.06177	9.2
263.83087	1.1
265.07092	1.5
295.08176	1.7
355.10471	5.0
397.11597	4.0
509.12970	1.8
509.72299	1.3
517.15735	1.0
559.16742	100.0
603.18817	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	603.267
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	71.3
59.01100	4.7
59.01385	94.1
61.98834	5.4
71.01389	5.1
71.68777	2.3
72.17550	2.4
73.02950	3.2
89.02451	4.8
99.04520	100.0
101.02437	15.5
113.02454	4.7
116.05048	6.3
120.58952	3.1
122.27502	2.6
125.02426	35.4
143.03470	4.8
146.88066	2.7
150.03220	4.3
165.05542	22.8
172.43370	3.6
205.05211	2.8
219.87657	3.4
262.83115	3.1
415.23788	5.2
457.24936	4.4
459.25604	11.0
501.27429	3.3
510.34689	3.6
559.29956	5.6
603.22345	28.5
603.32184	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	603.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	83.5
59.01382	93.7
66.98124	1.7
68.79523	1.6
69.30390	1.7
69.73872	1.5
70.00161	1.9
71.01367	8.9
73.02954	2.7
79.11166	1.6
81.03423	3.3
89.02453	4.3
96.95946	2.6
99.04510	100.0
99.19494	1.8
99.53796	1.9
101.02420	25.1
106.96807	2.1
113.02451	2.7
125.02422	48.6
140.73097	2.1
142.13396	2.1
143.03438	3.8
161.04547	2.5
223.92938	2.3
230.55814	2.1
295.38129	2.0
360.68115	2.1
373.22232	4.0
415.23422	14.5
432.83624	2.3
457.24823	15.1
559.27649	28.2
603.27643	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	603.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04623	1.8
50.90307	2.4
51.45098	2.4
53.84379	1.8
55.26740	1.9
57.03451	71.1
58.39335	2.3
59.01103	3.5
59.01383	84.1
61.30406	1.8
65.56078	2.0
69.69180	2.1
70.38015	2.5
71.01361	2.5
73.02905	2.3
73.54061	1.9
83.23634	2.2
99.04512	100.0
101.02445	18.0
125.02430	40.2
143.03487	3.7
160.84897	2.4
169.13966	2.3
238.22466	3.0
268.64349	2.6
289.77338	3.1
301.21387	2.6
415.23605	8.5
457.24979	17.9
493.40564	2.7
496.49509	2.6
559.27618	23.0
603.27936	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	603.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00127	1.6
57.03452	76.6
59.01382	86.4
71.01373	12.6
83.01397	2.0
89.02434	9.4
90.45660	1.5
96.95983	2.5
99.04515	100.0
101.02436	19.9
103.20328	1.8
113.02411	4.1
119.03445	2.2
125.02438	37.2
128.39157	1.7
143.03481	8.5
161.04532	3.8
197.71724	2.1
211.16956	1.8
293.21362	2.0
339.09116	2.0
373.22339	7.9
415.23392	35.6
429.74283	1.9
453.91815	1.8
457.24350	23.9
515.28949	2.8
559.27747	24.9
599.78363	2.4
603.30908	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	603.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86086	0.9
56.92470	0.8
57.03453	87.4
57.21267	1.0
59.01386	86.2
71.01375	1.7
81.03452	2.0
85.02930	1.1
88.98789	6.5
99.04514	100.0
101.02444	18.1
113.02431	1.9
114.16008	1.2
116.01389	1.0
125.02446	44.0
126.13328	1.2
143.03502	7.2
161.04576	2.0
167.03438	1.4
273.35703	1.0
327.40979	1.3
415.23401	6.1
452.01312	1.2
457.24564	9.0
491.96463	1.1
497.27170	1.4
559.27643	22.0
603.26532	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	605.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	7.0
59.01383	9.0
79.88792	0.8
81.93571	1.0
85.02930	2.1
87.00867	1.2
90.94975	0.8
99.04491	6.8
101.02424	3.8
109.79182	0.9
110.56869	1.0
111.00839	1.8
123.53181	0.9
125.02444	3.2
134.03726	1.6
134.65294	0.9
149.06059	1.9
161.99541	1.1
178.02702	3.6
185.51335	0.9
191.23358	1.0
193.05052	7.9
212.52284	0.9
227.03387	4.2
243.06621	1.5
247.47415	0.9
255.03017	15.6
256.03705	4.4
271.06024	1.1
283.02496	83.3
284.03290	46.1
284.43384	1.0
298.04846	88.0
299.05627	100.0
313.07114	7.4
503.12039	54.9
561.32574	1.8
587.14294	11.0
605.14917	48.3
605.22803	5.3
605.31512	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	605.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	8.2
59.01376	10.7
73.02959	1.3
85.02962	1.7
87.00871	1.1
89.02428	1.0
89.17596	0.9
99.04511	9.4
101.02436	2.2
113.02512	0.9
120.51952	0.9
125.02415	5.6
134.03746	3.9
175.04042	1.3
193.05051	4.8
227.03447	4.7
228.04218	1.4
255.03001	13.2
256.03723	6.9
283.02499	77.8
284.03278	44.0
284.05750	1.2
298.04855	91.0
299.05634	100.0
313.07248	6.4
332.25626	1.1
473.27542	1.7
503.12018	50.3
569.21722	1.4
587.14270	9.7
605.15161	49.2
605.31744	4.4
634.16846	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.2
65.18398	0.9
69.95745	0.8
71.01389	9.9
72.99312	1.8
73.02937	1.5
75.00871	11.3
85.02946	14.0
87.00877	1.8
89.02447	3.9
93.03434	1.6
95.01384	3.7
99.00888	10.5
102.53175	1.0
111.00867	0.8
113.02437	18.9
113.99800	1.0
115.00383	1.6
117.01954	3.3
119.04962	1.1
129.01961	2.1
131.03473	0.9
132.11237	1.0
134.03741	18.3
135.04515	2.0
137.02449	8.4
144.04539	1.0
147.02956	1.0
149.06104	12.0
161.02440	1.9
163.04071	6.7
166.05962	0.9
173.57837	1.0
175.02557	1.3
175.03960	9.0
178.02728	5.2
179.03488	2.1
193.05070	58.0
203.08310	6.5
212.30257	0.9
235.06114	1.1
249.06172	18.8
253.07242	1.3
267.07047	18.8
293.12372	1.0
299.07794	1.6
343.21820	0.9
425.11063	1.3
443.12103	16.9
605.17371	100.0
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
50.72023	1.9
51.38566	2.4
51.70381	1.6
54.49291	1.7
56.38148	2.2
57.88554	2.0
59.01390	5.6
59.80063	2.1
63.38375	1.9
71.01392	3.7
78.87746	2.1
81.51478	2.8
87.00880	4.7
89.02451	11.5
99.00875	3.4
101.02438	4.5
113.02430	15.7
113.87679	2.0
118.05120	2.6
134.03746	20.9
149.06088	12.8
160.01649	9.6
167.03418	3.4
175.04013	81.8
175.05522	3.2
178.02954	2.4
191.07028	3.0
193.05072	99.9
207.06622	2.9
235.06117	25.6
249.06247	3.9
265.07217	9.9
267.07184	3.3
295.08301	19.7
337.09314	5.1
355.10110	3.3
383.10040	3.1
443.12091	49.9
517.15613	23.6
605.17352	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26495	1.5
55.93541	1.4
59.01382	25.5
67.08084	1.4
67.10187	1.7
71.01379	6.5
73.02935	23.4
73.54995	1.7
74.31339	1.8
78.12290	1.5
83.01398	3.9
83.03458	1.6
89.02467	2.0
96.75367	1.5
101.02447	14.4
113.02428	7.0
119.03510	2.7
136.01649	25.7
144.07787	2.2
145.06247	2.0
149.04613	2.1
151.04004	100.0
161.04543	3.5
186.08853	3.2
206.51321	1.8
221.06604	1.9
268.11115	2.0
281.08121	2.8
293.07895	2.5
294.09052	2.4
308.10553	2.9
309.07718	58.9
309.11203	2.8
312.42435	1.9
324.10092	29.0
339.12424	54.4
342.11102	3.2
357.09253	3.5
357.13495	86.3
543.19263	5.7
605.29364	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	605.1886
Annotation	Embinin
Peak:m/z	Relative Intensity
51.48527	1.0
51.64579	1.2
59.01380	7.9
71.01366	1.8
85.02982	1.6
86.36068	1.3
110.60830	1.3
119.22070	1.5
145.06165	8.5
175.03830	1.4
183.13893	9.3
190.06369	6.3
222.05345	2.8
266.54001	1.4
279.06717	2.3
281.08206	2.2
282.35522	1.5
292.07278	1.8
293.08194	2.7
294.09027	7.6
296.10645	3.0
297.07697	19.3
297.10916	2.2
307.09406	1.4
308.10580	5.9
309.07706	48.1
309.11365	17.5
312.10065	53.7
323.09055	4.5
324.06329	2.2
324.10077	42.2
327.12399	100.0
339.12363	76.1
357.13763	1.6
390.03625	1.5
447.10434	1.4
504.33466	1.7
605.25537	15.1
611.38934	1.4
619.14551	1.4
632.79523	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	605.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	22.8
63.65253	1.0
70.12736	0.9
71.01368	4.5
73.02942	21.0
73.06197	1.0
83.01396	1.9
85.02960	1.4
89.02429	2.5
95.21895	1.0
101.02440	14.9
113.02440	2.2
114.81140	1.0
118.29232	1.0
125.02378	1.3
126.06715	1.3
127.05128	1.4
136.01653	22.7
144.07761	5.8
145.06181	4.3
149.04535	2.3
151.04001	100.0
161.04535	6.0
163.03967	1.2
168.07837	1.9
175.07585	1.1
176.95328	1.0
186.08818	5.6
190.06494	1.3
240.13205	1.2
251.91135	1.2
279.06842	1.6
281.08066	1.5
293.08133	1.9
296.10620	2.3
308.10736	4.4
309.07727	41.4
309.11121	3.0
314.24960	1.1
323.09164	2.2
324.10056	23.7
327.12082	1.4
339.12366	42.5
342.11005	5.8
357.13467	69.5
357.17914	2.4
531.19189	2.1
543.18604	8.4
605.30133	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	605.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43583	0.4
57.30660	0.5
64.46390	0.5
65.22231	0.5
70.92093	0.5
72.00690	0.5
72.99301	0.9
84.93848	1.1
97.45708	0.5
99.00829	0.7
99.92574	14.0
100.93360	14.7
103.00353	0.8
115.92068	22.7
116.92852	100.0
126.94943	0.8
127.00376	0.8
129.94536	0.5
142.94391	2.9
156.95949	1.1
166.94446	0.6
169.92871	0.6
170.93912	10.6
184.95506	2.3
200.87094	0.6
203.13057	0.6
249.30679	0.6
255.23344	5.6
256.93903	0.7
273.94260	1.1
295.83444	0.6
300.24872	0.6
339.16672	0.7
371.15366	2.1
395.49329	0.5
490.01501	0.6
587.21777	3.5
605.22778	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	605.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09759	1.5
60.36198	1.4
62.33538	1.8
65.14614	1.6
86.89104	1.5
87.00797	1.9
88.98779	12.1
89.02420	6.8
89.32366	1.7
110.14214	2.0
116.92804	2.7
155.90933	1.6
185.83479	2.0
215.01219	2.0
226.54819	1.7
284.02548	1.9
290.03497	1.8
350.70941	1.9
431.22443	9.3
443.22403	14.1
443.68127	2.1
445.24017	8.6
446.24707	3.3
457.23886	14.9
459.22046	12.3
469.20316	2.1
470.21066	4.0
473.23935	2.2
474.20416	8.6
485.23880	27.5
486.20807	13.0
487.21332	59.0
490.20441	2.6
501.22940	20.2
502.23972	21.5
511.21640	7.0
513.19366	2.4
514.20050	23.3
517.26379	2.7
529.22272	36.5
546.16284	2.4
546.22772	76.1
561.25128	39.0
562.22131	13.8
605.24078	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64010	1.2
56.65392	1.3
63.57433	1.3
75.57119	1.3
132.34767	1.4
228.10417	1.9
240.55621	1.7
298.48325	1.7
457.20322	3.0
459.18079	2.3
472.19009	1.8
473.19971	7.5
486.21072	10.8
499.17981	2.9
501.18622	1.8
501.23560	2.8
511.21661	2.9
513.19452	3.1
514.20227	15.9
518.19678	2.5
529.22491	100.0
573.21747	3.0
605.24231	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	605.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90219	1.5
57.31173	1.6
57.51519	1.7
57.89751	1.8
65.55624	1.6
67.38388	1.7
89.21856	2.1
95.94145	1.7
209.93771	1.7
276.30820	2.1
383.50989	2.1
414.44180	2.0
442.22009	3.9
443.22156	16.8
445.23859	2.7
457.24194	18.6
460.23056	3.2
469.20050	2.1
470.21371	3.7
485.24054	14.5
486.20239	2.7
487.21393	12.6
501.23071	19.4
502.23877	16.2
513.19391	7.4
514.20190	46.2
529.22601	36.2
546.21893	2.4
561.25385	17.0
605.24109	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77355	0.5
57.50701	0.5
72.72034	0.5
75.90873	0.5
78.61829	0.6
86.37663	0.5
101.62112	0.5
137.09142	0.6
171.10271	0.8
425.07855	0.6
457.20245	1.4
459.17545	4.2
470.21323	1.1
471.18161	1.0
472.18814	1.2
473.19760	9.6
474.20660	0.6
485.18939	1.2
485.24210	1.2
486.20956	8.0
487.21497	2.4
496.19296	1.1
499.17636	4.3
501.23969	6.5
502.20120	0.9
511.21240	4.2
513.19067	4.6
514.20074	16.6
514.26880	1.1
518.19824	2.8
528.22040	0.8
529.22516	100.0
532.21356	1.0
546.22510	0.8
573.21698	5.3
605.23865	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	605.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.6
59.85075	1.2
64.18362	1.4
105.08662	1.4
125.09687	1.7
164.57825	1.4
431.22391	7.7
442.21671	3.6
443.22760	14.7
445.24081	6.0
446.24698	3.5
457.24030	20.8
459.22064	12.9
470.21432	13.0
471.21945	2.3
474.24155	8.2
485.23779	36.8
486.20535	9.6
487.21423	69.7
501.22971	27.4
502.23868	24.6
511.21506	7.4
513.19476	3.6
514.20020	22.9
517.26007	1.8
518.23352	2.8
529.22552	40.4
529.29889	3.1
546.22791	73.4
561.25079	46.0
562.21893	15.1
569.40430	2.3
605.24249	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62508	1.2
57.03452	60.8
59.01383	84.9
59.01683	3.1
66.44675	1.5
71.01378	19.1
73.02938	14.7
79.06416	1.3
83.01375	3.0
85.02940	3.2
85.79252	1.3
87.00880	2.0
89.02428	9.8
95.27291	1.4
96.96004	29.6
99.04509	55.2
101.02452	29.2
113.02435	10.8
114.42483	1.4
119.03520	1.9
125.02442	30.6
131.95395	1.7
143.03514	3.4
161.04521	2.8
169.83026	1.3
195.13933	17.6
208.21375	1.7
213.14993	9.7
227.80772	1.6
239.20871	1.7
299.22421	1.8
350.21777	1.5
357.19296	14.3
365.63263	1.7
375.20309	28.1
417.21301	100.0
459.22247	32.6
473.27658	1.8
499.25266	3.3
561.25018	15.7
567.16479	1.6
605.32788	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	605.246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	42.3
62.76529	1.2
64.89601	1.3
70.25711	1.5
71.01374	19.7
73.02914	3.5
74.39922	1.3
80.45310	1.4
83.01354	1.8
85.02938	7.9
89.02438	18.1
101.02444	18.5
113.02454	11.7
119.03527	3.3
124.18046	1.5
130.08714	1.5
161.04605	2.4
161.09573	1.7
161.13348	17.9
187.11284	56.4
191.82343	1.8
193.07101	19.0
204.69563	1.4
205.12369	10.8
224.17822	1.7
225.16042	2.7
226.82990	1.4
231.10268	3.1
249.11282	2.8
255.02957	3.6
284.03256	13.1
294.08978	1.8
297.07742	2.9
309.07733	12.9
309.10895	2.6
312.10153	11.9
324.09952	14.2
327.12482	21.8
339.12433	22.7
381.19077	3.1
425.18201	52.5
489.10352	13.0
605.24609	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01906	1.0
56.11869	0.9
57.03445	1.8
59.01101	1.7
59.01377	32.3
63.04902	0.9
63.16195	0.9
65.16952	0.9
71.01378	16.4
73.02931	4.9
83.01391	1.3
85.02944	9.3
85.39546	1.0
89.02444	17.0
95.01375	1.7
95.04980	1.5
99.04530	1.7
101.02441	17.0
111.00876	1.2
113.02444	12.5
119.03484	4.2
121.68333	1.0
131.67435	1.1
136.38701	1.0
151.03987	2.2
161.04558	2.1
161.09744	1.1
161.13350	11.2
182.43961	1.0
185.09747	1.0
187.11282	40.3
193.07185	16.9
205.12332	11.0
231.10248	1.7
249.11256	2.3
309.07745	6.3
324.10049	2.4
339.12598	3.5
357.13687	1.3
381.19034	1.2
425.18185	45.8
445.28287	1.1
605.24554	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83355	1.3
57.03431	2.0
59.01106	1.7
59.01381	38.9
63.48286	1.4
67.56677	1.5
71.01373	16.9
71.90480	1.4
73.02927	2.2
79.56524	1.7
81.19502	1.6
83.01344	1.9
85.02951	9.6
89.02452	16.9
89.39655	1.6
92.56097	1.5
95.80231	1.6
99.00842	2.6
99.04520	2.4
101.02442	17.3
113.02421	11.4
148.04085	1.9
151.03981	7.5
161.04561	3.3
161.13390	12.2
187.11308	40.0
190.77151	1.7
193.07156	15.2
205.12285	11.5
249.11282	2.5
357.13531	3.3
371.62912	1.8
376.86261	1.8
425.18192	52.5
478.24619	1.8
605.24463	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	605.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	36.8
71.01008	1.4
71.01374	18.2
73.02937	4.0
73.70657	0.8
85.02960	4.5
85.33251	0.9
89.02439	18.2
95.05012	1.4
99.04528	2.1
101.02454	18.5
101.34360	1.0
107.05009	1.9
113.02452	10.9
118.36986	0.9
119.03518	3.4
125.02551	0.9
157.06535	1.0
159.11804	1.2
161.04587	3.8
161.09758	2.2
161.13399	13.6
177.33827	0.9
187.11298	44.5
193.05302	2.8
193.07176	15.1
205.12370	12.5
231.10210	1.2
249.11403	1.9
309.07776	2.1
312.10074	1.3
327.12350	3.8
332.62442	1.0
339.12531	5.3
381.19006	2.0
393.33475	1.1
425.18234	53.2
605.24597	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	605.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11570	0.6
59.20289	0.6
76.46179	0.5
122.35335	0.6
151.26390	0.6
162.06139	0.7
191.03392	0.7
253.48036	0.6
332.09756	0.7
445.20380	100.0
459.21915	21.6
460.22729	6.3
473.19641	2.6
487.21414	1.2
504.21664	49.0
518.23370	7.3
519.16333	0.9
519.23975	23.1
573.24921	2.7
605.27771	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	605.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66726	0.9
59.01101	1.9
59.01383	44.0
71.01377	26.2
84.99441	1.0
85.02945	2.0
88.43991	1.0
89.02439	48.4
97.68092	1.1
101.02431	15.6
101.09146	1.2
107.51997	1.1
113.02435	14.5
113.06049	1.2
117.27097	1.1
118.51465	1.0
119.03490	18.8
131.07137	11.5
143.03452	2.2
146.95016	1.3
149.04568	1.4
161.04573	5.9
173.08168	5.1
179.05623	46.2
192.59663	1.2
240.78935	1.2
347.18600	6.8
365.19876	9.9
383.20779	100.0
485.23611	1.4
545.26276	2.0
560.69379	1.5
605.28949	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	605.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	19.8
61.98841	1.6
71.01381	6.8
73.02932	1.1
83.01381	2.8
85.02954	1.4
89.02441	8.4
96.32139	1.1
97.06580	1.3
101.02426	10.5
113.02466	2.3
119.03503	2.4
125.09686	5.1
143.03468	1.4
144.14444	1.1
150.10385	1.3
161.04529	2.9
163.11290	4.9
165.12868	11.8
168.11508	1.5
176.49272	1.2
181.12303	1.7
193.16008	4.3
209.11855	38.6
247.20726	15.0
253.09288	30.8
265.21701	6.9
273.18484	2.4
281.21173	1.4
283.22580	1.8
291.19693	75.8
309.20752	100.0
377.98090	1.2
526.71240	1.6
527.29327	3.4
545.29791	21.8
559.86249	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	605.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78284	0.7
52.12457	0.7
52.33561	0.6
57.03456	11.9
59.01384	100.0
60.95421	0.8
68.80061	0.8
71.01373	1.1
81.55711	0.7
88.89620	0.8
92.95602	0.7
93.31829	0.8
97.02949	1.2
98.10126	0.8
99.04511	14.4
101.02429	1.7
101.31961	0.8
103.93767	0.8
125.02444	7.7
141.62595	0.9
177.05226	0.9
343.50275	1.1
461.31448	1.0
482.99429	0.9
515.33917	1.4
527.33795	17.2
532.91119	0.9
533.29224	1.0
545.35016	52.0
605.24493	1.0
605.35919	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	605.4428
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08913	4.6
56.69568	3.9
76.85331	4.5
108.39737	5.4
115.92079	9.0
133.94600	4.3
136.74455	4.8
187.72496	5.3
293.21252	100.0
605.44507	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	605.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60672	2.3
103.67652	2.9
112.20135	2.5
126.46165	2.5
164.39044	2.4
175.03978	3.7
219.64075	2.7
222.81453	2.6
225.14963	15.7
225.22102	3.0
271.22766	4.7
277.21481	2.6
279.23386	3.4
295.22800	4.5
605.48206	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07886	1.4
54.06892	1.3
57.03419	1.5
58.02968	10.3
59.01371	1.8
59.19568	1.7
60.33401	1.5
67.45381	1.4
70.02969	8.9
70.26794	1.4
71.01328	1.5
85.02945	9.4
91.05503	4.1
92.22774	7.2
99.00846	2.6
103.45469	1.8
112.04423	1.8
119.05014	10.9
126.51306	1.5
129.01912	6.2
147.04504	14.5
156.94963	1.8
163.03983	20.8
164.07178	75.7
176.40575	1.6
188.02065	1.8
191.05600	3.1
206.08232	100.0
206.83665	1.6
209.06691	30.9
250.07147	1.9
251.53293	1.9
318.42639	1.5
337.64365	1.7
355.10394	51.7
376.51923	1.9
410.87277	1.7
517.19226	1.7
606.17181	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	606.4881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14369	1.4
85.57590	1.5
112.49030	1.6
141.77817	1.4
185.36757	1.5
213.81509	1.5
225.22250	23.9
248.65582	1.6
253.21742	11.2
255.23338	8.7
266.24579	1.5
267.23407	3.2
270.24350	2.3
271.22809	15.7
278.24939	1.8
314.27158	10.1
316.90375	1.7
326.26941	2.7
402.59286	1.6
570.51129	77.3
606.48822	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48178	0.2
51.95617	0.2
57.03443	0.4
59.01379	3.7
59.33734	0.2
64.04095	0.3
65.00310	0.6
73.02960	0.3
83.01377	0.3
85.02957	1.3
89.02441	0.7
90.37740	0.3
93.03445	5.5
97.02957	0.3
99.04502	0.5
101.02435	2.0
111.00899	0.3
113.02435	0.6
117.03461	3.7
119.05000	3.6
121.02915	0.6
125.02403	0.5
131.03098	0.3
132.02054	0.3
145.02942	38.6
149.99548	0.5
151.00360	4.8
161.06088	0.5
162.97253	0.3
163.00383	1.5
163.02858	0.4
163.03987	3.0
164.01126	0.4
165.01913	39.8
169.01509	0.4
178.02733	2.7
205.04942	0.4
206.02238	1.2
212.04803	1.8
228.04407	0.4
239.03404	0.6
240.04276	8.2
243.06636	4.4
255.03104	1.2
255.06654	2.4
256.03839	2.6
271.06131	54.9
283.02393	2.6
284.03271	52.3
285.03964	2.4
297.04071	0.4
298.04807	2.5
299.05621	100.0
301.05957	0.4
307.08240	8.0
347.12402	0.3
441.01871	0.4
475.29120	1.2
543.04736	0.3
547.31274	1.4
565.32288	0.7
607.14661	77.0
607.33331	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	607.1677
Annotation	Diosmin 
Peak:m/z	Relative Intensity
54.67232	0.3
64.61440	0.3
66.59064	0.3
70.91174	0.3
91.83527	0.4
116.84561	0.3
125.14230	0.3
125.52026	0.3
165.01898	2.5
254.02193	0.4
255.02969	7.3
256.03690	0.4
271.06067	1.4
283.02496	91.0
284.03253	3.6
298.04855	100.0
299.05649	9.6
540.97797	0.4
607.16809	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	607.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56652	0.8
57.75594	1.1
59.01385	1.9
70.88578	1.0
71.01357	1.3
73.84756	0.9
84.97626	0.9
93.03449	28.5
113.02433	1.6
117.03455	1.5
134.03740	54.6
137.02443	88.5
149.06079	15.8
157.23344	1.2
157.91887	1.0
160.01628	6.8
163.03951	1.1
164.04765	1.4
175.04013	13.9
175.07634	5.1
177.05492	1.6
178.02710	25.8
192.07877	1.1
193.05067	100.0
220.21074	0.9
328.09708	1.2
329.14001	12.6
343.11981	3.6
359.14932	1.9
388.11847	1.2
400.01892	1.1
403.14078	6.4
413.11038	20.1
431.11981	4.2
607.16815	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	607.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22260	0.5
50.40569	0.5
58.58335	0.5
68.32405	0.6
73.43839	0.6
74.02482	0.7
88.98809	3.0
99.00867	1.0
100.23367	0.6
113.02401	0.9
117.19224	0.7
175.08415	0.8
193.44325	0.8
200.42299	0.6
247.27344	0.8
249.67365	0.7
271.06015	1.0
284.03271	83.2
299.05630	100.0
427.10330	0.8
481.19775	0.7
516.25879	0.9
607.16547	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	607.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18866	2.4
57.86349	2.5
58.23471	3.1
59.01103	4.7
59.01382	100.0
68.61529	2.7
71.01375	40.8
71.70116	2.6
73.02940	69.5
74.02465	7.4
75.00858	3.0
83.01399	15.3
83.60320	2.8
85.02951	17.3
87.00871	7.3
88.98795	5.7
89.02428	30.5
101.02427	58.3
113.02448	45.4
119.03493	5.5
123.04557	4.5
149.04506	11.8
151.03998	17.2
159.04515	4.0
160.05261	7.0
161.04608	15.3
166.08757	12.3
172.05331	3.1
173.06050	3.8
175.07619	4.6
178.02847	3.8
179.03482	3.7
181.13326	3.0
190.06374	17.7
193.05042	13.5
194.05844	12.1
203.08284	18.5
205.08734	23.3
209.08197	17.9
221.06682	4.0
222.38771	3.2
267.07233	7.1
271.06100	14.2
283.02429	39.6
286.08643	4.0
296.10522	17.0
298.04886	52.7
299.05566	6.4
311.12946	14.1
329.13620	12.1
329.72726	3.2
341.13879	38.9
357.13431	14.2
393.05017	3.6
503.19513	36.0
523.93512	3.3
563.21460	47.6
605.80945	4.7
607.21014	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	607.2043
Annotation	Matteucinol 7-O-beta-D-apiofuranosyl(1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.76806	0.3
54.92891	0.3
59.42944	0.4
59.48716	0.3
61.78725	0.4
66.98696	0.4
71.68372	0.3
89.29668	0.5
121.02963	0.6
134.03784	0.6
136.05293	2.9
137.02438	1.8
137.06082	0.6
146.03745	0.4
149.02440	0.6
150.03195	3.8
151.03935	0.6
153.05598	0.5
159.04466	2.2
160.05280	13.2
161.06079	0.9
163.04033	2.8
164.04756	3.3
174.06761	0.6
175.07640	33.9
176.04918	0.4
177.05565	5.3
178.06348	16.2
187.67671	0.4
191.07164	0.4
192.07945	12.2
193.05064	2.8
193.08719	6.0
209.12924	0.4
283.61435	0.5
299.12766	0.5
309.41010	0.4
314.11569	1.6
329.13974	100.0
343.12183	0.4
359.15079	21.7
533.20306	1.9
549.53760	0.5
563.21490	3.0
607.16949	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67953	0.6
59.01374	4.8
66.60762	0.6
71.01366	1.1
73.02965	0.7
101.02425	1.1
110.67665	0.7
113.02440	1.1
120.89194	0.7
123.04477	1.0
133.71577	0.8
136.05296	1.8
141.03181	0.8
150.03230	1.6
155.22827	0.7
159.04527	3.0
160.05289	14.8
161.06082	3.0
163.03998	4.4
164.04781	5.0
168.32176	0.8
170.78714	0.8
173.06073	1.8
175.07648	35.4
177.05598	5.6
178.06346	19.6
186.17133	0.8
192.07928	10.5
193.08771	5.4
314.11511	1.0
329.13965	100.0
341.13867	1.1
356.79694	0.8
359.15042	19.2
401.15976	1.6
407.48987	0.8
503.19235	1.4
547.27057	0.9
607.26874	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	607.225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80465	1.7
57.42444	1.4
57.42772	1.3
69.00298	1.4
72.99318	15.4
73.65123	1.5
91.05537	3.8
117.03445	2.1
133.06664	2.5
135.04506	1.6
139.61493	1.7
145.55350	1.9
149.06081	51.9
163.04025	15.9
177.05568	15.5
179.55147	1.9
219.25940	1.7
232.39975	1.7
239.05621	100.0
302.05026	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	607.2567
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
59.73890	3.5
61.39835	3.8
78.95895	8.2
81.45007	4.7
82.68055	4.2
91.25741	5.0
99.94878	5.5
103.90496	4.2
105.26278	4.3
121.45411	5.3
204.23915	5.7
235.41800	4.5
269.17526	4.9
283.26477	6.7
420.41714	5.3
431.22095	19.1
445.24115	10.1
459.25674	6.5
460.22952	48.8
471.22189	9.7
472.22656	56.0
474.20367	8.3
475.21350	28.1
487.24905	100.0
502.20331	32.9
519.27289	9.4
531.24146	80.7
563.26495	24.6
575.23309	19.5
607.26111	33.4
607.35608	6.1
607.45856	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	607.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80818	1.6
53.39713	1.5
62.97160	1.6
79.60658	1.7
85.86045	2.0
115.46235	1.7
117.90868	1.8
139.45598	1.9
173.91975	1.9
267.37061	1.8
371.81091	2.1
378.98682	2.0
431.22546	15.9
444.23068	4.1
445.23987	10.2
447.25562	9.2
448.57248	1.8
456.16946	2.1
459.21341	8.2
459.26440	6.2
460.23215	34.9
467.51532	2.2
471.22098	8.1
472.22742	30.6
474.20395	25.8
475.20721	42.2
476.22305	2.8
487.25076	57.6
489.22821	3.3
498.21231	2.9
502.20099	37.2
503.24207	2.9
504.25854	2.5
513.22845	3.9
517.23431	2.0
519.27118	9.2
531.24115	80.1
534.23047	10.3
545.25867	4.1
547.23053	7.9
548.24219	8.7
563.26819	22.0
575.23047	15.7
607.25726	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	607.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65436	0.7
57.03452	82.0
58.26888	0.8
59.01382	100.0
63.98646	0.8
66.07637	0.8
71.01378	1.8
73.02939	0.9
81.03467	1.2
81.47883	0.8
87.04507	21.8
88.23367	0.8
99.04511	93.6
101.02436	15.5
105.82707	0.8
125.02440	39.0
143.03517	4.1
161.04597	1.3
419.22952	5.7
445.31604	1.0
461.23532	1.3
463.32813	4.2
501.26437	1.1
520.01105	1.2
563.26886	7.2
607.38293	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	607.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36148	1.3
57.03451	66.2
59.01384	100.0
59.01685	3.2
64.85007	1.3
71.01371	2.4
73.02967	1.7
85.02935	1.8
87.04516	13.9
94.17207	1.4
99.04511	77.6
99.05158	3.1
101.02415	14.2
113.02421	2.0
124.32469	1.3
125.02426	42.5
143.03444	2.0
355.57297	1.8
419.22809	2.3
463.32834	3.5
547.36597	7.9
563.27075	8.9
607.37952	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	607.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	42.8
61.62722	1.4
71.01382	17.7
73.02950	7.4
83.01350	1.6
85.02950	3.6
89.02436	14.9
91.76774	1.4
99.00877	2.2
99.04499	12.7
99.52868	1.6
101.02444	23.7
102.44177	1.4
109.06594	1.5
113.02439	12.5
119.03497	1.9
122.14803	1.4
151.04033	8.7
152.04298	2.0
161.04585	6.3
189.12894	11.9
193.07175	21.3
201.91156	1.4
207.13918	17.4
233.11845	1.8
251.12984	6.2
267.11536	2.2
283.02515	8.0
298.04852	7.2
299.05618	1.7
324.09897	1.8
359.14059	2.4
381.04425	1.5
427.19745	46.5
503.32458	2.7
551.38110	1.6
607.17853	5.2
607.26129	100.0
616.19165	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	607.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.1
59.09133	0.3
72.00903	4.6
74.02458	5.4
79.68123	0.3
89.02431	0.8
101.02451	0.6
106.57246	0.3
113.02421	0.6
116.05051	21.6
116.62059	0.3
119.05042	0.5
129.01953	0.6
142.06619	5.9
159.09273	9.1
163.03992	2.8
186.05577	1.7
195.05115	2.2
201.75218	0.4
203.08275	100.0
233.05493	0.3
283.03006	0.3
341.08859	1.6
366.03342	0.4
403.19815	3.9
607.18524	1.3
607.28705	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	607.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77156	0.8
50.94379	0.8
57.03452	12.8
58.89336	0.8
59.01383	18.6
61.98828	2.0
62.14274	0.7
63.62927	0.8
64.28960	0.7
71.01372	7.7
73.02933	1.7
73.23721	0.8
85.02968	2.1
87.00878	0.8
89.02437	1.8
99.04517	6.7
101.02440	9.6
101.31199	1.1
113.02441	4.9
125.02429	5.8
127.23526	1.0
139.50792	0.9
157.08708	1.2
176.28197	0.8
194.60939	1.1
255.02927	5.3
256.01291	0.9
283.02484	65.7
283.19135	1.4
284.03287	3.3
298.04865	67.9
299.05762	7.3
301.20160	25.1
301.23380	1.6
343.21335	1.1
364.63214	1.0
445.24374	22.1
445.29901	1.1
446.52768	0.9
463.25485	100.0
465.76190	0.9
503.32303	3.6
505.26682	16.4
545.29846	1.1
563.34650	3.4
607.16797	61.6
607.29895	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	607.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	5.6
59.01385	63.2
59.01681	2.0
71.01383	17.7
71.22931	1.3
71.37617	1.3
73.02941	6.3
83.01389	7.7
85.02937	12.4
86.22988	1.2
87.00879	2.0
91.96799	1.5
93.07058	1.6
95.01364	2.1
99.00880	2.6
101.02438	19.3
111.00877	2.1
113.02445	10.7
124.90432	1.6
125.02363	1.9
155.10814	1.9
161.04593	2.1
201.15001	6.6
213.84930	1.4
216.64543	1.5
229.18056	9.8
283.02530	16.8
298.04843	17.3
359.28085	9.2
463.25507	14.1
475.65158	1.6
503.32339	100.0
505.26447	1.6
519.64941	1.6
521.33398	17.3
532.19995	1.5
547.34601	1.8
563.34454	46.5
607.16943	12.4
607.30646	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	607.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30263	2.6
57.03453	3.3
59.01382	75.2
71.01381	22.8
73.02958	5.4
83.01385	5.5
85.02948	24.8
93.07086	7.0
98.02444	3.8
101.02442	29.3
113.02438	21.8
129.01898	3.4
143.03462	3.2
156.47166	3.2
185.50911	3.1
200.77374	3.3
205.03528	3.1
224.59871	3.6
227.08275	6.5
229.18105	30.6
359.28061	4.9
463.25543	19.2
503.32254	100.0
521.33344	27.4
563.34326	68.9
607.30029	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	607.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51743	51.3
65.24330	56.0
77.75274	53.7
78.46783	59.6
80.78864	50.9
83.86501	60.0
94.28137	66.3
99.18111	60.5
109.53504	59.3
148.09698	57.3
295.22897	81.5
333.09778	65.1
446.19540	66.9
607.45789	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	100.0
59.01384	83.5
61.51072	1.1
66.69189	1.2
70.82539	1.2
71.01378	16.0
73.02946	9.2
73.20377	1.1
83.01371	5.0
83.33150	1.2
85.02934	12.9
89.02458	3.2
91.48159	1.2
99.00893	2.3
99.04513	94.5
101.02435	31.9
113.02439	10.4
125.02439	54.4
143.03503	7.1
161.04581	2.2
163.04073	2.6
183.82404	1.2
195.78278	1.4
301.27408	2.0
419.26715	2.2
445.31827	23.1
457.28351	1.5
463.32932	47.1
487.32553	2.4
505.34006	16.6
547.34357	2.0
563.30865	5.4
607.30048	3.7
607.37268	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	607.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67833	0.5
54.84936	0.6
57.03451	1.6
58.64377	0.5
59.01382	100.0
61.98834	0.8
63.67664	0.5
79.52503	0.6
90.41997	0.6
99.04524	1.4
111.50849	0.6
118.84181	0.5
125.02457	1.2
130.54004	0.6
132.13097	0.8
146.12396	0.6
158.49722	0.7
219.46260	0.6
467.31754	3.4
529.35217	2.7
547.36475	61.5
575.36139	0.8
607.38696	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	607.3877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57473	0.9
57.03448	25.8
58.87243	0.8
59.01381	100.0
71.01376	6.4
73.02939	4.7
73.89226	0.9
75.12772	0.8
85.02955	4.4
89.02440	2.0
99.04510	32.7
101.02437	11.8
101.95650	1.1
113.02453	6.0
117.49029	1.1
119.04987	8.9
125.02435	13.0
145.02928	4.1
161.04515	1.4
163.04010	16.7
164.04404	1.2
305.52795	1.1
419.26395	1.3
445.31693	1.5
463.32773	2.5
505.33340	1.7
547.36487	7.1
563.30719	2.0
569.25812	9.8
571.26892	1.5
607.37793	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	607.4198
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04116	1.0
59.01385	1.6
69.97779	1.1
71.01379	1.4
74.87966	1.0
78.83086	1.3
80.59309	1.1
93.03433	1.4
103.41614	1.2
112.07654	7.2
129.10291	2.0
130.08730	8.6
134.03714	2.5
137.02449	4.8
141.91223	1.2
149.06015	1.6
161.05949	1.5
165.05632	1.8
175.03935	2.3
175.07646	5.6
178.02679	1.4
178.06343	1.6
193.05026	6.2
207.15036	2.1
224.17780	1.6
225.16162	16.3
233.21358	1.2
277.95560	1.4
281.65338	1.1
282.44019	1.3
314.11581	1.3
320.23434	1.3
329.14026	12.2
338.24387	1.9
359.15054	9.5
450.34286	1.8
505.06284	1.2
534.75824	1.2
546.40332	9.2
564.41357	100.0
587.41956	1.4
607.17883	2.6
607.42041	21.8
608.91840	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	609.147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25247	0.4
59.01373	0.5
68.80119	0.3
72.99317	0.6
78.36575	0.4
102.66456	0.4
104.05664	0.4
117.03504	0.5
123.00883	3.1
124.01665	10.0
125.02431	10.2
134.03731	6.2
149.06070	1.6
149.99576	22.4
151.00331	0.5
160.01688	0.5
166.99879	0.6
167.03539	0.7
168.00633	100.0
169.01413	4.9
175.03990	1.0
178.02657	0.8
179.03593	0.6
193.05058	7.0
239.05557	0.6
276.83490	0.4
301.05795	2.3
433.09973	1.9
609.14697	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	609.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67266	0.6
53.43119	0.6
58.19900	0.8
59.01384	7.3
73.02940	0.8
93.03435	1.6
96.95979	1.9
101.40482	0.8
104.41983	0.9
130.60051	0.8
131.07118	10.3
137.02414	6.7
151.00349	5.1
165.05597	0.8
173.08131	4.8
180.04219	1.1
195.06651	1.5
227.03473	10.2
255.03024	31.0
256.03827	5.6
257.04556	1.4
271.02438	1.0
283.02493	1.6
284.03281	100.0
285.04016	19.4
300.02667	7.9
303.37701	1.0
331.99216	0.8
391.16208	1.6
394.03662	0.9
394.49609	0.8
609.14587	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	609.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	4.1
66.59132	0.6
69.64674	0.6
69.73915	0.7
89.02433	0.9
95.92699	0.7
101.02416	1.3
113.02498	1.0
131.07126	1.4
137.02444	5.0
151.00351	4.4
152.69768	0.6
169.01288	0.7
195.06625	0.7
207.12276	0.7
223.53702	0.8
227.03493	10.7
232.94121	0.7
255.02985	30.3
255.65529	0.8
256.03821	3.4
257.04538	1.3
257.95584	0.7
283.02527	1.1
284.03284	100.0
285.04044	18.7
323.23160	0.7
357.13181	0.9
378.72906	0.8
452.23273	0.8
549.26068	1.0
609.14667	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	609.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24480	0.4
59.01402	1.0
71.01385	0.6
74.12183	0.5
77.35286	0.4
86.71397	0.4
99.00905	0.5
113.02493	0.7
151.00351	0.5
162.05598	1.0
164.07137	0.5
165.05618	0.6
175.03964	0.8
193.05154	0.7
193.32350	0.5
205.06152	0.6
224.38420	0.5
255.03017	13.7
283.02490	100.0
284.03192	8.4
285.04077	6.4
327.04669	0.5
409.17346	0.5
440.29169	0.6
446.08609	10.9
447.09274	2.7
609.14587	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	609.1585
Annotation	Okanin 4-methyl ether 4'-O-(6''-O-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
52.02905	0.4
62.49128	0.5
74.70538	0.5
78.95903	15.2
94.81785	0.5
96.96960	2.7
105.71592	0.5
107.03619	1.3
134.04724	100.0
147.00955	0.6
149.54691	0.5
151.44612	0.6
155.12602	0.6
197.04514	2.7
211.57106	0.7
225.01756	0.9
346.05685	0.8
447.11703	1.0
609.15894	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	609.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.5
60.09412	0.4
62.67050	0.4
71.01369	3.7
72.39450	0.5
73.02943	0.8
76.87824	0.5
85.02943	0.8
89.02444	0.4
92.22513	0.6
101.02428	1.6
110.77869	0.5
113.02441	3.3
114.70182	0.4
117.03487	4.5
119.04994	0.6
123.00873	1.9
124.01625	3.2
134.03738	75.8
137.02429	0.5
138.03235	1.0
139.04010	6.3
142.67867	0.5
142.93260	0.4
145.02812	0.6
149.06075	13.3
150.03204	2.8
152.01204	0.6
160.01686	4.6
161.04544	0.9
163.03996	1.9
165.05537	3.9
167.03500	0.6
168.00650	1.8
175.03987	10.6
178.02740	7.2
193.05063	100.0
194.25732	0.4
195.06650	0.9
197.37321	0.5
244.76057	0.5
285.04181	0.8
301.09283	0.6
312.57285	0.5
415.12408	2.9
609.18323	27.4
609.33411	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48835	0.8
59.01382	4.2
72.99339	0.8
85.02924	1.4
91.90401	0.9
95.31233	1.1
101.02414	1.4
113.02468	1.1
117.03445	3.9
123.00906	4.3
124.01672	2.2
134.03734	75.7
137.02463	1.0
138.03224	4.8
139.04005	4.8
140.11522	0.8
149.06075	14.6
150.03285	1.7
160.01682	7.1
165.05547	5.2
175.04007	16.5
178.02696	9.5
181.22668	1.0
193.05057	100.0
195.06668	1.2
300.02847	1.6
310.06439	1.2
314.03986	1.2
329.14417	1.0
340.22412	1.1
351.40741	0.9
415.12244	1.4
441.89243	1.1
566.41766	3.7
609.18378	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	609.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31350	1.3
55.35256	1.2
59.01103	1.8
59.01382	36.5
65.49752	1.2
70.08187	1.1
71.01370	12.5
72.13003	1.2
73.02945	18.6
74.88155	1.3
79.91270	1.3
83.01386	2.2
85.02945	3.1
85.61316	1.3
89.02436	3.1
95.72456	1.5
96.96005	2.3
101.02434	13.1
113.02413	3.2
119.05013	35.4
120.05277	1.4
122.03719	1.9
124.01599	1.4
134.03772	12.1
137.02437	1.6
145.02965	16.7
149.02448	13.9
149.06039	2.0
150.03221	56.1
153.01976	5.0
161.04575	3.2
162.03284	1.9
163.02640	2.7
163.04007	59.7
164.04767	17.8
165.05566	100.0
165.06966	3.2
168.04279	5.7
175.04036	2.8
180.04260	7.4
193.05028	15.0
194.05733	1.4
195.06648	25.8
209.08203	3.0
221.06824	1.8
285.04166	5.4
285.75620	1.4
342.11127	5.6
357.13428	30.8
405.15399	3.1
501.17838	1.9
548.83447	1.4
549.19720	2.1
561.20044	3.1
567.20740	2.5
609.21094	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	609.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57954	0.8
51.89403	0.8
67.01886	1.5
71.01376	1.0
71.48161	0.8
82.31222	0.9
85.02953	1.0
87.00867	6.6
93.03448	25.8
111.04511	5.3
129.09207	4.9
134.03719	5.0
137.02428	2.0
140.68996	1.3
143.07106	1.7
157.08661	2.2
173.04529	29.4
187.21635	1.0
191.05617	100.0
193.05000	8.9
197.12935	11.9
208.05780	1.0
219.08757	5.6
241.11971	13.6
256.73795	0.9
310.69824	1.0
367.10367	69.8
575.20691	1.1
609.17786	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	609.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91875	1.0
57.03449	10.5
59.01379	23.6
60.59483	1.1
63.48517	1.1
71.01378	14.8
72.99290	1.6
73.02939	5.7
75.00861	9.4
77.78884	1.2
83.01377	1.6
84.95043	1.4
85.02932	12.1
87.00867	6.4
89.02441	10.7
99.00873	7.9
99.04506	9.2
101.02421	6.4
103.00397	2.6
113.02441	27.7
125.02406	6.0
129.01929	1.9
131.03545	1.7
133.46408	1.2
137.71930	1.1
149.04536	7.6
165.12849	19.0
183.13901	81.9
207.05170	1.9
209.11740	2.0
227.12823	5.5
249.06122	5.4
267.07239	20.3
267.11432	1.2
268.11728	1.9
361.22598	1.4
421.24261	1.8
465.27115	5.3
477.19754	26.3
505.26669	1.4
505.33676	1.9
549.29706	4.7
565.28119	1.6
565.36206	1.7
609.24054	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	609.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81780	0.7
51.53711	0.6
53.56064	0.7
56.06930	0.8
56.81390	0.7
57.03449	9.2
59.01104	1.2
59.01382	28.1
62.92313	0.8
64.53272	0.7
69.32101	0.7
70.08738	0.8
71.01389	13.3
71.72749	0.7
72.99290	3.3
73.02930	4.6
75.00861	10.2
76.89816	0.8
83.01364	1.1
85.02944	13.0
87.00875	7.5
89.02425	6.0
95.01358	4.8
99.00861	7.2
99.04507	7.2
100.35063	0.8
101.02439	6.2
103.00359	1.7
111.08215	0.9
113.02447	26.7
117.01899	1.9
125.02409	4.4
129.01883	1.3
131.03464	1.4
137.69917	0.9
140.16739	0.8
141.03017	0.8
149.04559	7.4
150.16737	0.9
161.04572	1.6
165.12854	28.4
175.02455	1.0
179.05261	0.8
183.13910	98.8
209.11752	4.8
215.43155	0.8
227.12881	7.4
231.05083	1.5
249.06129	12.2
255.28975	1.1
267.07211	18.3
301.16614	1.0
303.07388	1.0
303.21786	6.8
315.25034	0.9
361.29504	4.6
415.19635	0.9
447.25778	1.2
459.18860	1.0
465.26895	10.4
477.19806	31.1
477.30920	1.0
505.33994	12.2
507.28528	1.2
523.34888	4.2
549.29175	1.3
565.28064	1.5
565.35889	13.3
609.23895	100.0
609.31158	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	609.259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.6
65.84048	0.6
68.18483	0.5
74.81393	0.5
99.00871	0.8
99.92578	4.6
114.48909	0.6
116.92851	100.0
117.42961	0.5
139.65442	0.7
151.27307	0.5
255.23138	1.2
549.23743	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	609.259
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90833	0.8
61.98830	1.1
71.01385	4.9
73.02939	1.2
76.13691	0.9
78.98592	3.9
79.95733	6.2
80.96513	40.8
85.02943	1.9
87.00874	1.1
94.98058	13.1
97.02970	1.6
101.02451	2.4
106.98094	1.5
107.84402	1.1
109.41121	1.0
122.97564	4.8
125.02422	4.9
134.61426	1.0
134.97591	2.2
148.99121	7.0
152.98593	8.9
164.98645	15.8
180.47687	1.0
182.99721	2.0
206.99718	4.8
225.00742	35.9
225.14934	1.7
243.01895	3.1
291.19641	1.4
292.83353	1.4
299.04297	7.7
563.21893	13.9
609.25940	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	609.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61372	1.0
59.01382	100.0
63.71781	1.3
70.71230	1.3
71.01381	50.3
72.99298	1.2
73.02946	1.6
83.01378	1.5
85.02935	8.8
87.00885	1.5
89.02439	76.2
95.01379	1.4
101.02438	30.9
113.02447	27.1
113.06105	1.3
119.03493	20.3
119.86509	1.2
119.87530	1.3
129.53360	1.2
131.03490	1.4
131.07176	2.0
136.07681	2.4
143.03499	2.6
161.04558	8.6
179.05615	38.7
180.06688	11.4
181.06958	5.6
222.07715	2.8
223.08127	2.2
239.51611	1.3
240.08812	7.7
241.09064	2.2
396.60092	1.5
459.25970	1.5
549.25598	79.7
572.87958	1.5
609.23376	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	609.277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76338	0.4
58.00594	0.6
59.01383	50.7
60.13455	0.4
71.01380	23.0
71.01779	0.7
73.02945	1.8
83.01382	0.8
85.02935	3.8
87.00873	0.5
89.02438	29.8
92.25147	0.4
92.98563	0.4
95.01375	1.8
97.02937	0.4
99.00838	0.6
101.02441	18.5
104.71525	0.5
105.51994	0.4
113.02442	13.0
119.02689	0.6
119.03503	9.9
120.04570	0.5
131.03464	0.7
136.14421	0.5
137.09743	0.5
153.09103	0.5
161.04529	0.9
179.05621	1.0
204.02321	0.5
427.69907	0.5
510.32358	0.5
549.25610	100.0
551.42511	0.5
609.28943	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	609.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30469	0.9
55.33728	1.1
59.01102	1.8
59.01382	49.0
66.08228	1.2
71.01378	25.0
73.02943	1.3
74.16637	1.0
85.02937	7.8
89.02434	37.0
95.01420	1.5
99.00877	16.8
101.02444	18.1
105.40313	1.1
112.83041	1.3
113.02437	22.0
119.03477	12.5
128.90012	1.3
131.03499	2.4
137.24362	1.3
161.04536	2.5
179.05591	5.8
191.05562	1.8
311.09702	2.0
350.67255	1.6
353.10895	2.7
405.65063	1.3
609.27679	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	609.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69808	1.4
59.01380	11.2
71.01376	9.1
72.99302	2.8
75.00867	13.8
77.32755	1.9
85.02958	19.2
87.00870	2.9
89.02415	6.8
95.01395	2.9
99.00876	8.1
113.02439	25.6
117.01928	1.7
120.74718	1.8
120.87287	1.8
129.01917	1.9
204.66562	1.8
249.06180	8.0
277.21729	72.4
516.30914	2.1
527.28662	100.0
549.26837	9.5
609.28363	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	609.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57281	0.8
59.01389	6.7
71.01373	5.2
74.43813	0.8
78.76536	0.9
79.95756	1.2
85.54449	0.9
89.01940	0.8
89.02451	5.9
97.19907	1.0
101.02403	1.3
101.73091	0.9
112.01671	1.0
113.02428	2.1
247.20682	1.7
265.21796	5.9
291.19775	2.1
309.20721	16.0
327.21820	26.1
345.22900	18.9
369.22733	1.3
388.58646	1.1
441.25040	1.3
459.26013	8.4
465.27420	1.2
477.27106	30.2
591.30457	1.4
609.31470	100.0
636.35651	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	4.5
59.01104	2.9
59.01385	58.8
59.87400	1.6
59.89056	1.8
60.45957	1.8
71.01389	15.3
73.02943	4.3
82.06926	1.8
83.01383	4.0
85.02945	24.4
89.02430	3.3
97.02989	2.2
99.00848	2.6
101.02438	18.8
111.00918	3.0
113.02447	11.3
125.02372	3.4
129.01932	4.0
131.94733	1.8
143.10864	2.3
171.13934	2.8
201.14969	4.7
217.14433	2.3
232.62732	2.1
352.60944	2.2
359.28064	7.7
361.29608	14.0
505.33850	100.0
511.37140	2.5
523.34961	14.2
565.36005	60.4
609.27521	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	609.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	4.5
59.01104	2.9
59.01385	58.8
59.87400	1.6
59.89056	1.8
60.45957	1.8
71.01389	15.3
73.02943	4.3
82.06926	1.8
83.01383	4.0
85.02945	24.4
89.02430	3.3
97.02989	2.2
99.00848	2.6
101.02438	18.8
111.00918	3.0
113.02447	11.3
125.02372	3.4
129.01932	4.0
131.94733	1.8
143.10864	2.3
171.13934	2.8
201.14969	4.7
217.14433	2.3
232.62732	2.1
352.60944	2.2
359.28064	7.7
361.29608	14.0
505.33850	100.0
511.37140	2.5
523.34961	14.2
565.36005	60.4
609.27521	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	609.357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22143	17.3
54.09137	15.5
59.01365	16.9
63.99038	14.9
77.31546	15.9
83.45290	15.0
99.00874	17.0
102.57509	18.9
110.29668	16.0
113.02406	19.6
152.04790	21.0
173.22398	16.9
199.53575	16.8
277.21738	92.2
300.67398	18.3
515.36420	20.2
527.28662	100.0
542.48553	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	609.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.4
71.32482	0.5
78.95924	0.6
85.00288	0.6
88.05850	0.6
95.04990	0.6
121.10214	16.9
127.11270	0.6
141.12802	0.6
158.23518	0.5
162.43416	0.7
171.10265	38.4
177.16576	0.8
183.13927	2.2
185.11853	2.1
189.45241	0.6
207.10059	1.3
231.21196	3.9
232.90718	0.6
246.12378	0.9
275.20184	41.3
278.11374	4.6
293.21262	19.4
297.18372	0.9
303.32706	0.5
313.17932	0.7
315.19382	11.0
337.87949	0.6
387.15579	0.6
432.79681	0.7
609.41400	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79123	10.7
99.61904	10.9
176.43422	11.7
178.93904	13.6
181.32060	15.8
204.78616	12.8
218.15518	11.8
262.64044	13.2
293.21341	100.0
315.19476	25.6
419.80865	12.4
553.53174	12.0
609.41479	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	609.5109
Annotation	Unknow
Peak:m/z	Relative Intensity
64.21537	3.9
116.66148	3.6
131.47165	3.4
141.37837	3.6
279.23282	100.0
609.41278	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	609.5107
Annotation	Unknow
Peak:m/z	Relative Intensity
63.35491	1.8
72.10120	2.0
82.78837	1.9
115.30985	1.8
149.09769	2.4
180.82224	2.0
192.97380	2.5
230.67781	2.1
253.21741	100.0
279.23227	2.6
606.31305	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	610.4445
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32636	0.9
59.01368	1.0
61.98836	1.0
73.15994	0.9
79.85755	0.9
83.06075	1.0
99.04443	1.1
111.08182	2.3
125.09724	6.4
167.14400	28.3
172.09813	2.5
181.15953	2.1
186.11349	4.0
198.35201	1.0
210.15002	1.6
211.13394	48.5
225.14908	1.8
228.16032	49.7
229.14406	19.3
242.17627	2.6
248.80728	1.1
254.82109	0.9
364.24942	4.2
367.25952	1.3
381.22916	2.1
381.27618	29.5
397.84183	1.3
437.33499	1.3
610.44434	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71629	0.7
50.96380	0.5
54.57238	0.5
59.01371	1.6
66.05288	0.6
71.01382	2.9
89.02383	0.8
91.62125	0.6
92.77192	0.6
93.03454	7.9
101.02410	2.7
108.02164	6.9
108.35120	0.6
113.02429	3.5
123.04517	11.5
136.01639	2.6
136.93799	0.7
137.02440	63.9
151.03989	1.3
152.01149	24.4
166.02681	1.4
167.03487	100.0
179.03500	1.2
181.05013	0.8
194.02179	0.9
209.04546	4.5
221.04558	1.1
280.52005	0.8
281.06671	39.1
281.09778	1.5
312.71194	0.7
377.26636	0.8
387.48056	0.7
449.10931	62.6
491.12201	3.4
499.92191	0.8
611.16174	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	611.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36083	0.5
59.01380	28.7
59.01682	1.0
71.01379	15.6
72.99290	0.6
85.02940	1.5
87.24112	0.6
89.02439	21.9
90.05126	0.6
94.96246	0.6
99.00855	0.8
99.04509	15.9
101.02434	11.5
113.02422	8.5
119.03515	5.5
121.11250	0.6
140.26895	0.7
143.31267	0.7
177.74925	0.8
189.12900	4.7
207.13902	43.3
251.12888	32.4
251.14890	0.8
273.28235	0.8
298.41956	0.8
413.54956	0.7
431.19238	18.4
611.25641	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	611.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	12.6
59.01134	0.7
59.01379	9.9
62.07016	0.7
71.01379	11.1
73.02919	3.7
75.00853	1.4
83.01376	1.1
85.02929	4.0
87.00850	1.6
89.02428	3.1
96.94279	0.8
99.00858	1.2
99.04507	1.8
101.02435	10.8
113.02420	5.7
124.01588	1.0
125.02394	3.5
133.02127	0.8
173.11824	29.7
187.13446	1.5
215.12866	1.1
272.99277	0.8
299.18588	0.9
317.16071	43.6
335.17157	100.0
377.18253	5.5
463.25293	3.9
467.21271	8.9
479.20944	1.2
509.22238	1.7
550.73187	1.0
611.25513	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	611.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06077	0.7
57.03469	0.8
59.01384	11.7
61.98826	3.8
71.01382	7.5
78.95927	0.9
87.00863	1.7
89.02449	8.5
97.02907	1.1
101.02446	7.1
113.02415	3.6
118.58456	0.9
119.03519	1.1
125.02457	1.5
137.02370	1.1
151.11290	16.7
157.95280	1.2
161.04562	1.1
169.12343	100.0
213.11333	17.8
422.89154	0.9
530.57294	0.9
610.02716	1.0
611.25659	95.9
614.71301	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11357	0.7
56.58655	0.7
61.98806	0.8
71.01373	1.6
73.02932	0.8
78.98588	3.2
79.95724	2.9
80.96052	1.4
80.96511	35.8
85.02964	1.4
86.00264	1.0
87.00852	1.7
94.98082	11.4
97.02944	0.9
100.38416	0.7
101.02423	2.8
103.37942	0.7
104.26934	0.7
106.98075	1.5
122.97578	3.6
125.02408	4.0
134.97552	3.6
148.99091	7.1
152.98582	8.2
164.98616	15.8
182.99747	2.9
192.48227	0.8
206.99661	4.4
225.00754	34.3
243.01703	1.5
299.04416	5.4
311.22403	0.9
313.93591	0.9
333.77930	0.9
611.27454	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.3
59.65678	0.3
62.23631	0.3
64.66209	0.3
66.52580	0.3
71.01363	0.5
73.02947	0.3
85.02964	0.5
89.56679	0.4
95.58851	0.4
101.02429	0.6
107.43393	0.3
109.06597	2.5
113.02425	0.6
113.75711	0.4
121.02966	2.9
127.07643	100.0
132.58301	0.4
171.06625	54.0
187.25822	0.4
206.05244	0.4
209.02295	0.8
209.04539	1.9
229.10805	0.6
249.20679	0.4
329.97275	0.4
611.20850	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.417
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53396	1.3
53.87352	1.0
59.01381	100.0
66.75748	1.4
68.57548	1.1
70.23733	1.2
71.65975	1.2
93.24828	1.5
158.22330	2.2
215.87833	1.5
277.21613	10.1
537.42664	1.7
592.00836	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	612.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	0.3
62.81385	0.2
78.55840	0.2
80.06142	0.2
83.48561	0.2
98.89101	0.2
99.92594	3.2
116.92852	100.0
117.01936	1.0
128.64442	0.2
151.36127	0.2
228.17227	0.3
255.23398	0.2
289.14682	0.2
474.51138	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1783
Annotation	Leiocarposide
Peak:m/z	Relative Intensity
52.49253	0.9
52.56913	0.8
54.40067	0.8
56.93602	0.8
57.03452	60.3
59.01377	10.1
71.01381	1.8
71.05019	19.3
73.02938	6.5
76.21352	1.0
81.03448	1.1
93.55241	1.0
99.00887	0.9
99.04515	57.8
99.05170	2.0
101.02443	14.2
105.03472	1.5
106.50734	1.0
121.02948	13.2
125.01527	1.9
125.02433	41.8
134.03749	26.0
143.03545	1.9
147.00850	4.6
149.09711	4.2
161.02437	21.4
161.04517	1.6
165.12733	1.6
166.27708	1.0
177.09209	8.6
189.01935	4.1
221.08202	100.0
227.12711	1.4
347.09845	4.3
536.50513	1.3
546.53528	1.1
569.18970	2.0
613.32397	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	613.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83526	2.5
57.03192	4.5
57.03452	72.7
59.01384	33.3
61.98649	2.5
65.51208	2.4
71.01376	18.7
72.99285	2.6
73.02938	7.1
75.00877	2.8
85.02949	5.9
89.02421	3.2
97.63865	2.6
99.04519	100.0
101.02430	22.0
113.02425	4.4
119.05020	3.3
125.02454	67.6
128.62514	2.5
129.70230	2.6
131.66745	2.4
143.03511	3.2
150.03215	3.9
151.03960	5.0
163.03905	3.1
170.57611	3.1
175.04004	11.2
193.05060	3.5
232.03934	2.9
358.19528	3.2
425.15942	37.5
467.17123	14.2
525.20654	5.7
569.19971	21.9
613.19073	15.3
613.27350	8.7
640.46704	3.6
642.58197	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	613.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35100	0.4
57.03450	0.8
59.01376	2.3
60.12210	0.4
67.37725	0.4
79.95758	0.9
82.49896	0.4
94.98083	2.3
96.96004	100.0
99.04527	0.9
99.18772	0.4
125.02429	0.6
375.03006	0.5
406.10666	0.5
441.85388	0.5
515.25049	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	613.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
64.13770	1.6
78.15819	1.5
96.95999	7.6
98.02456	3.6
98.08588	2.2
98.95591	3.2
99.00875	8.7
99.02022	6.3
99.92584	22.0
100.90506	1.9
100.93356	31.5
112.34718	1.6
115.92063	100.0
116.92854	62.1
132.92323	1.9
156.95984	2.7
169.93068	1.8
277.21744	7.9
298.98560	2.3
342.21637	1.7
343.96133	1.7
361.14648	2.6
504.18365	1.9
526.14795	2.1
531.60431	1.8
577.21191	18.0
595.22296	10.5
613.23444	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	613.251
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22216	0.9
51.65538	0.9
53.76123	0.8
57.03443	5.2
59.01103	1.6
59.01384	35.8
71.01379	13.2
73.02941	8.6
83.01359	1.7
85.02945	7.1
89.02431	8.8
94.94476	1.2
95.01372	1.7
96.14079	1.2
99.00918	1.4
99.04528	4.1
101.02442	18.6
113.02444	11.1
119.03469	2.3
125.02442	2.6
138.45468	1.0
153.40683	1.0
161.04570	1.6
179.10004	1.1
275.20132	1.6
303.19858	2.1
337.52655	1.1
347.18524	1.3
374.21060	1.2
394.22641	1.1
425.15970	1.5
434.77542	1.2
509.23865	3.9
527.24890	4.0
569.26129	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	613.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	25.6
65.87007	1.2
71.01392	21.9
72.00904	7.3
73.02942	6.6
74.02464	7.2
85.02941	1.5
89.02438	74.8
94.77074	1.4
99.00867	12.1
101.02420	17.8
104.86245	1.3
113.02436	8.0
116.05045	25.8
126.87150	1.4
130.06639	1.4
131.03476	7.5
142.06570	5.7
145.16534	1.5
149.04549	22.4
150.03198	12.4
159.09239	11.3
161.04518	3.1
163.03990	2.3
165.05550	41.7
180.04207	1.7
186.05786	1.8
191.05637	8.0
195.06651	6.8
196.48949	1.3
202.86263	1.8
203.08282	100.0
221.06639	2.4
224.70267	1.6
251.07660	2.4
256.11081	1.4
286.37891	1.3
311.09863	3.0
341.08963	1.4
342.55261	1.8
409.17273	94.1
451.15790	2.1
551.99207	1.5
571.99512	1.6
613.27209	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	613.272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19536	0.6
57.03452	23.6
59.01104	1.5
59.01383	27.1
59.01682	1.1
71.01008	1.4
71.01376	28.2
73.02947	10.3
73.83036	0.6
75.00877	0.7
81.03460	0.9
83.01379	3.7
85.02954	11.2
87.00855	1.7
89.02433	10.5
95.01375	2.9
97.02889	1.1
99.00873	4.2
99.04509	16.6
101.02438	38.7
111.00873	3.3
113.02436	23.2
119.03473	4.3
125.02425	14.8
129.01958	1.4
133.06920	27.3
143.03502	4.4
159.02930	4.9
161.04544	11.9
162.86188	0.7
171.10249	9.7
175.86401	0.9
192.12643	0.8
193.36369	0.7
207.01126	1.0
220.88266	0.8
225.11293	0.9
229.26344	0.8
262.11176	11.5
275.38620	0.8
289.16504	1.0
293.16580	0.8
307.17725	10.6
439.39151	0.9
451.21866	15.8
469.22913	58.9
511.24045	12.4
613.27216	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	613.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99898	0.5
56.92251	0.6
57.03442	2.7
59.01379	9.5
62.78768	0.6
63.51890	0.6
71.01382	4.9
73.02946	0.7
82.33837	0.7
88.98811	0.8
89.02441	1.5
89.53451	0.6
95.06345	0.6
97.46530	0.7
97.81966	0.7
99.04493	3.2
101.02442	4.4
111.08116	1.0
113.02477	1.6
120.83507	0.7
125.02418	1.4
130.36122	0.7
140.10924	0.7
140.29146	0.7
165.12842	18.9
183.13904	64.8
197.15485	32.4
207.13948	5.5
209.11856	7.8
225.14987	8.2
227.12915	40.2
251.12914	1.3
269.13959	6.5
342.12405	0.7
347.74341	0.7
525.33765	0.7
613.32391	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	613.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84880	1.7
56.99235	1.4
57.03456	19.3
59.01382	57.1
71.05024	3.4
90.58299	1.7
99.04510	18.0
101.02422	2.6
103.07348	1.8
103.14576	1.7
109.61459	2.4
118.47110	1.7
121.02895	3.3
125.02474	14.2
134.03712	3.9
161.02406	8.8
162.94145	1.7
165.12859	3.7
177.09137	2.4
209.11838	100.0
221.08180	27.5
266.39908	1.8
277.18042	1.8
329.23129	3.0
613.25330	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	613.4454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44073	0.6
58.31481	0.6
59.01366	0.8
60.14375	0.7
68.91666	0.7
96.67893	0.7
151.11295	0.9
171.10258	41.5
249.22194	0.8
259.20468	0.8
277.21725	64.3
295.19492	1.5
295.22812	44.9
317.20981	22.4
340.77411	0.8
457.20035	0.7
461.25723	0.9
613.44531	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	615.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.6
58.02978	2.6
59.01376	1.7
59.53879	0.9
70.02974	7.7
71.01382	1.9
73.02925	1.7
74.02470	30.7
75.00865	8.1
76.67547	1.1
78.44801	0.9
81.03450	1.2
88.37529	1.1
98.02477	6.5
99.00862	6.8
99.04513	6.8
101.02438	1.0
116.03531	15.6
116.05059	6.9
119.05015	27.2
125.02410	1.4
128.50633	1.1
128.91238	1.1
143.03506	9.3
159.09218	1.3
161.04582	9.7
163.04015	65.9
179.05624	61.6
201.10364	6.1
203.08284	57.4
245.09320	100.0
281.13864	1.1
289.08350	2.4
311.71744	1.1
325.09329	68.8
534.25757	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	615.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15122	0.9
57.03452	53.3
59.01381	93.8
59.01681	3.0
71.01374	8.0
73.02933	6.8
86.82150	1.1
89.02414	1.8
90.46218	1.1
91.74438	1.1
95.60992	1.3
99.04510	100.0
101.02420	18.3
110.54210	1.1
113.02442	7.3
123.21736	1.1
125.02430	51.0
143.03476	6.6
150.59424	1.1
151.07578	1.3
152.08403	11.7
153.09206	14.4
153.16628	1.3
161.04497	1.7
205.12321	11.0
266.09537	1.2
351.07800	1.3
367.17477	9.3
383.92493	1.4
409.18610	11.9
427.19769	29.6
427.55243	1.4
433.12021	1.4
469.20847	26.9
509.23895	1.9
527.24823	15.5
571.24017	44.4
602.86011	1.2
608.62665	1.3
615.23071	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	615.23
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85534	1.5
57.03194	3.2
57.03450	57.6
59.01384	90.6
71.01370	3.9
73.02946	9.6
99.04511	100.0
101.02457	14.6
103.21427	2.1
113.02429	4.4
125.02440	61.9
136.35046	1.7
138.06819	1.9
143.03502	7.0
149.43675	1.9
151.07695	3.2
152.08389	14.7
153.09218	43.6
205.12350	16.7
223.13402	7.6
223.88179	2.3
302.49194	2.0
347.54684	2.0
367.17328	8.2
409.18762	12.0
427.19763	46.5
469.21002	36.5
527.24994	18.7
571.24072	36.6
615.23163	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	615.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83466	1.1
57.03451	60.7
59.01382	81.0
71.01380	5.9
73.02939	18.3
80.43715	1.2
89.02425	2.0
92.22456	1.2
99.04511	100.0
101.02431	30.0
113.02415	2.4
125.02436	48.0
127.41000	1.0
139.00157	1.1
143.03517	10.1
159.07643	1.2
159.84999	1.2
161.04552	2.0
203.05585	4.5
205.12416	1.3
217.14249	1.2
221.06711	1.9
221.75990	1.1
310.51212	1.2
409.18497	1.5
427.19980	9.0
469.20752	13.0
527.24957	6.3
571.24011	21.2
573.39520	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	615.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.7
59.80331	1.0
66.00396	1.3
71.01383	1.6
74.03596	18.2
81.33904	1.2
84.80077	1.1
86.48014	1.1
89.02437	5.0
96.96013	5.2
97.06574	17.5
99.00877	10.3
101.02438	2.5
113.02482	1.5
118.05101	29.4
119.03509	1.3
138.10417	10.6
140.80986	1.2
154.09869	100.0
161.04564	4.5
172.10924	9.2
175.08371	42.4
175.09764	2.3
179.05707	2.1
212.08269	1.2
217.82072	1.2
224.04776	1.2
255.05013	1.6
273.15723	70.4
341.10904	14.0
517.20093	2.8
615.27527	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	615.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19130	1.2
57.02002	1.1
59.01384	56.5
71.01377	32.5
72.88723	1.3
83.73145	1.4
85.02940	1.6
89.02438	63.0
89.02959	2.7
95.01395	1.4
101.02437	25.7
113.02447	19.9
119.03507	17.7
127.07638	41.3
143.03452	1.6
145.08679	3.3
172.61790	1.3
179.05621	11.7
242.38889	1.4
307.14014	100.0
346.84784	1.4
404.81555	1.4
423.74344	1.3
425.95941	1.3
459.64148	1.5
535.52209	1.5
615.19543	2.2
615.28949	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	615.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
69.21045	1.7
73.04073	3.1
83.02501	3.5
84.00912	4.0
96.00888	3.4
98.02464	12.0
110.02455	2.7
112.04024	3.3
129.10320	8.2
130.08734	18.4
138.09250	18.3
168.24353	2.5
169.09827	13.2
179.11865	2.9
205.09798	2.5
207.15024	5.0
223.10832	16.8
224.17644	4.6
242.18826	11.0
267.09872	58.4
281.19861	52.8
299.20895	52.8
311.20554	2.8
353.81390	2.3
360.44873	2.1
443.77457	2.4
597.32629	38.9
615.33759	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26620	0.1
57.03451	1.2
59.01377	0.7
63.90772	0.1
65.00323	0.2
65.14952	0.1
66.40699	0.1
72.99297	0.5
75.00876	0.1
93.03454	0.2
99.00884	0.1
99.04504	1.3
101.02442	0.2
109.08952	0.1
113.02448	0.1
125.02429	0.3
134.27031	0.1
139.04027	0.2
143.03470	0.1
161.06114	0.2
162.70676	0.1
165.01927	3.6
166.02794	0.1
178.02730	0.1
178.99896	0.7
193.01425	0.6
205.05022	0.1
227.03525	0.2
240.04379	0.1
241.05196	0.2
243.06583	0.1
255.03004	9.7
256.03784	0.6
268.03915	0.2
269.04501	1.2
270.05447	0.2
271.06232	1.1
283.02490	100.0
284.03296	2.2
285.07712	0.2
297.04016	1.1
297.07248	0.1
298.04837	68.5
299.05630	5.5
299.08292	0.1
310.04993	0.1
311.05618	0.8
312.06467	0.9
313.07303	0.6
327.08829	0.2
338.04404	0.1
339.05002	1.0
340.05710	0.1
341.06662	0.1
353.06628	1.3
355.08252	0.6
371.07831	0.2
383.07916	0.2
399.07373	0.6
401.08762	0.2
411.12338	0.2
473.04959	0.5
485.10861	0.4
503.11719	0.3
517.13702	0.3
557.12750	0.4
573.11395	0.1
575.13947	1.3
587.13788	0.1
617.15198	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	617.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21130	0.6
51.99668	0.6
59.01381	0.9
65.25606	0.6
71.01375	3.4
101.02417	2.6
104.04420	0.7
115.00308	0.7
121.02962	9.3
134.03732	4.4
137.02409	1.2
138.88210	0.7
145.84831	0.6
149.06046	1.4
160.01636	13.7
166.46466	0.7
175.04001	100.0
178.02734	0.8
179.03514	0.7
193.05052	9.4
193.07141	2.7
213.94839	0.7
237.04097	1.1
354.09784	6.2
369.11920	84.8
373.78140	0.7
411.13058	2.9
617.21130	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	92.6
59.01381	66.3
69.13394	0.9
71.01376	1.2
73.02914	1.2
81.03451	2.1
89.02419	1.4
94.72242	0.9
97.19902	1.1
99.04510	100.0
101.02440	21.0
110.83122	1.1
119.03493	1.5
125.02437	56.1
127.81009	1.0
135.06229	1.0
142.79660	1.0
143.03516	4.2
161.04494	1.6
162.80380	1.2
283.02414	10.5
287.08777	1.2
298.04764	4.9
343.60669	1.1
417.51373	1.4
471.26025	1.7
529.19489	1.9
573.17975	4.5
573.29388	4.2
617.15100	7.0
617.31744	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	617.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06845	1.1
57.03450	73.7
57.90401	1.3
59.01380	56.8
59.03281	1.0
60.21746	1.3
71.01357	1.6
77.34688	1.1
85.02960	2.0
92.22523	1.5
93.51212	1.4
99.04510	100.0
101.02435	14.3
109.85304	1.3
111.48386	1.2
112.84794	1.4
113.02409	1.4
125.02439	42.4
138.87355	1.4
143.03517	3.0
161.04561	1.7
170.13750	1.3
172.51959	1.4
217.34450	1.4
283.02527	6.7
298.05072	2.0
312.39398	1.7
480.15775	1.4
573.18079	2.5
617.15015	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	617.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	48.0
59.01381	94.2
61.67336	1.4
65.18858	1.4
66.15939	1.3
71.01385	3.5
78.80633	1.3
89.02433	3.4
99.04510	100.0
101.02440	12.9
113.02452	2.3
125.02431	51.5
143.03459	2.7
160.94756	1.6
387.20163	2.9
411.20316	2.5
429.21149	12.2
471.22427	29.9
529.26361	6.6
573.25629	22.9
617.23810	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	617.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47091	3.4
57.03451	40.2
59.01382	94.6
61.38194	2.8
66.50523	3.0
66.51863	2.8
71.01381	18.8
72.79509	3.0
73.02951	16.3
92.23120	3.7
99.04508	50.3
101.02405	26.7
113.02434	24.0
125.02444	32.6
143.03531	5.5
161.04520	4.6
166.49345	3.6
204.47916	3.6
225.15063	6.0
369.19147	8.5
387.20282	15.0
411.20074	8.8
429.21384	100.0
454.81723	4.1
471.22266	30.7
573.25549	32.0
617.24219	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	617.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	72.7
58.15501	0.9
59.01382	72.4
71.01387	1.7
73.04436	1.0
81.03470	1.4
98.47858	1.0
99.04514	100.0
101.02423	12.9
101.91811	1.1
113.02451	1.6
125.02441	49.9
130.91495	0.9
143.03502	5.9
161.04561	2.1
162.90208	1.0
166.61711	1.0
240.63811	1.1
275.43790	1.1
283.02484	4.9
292.29080	1.2
298.04819	4.6
429.25354	1.9
466.58994	1.2
471.25989	6.6
529.30438	2.4
542.73248	1.3
549.91895	1.1
573.20258	1.5
573.29346	13.5
617.15424	2.1
617.28442	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	617.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14953	0.4
55.78381	0.4
57.03442	3.1
58.63821	0.4
59.01382	100.0
59.79459	0.4
59.95564	0.5
71.01349	0.5
79.27271	0.4
82.99331	0.5
92.38409	0.5
96.35797	0.5
99.04514	4.4
101.02448	0.8
103.40141	0.5
125.02450	4.1
154.92241	0.6
568.01007	0.7
573.38446	3.9
617.11023	0.8
617.40613	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45436	0.4
61.98822	1.0
66.39414	0.5
67.88350	0.4
76.60964	0.4
76.94789	0.4
77.38802	0.5
96.14208	0.4
96.96004	0.8
111.87106	0.5
119.05016	46.8
138.10182	0.5
145.02946	3.0
147.04552	1.0
163.04007	98.4
202.89655	0.5
453.33813	18.4
500.50467	0.6
555.39117	0.7
573.40277	0.6
617.38574	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12701	0.5
57.48415	0.6
59.49582	0.6
67.05820	0.7
67.30646	0.6
98.34438	0.7
113.64361	0.9
119.05015	39.4
132.05818	1.2
145.02948	3.5
163.04005	95.8
176.01160	0.7
193.62189	0.7
237.01006	0.9
314.61490	0.8
322.12808	0.7
330.82385	0.8
334.97653	0.8
407.33304	3.5
453.33746	47.2
551.04230	0.9
594.44977	0.8
617.38586	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	617.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52335	0.8
54.56509	0.7
57.03450	0.9
57.75872	0.9
59.01365	1.1
62.44122	1.0
62.72717	0.9
63.48056	0.9
71.01375	2.2
72.99304	1.2
75.00866	27.2
75.63100	0.9
85.02941	26.4
95.01376	1.1
99.00845	1.6
113.02438	20.2
115.00377	1.3
116.01135	1.4
157.01352	1.6
191.03404	1.2
193.05586	0.9
247.02020	1.1
249.98460	1.0
289.06244	1.0
354.98331	1.0
433.79456	1.5
441.37357	1.5
584.56335	1.2
617.40637	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	619.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14757	0.9
57.03432	2.6
59.01377	13.7
71.01373	8.8
71.62685	1.0
72.99295	2.2
73.02950	2.1
74.27949	1.0
75.00848	7.8
80.11670	0.9
85.02952	13.7
87.00868	2.5
89.02415	4.4
95.01358	4.5
99.00853	6.2
99.04514	1.8
100.29162	1.1
101.02418	1.2
103.00396	1.1
113.02437	25.0
117.01900	2.1
117.03468	1.8
134.03746	35.2
135.04521	1.6
149.06042	6.8
149.65047	1.0
160.01614	6.0
161.02415	4.2
161.04489	1.2
175.02534	2.3
175.03975	19.8
179.03514	4.2
186.18694	1.2
193.05067	53.9
249.06198	13.5
267.07144	44.8
267.09647	1.8
331.12265	1.1
366.09384	1.1
381.11917	2.2
387.99875	1.2
425.10754	2.0
443.11969	37.1
446.68811	1.3
619.16730	100.0
641.74677	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82935	0.8
57.03439	4.9
59.01378	6.4
64.00714	0.8
73.02908	1.4
73.57036	0.9
75.92284	1.0
77.43546	0.9
96.96012	1.6
97.29467	0.8
99.04521	4.1
101.02447	1.1
102.00375	0.9
112.78894	0.9
113.02441	1.1
121.02956	1.4
125.02430	1.8
146.03746	4.9
160.05240	1.1
161.06093	2.0
166.16769	1.1
167.03584	1.0
193.05020	1.2
200.00911	1.0
225.07574	1.1
262.06314	3.9
263.07111	1.5
264.07932	5.2
265.08554	1.9
267.06631	19.7
268.52698	0.9
277.08661	1.4
279.06656	22.6
281.08197	1.4
282.08981	25.3
293.08209	2.1
294.05334	12.2
294.08984	16.9
295.06100	2.2
297.11383	19.7
307.06085	2.3
308.06915	1.9
309.07675	13.9
310.08496	6.9
311.05698	2.0
321.07764	2.2
322.08447	13.1
323.05667	29.6
323.09326	2.4
326.08023	18.9
338.07977	36.6
340.02908	1.1
341.10327	60.3
343.48471	1.0
345.96927	1.2
353.10330	100.0
371.11136	8.0
395.03430	2.0
495.89877	1.1
545.17120	1.1
575.17664	3.6
619.08051	1.4
619.22314	1.2
646.03308	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	2.8
59.01384	25.0
59.62211	1.8
61.98822	3.8
71.01376	5.8
73.02948	5.5
85.02922	2.6
87.78238	2.3
89.02443	5.5
91.37455	2.2
93.03465	5.0
93.14662	2.6
99.04521	3.1
101.02441	3.6
106.07231	2.8
107.49299	2.2
113.24105	3.0
114.49567	2.3
125.02459	3.3
137.02435	53.9
145.02998	2.7
194.99544	2.3
267.06647	4.0
279.06589	13.7
282.08896	14.8
289.04974	2.4
294.05380	9.6
294.09021	11.1
297.11316	3.1
309.07611	13.5
309.11057	3.0
310.08459	3.3
322.08444	9.9
323.05566	20.2
323.09042	7.4
326.07947	16.0
330.80255	2.4
337.07303	5.0
338.07953	28.9
339.12646	2.7
341.10291	44.7
353.10324	100.0
365.06476	3.3
371.11377	10.1
380.08447	3.3
395.11447	19.4
575.18018	10.7
575.28479	2.3
583.17029	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	619.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91513	1.2
59.01389	2.3
60.47591	1.2
66.91774	1.6
97.42481	1.6
121.02953	3.4
132.69485	1.4
134.59203	1.4
134.89049	1.6
142.07661	1.7
148.05312	3.9
162.70737	1.6
176.04767	2.6
191.03491	2.8
191.07204	17.5
192.04237	2.2
206.05891	2.5
220.03790	6.9
238.04799	6.5
262.06314	3.4
263.07141	2.8
264.07913	3.6
265.08688	2.1
266.05991	2.6
267.06625	23.2
276.04279	1.6
277.04883	1.4
278.06067	3.1
278.09546	1.8
279.06555	20.4
279.09579	2.1
281.08185	7.7
282.08951	30.1
294.05380	28.8
294.08972	10.9
296.10587	1.9
297.11282	10.1
307.06076	2.0
309.07712	35.0
310.08478	3.8
311.05710	1.6
321.07645	2.7
322.08496	8.8
323.05652	27.3
323.09122	4.1
325.07144	6.7
325.18060	1.7
326.08060	21.7
337.07474	1.8
338.07977	69.6
340.09476	9.4
341.10342	45.8
353.10358	53.1
371.11386	68.7
411.88943	1.8
575.17767	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	619.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.7
58.29047	0.3
59.01383	2.6
63.65692	0.3
70.60440	0.3
71.01393	0.5
76.80464	0.3
79.95741	0.5
91.61044	0.3
93.08334	0.4
96.96003	100.0
97.93114	0.4
99.04530	3.6
101.02444	0.7
114.93391	2.0
125.02460	1.2
166.39496	0.3
172.61952	0.3
193.05019	0.5
213.76477	0.3
224.97182	0.3
347.13776	2.3
389.15204	1.3
427.53458	0.4
449.17120	0.4
475.04800	1.4
477.23648	1.5
487.01581	0.3
579.19128	0.4
616.48199	0.4
619.08411	0.5
619.38129	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	619.225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07814	0.6
57.03448	26.1
58.41788	0.6
58.63439	0.7
59.01384	22.9
60.70507	0.7
67.96143	0.7
68.44212	0.6
71.01383	4.8
73.02940	6.7
74.95696	0.6
81.03453	0.8
83.01400	1.1
85.02932	1.5
92.23094	1.0
99.04515	18.0
101.02448	10.7
111.08143	1.8
113.02444	3.1
113.42599	0.9
119.23335	0.9
120.82516	0.8
125.02435	10.5
143.03534	1.2
146.64499	0.8
161.04407	0.8
165.12842	36.5
166.20262	0.8
183.13896	100.0
197.15456	1.3
203.05685	1.3
207.13878	3.3
209.11856	4.5
210.56151	0.9
227.12894	71.4
251.12885	3.2
252.57808	0.9
283.02548	2.8
298.04999	1.0
328.13211	0.8
335.15350	0.9
431.19241	51.3
456.32620	0.9
473.20010	9.1
475.04681	6.6
559.31250	3.0
575.23053	9.4
619.21985	1.0
619.32343	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	619.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71777	0.6
59.01388	1.2
63.66650	0.6
71.01357	0.6
72.27319	0.5
73.02961	0.6
74.18405	0.7
75.00868	4.0
81.03465	1.6
87.00887	1.1
89.02425	1.3
94.65880	0.7
99.04495	1.0
101.02449	0.9
117.60871	0.7
119.05010	26.9
131.07106	3.0
137.20914	0.6
143.03497	2.7
145.16351	0.6
161.04549	7.3
163.04007	100.0
179.05621	45.7
179.07982	0.9
229.01299	0.7
293.12393	9.6
325.05457	1.3
325.09314	41.7
579.62866	0.7
636.11133	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46443	0.5
64.55223	0.6
67.98691	0.6
74.10580	0.6
89.82468	0.7
91.03223	0.6
94.78094	0.6
160.63469	0.7
166.33032	0.6
190.59505	0.7
195.71242	0.8
335.60956	0.8
459.18347	100.0
473.19879	16.0
474.20752	5.1
485.15930	1.2
501.19150	1.6
503.17319	3.4
517.18781	0.9
518.19690	36.7
532.21130	1.6
533.21936	16.7
536.76721	0.7
587.23212	3.7
619.25714	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	619.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89454	1.1
57.03449	6.5
59.01102	2.3
59.01381	49.6
69.36375	1.2
71.01377	24.8
73.02936	2.9
83.01385	2.0
85.02935	7.6
87.00898	1.4
89.02434	22.2
90.00573	1.2
92.93988	1.1
95.01425	1.2
95.04989	2.1
96.96014	5.2
99.04500	12.8
101.02428	26.8
113.02447	18.0
117.76857	1.2
119.03514	5.7
125.02436	6.4
161.04568	2.8
161.09657	1.9
161.13358	17.6
186.75629	1.2
187.11293	51.5
205.12354	14.9
207.08737	16.1
231.10274	1.7
249.11288	4.6
304.07578	1.2
305.65076	1.3
373.55920	1.4
395.20898	3.0
439.19785	57.4
514.01862	1.4
575.26495	2.2
619.26166	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	619.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52408	1.5
57.03456	50.0
59.01386	100.0
71.01376	30.2
72.99322	1.8
73.02958	18.1
83.01402	2.9
85.02957	10.3
88.39773	1.9
89.02444	18.0
95.04996	1.9
96.96004	7.9
99.00890	1.9
99.04522	70.3
101.02436	48.2
103.00374	10.6
113.02451	20.5
119.03516	4.3
125.02428	37.9
129.36011	1.8
143.03558	7.0
150.74959	2.2
153.09209	3.7
159.03156	2.1
161.04539	3.7
161.13353	8.4
165.01935	1.8
175.04034	1.9
187.11313	28.7
205.12294	4.1
207.08723	7.6
231.10132	2.6
284.03348	2.4
371.20752	2.0
413.21625	2.7
431.22791	11.8
439.19833	32.9
471.26181	2.7
473.23880	10.8
515.25256	3.6
531.28619	2.6
554.19843	1.9
559.30530	8.0
575.26990	46.2
577.32416	4.3
611.44916	2.0
619.25745	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	619.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.9
58.08310	0.6
59.01383	45.0
71.01012	1.2
71.01379	19.1
73.02937	4.3
75.00880	0.9
79.05548	0.9
81.64472	0.8
83.01384	0.8
85.02966	6.5
87.00870	1.0
89.02438	15.6
95.01362	1.5
95.05013	0.9
96.96044	0.8
99.00867	1.2
99.04517	6.2
101.02438	18.7
107.04991	1.4
113.02447	13.0
119.03473	5.2
120.05841	0.9
125.02401	1.7
125.16773	0.9
128.22238	0.8
131.03516	0.8
158.16928	0.7
159.11794	1.2
159.65430	0.7
161.04547	3.1
161.13348	12.1
169.10255	1.3
172.08958	1.1
185.09799	1.2
187.11290	43.7
193.05054	0.7
205.12357	11.3
207.08736	9.8
209.11787	0.7
231.10269	3.0
249.11337	3.7
375.67242	0.9
395.20630	4.1
431.22867	1.0
439.19772	51.3
575.26221	1.2
619.26135	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54896	2.2
56.65963	1.8
57.03453	83.8
59.01106	4.3
59.01384	100.0
71.01382	5.0
73.02939	2.2
73.33527	2.0
78.31841	2.1
89.02421	4.2
94.98089	3.3
98.25687	2.5
99.04512	99.0
101.02427	18.5
113.02448	5.3
119.03543	2.6
125.02448	44.3
143.03452	8.9
169.51181	2.1
175.04092	2.3
199.10063	2.0
241.95023	2.3
245.04349	2.5
431.22772	10.7
473.23926	17.0
558.70618	2.5
575.26837	33.5
619.25714	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	619.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52408	1.5
57.03456	50.0
59.01386	100.0
71.01376	30.2
72.99322	1.8
73.02958	18.1
83.01402	2.9
85.02957	10.3
88.39773	1.9
89.02444	18.0
95.04996	1.9
96.96004	7.9
99.00890	1.9
99.04522	70.3
101.02436	48.2
103.00374	10.6
113.02451	20.5
119.03516	4.3
125.02428	37.9
129.36011	1.8
143.03558	7.0
150.74959	2.2
153.09209	3.7
159.03156	2.1
161.04539	3.7
161.13353	8.4
165.01935	1.8
175.04034	1.9
187.11313	28.7
205.12294	4.1
207.08723	7.6
231.10132	2.6
284.03348	2.4
371.20752	2.0
413.21625	2.7
431.22791	11.8
439.19833	32.9
471.26181	2.7
473.23880	10.8
515.25256	3.6
531.28619	2.6
554.19843	1.9
559.30530	8.0
575.26990	46.2
577.32416	4.3
611.44916	2.0
619.25745	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	619.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35745	1.8
54.96263	2.2
57.03450	95.0
59.01385	88.9
60.67573	2.2
71.01382	3.6
74.27388	2.1
78.72002	2.3
81.70869	2.2
99.04508	100.0
100.24328	2.3
101.02419	17.6
108.81062	2.4
125.02429	47.0
143.03506	4.8
161.04601	3.2
200.48509	2.4
257.83276	2.8
301.96454	2.4
402.36224	2.5
431.22867	12.5
473.23862	21.5
531.29120	2.7
573.44086	2.9
575.27002	35.3
619.25751	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	619.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
71.01380	44.9
72.99294	1.0
73.02940	31.5
83.01382	5.9
85.02946	8.8
87.00874	2.3
88.66687	1.0
89.02437	52.0
95.01379	2.1
96.96016	7.2
101.02438	38.7
113.02444	24.3
119.03490	21.3
131.03465	2.0
132.00406	1.2
139.33221	1.2
143.03511	5.8
149.04555	6.9
161.04527	17.3
165.05598	1.0
173.43820	1.0
179.05617	27.2
180.13930	1.0
188.32510	1.2
200.23022	1.2
203.05568	1.4
203.08319	1.3
221.06668	7.2
245.09377	5.0
282.66895	1.0
310.87457	1.0
390.58496	1.1
395.81824	1.3
575.27216	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	619.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53988	1.3
52.12122	1.7
55.01875	1.8
59.01383	100.0
68.64063	1.6
71.01380	46.0
73.02948	34.5
83.01384	7.6
85.02943	6.4
85.65736	1.6
89.02444	52.5
92.23071	2.2
95.01360	1.9
96.95993	3.1
101.02443	36.2
113.02436	26.5
119.03503	21.4
131.03496	3.4
137.07481	1.6
142.49011	1.8
143.03520	4.2
149.04573	9.5
161.04613	14.9
178.66048	1.7
179.05614	22.7
202.62318	1.7
203.05609	2.0
203.08380	1.9
221.06702	8.2
245.09451	5.9
259.20157	1.6
327.41263	1.8
469.77155	2.0
575.27277	7.1
619.21783	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	620.5016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31178	0.7
74.53864	0.7
75.24844	0.7
97.06567	5.3
99.50968	0.8
103.09702	0.8
121.68076	0.7
123.08142	1.2
125.09715	94.9
142.12378	1.8
152.10782	2.9
157.28442	0.8
169.08737	1.7
172.09770	1.6
186.11362	76.3
210.96045	0.9
280.26520	1.6
290.28229	0.9
321.21884	0.9
321.36801	0.9
322.20261	3.8
333.73743	0.8
339.18835	1.6
339.22919	37.5
348.72766	1.0
620.50159	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.1
59.01648	0.3
59.11150	0.2
67.91300	0.2
73.02937	0.2
77.04026	0.2
85.02931	0.4
88.98812	0.3
89.02438	0.5
95.62233	0.2
99.04459	0.2
101.02428	1.1
107.01351	0.3
113.02459	0.6
139.58920	0.3
151.00372	1.8
152.01112	0.3
163.00343	0.5
178.99815	0.5
209.06561	0.3
213.05487	0.3
227.03506	11.4
228.04280	0.3
229.05013	0.4
255.02991	32.6
256.03772	5.8
257.04617	1.9
283.02435	0.4
284.03271	100.0
285.04041	10.6
371.96246	0.3
417.67712	0.3
535.27698	0.3
561.29138	2.1
621.14661	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	621.15
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	41.8
59.01097	2.8
59.01382	36.4
60.07911	1.5
71.01377	3.7
71.48444	1.7
73.02951	1.8
75.90458	1.9
96.96004	11.9
98.95590	8.4
99.04511	36.3
99.92594	10.9
100.93353	3.9
101.02457	14.5
113.02470	3.5
115.92035	3.7
116.92851	100.0
125.02450	13.0
129.22073	2.0
134.03760	8.0
143.03494	2.6
145.81915	2.0
183.94720	2.1
193.05034	8.8
226.96461	3.4
287.66931	2.0
305.56985	2.1
315.25281	4.3
477.04364	8.7
477.30542	13.5
495.49133	2.1
559.15332	2.6
561.32794	3.3
577.15948	4.3
577.32129	9.8
585.25952	8.3
593.01343	2.4
614.80951	2.2
621.15540	44.3
621.34314	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	621.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46691	1.1
59.01388	21.0
71.01379	6.2
73.02950	8.3
85.02983	1.5
87.64986	1.4
88.98781	9.4
89.02439	1.4
93.73637	1.4
101.02457	10.1
107.05029	2.8
108.02116	1.6
109.02945	2.2
113.02439	2.4
117.03467	1.6
119.05016	8.2
123.04520	6.1
124.01624	1.3
125.02442	2.6
134.03741	30.9
135.17445	1.1
136.05309	1.3
137.02446	1.9
145.02933	3.2
145.38261	1.3
147.04535	25.0
149.02452	2.3
149.04985	1.2
149.06090	7.8
150.03291	5.0
159.04517	7.0
160.01605	2.5
160.05258	14.3
161.02438	1.6
161.06165	3.9
163.04021	17.0
164.04799	14.6
165.05591	8.0
165.47882	1.3
171.48236	1.6
173.06038	2.0
175.03941	6.3
175.07640	31.1
177.05560	8.2
178.02695	7.9
178.06305	13.3
192.07930	5.3
192.58215	1.5
193.05077	45.3
193.08705	2.0
268.07443	2.3
283.09741	37.0
284.03406	1.6
284.10455	1.9
293.08438	1.2
297.11340	2.9
298.12100	21.2
299.12900	5.5
311.58734	1.4
324.10016	1.4
327.12268	2.3
329.13959	41.8
353.10172	2.3
355.11060	1.7
373.12985	2.9
417.12009	5.6
445.13776	2.8
577.19330	100.0
588.98798	1.4
621.18134	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	621.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01542	0.3
57.35899	0.4
59.01373	0.5
60.49352	0.4
60.54864	0.4
63.77818	0.4
68.52864	0.5
78.92458	0.4
99.59190	0.5
130.98122	0.5
137.02448	3.9
151.00352	3.5
151.03975	0.7
152.04820	4.1
166.02715	42.2
167.03490	1.0
177.01974	0.7
179.07123	0.4
181.05077	90.5
190.06418	0.9
205.05112	0.7
207.06664	2.0
209.04663	0.5
308.31949	0.5
357.10208	0.7
359.11450	0.7
387.10895	26.4
402.13116	10.1
417.15625	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88037	0.4
57.03442	0.8
59.01383	100.0
59.34835	0.5
62.76674	0.5
70.66676	0.5
71.01379	0.9
80.20992	0.5
85.78291	0.5
96.47594	0.5
101.02461	0.6
108.02169	0.7
123.04511	2.4
125.02417	3.0
143.97768	0.7
149.06049	0.7
161.04582	1.0
165.05560	0.8
203.07175	3.8
261.05606	0.8
262.06277	0.9
278.09482	4.8
279.06616	10.8
279.09381	0.9
294.09006	18.3
306.08954	2.3
309.11359	61.8
321.11359	3.4
339.12344	6.6
360.83713	0.6
369.13464	8.8
381.13486	30.4
399.14612	1.4
413.04904	0.6
621.21753	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	621.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	24.2
60.42012	0.8
71.01375	1.6
73.02929	1.3
85.02920	1.5
88.98775	8.8
89.02467	1.1
93.31928	1.0
97.60514	0.9
101.02451	1.3
136.01662	18.3
151.04005	82.2
165.89558	1.1
173.06078	1.7
175.07652	2.2
281.08261	1.5
282.08725	1.6
285.23816	0.9
292.99411	0.9
296.10440	7.7
297.11346	11.0
309.07690	1.4
327.12283	1.9
339.12354	1.6
342.11108	15.2
357.13477	100.0
590.79376	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	621.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
78.59591	0.9
108.10754	0.9
138.72394	0.8
151.72403	1.0
160.67552	0.9
168.39966	0.8
204.30867	1.0
279.06577	1.7
284.03210	6.8
294.08972	7.8
297.07709	1.9
301.38400	0.9
308.10428	1.2
309.07742	8.6
309.11362	15.3
310.16269	1.0
312.10031	10.9
324.09976	12.1
327.12390	21.9
339.12479	21.4
357.13766	1.1
381.13397	5.5
621.13995	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	621.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14604	0.7
52.58621	0.8
67.25511	0.8
69.86916	0.9
81.50882	0.8
82.54021	0.9
98.11530	0.8
99.92554	1.1
100.32399	0.8
116.92837	2.1
151.27249	0.9
225.85948	1.0
252.11917	0.9
392.21817	1.1
431.22516	4.9
445.24051	1.8
446.24542	1.7
458.21173	0.9
459.21948	43.0
473.23767	4.1
474.24319	6.0
485.19806	1.1
486.20770	4.6
489.19284	5.6
490.20062	11.1
499.20914	1.4
501.22916	6.4
503.20874	13.7
518.23254	4.9
533.25830	8.2
562.22235	100.0
577.24677	1.5
621.23297	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	621.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
78.04452	3.2
85.57738	3.1
87.29668	3.1
101.98026	3.2
109.92940	3.4
116.58959	3.4
145.72983	3.6
205.80070	4.4
308.26117	3.3
445.20602	7.8
457.20273	5.5
458.21017	20.8
459.22067	21.6
471.18134	7.2
473.19769	21.9
474.20633	20.7
485.19788	7.6
486.20703	36.4
488.18454	26.8
489.19153	79.4
500.22018	5.0
501.23035	51.8
503.20807	7.7
516.17786	23.8
518.23694	8.4
533.25635	23.5
545.22058	51.7
548.20569	31.0
559.23425	4.5
562.35370	4.2
577.24622	6.5
621.23547	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71642	1.6
60.16115	1.8
70.04057	1.8
74.40077	1.9
247.23650	2.0
318.23401	2.1
362.89957	2.2
433.20108	2.3
443.18570	2.6
444.19492	9.3
445.20691	17.8
446.21008	11.6
457.20538	11.4
458.21329	15.2
459.22037	36.4
461.23450	10.7
471.18396	11.5
473.23639	10.6
474.20465	27.0
475.21536	3.1
484.19473	2.5
485.20020	34.9
486.20660	58.9
488.18225	18.2
489.18564	40.9
499.21317	8.4
500.22141	2.8
501.23077	100.0
503.21078	12.7
512.18970	2.7
516.17987	18.9
518.23163	11.9
527.20941	4.7
531.20343	3.8
533.25928	43.1
544.21173	2.5
545.22021	63.0
548.20801	10.4
559.23444	23.1
562.22321	10.6
577.24548	44.6
589.20874	8.3
621.23828	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	621.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04076	0.6
56.17975	0.6
80.29498	0.8
80.32682	0.8
140.78423	0.7
148.37599	0.7
191.29704	0.8
242.27797	0.8
395.05923	0.7
404.63638	0.7
405.20532	1.0
417.20905	11.6
419.22076	1.1
435.22025	2.8
444.19562	9.2
445.20465	0.9
458.21341	0.9
459.17194	1.0
459.22723	3.3
460.19095	12.0
461.19739	4.1
473.19775	3.2
474.20691	9.5
475.21417	5.1
476.22183	5.7
487.21735	3.3
501.19366	1.1
502.19876	2.8
515.20239	1.3
535.23236	0.9
546.22992	5.3
561.25110	32.2
562.25836	8.9
621.27277	100.0
628.61273	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63616	1.9
51.21446	1.7
57.03449	57.0
59.01381	100.0
63.12943	1.8
71.01375	26.8
73.02943	8.1
77.83282	1.8
85.02947	12.5
89.02440	21.1
92.23022	2.4
97.10454	1.9
99.04514	60.5
99.05150	2.4
101.02444	32.8
101.04556	2.1
113.02431	17.8
119.03507	3.7
125.02441	20.6
135.69749	2.2
143.03456	2.4
145.27962	2.1
161.04568	4.0
189.12819	9.9
207.08742	12.0
207.13939	15.0
211.59930	2.3
233.11575	2.9
247.82790	2.0
251.12866	2.9
335.43304	2.0
373.22406	3.6
415.23624	2.4
433.25095	15.7
441.21457	40.5
475.25641	11.7
517.27167	2.7
561.28333	2.5
577.28784	24.4
621.27649	95.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22289	1.2
51.24743	1.2
59.01384	100.0
71.01374	46.0
73.02942	44.2
74.02473	2.8
74.96582	1.6
83.01384	6.4
85.02953	15.0
87.39428	1.6
89.02437	35.2
95.01390	7.1
101.02435	40.0
113.02440	34.2
119.03484	12.1
126.14926	1.5
131.03450	3.0
161.04559	3.1
203.08253	6.4
245.09326	10.3
356.42206	1.8
409.14194	1.9
517.26587	65.7
535.27765	36.2
577.28662	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	621.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35289	1.1
69.03442	1.4
71.47141	1.2
83.01389	1.9
83.05031	2.0
85.02950	2.1
93.03182	1.2
113.09709	3.2
114.14701	1.2
125.09708	5.8
139.11285	8.3
148.19087	1.2
151.91887	1.2
155.10803	1.4
165.12808	6.7
167.10834	1.8
167.14455	1.5
171.10258	18.6
177.63026	1.5
193.12370	3.0
195.13889	6.5
209.11865	19.3
211.13423	2.7
213.59337	1.3
221.11945	1.7
223.13374	7.4
225.14946	7.7
239.12799	2.2
240.76488	1.3
247.20731	2.3
260.34116	1.3
265.21793	2.1
277.21762	5.6
291.19690	20.5
293.21210	9.0
295.22775	7.7
309.20706	16.2
309.46545	1.2
311.22366	34.5
430.98532	1.8
621.47394	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78548	0.4
57.03451	3.9
59.01387	6.7
65.23785	0.5
73.02921	0.7
76.15195	0.5
85.02939	1.0
89.02449	1.2
90.00787	0.6
99.04509	4.6
101.02425	3.0
107.01355	0.7
113.02408	1.1
116.92820	4.7
119.03523	0.6
125.02426	1.0
133.36296	0.6
134.03745	1.0
135.04541	2.2
144.28230	0.5
151.00334	3.8
160.01646	2.6
161.02472	6.2
175.03964	6.2
179.03508	3.2
181.15019	0.6
193.05069	2.5
208.35420	0.6
213.05612	0.9
213.48744	0.6
227.03497	10.9
229.05167	4.8
239.03612	1.0
241.05121	0.7
255.03003	34.4
256.03757	7.1
257.04483	6.6
283.02463	2.9
284.03275	93.3
285.04050	59.6
298.04919	1.3
299.05557	6.0
323.07733	1.3
399.16394	0.7
435.26205	0.9
447.09134	1.1
477.81961	0.7
479.32239	1.1
563.31372	0.8
579.29376	0.7
623.14105	100.0
623.35901	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	623.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98714	0.5
58.76543	0.4
59.01149	0.5
59.01386	7.2
63.26631	0.5
65.56942	0.5
68.58648	0.6
71.01380	0.9
77.62144	0.6
85.02933	0.6
96.95953	0.7
108.02168	20.4
109.02943	10.3
113.02406	1.1
123.04520	0.8
149.02419	5.2
150.03220	3.1
151.03979	2.4
152.01144	100.0
153.01895	4.6
163.03937	3.5
164.04803	12.6
165.05542	2.3
167.03477	0.8
176.01167	0.8
179.07114	2.2
190.02679	1.3
191.03474	3.3
194.02202	2.3
199.86797	0.7
205.05046	1.4
209.04536	4.7
223.06117	8.3
234.83247	0.6
241.07204	4.4
285.06079	1.0
329.13193	1.1
350.93347	0.6
399.09399	8.3
417.10391	19.2
519.31390	0.8
623.16180	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	623.1624
Annotation	Peonidin 3-gentiobioside
Peak:m/z	Relative Intensity
53.99732	0.3
59.01348	0.5
74.44411	0.3
93.03448	1.3
102.39957	0.4
163.00401	0.3
165.01932	19.8
175.04004	0.7
178.02756	0.6
206.02164	0.5
206.97797	0.3
240.04225	3.4
243.06540	1.2
255.02969	1.3
255.06671	1.3
256.03842	0.8
271.06146	24.2
283.02530	8.2
284.03268	8.9
285.04056	9.8
297.04062	1.5
298.04846	16.8
299.05640	100.0
312.06451	0.4
341.06601	1.1
400.14316	0.4
461.10947	30.7
623.14233	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	623.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
69.76231	1.4
72.99306	3.0
90.36158	1.5
92.22456	1.9
93.15755	1.6
96.95985	1.8
99.04573	1.6
101.06071	50.3
104.32509	1.5
111.00832	3.0
115.03966	14.4
129.05563	16.2
137.02422	2.0
145.05074	8.1
167.03487	9.1
191.01973	3.6
191.05623	100.0
197.07837	1.5
245.40269	1.6
285.13226	1.5
379.69894	1.6
599.39307	1.8
623.18335	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	623.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56812	0.9
59.01373	1.6
61.71608	0.9
62.23542	0.9
63.49374	0.9
75.00862	4.3
76.42571	0.9
76.96014	1.0
85.02964	1.3
87.00878	6.0
92.22885	2.1
98.61203	1.0
99.00871	1.0
109.02945	1.2
119.05013	14.9
129.01895	2.2
136.01642	5.6
147.02983	6.3
150.03197	1.7
151.04013	21.0
163.04002	43.3
165.04039	31.0
165.05548	6.6
166.08197	1.1
175.04012	4.2
176.04855	3.6
178.71744	1.0
190.06416	1.8
191.07164	8.3
193.05045	5.8
195.06636	1.7
267.06607	6.1
269.53513	1.2
279.06619	1.5
282.08987	33.6
294.08981	4.3
297.11328	100.0
309.11221	2.0
311.07755	39.2
312.10233	11.3
315.12189	1.3
327.12387	38.6
345.13477	18.8
357.13742	8.7
357.17392	1.3
375.14511	75.7
375.19336	2.4
536.17749	2.1
556.49084	1.3
579.20978	7.5
623.18408	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	623.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99863	1.2
59.01379	56.7
64.23542	1.2
71.01365	11.2
73.02940	16.8
83.01385	2.5
85.02940	2.2
89.02432	1.6
93.03436	7.5
100.38316	1.2
101.02429	15.0
113.02444	8.2
119.54908	1.6
121.02995	1.4
127.07649	30.1
131.03421	1.4
133.02913	2.3
136.01697	2.7
137.02444	32.2
143.03526	1.3
149.02470	12.9
149.04677	1.5
150.03223	45.1
151.04050	1.7
161.04527	5.1
164.04816	18.4
165.05560	67.2
171.06613	28.3
179.03502	33.6
179.07083	1.4
179.70065	1.4
180.04291	6.4
195.06641	14.8
221.02600	1.4
221.06602	2.2
239.05615	4.7
281.06683	8.8
283.09738	2.4
312.10062	28.0
327.12384	60.6
327.16190	2.1
461.10898	6.8
471.16260	2.5
519.18555	2.0
528.73523	1.6
531.18585	10.8
537.19159	2.7
563.14075	29.7
579.20905	100.0
623.15887	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	623.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61751	2.8
51.76978	2.3
52.33814	2.6
52.35246	2.7
57.03446	3.5
57.12339	2.5
60.90501	2.6
61.47834	3.0
86.02480	7.8
99.04523	3.4
120.08155	12.1
174.09293	5.6
188.07196	4.7
203.08281	3.9
213.06682	3.3
264.31323	3.8
284.27127	3.4
304.14468	4.2
320.14145	12.7
330.12579	4.9
345.14987	5.9
438.21664	3.9
447.22131	3.9
449.20047	5.5
452.18451	4.9
458.20956	6.5
461.19440	4.3
463.25027	6.4
473.23657	22.3
475.21069	5.2
476.22522	8.0
477.19519	5.7
494.19391	5.0
495.20273	4.9
507.23993	72.0
507.30734	5.9
535.23413	4.4
544.78009	3.5
551.23108	76.8
595.21985	100.0
623.22583	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	623.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.9
59.34775	0.8
59.59296	0.7
61.65268	0.8
71.01391	1.2
72.27997	0.9
89.02398	1.1
94.10547	0.9
101.02444	1.2
103.00387	1.6
137.02458	3.6
142.13574	0.9
150.03226	1.4
151.04012	2.1
152.01167	5.5
152.04768	1.1
153.01910	1.2
155.92479	1.0
160.86432	0.9
163.03987	1.9
165.02042	1.1
165.05577	4.6
175.03995	4.0
179.03493	1.8
180.04286	7.5
189.05583	7.0
190.06361	22.9
191.07152	5.8
193.05020	9.1
194.05884	6.2
203.07091	1.4
205.08731	26.3
207.06639	9.6
208.07413	40.3
222.08951	13.6
223.09814	1.3
237.42058	0.9
243.03020	1.3
271.02542	7.4
285.04089	4.2
286.04953	1.3
299.01971	26.8
300.02872	1.3
314.04327	24.7
315.05057	5.0
353.63531	0.9
374.13684	5.3
375.14526	1.1
389.16113	100.0
419.17191	21.1
623.16083	34.1
623.23737	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	623.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.9
74.40339	2.1
90.15873	2.4
103.12758	2.2
202.19914	2.6
203.36633	3.0
419.22626	10.4
432.23154	5.8
433.24008	11.8
445.20575	3.3
447.25784	28.3
457.23996	3.4
460.22842	21.1
461.23425	9.4
474.20789	11.9
475.25168	28.8
476.18680	4.8
476.25919	10.2
490.20053	5.6
491.20950	35.7
503.24643	4.9
547.23590	62.1
564.23859	100.0
579.26202	9.0
623.24994	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	623.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83691	4.2
57.41494	4.3
59.01394	4.3
72.68387	5.3
77.27210	4.4
100.30205	5.5
129.49741	5.7
134.36856	5.2
157.82632	4.8
171.10295	5.4
210.75650	4.9
297.24298	22.5
449.89056	5.4
457.24173	6.8
459.21906	7.2
461.38123	5.4
476.22238	6.1
485.23325	8.4
487.21063	6.3
488.22269	12.2
503.24557	100.0
529.22302	21.8
547.23694	7.6
547.46112	6.4
579.26007	12.4
591.22449	10.5
623.25269	24.1
623.45367	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	623.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49118	1.3
59.01371	1.7
61.48650	1.3
93.32871	1.5
101.58230	1.5
102.84913	1.6
102.98489	1.6
116.92911	1.9
141.86287	1.9
244.53114	1.7
262.04926	1.7
407.08530	1.9
412.24551	1.9
430.21405	4.0
431.22470	11.8
442.21866	3.8
443.22714	13.7
445.24042	9.2
446.24380	2.6
457.23981	21.4
459.22061	12.9
469.20401	2.1
470.21329	7.9
471.21930	2.5
473.24060	3.2
474.19711	2.1
474.24390	9.1
483.21848	3.1
485.23798	30.2
486.20596	11.3
487.21399	67.2
501.22931	27.8
502.23856	33.7
511.21487	11.6
514.20154	29.0
515.20886	2.1
518.23199	7.3
529.22620	44.0
546.16058	2.8
546.22742	93.8
561.25104	58.9
562.22278	11.7
605.24176	100.0
623.25568	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	623.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50139	1.6
51.13825	1.6
57.03451	77.7
59.01382	100.0
71.01375	11.3
73.37993	1.5
74.71894	1.8
77.75819	1.8
79.43678	1.7
85.02941	7.2
99.04511	77.0
99.87740	2.2
101.02443	26.5
111.00873	9.9
113.02448	2.2
116.92868	2.5
118.05147	2.3
125.02431	41.2
143.03510	4.5
156.45503	1.9
160.01607	2.2
161.04573	2.8
175.04005	3.1
199.48419	2.0
291.18024	2.2
333.19214	10.9
375.20053	7.3
415.23560	2.7
477.23114	3.4
563.34515	22.3
579.26764	9.8
581.34985	8.2
623.26709	3.0
623.35986	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	623.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36770	1.2
55.72142	1.0
57.03454	28.0
59.01385	49.5
71.01382	16.1
73.02961	2.6
85.02933	11.1
86.03959	1.1
87.00864	5.1
89.02444	5.8
95.01378	2.6
96.96016	2.0
99.04517	38.4
101.02444	12.7
103.00459	1.5
111.00836	2.1
111.08144	1.6
113.02433	23.9
119.03500	1.6
123.69585	1.5
125.02435	14.7
137.18204	1.4
149.04488	8.1
165.12845	39.2
174.65930	1.7
181.12221	1.4
183.13907	100.0
185.90912	1.2
205.07161	1.3
209.11783	5.9
227.12909	8.4
263.07727	2.4
281.08728	6.7
317.23254	1.8
332.79181	1.4
375.23834	1.8
393.24887	2.1
408.60867	1.4
417.25204	1.7
435.25839	10.8
446.21964	1.4
477.27103	2.0
479.29053	1.5
491.21396	31.6
519.27924	2.1
537.29608	1.6
563.30286	2.0
579.30359	16.5
623.25360	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	623.381
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	5.0
57.15498	0.6
59.01382	100.0
67.49441	0.7
83.36276	0.6
99.04510	5.3
100.04819	0.9
101.02382	0.8
113.02430	1.0
125.02427	3.3
175.04054	0.8
216.15581	0.7
234.76193	0.7
252.47289	0.8
489.54166	0.8
497.33023	8.0
515.33850	59.4
563.35120	1.6
614.00458	0.7
618.95599	0.8
623.37885	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	623.381
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	5.0
57.15498	0.6
59.01382	100.0
67.49441	0.7
83.36276	0.6
99.04510	5.3
100.04819	0.9
101.02382	0.8
113.02430	1.0
125.02427	3.3
175.04054	0.8
216.15581	0.7
234.76193	0.7
252.47289	0.8
489.54166	0.8
497.33023	8.0
515.33850	59.4
563.35120	1.6
614.00458	0.7
618.95599	0.8
623.37885	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	623.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15569	0.4
55.01854	0.4
55.36892	0.3
59.01105	0.8
59.01380	15.6
60.99295	0.4
63.90544	0.4
64.70758	0.3
71.01375	9.8
81.49055	0.4
83.01366	0.5
85.02939	1.6
88.63615	0.4
89.02435	10.5
101.02437	8.3
113.02431	5.0
119.03504	4.1
136.85245	0.4
179.83862	0.5
343.30493	0.4
345.31607	2.0
361.39621	0.4
375.02130	0.4
379.33850	0.6
399.36237	2.4
425.34381	3.3
443.35275	15.8
461.36276	4.8
491.20517	0.6
519.23401	0.5
547.23303	0.7
564.23749	2.2
623.41669	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.4534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14682	2.4
63.94045	2.7
72.05290	2.6
74.80356	2.3
110.05049	3.4
119.52573	2.5
135.37622	2.9
144.90895	2.8
171.57320	2.9
181.12389	4.1
197.12001	4.7
199.13478	3.3
211.13387	18.5
293.21283	13.4
303.76849	3.0
311.22336	100.0
313.63269	2.6
346.31525	2.7
400.85806	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	623.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28622	0.9
62.80523	1.0
66.86662	1.0
71.06210	0.9
73.69337	1.2
75.15329	1.0
91.04066	1.2
133.94464	1.1
151.53781	1.0
154.88429	1.0
167.11948	1.0
167.14331	4.9
193.15968	2.6
249.18611	8.1
255.23312	94.2
263.71518	1.1
266.23318	1.2
267.19656	72.8
275.16519	5.1
293.17587	27.4
349.20639	1.2
623.45361	100.0
629.33881	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10350	0.4
58.96848	0.4
59.01373	0.8
62.51000	0.4
63.16121	0.4
78.95907	3.1
82.78457	0.4
89.02450	0.9
96.96999	0.9
97.46799	0.5
100.37001	0.5
101.02426	0.7
111.02005	1.1
118.05114	0.6
133.01556	4.4
150.04211	100.0
161.04573	0.7
207.06308	0.5
282.08459	72.2
290.13324	0.5
311.79752	0.5
341.10922	0.9
592.02966	0.6
624.07794	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	624.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64067	0.4
61.98830	100.0
69.00150	0.4
69.39345	0.5
78.47734	0.4
88.01080	0.5
156.27695	0.6
424.80389	0.5
516.72253	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94681	0.4
57.31337	0.4
58.02969	5.2
59.01380	20.7
59.10294	0.4
70.02972	9.5
71.01369	0.8
72.00885	0.4
72.04565	0.8
73.02946	0.5
74.02467	34.7
75.43680	0.4
88.83025	0.5
89.02410	0.7
93.03455	3.8
98.02468	7.3
101.02424	2.0
108.66655	0.4
113.02406	0.5
116.03526	19.5
116.05013	6.8
130.06584	1.0
137.02448	9.9
142.06596	0.7
159.09274	2.4
165.05534	1.0
167.03465	1.1
183.09311	0.5
185.94804	0.7
186.05630	0.6
201.10367	6.6
203.08276	70.0
223.44339	0.5
245.09309	100.0
249.13445	2.2
264.16165	0.5
278.44476	0.6
279.91800	0.5
289.08414	3.9
291.14575	5.2
355.16565	0.5
402.70734	0.5
403.13885	1.9
539.22162	0.6
563.43274	0.6
625.17719	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	625.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51895	0.6
55.01871	1.4
57.03420	0.9
59.01382	8.6
65.75153	0.6
69.03452	0.9
71.01364	8.6
72.99289	2.8
75.00864	14.6
85.02944	11.0
87.00858	4.6
89.02413	4.7
95.01363	3.3
99.00889	7.6
101.02398	3.2
103.00354	1.4
106.64874	0.6
111.00842	1.0
111.08132	1.2
113.02443	19.1
115.00352	1.6
117.01894	1.4
119.03471	0.8
126.66408	0.7
129.01941	5.1
147.03001	0.8
159.38075	0.8
161.04616	0.9
165.04073	18.8
165.05511	3.6
165.12839	23.0
175.02434	2.6
183.13901	74.8
209.11827	2.6
209.29253	0.8
227.12941	8.5
249.06175	11.8
267.04828	1.0
267.07288	13.3
301.16711	1.2
354.65823	0.7
375.20154	1.4
415.19781	1.2
470.75040	0.8
477.19760	14.5
607.22363	0.8
617.13324	0.7
625.23474	100.0
629.78577	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34185	0.4
52.40583	0.6
54.59189	0.4
57.03447	3.4
59.01382	11.6
64.49525	0.4
71.01382	2.2
73.02947	1.2
83.01371	2.6
85.02938	1.2
87.00859	2.7
99.04493	0.7
100.74440	0.5
101.02431	2.4
107.05011	2.1
113.02446	1.0
116.92840	0.6
120.05811	1.1
120.18873	0.5
121.02937	0.6
126.73087	0.5
135.04433	0.6
142.85762	0.6
150.03215	22.3
151.03984	3.4
159.11713	0.8
161.09714	12.7
161.13322	2.4
163.11320	1.0
165.05562	85.5
174.38097	0.6
180.04254	0.6
180.97217	0.5
183.13959	0.8
185.09686	0.5
187.11285	12.4
189.09209	6.7
195.06650	0.6
203.10738	0.6
205.12321	2.0
207.10272	1.3
213.07646	1.1
223.13522	0.8
249.11357	2.3
267.12463	0.8
349.18600	1.0
377.33652	0.7
411.16425	2.2
477.19742	0.6
565.18005	0.7
607.24829	0.6
625.25055	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	3.2
61.29493	1.2
61.90373	1.3
62.57120	1.7
63.44316	1.4
94.98088	3.3
100.48259	1.5
102.55614	1.5
109.00068	1.6
111.02109	1.6
112.97885	1.6
114.50490	1.6
116.92847	4.2
137.81294	1.6
149.38184	1.7
213.10333	3.7
345.89359	1.8
368.47537	2.0
385.14099	2.2
414.08249	1.9
448.15219	8.3
449.16342	7.5
463.17767	16.0
478.20264	2.4
479.20859	23.4
491.17166	30.6
505.19125	7.5
506.19559	3.5
523.20129	2.6
538.22821	2.9
625.26801	100.0
633.33563	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	625.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67001	0.6
54.29017	0.5
59.01379	18.9
71.01376	11.1
71.21021	0.6
72.51739	0.6
73.02933	1.1
85.02927	2.3
87.00869	2.4
88.60078	0.6
89.02435	10.8
95.01395	0.7
97.02921	0.9
101.02441	11.7
111.08183	0.5
113.02412	6.0
119.03479	2.8
125.02418	3.5
138.31160	0.6
143.03491	1.1
161.04509	1.3
165.12831	12.2
174.96211	0.6
183.13902	100.0
209.11697	1.0
222.53751	0.7
227.12935	10.5
235.08203	1.2
244.15884	0.6
310.77115	0.7
375.26926	0.9
449.41013	0.7
497.49658	0.8
625.27179	99.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93842	2.0
57.03455	27.9
59.01385	41.4
62.42352	2.6
71.01388	34.4
73.02930	2.9
87.00887	3.2
89.02438	66.1
99.04523	26.9
101.02443	25.7
113.02411	10.1
119.03517	3.2
125.02443	23.2
131.03470	18.9
149.04562	27.4
152.92740	2.8
165.05566	6.0
191.05598	19.1
209.11880	3.0
236.73785	2.5
250.28885	2.5
261.52994	2.8
463.21930	4.8
481.23013	35.1
523.23547	11.5
625.27509	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.272
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71479	0.8
53.56555	0.8
57.03440	1.5
58.71373	0.9
59.01382	21.9
64.06957	0.9
71.01384	9.0
71.06836	1.0
73.02927	1.1
74.12547	1.0
75.45944	0.9
83.01360	1.6
89.02437	14.9
95.01369	1.2
97.02943	1.3
101.01934	1.0
101.02451	12.7
106.60698	1.0
113.02421	6.8
116.47798	1.3
119.03493	2.6
119.48717	1.1
121.05858	0.9
125.02416	2.3
129.20320	1.0
150.03229	2.4
164.58031	1.1
165.05547	4.0
165.12875	9.4
183.13901	88.9
224.95503	1.3
227.12907	7.5
291.86011	1.1
621.21143	1.2
625.27148	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	625.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	1.2
57.03456	3.0
59.01382	26.0
61.71795	0.7
71.01378	19.2
72.99320	3.8
73.02962	2.9
75.00867	15.7
85.02945	17.9
85.03410	0.9
87.00433	0.7
87.00858	4.8
89.02434	14.3
91.04032	0.8
95.01371	4.6
99.00872	7.5
101.02435	10.7
103.00382	1.5
113.02440	26.3
113.03188	1.1
115.00382	1.2
117.01949	2.4
119.03508	5.8
129.01933	3.4
130.42580	0.6
131.03545	0.8
135.72496	0.7
142.16827	0.7
144.80107	0.7
147.02983	1.0
150.03252	1.0
157.01477	0.7
161.04547	0.7
165.04039	9.8
165.05368	1.0
165.12875	9.0
175.02507	1.3
183.13910	32.9
195.13925	6.7
209.12126	0.7
213.15077	3.8
227.13011	3.3
249.06151	11.0
267.07242	7.3
349.18869	3.1
357.19327	1.3
375.20273	16.0
427.72351	0.7
477.19785	5.1
625.27087	100.0
636.46600	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.8
57.03453	7.2
59.01383	69.4
60.51764	1.7
71.01379	50.2
73.02943	16.1
76.49178	1.5
80.96523	1.5
83.01391	8.4
85.02945	26.6
87.00859	2.6
89.02446	16.9
91.38791	1.4
92.08792	1.3
95.01402	3.6
97.02934	2.3
99.00862	7.0
99.04487	3.3
101.02440	40.6
103.00375	2.1
111.00856	3.5
113.02442	31.5
119.03491	3.3
125.02426	9.6
137.30849	1.5
141.01959	2.0
143.03467	5.3
152.43967	1.8
159.03030	3.7
161.04561	6.6
183.13811	2.4
259.06158	10.1
287.05563	2.6
331.24960	3.0
377.25525	3.2
481.26477	2.3
493.29907	2.4
521.29724	82.1
539.30780	51.4
565.31726	2.2
581.31848	100.0
625.15540	3.0
625.25122	7.3
625.34637	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	627.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04029	0.4
55.21019	0.4
56.71630	0.4
78.95901	2.3
107.03636	0.9
131.65866	0.6
133.01544	10.3
134.04729	0.8
150.04218	100.0
151.04549	1.0
195.05991	0.5
283.08719	0.9
344.04031	44.2
432.75168	0.6
627.14728	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	627.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00730	0.4
51.72466	0.4
66.57198	0.5
92.23079	0.5
101.05136	0.5
108.02165	20.8
108.02874	1.1
109.02951	5.2
119.05010	1.2
151.04005	1.1
152.01143	34.9
153.01929	27.6
163.03998	6.8
285.06183	100.0
341.08801	1.1
627.17334	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27351	0.5
52.63862	0.6
54.41204	0.5
57.03443	5.1
57.76175	0.5
59.01373	4.3
71.01376	2.8
72.99312	1.4
74.02991	0.7
75.60999	0.7
84.93880	3.0
85.46445	0.6
88.14098	0.7
99.04534	6.2
99.92581	10.3
100.93356	20.2
109.49835	0.7
115.92074	9.6
116.92852	100.0
123.35762	0.6
125.02430	2.6
126.94937	1.4
127.00427	0.6
141.93579	0.8
142.94382	2.6
147.97176	0.7
154.94447	3.5
166.94287	0.8
170.93933	8.9
175.03201	0.7
184.95500	1.6
198.93452	0.8
212.94989	0.8
237.39961	0.7
273.94211	1.5
277.21674	2.9
565.20892	0.9
583.31702	1.2
609.20135	7.9
627.21234	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	627.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13726	0.5
57.03460	7.1
57.69493	0.6
59.01384	7.0
61.98834	0.7
67.63278	0.6
68.99544	1.4
71.01360	1.4
72.99284	0.8
92.66812	0.6
99.00865	0.7
99.04524	9.9
99.91980	0.8
99.92584	14.2
100.92819	0.7
100.93359	12.4
101.02435	0.9
112.98539	3.1
115.92068	23.3
116.92854	100.0
125.02398	4.2
125.25008	0.6
126.94870	0.6
135.92125	0.7
142.94397	2.9
154.94362	0.9
156.95918	1.6
170.93935	7.9
184.95448	2.9
192.16673	0.7
212.94951	1.0
213.20374	0.7
267.98947	0.7
277.21628	3.3
298.64023	0.7
300.30777	0.8
530.31854	0.7
565.21375	0.9
583.31165	1.5
609.20020	8.8
627.21033	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	627.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82439	0.6
57.03445	0.9
59.01380	1.1
71.01385	1.0
72.98856	0.7
85.02962	1.1
94.16341	0.7
99.00874	0.8
108.02167	16.0
109.02957	8.3
118.97246	0.8
119.09684	0.7
124.36299	0.7
125.46335	0.8
150.53822	0.7
151.04053	0.8
152.01143	100.0
153.01918	5.0
163.03983	3.2
165.12856	6.5
170.28479	0.7
176.32597	0.7
183.13904	19.3
227.12946	1.6
241.07158	1.6
281.92328	0.8
285.06293	0.8
297.62885	0.7
374.15735	0.8
399.09344	8.0
417.10455	5.4
627.23010	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	627.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23455	0.7
50.97786	0.6
57.03444	5.7
59.01382	7.7
94.02350	0.7
99.04520	8.8
109.58471	0.8
116.92815	1.6
122.06091	5.0
125.02409	1.8
134.06131	7.9
138.86389	0.7
151.36096	0.7
160.06372	1.4
213.08469	1.2
213.10350	12.2
215.11909	3.4
225.10342	0.9
226.11064	1.1
239.12001	6.0
241.13484	10.8
267.11319	0.9
282.10144	4.5
285.12454	21.5
327.05823	1.0
338.68271	0.9
341.11221	4.4
359.16476	1.7
360.17285	14.1
376.16867	7.8
449.16345	3.6
463.17828	3.3
464.18512	11.1
465.19406	3.5
466.19998	1.8
467.21078	1.3
478.20370	1.7
479.20956	27.1
480.21597	1.3
493.22534	1.2
505.22903	1.2
517.18829	1.2
533.22144	1.5
538.22296	7.9
539.23212	8.9
551.23120	5.3
583.31525	2.1
595.22174	7.6
621.98523	1.0
627.24677	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91425	1.4
57.03449	8.8
58.99323	1.8
59.01377	10.6
65.38653	1.3
66.38087	1.3
77.97449	1.4
82.48524	1.5
94.50934	1.3
99.04513	13.6
99.92588	1.7
116.92852	13.2
122.06078	6.5
125.02433	3.7
126.13638	1.7
134.06111	8.0
155.00156	1.6
160.06438	2.1
172.53687	1.9
213.10294	5.9
213.94370	1.9
239.11896	6.3
241.13441	10.5
282.10034	6.2
283.10779	1.8
285.12399	20.2
341.11575	3.1
345.14926	2.7
360.17093	17.0
449.16101	2.4
463.17743	2.6
464.18649	11.8
479.20972	28.9
505.22433	1.8
538.22437	10.4
539.23260	7.2
595.22290	2.7
627.24695	100.0
649.65674	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	627.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.6
56.75123	0.5
57.03442	3.8
58.57910	0.5
59.01105	1.1
59.01384	23.1
61.98821	3.6
71.01382	18.1
72.99306	1.6
73.02931	1.6
75.00866	8.0
79.58176	0.6
83.01373	0.8
85.02947	20.1
87.00873	8.1
89.02441	8.2
91.03996	0.7
95.01391	4.4
99.00878	9.0
99.04499	2.9
101.02450	5.0
103.00381	4.8
111.00833	0.8
113.02444	53.6
115.00365	0.8
117.01915	1.5
125.02399	0.9
129.01901	2.8
131.03482	1.3
165.67494	0.7
167.62738	0.6
175.02466	2.5
180.63530	0.6
193.03535	0.9
205.07201	1.2
207.05083	2.7
249.06148	11.3
267.07227	100.0
273.87088	0.8
291.07275	3.4
335.06284	17.1
523.36438	1.0
567.34015	1.4
627.25098	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	627.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54909	3.6
55.87041	3.7
56.99144	3.5
57.03452	89.1
59.01383	98.0
82.76320	4.2
86.00082	9.0
95.41479	4.4
99.04507	100.0
101.02441	23.1
125.02416	62.3
127.05568	5.5
134.03729	46.9
141.57219	5.3
144.93506	5.2
193.05061	45.7
196.14758	4.6
221.19055	5.4
306.84396	4.9
325.56085	6.0
401.28250	5.8
481.24478	11.8
530.02771	5.4
583.27600	19.7
627.29755	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	627.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.0
57.03455	30.0
59.01107	1.2
59.01382	24.0
71.01382	20.8
73.02940	12.9
76.84632	1.0
83.01379	6.8
85.02950	14.1
87.00876	1.8
89.02427	2.8
92.22451	1.4
95.01384	1.4
99.00878	6.3
99.04496	16.2
101.02440	40.7
111.00890	5.3
113.02446	16.8
125.02414	14.0
138.56107	1.2
141.01871	1.3
143.03548	2.2
159.03000	4.7
161.04561	6.8
193.65508	1.1
202.53369	1.2
266.53622	1.2
303.18134	2.0
321.19232	16.3
465.23206	11.1
483.24548	80.0
501.83072	1.6
525.25720	13.2
627.28827	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	2.6
57.03447	4.8
59.01380	64.2
61.41209	1.7
61.98848	3.3
63.99240	1.7
69.03458	2.0
71.01379	71.2
73.02940	43.0
75.00893	2.5
81.03442	2.1
83.01385	14.3
85.02948	36.6
87.00854	25.9
89.02428	29.6
92.23142	3.9
95.01367	3.4
97.02933	3.5
99.00874	17.0
99.04512	4.1
101.02439	98.6
110.03695	2.0
113.02446	44.8
115.04002	2.0
119.03462	3.8
123.04474	4.0
125.02438	9.9
125.06082	5.1
127.58731	2.2
131.03476	8.6
139.04001	3.0
143.03511	4.9
159.03006	3.4
161.04553	27.7
243.40224	2.3
267.07224	8.5
275.08487	2.2
291.18140	33.6
387.20187	4.0
405.21091	4.3
423.22455	46.5
447.22290	2.3
516.27667	4.7
567.26599	80.8
585.27734	66.0
627.28827	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	9.3
59.01102	1.6
59.01379	35.0
71.01373	16.7
73.02946	10.9
76.65391	1.1
81.71992	1.1
83.01389	1.1
85.02946	2.5
87.13911	1.0
89.02434	15.6
93.48743	1.1
94.98106	1.5
99.04522	12.5
101.02435	25.1
113.02422	11.3
119.03479	6.2
125.02434	9.0
161.04523	7.6
184.80823	1.1
195.87080	1.2
210.17532	1.2
221.06578	1.3
251.65831	1.4
281.15497	2.7
281.68567	1.2
340.22705	1.2
365.10855	10.8
368.87473	1.3
447.29370	1.5
466.13596	1.4
609.34454	4.2
612.32690	2.4
627.35468	100.0
647.26172	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	627.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40974	1.1
57.03450	7.1
59.01384	66.2
71.01398	1.8
73.02949	7.2
77.26762	1.1
83.05025	2.2
86.72037	1.3
87.04507	1.8
97.06564	1.8
99.04506	3.2
109.06611	1.4
123.08159	1.4
130.45792	1.2
147.11803	6.7
153.09209	1.4
155.10718	1.4
167.10670	1.6
232.77527	1.4
357.22711	1.6
411.63303	1.6
510.98233	1.9
523.36432	100.0
583.38556	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	627.376
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86897	0.9
57.03454	13.5
59.01101	2.1
59.01383	47.4
65.82329	1.0
71.01349	4.2
73.02940	18.1
81.89872	1.2
83.05026	8.3
85.02933	1.5
87.04498	2.0
92.23177	2.0
99.04517	12.2
101.02437	2.1
111.08152	1.6
125.02428	5.4
129.25377	1.1
133.10245	4.8
137.09741	2.3
139.11310	1.6
141.09198	1.4
149.09723	1.3
151.11295	2.0
153.09367	1.4
155.10703	1.4
185.73145	1.3
187.13326	1.4
234.82881	1.4
294.57953	1.1
378.12546	1.4
383.51907	1.2
404.23257	1.4
407.28241	2.0
425.29300	1.3
505.35345	2.0
523.36432	100.0
541.26422	1.4
583.28320	1.7
583.38489	5.0
627.27380	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	627.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41434	0.4
55.19170	0.3
56.54922	0.4
57.03445	0.4
58.71663	0.4
59.01378	0.5
61.98832	100.0
69.45118	0.3
71.01373	0.4
85.78056	0.4
85.87029	0.4
94.60984	0.4
227.54112	0.4
306.58951	0.4
362.45374	0.4
366.21466	0.4
567.42169	1.9
627.29218	1.8
627.40814	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	627.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45176	1.0
59.01381	76.2
61.98815	1.4
62.46741	1.0
71.01366	6.2
72.60300	1.0
73.02954	4.1
85.02946	5.3
94.81169	1.0
99.00904	1.2
101.02449	10.4
113.02441	6.0
118.40844	1.0
158.60367	1.1
161.04535	5.0
195.13948	12.0
196.14738	2.6
223.13368	8.5
275.20111	8.8
291.18167	100.0
293.21252	86.2
335.35196	1.2
567.38953	1.8
627.09723	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	627.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46268	0.5
57.03751	0.5
59.01386	100.0
74.75502	0.5
168.78984	0.6
235.17006	0.9
275.20129	2.9
277.21664	1.3
291.18106	0.9
293.21240	7.2
627.41193	0.7
641.30225	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11106	0.4
62.75062	0.5
69.06708	0.5
79.18369	0.6
99.00896	0.6
127.05378	0.6
147.68816	0.5
181.64034	0.6
186.68863	0.6
197.11813	0.7
214.42198	0.5
215.12868	0.9
242.16780	0.6
244.83052	0.6
269.24872	100.0
338.46545	0.5
527.39789	2.4
544.92896	0.6
553.42773	1.1
627.46405	10.7
649.75854	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
60.70889	0.5
61.74159	0.5
73.02946	2.2
81.30913	0.6
92.22452	1.2
94.79307	0.6
97.01693	0.6
99.45713	0.6
120.99142	0.6
127.16614	0.6
163.17982	0.5
165.58482	0.7
177.48221	0.6
186.05173	0.6
251.27463	0.6
330.79196	0.7
363.63940	0.7
441.19720	1.1
453.19559	1.3
467.21048	2.8
481.19150	4.0
482.20087	0.8
483.16418	0.8
493.19028	1.4
494.19324	5.9
496.17551	8.1
496.79791	0.8
497.18231	19.2
498.19257	3.2
499.19864	1.1
509.22388	6.3
514.18536	2.9
520.17548	1.2
524.16760	8.4
528.16797	3.1
530.18347	4.5
535.19629	0.8
539.19019	1.5
553.21582	0.8
555.19360	0.7
569.20557	0.8
570.20972	0.8
629.22620	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.0
59.01375	1.2
61.64754	0.4
70.20812	0.4
73.02930	2.0
74.92568	0.4
96.09663	0.5
99.04490	0.8
220.31358	0.5
324.98206	0.6
441.19690	0.6
453.19333	0.7
466.20023	1.1
467.20749	0.9
469.22357	1.6
481.18103	3.6
482.14917	3.8
483.16705	1.0
494.19760	3.1
496.17535	13.2
497.18216	21.2
498.18869	0.6
509.21912	3.2
510.19406	2.0
513.17999	0.7
514.14697	0.7
524.17035	14.9
526.18585	1.1
528.16467	5.0
530.21240	3.3
535.20264	0.5
539.19202	0.7
541.17487	1.1
553.21136	1.2
554.18359	0.6
556.19556	0.9
569.20685	1.8
574.20404	0.7
629.22632	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29088	1.2
54.33686	1.2
54.46867	1.2
54.80125	1.2
57.03454	12.7
58.00312	1.0
59.01398	14.8
59.01632	1.8
60.09303	1.2
67.21799	1.1
99.04510	20.5
99.92565	16.1
100.93345	16.0
115.92070	19.7
116.92855	100.0
125.02454	6.5
142.94411	3.2
170.93941	10.0
184.95439	1.6
279.23303	2.7
585.32928	1.9
611.21783	8.4
629.22974	78.4
629.32806	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	629.228
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16358	2.2
57.71114	2.5
69.84982	2.2
99.92582	14.8
100.93345	11.3
115.92046	23.5
116.92854	100.0
119.18098	2.9
126.16948	2.4
126.28568	2.8
155.11133	2.6
170.93927	5.0
187.09846	3.1
230.06227	2.6
255.23338	3.0
269.78772	2.8
279.23282	5.4
325.19711	2.7
337.22864	3.5
406.25797	3.3
589.27228	2.8
611.21436	5.5
629.22821	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	629.239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.28636	1.4
67.20486	1.2
74.17440	1.2
79.97491	1.2
97.40288	1.5
98.35773	1.5
126.07024	1.1
164.76897	1.6
166.22290	1.5
206.05341	1.5
304.13586	1.4
375.37323	1.5
393.80469	1.4
453.20575	3.1
460.19272	3.3
469.23795	9.5
474.19876	12.0
485.23456	1.8
493.20160	2.4
494.21051	3.1
507.22250	10.8
512.22461	2.3
513.22791	45.6
517.22229	2.3
520.19098	2.1
535.21143	26.0
553.22552	5.1
569.22107	6.0
611.22778	5.6
629.23895	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	629.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	5.9
59.01373	6.1
61.98833	0.6
63.49168	0.7
71.01387	0.7
72.83767	0.7
78.82780	0.8
82.66431	0.7
93.03452	21.2
99.04539	5.7
125.02407	1.7
132.36195	0.8
136.04031	1.7
137.02441	100.0
585.25488	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	629.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03160	2.1
57.03449	63.1
59.01099	2.8
59.01382	61.7
71.01376	8.6
73.02943	24.9
79.90370	1.7
81.03457	2.4
89.02406	2.8
96.95982	2.0
99.04511	100.0
101.02434	24.1
113.02438	4.0
125.02431	67.5
143.03468	8.5
161.04599	2.9
179.07150	38.2
180.07909	69.6
195.13969	2.1
203.05673	9.4
237.14919	2.2
366.13040	2.1
385.14996	2.4
426.15494	12.8
541.26733	7.2
566.14215	2.6
585.25275	16.0
629.24841	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	629.316
Annotation	Unknow
Peak:m/z	Relative Intensity
79.32822	1.1
87.05646	1.7
88.04033	47.4
89.02462	1.4
92.94592	1.1
96.95986	1.7
110.14516	1.1
116.07153	1.8
127.05106	2.2
128.03546	10.1
128.87854	1.2
129.05705	1.7
129.06683	29.5
134.83841	1.1
137.07190	5.1
138.09319	1.2
140.31348	1.2
144.07813	2.1
155.08220	2.9
165.10281	2.3
166.08710	16.3
171.10258	6.5
172.10864	1.4
182.12973	1.5
183.11389	2.9
187.10785	5.2
189.07680	5.2
193.13416	1.3
209.09343	30.2
216.22591	1.4
224.14047	6.0
225.13477	4.6
227.10382	5.1
236.14291	1.2
243.14619	1.7
254.15034	10.3
267.14664	18.9
285.15811	10.3
286.14075	4.4
298.14172	21.3
397.13452	1.6
439.21808	2.0
452.25165	1.4
569.24902	2.7
585.28839	16.1
629.31567	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50975	0.4
57.03442	1.9
58.00595	0.9
59.01381	68.2
71.01377	33.6
72.99311	0.9
73.02938	1.0
83.01404	2.3
85.02944	5.4
87.00867	0.9
89.02435	45.8
95.01382	3.2
99.04532	2.3
101.02439	23.9
113.02443	15.7
119.03490	14.3
125.02484	0.7
131.03535	0.6
134.00159	0.5
143.03529	1.2
149.04558	0.7
149.26289	0.6
161.04579	2.3
179.05615	12.3
180.18036	0.5
227.99629	0.6
300.59613	0.6
449.30649	4.8
467.31613	0.8
524.02826	0.6
629.37048	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.241
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53528	0.4
57.03452	16.2
58.02977	10.3
59.01379	12.6
66.51911	0.3
70.02976	7.3
72.00910	0.8
75.51784	0.4
87.53688	0.4
91.05521	8.3
91.06058	0.4
92.47840	0.4
99.04505	16.7
100.85892	0.4
101.02437	5.1
117.90663	0.3
125.02435	6.6
139.78368	0.4
143.03534	0.6
147.04517	17.0
147.05605	0.7
161.04507	0.4
162.09242	0.5
164.07175	81.2
182.70276	0.5
206.08232	100.0
231.35977	0.4
235.11859	5.1
243.07574	0.5
250.07249	3.7
270.06458	1.5
277.12946	5.2
278.60440	0.4
285.08801	8.8
317.11441	0.7
317.15967	0.6
379.11441	5.4
379.16016	31.7
396.05371	0.4
407.10199	0.4
427.89587	0.5
630.32581	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80948	1.0
57.03447	19.9
58.02976	10.3
59.01381	11.4
66.23555	1.0
70.02977	7.4
80.62220	1.0
91.05536	8.6
92.22689	5.1
92.23215	1.0
99.04518	20.3
101.02450	7.8
114.47396	1.3
125.02442	6.2
147.04533	17.6
164.07173	82.8
168.77773	1.1
195.06859	1.1
206.08237	100.0
225.78070	1.5
235.11902	6.0
250.07243	4.7
277.12915	5.7
379.16074	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	631.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52230	1.2
57.03450	48.2
57.08346	1.4
59.01382	100.0
71.01379	8.5
73.02937	3.2
82.40864	1.3
85.02943	2.3
89.02437	2.1
99.04507	84.3
101.02439	10.6
113.02444	10.5
125.02430	54.1
143.03487	2.1
145.09425	1.5
156.52972	1.6
159.11763	6.0
159.39600	1.5
177.12863	12.5
195.13892	3.0
221.11836	2.1
239.10770	1.6
239.12872	12.0
253.58760	1.5
383.16934	14.2
391.06018	1.7
425.18060	12.2
443.19272	45.3
485.20316	36.4
525.23352	2.1
543.24475	17.6
587.23529	51.4
631.22980	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	631.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51854	0.8
51.58736	0.9
51.59781	0.9
56.16970	1.0
57.03450	47.0
59.01381	100.0
65.14371	1.0
71.01379	14.0
73.02943	10.1
81.03436	1.4
83.01369	1.7
85.02931	4.1
87.00872	1.7
89.02450	5.8
90.08445	1.2
96.95988	2.4
99.04510	69.4
101.02438	20.4
113.02430	11.1
125.02438	41.6
137.09796	1.5
143.03505	4.7
143.91481	1.0
155.57945	1.1
159.11787	11.2
161.04570	4.2
165.09166	1.7
175.11314	1.4
177.12814	13.0
195.13937	8.0
221.11758	1.5
221.87819	1.1
239.12822	15.4
240.82477	1.4
277.09207	2.4
383.17078	17.8
401.18155	5.3
425.18192	13.3
443.19238	67.8
485.20282	32.6
543.24438	11.1
587.23578	44.9
631.22388	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	631.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52230	1.2
57.03450	48.2
57.08346	1.4
59.01382	100.0
71.01379	8.5
73.02937	3.2
82.40864	1.3
85.02943	2.3
89.02437	2.1
99.04507	84.3
101.02439	10.6
113.02444	10.5
125.02430	54.1
143.03487	2.1
145.09425	1.5
156.52972	1.6
159.11763	6.0
159.39600	1.5
177.12863	12.5
195.13892	3.0
221.11836	2.1
239.10770	1.6
239.12872	12.0
253.58760	1.5
383.16934	14.2
391.06018	1.7
425.18060	12.2
443.19272	45.3
485.20316	36.4
525.23352	2.1
543.24475	17.6
587.23529	51.4
631.22980	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	631.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33590	0.4
59.33518	0.4
92.22525	0.6
92.92818	0.5
98.45736	0.4
99.92584	4.5
100.15575	0.4
105.82306	0.4
116.92854	100.0
117.01991	0.8
125.88155	0.5
205.17769	0.5
249.40005	0.6
287.95853	0.5
288.09579	0.4
301.96921	0.4
325.07370	0.5
334.91257	0.5
368.46548	0.5
493.93539	0.5
512.62939	0.6
528.72858	0.5
532.14331	0.5
571.22955	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04440	0.4
67.46497	0.4
80.52500	0.4
92.23265	0.5
92.92947	0.4
99.92572	3.1
116.92854	100.0
116.97259	0.8
117.76741	0.5
148.17749	0.4
166.61728	0.4
571.22546	0.8
655.24481	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79277	0.9
57.03450	58.7
59.01101	2.2
59.01380	41.8
61.98838	1.8
70.45496	1.0
71.01383	6.8
73.02942	13.5
73.72614	1.0
81.03470	2.0
83.01377	1.5
84.66447	1.0
99.04511	97.5
101.02436	26.5
101.06066	2.5
106.45587	1.1
113.02470	4.8
125.02437	68.9
140.08437	10.3
143.03505	8.9
154.69553	1.2
161.04535	2.5
178.39795	1.1
183.13853	1.4
197.15477	100.0
202.37090	1.2
203.05663	5.2
219.79845	1.2
221.15456	13.9
239.16527	41.2
261.58737	1.0
409.00955	1.2
425.22028	1.2
543.28247	7.7
587.26538	11.3
615.68597	1.2
631.26532	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	631.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79277	0.9
57.03450	58.7
59.01101	2.2
59.01380	41.8
61.98838	1.8
70.45496	1.0
71.01383	6.8
73.02942	13.5
73.72614	1.0
81.03470	2.0
83.01377	1.5
84.66447	1.0
99.04511	97.5
101.02436	26.5
101.06066	2.5
106.45587	1.1
113.02470	4.8
125.02437	68.9
140.08437	10.3
143.03505	8.9
154.69553	1.2
161.04535	2.5
178.39795	1.1
183.13853	1.4
197.15477	100.0
202.37090	1.2
203.05663	5.2
219.79845	1.2
221.15456	13.9
239.16527	41.2
261.58737	1.0
409.00955	1.2
425.22028	1.2
543.28247	7.7
587.26538	11.3
615.68597	1.2
631.26532	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	631.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15629	0.9
54.85184	1.2
56.26805	1.0
63.66298	1.2
71.04218	1.2
75.78761	1.3
80.76126	1.2
83.14690	1.5
91.42373	1.1
92.23076	2.7
137.62778	1.2
234.37697	1.1
328.92557	1.6
358.47763	1.3
445.24039	2.1
457.24014	2.4
459.21704	1.4
469.24307	1.4
470.20908	2.0
471.21909	71.7
485.23474	31.6
486.24271	1.9
498.20706	15.3
513.22998	100.0
515.20898	1.7
530.23242	31.8
545.25623	86.6
555.24854	13.1
587.28375	2.2
589.24786	15.2
599.24072	2.6
631.26855	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	631.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10760	1.2
55.91311	1.2
59.85991	1.2
66.45949	1.2
76.40739	1.4
78.95896	2.8
110.98526	7.9
152.99551	3.4
165.12822	16.7
167.01115	2.3
183.13905	19.3
201.14999	2.2
227.12894	1.7
277.21735	43.4
279.23376	2.1
395.14816	9.6
443.22241	1.8
470.21225	2.4
471.21991	69.2
485.23633	31.4
486.24506	2.6
498.20941	11.4
499.22235	3.7
500.64182	1.9
513.22974	100.0
530.23242	25.4
545.25696	74.2
545.32098	1.4
555.25372	14.6
587.27808	2.9
589.24518	16.6
599.23859	3.7
631.26764	11.1
631.36768	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	631.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75829	1.1
57.03452	81.2
58.73049	1.1
59.01385	73.3
71.01381	10.0
73.02941	5.2
81.03474	1.4
85.02947	2.1
89.02444	10.7
99.04514	100.0
101.02441	29.8
113.02452	9.5
115.79190	1.3
119.03480	2.7
121.02978	2.5
125.02435	47.0
137.78268	1.2
143.03479	5.5
154.68356	1.4
161.04588	4.8
178.07080	1.1
179.05750	1.2
442.12857	1.3
469.31604	3.0
487.32901	11.8
529.33972	20.0
587.38263	4.8
600.20142	2.3
612.40436	1.5
631.37250	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	631.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.7
57.03451	10.5
58.00586	0.9
59.01382	95.6
71.01379	51.0
72.99293	2.5
73.02930	3.1
83.01386	1.3
85.02936	10.2
87.00851	1.0
87.37476	0.5
89.02435	60.7
95.01386	3.8
99.04507	9.6
101.02446	31.3
113.02446	23.1
119.03495	23.2
125.02444	5.0
136.73370	0.8
139.36029	0.7
139.92009	0.7
143.03502	3.8
149.04523	1.1
161.04588	5.4
177.72430	0.8
179.05606	19.2
280.42563	0.7
451.32205	1.5
487.06448	7.4
529.07074	2.3
587.31165	0.9
595.37573	1.3
613.37482	3.4
631.10541	3.2
631.38660	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.8
59.01375	1.4
61.98819	0.6
67.33064	0.7
71.01375	4.3
71.50976	0.6
72.99306	0.7
73.48186	0.6
75.00457	1.0
75.00865	22.2
80.11890	0.6
82.06244	0.6
83.01409	0.8
85.02942	30.5
87.00853	1.1
87.61967	0.7
95.01359	1.0
99.00864	1.3
112.01659	0.7
113.02446	27.0
113.69154	0.7
115.00345	1.3
116.01141	2.8
117.01981	0.7
140.60359	0.7
144.90712	0.7
157.01414	2.8
175.02475	0.9
291.49719	0.7
407.33264	5.3
442.01654	0.7
455.35403	1.3
631.38605	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60943	0.5
59.01382	100.0
62.47256	0.6
63.68169	0.7
73.23605	0.7
99.64080	0.7
125.76974	0.7
130.28874	0.7
149.09715	35.6
260.37955	0.6
277.21759	7.0
301.35483	0.8
385.47128	0.7
631.38702	3.8
652.93622	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61050	1.1
54.37399	1.2
56.12263	1.0
56.29338	0.9
57.03445	1.2
59.01384	100.0
59.55553	1.0
63.66641	0.9
63.69729	1.3
78.29140	1.2
85.02902	1.1
89.55965	1.1
90.50954	1.1
92.89163	1.1
99.04542	1.7
116.92851	32.4
174.79503	1.2
176.46295	1.6
392.31403	1.4
631.41833	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	631.4909
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49752	0.4
54.88828	0.4
58.62885	0.4
61.98833	100.0
67.18253	0.4
72.97647	0.5
77.84478	0.5
79.23943	0.4
294.87314	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
69.01540	0.3
70.21398	0.3
87.60477	0.4
92.23086	0.4
163.05766	0.3
165.48975	0.3
198.15610	0.3
206.99196	0.3
210.82637	0.4
220.95045	0.3
238.33115	0.4
244.90370	0.4
297.25272	0.4
490.64468	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90787	0.7
59.01360	1.1
62.05691	0.7
77.77293	0.9
86.50550	0.8
87.23934	0.8
89.79617	0.9
117.83256	0.8
124.66974	0.9
135.71738	0.9
151.39439	0.7
153.33096	0.7
165.12827	5.5
183.13896	7.5
262.73099	0.9
277.21744	100.0
395.14838	1.8
621.67871	0.9
631.36273	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	633.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	8.8
59.01372	5.1
59.35242	1.0
82.18882	1.3
92.23034	1.5
96.96007	11.5
99.04504	11.8
118.76969	1.3
125.02412	8.6
136.40799	1.2
180.26756	1.5
191.38496	1.3
193.37930	1.5
203.76814	1.3
227.03835	1.3
255.03021	10.4
269.04620	6.8
283.02524	100.0
283.06021	10.1
284.03354	13.2
297.03961	1.5
298.04840	71.5
299.05661	23.1
545.13019	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	633.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	5.1
59.01377	2.3
61.24442	0.9
62.35641	0.9
92.22459	2.1
96.95974	1.8
99.04537	7.6
100.69503	1.0
118.20455	1.0
121.49408	1.0
125.02426	5.3
159.24182	1.0
161.99612	1.1
227.03499	5.3
228.04216	1.7
243.06639	1.5
243.95694	1.0
255.02983	22.3
256.03763	6.2
261.35855	1.1
269.04355	1.8
271.06052	3.8
283.02490	95.0
284.03296	41.7
298.04840	58.7
299.05630	100.0
335.36530	1.4
383.04742	1.1
445.13898	2.5
465.13382	1.2
487.14526	1.1
545.13031	81.6
589.17633	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	633.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34261	0.1
54.82249	0.1
56.49564	0.1
58.67154	0.1
62.06769	0.2
67.84152	0.2
105.92900	0.2
110.73222	0.2
114.16240	0.2
125.85027	0.2
161.73639	0.2
214.50851	0.2
240.44464	0.2
268.03790	44.8
283.06140	100.0
350.45175	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	633.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	5.0
71.01352	2.6
71.23759	0.9
72.99303	16.3
75.27335	1.1
79.13899	1.2
81.05659	1.0
85.02957	1.1
89.02433	1.6
99.00864	1.5
101.02415	2.3
103.74280	1.1
113.02455	1.7
119.05012	74.7
134.03737	32.6
135.04501	4.5
145.02937	4.9
149.06123	10.0
155.25383	1.1
160.01631	9.1
161.02486	1.5
162.03278	1.6
163.04008	100.0
175.04016	20.7
178.02710	9.0
179.03493	4.2
193.05052	34.1
264.41898	1.1
343.64130	1.1
371.05270	1.2
386.21634	1.1
411.16583	4.1
439.12427	13.3
448.45517	1.0
457.13599	47.2
517.19775	1.6
573.28729	1.4
630.24158	1.4
631.03235	1.2
633.18250	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	633.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86707	1.0
57.03450	39.1
59.01383	100.0
63.87594	1.2
71.01371	6.9
72.53730	1.2
73.02957	2.1
83.80376	1.3
85.02940	5.4
99.03896	2.6
99.04516	58.1
99.05157	1.9
99.96105	1.4
101.02438	18.3
113.02458	8.5
114.49429	1.6
125.02432	45.6
138.66278	1.6
143.03491	3.2
166.39203	1.6
181.37175	1.5
189.40488	1.4
210.26479	1.6
251.30139	1.4
273.53998	1.5
349.26505	1.7
385.18683	39.7
403.19797	24.1
426.69647	1.5
427.19583	13.5
445.20847	70.2
445.27075	2.8
454.48230	2.0
463.57663	2.0
487.21909	33.9
507.24146	1.5
533.68329	1.9
545.26074	21.6
573.28925	2.0
589.25024	49.3
633.23962	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	633.2596
Annotation	Ansamitocin P-3
Peak:m/z	Relative Intensity
56.36722	0.6
59.44660	0.6
92.00768	0.7
98.32492	0.6
99.92581	2.9
111.14521	0.6
116.92855	100.0
279.23340	1.2
633.41315	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2592
Annotation	Ansamitocin P-3
Peak:m/z	Relative Intensity
50.85975	1.0
53.81866	1.0
57.03439	1.2
77.69145	1.1
81.76759	1.1
99.04516	1.9
102.46089	1.2
116.92847	100.0
255.60387	1.5
265.76208	1.3
340.80881	1.3
478.56464	1.2
522.00085	1.3
603.98633	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	633.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74137	0.5
50.85343	0.6
51.26434	0.5
54.96693	0.6
58.41453	0.6
72.31413	0.6
72.99305	20.3
82.57019	0.7
96.95950	1.3
100.04822	0.7
115.23692	0.6
123.04510	5.0
135.04512	4.0
179.03514	25.8
193.21873	0.7
197.04568	100.0
359.09863	63.2
453.15625	0.7
466.43262	0.7
469.24423	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84555	1.0
59.01382	100.0
59.09171	1.2
71.01376	34.6
73.02936	22.8
73.28537	1.5
74.02465	4.8
75.86217	1.1
83.01381	5.3
85.02934	15.2
87.00886	2.9
89.02442	19.7
95.01365	4.7
99.00890	2.9
101.02430	23.4
113.02439	40.3
119.03491	7.5
124.01620	1.9
125.02439	4.6
143.03546	1.5
161.04584	6.2
165.05655	1.5
203.08282	7.4
225.15152	1.6
245.09340	9.1
246.09462	1.7
246.78438	1.3
292.70367	1.4
369.19412	1.5
438.82144	1.3
489.15146	1.4
513.23584	26.4
531.24512	35.2
545.11511	6.7
547.21295	1.4
549.25824	4.9
573.25623	48.5
591.26654	36.3
633.28027	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	633.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08990	0.2
57.03448	3.1
58.00584	0.4
59.01384	21.1
60.66982	0.4
68.53609	0.3
68.80982	0.3
71.01382	12.6
73.02943	2.5
83.01370	1.9
85.02941	4.2
89.02440	10.1
95.01366	1.7
96.96042	0.3
99.00907	0.5
99.04514	3.5
101.02443	12.4
113.02450	6.3
119.03477	3.7
125.02412	2.7
143.89893	0.3
144.01065	0.3
154.76111	0.3
181.69250	0.3
183.13858	0.4
238.38379	0.4
295.66434	0.3
339.19766	0.4
342.18762	0.4
351.31641	0.4
353.21152	0.6
419.29453	0.4
421.27444	1.9
422.28076	1.6
435.29114	6.1
437.30862	6.8
453.30426	3.6
455.31744	0.7
489.06323	0.7
597.34192	1.7
600.33179	1.2
615.35449	20.3
633.36536	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48862	1.4
57.03448	84.7
59.01106	2.9
59.01382	72.2
71.01378	10.3
73.02934	7.2
75.69866	1.5
85.02934	7.2
92.22510	3.3
99.04510	100.0
101.02435	31.3
106.73655	1.8
113.02446	6.8
125.02419	45.7
143.03456	2.9
149.47717	1.8
152.27405	1.8
162.89127	1.8
165.61996	1.9
169.44247	1.8
173.30991	1.8
213.18517	1.8
282.51529	1.8
353.93799	1.7
471.33276	33.9
489.34399	47.4
531.35358	23.5
571.38428	2.6
589.39685	2.8
633.38745	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	633.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	100.0
59.01105	4.1
59.01385	92.4
61.98842	3.2
71.01377	22.9
72.74041	2.5
76.32053	2.3
85.02932	2.8
89.02443	22.6
99.04514	99.4
101.02438	37.3
113.02448	15.9
115.11745	2.4
119.03466	11.7
125.02430	51.7
143.03552	3.3
172.45416	2.7
179.05574	3.6
248.68243	2.9
447.84103	2.9
471.33755	7.0
489.34326	28.1
531.35559	22.6
552.50964	2.8
633.38904	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	633.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	94.0
59.01106	3.8
59.01384	80.2
64.49387	1.7
71.01401	13.9
73.02940	4.0
85.02940	2.7
86.38941	2.2
87.78410	2.0
89.02444	25.1
99.03893	4.0
99.04517	96.4
101.02437	37.2
101.49289	1.9
113.02421	10.2
119.03501	11.4
125.02436	38.6
137.76408	2.4
143.03503	7.7
147.71609	1.9
161.04562	3.1
168.41594	2.1
179.05618	3.9
208.28596	1.9
225.47957	2.2
289.50085	2.1
401.69305	2.4
471.33798	13.7
489.34467	39.8
531.35846	17.8
633.38708	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	100.0
59.01382	75.1
61.98820	2.8
71.01053	2.1
71.01384	22.1
73.02934	3.1
80.61153	2.4
81.03442	2.4
88.98801	2.6
89.02452	10.8
96.95970	3.6
99.00874	3.7
99.04514	98.0
101.02422	33.7
113.02415	9.5
125.02425	47.3
143.03510	5.0
226.70628	2.6
471.33420	17.0
486.44498	3.0
489.34497	19.0
531.35541	17.9
589.32257	4.9
633.39001	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	633.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	5.8
59.01382	100.0
66.41047	0.6
71.01376	52.8
72.99309	1.0
73.02953	1.5
73.16348	0.6
77.21003	0.7
81.36654	0.6
83.01385	1.5
85.02953	7.8
87.00878	1.4
89.02438	70.3
94.18623	0.6
94.89729	0.7
95.01374	3.2
99.00877	0.7
99.04500	5.1
101.02440	29.0
113.02448	24.5
119.03490	25.7
125.02453	3.1
131.03510	2.7
143.03528	5.7
149.04539	1.0
159.55521	0.8
161.04539	8.1
179.05615	28.1
191.04813	0.8
193.05116	0.9
257.71909	0.8
282.19168	0.7
293.46429	0.8
379.96536	0.8
460.25775	0.9
489.06296	3.3
589.32843	0.9
633.40314	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	633.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
111.87547	1.4
116.92932	1.8
125.02449	1.4
138.12354	1.3
148.00957	1.3
217.27882	1.4
236.71497	1.4
260.93457	1.6
271.59525	1.4
275.45569	1.6
277.33240	1.5
392.31586	2.0
426.36966	1.5
451.24005	1.5
526.25269	1.4
633.40320	2.1
643.19354	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	633.4016
Annotation	Soyasapogenol B 3-O-D-glucuronide
Peak:m/z	Relative Intensity
55.01865	0.4
57.03442	2.9
59.01373	1.0
64.69066	0.4
71.01378	2.7
72.99291	1.1
75.00869	22.5
79.21349	0.5
83.01392	0.7
85.02945	23.3
87.00862	1.2
95.01401	1.7
99.00824	1.5
113.01659	0.7
113.02442	21.8
115.00371	0.8
115.62888	0.5
116.01131	2.7
157.01427	2.3
160.62286	0.5
175.02309	0.6
374.80249	0.5
457.37247	0.8
506.17065	0.6
545.54053	0.6
633.40192	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4004
Annotation	Soyasapogenol B 3-O-D-glucuronide
Peak:m/z	Relative Intensity
50.24678	0.3
53.25245	0.4
55.01883	0.8
57.03444	2.8
59.01382	15.5
64.07531	0.3
71.01377	50.6
71.69838	0.4
73.02939	6.7
83.01392	3.7
85.02945	33.0
86.00786	0.4
87.00871	2.2
89.02443	9.3
95.00816	0.7
95.01378	12.7
97.02928	0.5
99.00849	3.1
99.04516	0.8
100.05477	0.4
101.02448	9.5
113.02439	68.2
125.02384	0.9
130.92889	0.5
138.10695	0.4
138.51515	0.4
143.03462	1.9
160.23996	0.4
161.04555	8.3
167.23155	0.4
208.71950	0.4
633.40173	100.0
650.02905	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81367	1.1
56.08082	1.1
57.03432	6.1
59.01380	23.5
59.59642	1.1
66.70269	1.1
71.01377	24.2
72.99290	1.2
73.02943	6.7
83.01387	2.9
85.02946	12.0
89.02435	12.1
89.02885	1.1
99.04520	3.0
101.02437	25.9
106.25993	1.2
108.52346	1.4
110.33720	1.1
113.02451	11.0
114.60307	1.4
119.03471	1.4
125.02412	1.7
128.38919	1.3
161.04453	1.7
179.05727	1.6
260.84940	1.3
300.04535	1.7
382.97748	1.2
441.33737	5.4
471.90210	1.4
566.18939	1.5
603.38568	4.2
633.40198	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15940	0.7
57.03455	18.0
59.01103	1.0
59.01382	21.6
71.01370	14.1
73.02936	5.1
80.87144	0.6
83.01381	4.2
85.02932	8.3
89.02444	5.0
92.23123	0.8
99.00856	2.9
99.04512	18.2
101.02443	20.6
113.02464	10.3
119.03497	1.7
125.02428	10.9
136.44933	0.8
143.03506	0.9
146.49033	0.9
159.02919	0.9
176.58904	0.8
216.08089	0.7
296.43347	0.7
427.35852	26.2
471.34259	4.9
489.34412	6.8
531.35217	1.6
557.48065	0.8
589.40686	2.7
633.39990	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71012	0.6
57.21456	0.6
61.98832	100.0
63.55122	0.8
64.46841	0.7
65.36466	0.7
76.84367	0.7
236.87097	0.8
391.32755	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.7
65.00327	0.1
93.03427	0.2
95.76832	0.2
98.68163	0.2
119.38972	0.1
159.33531	0.2
161.99533	0.2
165.01920	2.2
169.11736	0.1
176.23877	0.2
193.04977	0.2
202.29970	0.2
227.03488	0.6
240.04344	0.3
241.04958	0.2
255.03000	8.8
256.03796	1.0
269.04596	1.0
271.06140	2.4
278.31647	0.2
283.02487	100.0
284.03262	5.3
288.64777	0.2
298.04840	92.5
299.05609	10.9
316.19565	0.2
341.06750	0.2
372.18753	0.2
461.11099	1.0
473.11169	0.2
503.12006	0.3
545.52130	0.2
575.14203	2.2
593.15277	1.2
635.16241	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	635.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71876	0.2
59.01361	0.2
63.46484	0.2
70.46190	0.2
75.18523	0.2
83.01384	0.2
85.11362	0.2
90.54908	0.2
95.71984	0.2
107.01348	0.3
110.60793	0.2
151.00375	1.7
157.69566	0.3
178.99821	0.3
199.38106	0.2
202.78731	0.2
203.96330	0.3
211.08763	0.2
224.07309	0.2
227.03510	12.7
229.05075	0.6
244.04608	0.3
255.03004	36.2
256.03802	5.0
257.04562	0.5
283.02365	0.5
284.03287	100.0
285.04056	6.6
327.05157	0.3
345.69232	0.2
350.69531	0.2
620.39551	0.3
635.16241	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	635.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.4
67.37135	0.2
71.01374	0.3
85.02930	0.3
89.02427	0.2
101.02438	0.2
113.02460	0.2
165.01961	2.0
193.01503	0.2
193.70938	0.2
214.97919	0.2
227.03558	0.3
228.04327	0.2
255.03001	9.2
256.03809	1.0
269.04504	1.1
270.05206	0.4
271.06024	2.1
283.02490	100.0
284.03284	5.4
298.04843	89.5
299.05630	11.3
341.06772	0.4
381.92587	0.2
446.53912	0.2
485.11087	0.3
497.67700	0.3
503.11984	0.2
575.14111	0.9
575.30670	0.4
593.15088	0.3
635.16254	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	635.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25927	0.1
57.03442	1.5
59.01380	0.8
65.00323	0.2
89.02415	0.3
93.03452	0.2
99.04506	1.6
125.02438	0.8
165.01927	2.0
173.88710	0.2
187.29488	0.2
207.48398	0.1
227.03572	0.7
255.00320	0.3
255.02995	9.2
256.03781	0.8
269.04611	1.2
271.06137	2.2
283.02487	100.0
284.00128	0.2
284.00723	0.1
284.03262	5.4
298.04837	87.2
299.05621	10.2
341.06638	0.6
353.06647	0.6
447.13586	0.6
485.10641	0.2
486.87106	0.2
503.11871	0.6
575.13983	0.2
591.17987	0.3
593.15063	0.2
635.16235	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	635.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52163	0.9
57.11132	1.0
57.22170	1.1
58.27136	1.1
60.85633	1.1
64.32785	1.2
65.55138	1.0
91.01870	1.2
95.93536	1.4
95.94164	1.5
96.96012	1.4
113.70533	1.4
119.04995	21.1
127.26260	1.1
129.39209	1.2
135.00877	36.9
142.15482	1.1
153.01926	23.5
193.05038	1.2
197.99341	1.2
211.15157	1.2
216.04070	1.3
255.06635	100.0
297.07654	1.6
349.44022	1.2
567.21783	1.2
591.17267	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	635.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	8.8
77.40253	1.6
87.65874	1.4
140.45775	1.8
150.03270	2.0
163.03999	1.6
190.06377	3.7
193.04980	1.8
222.05347	2.6
224.04315	1.8
227.03529	14.2
255.03021	39.3
256.03549	2.1
283.02423	3.0
284.03299	100.0
285.04022	12.0
294.09091	2.4
309.07721	4.0
311.09109	2.2
312.06567	3.3
322.08420	6.1
323.09271	22.0
324.06769	2.3
324.10022	13.0
327.08765	41.4
329.17053	1.8
338.11591	7.1
339.08765	66.1
339.12381	7.8
342.11099	60.6
354.11108	19.4
357.13461	89.3
369.13464	87.6
385.52090	1.8
477.50287	1.8
635.16083	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	635.199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	22.5
71.01373	6.1
73.02933	3.8
86.78539	3.3
88.85307	3.1
101.02448	4.8
125.02460	3.3
136.01636	20.6
151.04025	66.1
156.98413	3.9
166.02687	21.4
175.03964	4.2
181.05051	54.0
209.02078	4.1
309.07974	5.3
323.09320	21.1
324.09891	5.9
339.08755	60.8
347.16864	3.8
354.11237	7.0
357.10013	13.1
369.13431	61.0
372.11975	4.0
387.14548	100.0
591.29779	4.2
635.16425	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	635.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71739	0.9
58.39714	0.6
59.01381	4.4
62.03757	0.8
71.01371	1.4
75.00852	7.2
75.29856	0.8
79.18320	0.8
85.02951	1.7
87.00874	1.7
89.02415	1.5
96.96043	1.1
99.00857	3.5
101.02419	1.7
106.13525	0.9
112.04054	0.8
119.05025	5.1
120.70667	0.9
129.01930	12.9
131.07117	3.5
149.06065	1.9
153.36960	0.9
163.04010	13.1
177.04095	1.9
177.05493	1.7
179.03502	6.9
179.05655	1.4
195.05109	100.0
239.05629	9.4
293.12485	5.2
341.04861	1.6
341.08810	34.8
421.35245	1.0
544.92767	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30985	0.4
53.92181	0.5
57.03450	7.5
59.01380	11.2
71.01374	5.9
73.02940	2.7
77.92798	0.6
85.02949	3.8
87.00931	0.7
89.02448	0.9
92.23047	0.5
99.00874	1.0
99.04523	8.2
101.02451	8.2
113.02435	4.7
113.59292	0.6
116.92805	0.9
117.03446	3.3
119.03432	0.6
125.02431	3.6
126.85519	0.7
130.08675	1.1
134.03735	65.4
147.88150	0.5
149.06068	14.1
160.01639	4.3
161.04518	3.2
175.04012	14.0
178.02678	1.3
178.58960	0.6
193.05063	100.0
230.00778	0.5
274.55701	0.6
283.02460	2.8
298.04742	2.5
332.91208	0.6
423.22198	0.7
491.27972	0.8
591.33362	1.0
599.27191	60.7
635.15619	1.9
635.42041	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	635.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.3
59.01374	4.8
61.74113	1.8
62.37578	2.0
71.01387	7.3
72.03214	1.7
76.71528	1.8
89.02448	3.5
99.04510	2.7
101.02383	2.5
110.10694	1.8
113.02460	2.8
134.03734	65.6
147.11533	1.8
149.06100	13.6
149.16185	1.9
157.08614	1.8
160.01660	2.0
175.04007	15.6
193.05069	100.0
193.77100	2.0
238.33611	1.8
417.13663	2.3
419.13663	2.9
459.18219	2.4
546.40057	2.3
599.27161	51.5
635.41260	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	635.252
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68291	0.8
69.30936	0.7
82.31776	0.7
82.87163	0.7
87.81180	0.9
95.65777	0.7
107.62017	0.7
123.42371	0.8
266.46902	0.8
273.64816	0.8
351.77103	0.9
431.18927	8.1
433.20251	1.4
439.87714	0.9
458.17380	5.9
459.18567	1.3
473.15250	1.3
473.20142	3.6
474.16919	10.5
475.17862	5.3
487.17676	2.9
488.18488	12.3
489.19299	8.1
490.20416	9.3
501.19562	6.3
512.18683	1.1
515.16968	1.0
516.18121	4.6
529.18835	5.2
548.20044	1.2
560.20697	3.2
575.23090	29.0
576.23969	9.2
635.25189	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77557	0.7
52.77610	0.9
54.87253	0.7
59.01376	2.3
71.75008	0.9
84.33461	1.0
102.39198	0.8
105.60433	1.0
110.91743	0.9
111.24201	0.8
132.23656	1.0
277.21701	2.1
324.88806	1.0
382.84958	0.9
419.18900	1.2
420.33661	1.4
431.18597	7.6
443.62369	1.1
458.17712	4.5
473.20129	4.6
474.16800	10.3
475.17862	4.5
487.17786	3.8
488.18646	11.6
489.19131	6.0
490.20224	10.7
501.19141	5.4
505.22247	1.1
513.03491	1.1
529.18134	1.3
560.20709	1.4
575.23053	26.1
576.23761	5.9
635.25165	100.0
635.40570	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	635.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90608	1.9
59.01103	3.9
59.01383	80.0
68.33981	2.1
69.24486	1.9
71.01376	51.1
72.14006	1.9
73.02935	21.0
79.88223	2.6
81.09586	2.0
83.01395	4.1
85.02956	23.2
87.00884	3.0
89.02451	36.1
92.29842	2.4
95.01375	10.3
101.02424	34.5
113.02444	45.7
119.03504	9.6
161.04546	5.7
214.88774	2.3
352.55316	2.2
384.97617	2.5
531.24475	68.8
549.25537	33.8
591.26642	100.0
598.79980	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	635.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13014	1.6
52.26345	1.4
53.68052	1.4
57.03450	3.0
59.01381	100.0
59.73749	1.6
66.14826	1.4
71.01376	62.6
73.02933	11.5
82.34083	1.7
83.01373	2.4
84.85644	1.7
85.02958	23.3
87.00887	3.6
89.02441	56.8
93.03446	27.9
95.01413	2.8
96.96010	6.7
97.02943	2.5
99.00909	2.4
101.02444	32.0
104.49223	1.5
113.01749	2.9
113.02451	42.2
119.03475	15.5
121.02953	15.4
134.03746	26.8
137.02385	7.8
137.09810	2.1
139.70657	1.7
149.06079	3.4
161.04552	3.2
165.01918	1.9
173.21342	1.7
175.03963	2.8
179.03477	3.8
179.05621	3.1
193.05086	20.9
195.04887	2.2
313.08484	1.7
352.89703	1.8
372.37784	1.6
441.10529	2.5
531.24493	63.4
549.25671	27.8
591.26691	83.0
635.06708	2.2
635.16162	48.7
635.25739	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	635.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	84.7
67.37032	1.3
71.01009	2.4
71.01379	46.7
71.70638	1.3
73.02942	7.7
83.01365	1.9
85.02966	11.9
87.00862	2.5
89.02436	41.2
95.01384	5.6
101.02447	34.7
113.02446	34.7
119.03481	14.8
140.96516	1.4
161.04523	3.1
179.05675	1.9
246.54659	1.5
276.22440	1.5
366.72852	1.8
488.25269	1.9
531.24506	74.4
549.25519	42.8
591.26624	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14650	0.6
59.01382	1.0
71.05025	1.0
72.99300	1.2
73.02942	1.5
74.11074	0.6
75.00871	4.5
78.39747	0.6
78.95888	0.8
87.00854	1.3
87.04512	33.3
98.24002	0.7
98.50645	0.9
98.70232	0.6
105.01951	2.8
126.02056	0.7
130.04941	0.7
145.01376	0.9
227.12927	1.3
309.74927	0.7
349.17291	0.9
371.25580	0.7
381.27814	1.7
383.29675	5.5
387.22064	0.8
391.74817	0.7
397.27603	8.2
401.30692	7.8
415.28564	8.0
435.33047	0.8
453.33878	3.2
471.35052	1.7
489.36075	7.2
635.38190	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14650	0.6
59.01382	1.0
71.05025	1.0
72.99300	1.2
73.02942	1.5
74.11074	0.6
75.00871	4.5
78.39747	0.6
78.95888	0.8
87.00854	1.3
87.04512	33.3
98.24002	0.7
98.50645	0.9
98.70232	0.6
105.01951	2.8
126.02056	0.7
130.04941	0.7
145.01376	0.9
227.12927	1.3
309.74927	0.7
349.17291	0.9
371.25580	0.7
381.27814	1.7
383.29675	5.5
387.22064	0.8
391.74817	0.7
397.27603	8.2
401.30692	7.8
415.28564	8.0
435.33047	0.8
453.33878	3.2
471.35052	1.7
489.36075	7.2
635.38190	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.381
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79393	0.6
58.00584	1.5
59.01380	3.5
62.79443	0.5
63.93207	0.5
67.81130	0.6
71.01356	0.9
73.02947	1.0
78.40317	0.5
78.95899	1.2
80.85130	0.6
83.01362	2.4
86.00105	1.0
87.00896	4.9
87.04514	6.7
92.23090	0.8
100.98760	1.1
101.02445	12.3
101.99580	3.5
116.06878	0.6
126.90554	0.6
135.50104	0.6
142.35770	0.7
145.01411	3.1
191.94336	0.8
252.65286	0.7
263.03867	0.8
369.87711	0.6
397.27536	0.8
425.87012	0.7
467.08780	0.8
489.35931	1.0
542.24518	0.8
547.36725	0.9
575.35834	4.1
635.38153	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	10.0
59.01381	63.0
61.84859	1.1
61.98825	1.9
67.54843	1.0
71.01377	39.5
73.02936	2.7
83.01379	2.4
85.02942	10.1
87.00877	1.2
89.02439	42.1
92.31626	1.2
95.01370	2.1
99.04518	12.0
101.02437	29.2
105.99797	1.2
112.03185	1.3
113.02460	14.5
119.03481	12.2
125.02419	6.2
143.03525	1.3
161.04581	1.9
179.05617	9.2
209.11859	1.3
226.15451	1.1
255.03015	5.1
283.02499	37.5
283.05533	1.2
298.04846	38.9
298.08032	2.1
299.05573	5.5
329.23212	1.6
437.30554	10.2
462.66119	1.1
491.28516	2.4
599.36230	14.6
617.36884	9.9
635.16211	32.9
635.38141	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	635.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02240	1.1
53.30619	0.9
54.54412	0.8
55.01880	1.2
55.47609	1.1
57.10642	1.0
59.01384	100.0
71.01382	48.1
73.02926	1.7
83.01386	1.5
85.02936	7.0
87.00861	1.6
89.02440	71.5
95.01391	2.8
101.02440	35.3
113.02445	26.9
119.03496	33.2
131.03513	1.6
143.03479	5.0
149.04590	1.4
161.04567	7.8
179.05612	32.0
202.52757	1.2
214.55595	1.3
233.32225	1.2
279.97931	1.4
283.02463	6.3
298.05011	2.8
542.55914	1.3
635.16547	5.9
635.41748	93.1
651.58618	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	635.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86114	1.4
54.96679	1.4
56.60274	1.6
57.03446	1.8
58.47433	1.5
59.01383	100.0
66.79913	1.7
70.26635	1.4
71.01382	53.4
72.99286	2.3
73.02926	3.9
73.37286	1.4
76.15819	1.6
78.20679	1.4
83.01382	2.2
85.02950	9.1
89.02440	71.9
89.27900	1.8
95.01362	2.6
95.20773	1.5
99.04503	4.2
101.02448	31.8
113.02442	27.8
119.03477	25.0
125.02481	2.0
130.40735	1.7
131.03528	1.5
134.03767	11.7
134.16957	1.8
143.03529	2.6
144.83620	1.6
161.04558	7.0
179.05644	22.7
193.05093	16.6
347.11823	1.7
389.62997	1.7
400.59787	2.3
485.49625	2.3
492.41299	2.1
593.35437	2.4
597.25732	8.9
635.41943	91.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	6.4
57.03450	13.3
59.01383	40.1
69.03432	0.8
71.01379	66.2
72.99322	1.1
73.02942	21.2
74.00310	0.7
75.00868	1.1
79.46172	0.7
83.01390	13.6
85.02946	40.2
86.68784	0.7
87.00870	4.2
89.02437	3.8
93.08705	0.8
95.01378	7.1
97.02901	1.4
99.00871	8.8
99.04504	10.8
101.01772	2.0
101.02441	59.1
113.02445	33.1
116.92844	4.5
117.03508	1.4
125.02457	7.3
126.54249	0.9
129.01939	1.5
132.67888	0.7
134.02725	1.8
134.03737	47.7
135.85477	0.8
140.64157	0.8
142.71228	0.9
143.03499	3.6
149.06039	9.1
159.02977	7.7
160.01604	6.9
161.04552	52.4
175.03986	10.9
193.05070	69.5
205.03510	0.8
243.19615	1.5
263.59351	1.1
269.21228	1.0
283.02600	4.7
298.04904	3.7
318.71674	0.8
329.27194	0.9
336.85812	0.8
340.79181	0.9
387.23538	1.1
405.25012	4.5
415.31998	1.1
431.26520	3.8
447.25943	6.9
473.27930	0.9
489.27121	1.2
491.28012	10.0
512.07733	0.9
533.29352	3.3
575.33820	1.5
599.27234	52.7
624.00873	0.9
635.17609	6.5
635.41888	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45045	0.6
59.01384	100.0
65.66615	1.0
69.02946	0.7
69.30406	0.7
71.01382	1.8
73.35621	0.7
74.13744	0.6
79.96062	0.7
89.02433	3.3
101.02441	0.8
119.89423	0.7
144.74480	0.8
179.05649	1.3
339.60712	0.8
345.78299	0.8
575.43146	3.7
635.45483	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	635.5263
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36839	2.1
53.98950	2.2
67.86757	2.6
78.63737	2.3
79.20871	3.1
94.38605	2.9
125.87282	2.8
129.38560	2.7
146.21164	3.0
279.23312	100.0
295.47571	3.0
299.39264	2.9
630.49152	3.5
650.22217	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	637.1062
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13195	0.6
55.38065	0.6
57.03447	1.4
59.01376	0.9
59.30268	0.5
60.99294	0.8
61.25621	0.6
81.92656	0.6
88.98801	9.9
92.22510	1.3
93.03443	3.9
99.04489	1.6
123.80348	0.7
132.02182	0.8
133.66154	0.8
134.03734	4.5
135.04553	0.9
151.00320	1.5
160.01689	10.6
161.02463	3.3
163.00386	1.5
165.01932	33.6
175.04005	17.1
178.02727	1.5
193.05116	0.9
200.95465	0.7
212.04718	1.1
226.35417	0.8
228.04381	0.9
240.04320	8.9
243.06635	2.8
255.02876	5.1
255.06798	1.5
256.03790	3.9
256.82095	0.8
271.06152	45.1
283.02509	20.7
283.05591	1.1
284.03287	29.1
298.04883	27.9
298.08072	1.0
299.05637	100.0
313.07309	1.1
323.07779	2.9
337.09207	5.8
341.06653	0.7
458.99515	0.8
503.12009	32.5
503.19196	1.5
616.78662	0.7
637.15729	35.7
637.33508	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
66.37467	0.6
69.09320	0.5
71.49808	0.5
80.80749	0.6
81.62701	0.6
83.22125	0.5
85.33796	0.7
133.02991	0.6
134.03728	2.7
135.04497	1.2
138.30383	0.5
160.01590	5.1
161.02455	6.9
165.01881	3.9
175.03987	16.8
178.02550	0.6
179.03523	2.5
193.05043	4.4
196.88651	0.6
227.03537	5.3
228.04399	0.8
240.04210	0.8
243.06618	1.1
255.02986	18.0
256.03741	5.8
271.06180	5.8
283.02490	84.9
284.03265	37.4
298.04840	62.4
299.05627	64.1
299.09210	1.0
313.07031	1.3
323.07748	5.8
337.09390	6.8
461.10678	0.9
566.57562	0.6
637.15723	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37714	0.2
56.25969	0.2
56.31023	0.2
57.03441	0.2
58.07521	0.2
59.01382	0.4
61.21080	0.2
65.00330	0.6
65.67163	0.2
87.58955	0.3
88.98788	2.3
93.03448	5.4
97.02915	0.5
99.04517	0.4
113.02546	0.3
121.02909	0.5
132.02161	1.3
133.02982	0.4
134.03745	2.6
135.04529	1.3
149.06137	0.3
149.99606	0.5
151.00359	2.9
160.01665	13.6
161.02437	4.9
163.00340	1.1
164.01111	0.3
165.01926	39.3
175.04004	20.3
175.05554	0.4
177.05544	0.3
178.02748	2.7
179.03535	0.6
183.03001	0.4
185.86415	0.3
193.05118	2.0
198.03091	0.3
206.02286	0.4
212.04793	2.0
213.05585	0.3
221.04672	0.3
228.04271	1.3
239.03587	0.3
240.04291	8.5
243.06607	4.7
255.03064	2.1
255.06586	2.3
256.03775	3.4
271.06140	50.4
282.99496	0.5
283.02512	9.9
284.03293	30.4
285.03827	0.4
297.04105	1.5
298.04855	11.6
299.05634	100.0
313.07248	1.7
323.07712	3.1
337.09354	7.0
415.70340	0.3
424.01535	0.3
491.09378	0.3
503.12000	7.9
553.00366	0.3
637.15717	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	637.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	2.8
59.01376	3.4
65.00316	0.5
80.87346	0.3
83.01401	0.6
85.02957	0.5
93.03443	5.6
99.04514	2.4
101.02464	0.8
113.02444	0.7
113.76591	0.4
125.02438	1.4
132.02142	0.8
133.02980	0.6
134.03694	3.1
135.04500	0.4
146.88091	0.3
149.06100	0.8
151.00380	2.9
151.01424	0.4
160.01649	13.6
161.02461	4.4
163.00380	1.6
165.01920	38.7
175.04001	20.9
178.02718	3.2
179.03490	0.7
191.07159	0.4
193.05077	2.9
206.02257	0.7
211.35622	0.4
212.04755	1.6
213.05640	0.5
213.35384	0.3
214.73795	0.4
227.03488	0.4
228.04391	0.6
240.04263	8.2
243.06668	3.9
255.03032	1.7
255.06653	2.1
256.03775	3.1
271.06140	49.3
283.02454	5.9
284.03262	29.9
285.03745	0.8
295.08286	0.7
297.04010	0.4
298.04831	9.6
299.05615	100.0
300.05450	0.7
313.07138	1.7
323.07672	4.2
337.09314	7.9
492.56476	0.4
577.32538	0.8
637.15723	56.3
637.32288	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	637.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.7
59.01373	7.9
62.86760	1.0
68.29476	1.0
70.67597	1.2
71.01371	2.6
81.12838	1.3
82.65659	1.3
83.16524	1.1
85.02942	1.7
89.02408	2.1
99.04507	2.5
101.02418	5.8
113.02420	2.4
134.03719	2.8
135.04477	1.7
160.01627	7.2
161.02428	5.9
165.01920	6.6
175.04005	16.1
179.03432	1.3
193.05016	2.2
227.03447	5.1
243.06621	1.6
255.03079	18.7
256.03735	9.3
271.06155	8.3
283.02493	84.0
284.03290	51.5
288.70047	1.5
298.01425	2.2
298.04825	60.4
299.05621	100.0
323.07724	7.1
337.09415	5.1
494.09390	1.4
577.35657	2.1
595.37463	1.7
637.15704	93.6
637.41541	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	637.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33601	2.8
56.75637	3.2
59.01376	8.5
66.57112	3.3
66.77163	3.7
68.82507	3.1
71.64989	3.0
73.02924	4.0
75.77725	3.2
76.35877	3.8
83.10268	3.2
108.02142	4.4
113.02445	4.0
123.04494	8.5
134.03757	62.8
137.02431	3.9
142.39127	3.5
143.97346	3.8
149.04935	3.8
149.06085	20.7
152.01167	18.9
160.01649	4.8
165.05554	5.7
167.03493	90.3
175.03976	19.7
178.02701	22.6
193.05070	100.0
203.08339	7.9
227.07130	18.2
245.09325	17.6
333.07202	4.1
345.49658	3.8
389.12454	17.9
431.13226	4.2
443.11813	26.4
444.24896	4.6
475.12625	6.0
493.22409	4.6
637.17755	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	637.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13469	1.7
59.01390	14.2
63.40386	2.0
67.67543	2.0
71.01385	4.4
89.02454	3.6
97.06633	2.5
101.02447	3.3
108.02170	10.2
123.04478	9.4
134.03746	66.6
137.02429	4.4
143.03674	2.3
149.06049	17.7
150.03285	2.6
151.79947	2.6
152.01152	31.0
160.01678	4.9
165.05553	4.0
167.02042	3.3
167.03488	99.7
175.04002	27.2
178.02721	26.7
188.23825	2.6
193.05070	100.0
203.08344	2.3
223.06078	2.4
227.07202	11.1
300.02917	3.3
389.12534	10.0
443.11990	25.8
461.12906	4.0
637.17914	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	637.1783
Annotation	7-O-Methyltectorigenin 4'-O-gentiobioside
Peak:m/z	Relative Intensity
51.86203	0.7
64.88405	0.7
67.84285	0.8
106.05869	0.8
121.02946	0.8
126.09010	0.8
133.02922	0.9
134.03735	28.6
137.02477	3.5
144.69574	0.8
149.02417	1.0
149.06062	24.0
150.03215	20.8
161.91025	0.8
164.04890	1.1
165.05562	49.0
175.04071	1.3
178.02719	37.5
180.04291	3.7
193.05066	100.0
195.06624	13.6
242.89470	0.8
280.68393	0.7
282.09088	1.8
389.12479	16.6
464.45816	0.8
469.04379	0.9
573.61200	0.9
593.18896	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	637.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39811	0.6
59.01379	3.5
60.73542	0.6
71.01373	1.8
73.02940	1.3
89.02454	1.0
92.19102	0.7
92.22543	1.1
98.00881	0.7
99.00860	1.8
101.02435	0.8
109.02942	9.8
113.02438	3.4
116.47312	0.8
119.40289	0.8
121.02943	22.4
122.03751	4.4
123.04490	1.0
130.77776	0.7
135.04530	24.3
147.04527	1.6
149.02454	0.9
153.05801	0.8
164.04855	1.4
179.07104	6.0
203.07069	0.9
249.52074	0.9
257.01016	0.8
259.81174	0.7
271.06116	5.4
285.07755	1.1
286.08536	20.0
301.10843	100.0
325.11020	0.8
334.22379	0.8
505.17188	3.2
637.21466	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	637.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	9.2
60.31405	0.9
71.01377	5.8
86.84980	0.9
87.00871	36.5
89.02442	9.2
91.75446	1.0
101.02435	4.0
113.02424	4.1
119.03468	2.1
136.01633	6.4
151.04007	45.5
154.22795	0.9
155.87434	0.9
166.02721	8.7
174.25746	0.9
175.07639	1.2
181.05069	51.7
193.05109	1.4
203.07048	0.9
227.07275	0.9
247.68149	0.9
312.98950	0.9
339.12277	3.8
357.09891	4.0
369.13336	1.9
372.12109	12.4
376.96692	1.1
387.14545	28.2
475.16138	11.8
605.31708	1.0
637.21375	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	637.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.20744	1.5
59.67911	1.8
63.90412	1.5
88.81265	1.6
92.22448	2.0
92.79087	1.8
106.82552	2.0
115.44893	2.4
116.92810	3.6
177.46146	1.9
188.28297	1.9
244.16931	1.9
272.73224	1.8
311.38821	2.0
317.38684	2.1
444.23221	3.9
447.21808	9.4
457.20135	2.3
461.19904	27.8
471.21738	10.3
472.22668	12.8
475.21289	12.8
483.18140	3.7
484.18933	9.7
488.18262	2.6
489.18594	5.6
491.17166	15.7
498.20804	3.5
499.21310	32.8
500.22363	15.1
502.20117	9.2
503.24899	9.1
505.18787	26.0
506.19266	14.5
516.21655	16.9
517.22235	2.5
519.20276	4.3
531.24036	72.9
534.22894	15.8
549.25177	11.4
561.21381	4.5
563.19128	13.7
578.21729	100.0
593.24188	2.5
637.22845	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	637.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05643	1.6
63.94106	1.6
65.46785	1.5
88.62492	1.6
92.52005	1.7
107.64571	2.0
245.42239	2.1
264.15768	1.9
293.07932	1.8
360.00681	2.2
431.18658	3.6
433.19968	22.5
434.21140	4.5
445.16217	2.9
446.20969	25.1
447.21964	54.9
457.20563	9.2
458.21356	4.0
459.18149	8.6
460.22849	2.8
461.23898	32.5
462.24353	24.5
473.16333	12.7
474.20837	27.9
475.21304	7.7
487.17770	3.5
488.18149	31.6
489.22833	25.6
490.16550	22.1
490.23636	8.0
491.17212	2.9
502.20093	6.4
504.18149	9.9
505.18832	34.9
506.23486	21.1
517.22321	6.6
533.22052	7.7
534.22693	3.9
560.80365	2.1
561.13159	3.5
561.21558	64.5
578.21771	100.0
593.24219	41.7
605.20245	3.3
637.12402	2.0
637.22784	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	637.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	3.6
67.24505	0.7
71.01366	1.2
101.02438	0.9
145.08664	4.1
170.52771	0.7
182.46025	0.8
281.09500	1.0
282.10101	25.0
283.10931	7.4
299.05475	1.7
300.02597	1.5
314.09113	21.3
326.01706	0.8
326.09189	5.7
327.09958	5.4
358.08206	3.8
392.16281	15.0
404.16187	49.5
422.17282	14.8
428.72192	0.9
436.15323	5.2
448.15140	25.1
465.20120	0.8
466.09833	1.5
466.16214	35.4
577.32312	1.2
619.24139	1.1
637.25134	100.0
652.14154	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14070	3.8
57.04670	4.5
58.60128	3.6
73.53748	5.0
75.00851	5.8
84.44165	4.9
86.86726	4.4
106.69461	5.7
155.57504	6.2
223.48283	5.2
332.82562	5.1
383.87662	6.0
432.22934	6.1
443.22586	38.5
447.25967	40.3
457.23938	26.6
459.21771	10.2
460.22864	31.5
471.21603	10.6
472.22650	8.2
474.24905	6.6
475.25562	6.7
485.23483	32.4
487.21494	79.8
501.23041	42.6
502.23737	88.8
503.24728	9.0
514.20306	33.6
517.18744	18.9
517.26074	56.9
519.23981	30.9
529.22662	29.1
534.26251	9.4
546.22717	23.3
549.29071	34.8
561.25165	25.0
563.22668	19.5
578.25439	8.4
593.27679	33.9
605.24121	100.0
622.23926	7.0
637.26355	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	637.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.3
66.11735	0.7
67.01161	0.6
78.97719	0.7
91.51395	0.7
95.81554	0.8
105.34660	0.8
119.29056	0.7
120.51687	0.8
133.63014	0.9
181.66489	0.9
256.24631	0.8
279.23352	1.5
431.22464	9.5
432.23312	9.5
445.23981	1.2
446.24716	4.3
447.25540	33.1
457.24014	1.4
459.22003	15.5
465.26541	3.1
473.23721	9.4
474.24387	12.8
486.20313	1.5
489.19412	0.9
490.19754	4.4
490.24249	3.7
491.12851	1.0
491.24551	17.2
501.23126	3.2
503.20947	8.1
505.26154	8.5
506.26791	1.8
514.20093	1.2
518.23193	5.1
529.22516	1.3
533.25305	1.7
550.25958	9.9
561.25232	1.5
562.22266	39.2
577.24615	4.2
605.24121	100.0
609.26935	3.3
637.27026	15.0
637.43073	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	637.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06265	0.4
63.18896	0.4
63.48015	0.5
72.30113	0.4
77.95559	0.4
79.93052	0.5
87.06506	0.4
98.50925	0.4
122.29945	0.5
130.23123	0.5
142.64287	0.5
154.44110	0.5
165.85075	0.5
271.98941	0.5
419.16644	1.1
419.22409	30.5
437.23758	0.8
447.21631	3.4
476.18594	40.2
490.20157	1.1
491.20825	3.2
492.22293	0.6
561.25098	1.9
563.23090	3.3
577.24316	0.9
578.25421	100.0
637.26794	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	637.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	28.3
59.01107	2.9
59.01383	63.7
66.04063	1.4
71.01370	33.7
72.88127	1.5
73.02943	3.7
74.02467	2.0
85.02934	7.9
87.00875	1.8
89.02437	49.2
95.01399	1.7
96.97063	1.2
99.04524	15.7
100.84580	1.8
101.02440	40.5
110.28127	1.4
113.02445	31.0
113.20190	1.7
119.03507	21.1
124.99484	1.5
125.02426	10.6
129.12321	1.5
134.03726	3.5
137.02400	2.7
152.01176	2.7
167.03458	12.2
175.03952	2.7
181.76909	1.5
193.05080	12.0
352.19574	1.6
410.03632	1.8
475.22058	10.5
493.22946	82.7
535.23920	20.8
637.18250	4.8
637.27124	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	637.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37446	1.1
57.03447	11.3
57.03682	1.1
59.01104	2.0
59.01384	48.1
62.73748	1.1
63.67402	1.2
67.17841	1.4
71.01012	1.5
71.01361	9.9
73.02954	1.2
75.00859	1.6
80.24291	1.3
80.51874	1.1
83.32044	1.3
85.02952	3.1
88.00848	1.4
89.02417	4.9
92.23081	1.8
94.07542	1.2
99.00884	2.1
99.04510	8.2
99.08152	2.0
101.02453	10.3
102.07722	1.2
113.02414	5.5
125.02430	7.4
127.07643	26.9
145.08699	100.0
174.78358	1.3
187.09763	50.7
198.74495	1.6
282.10062	2.2
327.09882	1.6
404.15961	7.2
405.17685	10.8
448.14886	2.3
466.16132	7.3
534.18256	1.4
577.32422	10.3
637.12262	2.9
637.24670	11.1
637.31403	7.9
654.76727	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	637.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	13.2
84.93803	1.2
85.50125	0.8
87.21696	0.7
99.92590	16.2
100.93363	11.8
115.92081	15.7
116.92854	100.0
169.12291	1.2
183.13911	1.4
190.10193	0.8
197.11852	11.2
265.05484	4.4
266.06088	0.9
279.03342	4.2
280.04144	4.4
281.04849	7.6
282.05579	2.0
297.04407	2.0
309.04486	3.4
310.05414	1.2
313.04010	1.9
323.06033	1.0
327.05383	1.6
329.19952	0.9
342.62979	0.9
353.06964	1.4
354.07620	1.7
406.16193	1.0
409.17014	1.4
533.25708	1.5
599.75836	1.0
610.35974	1.2
637.30621	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	637.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	74.6
59.01382	100.0
66.68137	1.5
71.01374	27.7
73.02936	6.8
81.03499	1.5
83.01390	6.0
85.02956	10.5
87.00876	3.5
89.02446	9.7
90.60921	1.6
96.95998	9.3
97.02911	1.9
99.00899	3.6
99.04519	77.2
99.05166	2.9
101.02440	30.4
113.02420	15.9
119.03478	2.3
125.02447	32.4
135.31018	1.5
143.03484	6.4
161.02492	2.4
161.04529	3.5
161.09686	8.1
165.01727	1.5
175.03981	2.8
187.11292	9.5
189.09192	2.4
230.86499	1.6
255.02907	1.6
271.06067	7.2
283.02490	10.3
284.03046	7.6
298.04877	8.6
299.05518	17.7
300.05658	3.4
349.18597	3.4
389.25427	9.5
407.26688	2.3
431.26382	4.1
449.27664	22.5
491.28888	13.6
533.29688	14.7
551.30573	10.2
577.32269	28.0
593.31958	40.8
599.12964	2.4
637.17151	17.8
637.32642	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	637.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58067	1.0
57.03456	1.4
59.01097	1.4
59.01381	24.5
70.98054	0.8
71.01382	29.5
73.02943	8.2
74.35058	1.0
83.01375	2.2
85.02943	15.7
87.00853	4.0
89.02442	35.8
90.35092	0.9
92.22530	1.2
94.21304	0.8
95.01359	3.6
99.00858	1.8
101.02449	24.7
111.38905	0.8
113.02449	24.6
119.03513	12.3
131.03490	16.1
143.03543	2.1
149.04466	1.0
159.03004	3.7
161.04564	23.1
179.05609	16.5
221.06689	24.7
263.07733	11.7
265.05276	0.9
331.25061	1.2
337.49237	1.1
343.22827	11.2
414.22739	1.1
454.57660	0.9
464.53302	1.0
475.28503	1.3
493.30261	9.1
537.81073	1.0
564.04376	1.2
601.28528	1.1
637.32434	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	638.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46429	0.3
58.02984	6.2
65.57175	0.3
70.02978	5.6
72.00900	0.7
74.53701	0.4
85.77967	0.4
91.05528	6.0
101.09551	0.4
113.00838	0.4
147.04521	13.8
162.09215	0.9
164.07181	63.9
165.28082	0.4
206.08232	100.0
212.74590	0.4
250.07225	6.1
281.51910	0.4
308.00961	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.0517
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	55.8
59.01387	2.8
72.16919	2.2
84.19811	2.2
85.34749	2.4
92.22513	5.4
92.83576	2.3
99.04511	100.0
101.02437	11.5
125.02438	77.1
189.15375	2.4
199.56563	2.6
341.39569	2.5
486.26443	3.0
495.00674	22.1
537.02063	17.4
590.81964	2.7
595.05945	11.9
603.07135	3.3
639.05170	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	639.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19712	0.9
59.01386	4.6
65.80570	1.0
71.01378	4.3
75.00872	1.9
85.02960	1.6
89.02428	1.0
90.78927	1.0
98.44426	1.1
99.00892	1.5
99.04530	1.3
101.02442	2.2
113.02452	5.6
121.02947	2.5
127.07555	1.1
132.48531	1.1
136.67891	0.9
165.01929	20.0
165.12852	6.3
172.48672	1.0
183.13896	14.4
193.01418	5.7
227.12917	2.5
233.04083	1.2
249.06194	2.4
267.07401	1.5
271.02655	1.9
299.01974	21.9
300.02737	7.0
301.03503	1.3
314.04364	100.0
314.64270	1.3
315.05127	87.0
454.83572	1.2
477.10431	89.3
639.15466	15.2
639.25098	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	639.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59518	0.3
54.91483	0.4
59.01150	0.4
59.01393	6.4
71.01382	4.7
72.99301	0.8
73.02938	0.6
73.90448	0.4
75.00861	3.0
85.02955	2.6
87.00874	1.5
89.02444	3.6
91.05571	0.4
93.03451	29.2
99.00901	1.9
99.03478	0.5
101.02451	2.3
113.02455	5.6
117.02067	0.5
119.03490	0.8
120.44809	0.4
124.01640	1.0
137.02444	100.0
139.04013	2.5
163.04041	0.9
192.23686	0.5
203.08345	0.4
209.52234	0.4
223.06160	2.7
240.74103	0.4
249.06235	2.1
267.07239	3.7
447.53809	0.5
457.13718	0.7
475.15652	0.6
493.12601	0.4
595.16766	18.1
639.25336	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	639.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89929	0.5
59.01377	5.4
69.03435	1.0
72.99284	0.9
73.02896	0.9
75.00875	7.3
76.44415	0.6
84.77116	0.6
84.92412	0.6
85.02953	4.5
87.00820	1.4
89.02388	2.5
93.03448	30.9
95.01353	1.1
99.00811	4.2
101.02382	0.8
113.02451	7.2
121.02902	0.8
134.03734	7.9
135.04506	0.9
137.02446	100.0
138.03169	2.8
139.03951	4.2
149.02432	0.7
149.05972	3.2
150.03101	3.1
151.03899	3.2
164.04613	0.8
165.05525	9.1
175.03865	3.5
178.02588	1.1
190.59419	0.6
193.05078	12.7
195.06615	0.9
211.80457	0.6
249.06062	7.0
267.07056	3.4
282.08765	1.4
341.10052	1.5
389.12225	0.9
595.16724	34.2
621.18042	1.2
639.18707	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	639.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57770	2.2
79.69885	1.8
82.03012	2.7
85.04055	9.1
87.05643	2.8
88.04005	3.9
115.06838	1.9
127.05082	3.1
128.03528	85.9
152.08333	10.4
153.06665	5.2
157.06175	64.6
159.07771	3.8
168.82339	1.8
174.02341	23.7
179.04622	17.1
184.04800	2.5
191.04919	4.1
196.07260	19.6
197.05814	3.5
214.08519	2.4
224.10410	4.9
242.11253	2.6
268.09384	8.7
286.10391	16.3
302.08127	3.2
320.09247	42.8
328.88934	2.3
386.18021	2.8
510.12857	3.1
639.17572	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.9
72.99303	0.7
74.29164	0.6
89.02417	1.1
93.71405	0.7
95.22008	0.6
99.00858	0.8
113.01727	0.6
113.02467	1.3
117.03447	4.3
125.01479	0.7
126.57421	0.7
134.03738	77.6
137.02448	1.0
149.06085	16.4
151.03987	2.5
152.27275	0.6
153.01942	11.4
154.02742	3.0
157.64407	0.7
160.01660	11.0
168.04282	11.6
169.05048	1.5
175.04005	23.2
175.07996	0.7
178.02727	16.0
193.05063	100.0
413.11069	2.2
445.13623	2.9
463.14731	0.8
486.91098	0.6
529.99060	0.7
559.59454	0.7
639.19373	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	639.1934
Annotation	Plantamajoside
Peak:m/z	Relative Intensity
57.03451	1.0
59.01143	0.6
59.01379	9.5
59.85281	0.5
67.01914	0.5
68.41502	0.5
72.99299	3.1
73.02936	0.8
75.00868	12.7
81.03450	0.6
85.02946	11.2
87.00864	3.0
89.02420	3.2
92.23030	0.8
93.03432	0.9
95.01373	2.4
99.00887	7.2
103.00385	0.7
111.00890	0.6
113.02435	14.2
115.00350	1.2
117.01933	2.0
121.02906	3.2
122.03765	0.9
123.04420	0.6
129.01874	0.9
133.02962	1.2
134.03741	12.0
135.04477	0.9
137.02475	0.6
148.05290	0.8
149.02426	2.4
149.06055	5.7
150.03209	18.6
151.03999	4.4
160.01712	1.3
164.04715	1.0
165.05560	35.2
175.03992	6.7
178.02682	3.0
179.03514	1.0
180.04247	3.0
181.04965	0.7
193.03343	1.1
193.05072	24.8
195.06593	3.6
199.61240	0.7
207.05042	0.7
249.06139	11.8
253.07150	0.7
267.06790	4.5
341.10049	0.8
365.17224	0.6
381.12003	0.6
442.10956	0.9
443.12451	0.7
639.19336	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	639.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.6
59.01377	9.9
60.31737	0.6
64.27584	0.6
71.01385	11.5
72.99303	1.5
73.02933	0.9
75.00869	10.2
85.02946	8.3
87.00855	4.4
89.02426	3.3
91.04018	0.8
93.03452	2.9
95.01364	2.7
96.73292	0.6
99.00875	8.1
103.00408	0.9
103.04829	0.7
113.02448	13.8
115.00410	0.8
117.01926	1.2
119.58199	0.7
121.02908	1.0
129.01878	1.2
134.03741	16.6
135.04509	0.9
137.02438	7.6
149.02417	1.2
149.06082	9.4
150.03201	12.1
151.03978	6.4
164.04793	0.9
165.04231	1.3
165.05566	27.6
175.02629	0.9
175.03963	5.6
177.55144	0.6
178.02707	4.9
179.03523	1.1
180.04242	1.3
192.04419	0.8
193.05083	26.0
195.06630	5.8
217.63077	0.6
231.05112	0.9
243.16335	0.7
249.06158	16.8
267.06839	2.7
267.09177	1.0
282.08929	1.3
295.07404	0.8
341.10272	1.5
381.11951	1.1
385.98532	0.8
393.01944	0.8
403.22827	0.7
443.37442	0.8
595.18567	3.2
621.18341	4.2
639.19342	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	639.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14856	1.1
59.01380	33.4
85.51899	1.1
96.95991	1.2
116.92840	1.7
119.04987	2.0
120.64719	1.3
124.19711	1.2
137.02422	2.2
147.04518	82.4
152.01167	1.5
165.05565	100.0
175.04135	2.0
179.29166	1.3
180.04318	1.3
181.05133	12.7
187.30925	1.2
193.04947	1.5
195.06624	1.5
207.06645	60.0
225.07690	2.8
227.30373	1.3
249.40494	1.5
258.48639	1.2
355.89725	1.3
492.96173	1.4
639.19116	7.1
659.58026	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	639.247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16990	0.8
59.01336	1.1
60.79281	1.1
61.15916	0.9
63.23131	1.0
86.16717	1.3
86.34161	1.1
95.70481	1.0
98.02716	1.1
115.01962	1.1
134.02217	1.0
143.06628	1.3
202.41075	1.1
273.17252	1.0
430.21600	6.0
431.22372	8.2
445.24078	15.0
446.24908	4.3
458.21152	4.4
459.22021	29.3
467.96576	1.4
473.23941	7.5
474.24307	7.1
477.23062	2.7
485.19919	2.0
486.20752	35.4
488.99808	1.1
489.19275	8.6
490.20020	25.1
496.15884	1.2
501.22955	21.6
502.19925	1.4
503.20901	13.2
505.26099	9.6
517.22485	5.8
518.23102	1.7
545.23047	1.4
562.22223	45.6
563.23187	1.7
577.24091	1.3
580.23358	100.0
607.22101	5.0
639.24585	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	639.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	4.8
64.02105	3.9
69.48221	4.0
92.23094	10.2
116.92862	5.0
120.08141	5.2
134.27765	3.9
190.12440	4.6
206.32195	4.2
379.46161	4.9
473.23853	16.0
485.19717	5.5
489.19543	23.7
490.20093	22.1
500.22391	8.0
501.23026	53.2
503.21191	21.4
510.93475	5.0
519.23895	6.2
535.23120	6.0
547.19812	25.8
549.21051	6.0
551.26575	5.5
552.91681	5.2
559.23450	8.2
563.23065	25.6
577.24567	30.7
580.23401	16.5
595.25726	61.7
621.23474	33.6
633.00592	5.1
639.24695	100.0
639.44757	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	639.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97347	8.0
59.01392	9.3
70.09188	7.6
87.85211	7.4
118.83642	8.8
127.36378	9.1
139.23270	9.3
148.86197	8.4
449.23517	11.1
489.19284	33.3
501.22995	15.6
518.21771	9.3
533.25598	13.7
562.22302	16.1
575.45178	9.8
595.26129	16.1
621.23883	76.7
639.24524	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86563	0.6
58.01603	0.6
58.51239	0.6
59.01389	8.2
62.89511	0.6
73.02931	0.8
83.58001	0.7
85.02953	1.3
87.00890	1.3
87.04485	0.7
89.02421	4.6
99.51222	0.7
101.02426	3.2
113.02434	3.6
118.05074	1.4
125.02431	1.0
131.03505	0.7
140.59590	0.6
150.35277	0.7
152.99507	0.9
159.10275	0.8
174.28391	0.6
175.08334	0.9
189.58205	0.8
247.20673	3.8
265.21732	7.2
291.19815	1.2
297.34052	0.8
309.20749	15.4
327.21783	29.9
345.22885	20.3
369.22900	0.9
459.25958	3.5
477.27182	11.8
489.27072	3.9
507.28149	17.8
621.31213	0.9
632.23779	0.9
639.32458	100.0
639.40594	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	639.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.8
67.74485	0.7
72.95922	0.7
80.51440	0.6
85.02943	3.4
89.02438	6.2
94.98283	0.7
101.02446	6.4
102.88600	0.6
113.02451	5.4
119.03486	1.0
161.04530	2.4
181.84067	0.6
221.06619	1.2
247.20616	4.6
265.21829	6.0
287.33322	0.7
291.19672	1.4
293.21274	0.7
309.20764	12.9
327.21786	26.7
341.23230	0.7
345.22824	16.6
364.81525	0.7
369.23047	1.0
459.25882	5.6
477.27103	18.5
489.27124	3.3
507.28207	9.6
596.37787	0.8
621.31439	1.5
639.32568	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44438	2.3
58.50407	2.7
59.01379	38.8
59.99192	2.3
71.01379	24.5
79.93631	2.7
87.00871	5.7
89.02447	41.2
101.02433	19.1
113.02431	15.6
119.03504	12.4
134.64807	2.9
139.77710	3.0
143.03505	3.2
179.05606	4.1
211.13470	11.2
255.23328	92.9
258.42282	2.8
259.94763	3.4
269.24994	5.3
323.09882	18.7
341.10938	25.2
541.74506	3.3
579.33844	100.0
639.38959	4.7
639.48462	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	639.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24446	4.4
57.03456	84.7
59.01388	43.0
67.06552	5.1
70.45601	5.4
70.98407	5.3
82.29806	5.5
86.55141	5.8
92.44868	6.4
93.03204	5.2
99.04520	100.0
101.02461	12.7
117.37543	6.5
125.02441	34.3
130.79085	5.4
171.58128	5.6
189.06961	6.4
194.81862	6.3
277.21729	54.1
418.99408	6.5
451.74304	7.2
639.24310	30.7
639.36145	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	639.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28661	0.6
55.01884	0.8
57.03445	3.4
59.01376	1.0
61.02900	0.6
71.01379	14.3
73.02937	7.0
83.01369	2.9
85.02947	18.5
85.59480	0.5
87.04504	19.6
88.20763	0.5
95.88703	0.6
96.19333	0.6
97.06564	3.0
99.00864	2.6
101.02451	1.0
101.06100	1.3
101.68546	0.6
115.07635	2.8
118.80877	0.6
123.08116	1.5
125.06052	4.5
131.03540	1.2
139.07643	4.5
141.09300	0.8
157.08681	1.1
159.08990	1.2
159.10260	23.7
164.47478	0.6
236.15697	0.7
371.25912	3.1
385.27594	1.0
389.26923	3.2
401.30853	0.7
415.29037	0.7
473.32794	3.4
507.36938	4.0
639.41248	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.6
56.26972	0.3
57.03447	3.1
59.01375	1.0
61.65000	0.4
71.01009	0.8
71.01380	15.4
73.02943	5.6
73.06551	0.4
83.01366	3.0
85.02945	17.9
85.23158	0.4
87.04513	20.9
97.06571	2.4
99.00894	2.1
101.02417	2.6
101.06081	1.6
113.02399	1.0
115.07645	3.4
120.34898	0.4
123.08126	1.7
125.06073	4.1
131.03470	0.8
132.02533	0.4
139.07664	3.0
141.09244	0.9
157.08701	1.6
159.10275	18.8
311.29361	0.5
327.23245	0.5
350.17825	0.5
371.25882	3.4
385.27417	1.8
389.27090	4.5
391.14252	0.5
401.30383	0.9
473.32700	2.9
489.35873	0.9
501.54871	0.5
503.30032	0.5
507.36911	6.3
639.41254	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51423	1.6
50.61745	1.4
50.79104	1.5
51.24228	1.6
52.81420	1.6
57.99265	1.9
60.67176	1.5
66.56330	1.6
70.83767	1.8
77.37450	1.8
82.06216	2.1
83.27806	1.7
90.60432	2.0
92.07973	1.9
92.23222	1.9
96.54633	1.6
96.96001	100.0
119.32931	2.1
125.02390	2.2
129.38234	1.8
144.88086	1.7
503.59503	2.3
511.57339	2.1
545.23682	3.2
552.85443	2.0
642.44714	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	641.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89785	1.9
57.03454	63.7
58.18144	2.0
59.01100	4.2
59.01384	96.3
71.01383	27.1
73.02945	21.8
83.01390	4.7
85.02969	9.6
89.02448	11.5
91.29433	2.2
99.04517	52.3
101.02464	24.5
113.02434	18.4
125.02436	37.1
143.03511	3.9
151.07565	7.8
152.08427	23.3
153.09135	16.1
161.04543	4.3
161.09712	4.9
165.01956	2.9
187.11307	9.0
231.13898	42.1
243.19954	2.5
249.14966	22.0
271.06186	3.5
299.05585	12.3
352.59174	2.6
391.23331	2.5
393.18921	20.2
411.19696	3.0
435.20410	24.8
448.02560	3.0
453.21362	100.0
495.22382	20.8
539.12561	4.6
597.25519	56.2
641.30505	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	641.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09467	0.5
57.90399	0.6
59.01373	0.8
116.80623	0.6
116.92825	3.6
134.06100	3.6
140.21692	0.6
153.53180	0.6
153.73776	0.6
171.10196	0.8
211.13139	0.7
213.10365	1.1
282.09979	0.9
333.12375	1.2
345.83328	0.7
371.12631	0.8
393.14645	2.6
451.17810	3.1
452.18652	5.2
453.19592	1.0
461.16315	0.8
464.14972	1.1
465.19617	3.0
466.20297	2.4
467.20990	7.5
475.14084	4.1
477.18661	1.0
479.17001	2.5
480.18137	2.7
488.14853	0.9
489.15762	9.5
493.19104	1.1
494.19522	6.0
495.20477	11.5
497.18527	0.9
502.16327	0.8
503.17252	2.9
504.17972	1.1
505.18729	7.2
511.19644	0.9
518.19617	7.6
523.20032	3.4
535.20105	1.1
539.19855	1.2
553.20880	3.2
554.21960	1.2
576.01788	0.7
591.22906	2.8
641.26263	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40326	0.9
59.01388	8.3
71.01375	7.2
87.00845	1.8
89.02454	8.8
96.95987	1.2
99.00888	10.6
101.02451	9.3
109.20055	1.1
113.02426	2.2
119.03478	2.2
125.02446	1.2
128.03557	1.4
130.87199	1.2
137.02403	1.0
139.40126	1.1
143.03441	1.4
162.17834	1.0
163.11249	4.8
173.08333	1.0
181.12373	15.3
199.13391	21.1
207.10292	21.1
221.06709	1.6
225.11337	57.3
226.19026	1.0
243.12396	23.4
277.52808	1.1
308.23471	1.1
374.30737	1.1
395.14188	1.1
623.25940	2.4
641.26605	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
57.03439	1.1
59.01381	16.7
64.11098	0.5
70.53574	0.5
70.90102	0.6
71.01373	11.8
71.54753	0.5
72.99319	1.0
73.02935	4.1
75.00886	0.8
83.01379	1.4
85.02941	4.0
87.00867	2.7
89.02437	22.1
97.02953	1.1
97.06564	0.6
99.00877	23.1
101.02444	12.4
113.02442	7.3
116.39192	0.6
119.03503	3.4
125.02434	19.3
125.09702	3.0
131.03500	2.2
131.07108	3.1
143.03506	1.1
149.04549	3.3
149.26373	0.6
161.04539	2.6
163.11301	6.2
173.08160	0.8
179.03502	1.2
179.05534	0.8
181.12372	17.9
191.05591	1.3
199.13405	14.0
207.08340	0.9
207.10271	22.3
209.52554	0.6
221.06631	3.1
225.11342	64.4
229.77081	0.7
243.12364	39.1
306.53430	0.8
335.07541	0.7
393.17493	0.7
432.19736	0.7
453.34161	0.7
457.26581	0.8
467.69278	0.8
479.12106	5.3
537.21954	10.9
555.22845	6.3
562.49847	0.8
597.24072	16.3
641.26733	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	641.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20908	2.1
59.01379	57.7
65.84659	2.3
71.01385	30.9
73.02930	5.6
85.02951	13.2
86.36794	2.5
89.02440	27.1
96.95980	2.7
99.00878	3.3
99.52940	2.4
101.02431	34.6
113.02428	21.5
114.63434	2.4
119.03489	4.6
134.03740	21.1
135.04071	10.2
145.03960	2.3
147.60641	3.0
149.06094	2.9
153.01903	3.8
160.83525	2.5
168.04506	3.6
175.04036	4.3
178.02698	3.4
193.05077	26.6
193.39671	2.4
194.05380	16.9
195.05661	9.9
233.07866	2.6
247.96635	2.8
260.94354	2.8
278.04492	2.5
320.59518	3.2
327.12350	3.5
339.12317	3.4
375.20157	11.7
417.21353	39.9
597.27679	100.0
641.19385	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	641.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20908	2.1
59.01379	57.7
65.84659	2.3
71.01385	30.9
73.02930	5.6
85.02951	13.2
86.36794	2.5
89.02440	27.1
96.95980	2.7
99.00878	3.3
99.52940	2.4
101.02431	34.6
113.02428	21.5
114.63434	2.4
119.03489	4.6
134.03740	21.1
135.04071	10.2
145.03960	2.3
147.60641	3.0
149.06094	2.9
153.01903	3.8
160.83525	2.5
168.04506	3.6
175.04036	4.3
178.02698	3.4
193.05077	26.6
193.39671	2.4
194.05380	16.9
195.05661	9.9
233.07866	2.6
247.96635	2.8
260.94354	2.8
278.04492	2.5
320.59518	3.2
327.12350	3.5
339.12317	3.4
375.20157	11.7
417.21353	39.9
597.27679	100.0
641.19385	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	641.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.8
59.57931	0.8
60.49801	0.8
64.83205	0.7
71.01377	7.6
73.02938	1.3
89.02450	8.3
92.26550	1.0
97.02970	1.2
99.00880	10.1
101.02474	6.7
113.02439	2.1
119.01208	0.8
119.03439	1.6
125.02420	1.4
125.09691	1.4
155.04456	0.9
163.11252	2.2
164.98389	1.0
181.12366	18.4
199.13402	26.2
207.10281	25.8
221.06708	1.5
225.11339	69.3
235.08154	1.0
243.12361	25.8
429.83475	1.0
509.34235	1.1
535.62799	1.1
623.25891	6.0
641.26691	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89513	0.5
52.22173	0.5
57.03432	0.6
59.01381	6.4
61.98830	0.6
62.11212	0.5
71.01374	1.1
73.02930	1.1
74.96178	0.7
78.65919	0.6
85.02937	0.9
96.95991	0.7
99.04486	1.2
101.02419	1.4
113.02400	1.3
114.64120	0.6
116.82071	0.6
117.03443	5.2
117.07130	0.6
134.03732	100.0
149.06059	14.2
160.01637	12.2
175.04007	20.1
178.02690	1.1
193.05058	90.3
291.18115	2.4
423.22290	0.7
447.22144	0.8
531.57251	0.7
599.27252	2.8
641.18109	1.2
641.28259	28.6
641.38666	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31945	0.6
56.45391	0.6
57.03445	5.2
59.01382	6.3
59.24931	0.6
59.39013	0.6
65.53935	0.8
71.01377	2.9
85.02940	1.1
95.27669	0.8
99.00919	0.9
99.04508	4.8
101.02421	3.6
103.84173	0.7
113.02392	1.4
117.03434	4.3
125.02389	1.0
132.02161	0.7
134.03732	88.5
140.21558	0.8
149.06064	13.1
160.01682	12.2
175.03983	20.8
178.02777	0.8
193.05051	100.0
212.52570	0.7
241.19733	0.7
246.01952	0.8
291.18161	1.5
310.31155	0.9
575.31342	0.9
581.35992	0.9
599.27100	13.1
641.28149	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	641.282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01617	1.8
57.03449	74.1
59.01383	92.9
71.01368	7.9
73.02929	2.4
85.02972	3.4
86.63839	2.0
90.98560	1.9
96.95971	3.6
99.00874	3.3
99.04510	100.0
101.02433	19.5
105.26783	1.8
113.02443	10.3
115.39914	1.8
125.02434	50.4
143.03519	4.3
161.04535	3.2
243.45175	1.6
259.15363	1.8
267.07272	18.7
272.65210	2.0
283.02502	2.9
358.21152	2.1
411.24051	2.4
453.24841	3.9
495.26184	13.6
553.29889	2.2
597.29163	41.6
641.27496	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	641.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11609	1.2
50.45278	1.3
53.05350	1.1
56.38877	1.4
57.03448	70.8
59.01106	3.5
59.01384	84.3
64.87312	1.3
69.50342	1.4
71.01378	8.2
73.02932	2.1
79.15965	1.5
85.02921	1.9
99.04515	100.0
99.05167	3.4
101.02449	18.4
105.72200	1.6
109.48962	1.6
113.02414	3.3
115.08958	1.7
125.02445	44.2
136.30579	1.8
143.03470	6.3
197.93633	1.9
287.44449	2.1
435.40341	2.1
453.24655	3.7
495.26276	12.5
528.28387	1.7
546.21790	2.0
553.29742	2.7
580.27765	2.0
596.32007	1.6
597.29114	30.6
641.28540	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	641.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20964	1.1
55.01876	1.6
57.03451	28.2
59.01382	25.8
71.01379	24.8
71.20107	1.2
72.99319	1.4
73.02950	12.4
73.03282	1.4
75.00857	1.6
81.03445	1.2
83.01375	5.7
85.02933	15.9
89.02438	4.7
95.01383	2.0
96.96033	1.5
97.02966	1.8
99.00869	7.9
99.04503	15.2
101.02432	43.4
109.46116	1.0
111.00872	8.6
113.02441	20.3
116.37743	1.0
116.92857	1.8
119.05015	5.7
125.02441	12.4
129.01918	1.9
143.03462	2.3
144.43512	1.1
147.03111	1.1
152.01129	1.0
159.02994	6.3
161.04546	11.6
163.04031	5.9
172.20743	1.1
179.05708	1.2
183.13902	2.1
184.75812	1.2
193.05026	1.3
211.50638	1.3
226.24245	1.1
317.19495	1.4
335.20801	18.0
350.77695	1.2
479.25125	10.0
497.26065	92.4
518.04028	1.3
528.89545	1.5
539.27106	14.1
554.31329	1.2
609.55505	1.2
641.21429	6.9
641.30396	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	6.9
71.01376	3.9
73.02935	11.0
83.04993	1.8
85.02943	44.6
87.00867	70.1
95.01384	2.4
97.02954	21.1
103.04007	10.4
113.02440	33.4
115.00330	10.7
129.01924	2.0
146.15227	1.7
146.36934	1.8
157.01390	10.8
173.04491	7.7
175.02432	16.0
217.03561	18.8
224.65240	1.7
255.12627	2.0
303.07275	8.6
321.08389	4.0
452.65582	2.0
539.12927	3.2
625.16223	10.9
643.17358	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67143	0.8
53.33680	0.9
53.62960	1.0
55.17526	1.0
64.48284	1.2
73.02911	1.2
85.36114	1.1
87.87046	1.3
89.33467	0.9
92.76146	1.2
116.92853	1.2
126.40218	1.1
126.79431	1.1
128.62910	1.1
152.03986	1.3
174.82530	1.2
245.33626	1.3
481.19415	1.7
483.19769	1.8
496.13541	8.7
497.14197	2.1
507.16885	2.5
508.17749	8.2
510.15488	11.6
511.16180	16.1
512.17188	5.1
523.20197	4.9
538.14777	5.7
540.16431	2.5
544.18805	5.9
553.17249	1.6
570.17999	1.7
615.92578	1.9
643.20587	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44993	0.3
70.36938	0.4
73.02950	0.7
79.86626	0.5
144.40410	0.5
171.65260	0.5
177.61899	0.5
223.53870	0.5
245.34341	0.4
278.32654	0.4
400.64645	0.5
456.18088	0.7
466.16284	0.5
468.18079	0.5
479.17142	1.5
480.18054	1.7
481.18942	0.9
493.15515	0.6
495.11697	0.5
495.17004	2.5
496.13278	6.6
497.15012	2.3
507.16641	1.6
508.17636	5.2
510.15433	21.0
511.16190	23.5
512.20416	4.3
513.17859	1.8
523.19946	2.5
526.18646	0.5
528.16931	0.5
534.15674	0.8
538.14893	10.0
539.16138	0.7
542.14185	0.6
544.20294	4.0
549.16888	0.6
553.17236	2.3
555.15533	0.7
567.18866	0.7
570.17712	2.8
583.17633	0.8
591.13531	0.6
643.20575	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	643.206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66192	1.2
53.29703	1.2
54.83169	1.3
57.03434	7.0
59.01384	13.5
72.67039	1.3
77.63927	1.4
87.31286	1.6
99.04500	14.4
105.55389	1.4
108.57825	1.4
116.92847	10.8
125.02414	1.5
130.61603	1.6
184.75821	1.5
225.19690	1.5
266.98688	1.7
303.66809	1.5
452.18393	7.5
464.18616	2.4
467.20874	8.6
477.19174	5.7
478.20306	10.4
479.20895	7.0
480.18240	15.4
481.18933	5.6
493.19046	2.1
494.19284	2.8
495.20490	71.4
508.17679	19.2
512.16937	13.7
523.19946	42.6
567.18890	68.2
599.34393	3.2
613.34058	2.0
623.86639	2.1
643.20526	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.9
58.95992	0.4
59.01385	0.6
64.82606	0.4
67.18500	0.4
73.67967	0.4
74.02476	0.6
79.95726	1.0
96.96002	100.0
98.95560	0.9
99.04513	1.9
125.02406	0.5
142.06683	0.6
161.93355	0.5
173.71310	0.4
219.34639	0.5
243.04045	0.5
392.12662	0.6
436.12119	0.8
545.24438	1.1
583.18945	2.7
643.15063	0.9
643.20825	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10636	0.6
57.03438	1.4
59.01380	4.2
69.88314	0.7
81.30265	0.8
83.01389	0.9
88.98875	0.9
92.92130	0.7
99.04503	4.0
113.02451	0.8
118.72046	0.8
123.00875	4.8
124.01637	7.3
124.74283	0.8
125.02435	20.2
137.02412	1.2
149.99586	18.5
151.00264	0.9
151.67938	0.9
165.12804	1.9
168.00636	100.0
169.01408	8.9
183.13940	9.1
222.47330	1.0
227.12810	0.8
249.98131	0.8
283.04843	1.0
299.10431	2.0
301.05640	4.4
643.22577	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	643.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.5
57.39460	0.5
59.01381	4.3
71.01363	0.9
74.93044	0.6
99.04527	1.0
101.02421	2.7
113.02449	0.7
117.03446	4.9
132.02226	0.7
134.03737	93.2
137.02429	0.7
149.06078	12.5
160.01645	9.5
161.04572	0.8
165.01949	0.7
167.09142	0.7
175.03998	15.9
178.02721	2.2
180.04347	2.8
181.05052	0.6
193.05069	100.0
195.06638	2.9
225.07730	1.9
249.13379	4.6
266.80856	0.7
381.17862	0.8
405.17459	0.8
523.35956	0.8
599.23529	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	643.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54462	0.6
57.03455	1.2
59.01373	6.5
64.56535	0.6
71.01363	1.0
73.02930	1.1
80.01694	0.6
85.02969	1.0
93.24111	0.7
99.04525	3.0
101.02448	2.5
113.02437	0.6
117.03433	3.7
125.02446	1.0
128.68648	0.7
134.03732	98.1
137.02440	0.6
141.99081	0.6
149.06078	12.5
160.01659	9.7
161.04448	1.1
175.03972	15.2
178.02785	1.1
193.05060	100.0
215.85474	0.7
249.13351	4.7
549.40582	0.6
599.23492	30.2
599.32513	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	643.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85851	1.8
57.03450	2.9
59.01380	2.0
59.85079	1.4
84.59074	1.6
91.00581	1.6
99.04504	2.3
116.92859	2.8
142.94659	2.0
174.06314	2.0
190.74010	1.8
493.19275	11.8
507.19611	3.3
520.17474	2.6
521.18280	2.3
525.17993	11.5
535.20007	13.7
539.19440	51.8
552.20081	3.4
643.24200	100.0
643.35089	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	643.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84971	0.5
52.13704	0.6
53.51556	0.5
53.51896	0.6
53.84843	0.5
56.79285	0.6
59.01379	100.0
71.01377	8.6
73.02940	6.5
80.31561	0.6
83.01370	1.3
85.02938	4.8
85.54814	0.7
89.71198	0.7
96.86558	0.7
99.00890	1.3
101.02444	13.9
113.02457	8.2
123.39397	0.7
123.51886	0.6
123.86498	0.7
126.10504	0.7
143.03503	0.7
159.03032	1.3
161.04570	10.4
168.54276	0.7
178.77654	0.7
209.05768	0.8
235.11874	35.9
277.12939	51.7
321.11871	1.0
331.65161	1.0
359.86465	0.7
396.54077	0.8
482.78656	0.9
551.88092	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
62.25575	0.8
67.97149	0.8
71.01370	8.3
73.02937	1.9
76.49026	0.7
76.49477	0.7
83.01364	0.9
85.02950	4.8
87.00848	0.9
99.00858	1.3
101.02430	18.8
101.32545	0.8
113.02451	7.8
145.15257	0.8
159.02983	1.3
161.04523	9.7
164.07162	1.3
166.12315	0.9
201.11359	1.3
206.08246	1.5
207.08488	1.4
214.80301	0.8
235.11880	38.8
277.12952	42.5
412.32428	1.0
643.25592	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	643.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97131	0.5
59.01382	100.0
62.93690	0.6
67.84693	0.5
71.01381	3.8
73.02937	1.3
83.01395	0.8
85.02940	2.2
89.02428	1.1
101.02431	8.4
106.76067	0.6
111.92685	0.5
113.02444	4.8
115.91225	0.6
116.13516	0.5
125.02429	0.5
150.03195	5.9
159.02960	1.1
161.04588	4.2
164.84938	0.6
165.02023	0.8
165.05556	21.0
180.04298	5.6
181.45155	0.7
195.06647	18.2
233.35306	0.6
235.11864	17.5
243.08855	0.6
247.82542	0.6
274.11990	2.0
275.12317	0.8
277.12946	29.4
343.88919	0.6
439.16031	11.8
481.17307	2.4
499.24774	0.7
643.27679	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43886	2.3
57.03452	87.7
59.01381	21.7
60.98949	2.5
68.62123	3.1
71.01376	4.3
71.42957	2.7
73.02917	4.0
75.48347	2.5
75.98283	3.6
96.96051	2.9
99.04517	89.8
101.02433	19.7
118.66170	3.2
125.02441	69.8
137.09734	41.1
156.70129	3.4
157.33658	3.1
239.10832	3.1
239.57932	3.0
251.16518	100.0
284.97839	3.3
437.22501	4.4
599.27686	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	645.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59024	0.3
61.04772	0.3
61.92425	0.3
65.86752	0.3
79.95734	1.4
90.83188	0.3
92.22541	0.4
94.98060	0.4
96.96004	100.0
97.68462	0.3
114.93371	0.3
117.03374	0.3
145.45197	0.4
255.02960	0.5
262.44873	0.4
281.67981	0.5
283.02475	1.3
298.04810	1.4
299.05719	1.5
442.69327	0.3
499.85925	0.5
503.12231	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	5.2
59.01384	4.1
66.74383	0.6
67.16261	0.6
70.02966	8.9
72.04556	1.2
74.02470	31.1
79.37257	0.6
85.66396	0.7
98.02483	6.3
101.02449	1.3
116.03520	20.5
116.05039	6.7
123.52818	0.6
142.06607	1.2
159.09239	1.5
173.65059	0.8
186.05527	1.0
201.10359	7.6
203.08281	68.7
245.09315	100.0
261.35959	0.8
289.08347	4.4
355.10361	3.2
383.13327	0.9
419.39117	0.7
601.26404	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80542	1.7
56.41888	2.0
57.03442	5.1
59.01374	5.6
99.04525	12.3
102.03310	2.0
109.28528	2.3
111.79261	2.2
113.55148	2.0
116.92830	9.4
124.09211	2.7
125.02392	2.8
131.44978	2.2
206.74434	2.4
296.64682	2.3
439.19904	2.5
452.18771	2.6
465.19495	3.8
467.21030	12.7
479.20831	4.6
495.20435	4.1
496.17746	10.1
507.20316	10.9
508.17606	21.3
509.18094	19.1
523.19989	11.0
536.17065	10.8
568.19836	22.1
583.22449	5.1
584.19061	4.1
601.15039	2.7
627.21033	10.4
645.22156	100.0
666.29657	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	645.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61621	1.5
57.44493	1.5
58.21323	1.8
59.01384	2.9
61.28013	1.9
62.30009	1.6
75.00876	2.9
82.03559	1.7
85.02937	3.1
100.02293	1.8
113.02410	3.7
115.30314	2.0
130.06242	2.1
148.64767	2.0
157.08707	8.1
167.50600	1.9
193.06523	2.1
216.33322	2.1
255.23277	30.5
419.22345	7.9
441.20547	3.7
453.20609	9.3
454.21338	7.9
460.22864	2.4
469.23871	37.6
470.24564	2.1
474.24475	6.4
475.25043	17.8
482.20944	6.7
483.21344	2.9
490.20346	24.9
491.20874	9.2
495.22107	13.4
497.23297	22.5
498.24078	8.6
513.22699	100.0
541.22125	14.4
558.13959	2.3
569.21710	24.6
573.24841	2.3
585.21265	78.6
586.22089	55.4
609.47754	3.4
645.23633	7.5
645.38446	34.6
667.30634	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	645.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99312	0.9
59.01381	33.4
69.22196	1.0
81.37122	1.0
85.02950	1.4
99.04523	1.1
112.87415	0.9
113.02423	2.1
113.28350	0.9
115.92377	0.9
119.04984	2.3
134.03726	1.7
147.04523	87.5
149.06076	4.7
163.04030	2.4
165.05562	100.0
175.04015	4.1
207.06639	68.6
328.75208	1.0
405.42609	1.1
645.19708	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	645.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92339	1.0
52.92220	1.0
58.32079	1.0
59.01377	31.7
72.99304	1.2
75.00866	1.9
103.34959	1.2
119.05003	6.4
147.03317	2.0
147.04515	75.7
163.04028	14.0
165.05557	100.0
179.05571	14.5
207.06642	56.6
223.81526	1.2
289.03400	1.1
325.09314	17.3
626.60565	1.1
645.21313	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	645.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92339	1.0
52.92220	1.0
58.32079	1.0
59.01377	31.7
72.99304	1.2
75.00866	1.9
103.34959	1.2
119.05003	6.4
147.03317	2.0
147.04515	75.7
163.04028	14.0
165.05557	100.0
179.05571	14.5
207.06642	56.6
223.81526	1.2
289.03400	1.1
325.09314	17.3
626.60565	1.1
645.21313	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	645.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.6
57.44379	0.9
59.01379	17.2
69.99232	1.1
71.01375	28.6
71.67104	1.0
72.99332	1.0
73.02931	13.8
81.54525	1.2
83.01392	1.5
85.02946	14.6
87.00854	2.7
89.02444	9.6
95.01367	1.6
97.02909	2.1
99.00867	5.2
99.04526	2.3
101.02434	48.3
102.23875	1.1
109.03343	1.1
111.00834	1.1
113.02462	19.0
125.02424	5.6
125.06027	1.4
131.03481	2.5
143.03499	4.2
159.02977	4.7
161.04538	21.5
177.59683	1.4
185.06702	1.1
233.06728	1.4
273.63940	1.1
283.02374	4.8
291.18158	39.0
298.04785	11.8
402.26868	1.3
423.22397	44.7
472.36258	1.2
585.27673	100.0
601.28943	1.9
607.16492	6.6
616.70624	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	645.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62214	1.7
58.39582	1.8
68.50973	1.8
71.52868	1.7
73.30334	1.9
99.08172	2.3
113.09718	7.8
124.56303	2.1
126.68991	1.9
129.09247	6.7
132.36789	1.9
139.11324	11.4
165.12793	3.5
171.10272	21.3
178.61882	2.5
181.12328	3.7
185.11861	2.3
193.08427	3.2
197.11833	11.5
199.13374	4.2
201.11382	2.3
207.10010	12.6
211.13397	26.5
215.10640	2.8
219.10060	15.7
233.11584	27.2
275.20230	3.5
293.21237	18.2
311.22314	100.0
311.37970	1.9
315.15881	2.3
315.19470	9.2
333.20514	19.4
644.82294	2.4
645.32831	3.2
645.43616	95.6
668.43970	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	645.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80383	2.4
110.57063	2.6
113.33262	2.6
115.25578	2.7
124.43901	2.9
171.10281	3.8
181.12430	4.0
186.39162	3.0
197.11861	18.9
197.19716	2.9
199.13423	12.7
211.13329	23.4
215.10582	13.3
233.11598	52.6
249.87871	3.5
293.21381	33.0
311.22339	78.4
333.20682	4.1
389.49484	4.1
504.26755	3.9
535.62555	3.0
645.43671	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.4383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52563	0.9
61.55953	1.0
63.27662	1.0
64.60580	1.0
77.50322	1.2
94.98054	1.7
102.65256	1.2
109.80278	1.1
167.14389	2.5
193.15968	2.0
207.17528	2.2
213.68245	1.4
226.49989	1.2
249.18683	10.8
267.19669	77.2
275.16519	13.8
277.21747	71.8
277.26285	1.6
293.17599	33.9
311.18542	2.6
367.21310	1.6
464.10739	1.3
558.03748	1.5
616.11676	1.3
627.15607	1.4
627.42297	4.5
645.43799	100.0
647.87109	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	647.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05085	0.8
55.40715	0.9
57.03445	5.4
59.01380	8.4
62.18871	0.9
64.66702	0.8
87.15652	1.1
96.96005	69.1
97.95922	1.2
98.95592	38.0
98.96426	5.0
99.04501	4.0
99.92583	31.9
100.93360	8.1
115.92065	17.5
116.92854	100.0
125.02431	3.9
125.09385	1.3
141.93579	2.1
142.94479	1.4
184.91948	1.9
212.94902	1.9
243.96773	2.6
261.97852	1.9
262.93100	1.4
269.04584	2.1
283.02509	5.5
292.09613	1.1
298.04852	6.1
299.05612	2.6
337.57928	1.2
338.95914	2.6
365.94803	4.3
367.96097	1.5
380.97174	6.7
381.97842	1.3
382.98730	1.5
396.96783	1.2
397.97263	6.5
398.97961	4.3
459.25851	1.3
482.75037	1.1
494.40775	1.2
561.03461	2.1
603.04510	21.5
603.30103	2.1
647.03540	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	647.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
69.71273	0.5
78.95895	1.6
96.96983	0.5
102.21648	0.5
102.24448	0.5
110.03600	3.5
111.01997	100.0
145.62277	0.5
192.15570	0.5
207.04161	0.7
304.03320	0.7
305.01816	35.2
318.69586	0.4
333.90005	0.4
428.06665	0.5
469.43427	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.135
Annotation	Unknow
Peak:m/z	Relative Intensity
60.60883	0.6
65.92417	0.5
66.00507	0.5
67.60118	0.5
78.95911	0.8
82.56592	0.6
83.42063	0.7
96.35768	0.6
111.01996	100.0
161.42253	0.7
218.78671	0.7
305.01843	39.5
334.30679	0.7
434.42212	0.7
535.17023	0.8
647.12451	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.4
65.97455	0.9
74.81522	0.8
92.65047	1.1
101.02449	4.0
102.54868	1.1
163.04024	1.6
164.04788	6.3
172.03418	1.0
175.00406	2.0
175.03996	1.7
190.02722	25.9
193.05113	1.0
193.07155	2.0
205.05064	100.0
207.02930	1.0
208.03781	1.8
209.04588	2.0
223.06116	7.2
225.80968	1.0
310.70810	1.0
369.08307	4.7
384.10614	11.5
399.12985	95.1
441.14038	1.4
641.63196	1.3
647.21552	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	647.199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86637	1.7
53.70444	1.9
57.03447	2.1
59.01379	63.0
61.72210	1.9
66.55448	2.1
66.55818	1.7
72.57845	2.0
74.87231	1.7
77.91124	2.3
79.57549	1.9
96.61331	2.5
99.04513	2.8
113.02441	2.2
117.71991	2.1
123.04515	2.4
125.02353	2.1
203.07182	2.8
261.05457	3.8
262.06049	2.3
263.07114	4.7
278.09445	14.3
279.06638	30.2
291.06702	3.7
294.09103	36.8
304.39279	2.1
309.11368	100.0
321.11292	3.8
339.12292	9.1
347.41898	2.2
369.13571	3.1
381.13541	35.4
542.62823	2.6
603.23358	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	647.237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02648	1.0
57.58952	1.3
59.01365	2.8
61.98821	2.5
62.49823	1.0
64.71522	1.1
73.02953	1.7
74.27699	1.1
82.66961	1.1
116.92886	1.8
177.78636	1.6
178.30342	1.2
279.93573	1.2
301.72168	1.4
391.68091	1.2
421.78238	1.3
427.14200	2.5
441.15820	2.9
442.16452	39.1
455.17450	4.2
456.17908	13.3
457.18680	15.0
469.18927	14.3
470.19336	2.3
471.20306	12.7
474.15561	43.9
483.20407	13.8
484.21252	7.6
486.15540	2.7
488.17007	22.6
499.23770	22.1
501.17700	27.9
502.18765	5.2
513.21765	9.0
518.14722	2.7
541.88641	1.3
543.22522	22.1
573.19940	8.5
587.21588	100.0
606.87152	1.4
636.99371	1.4
647.38422	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	647.292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03191	5.1
57.03451	81.1
57.04995	2.9
59.01107	3.7
59.01385	100.0
71.01389	14.3
73.02937	4.7
89.02445	6.6
99.04511	85.6
101.02479	19.9
105.21111	3.1
111.00151	3.6
113.02427	12.2
119.03475	4.5
125.02419	31.0
142.95758	2.7
176.30185	3.2
299.41171	3.1
399.23981	6.1
459.26199	40.0
501.27048	15.4
603.30548	35.4
620.79926	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	647.365
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	7.4
59.01383	45.7
71.01377	24.6
71.01778	0.7
73.02934	2.7
74.48862	0.5
83.01385	2.2
85.02933	6.8
87.00875	1.1
89.02435	24.4
92.23146	0.5
95.01380	2.4
99.00870	1.0
99.04498	5.1
101.02442	18.1
113.02438	12.2
119.03475	6.8
125.02470	4.1
139.83072	0.6
161.04419	0.5
179.05653	2.3
204.84013	0.5
485.31219	1.3
503.32111	3.6
534.42645	0.6
544.47351	0.7
647.36670	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	647.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29622	0.9
54.49522	0.9
55.01884	1.3
57.03166	1.0
57.03453	39.5
59.01382	51.7
71.01384	26.5
73.02934	9.9
75.07838	1.0
77.42749	1.1
83.01387	7.5
85.02938	13.0
89.02435	4.7
95.01379	2.3
96.96017	1.7
99.00894	2.1
99.04515	26.9
101.02439	36.2
112.01731	1.2
113.02433	14.4
116.92873	1.3
119.03510	1.3
122.45788	1.3
125.02419	12.3
143.03510	1.9
145.47951	1.1
161.04477	2.2
195.45317	1.2
213.18613	9.4
290.60242	1.3
475.37234	1.3
485.31430	1.9
503.32306	100.0
545.33435	30.8
603.34277	1.7
647.36877	64.9
677.59052	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	647.365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52313	1.3
57.03453	61.0
59.01107	2.6
59.01382	54.7
67.19401	1.2
71.01376	23.0
72.11510	1.5
72.98037	1.3
73.02954	11.4
81.03418	2.0
82.42307	1.4
83.01380	3.5
83.16823	1.4
85.02943	11.8
89.02434	6.8
91.50590	1.9
95.01402	1.9
96.95974	1.9
99.00864	3.2
99.04508	43.7
101.02439	37.7
104.30692	1.5
111.00839	2.5
113.02422	15.5
119.03465	2.0
125.02422	26.1
143.03484	1.7
159.02982	1.9
161.04532	2.6
267.38303	1.5
281.24985	2.0
291.56265	1.5
302.66269	1.5
311.25800	2.0
337.37354	1.5
341.26923	2.0
485.31250	14.4
503.32327	100.0
545.33356	15.5
585.36169	1.8
587.33557	2.2
647.36743	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	647.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92263	0.6
56.29715	0.6
57.03447	1.8
57.12280	0.6
59.01373	2.9
59.65921	0.7
71.01362	1.8
74.88155	0.6
75.00455	1.3
75.00868	29.4
76.01603	0.7
85.02946	26.4
87.00845	1.0
92.22569	1.0
93.52213	0.6
95.01389	1.0
99.00871	0.7
113.02439	28.0
116.01137	4.6
117.01917	1.1
128.67480	0.7
129.01920	1.5
144.74060	0.9
157.01416	1.8
175.02505	1.1
257.01959	0.8
407.42664	1.0
423.32654	3.9
469.33069	1.7
471.34802	18.0
558.55646	0.9
647.38074	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64690	0.5
55.01887	0.5
57.03444	3.4
59.01381	47.5
64.61380	0.7
71.01376	22.9
73.02937	1.0
85.02941	4.7
88.71847	0.6
89.02440	25.4
95.01376	0.9
99.00880	0.5
99.04513	3.1
101.02439	18.4
113.02445	10.8
119.03482	8.2
156.61986	0.6
179.05524	0.8
221.85600	0.7
260.91135	0.6
270.30521	0.6
289.59103	0.7
310.19272	1.2
311.20206	21.7
335.19876	0.9
337.21796	3.2
355.22528	0.8
419.29736	5.8
421.31290	1.1
437.30524	5.5
599.36011	17.2
617.37091	4.4
647.38098	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	4.1
59.10363	0.7
61.04683	0.7
61.98822	1.8
81.83160	0.7
108.84059	0.7
122.71652	0.9
149.52652	0.9
167.14395	4.9
193.16051	1.0
203.45549	1.0
207.17528	3.0
209.29892	0.8
244.87753	0.8
249.18576	7.3
267.19675	72.2
275.16574	11.5
279.23312	79.3
293.17618	30.8
298.25760	0.8
303.01328	0.9
311.18570	1.4
367.21497	1.0
492.26285	0.8
629.44250	1.3
647.45380	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.4902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51420	1.1
54.78926	1.3
59.77466	1.3
69.13632	1.3
73.73777	1.5
83.69633	1.6
86.89449	1.6
101.69093	1.3
112.35023	1.3
133.62161	1.3
136.59508	1.4
188.21198	1.4
195.13969	2.1
205.12384	1.7
223.13425	23.0
279.23239	2.6
399.36353	3.4
411.36523	2.3
443.35355	8.0
455.35168	2.8
493.43555	2.0
537.43359	2.7
538.71887	1.7
552.47083	1.6
555.44159	9.5
573.45251	12.3
647.49023	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.178
Annotation	6-Methoxykaempferol 3-rhamnoside-7-(4'''-acetylrhamnoside)
Peak:m/z	Relative Intensity
57.03436	0.2
59.01382	0.3
59.74201	0.2
71.89970	0.3
85.38120	0.2
129.79333	0.3
165.01938	1.8
165.76474	0.3
177.00136	0.3
255.03017	8.1
256.03806	0.4
269.04556	1.1
271.06116	1.1
283.02499	100.0
284.03271	2.6
297.97845	0.3
298.04852	88.4
299.05637	6.2
649.17822	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	649.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59721	0.9
52.76813	0.9
57.03448	2.6
59.01380	19.0
62.31536	1.0
63.58087	1.0
66.92044	1.2
68.98105	1.1
70.90219	0.9
71.01379	8.6
72.99304	2.4
73.02940	1.9
75.00858	14.9
81.25256	1.0
85.02930	11.9
89.02414	2.2
94.69908	1.1
95.01360	1.2
99.00853	4.7
101.02461	2.2
113.02441	12.2
116.03532	1.1
119.05019	56.7
128.03531	2.0
129.01915	4.2
131.03764	1.7
132.04527	2.5
132.92732	1.0
134.03705	2.4
145.03003	2.4
147.02966	9.1
149.06059	1.7
158.06105	2.0
160.01665	13.3
161.02399	7.0
163.04008	100.0
165.04047	1.9
175.04007	51.3
175.08788	4.4
179.03513	1.8
187.11287	1.2
193.05037	8.4
203.05930	8.4
205.12239	1.2
217.09561	1.3
219.07706	4.9
235.06165	1.1
249.06175	7.9
261.08807	12.4
267.07205	10.1
337.09338	9.5
343.13080	2.3
417.49237	1.3
501.13962	19.8
517.19495	8.5
525.36823	1.2
541.42450	1.4
605.22821	13.9
631.17084	1.5
649.16174	76.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	4.3
71.01376	3.9
73.02949	2.6
77.92789	2.3
88.04023	10.2
90.95220	2.1
99.00881	2.8
101.02430	2.8
102.44083	2.5
105.95111	2.2
113.02440	4.2
115.08770	4.3
128.03532	57.9
155.08212	11.0
157.09842	20.2
171.65430	2.5
175.03996	14.9
185.05695	2.5
190.06432	20.3
191.07117	3.6
199.07275	25.3
218.05835	4.7
222.05360	14.3
228.10263	3.4
279.06650	5.2
283.06055	3.1
291.06628	4.8
294.08948	3.1
295.06030	12.8
304.16699	11.4
306.09036	16.6
307.06128	38.4
309.07761	24.8
310.08539	48.3
311.09161	4.1
321.07590	3.6
322.08490	86.8
323.09302	3.9
324.10013	16.1
325.10873	54.7
337.10837	100.0
361.18829	2.7
362.17166	4.2
425.63577	2.9
430.31885	2.8
578.38208	2.5
631.20447	48.2
649.20844	49.1
649.30420	88.9
668.25763	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	649.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55790	0.5
58.02966	1.3
59.01375	2.5
59.50613	0.5
66.94930	0.5
67.85541	0.5
71.35905	0.4
71.89374	0.5
74.02466	5.7
84.04530	6.2
85.02954	0.9
92.05072	1.0
98.02467	4.0
110.02435	2.2
110.06110	0.6
113.02432	1.1
116.03517	6.3
122.06113	1.1
127.17110	0.6
128.03535	20.8
128.13568	0.6
131.03751	3.6
131.18175	0.5
132.04553	18.1
144.04529	11.4
157.07706	5.5
158.06119	7.4
163.03940	0.8
175.08739	8.1
188.03532	3.7
191.69440	0.7
199.08788	3.3
201.06709	3.4
203.05907	47.6
204.06621	2.9
217.09842	2.3
219.07755	10.5
243.07814	2.2
258.93613	0.6
261.08826	17.6
267.07193	2.2
313.11862	2.4
325.11945	9.3
343.12946	8.9
391.56656	0.7
517.19153	0.9
573.20081	1.3
605.22607	100.0
649.23804	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	649.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54169	0.7
55.01891	0.8
55.71269	0.6
56.29081	0.8
56.90470	0.7
57.03453	1.8
57.28726	0.8
59.01380	20.8
61.33129	0.7
69.03462	1.0
71.01369	14.6
71.33441	0.8
73.02926	1.3
75.00854	9.9
79.18249	0.7
83.01411	1.0
83.22771	0.7
85.02946	13.4
87.00856	9.4
89.02426	7.3
94.74626	1.0
95.01388	3.6
99.00864	7.9
101.02432	2.0
103.00379	3.8
113.02437	40.9
113.03201	1.6
117.01939	1.3
119.05022	8.6
129.01929	1.9
131.03506	1.1
131.86905	1.1
149.04533	1.1
161.02309	1.1
161.09720	3.3
161.13333	3.4
163.03999	10.7
171.43452	0.9
175.02507	3.2
175.04050	5.3
187.11302	4.6
189.09175	1.3
205.12350	1.9
207.05156	4.0
207.10359	1.3
219.08180	0.9
249.06151	18.9
267.07214	56.6
444.05417	1.0
499.17624	1.0
501.14328	3.2
517.19305	37.4
518.73419	0.9
649.23877	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71359	0.8
52.85835	0.7
57.39339	0.7
57.41730	0.7
64.83477	1.1
67.38306	0.9
73.04063	1.5
92.22501	1.4
93.03474	7.4
96.95988	1.6
130.08737	36.4
137.02443	35.4
143.11942	9.2
187.10893	87.6
191.07126	1.1
199.10910	1.2
217.11945	100.0
236.74138	1.0
280.94205	1.0
431.11966	28.2
460.41470	1.0
548.58978	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24455	1.2
60.38809	1.2
64.34139	1.1
67.12153	1.1
74.02460	6.1
77.23296	1.3
79.91385	1.2
86.02460	1.9
88.04031	8.8
89.02441	1.5
99.00901	1.6
115.08758	6.9
125.03497	2.0
127.05107	2.1
128.03526	68.7
131.04576	1.7
141.06682	2.2
151.08777	1.7
155.08258	12.8
157.09792	21.0
175.03897	4.9
185.05649	7.2
186.05676	2.5
190.06465	5.6
199.07249	27.7
203.08391	3.0
222.05399	5.6
228.10341	3.5
279.06781	2.5
294.08911	1.9
295.06244	7.0
304.16684	9.1
306.08923	5.5
307.06140	18.8
309.07782	11.2
310.08539	22.1
311.09222	2.4
321.07834	1.6
322.08517	40.0
324.10126	5.9
325.10767	20.8
337.10861	42.9
361.18698	2.2
362.17090	2.4
442.97855	1.7
631.20294	23.9
649.29327	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32605	2.2
57.03450	95.6
59.01106	4.4
59.01381	77.7
92.23234	3.1
99.04505	100.0
101.02423	16.1
125.02446	37.1
143.03514	4.5
172.37938	3.0
180.90820	3.4
223.46640	2.6
267.43826	2.7
322.66547	2.9
341.60931	2.9
458.93951	3.0
459.38892	3.5
461.31168	13.6
503.32343	11.2
605.35211	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	649.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49138	10.8
59.01365	13.6
62.47686	11.2
64.76294	10.9
101.12797	14.7
107.71351	12.4
117.32681	13.8
467.32999	12.9
552.11304	13.7
565.75824	14.1
623.86163	14.1
649.34369	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74389	1.7
57.03449	55.8
58.68960	1.7
59.01103	2.5
59.01379	45.9
59.70134	2.0
61.48114	1.7
71.01384	19.2
73.02942	10.6
77.89871	1.7
78.59056	1.8
83.01376	3.4
84.15554	1.7
85.02945	10.5
86.52882	1.7
89.02432	4.1
93.57555	1.8
95.01382	3.0
99.04510	51.3
101.02434	32.5
113.02439	11.5
125.02445	29.0
137.60472	2.0
143.03502	2.9
161.04572	2.4
201.44933	2.0
229.18069	11.4
239.35147	2.3
263.60504	1.9
283.02457	2.9
294.80551	2.2
301.41763	2.0
358.83868	2.1
373.22351	2.3
397.83115	2.1
461.15265	2.5
487.32785	29.0
505.33856	76.0
547.35559	16.4
649.38129	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90358	1.0
56.10460	1.3
57.03450	64.9
59.01102	2.5
59.01381	51.9
71.01382	16.1
73.02937	5.3
76.90351	1.5
81.03457	1.5
83.01377	3.3
85.02956	11.8
92.22461	1.3
99.04507	61.6
101.02441	22.7
111.00894	1.6
113.02430	9.0
125.02433	30.6
130.75941	1.2
143.03474	2.8
159.02953	2.0
161.04561	2.3
177.73058	1.3
193.10205	1.4
201.82097	1.2
229.18097	10.3
308.67648	1.6
314.17715	1.5
433.49622	1.5
456.33627	1.5
487.32813	21.9
505.33881	55.6
547.35022	17.7
587.38593	1.8
605.39441	1.7
649.38184	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	649.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	63.9
57.48294	0.9
59.01382	68.8
71.01376	16.1
71.41801	1.0
73.02925	5.3
73.88394	1.1
83.01378	2.3
85.02950	8.6
89.02441	11.6
92.34914	1.1
94.84306	1.0
95.01387	2.2
99.00874	1.9
99.04514	85.5
99.05161	2.9
101.02444	31.3
108.25697	1.2
113.02460	11.9
119.03457	2.4
125.02438	42.1
143.03482	4.7
159.03062	1.7
161.04546	2.3
173.88876	1.1
179.05638	2.2
206.02435	1.3
229.18053	4.8
283.02371	6.3
284.03329	1.8
298.04749	8.2
299.05624	7.0
369.73059	1.3
391.23318	2.0
411.99057	1.2
429.39960	1.3
487.32861	32.5
503.12036	2.0
505.33875	48.8
547.35052	16.4
587.37640	2.3
589.31970	1.8
605.31323	2.0
605.40002	1.7
610.32898	1.3
649.17224	2.1
649.38300	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	649.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	77.4
58.42769	0.8
59.01381	59.3
70.23275	1.0
71.01373	23.1
71.07466	0.9
72.22341	1.1
73.02937	10.6
75.00865	1.1
83.01390	8.4
85.02937	15.6
87.00846	1.4
89.02423	4.7
95.01406	1.7
99.00877	4.9
99.04511	52.2
100.98466	1.0
101.02432	39.1
111.00873	5.6
111.08144	6.2
113.02435	16.0
116.56702	1.0
120.58025	1.1
125.02431	34.5
129.01918	1.7
143.03453	6.4
159.02992	2.0
161.04532	5.6
209.11818	2.5
213.18565	2.3
215.08441	1.1
216.66533	1.2
267.56204	1.1
280.60263	1.2
325.27463	5.6
343.28464	5.0
348.84167	1.1
487.32794	26.6
496.56985	1.2
505.33859	98.6
512.98260	1.7
547.34979	20.7
587.38708	2.0
649.38257	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	59.3
59.01105	1.7
59.01381	38.9
71.01373	15.8
71.40493	1.1
73.02943	7.0
79.69279	1.1
83.01389	6.9
85.02946	12.1
89.02434	1.5
92.23229	1.4
93.07082	1.4
99.00849	2.7
99.04516	45.5
101.02440	34.2
113.02431	11.8
125.02440	23.5
159.02940	1.6
161.04494	6.1
171.13867	2.5
183.13885	1.4
215.78516	1.4
284.31689	1.3
343.28406	1.9
375.10464	1.3
475.58261	1.3
487.32889	23.7
505.33911	87.0
547.34973	19.0
609.19055	1.5
649.38196	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03541	1.0
57.03239	1.0
57.03453	16.0
59.01378	76.4
69.57105	1.2
71.01374	37.6
73.02915	1.3
78.16309	1.3
78.60155	1.3
83.01367	1.5
85.02934	7.6
85.87612	1.3
89.02435	44.9
95.01379	2.1
99.04516	17.2
101.02441	25.5
113.02439	19.0
119.03471	16.3
125.02406	8.1
143.03510	2.6
151.61900	1.2
161.04572	1.9
171.39166	1.3
179.05569	11.4
485.53241	1.3
487.32932	3.1
505.33942	26.0
547.34717	6.7
594.93207	1.5
649.39331	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.4
62.77883	0.6
72.61214	0.8
75.89761	0.9
94.44038	0.9
114.05206	0.8
134.47505	0.8
246.19356	0.8
423.32852	4.5
425.34241	1.9
441.33563	1.2
443.34927	1.4
469.33307	100.0
487.34393	90.7
649.39746	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	649.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	7.9
58.00613	1.1
59.01384	100.0
71.01379	48.2
71.05014	0.6
72.99310	2.1
73.02936	2.0
83.01414	2.0
85.02938	10.9
87.00868	2.4
89.02438	63.7
95.01366	4.1
99.00893	0.6
99.04513	8.4
101.02443	31.5
113.02448	23.6
113.06073	1.2
119.03497	23.8
125.02421	3.8
131.03510	3.1
143.03517	4.4
149.04539	0.6
149.50461	0.5
161.04552	7.1
174.69637	0.5
179.05618	21.6
236.74538	0.7
283.02380	1.1
298.04816	0.7
487.32651	0.7
505.33875	3.2
545.30261	0.6
547.35071	2.2
649.39600	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	649.433
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
71.01374	17.7
74.18845	0.9
76.88255	1.0
79.54118	0.8
85.02982	1.9
89.02443	27.0
99.66595	0.7
101.02448	10.1
113.02450	6.6
119.03501	9.3
130.34502	0.8
131.03552	1.3
137.67926	0.9
143.03467	1.5
161.04469	1.5
162.10010	0.8
179.05612	20.0
180.47000	1.0
345.10437	0.9
408.68234	1.0
432.28793	1.0
465.71265	1.1
534.69855	0.9
649.42969	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	651.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42068	0.5
54.52241	0.6
56.11600	0.7
57.32958	0.7
59.01381	5.4
70.40833	0.6
71.01376	3.0
73.02948	1.2
80.47542	0.7
85.02956	1.3
89.02457	2.6
91.45699	0.7
99.00891	5.4
101.02445	2.6
109.28878	0.7
113.02431	3.0
136.01646	7.3
151.00354	2.7
151.04002	50.3
164.50394	0.7
175.07649	0.7
178.99677	0.8
190.11183	0.7
195.76465	0.7
199.04103	0.7
239.91100	0.7
243.02962	13.6
255.02876	4.8
257.04523	4.8
271.02469	21.3
284.03220	1.0
285.04077	10.4
286.04861	4.8
299.01984	100.0
300.02878	11.3
313.03467	0.9
314.04355	79.9
315.05124	10.5
324.10269	0.8
325.28772	0.7
327.12305	2.7
339.12183	0.9
342.11102	3.6
357.13510	16.6
519.20221	0.9
651.15643	85.8
651.23737	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	651.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63585	0.8
51.31197	0.8
58.78370	0.9
59.01367	1.9
64.67985	0.9
71.01371	1.5
72.99313	1.6
73.02948	2.0
75.00866	11.2
81.03416	2.5
99.00870	7.1
99.04506	5.4
109.55821	1.2
119.05018	37.1
143.03493	9.0
146.17426	1.0
161.04530	13.4
161.09717	1.0
163.04005	100.0
179.05609	83.3
180.37811	1.0
196.30957	1.0
241.03131	1.0
250.62994	1.1
271.99582	1.2
300.66486	1.1
325.09329	95.7
390.18835	1.3
396.11307	1.5
477.89124	1.3
506.20294	1.1
651.25110	1.2
672.85175	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63585	0.8
51.31197	0.8
58.78370	0.9
59.01367	1.9
64.67985	0.9
71.01371	1.5
72.99313	1.6
73.02948	2.0
75.00866	11.2
81.03416	2.5
99.00870	7.1
99.04506	5.4
109.55821	1.2
119.05018	37.1
143.03493	9.0
146.17426	1.0
161.04530	13.4
161.09717	1.0
163.04005	100.0
179.05609	83.3
180.37811	1.0
196.30957	1.0
241.03131	1.0
250.62994	1.1
271.99582	1.2
300.66486	1.1
325.09329	95.7
390.18835	1.3
396.11307	1.5
477.89124	1.3
506.20294	1.1
651.25110	1.2
672.85175	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75397	0.3
59.01377	0.7
71.01371	0.4
73.02940	0.7
75.00867	0.5
81.03448	0.8
85.31670	0.3
87.00901	0.5
89.02451	0.5
99.00872	2.2
99.04499	0.8
103.98701	0.3
109.51753	0.3
118.68219	0.3
119.05013	27.4
143.03500	1.6
154.90793	0.3
161.04517	2.3
163.04008	100.0
166.71088	0.3
179.05620	10.0
302.59769	0.3
311.47528	0.4
325.09308	48.5
466.10638	0.4
487.78091	0.4
591.26733	0.4
645.91852	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.194
Annotation	Unknow
Peak:m/z	Relative Intensity
63.12982	0.5
73.02943	1.0
73.05210	0.4
75.00861	0.8
76.61277	0.5
81.03454	0.7
99.00882	2.1
99.04509	1.3
105.13041	0.5
119.05017	27.3
143.03514	1.2
149.27065	0.5
161.04530	2.4
163.04013	100.0
179.05637	11.0
243.49274	0.6
325.09329	48.0
418.74121	0.5
531.68195	0.6
533.35126	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57248	0.6
59.01372	1.3
60.93521	0.6
68.32570	0.7
68.62521	0.7
71.01363	1.6
81.85268	0.6
84.54275	0.6
101.02445	1.0
113.02479	1.6
116.92947	0.8
117.03457	5.7
119.04996	3.0
123.00886	1.4
124.01658	3.7
134.03737	89.6
138.03256	3.6
139.04013	9.1
149.06082	13.6
160.01680	6.6
161.04599	0.9
163.04065	1.1
174.47928	0.8
175.04024	10.0
178.02757	7.7
193.05063	100.0
238.42268	0.9
368.77231	0.8
387.14142	0.8
457.13220	3.2
651.19257	17.0
651.29834	1.1
660.96478	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60266	0.3
62.22039	0.3
73.02942	2.2
74.73110	0.3
74.86253	0.3
75.00873	2.8
77.24763	0.3
81.03454	1.7
83.63599	0.4
87.00883	1.9
92.22449	0.4
93.03527	0.3
96.95963	0.4
99.04518	0.8
119.05017	32.3
136.70399	0.4
140.15300	0.4
142.41743	0.3
143.03419	0.5
161.04568	6.1
163.04012	100.0
179.05629	7.5
179.08394	0.3
198.24857	0.4
325.09332	37.8
497.34064	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78712	0.3
54.04379	0.3
63.39706	0.3
64.27572	0.3
64.50076	0.3
71.60027	0.3
73.80198	0.3
85.73409	0.3
86.31796	0.3
130.76538	0.3
202.75177	0.3
268.03812	19.7
283.06140	100.0
401.99359	0.4
519.19202	0.4
591.17291	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	651.23
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.4
57.03423	0.4
59.01379	4.8
61.44579	0.3
71.01379	7.2
73.02941	2.5
75.00873	0.5
83.01357	1.5
85.02941	1.9
87.00852	0.4
89.02448	3.1
92.93536	0.4
99.00876	10.3
101.02440	5.2
112.12698	0.3
113.02430	2.8
122.03782	0.5
123.04533	0.4
128.15468	0.3
131.03461	0.7
136.01665	14.6
136.49132	0.4
137.02538	0.5
142.04886	0.3
151.04001	100.0
159.04619	0.3
160.05327	0.4
160.71941	0.3
161.04559	0.8
173.06070	0.5
175.07654	1.7
176.04741	0.5
177.05536	0.6
179.03510	0.4
191.05659	0.4
191.07127	3.1
193.05055	0.4
243.03085	0.7
260.19678	0.3
271.02545	2.1
285.03967	0.5
286.04779	0.4
293.08633	0.6
299.02026	10.0
300.02771	0.7
311.12961	0.8
314.04346	7.1
315.05289	0.7
324.10095	0.7
327.12253	5.3
339.12448	2.2
342.11090	6.2
343.11691	0.8
357.13461	27.5
403.14120	0.5
519.19434	0.8
525.53094	0.4
633.21930	0.8
651.23468	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	651.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40442	1.5
59.01384	3.8
61.22636	1.7
65.12347	1.6
71.01374	7.7
73.02946	3.2
98.94663	1.9
99.00883	11.0
101.02440	3.9
103.35837	1.6
104.61043	1.5
112.74585	1.7
113.02491	2.1
121.02946	1.8
134.03740	2.6
139.69722	1.7
150.03214	3.1
160.01624	6.2
165.05548	6.8
175.03999	30.1
193.05086	12.8
203.07059	1.7
222.05310	2.1
223.06024	1.8
260.69250	1.7
279.06491	2.9
281.08380	2.6
282.09247	3.0
293.08411	2.2
294.09073	7.5
297.07773	10.8
297.11218	3.1
308.10751	2.9
309.07721	35.5
309.11322	16.4
310.08438	2.0
311.09232	2.2
312.10089	38.8
323.09268	6.5
324.10052	71.4
325.10806	2.0
327.12393	72.6
339.12375	60.4
341.10425	2.2
352.83530	1.8
455.15762	20.2
621.21729	2.6
633.22058	24.5
651.23120	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15882	0.8
57.03440	0.8
58.62255	0.8
82.03561	1.0
99.27959	1.0
199.54076	0.9
222.80275	0.9
279.62079	0.9
452.94794	1.0
489.15555	11.5
491.17288	18.0
503.17459	1.5
504.18198	4.1
505.18976	14.4
506.19766	1.6
530.16309	1.1
531.16364	0.9
545.18793	8.4
549.18463	1.7
591.22675	40.7
609.48712	1.0
619.22131	1.8
651.24713	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09615	1.0
52.15150	1.2
53.51240	1.2
54.11953	1.1
55.88813	1.2
58.04506	1.2
58.51979	1.2
58.64931	1.2
58.71864	1.4
105.23578	2.0
151.64218	1.3
214.67488	1.7
230.43179	1.5
269.94653	1.5
433.20364	35.6
490.16568	43.5
505.18808	8.6
553.27234	1.5
592.23328	100.0
651.24182	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	651.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92124	1.1
56.25986	1.3
59.01370	1.3
59.75763	1.1
60.78751	1.1
61.96382	1.3
62.18210	1.3
73.04057	1.6
74.02428	1.5
78.59052	1.2
78.74546	1.2
84.66512	1.2
88.04029	28.3
88.98792	6.3
93.85839	1.4
99.05628	1.6
113.03559	1.5
141.06702	5.6
146.06146	2.0
164.30031	1.3
185.07185	2.0
187.10890	9.3
189.07085	16.0
200.14020	5.7
203.08269	21.7
210.37129	1.4
220.10867	3.3
257.16241	1.8
260.07446	2.2
301.15314	7.7
336.13956	1.7
351.15222	2.9
388.88586	1.7
393.16071	8.9
448.21933	5.4
621.27234	5.7
651.28259	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06581	1.2
57.03461	14.4
59.01384	86.0
60.21099	1.3
71.01382	53.8
72.99294	2.8
73.02944	8.2
74.02994	1.7
80.61340	1.3
83.01449	2.0
85.02965	16.6
87.00871	3.4
89.02435	50.0
92.23079	2.3
95.01362	7.3
99.00874	2.7
99.04520	7.0
101.02442	43.2
113.02444	33.6
119.03513	19.3
125.02453	2.9
143.03474	2.0
161.04553	3.5
179.05563	8.1
180.96080	1.7
185.01767	1.7
195.13957	26.0
197.87538	1.6
213.14944	12.3
283.02591	2.9
283.06143	3.8
284.02795	3.9
285.02939	3.8
298.04794	6.7
299.05304	3.0
300.05566	4.0
357.19211	19.2
375.20264	70.5
417.21344	3.9
421.24960	1.9
463.25415	2.8
507.24063	12.6
547.31219	6.4
565.32178	4.1
591.33807	9.2
597.86200	2.2
607.33429	11.1
612.30505	1.8
641.27295	1.8
651.18420	11.6
651.28851	100.0
651.41132	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	651.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.1
59.01369	6.9
71.01352	1.4
86.83813	1.2
99.04478	1.8
101.02471	1.7
153.25423	1.4
253.21809	2.4
591.22693	7.2
651.24878	20.3
651.36786	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42539	1.4
57.03452	87.6
57.47190	1.4
59.01101	2.9
59.01382	55.1
62.00734	1.4
69.32404	1.8
74.50454	1.5
77.63803	1.7
77.95482	1.7
81.03477	1.9
99.04515	100.0
99.05167	3.3
101.02460	12.6
105.74253	1.8
125.02423	47.1
143.03458	2.5
208.43988	1.9
255.23300	44.9
281.25003	2.5
346.00403	1.9
651.25348	5.6
651.36877	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	651.376
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18099	0.6
50.63348	0.5
51.66459	0.6
59.01387	1.3
72.99303	88.9
75.00869	1.2
79.24118	0.7
87.00862	5.5
91.55739	0.7
92.23054	0.7
93.80756	0.8
105.01929	91.7
117.01908	1.1
133.01405	1.3
161.00926	22.8
232.18025	0.7
349.00177	0.7
651.37592	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04916	0.9
58.72006	1.0
59.01384	16.4
59.39437	0.9
65.59153	1.0
69.37399	0.9
69.55614	0.9
71.01377	2.3
72.70856	1.0
72.99302	10.2
73.02937	14.0
74.12595	0.9
75.00873	50.9
87.04478	1.4
105.01923	8.2
117.01933	57.9
161.00929	1.6
277.97809	1.1
290.40399	1.3
332.28610	1.2
385.19174	1.2
409.07959	1.1
651.37616	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90898	0.5
55.01838	0.6
57.03442	4.4
59.01381	56.2
71.01379	27.4
73.02926	2.5
78.85606	0.6
82.25156	0.5
83.01357	2.4
84.75426	0.6
85.02946	7.4
87.00840	0.8
89.02438	28.2
95.01372	1.0
99.04546	4.2
101.02448	18.6
113.01743	0.9
113.02456	14.4
119.03488	10.0
125.02415	2.6
161.04576	1.1
168.16121	0.6
179.05591	1.3
239.73112	0.5
387.55167	0.7
530.59473	0.6
591.33545	0.8
607.33502	1.4
651.39716	100.0
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
53.22239	1.1
55.01871	1.3
57.03451	50.4
59.01107	1.7
59.01382	39.6
63.23391	1.4
71.01380	19.6
73.02934	7.1
74.34671	1.0
75.15317	0.9
83.01388	1.6
85.02945	11.1
89.02406	1.6
95.01365	2.0
96.60113	1.1
99.00894	4.8
99.03902	1.8
99.04513	42.5
101.02434	26.0
111.00847	2.6
113.02406	10.9
125.02435	23.0
143.03471	1.5
159.03012	1.4
160.52609	1.1
161.04524	5.5
180.56627	1.1
181.22404	1.0
183.13892	4.6
184.21761	1.1
213.18637	1.8
227.12885	5.9
299.25952	1.5
320.03763	1.3
332.08377	1.3
335.91718	1.2
345.30008	11.4
402.78021	1.3
489.34366	18.4
506.70865	1.4
507.35358	90.4
549.36475	21.5
550.73993	1.2
651.39722	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75565	0.2
51.93172	0.2
57.03457	1.1
58.00594	0.3
59.01383	62.1
60.43858	0.2
71.01379	31.8
71.79729	0.2
72.99308	1.1
73.02956	1.5
74.09061	0.3
77.12162	0.2
77.16520	0.2
83.01385	1.3
85.02945	5.6
87.00876	0.6
89.02438	43.6
92.23083	0.5
95.01394	2.1
101.02441	21.0
113.01649	0.6
113.02440	15.7
119.03495	14.8
125.02477	0.4
131.03510	1.2
143.03510	1.6
149.04526	1.1
161.04593	1.9
179.04152	0.6
179.05626	10.0
255.02988	0.5
256.03363	0.3
259.19208	0.4
283.02557	7.2
283.05756	0.6
284.02859	6.1
285.03040	4.9
298.04794	4.4
299.05197	5.9
300.05429	4.6
460.40576	0.3
463.25983	0.4
651.18567	14.5
651.41223	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.3
57.03447	1.2
58.00595	1.4
59.01381	57.5
67.42590	0.3
71.01377	33.7
72.99310	1.4
73.02958	1.2
80.17247	0.3
83.01398	1.6
85.02947	6.4
85.44165	0.3
87.00871	1.2
89.02436	45.2
92.23065	0.3
95.01376	3.1
96.16605	0.3
99.00868	0.3
101.02435	21.7
113.02435	16.3
119.03488	15.1
131.03531	0.4
140.11311	0.3
143.03500	1.2
143.06563	0.2
149.04543	0.5
161.04517	1.8
179.05609	8.4
259.19241	0.4
318.55472	0.3
351.72562	0.3
463.25665	0.3
500.76257	0.3
528.20575	0.3
547.82111	0.3
651.41241	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80784	0.4
55.80495	0.5
56.22088	0.5
57.03442	2.9
58.00584	0.5
59.01384	57.4
71.01379	28.9
72.99274	0.7
73.02958	2.5
77.91903	0.4
83.01390	0.9
85.02950	6.6
87.00864	0.8
89.02439	39.9
95.01373	3.0
99.04499	2.8
101.02439	22.4
113.02439	15.6
119.03503	14.1
125.02422	1.2
131.03465	0.9
143.03543	1.0
161.04515	1.1
179.05620	4.9
403.11533	0.6
429.55777	0.6
445.49118	0.6
453.89697	0.5
607.33368	0.7
651.41241	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59286	0.6
56.46380	0.7
57.03455	13.6
58.47103	0.8
59.01382	1.5
71.01357	0.9
75.92154	0.7
83.01421	1.1
83.05034	10.0
85.02949	11.0
87.00846	1.0
89.02458	1.4
96.96009	0.9
100.01688	0.7
101.02438	15.2
107.77372	0.8
111.04502	1.5
123.08155	7.1
125.09692	1.5
136.95518	0.9
247.16766	3.0
252.04097	0.8
263.20102	1.5
268.57266	0.9
289.21750	4.5
307.22794	3.9
377.23346	15.3
393.26501	11.0
398.51645	0.8
409.99176	0.9
410.86490	0.9
419.27881	3.0
501.00729	0.9
648.44012	1.1
651.41284	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	651.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76227	0.7
57.03442	4.7
58.00591	0.8
59.01383	65.6
59.73776	0.8
60.34549	0.7
67.20826	0.7
71.01377	32.9
73.02924	1.7
80.94493	0.8
83.01365	1.0
85.02951	7.5
87.00851	1.4
89.02439	41.6
95.01395	3.3
99.00912	1.0
99.04511	4.0
101.02445	22.2
113.02431	15.3
119.03496	13.6
125.02416	1.2
143.03546	0.9
161.04521	3.5
179.05611	5.3
243.94257	0.9
429.90207	1.0
463.21802	1.7
607.33911	1.6
651.41229	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	652.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15640	0.8
59.07636	0.7
72.28782	0.8
72.99309	9.6
73.48627	0.8
82.71345	1.0
99.08156	3.4
103.19656	0.9
106.11664	0.8
115.06855	1.9
115.07635	46.8
127.10336	0.9
129.05559	23.0
143.07147	21.9
148.33316	0.8
159.06618	1.8
205.07182	100.0
275.11496	1.5
360.17001	1.4
404.15811	4.3
446.18063	9.6
606.15991	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61778	1.4
54.10184	1.2
59.01381	2.8
63.58042	1.3
74.02475	3.4
74.92921	1.3
84.32559	1.4
103.93564	1.6
113.02409	1.4
116.03503	2.0
122.34271	1.5
130.06357	1.4
133.47427	1.6
135.04489	1.4
149.02397	10.7
150.03236	34.1
164.04791	10.2
165.05559	100.0
167.03465	3.5
175.07594	1.8
176.04771	2.0
179.03473	5.1
180.04337	6.0
191.07138	1.6
194.05856	13.7
195.06616	40.5
203.08235	3.4
205.08495	1.5
209.08218	18.3
245.09305	8.9
294.21524	1.5
327.70612	1.8
333.72632	1.7
342.11105	8.5
357.13452	28.4
363.04706	2.0
405.15591	39.7
412.65662	1.7
431.10730	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	653.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32567	0.7
57.03432	1.4
59.01107	1.6
59.01382	35.7
61.24732	0.8
63.43103	0.8
70.65730	0.8
71.01376	21.7
73.02923	4.4
77.72049	0.7
78.95900	100.0
83.01363	1.4
85.02936	2.2
87.00859	5.2
89.02438	24.7
95.01322	1.3
95.05978	0.8
97.02922	1.9
99.00867	1.2
99.04495	4.9
101.02442	22.6
113.02454	10.1
119.03464	3.4
125.02419	10.1
136.47984	0.9
143.03485	1.9
149.00063	3.5
161.04520	2.2
177.94232	0.9
235.08200	6.6
253.09329	1.0
255.23306	93.8
285.12686	9.8
305.08566	1.2
355.16840	6.1
385.17758	2.2
397.13538	73.5
415.14603	17.9
417.12454	1.2
447.13412	14.2
577.21332	3.5
621.19861	12.7
653.29913	70.1
659.73700	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	16.0
59.55641	0.5
66.67374	0.5
66.88995	0.5
69.78094	0.5
71.01375	9.5
72.99326	0.7
73.02929	0.7
75.00859	6.5
83.01414	0.7
85.02942	6.6
87.00858	2.9
89.02441	9.1
95.01354	2.9
98.33201	0.6
99.00870	4.2
99.04517	0.8
101.02450	2.8
103.00345	0.9
108.99551	0.6
113.02446	17.7
115.00357	1.1
119.03493	1.2
123.16846	0.6
128.67889	0.6
129.01913	0.9
135.11804	5.6
135.70380	0.6
157.01385	1.0
161.09644	1.0
175.02545	2.0
179.10780	19.3
189.04086	0.8
223.09839	5.1
231.05167	2.7
239.73708	0.6
249.06172	18.5
249.58824	0.6
267.07147	6.8
344.00671	0.6
411.12122	0.7
429.17633	1.0
473.16876	4.5
539.70770	0.7
586.39270	0.7
589.85742	0.7
653.23083	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14486	0.5
57.03433	3.0
59.01385	8.6
66.29749	0.7
69.03444	0.6
71.01378	10.0
71.68945	0.6
72.99297	1.1
73.02940	1.5
75.00864	7.3
76.74534	0.6
83.01373	0.7
85.02942	12.6
87.00842	3.3
89.02424	3.7
92.23087	0.9
93.76031	0.6
95.01366	1.5
99.00882	8.2
99.04500	1.5
101.02412	3.0
103.00345	0.8
113.02449	15.3
117.01917	1.3
129.01868	0.7
131.03461	0.7
133.44954	0.8
134.03743	8.9
149.06102	0.9
156.11087	0.7
160.01636	5.4
161.02463	2.7
165.12834	14.7
175.02573	2.0
175.03981	17.9
183.13901	74.2
193.03381	1.2
193.05026	10.2
209.11765	2.6
227.12889	7.2
249.06024	8.0
254.04793	0.7
267.07156	7.0
301.16626	0.7
415.19379	0.8
477.19901	10.5
501.89285	0.7
509.00485	0.8
549.32800	3.0
567.33911	1.3
588.66284	0.8
593.35773	1.3
609.35132	1.2
653.24609	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.9
59.01381	12.5
68.42022	0.6
71.01377	9.9
72.99306	3.2
73.02934	1.7
75.00846	7.4
83.01346	0.9
85.02946	11.3
85.03432	1.0
87.00867	2.5
89.02411	3.4
95.01362	3.0
99.00868	6.5
99.04503	1.3
101.02409	3.9
103.00383	0.7
108.06706	0.8
113.02433	16.1
113.49484	0.7
115.00354	0.9
117.01915	1.4
125.02418	1.6
128.85109	0.6
129.01945	1.0
134.03746	6.4
157.78433	0.9
160.01671	4.1
161.02498	0.8
165.12840	13.8
168.00667	0.8
175.02562	1.3
175.03951	13.2
183.13895	83.5
193.05067	6.7
209.11865	1.6
227.12904	8.1
231.05087	2.6
249.06096	9.0
267.07138	4.5
381.03882	0.7
477.19617	11.1
494.27298	0.8
549.32648	3.2
567.33630	1.5
593.35620	1.2
609.34814	4.7
653.24567	100.0
653.40277	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	653.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48968	1.5
57.03451	19.0
59.01384	41.9
63.05661	1.5
63.28200	1.6
68.64613	1.4
71.01385	14.1
71.93190	1.5
72.99302	1.6
73.02930	3.3
75.00875	9.5
77.70535	1.6
81.78612	1.8
83.01376	3.2
85.02951	17.9
86.92645	1.6
87.00866	3.9
87.83100	1.7
89.02430	11.2
95.01388	7.1
98.66035	1.8
99.00880	7.6
99.04501	18.6
101.02448	20.8
105.02434	1.8
111.00873	1.8
113.02449	25.8
125.02430	9.3
131.03540	2.3
134.03732	8.1
143.40356	2.0
148.06430	1.7
149.04610	18.0
161.02504	2.0
161.04526	1.9
165.12854	14.1
175.03979	12.3
183.13889	53.8
193.05150	14.0
193.06677	1.7
199.30371	1.5
209.11755	1.8
227.12970	3.9
245.49571	1.7
249.06178	4.1
257.25177	1.9
267.07086	12.8
358.85663	1.8
443.12027	3.0
477.19705	2.9
549.32941	20.5
567.34094	11.3
593.35516	3.5
609.35120	17.0
653.24872	100.0
653.41412	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	653.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09481	1.5
51.64182	1.4
52.03362	1.5
59.01376	2.6
67.00466	1.6
84.12768	1.8
86.75699	1.9
90.96043	1.6
99.04520	1.8
125.09628	2.1
133.24870	1.7
211.08792	1.8
239.11862	3.2
244.77519	1.8
358.19446	3.8
431.22549	6.6
444.19748	2.1
451.17905	3.4
460.20178	3.3
477.19760	3.0
486.20779	3.7
489.18909	12.8
492.17932	3.1
501.22861	2.5
502.20471	2.3
503.21185	10.3
518.23273	2.5
533.25348	3.0
561.21057	2.9
577.24567	37.4
594.24969	29.7
621.23657	44.9
653.26270	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	653.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98242	2.6
64.42406	2.4
79.65955	2.4
116.92889	3.3
153.57175	2.9
251.90794	2.9
445.24133	6.6
472.22330	11.4
473.23584	28.2
499.21457	19.2
500.22415	20.4
503.25027	3.9
512.18610	10.8
514.19781	5.0
517.22479	6.5
527.20941	79.1
528.21741	17.0
531.22394	6.1
532.24829	32.9
549.20770	3.6
559.23572	100.0
561.21655	3.0
576.23792	22.7
577.24677	18.5
591.26306	5.9
621.23694	23.8
635.25232	5.0
653.24432	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	653.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96622	0.8
66.67991	1.0
86.17599	1.0
188.94862	1.1
208.23518	1.0
346.03979	1.2
386.04514	1.0
445.20157	1.6
458.21167	4.7
459.22025	4.8
460.22968	1.6
461.23660	9.6
462.24142	6.2
471.22125	1.6
472.23157	8.0
473.23645	10.6
474.24188	5.2
475.21283	1.7
483.22104	4.9
484.23035	2.1
485.19800	6.7
486.20474	4.6
487.21429	5.3
489.19028	5.0
489.23474	4.4
499.21582	13.9
500.14883	1.9
500.22232	56.6
501.23062	41.4
503.20740	1.9
512.18140	2.4
513.19403	5.3
516.25562	3.9
517.22498	8.3
518.23932	1.2
527.20953	10.9
528.21619	20.9
529.22144	2.4
544.21234	4.0
545.22192	5.7
547.19861	2.5
559.23572	19.4
560.24341	42.3
561.21674	6.1
562.22168	1.5
591.26215	1.9
603.22754	15.6
604.23193	13.1
620.23138	2.1
621.15698	1.5
621.23627	59.7
635.25201	100.0
653.26373	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	653.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
60.17743	4.9
72.69871	5.3
102.27002	5.9
165.88538	6.5
174.93172	6.4
292.97867	6.9
499.21561	9.1
500.22202	30.6
501.22824	33.3
528.21777	12.0
559.23523	10.2
560.24359	46.7
603.22473	8.4
604.23291	9.4
635.25214	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	653.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
76.69368	3.8
129.37712	4.4
153.89470	3.9
185.02550	3.9
293.24680	4.0
391.41006	4.1
459.22314	6.5
473.19714	22.2
475.21860	7.5
489.19269	38.1
490.19904	34.0
501.22949	7.0
503.20926	9.2
547.20313	6.3
561.21716	7.8
576.23535	8.6
577.24622	19.5
589.45056	4.5
594.24884	71.4
621.23541	100.0
653.26263	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	653.3763
Annotation	di-trans,poly-cis-Heptaprenyl diphosphate
Peak:m/z	Relative Intensity
50.56108	0.6
59.01384	30.9
65.33807	0.6
67.89172	0.8
71.01379	21.8
71.01773	0.8
73.02949	3.6
75.00890	0.8
78.95459	1.7
78.95905	36.2
82.66476	0.7
83.01399	1.5
85.02941	4.6
87.00866	4.7
89.01942	1.5
89.02444	24.6
97.02940	4.7
97.06759	0.9
101.02435	19.9
108.62040	0.8
113.02454	8.9
113.09665	1.4
119.03497	4.1
119.95771	0.9
125.02447	8.5
133.05122	0.9
143.03535	1.5
149.00023	1.0
161.04547	4.6
165.70712	1.0
179.05624	1.8
221.06653	3.3
235.08234	7.2
255.23315	100.0
285.12527	1.8
287.07733	1.9
293.21265	22.4
302.89993	0.9
305.08942	1.8
355.16934	1.1
397.13525	89.5
415.14639	23.7
415.20151	1.2
447.13434	5.4
653.28845	23.7
653.38440	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	653.3755
Annotation	di-trans,poly-cis-Heptaprenyl diphosphate
Peak:m/z	Relative Intensity
59.01381	31.8
59.63247	0.7
63.50437	0.6
68.38623	0.7
69.03436	0.6
71.01373	20.6
73.02937	4.7
83.01376	1.7
85.02953	4.7
87.00871	4.5
89.02432	22.8
89.02957	1.2
89.62690	0.7
95.01389	1.3
97.02946	3.4
99.00861	1.0
101.02428	20.5
105.89984	0.7
113.02430	9.5
119.03494	4.5
119.95557	0.6
125.02419	6.8
131.03468	0.8
143.03502	1.6
161.04532	3.9
163.04001	1.0
179.05594	1.7
206.20958	0.8
217.07259	0.8
235.08220	6.2
253.09267	1.2
255.23308	100.0
263.07791	0.8
305.08871	3.4
323.10074	0.7
397.13522	94.0
415.14618	25.1
653.37634	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	653.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07313	1.0
57.03441	5.8
59.01390	4.5
67.11423	1.0
79.55134	1.0
81.21118	1.2
99.04517	7.2
101.02406	1.3
125.02423	5.0
197.39583	1.1
245.95554	1.3
265.84091	2.0
397.39398	1.2
653.06934	1.6
653.38354	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22325	3.2
63.76274	2.9
65.89040	2.9
70.04125	3.8
82.69611	3.0
105.71106	3.5
122.79440	3.3
131.06662	3.5
143.28033	3.4
169.26302	3.3
174.63907	3.6
176.66141	3.5
176.74544	3.8
180.00052	4.2
206.88269	3.4
269.23856	3.6
272.02426	3.5
410.85022	3.5
653.38342	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	653.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05737	1.5
59.01365	9.1
63.41173	1.8
70.07915	1.8
71.01367	5.3
81.92360	1.9
89.02456	4.7
110.02438	2.5
112.04003	3.5
114.05592	38.3
125.36675	1.8
126.05581	11.7
129.06711	11.6
129.10358	4.2
137.39497	2.0
145.64246	2.4
151.08803	21.3
160.34941	1.9
168.07669	2.5
168.11433	2.7
171.85089	2.1
186.12488	9.5
212.90239	2.2
213.12671	2.3
239.15146	17.6
246.63901	2.4
257.16208	4.7
281.16208	53.0
282.21927	3.0
299.17291	32.9
309.20834	2.7
395.30276	11.3
468.11642	2.4
609.36121	11.0
653.39386	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	653.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29794	1.2
55.65895	1.6
55.79242	1.3
57.03453	94.6
59.01381	46.5
61.30764	1.4
61.95128	1.3
63.46304	1.4
64.20544	1.4
98.91244	1.6
99.04515	100.0
99.05171	3.8
101.02416	18.6
102.88457	1.7
107.93748	1.7
116.82587	1.9
125.02431	45.5
181.88013	1.7
277.21747	54.7
279.98587	1.8
309.53772	1.7
366.92642	1.8
570.19928	1.8
653.27173	2.6
653.39087	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	653.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92804	2.2
69.99296	2.3
71.05025	2.6
83.11983	2.7
86.55287	2.9
90.73022	3.1
95.05060	3.6
109.53600	2.5
116.09741	2.6
118.97700	3.0
123.50877	2.7
133.06635	6.0
134.31963	2.8
135.08044	2.7
164.02063	3.0
169.92542	3.0
171.10278	24.6
211.13364	29.3
229.14445	28.0
243.17526	5.4
287.16449	12.1
305.17581	15.3
323.18726	26.4
329.23401	100.0
527.34216	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	654.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24409	0.5
55.27641	0.5
55.66907	0.6
58.47789	0.7
59.01386	1.0
71.01384	0.8
75.00872	4.3
85.02948	7.2
87.00865	1.0
89.02422	1.1
99.00880	1.0
115.00396	0.6
119.05016	32.1
123.09721	0.6
129.01918	6.1
135.04517	3.6
145.13760	0.6
163.04001	100.0
164.04349	0.7
177.04080	6.3
191.45045	0.7
195.05109	20.5
203.71632	0.6
207.38257	0.7
256.30927	0.8
310.39630	0.7
311.07941	0.9
341.08771	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	655.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16368	0.7
50.71496	0.6
57.88393	0.8
59.01399	0.7
71.01389	1.3
73.95962	0.7
82.71033	0.9
85.02946	1.2
93.03452	24.0
98.39594	0.7
99.35088	0.7
101.02432	1.1
109.58950	0.8
128.44281	0.8
137.02446	100.0
141.34515	0.7
172.86342	0.9
209.52589	0.8
213.18550	0.8
216.73160	0.9
267.33847	0.8
299.07739	28.9
382.65793	0.8
392.04379	1.0
514.68890	1.0
678.98541	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57875	1.3
57.11520	1.5
72.58419	1.4
86.48717	1.7
96.95986	6.8
109.02917	11.7
119.05117	1.4
121.02966	3.3
123.04512	7.0
137.02385	1.8
149.02429	3.3
149.06068	1.9
150.03189	9.2
151.03996	100.0
163.04053	3.3
165.05617	2.5
167.03497	6.7
169.81946	1.6
188.60114	1.7
216.13150	1.7
239.05397	2.8
245.02600	1.5
257.08209	14.8
295.08362	2.1
310.41232	1.6
445.13370	7.2
487.14413	3.5
507.38293	1.7
572.32495	1.8
573.73938	1.7
611.19873	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	655.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61293	0.3
59.01379	35.0
65.70567	0.5
72.99305	1.1
74.79012	0.5
86.46972	0.4
92.58113	0.5
102.77304	0.4
108.92992	0.5
119.04996	1.0
121.39571	0.6
144.45798	0.4
144.55714	0.5
147.04518	93.6
157.79805	0.5
165.05560	100.0
179.10814	0.8
207.06641	64.3
223.09706	1.0
246.96614	0.6
359.14825	1.0
403.16049	0.6
407.17160	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66142	0.6
52.67325	0.6
57.03432	0.9
59.01382	33.1
59.01682	1.1
60.04877	0.6
60.99304	0.6
64.90295	0.6
70.47659	0.7
71.95615	0.6
75.77220	0.6
82.02345	0.6
87.14046	0.7
88.98798	13.3
89.02427	1.0
93.03449	19.7
99.90798	0.7
101.02453	0.7
102.89762	0.7
113.02386	1.0
123.38485	0.6
137.02443	78.1
137.09688	5.6
153.12781	0.6
161.09688	0.8
162.41913	0.7
168.29251	0.7
179.10806	2.9
181.08704	8.1
197.11844	14.9
223.09662	0.7
238.23972	0.8
241.10806	3.0
413.10733	1.0
431.12134	1.0
655.22504	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78020	0.3
56.49451	0.3
56.70409	0.3
57.03445	1.5
59.01362	0.6
99.04490	0.9
117.03453	0.4
122.40859	0.4
125.02481	0.7
126.60909	0.4
143.90767	0.4
165.12805	0.7
183.13878	4.4
227.12869	1.4
233.11818	0.6
251.12999	0.7
268.03781	23.7
283.06134	100.0
293.14102	3.7
312.91141	0.3
371.17145	11.5
410.75302	0.4
412.27438	0.4
511.27750	0.4
546.51971	0.4
615.88904	0.4
642.25476	0.4
655.24133	10.8
655.36047	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50074	1.7
56.70575	1.6
59.01381	2.9
59.56539	1.7
73.02965	1.9
75.91260	1.8
103.04559	2.0
137.73044	1.9
164.42668	2.1
180.83572	2.1
219.57401	1.9
226.73146	2.2
255.23361	4.5
315.07376	2.6
405.21310	2.5
406.69727	2.1
407.18851	9.8
420.90326	2.2
421.20605	3.7
422.21359	9.4
449.20233	2.4
459.21808	2.5
461.19354	2.6
463.21005	2.6
477.22949	13.6
479.21024	7.6
493.22510	4.5
519.23444	2.7
521.21912	4.6
537.25415	4.2
564.24176	3.1
579.25891	3.3
581.23950	33.4
596.26245	10.8
611.29083	4.8
655.27850	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	655.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	14.0
59.01381	48.7
59.19623	1.2
71.01381	32.6
73.02927	5.6
85.02938	7.6
88.36994	1.4
89.02436	43.5
90.77983	1.3
95.01355	5.6
95.67568	1.4
95.74831	1.4
98.54938	1.5
99.00845	1.6
99.04504	10.1
101.02454	28.5
113.02438	26.4
118.05036	1.8
119.03490	18.0
125.02428	6.7
144.15779	1.6
179.05594	2.3
182.63281	1.5
207.05965	1.9
212.14066	2.7
313.18866	2.5
420.20084	1.8
493.23334	3.2
511.24066	26.8
553.25226	6.6
655.28247	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43634	1.0
55.01867	1.9
57.03450	30.8
59.01380	31.8
64.35348	1.3
71.01375	27.7
73.02933	11.9
83.01366	7.9
85.02929	14.7
87.00889	1.6
88.98824	1.3
89.02442	10.0
92.23150	1.8
95.01374	1.7
97.02928	1.5
99.00850	6.5
99.04509	13.0
101.02433	52.3
111.00850	9.3
113.02433	24.6
113.61453	1.3
115.03930	1.6
119.03487	1.5
123.09304	1.4
125.02444	10.7
125.03246	1.2
129.01898	1.9
133.01433	1.4
133.12521	1.3
143.03494	1.9
159.02948	6.0
161.04544	13.3
198.80569	1.5
331.21222	3.0
349.22476	17.9
467.17026	1.9
493.26556	12.8
511.20050	3.1
511.27618	86.1
520.60730	1.5
553.28687	15.0
593.30933	1.5
595.33240	1.7
655.31830	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	655.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.40702	1.1
66.51643	1.2
71.16023	1.1
77.16208	1.1
80.16571	1.1
116.92863	2.2
123.50610	1.1
141.01698	71.8
173.03056	1.7
257.05112	1.5
275.06290	6.2
277.21725	2.3
359.21011	6.3
391.19623	1.5
535.27667	5.4
595.29803	7.0
655.24982	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	655.332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
59.15194	1.6
73.12245	1.7
74.25436	1.4
86.68172	1.7
89.16602	1.6
114.04294	1.9
141.01700	76.7
197.56467	1.9
235.89891	1.8
275.06064	2.0
277.21811	2.4
438.42755	1.9
595.30872	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	655.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
65.52810	5.0
71.01381	24.3
73.02939	31.5
81.41483	5.6
85.02940	6.3
89.02425	8.1
101.02419	24.2
112.96965	6.3
113.02444	20.4
125.09689	8.9
134.03667	7.4
182.85898	7.1
230.47171	6.3
235.56963	6.3
259.81558	6.6
391.66565	5.8
595.36340	27.4
613.37207	14.1
652.65613	8.0
655.38916	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	655.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40653	5.8
54.18742	6.4
55.66565	6.2
76.59346	6.2
127.36642	7.1
185.66771	7.1
373.64764	7.9
648.44830	8.1
655.39801	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	0.9
59.01371	4.4
83.17502	0.9
92.23083	2.1
125.02428	0.9
132.28693	0.9
187.44873	1.0
220.66096	1.0
279.63257	1.1
413.66278	1.0
509.17279	1.1
616.72308	1.4
635.60803	1.0
655.39813	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	655.399
Annotation	Unknow
Peak:m/z	Relative Intensity
61.74569	3.5
73.92484	3.4
79.84338	3.6
84.98167	3.5
85.69315	4.0
98.08281	4.3
116.92841	7.0
157.42122	3.7
276.21902	4.8
556.53369	5.1
655.39874	100.0
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
54.05791	0.3
57.03443	1.5
59.01374	1.4
64.11941	0.3
78.89404	0.3
83.05043	0.4
85.02929	3.1
91.81371	0.3
95.05033	0.4
97.06581	3.6
99.04518	1.4
125.09730	0.6
127.11248	0.4
128.28033	0.3
132.48514	0.3
152.71754	0.4
155.10782	0.6
165.12825	0.5
167.14340	0.7
169.28958	0.3
171.10265	8.9
177.12820	1.3
183.13893	4.4
185.11838	2.5
193.12361	2.0
195.13914	0.4
197.11801	0.5
199.13351	0.3
203.10847	0.6
209.11865	1.7
211.13417	32.9
221.11850	6.6
227.12863	0.4
229.14447	26.8
239.12959	4.8
247.20500	0.4
279.68698	0.3
291.19693	5.9
309.20767	2.2
327.21799	100.0
350.41626	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.4437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37247	1.2
60.31652	1.3
66.28977	1.4
83.05009	3.4
106.22356	1.6
115.54623	1.4
127.07641	8.4
138.73831	1.6
145.34424	1.8
163.11339	1.9
165.12790	1.9
176.76299	1.8
185.11868	6.7
197.11847	7.9
202.34235	2.0
209.09865	3.4
209.11847	100.0
211.13480	2.8
227.13014	2.7
229.14394	2.8
307.19165	13.0
325.20227	72.8
329.23410	8.5
435.95792	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	655.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
81.71223	2.0
81.77184	2.1
88.86140	2.4
115.07640	12.4
115.41055	2.3
117.09386	2.3
131.33005	2.2
153.12791	8.6
165.12827	2.5
171.13963	3.0
197.11845	12.8
199.13422	46.4
209.11879	11.3
211.13321	2.6
215.12869	10.3
227.12910	100.0
229.14478	12.1
239.84225	2.9
291.19702	4.1
309.20645	16.2
327.21799	64.5
385.59973	2.3
551.47943	2.8
622.84351	2.9
662.51007	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	655.4435
Annotation	Unknow
Peak:m/z	Relative Intensity
68.71686	11.0
76.11981	11.3
99.74148	10.7
134.93629	11.8
143.24283	13.5
199.13420	59.9
227.12898	100.0
229.14453	22.0
327.21744	76.2
373.91620	12.7
462.32452	14.4
471.75089	14.1
484.28629	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	657.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02795	0.6
55.41845	0.6
59.01375	0.9
61.29631	0.5
63.42915	0.6
65.99085	0.7
67.56271	0.7
69.57352	0.7
84.36752	0.6
100.85007	0.6
112.62309	0.6
118.87798	0.6
136.79080	0.6
177.61418	0.6
236.63545	0.7
245.92703	0.7
343.65381	0.8
494.16205	1.0
507.16818	21.3
510.15155	1.5
521.14795	5.9
522.19153	0.7
534.15961	2.6
535.16492	3.1
539.15576	7.0
549.17902	13.3
551.16498	1.0
553.17334	46.8
554.18060	1.7
566.18463	6.2
567.18713	1.1
581.20319	3.6
598.17444	0.9
657.22131	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	657.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62224	2.0
59.01373	4.5
59.30468	2.3
61.55061	2.0
66.11104	2.1
101.03165	2.2
164.93289	2.7
169.36578	2.1
219.91397	2.1
476.18179	2.3
495.16922	2.5
507.16968	16.2
521.15430	5.0
539.15851	13.0
549.18378	5.1
553.17462	64.1
598.17303	2.6
657.22107	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	657.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
72.61295	5.9
92.23055	7.1
93.29291	6.5
112.83125	7.2
189.81841	7.2
200.29333	7.9
303.65784	7.9
563.63464	7.9
583.96014	9.6
657.37775	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05814	0.4
55.01873	1.1
57.03460	0.6
59.01382	100.0
71.01382	10.2
73.02933	4.2
83.01391	2.3
85.02949	5.5
87.00856	0.5
89.02441	2.2
95.01404	0.9
97.06579	1.5
97.21622	0.4
99.00919	0.8
101.02433	8.9
113.02448	5.5
116.92875	0.6
124.01749	0.4
133.82472	0.5
260.85132	0.4
267.03430	0.5
334.81717	0.5
360.88885	0.4
435.32852	1.5
453.33698	6.1
501.12534	0.4
510.87100	0.4
512.91028	0.4
597.38031	35.8
615.39087	14.3
657.40186	17.0
657.50507	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09988	0.7
55.10070	0.6
55.53329	0.6
59.01372	3.5
60.73571	0.8
71.01345	1.0
75.96349	0.8
78.39944	0.8
96.89109	0.7
101.02406	1.3
127.07687	1.3
134.89323	1.0
145.08676	4.0
155.52068	0.8
159.23526	0.9
165.01881	10.1
186.07236	0.8
187.09807	0.9
215.65674	0.9
240.04352	1.3
244.30388	0.9
271.06128	12.6
283.02454	8.3
284.03268	7.7
298.04865	33.1
299.05634	100.0
404.05792	0.8
412.69577	0.8
461.10968	56.5
469.46768	1.1
659.13977	46.5
659.24915	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	659.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74973	0.6
71.45982	0.6
75.00886	4.8
75.01226	0.7
81.70790	0.7
103.00364	1.7
173.84248	0.8
218.64740	0.8
239.77443	0.9
455.17294	1.7
456.18201	4.6
468.18185	22.0
469.19107	1.4
473.18250	3.6
479.17447	1.0
481.14951	1.0
483.20535	15.5
488.16763	1.3
493.18561	0.9
495.17773	2.8
496.17651	21.4
500.17279	6.6
510.14911	7.9
511.20099	14.0
512.13708	5.7
512.20740	2.7
524.17120	3.5
526.15070	11.6
527.15491	6.9
528.16602	3.5
544.19983	1.3
555.18964	4.4
583.18591	0.9
587.21509	6.9
599.17853	4.3
600.18567	3.2
615.20959	11.0
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	659.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
60.82408	4.3
62.04175	3.8
73.03624	4.5
76.42588	4.1
77.35473	4.3
130.07544	4.8
139.11099	5.1
143.91855	4.4
149.79276	4.3
195.56108	5.0
280.58484	5.5
315.89841	4.9
423.97556	5.2
431.81924	5.6
496.18207	5.0
498.14899	5.5
512.17322	41.0
555.18799	10.3
585.20227	8.0
659.23694	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.237
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32937	0.6
57.91616	0.7
70.22748	0.7
75.00844	0.9
76.13314	0.7
80.11519	0.7
82.16286	0.8
116.51342	0.7
291.04471	0.8
386.19693	0.8
441.19357	2.8
453.19308	1.1
465.19385	3.2
467.20685	0.9
469.22372	3.6
479.20798	3.5
482.19672	1.8
486.19492	1.4
493.19073	1.2
496.17593	10.8
507.20239	2.9
509.18335	4.2
512.16943	22.0
523.20020	1.6
524.20874	6.0
528.16571	1.3
536.17096	5.8
551.19574	1.5
555.18909	13.2
585.20050	3.3
659.23706	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13872	0.8
55.83911	0.8
57.67669	1.1
59.01385	20.5
62.48592	0.8
67.52625	1.0
71.01382	4.2
72.34054	0.9
73.02934	1.3
78.98588	2.0
80.96513	28.8
85.02984	0.8
87.00852	1.2
94.98065	9.1
99.04464	1.1
101.02447	3.8
106.02957	1.0
106.98074	1.3
113.02412	1.7
122.97586	2.2
125.02426	5.0
134.97540	1.6
139.79915	0.9
148.99117	2.3
152.98595	7.5
164.98631	14.0
182.99612	2.2
189.14586	0.9
206.99663	5.1
212.63429	0.9
224.98593	1.5
225.00754	33.2
243.01794	4.1
257.17419	1.0
262.32376	0.9
277.21735	2.3
299.04330	7.9
551.87842	1.1
577.26978	100.0
599.39355	1.5
617.40076	2.7
659.26093	6.0
659.41998	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	659.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40433	1.1
57.03456	47.2
59.01104	2.6
59.01384	67.5
64.68403	1.6
67.30014	1.2
71.01387	6.1
73.02926	2.1
83.01383	1.9
85.87625	1.4
89.02441	1.9
92.22462	2.6
96.95989	3.3
99.00900	1.4
99.04508	53.1
99.05156	1.9
101.02445	21.6
110.59256	1.6
113.02422	7.8
125.02434	26.8
141.95743	1.3
159.39786	1.6
161.04602	10.0
190.57207	1.3
194.56261	1.5
311.36868	1.5
353.19693	1.8
371.20914	6.0
413.21930	6.9
471.26071	2.0
515.25006	65.3
528.37408	1.7
557.25836	8.9
646.07617	1.9
659.17993	3.2
659.29364	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	659.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41109	0.1
52.79041	0.2
57.03446	1.5
59.01380	2.9
67.13368	0.2
68.62405	0.2
76.99841	0.2
80.96503	0.2
94.98099	0.3
99.04501	1.9
101.02428	0.2
110.35797	0.2
113.02408	0.2
114.78201	0.2
116.92837	0.3
124.56426	0.2
125.02428	0.4
141.35497	0.2
169.58533	0.2
185.48033	0.2
211.07642	3.5
225.00719	0.4
226.09978	0.4
227.10788	100.0
270.27475	0.2
283.13406	13.5
301.14453	3.9
511.24905	7.9
577.26764	1.5
585.28650	42.0
617.40857	0.2
634.86096	0.2
659.22864	0.2
659.32709	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	659.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.5
59.01382	100.0
63.70655	0.5
68.52642	0.6
71.01371	8.2
73.02937	3.0
80.15424	0.6
83.01386	1.1
85.02945	5.2
85.35020	0.6
89.02442	3.1
89.77409	0.6
99.00890	0.8
99.04496	1.4
99.48528	0.6
101.02434	9.8
109.89774	0.5
113.02417	6.6
118.01064	0.6
135.41472	0.6
148.99194	0.6
167.02161	0.7
172.29552	0.6
251.52489	0.6
315.03885	0.7
455.35449	4.2
599.39514	16.4
617.40631	12.3
659.41882	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	659.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97742	0.7
57.03454	0.9
59.01382	100.0
71.01379	4.5
72.09596	0.7
73.02917	1.0
82.39673	0.7
100.61653	1.0
101.02422	1.6
113.02440	1.8
144.68109	0.8
200.49666	0.9
238.58997	0.9
483.20917	1.0
599.40033	1.3
659.20215	1.1
659.41986	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	659.4748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16067	1.2
77.22135	1.0
99.08139	2.1
113.68927	1.2
115.04507	1.3
117.58654	1.3
171.10229	5.3
211.13406	29.8
213.54131	1.5
229.14449	20.0
229.98567	1.3
253.69748	1.5
305.87286	1.2
329.23392	100.0
486.38153	1.5
504.38846	1.7
556.88300	1.6
628.72571	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	661.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30547	0.6
59.01372	1.5
71.01411	1.0
71.21420	0.7
73.02946	1.1
74.97594	0.8
75.00873	0.9
78.95914	1.0
99.34336	0.7
105.71186	0.7
129.01947	3.4
147.02971	1.3
155.14754	0.8
227.86124	0.8
235.28403	0.8
255.62126	0.9
350.84793	0.9
443.17432	1.3
456.18326	1.2
467.17377	1.0
469.18793	1.0
471.20593	5.5
481.18735	1.8
484.17545	4.2
498.15240	13.7
499.16205	1.2
509.18240	1.1
511.15994	1.6
514.15009	34.5
515.15741	1.7
525.17322	1.1
526.18610	4.4
527.19666	0.9
538.14612	3.6
553.17090	1.3
557.16937	18.3
587.17938	5.1
629.18738	1.4
655.20465	1.2
661.21594	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64550	1.8
57.03443	11.8
59.01381	31.7
64.28987	2.1
64.47031	1.8
67.80975	1.8
71.01378	3.0
75.00866	16.1
79.08308	2.1
79.99975	2.2
99.04515	10.5
103.00352	11.3
112.64568	2.2
125.02390	3.0
176.82439	2.1
184.83076	2.7
206.42291	2.3
268.45718	2.4
440.44916	2.4
452.18533	3.9
453.19373	5.0
465.05832	2.4
467.21030	26.5
480.18069	9.2
495.20374	25.3
508.17300	9.0
512.16595	23.4
527.22858	18.4
601.19409	3.5
619.42017	3.3
661.21582	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91963	0.5
58.32613	0.5
59.01379	26.2
61.19457	0.5
63.00749	0.5
71.01375	15.5
72.99314	0.8
76.40906	0.6
78.09428	0.5
85.02945	2.2
87.00858	1.0
89.02435	30.6
93.57748	0.6
95.01364	0.8
95.12128	0.5
100.52572	0.6
101.02432	12.2
113.02424	8.7
113.06075	14.2
119.03500	11.9
131.03494	0.9
131.07135	17.9
143.03494	1.3
149.04572	1.0
149.06070	3.1
161.04532	1.1
163.03986	0.7
177.05505	0.9
179.05606	5.9
239.05583	4.8
293.12454	100.0
444.43115	0.7
503.46820	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91963	0.5
58.32613	0.5
59.01379	26.2
61.19457	0.5
63.00749	0.5
71.01375	15.5
72.99314	0.8
76.40906	0.6
78.09428	0.5
85.02945	2.2
87.00858	1.0
89.02435	30.6
93.57748	0.6
95.01364	0.8
95.12128	0.5
100.52572	0.6
101.02432	12.2
113.02424	8.7
113.06075	14.2
119.03500	11.9
131.03494	0.9
131.07135	17.9
143.03494	1.3
149.04572	1.0
149.06070	3.1
161.04532	1.1
163.03986	0.7
177.05505	0.9
179.05606	5.9
239.05583	4.8
293.12454	100.0
444.43115	0.7
503.46820	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	0.7
60.36600	0.6
61.98812	0.8
70.08842	0.7
71.01368	1.4
96.42707	0.9
99.91948	1.6
99.92576	26.0
100.93350	7.0
103.51302	0.9
115.92063	20.4
116.92847	100.0
127.78548	0.9
127.96373	0.8
169.12343	1.0
183.13861	1.0
197.11856	12.6
220.17790	1.1
251.03726	0.9
265.05432	1.4
277.21732	21.6
279.03235	4.0
280.04102	1.8
281.04895	5.5
287.87213	0.9
297.04187	1.6
309.04431	1.5
311.05930	1.4
313.03796	1.3
325.03882	1.0
335.06052	1.0
367.08716	1.2
377.14017	1.2
383.08188	1.1
525.26831	1.0
557.25970	8.3
557.34082	0.8
599.30481	1.1
601.28448	1.0
643.29401	4.4
661.30579	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	661.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98654	5.0
57.38809	5.7
59.01376	85.0
70.24104	6.6
70.27812	6.0
71.01374	52.5
87.00860	8.0
89.02422	50.8
95.91209	5.6
101.02412	14.4
113.02433	22.8
119.03534	11.5
141.15323	6.4
141.70612	5.9
178.74773	8.6
179.05713	6.6
218.22905	6.2
244.11198	6.6
277.21747	100.0
306.77100	8.6
323.09741	9.7
341.10864	37.0
406.11472	7.0
418.03598	7.1
482.68170	6.8
493.98907	6.6
601.32312	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	661.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.2
59.01107	1.6
59.01384	46.9
65.87555	0.9
69.70569	1.0
71.01353	5.3
73.02950	1.1
75.00851	6.5
80.96502	1.8
82.26315	1.0
85.02888	2.2
85.53925	1.0
87.38364	1.0
89.02438	2.1
99.04501	2.3
101.02442	4.1
103.00382	4.4
106.33890	1.0
113.02406	3.9
116.92777	1.2
125.02409	1.7
129.81506	1.0
164.98535	1.2
178.51704	1.2
198.88536	1.0
328.79181	1.1
347.94107	1.0
451.18546	1.2
455.16040	1.4
457.17657	2.6
458.18222	1.7
468.18243	1.2
469.18054	4.1
470.18140	25.0
471.18802	2.0
475.18222	2.5
483.15070	1.8
484.20596	4.4
485.20642	19.3
490.17355	2.3
497.16824	5.1
498.17645	22.2
502.17114	6.6
511.15738	1.5
512.14960	7.2
513.13678	1.2
513.20270	14.8
514.13690	5.7
525.15991	2.0
526.16968	2.5
528.15173	17.1
529.15778	10.6
530.16296	4.6
546.19958	1.7
557.19061	1.8
579.28290	9.6
585.18683	2.0
589.21381	4.1
601.18121	5.6
601.41229	11.0
617.21454	13.3
619.42285	8.2
629.17456	6.1
661.20038	100.0
661.43414	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	661.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67785	0.3
54.46504	0.3
55.59382	0.3
55.66850	0.3
56.29659	0.2
57.60939	0.3
59.01381	100.0
59.35415	0.3
66.25379	0.3
67.45969	0.3
70.64436	0.3
71.01376	6.8
73.02946	3.0
74.21685	0.3
78.80022	0.3
83.01348	0.6
85.02933	4.3
99.00900	0.6
101.02425	5.8
113.02437	4.0
119.06448	0.3
159.03003	0.6
161.04584	0.7
330.56866	0.3
367.13480	0.4
512.80524	0.4
518.45398	0.3
601.41235	1.6
619.42023	6.2
628.83258	0.4
661.43292	13.8
661.53711	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
64.49327	1.8
71.01366	3.5
83.35819	2.3
85.02956	4.7
99.25614	2.1
101.02446	3.6
110.30242	2.0
113.02433	2.3
154.32098	2.1
198.72083	2.4
225.72212	2.2
240.92140	2.2
274.12561	2.4
321.63562	2.4
367.62833	2.4
428.37061	2.5
579.28607	3.2
661.43231	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	661.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12853	0.5
53.93499	0.6
55.80498	0.7
57.03439	1.2
59.01381	100.0
71.01377	9.0
72.62421	0.6
73.02938	3.2
74.65161	0.7
75.53439	0.7
82.42441	0.6
83.01366	0.8
85.02961	5.9
85.80869	0.6
89.81233	0.6
99.04510	0.9
101.02435	7.1
102.55981	0.7
113.02435	4.0
114.00151	0.7
120.32659	0.6
161.04558	3.6
189.05655	0.8
217.29672	0.7
362.89441	0.9
363.34079	0.7
385.49344	0.8
393.15503	0.7
410.97101	0.8
464.17361	0.8
554.77026	0.7
601.40601	0.8
601.50421	0.9
619.41534	3.3
661.42249	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	661.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01004	0.7
53.96989	0.7
59.01382	100.0
70.43639	0.9
71.01373	13.9
73.02940	11.5
76.86485	0.8
77.83394	1.0
83.01364	1.2
85.02937	4.1
89.02443	9.9
93.86022	0.9
95.01376	1.3
95.32375	0.9
100.27086	0.9
101.02424	15.9
107.92449	1.0
113.02441	12.0
119.03508	4.4
133.42871	1.0
149.04520	2.0
161.04585	4.5
175.32011	0.9
179.05644	1.1
192.89783	0.9
221.06604	1.7
601.41229	13.4
619.42181	12.3
661.43262	21.4
685.27905	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.434
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	5.3
59.01384	100.0
71.01379	5.7
73.02953	2.2
78.95937	0.6
83.01400	1.0
85.02949	3.5
89.02415	0.5
95.01370	0.5
96.96018	1.8
99.00877	0.6
99.04518	7.3
101.02439	6.4
111.03310	0.4
113.02448	3.0
116.59183	0.4
116.92881	0.9
125.02460	2.7
137.15062	0.4
137.35959	0.4
152.99530	0.8
161.04579	2.1
161.65041	0.4
322.02423	0.4
483.95807	0.4
617.35785	1.8
619.42273	8.8
661.26013	1.9
661.43591	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	662.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06306	1.3
59.01387	1.9
59.97945	1.4
60.60297	1.5
61.98831	100.0
63.95583	1.6
83.15289	1.6
93.25001	1.6
150.02071	1.6
154.36086	1.8
179.86774	2.0
193.05009	2.7
309.78992	1.9
436.53964	1.6
511.95618	1.6
527.54633	1.8
662.36584	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	662.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.8
59.01388	2.0
61.98833	100.0
71.09525	0.4
71.25452	0.4
81.36744	0.5
87.13750	0.5
99.04537	1.8
120.59816	0.5
125.02470	0.8
134.03758	7.9
149.06033	1.8
160.01637	0.7
175.04045	2.1
193.05072	14.6
199.61374	0.6
218.60452	0.6
337.56171	0.5
461.73703	0.5
599.27130	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	663.194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.6
59.01384	18.5
67.12978	1.0
71.01379	11.4
72.99308	8.8
73.02934	10.1
75.00877	12.7
81.03437	4.0
85.02894	4.9
87.00867	1.1
87.04479	1.7
89.02402	2.6
96.95930	1.4
99.00813	7.0
99.04517	13.8
99.11992	1.3
101.02377	5.7
113.02424	8.9
117.14806	1.0
119.05013	48.3
134.03639	6.3
135.04437	4.8
136.07619	2.3
143.03391	5.1
145.02835	6.5
150.05594	1.1
160.01538	7.1
161.02441	25.2
161.04488	13.7
161.31810	1.3
163.04012	63.9
175.03995	43.7
177.05522	9.5
179.03490	7.7
179.05624	10.3
179.10695	1.0
193.05051	11.9
207.08627	1.4
228.10129	1.2
229.09624	2.2
230.11809	2.3
267.07098	1.8
273.12332	4.4
294.62268	1.2
317.11139	1.4
321.54617	1.3
323.07507	5.0
335.12503	18.2
337.09415	7.7
469.12558	1.3
487.13885	2.0
501.13977	10.0
572.45752	1.3
631.23285	2.1
663.18591	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.6
59.01377	3.0
60.17256	0.4
65.45226	0.4
66.53750	0.4
71.01368	2.1
73.02937	2.4
75.00859	1.1
76.61688	0.4
81.03465	0.9
98.29829	0.5
99.00868	0.8
99.04514	2.2
99.74923	0.4
101.02441	1.0
113.02438	0.8
119.05017	53.2
134.03770	3.3
135.04520	0.6
143.03502	0.8
145.02956	2.6
149.06076	2.8
160.01669	10.6
161.02457	4.7
161.04556	2.6
163.04005	100.0
175.03996	53.9
177.05576	2.1
178.02750	0.6
179.03432	1.0
193.05063	11.0
214.17210	0.5
221.04593	0.8
258.17096	0.5
323.07779	1.0
335.10580	0.5
337.09277	9.3
339.06686	0.5
355.94363	0.5
501.14075	38.9
663.19305	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	663.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.1
59.01368	2.8
70.59248	0.5
71.01380	1.3
73.02930	1.1
75.00895	0.6
75.07978	0.5
75.14445	0.5
77.27985	0.5
81.03449	1.3
81.44405	0.5
85.91837	0.5
87.00880	0.8
89.02406	0.6
99.00858	1.3
99.04509	2.2
109.68414	0.5
112.94791	0.5
112.97211	0.5
113.02418	0.8
119.05016	55.4
120.78458	0.5
134.03719	3.3
143.03470	0.8
145.02928	2.5
149.06030	2.8
160.01651	10.6
161.02448	4.8
161.04567	3.1
163.04008	100.0
167.80269	0.5
175.04002	52.5
177.05577	3.0
179.03441	1.3
193.05089	10.6
318.80228	0.6
323.07907	0.7
337.09357	9.4
343.08307	0.7
501.14108	41.8
663.19324	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	663.194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49520	0.4
59.01382	4.9
59.83346	0.4
71.01377	4.5
71.05017	2.1
72.99306	5.5
73.02944	6.3
75.00873	8.1
81.03454	3.5
82.14349	0.5
82.96137	0.4
85.02940	1.2
87.00848	0.5
87.04514	0.6
88.09850	0.5
89.02439	0.7
99.00886	7.3
99.04498	7.9
99.17158	0.4
101.02440	0.7
113.02415	2.0
119.05014	51.6
131.33752	0.5
132.02150	0.6
134.03755	7.3
135.04530	0.9
143.03461	3.0
145.02910	3.2
149.06078	5.4
156.80263	0.5
160.01659	10.6
161.02452	6.6
161.04543	8.6
163.04012	81.4
175.04004	45.8
175.05573	1.0
177.05565	2.9
178.02733	2.4
179.03441	2.6
179.05589	1.9
193.05080	19.6
217.05054	0.8
323.07690	0.9
337.09421	6.8
356.73999	0.5
358.41867	0.5
420.49969	0.5
487.14508	4.8
501.14096	18.0
645.18433	0.9
663.19366	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.2
69.61609	1.0
71.01384	9.2
73.01612	1.2
75.00866	9.2
85.02963	2.3
87.00893	1.8
99.00880	12.6
109.48790	1.1
113.02416	1.0
119.05032	8.3
129.01936	20.0
135.04533	3.9
145.03014	1.4
158.68727	1.0
159.02968	4.2
161.06119	2.1
163.04007	32.0
172.72333	1.0
177.04054	11.3
179.03485	10.0
195.05106	45.3
205.05083	1.4
260.69397	1.0
323.86182	1.0
341.08807	100.0
663.20447	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	663.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08159	0.5
57.03445	0.6
58.97253	0.5
59.01368	2.1
59.45847	0.4
62.20098	0.6
71.01372	0.9
83.01365	0.6
85.02911	0.9
89.02457	1.0
101.02430	0.7
108.02170	13.6
109.02950	11.0
113.02422	0.6
121.02920	0.6
124.40546	0.6
151.03984	2.3
152.01147	97.9
152.08391	0.6
153.01967	4.9
163.04004	5.3
173.64566	0.5
179.03551	0.6
188.05051	0.5
201.12918	4.1
204.11563	5.4
219.13919	10.0
241.07179	2.8
263.12885	6.7
285.06091	1.3
399.09381	20.7
399.14749	0.7
417.10379	19.5
429.11035	0.6
552.38214	0.6
575.48199	0.7
626.76904	0.6
663.23059	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	663.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57591	0.2
56.38722	0.2
57.38013	0.2
59.01379	2.5
69.03448	5.9
71.01390	0.5
72.99308	0.9
79.23993	0.2
82.56644	0.2
87.00867	4.6
87.04504	2.6
89.02451	1.2
93.03474	0.4
101.02405	0.5
113.02401	0.4
119.03603	0.8
119.05016	24.4
129.01880	0.2
131.03493	16.4
145.03011	0.4
149.04555	1.1
163.04008	100.0
165.04007	0.4
173.04597	0.3
177.05585	0.3
179.05759	0.3
195.05052	0.3
260.80164	0.3
293.12482	1.2
295.08243	38.7
295.13422	1.0
311.07681	0.3
337.15112	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53775	3.3
54.94522	3.1
54.99152	2.8
57.03451	70.8
58.40367	3.3
59.01382	81.0
67.86825	3.4
71.01374	5.6
82.10656	3.6
83.01414	3.8
84.64526	3.5
85.02938	6.3
85.73354	3.7
87.35391	3.1
92.23093	4.3
99.04510	100.0
101.02443	19.4
103.08195	3.3
105.14687	3.6
116.59085	3.5
125.02429	37.1
183.13948	15.3
227.12895	7.9
248.34737	3.3
291.18155	4.7
311.08856	4.2
319.79715	5.1
333.19177	7.8
357.26044	4.9
435.22375	67.5
619.34161	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	663.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.4
57.03455	31.2
59.01104	2.4
59.01382	56.4
71.01372	25.6
73.02940	18.1
75.00856	1.5
83.01374	9.0
85.00912	1.4
85.02953	19.0
95.01374	2.2
99.00863	6.4
99.04507	19.1
101.02444	39.6
107.04725	1.5
111.00861	2.5
111.08085	2.0
112.01670	2.1
113.02427	17.9
125.02401	11.2
129.01915	1.6
143.19583	1.5
159.02997	2.1
161.04567	2.8
172.40967	1.6
216.45479	1.4
229.18036	8.3
258.93555	1.4
291.59763	2.0
297.24432	2.9
311.25974	3.4
313.27505	7.7
403.72116	1.7
501.30914	3.4
519.31805	100.0
561.32819	34.9
601.36316	5.6
603.33026	1.8
619.33368	2.5
663.36169	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	663.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77937	0.5
55.13793	0.4
57.03438	2.7
59.01380	11.4
71.01373	9.7
71.05006	0.9
73.02936	3.5
74.49228	0.6
76.63890	0.5
77.26803	0.5
83.01420	0.6
83.05017	2.3
85.02948	4.8
89.02452	4.7
92.23186	0.9
98.44707	0.5
99.00885	0.6
99.04509	2.1
100.03979	0.5
101.02437	11.3
113.02432	5.2
119.03476	1.2
122.49840	0.5
125.02402	1.2
125.16902	0.5
159.97458	0.6
161.04582	1.3
185.13461	1.2
211.14948	1.0
221.13313	3.7
237.16508	17.9
239.14346	2.9
253.15958	1.2
255.17549	46.5
273.18591	4.4
281.15607	0.6
317.17456	4.8
325.45798	0.6
345.18860	0.7
619.33990	1.0
663.37610	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	663.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08932	0.6
57.03440	3.1
59.01389	5.1
59.01632	0.7
59.33150	0.6
71.01376	3.1
73.02933	0.7
73.67857	0.6
75.00867	17.7
82.53973	0.6
85.02940	19.4
85.03425	1.0
87.00852	2.3
89.97595	0.6
95.01366	1.3
99.00851	1.4
101.02433	0.9
112.01724	0.7
113.02438	23.2
115.00361	0.7
116.01141	4.9
117.01920	0.7
157.01414	2.5
195.40489	0.6
439.32135	4.8
485.32678	2.3
487.34372	17.2
601.37305	1.0
663.37592	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66405	0.4
54.04063	0.5
57.03452	7.7
59.01382	100.0
71.01379	1.1
71.57581	0.5
74.75576	0.5
80.05225	0.5
87.61290	0.5
89.02404	0.6
92.23160	1.1
99.04517	8.1
101.02439	1.4
113.02488	0.7
125.02425	4.8
154.19356	0.6
171.92058	0.6
180.90706	0.6
191.70802	0.6
311.29056	0.6
475.29129	2.7
517.30353	0.8
543.90259	0.6
603.61035	0.6
615.75421	0.6
619.33124	1.1
663.41980	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	663.4847
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04419	1.7
54.48257	1.8
78.95887	3.7
96.95989	1.9
106.91248	2.3
134.12962	2.2
152.23184	2.2
152.99565	3.7
195.13957	16.1
203.41347	2.5
277.21808	16.3
295.22784	100.0
307.68643	2.1
556.47144	2.4
568.65076	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	663.485
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90570	1.7
53.73045	2.0
59.01374	3.7
61.98804	2.2
74.51729	2.0
78.95912	2.8
121.10217	10.6
124.83475	2.4
127.09476	2.4
171.10263	19.8
183.10336	2.8
183.13911	11.8
211.13544	2.8
235.17061	3.6
275.20187	48.1
293.21274	100.0
294.89047	2.4
558.17218	3.0
642.08557	2.4
663.28467	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	665.137
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61307	0.3
93.93777	0.4
98.95564	0.9
99.13304	0.4
101.57937	0.4
120.02829	0.4
151.00359	2.2
178.99850	0.5
193.05074	0.5
227.03517	8.5
229.05092	0.6
255.03011	24.7
256.03769	5.7
257.04636	1.5
271.02402	0.7
283.02396	0.4
284.03287	100.0
285.04074	10.9
299.01923	3.3
314.04376	2.5
481.09506	0.4
621.14691	64.5
665.17249	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	665.1732
Annotation	Isorhamnetin 3-rhamnosyl-(1->6)-(2''-acetylglucoside)
Peak:m/z	Relative Intensity
55.05217	0.2
57.03444	0.9
59.01380	1.2
81.34305	0.2
93.03448	0.9
99.04540	0.5
101.02439	0.4
113.02445	0.5
117.36951	0.2
125.02436	0.3
132.52716	0.2
135.79343	0.2
163.00441	0.2
165.01923	18.6
178.02710	1.0
240.04356	3.3
243.06648	1.1
245.13963	1.1
255.02933	1.9
255.06685	1.3
256.03772	0.9
269.04688	0.3
271.06143	20.6
283.02509	15.3
284.03299	8.9
284.05884	0.2
297.03979	1.7
298.04843	28.6
299.05630	100.0
316.48416	0.3
341.06656	1.3
461.10965	18.9
478.32492	0.3
503.12027	28.7
503.32413	0.4
521.33240	2.3
588.23828	0.3
665.37720	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	665.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21918	0.5
59.01389	2.2
83.08111	0.5
91.56408	0.7
92.22527	0.8
92.72904	0.6
94.28698	0.6
119.05000	1.4
134.03714	2.2
145.02925	0.8
148.38199	0.6
151.00362	2.5
153.05534	0.8
163.04001	3.7
165.04105	1.1
172.77527	0.8
175.03955	1.0
178.99832	0.6
179.03568	2.5
193.05087	3.2
206.75693	0.7
227.03447	2.1
243.02989	17.6
255.03008	5.2
257.04578	5.1
262.23935	0.7
269.04562	3.1
271.02502	21.6
284.03314	8.0
285.04022	18.1
286.04916	5.7
297.04166	2.5
298.04938	1.3
299.01999	100.0
299.05240	4.1
300.02777	5.6
313.03506	1.0
314.04367	73.8
315.05103	6.1
329.74564	0.8
503.12155	1.1
621.14838	2.8
665.17358	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	665.2098
Annotation	Quercetin 5,7,3',4'-tetramethyl ether 3-rutinoside
Peak:m/z	Relative Intensity
57.03453	12.2
58.69125	1.1
59.01381	39.7
66.95822	1.1
67.31198	1.3
68.29317	1.0
69.03510	1.0
69.05523	0.9
69.48376	0.9
71.01369	1.3
72.99314	1.7
74.87040	1.0
84.14827	1.1
99.04533	13.1
101.02435	2.3
101.57779	1.3
110.38257	1.1
116.40743	1.2
120.72810	1.2
125.02402	8.6
146.99002	1.1
147.04523	93.2
147.08568	1.0
161.04651	1.4
165.05562	100.0
207.06631	59.8
227.39168	1.2
267.07211	1.5
311.11310	2.7
347.34641	1.3
413.14594	17.1
665.23566	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	665.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35316	0.8
56.95024	0.8
59.01384	4.3
79.48285	0.9
80.03514	0.9
88.98789	5.0
92.22350	1.0
98.18942	1.0
104.04039	0.9
137.02454	3.8
150.63062	0.9
151.00293	1.8
151.03969	1.1
152.04767	3.7
161.02330	1.0
161.84549	1.0
166.02727	42.5
167.03537	1.1
179.03551	1.9
181.05078	97.4
190.11913	1.1
193.05109	1.0
197.63821	1.0
207.06718	1.2
291.45413	0.9
338.08771	1.0
387.10934	28.5
402.13358	11.5
417.15613	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52694	1.0
59.01382	19.2
61.49335	1.0
71.01383	12.5
75.00882	4.4
75.62726	1.0
76.73656	1.0
84.82008	1.0
85.02940	7.1
87.00892	1.9
89.02442	22.3
96.95975	1.5
99.00882	1.4
101.02426	12.4
102.12817	1.0
113.02453	8.4
119.03522	9.0
119.05014	25.8
129.01917	1.3
138.05646	1.4
163.04013	100.0
177.04050	8.7
195.05147	5.5
247.04637	1.2
267.07300	1.6
313.97043	1.2
323.13519	78.8
341.08798	39.4
390.00015	1.2
393.04282	1.1
665.19061	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	665.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50335	0.5
52.78388	0.6
58.61713	0.7
59.01383	100.0
69.55482	0.7
70.36425	0.6
71.01380	3.9
79.99249	0.6
85.02954	1.3
85.11066	0.8
89.93264	0.6
101.02412	0.8
113.02467	1.5
145.56802	1.0
161.04578	3.7
306.43732	0.8
665.38940	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48291	1.0
57.03445	1.4
57.79016	1.0
59.01383	1.5
63.52368	1.1
80.05835	1.1
81.54315	1.2
92.84159	1.3
119.00064	1.2
120.63493	1.2
135.42705	1.4
167.44095	1.2
172.28242	1.3
269.72855	1.3
390.41339	1.3
405.76834	1.7
432.19345	1.4
476.14792	7.7
477.19415	6.6
489.15656	7.9
490.16513	24.3
503.17325	1.4
504.17984	7.0
505.18820	35.6
520.21051	2.7
531.20135	1.6
534.15515	1.6
535.19849	5.1
549.17871	7.9
561.21283	1.9
563.18939	14.4
591.22528	51.7
591.31897	1.6
607.22455	2.3
621.23370	1.9
633.24164	1.8
650.23840	48.4
665.26257	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08462	1.1
59.01390	2.7
60.31476	1.1
76.44347	1.0
80.69105	1.4
92.64545	1.2
116.92812	1.3
294.88022	1.3
348.97717	1.2
369.10730	1.3
665.34589	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33873	0.2
59.01366	1.1
78.88611	0.2
99.04517	0.4
101.02402	0.3
134.03702	0.4
145.88628	0.3
150.75011	0.2
158.50690	0.2
193.05063	0.3
224.97572	0.2
524.30139	0.2
629.37280	1.0
665.34692	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.7
57.03236	0.8
57.03456	13.2
59.01382	18.4
63.70454	0.7
69.03483	0.9
71.01385	17.0
72.99306	1.1
73.02940	5.3
75.00870	20.5
83.01381	1.9
85.02940	23.5
87.00871	4.9
89.02435	1.8
90.16983	0.8
96.96021	1.3
99.00888	7.5
99.04513	12.7
101.02443	13.4
108.36740	0.8
111.00874	1.5
113.02449	30.3
114.61660	0.8
119.44533	1.0
125.02431	5.3
129.01921	1.0
143.03467	0.8
145.97076	1.0
160.10651	0.9
161.04533	1.1
175.02477	1.1
187.75070	0.8
285.39282	0.9
359.28210	3.5
477.30969	1.2
519.31567	1.2
561.32996	5.9
579.33783	1.8
621.34790	7.4
665.37646	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	665.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25474	1.9
52.01046	1.9
52.13736	1.9
57.03453	38.9
59.01379	36.9
63.58035	1.8
64.49283	2.0
71.01377	22.2
73.02929	12.2
80.90388	1.9
83.01382	8.9
85.02934	12.9
89.02454	4.9
95.01405	1.8
99.00887	2.8
99.04514	22.0
101.02443	40.7
111.00888	3.2
113.02417	21.8
125.02461	15.9
159.02963	3.0
229.18201	4.5
247.72858	2.3
359.28186	13.6
383.11157	2.4
420.25851	2.2
503.32538	15.1
521.33350	77.1
521.40784	3.8
561.33020	4.8
563.34216	15.6
621.34821	4.5
665.37830	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65359	1.3
55.40448	1.2
56.97840	1.2
57.03453	95.5
59.01105	2.5
59.01383	56.0
64.55338	1.4
67.99240	1.5
73.02972	1.9
89.02476	2.0
92.23061	2.3
99.04511	100.0
99.87887	1.6
99.91319	2.2
101.02432	14.8
101.37259	1.6
125.02432	48.2
143.03506	3.3
193.84431	1.5
277.21771	42.9
291.23340	2.3
410.78738	1.7
475.24933	6.3
501.19202	2.5
505.22711	6.8
578.25482	3.3
633.24066	13.0
650.23425	5.7
665.26306	12.8
665.39032	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	665.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20849	0.9
57.03446	6.4
59.01385	19.6
61.49693	0.9
68.50227	1.0
70.29427	0.9
70.65779	1.0
71.01390	13.3
73.02956	2.1
77.05811	1.0
83.01362	1.7
85.02940	5.1
87.56738	1.1
89.02445	6.6
96.95995	2.4
97.06561	2.0
99.00908	1.2
99.04516	5.8
101.02441	14.3
113.02429	6.2
119.03494	1.2
125.02416	4.2
136.84856	1.1
175.93578	1.4
178.38676	1.0
183.14035	1.0
227.14398	1.2
244.37610	1.1
255.17522	10.1
272.66431	1.2
273.18625	5.7
275.20187	2.7
301.18256	2.2
319.19156	32.1
345.60162	1.1
561.32733	1.6
621.35089	4.6
665.39130	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	665.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64262	0.5
54.82953	0.5
55.80869	0.4
55.87958	0.6
59.01382	100.0
69.03182	0.5
70.75305	0.5
74.35085	0.5
95.74551	0.5
129.43423	0.7
187.31413	0.6
271.49335	0.6
378.88535	0.6
484.15433	0.6
561.51123	0.7
665.42438	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	667.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38523	0.3
63.99490	0.3
71.01357	0.5
77.23180	0.3
92.22535	0.4
94.34409	0.4
107.01363	0.5
115.04266	0.3
121.02951	1.7
125.02484	0.4
137.02480	0.6
151.00374	14.0
156.81023	0.4
178.99863	11.0
191.55606	0.4
193.04936	0.6
229.05196	0.4
243.03099	0.7
248.39828	0.4
255.03018	4.8
257.04688	0.4
265.43430	0.5
271.02481	8.9
272.03333	0.5
273.04065	2.1
283.02478	0.7
299.02017	2.7
300.02774	100.0
301.03552	66.6
384.46133	0.4
463.08871	22.1
505.09940	61.4
667.15265	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	667.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37545	0.4
52.31508	0.4
56.75063	0.4
59.01366	0.8
61.42332	0.4
70.69674	0.4
70.82829	0.4
71.91403	0.4
75.00865	8.4
85.02963	0.8
87.00858	2.0
89.71229	0.5
96.95999	1.0
99.00871	3.5
119.05019	10.1
121.24918	0.5
128.04570	0.6
129.01930	13.2
159.02908	1.7
161.04613	0.8
163.04004	22.7
177.04030	3.2
179.03522	2.0
179.05624	9.7
195.05112	100.0
260.51547	0.6
277.67627	0.5
318.05490	0.5
322.67764	0.5
325.09274	4.9
341.08783	35.7
354.14853	0.7
355.14929	0.8
360.13626	0.6
667.23169	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	667.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74366	0.2
55.01881	0.3
59.01379	1.0
71.01381	1.1
72.99310	1.0
73.02956	0.3
85.02924	0.8
89.10863	0.2
108.02171	17.2
109.02193	0.3
109.02943	9.3
113.02461	0.9
121.02937	0.3
123.04530	0.3
125.52404	0.2
133.03061	0.3
134.03731	9.1
135.04482	2.4
137.02435	0.9
148.05289	0.3
149.02524	0.3
149.04842	0.4
149.06078	15.3
152.01152	100.0
153.01933	4.5
161.02457	0.4
163.04005	3.3
166.02705	0.4
175.04063	0.3
178.02733	1.4
179.03496	5.2
192.04234	1.8
193.05087	1.1
205.03870	1.4
207.03004	0.4
212.23802	0.2
223.60748	0.3
253.07164	1.1
267.05151	1.0
267.08752	6.9
273.52823	0.3
285.06134	0.5
311.24826	0.3
377.13614	1.0
399.09363	10.7
417.10498	0.4
667.18884	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	667.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.6
59.09825	0.9
63.11858	0.9
87.58888	0.9
95.54837	1.1
99.04514	1.3
117.91740	1.0
121.38301	1.0
125.02401	1.3
140.63904	1.0
164.02354	1.0
196.15326	1.0
247.97334	1.2
254.80382	1.2
495.16852	8.1
507.16852	31.7
508.17947	2.4
521.18231	6.5
522.19067	1.6
523.19904	2.5
533.14252	1.3
534.15808	6.2
535.17297	4.4
549.17828	18.4
553.17102	8.4
554.18079	4.4
566.17731	9.5
581.20984	7.5
635.21497	1.4
667.21777	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	667.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61250	0.9
61.98823	0.8
63.59478	0.8
65.76824	0.8
87.00871	34.9
92.69759	0.9
100.37827	1.1
126.81249	1.0
137.02426	1.3
151.00336	1.0
152.04602	1.5
166.02698	22.8
181.05075	100.0
205.08722	1.3
207.06577	1.4
268.69748	1.1
387.10919	13.3
390.67691	1.1
402.13275	20.8
417.15588	34.7
505.17221	23.1
525.65332	1.3
558.03021	1.3
667.22516	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	667.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87595	1.7
59.01375	2.1
61.98818	1.9
68.04615	1.6
75.14964	1.7
80.79174	1.8
116.92867	1.9
225.46907	1.7
417.20944	15.4
418.22089	1.9
419.22681	3.1
431.22275	3.9
432.22794	3.5
433.21133	7.2
445.20383	66.7
448.19028	3.9
457.72910	1.8
459.21860	3.8
460.22714	17.3
461.23444	2.6
463.21277	11.8
475.18079	2.8
477.23181	28.8
478.23441	3.3
481.89786	2.0
487.21356	3.2
490.20358	3.4
504.21857	3.7
505.22363	13.0
507.20633	2.2
519.23706	4.0
521.21454	2.1
531.20764	2.7
532.21613	16.2
535.19318	20.4
547.23633	100.0
547.32037	4.1
564.24365	6.1
578.12878	2.1
579.26556	17.4
580.02161	2.0
591.22827	15.8
594.21100	3.0
605.22980	2.2
608.22589	12.5
623.25250	23.5
635.22125	8.9
667.24121	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	667.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
60.88061	0.9
77.96511	1.0
78.95893	1.1
85.04076	1.7
86.02482	1.8
88.04033	12.9
91.24536	1.2
96.96006	9.2
98.02435	1.1
114.01980	2.0
115.05126	4.3
134.03751	2.4
141.06760	1.5
149.12906	1.1
150.03227	5.7
164.04802	4.6
165.05554	15.1
167.03659	1.0
169.09773	1.3
179.07071	1.3
187.10901	5.0
193.05109	2.4
195.06715	2.4
200.14128	1.7
203.08252	5.8
208.03844	7.1
213.08838	1.3
215.10364	1.5
220.10934	1.9
223.06113	15.5
244.13110	1.8
301.15189	5.0
303.14551	1.9
313.15518	1.7
340.14032	1.9
345.15707	1.9
419.13654	8.2
430.21182	4.6
437.87848	1.6
448.22018	7.1
603.28094	7.9
623.20026	8.1
636.86304	1.3
667.27887	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	667.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34941	1.1
50.85501	1.1
55.44907	1.2
56.47805	1.3
59.01380	8.2
59.04200	1.5
61.48573	1.3
74.05574	1.1
99.77073	1.6
99.84766	1.3
136.99861	1.5
161.47388	1.7
200.82539	1.5
267.11533	10.2
279.11646	2.0
343.60110	1.6
350.47656	1.6
407.19995	2.1
432.19275	11.7
438.14682	2.2
460.18698	2.4
489.19531	8.7
491.17432	2.0
505.18872	17.0
506.19489	2.5
513.56683	1.6
521.22217	7.1
533.17926	3.1
549.21332	1.7
561.21313	3.2
565.20892	7.3
566.23206	2.1
577.22083	3.2
592.22992	2.3
593.24219	75.1
635.24786	1.7
637.23267	3.4
652.25494	100.0
667.27893	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	667.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59127	0.4
57.03450	1.9
59.01368	2.6
61.35149	0.6
65.03967	0.9
71.33805	0.4
83.05026	2.3
87.00869	2.9
89.02459	0.6
95.05048	0.9
111.04506	2.4
111.08173	0.8
113.02415	0.5
121.06595	1.0
123.08158	16.2
134.03743	0.7
135.03040	0.5
137.09723	0.8
139.07643	2.0
145.10254	1.1
151.07639	1.1
153.09198	3.0
163.04031	2.6
165.05560	0.5
169.08707	0.7
169.10153	0.9
171.11801	21.4
175.11243	0.7
189.12871	6.9
193.05022	3.9
201.12895	8.4
207.13925	4.8
219.13834	3.3
228.16479	0.5
237.14978	23.8
281.06882	2.7
281.13971	100.0
319.61035	0.5
355.10580	0.5
403.58014	0.5
429.05984	0.5
538.34979	0.5
667.33057	2.2
679.37073	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59127	0.4
57.03450	1.9
59.01368	2.6
61.35149	0.6
65.03967	0.9
71.33805	0.4
83.05026	2.3
87.00869	2.9
89.02459	0.6
95.05048	0.9
111.04506	2.4
111.08173	0.8
113.02415	0.5
121.06595	1.0
123.08158	16.2
134.03743	0.7
135.03040	0.5
137.09723	0.8
139.07643	2.0
145.10254	1.1
151.07639	1.1
153.09198	3.0
163.04031	2.6
165.05560	0.5
169.08707	0.7
169.10153	0.9
171.11801	21.4
175.11243	0.7
189.12871	6.9
193.05022	3.9
201.12895	8.4
207.13925	4.8
219.13834	3.3
228.16479	0.5
237.14978	23.8
281.06882	2.7
281.13971	100.0
319.61035	0.5
355.10580	0.5
403.58014	0.5
429.05984	0.5
538.34979	0.5
667.33057	2.2
679.37073	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94361	0.6
56.14139	0.6
57.03450	1.2
57.37346	0.6
59.01371	3.5
65.50867	0.6
71.01386	0.7
79.00446	0.6
85.02944	0.8
92.23124	0.7
96.96006	1.6
99.00864	0.9
99.04520	3.5
101.02426	3.7
125.02420	3.3
125.92281	0.6
133.89557	0.7
148.47556	0.6
163.35837	0.6
174.79478	0.7
185.60501	0.6
479.10068	1.2
563.34381	3.5
581.35187	1.2
623.36591	3.7
667.36285	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92361	0.5
55.19508	0.4
59.01364	0.8
71.26759	0.6
92.23117	0.7
105.75736	0.5
108.26566	0.5
120.69196	0.5
124.32867	0.5
142.15800	0.5
163.89984	0.5
621.87262	0.5
667.36255	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57528	0.9
52.60391	1.0
52.97899	1.2
57.03451	2.3
57.45026	0.9
59.01382	10.1
71.01373	4.3
73.02935	1.6
96.60201	1.3
99.04488	1.8
101.02449	4.9
113.02465	1.9
125.02407	1.8
172.69347	1.3
180.35704	1.2
266.92047	1.2
371.02560	1.1
380.11380	1.2
523.02289	4.6
563.34528	2.8
565.03217	2.2
607.37091	5.1
623.36517	1.7
667.36304	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00223	3.2
51.31994	3.2
51.86239	3.3
57.03448	6.3
59.01382	26.4
71.01379	8.8
73.02903	3.6
85.02961	6.0
88.90640	3.9
89.02422	4.9
92.18256	3.9
94.08656	3.4
99.00883	3.9
99.04503	16.7
101.02446	24.4
106.91029	4.1
113.02440	16.3
116.92893	5.1
125.02447	5.5
165.12816	16.4
193.05174	4.9
211.74002	4.1
238.84190	4.1
276.02353	3.9
326.60083	4.7
563.34497	8.6
607.37207	7.4
667.06512	5.5
667.25610	18.7
667.36151	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26120	0.7
55.01857	0.6
57.03194	1.0
57.03453	24.2
59.01381	37.0
62.70484	0.6
67.75690	0.7
71.01376	20.7
71.10699	0.7
71.98739	0.7
73.02944	4.6
74.20156	0.6
74.49014	0.7
83.01382	3.0
85.02946	8.1
87.00880	0.7
89.02436	15.0
95.01409	1.0
99.00887	0.9
99.04502	16.9
101.02434	27.5
111.00874	2.6
113.02434	12.7
119.03491	5.7
125.02451	7.3
129.01929	0.7
152.21960	0.7
159.03008	1.7
161.04541	3.1
173.67419	0.7
183.13879	0.9
185.15398	1.1
202.71289	0.8
227.16364	0.8
229.18053	3.3
302.30850	0.8
345.26456	2.9
359.28036	3.9
361.29688	10.9
449.27832	1.3
476.19122	0.8
487.33884	1.4
505.33929	10.8
523.34918	46.1
565.35901	7.6
607.25958	1.2
623.32825	1.2
667.39691	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83411	0.9
54.39691	0.8
55.01875	2.0
56.56878	0.9
57.03447	19.3
59.01382	27.6
65.52501	0.9
69.21986	0.9
71.01382	16.7
73.02936	10.3
77.06322	0.9
83.01358	2.4
85.02944	10.8
87.00852	2.3
89.02440	6.9
95.01388	2.3
99.00895	1.9
99.04507	11.2
99.84389	0.9
101.02441	24.3
104.67448	0.9
111.00840	3.8
113.02430	12.9
119.03548	2.5
124.21205	1.2
125.02449	7.0
129.01973	1.3
137.86856	1.0
141.01949	1.2
143.27029	0.9
159.03003	1.3
161.04578	2.1
172.96132	1.2
196.81325	0.9
239.13029	1.1
271.23001	1.5
315.25427	2.3
361.29550	8.0
417.24902	1.1
432.73401	1.2
475.13013	1.0
505.33896	10.6
523.34930	39.5
523.42395	1.9
555.01501	1.1
563.33636	1.5
565.36212	4.5
607.37573	1.9
623.33453	1.8
637.92456	1.2
640.98462	1.2
667.39429	100.0
681.28436	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.6
57.03456	4.7
58.00570	0.6
59.01381	49.6
59.60868	0.5
71.01374	25.0
72.99295	0.7
73.02940	1.1
79.18103	0.7
83.01357	1.6
85.02943	6.1
87.00832	1.0
89.02440	32.5
95.01381	1.5
99.04517	2.7
101.02444	20.3
113.02438	13.7
119.03482	10.5
140.64009	0.7
152.01125	1.3
156.84071	0.7
179.05617	0.8
279.44818	0.7
375.20374	2.6
491.97336	0.7
523.34814	4.8
667.39233	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	4.0
58.00579	1.0
59.01381	43.2
71.01377	21.2
73.02934	4.3
75.00895	0.8
83.01414	2.2
85.02953	7.7
85.56053	0.7
87.00854	0.8
89.02432	27.3
95.01415	2.9
99.00855	1.0
99.04520	1.7
101.02439	21.9
103.00367	0.8
111.00841	0.9
113.02440	15.1
119.03481	9.2
125.02428	1.1
125.74613	0.7
136.31081	0.7
143.03473	1.0
145.02934	3.3
159.28363	0.8
160.43741	0.8
161.04547	1.1
164.55260	0.7
165.12787	6.3
179.05580	1.0
183.13870	3.3
229.18066	0.9
299.31488	0.9
455.88449	0.9
635.33325	0.9
667.28064	7.6
667.39203	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62944	1.0
53.27624	0.9
57.03447	7.1
57.27816	1.2
59.01383	56.8
60.77229	1.0
63.26466	1.0
70.83968	1.5
71.01377	31.5
72.99292	1.7
73.02951	3.2
82.62469	1.4
83.01386	2.3
85.02953	12.1
87.23245	1.1
89.02438	34.1
95.01372	2.6
99.04511	5.6
101.02449	25.3
113.02439	17.2
116.91251	1.3
119.03493	8.5
121.03036	1.2
125.02465	1.9
134.85011	1.2
143.31538	1.4
152.01167	2.3
158.62456	1.3
159.03041	1.4
160.01659	2.5
161.04591	2.8
175.03992	17.3
181.23018	1.4
277.08838	1.4
307.67908	1.5
445.15121	12.0
523.27747	6.7
523.34869	1.7
607.32800	1.9
623.33344	2.2
667.30078	5.3
667.39514	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25782	2.7
57.03449	100.0
58.84525	2.8
59.01382	54.5
63.29524	3.1
66.78963	3.1
68.96980	3.3
69.73602	3.0
78.87275	2.8
84.10827	3.2
90.32684	2.9
92.34076	3.0
99.04511	93.6
100.49003	3.0
101.02441	20.8
103.55116	3.1
125.02441	44.3
149.58217	3.3
169.21544	3.0
222.41602	3.6
279.23297	42.0
296.88953	3.6
299.70337	3.0
344.51620	3.5
496.97787	4.0
667.27460	6.5
667.40143	7.1
695.97400	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	667.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70260	0.7
56.23043	0.6
57.03453	100.0
58.74622	0.6
59.01387	56.5
71.01358	0.8
81.03477	1.5
99.04519	97.4
101.02444	17.4
125.02445	47.1
137.57704	0.7
143.03479	3.1
183.84996	0.7
255.39719	0.8
277.21762	43.7
326.54947	1.0
390.37573	0.9
667.40729	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	667.4441
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70938	1.3
55.25994	1.2
59.01384	100.0
64.10172	1.2
64.72119	1.3
70.68322	1.1
85.54312	1.3
167.28871	1.3
383.88055	1.4
400.00031	1.5
457.08865	1.5
535.99542	1.6
667.45081	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	668.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14986	1.3
59.01378	8.0
61.98831	100.0
68.54688	1.5
69.32789	1.5
73.02937	7.4
94.41035	1.7
101.02431	6.2
113.02441	1.9
126.38528	1.7
136.01659	11.2
149.04440	1.9
151.04010	71.7
154.73723	1.8
161.04562	2.4
178.50252	1.7
221.06693	2.3
281.08203	1.9
309.07788	20.8
324.10089	18.8
337.67252	2.1
339.12451	26.2
342.11273	6.9
357.13440	79.2
422.96411	2.0
561.20123	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	669.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25973	0.8
63.42288	0.9
65.88962	1.0
80.71648	1.0
83.58231	0.9
118.06270	1.2
234.07782	1.0
268.03732	21.0
283.06152	100.0
474.14703	1.1
564.99896	1.3
669.15845	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	669.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10195	1.1
50.74363	1.0
52.01274	1.2
52.54134	1.0
54.37357	1.1
57.03455	1.9
59.01383	6.4
63.38332	1.3
68.90411	1.1
71.01370	11.0
72.99308	1.5
75.00867	14.4
85.02944	2.6
87.00861	5.3
89.02435	5.5
96.96023	2.7
99.00861	11.3
110.64573	1.2
113.02367	2.8
116.92855	2.1
117.92845	1.4
118.17937	1.4
118.92664	1.9
119.05016	9.2
129.01938	25.3
147.04532	1.8
159.02962	2.3
163.04007	37.1
165.05583	2.1
177.04091	13.4
193.05025	9.4
195.03300	2.2
195.05106	64.8
240.53557	1.4
327.10739	1.9
341.08780	100.0
575.88373	1.4
669.20306	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	669.241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30037	0.6
55.79541	0.7
58.08346	0.6
59.01382	37.9
63.02170	0.7
67.26041	0.7
71.01373	1.5
92.23042	1.1
96.96007	1.3
100.76384	0.7
109.57539	0.7
119.05015	1.2
124.08282	0.8
137.02443	1.1
140.30423	0.7
147.04521	57.5
150.03253	8.9
152.90703	0.8
164.04810	0.9
165.05563	100.0
176.04741	1.2
179.03539	0.9
180.04256	3.6
194.05870	4.8
195.06622	21.6
207.06642	44.7
209.08261	7.5
249.19542	0.8
278.88617	0.8
405.15628	13.3
408.96207	0.7
433.60657	0.8
648.22552	0.8
669.31091	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	669.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65387	0.4
53.25340	0.3
57.03450	4.4
58.02966	3.8
59.01382	2.9
70.02969	7.3
72.04540	1.6
74.02464	29.9
98.02477	6.8
99.04501	5.1
101.02452	2.1
110.99334	0.4
116.03534	17.6
116.05043	6.6
124.50768	0.4
125.02384	1.7
132.57727	0.4
159.09241	1.0
183.09297	0.5
201.10301	5.2
203.08273	55.0
235.11882	2.7
245.09314	100.0
289.08347	6.9
335.96301	0.6
351.90634	0.5
379.16113	11.7
434.11859	0.5
461.99094	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98841	0.9
67.15843	0.9
75.51003	1.0
87.07581	0.9
106.06607	1.0
116.92822	1.0
134.06090	2.0
136.07675	2.1
163.32591	1.2
206.04546	2.3
223.12434	4.5
225.10294	4.4
225.14000	6.2
239.08189	1.2
251.08400	1.7
253.09912	2.1
253.13451	1.4
263.08273	1.6
265.09811	1.7
266.07056	1.2
281.09409	2.3
348.82971	1.2
360.13510	3.9
381.96240	1.2
383.12769	2.0
418.14261	2.1
463.21298	2.2
475.21503	2.1
476.22720	1.5
477.23441	16.2
478.23669	2.5
499.21350	8.3
501.19165	2.1
504.17679	13.3
505.22311	13.6
506.23499	1.3
507.19766	2.0
515.20929	4.3
517.22479	6.9
543.20575	6.0
549.22083	4.1
561.21222	12.5
575.23340	6.4
593.24017	2.5
605.20770	2.2
619.21704	2.1
637.23126	100.0
669.25781	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	669.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	23.4
59.35884	4.0
63.28432	4.2
83.76384	3.9
92.50549	4.8
116.92876	50.6
117.92863	18.2
131.45293	4.5
142.10545	5.1
142.48648	4.4
155.14655	4.8
186.55511	5.1
204.08148	5.8
206.87248	5.8
265.88406	5.0
333.12418	6.3
419.18997	5.6
435.18460	5.5
436.19254	8.8
489.18961	5.4
490.20099	5.4
491.20734	9.8
553.64374	5.2
560.86420	5.5
577.65240	6.6
593.24152	10.3
595.22168	21.9
610.24512	9.3
625.27100	33.1
669.25873	100.0
683.78864	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	669.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
59.07720	0.5
59.71648	0.5
61.98845	0.6
63.50052	0.5
65.39154	0.5
95.55916	0.6
106.06579	0.7
110.22437	0.5
116.92827	2.5
119.10704	0.7
131.38353	0.6
137.96805	0.5
189.78174	0.6
206.08597	0.6
223.12495	1.0
225.10312	3.9
225.13872	4.5
235.08710	1.0
251.08420	0.8
251.11942	1.0
252.09192	0.9
253.09880	1.5
254.10632	0.8
265.09915	1.0
266.26901	0.6
281.09229	1.4
462.20859	1.4
463.21417	3.1
475.07135	0.7
475.21368	2.9
477.23624	9.2
478.23761	4.2
479.65671	0.7
489.22839	1.3
499.21329	7.9
504.17584	9.4
505.22333	10.6
506.23291	1.4
507.20245	2.3
515.20831	3.1
516.21106	0.7
517.22485	2.7
543.20685	4.3
549.21796	3.1
561.21564	7.5
575.22986	4.0
577.21198	0.8
593.24139	1.0
595.21942	2.9
605.19952	1.1
609.22559	0.8
619.22174	1.2
637.23145	100.0
669.25116	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	669.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.1
57.72005	0.9
79.44160	0.9
92.22490	1.3
99.04495	4.6
106.06613	10.9
109.21081	1.0
125.02433	1.8
132.04547	1.3
232.15732	1.0
239.11861	3.9
265.09848	1.9
325.12479	1.1
354.16174	1.5
372.17163	2.0
382.15881	8.1
384.17209	1.7
400.16876	2.0
410.15277	1.5
414.18536	1.6
442.17545	1.3
448.28369	1.2
469.33298	1.6
473.19748	4.0
487.22009	1.4
499.21292	2.1
501.19446	4.2
515.21088	11.8
516.21741	4.5
517.21936	1.9
528.17957	2.2
543.20563	12.2
545.18500	1.5
575.22931	19.5
595.87781	1.2
619.22070	100.0
637.22986	10.5
669.25824	18.4
669.35956	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	669.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87110	1.0
56.25300	1.0
57.03444	1.2
59.01384	68.6
60.98957	1.2
65.53532	1.2
69.19298	1.1
71.01011	2.1
71.01382	48.0
72.99301	1.7
73.02940	18.1
83.01389	6.7
85.02949	12.3
85.47303	1.3
87.00884	6.4
88.75089	1.1
89.02441	79.3
93.03450	8.0
95.01360	2.3
97.02943	3.0
99.00872	20.9
101.02444	53.6
113.02444	30.2
119.03485	19.6
125.02441	21.1
130.32516	1.3
131.03487	10.4
136.77145	1.2
137.02446	22.4
143.03490	5.4
147.49709	1.2
149.04568	7.6
158.65305	1.3
159.02977	1.9
161.04552	9.7
179.05606	6.9
183.22008	1.3
191.05617	9.8
203.05640	2.3
221.06691	8.2
222.03262	1.3
265.13754	1.4
270.50394	1.3
311.45569	1.6
403.20313	1.5
421.20761	5.5
565.25153	69.3
583.26141	47.9
625.27191	100.0
669.40228	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	669.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45138	0.7
57.03456	1.4
59.01108	1.5
59.01385	31.3
59.53919	0.8
67.65393	0.7
71.01369	10.8
73.02937	11.0
81.07105	1.9
83.01388	2.1
84.96377	0.9
85.02939	6.7
85.06573	1.8
89.02438	8.1
90.82071	0.9
92.22455	1.9
99.04493	3.6
100.58575	0.8
101.02440	14.7
110.65767	0.8
113.02446	9.4
119.03464	1.7
125.02407	3.4
134.03746	1.4
139.67384	0.9
140.34029	1.0
185.49277	1.0
195.01865	1.0
281.15527	6.9
323.16727	1.3
365.21231	3.6
366.35516	1.0
417.23859	1.5
447.29099	5.3
465.30569	1.7
545.10785	1.1
591.33368	1.5
597.30676	1.3
609.34326	22.0
612.32837	1.4
627.35327	3.5
628.94312	1.0
651.35468	1.2
654.34479	1.5
669.36542	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65740	0.8
56.70253	0.8
57.03445	4.5
58.24934	0.9
59.01370	4.7
59.99544	1.0
60.25393	0.9
67.95443	0.9
68.33373	1.0
80.70880	0.9
99.04509	7.2
101.02406	1.6
118.99583	0.9
125.02433	6.4
134.03795	1.3
139.46614	1.0
160.20599	1.4
272.17679	1.2
593.96198	1.2
633.40485	2.1
669.37903	100.0
677.30414	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48309	1.3
54.13258	1.4
56.57280	1.4
57.03439	3.3
59.01381	7.2
71.01375	2.5
89.32683	1.6
92.23136	1.9
99.04456	5.0
113.09693	1.8
135.41699	1.8
172.50554	1.6
227.42467	1.8
265.44174	1.6
332.68231	1.7
343.23813	1.6
384.86819	1.6
418.10757	1.6
441.16956	1.8
609.38464	3.5
651.89380	1.7
669.37793	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41208	1.6
59.01369	2.1
59.76770	1.6
62.50800	1.8
71.46661	2.0
77.14981	1.9
82.36533	1.8
116.92835	2.5
124.28871	2.1
125.02419	3.8
126.45058	2.3
190.41805	2.1
414.65073	2.4
501.19345	3.4
575.23010	4.6
619.22479	22.1
637.21234	2.7
669.25287	9.2
669.37610	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	669.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74299	0.9
52.78212	1.0
57.03461	1.5
59.01386	2.7
59.89939	1.0
62.73883	0.9
85.02917	1.2
93.19746	1.2
96.36390	1.2
98.40916	1.2
99.04517	2.3
101.02454	1.5
125.02420	1.4
125.70380	1.2
223.92319	1.2
301.32858	1.1
386.01630	1.2
440.62320	1.4
466.18262	1.3
609.38593	4.8
647.91742	1.5
669.37463	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.407
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76077	0.6
53.03705	0.6
55.01908	0.7
55.25267	0.6
57.03452	1.4
59.01383	22.4
67.99821	0.7
71.01378	19.5
72.99284	0.8
73.02943	9.2
83.01392	5.6
85.02943	12.7
89.02429	9.8
92.04846	0.7
95.01389	0.9
99.00859	3.3
99.04472	1.0
101.02438	30.1
111.00888	1.2
113.02448	13.6
119.03493	1.6
124.41444	0.7
125.02456	1.2
129.01941	0.8
138.65761	0.8
159.02979	1.7
161.04570	1.3
211.28276	0.7
345.30072	3.0
439.12988	1.1
453.80676	0.8
507.35739	4.8
596.68201	0.9
669.40826	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78962	0.4
59.01377	26.0
62.59589	0.5
68.42875	0.4
71.05994	0.4
80.75961	0.5
83.95927	0.7
85.06577	3.4
113.06084	16.5
131.07130	100.0
152.01106	1.0
172.20064	0.5
173.08186	46.8
217.07043	2.0
279.47006	0.5
551.26636	0.5
625.42133	1.8
669.19318	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.4594
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78017	0.8
57.03441	1.5
71.81757	0.9
75.82500	1.0
79.92004	0.8
97.06567	7.1
111.08139	1.4
116.01882	1.0
123.08202	1.6
125.09711	93.0
169.08655	2.3
184.82861	1.1
187.09760	48.2
208.02977	0.9
225.11165	1.4
243.12341	4.4
255.20795	2.1
255.23306	39.2
261.13351	8.8
343.62521	1.3
499.36856	1.2
562.09088	1.2
625.25134	1.2
669.45947	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
74.74450	1.1
89.66878	0.9
101.11461	1.0
103.34953	1.0
115.77659	1.2
134.04723	100.0
157.28365	1.2
194.24126	1.1
283.83853	1.4
328.04532	37.7
499.27695	1.1
534.23468	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17901	0.3
56.37410	0.3
57.03442	2.5
59.01387	4.3
59.57677	0.3
59.61652	0.3
63.50096	0.3
71.01373	10.5
72.99310	0.9
75.00866	9.7
85.02965	3.5
87.00869	3.0
89.02436	2.7
97.02950	0.5
99.00871	13.3
101.02450	0.5
110.99413	0.4
111.00839	0.8
113.02420	0.4
117.01962	0.4
119.03616	0.4
119.05003	8.8
129.01936	22.0
131.03481	2.0
141.01964	0.6
145.02957	2.5
159.02997	3.6
161.06094	1.7
163.04010	31.6
165.05603	1.8
165.77812	0.4
177.04059	18.5
177.05583	0.8
179.07108	0.6
195.05110	61.7
205.05069	3.2
223.58809	0.4
239.36264	0.4
261.86798	0.4
265.07114	0.5
281.13004	0.4
341.08792	100.0
342.09048	0.9
343.09225	0.5
343.81033	0.4
413.38861	0.4
423.16742	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	671.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78095	0.5
59.01389	7.8
66.52640	0.6
68.31801	0.7
71.01376	10.7
71.02412	0.6
72.99306	1.5
73.02906	2.0
74.02437	0.8
75.00861	8.4
77.29867	0.6
81.39053	0.7
85.02946	12.0
87.00859	3.5
89.02457	4.8
92.84998	0.6
94.30097	0.6
95.01353	3.9
99.00859	5.4
103.00343	1.3
104.40378	0.6
109.06589	16.5
111.00852	0.9
113.02444	26.9
115.00346	3.4
117.01942	1.4
119.04992	4.1
127.07642	39.5
129.01929	1.5
135.04462	0.7
153.05550	5.6
157.01370	0.8
163.04002	13.3
171.06596	4.9
175.02443	2.9
205.07188	2.3
207.05226	0.7
211.37909	0.6
245.10324	2.7
249.06125	12.9
257.78546	0.6
261.08899	1.0
267.07196	18.0
325.09314	5.2
359.13498	1.3
495.17386	1.0
513.36066	0.7
671.20483	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.222
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	28.0
58.71577	2.6
59.01370	3.9
60.32050	2.9
61.98836	37.4
85.81457	3.1
92.53046	2.6
93.67420	2.8
97.02912	4.6
97.25651	3.0
99.04496	6.3
101.02418	3.6
124.05302	3.3
125.02459	5.3
137.06015	3.6
139.07649	99.0
144.77499	2.8
160.05295	3.4
163.03952	3.9
168.07895	26.6
175.07672	6.2
176.07962	3.5
187.11273	12.5
205.12340	44.6
235.13643	3.3
243.90831	3.4
259.13199	3.1
273.11298	5.0
279.12360	100.0
321.13516	11.1
329.13989	23.5
330.14423	27.7
359.15063	5.1
360.15332	12.2
463.32291	2.7
483.18759	32.4
564.21454	4.4
582.58447	3.2
627.22943	24.3
663.48065	3.6
671.21594	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	671.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46107	0.5
53.85707	0.6
57.03434	0.7
59.01369	0.7
61.92355	0.5
64.82813	0.6
94.14484	0.7
99.04526	1.0
110.00109	0.8
112.21867	0.6
165.00529	0.6
165.01910	4.4
165.12814	3.0
183.13911	6.9
203.14462	0.7
209.06909	0.6
222.94104	0.8
227.03513	3.2
227.12883	1.0
233.11949	0.8
240.04225	0.8
243.06696	1.0
251.12936	1.1
255.03040	8.0
256.03745	5.8
271.06158	8.5
283.02475	27.2
284.00058	1.1
284.03278	48.8
293.13928	5.3
298.04877	24.0
299.05630	100.0
371.17102	10.7
671.23560	61.0
671.35913	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69477	0.9
57.03447	1.5
59.01383	38.3
62.87894	0.9
65.14611	1.1
69.03448	1.5
71.01376	42.0
72.17204	0.9
73.02940	24.0
81.03426	1.5
83.01389	8.5
85.02937	18.8
87.00865	6.3
89.02441	21.7
95.01379	2.2
97.02930	8.0
99.00887	12.2
99.04481	1.3
101.02442	52.5
111.00881	1.5
111.38648	1.0
113.02455	28.7
115.03976	1.4
117.01875	1.2
119.50983	1.1
123.04565	1.5
125.02440	20.5
131.03430	2.4
143.03494	5.7
147.71451	1.0
149.04620	1.8
155.03369	1.2
159.02975	5.7
161.04565	19.1
223.76472	1.1
229.14491	1.8
233.06593	2.1
246.96539	1.2
291.18170	35.8
316.50040	1.2
405.21332	1.9
423.22629	10.8
435.22293	1.7
453.23563	2.1
495.24783	1.3
567.26642	65.0
585.27802	39.6
627.28809	100.0
671.27301	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	671.278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.8
55.20091	1.0
55.57344	1.5
56.90260	1.1
59.01383	49.4
71.01379	39.9
73.02945	29.3
73.28773	1.1
77.78987	1.1
78.98818	1.3
83.01385	10.3
85.02937	16.2
87.00903	9.6
89.02443	28.9
95.01387	2.6
97.02975	1.5
99.00871	7.0
101.02441	56.9
103.00583	1.2
113.02451	28.4
119.03492	8.5
125.02451	5.5
131.03510	2.5
139.03970	1.7
143.03522	2.3
148.12247	1.3
149.04620	2.0
154.29010	1.2
159.03004	1.9
161.04578	15.6
179.31232	1.2
192.19926	1.4
248.04155	1.6
291.18112	24.0
343.29800	1.3
423.22470	13.1
527.29407	1.4
567.26642	55.2
585.27777	45.6
627.28772	100.0
671.34943	1.8
684.40979	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	671.278
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42992	0.8
53.97413	0.8
57.03465	0.7
59.01381	100.0
61.98840	1.1
67.20404	0.9
71.01368	11.7
73.02943	4.1
83.01383	1.8
85.02934	4.3
89.02451	2.1
99.00882	3.5
99.37794	0.9
101.02435	21.1
105.17044	0.9
113.02448	10.2
124.77766	1.2
137.96890	1.0
159.03006	1.6
161.04552	13.4
163.03989	1.0
187.50220	1.0
225.88416	1.1
249.11028	1.8
249.13445	33.3
279.23492	1.1
291.14548	40.5
422.59198	1.0
523.24182	1.1
671.32312	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	671.381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95109	1.0
52.54238	0.8
57.03448	2.2
59.01385	100.0
62.76855	0.8
71.01389	10.7
73.02943	6.6
83.01396	1.4
85.02941	6.4
89.02442	5.9
90.86395	1.0
92.23074	1.3
101.02438	12.7
113.02471	7.3
125.02464	1.2
145.52238	1.1
152.99667	1.0
159.02760	1.1
181.08537	1.1
217.76222	0.9
255.23317	1.4
297.18637	11.7
299.19986	1.3
324.54721	1.2
436.77420	1.1
449.30499	1.9
457.81107	1.3
467.31802	1.8
492.92752	1.1
587.55774	1.3
611.35999	51.0
624.36255	1.2
629.37030	17.7
671.38025	47.4
671.49121	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	671.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.2
57.78404	1.0
59.01383	87.5
65.90146	0.8
71.01373	36.7
71.01733	1.9
73.02545	1.9
73.02940	35.4
83.01391	8.7
85.02946	15.6
87.00794	1.1
89.02438	21.8
95.01376	6.1
95.02285	1.0
99.00903	1.4
99.04520	1.3
101.02439	41.2
113.02445	33.1
119.03492	8.2
125.02430	2.3
131.03523	1.9
143.03500	4.1
149.04506	1.9
161.04514	9.0
179.05551	1.8
221.06694	4.3
223.53210	1.1
396.77005	1.2
449.30743	14.2
467.32394	1.3
611.35980	53.8
629.37054	28.6
671.38098	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97758	0.9
53.86861	1.0
57.03450	1.2
59.01382	100.0
67.42590	0.9
71.01379	28.8
72.99289	1.1
73.02938	21.2
78.95900	1.2
81.07091	2.6
83.01376	7.2
85.02936	12.8
89.02435	20.7
95.01374	4.1
95.26757	1.0
97.06574	1.4
99.00867	1.2
101.02444	26.7
113.02437	21.2
119.03484	6.5
123.20213	1.1
125.02422	1.1
131.03468	1.5
145.39467	1.0
161.04536	4.2
168.27098	1.1
255.23343	1.9
262.75943	1.0
323.20160	1.2
337.18243	1.8
367.22784	18.5
400.65430	1.1
419.25781	2.3
449.30499	9.2
467.31726	2.6
599.31860	1.6
611.35931	90.0
614.34808	1.9
629.37128	24.6
671.38086	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	671.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55010	1.0
57.03443	2.4
59.01375	2.7
66.44042	0.9
81.06326	1.1
83.75861	1.0
86.71018	1.0
99.04510	4.4
112.96379	1.2
114.08009	1.2
125.02442	1.1
130.25269	1.4
138.79031	1.2
149.49957	1.1
149.72089	1.3
172.26372	1.1
284.03470	1.4
312.41315	1.3
671.39423	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.5
65.17908	0.8
65.55039	0.8
77.91787	1.0
86.97161	0.8
89.02431	1.4
92.23080	1.0
134.22624	1.0
188.70171	1.0
253.29369	0.8
271.66864	0.9
351.86813	0.9
518.00372	1.0
671.39337	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66631	0.6
54.80592	0.7
55.40882	0.6
57.35565	0.7
59.01376	3.2
61.98838	1.2
66.17773	0.7
75.89041	0.7
87.70808	0.7
88.98771	1.0
94.09101	0.7
96.95957	0.8
99.04497	1.8
101.02451	1.3
113.02432	1.0
114.01846	0.8
150.06825	3.2
166.56314	0.9
179.10785	1.1
212.73390	0.8
331.80789	0.9
448.32050	0.9
463.34329	3.9
509.34589	5.5
513.44153	0.8
599.24780	0.9
671.39417	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93448	1.7
59.01356	1.4
64.93867	1.6
72.16960	1.5
74.85506	1.8
79.99578	1.4
116.92845	1.6
125.55537	1.6
159.52525	1.8
169.03430	1.8
207.98375	1.6
250.49495	1.6
466.16614	2.3
467.16788	1.8
483.20270	6.6
493.18692	2.2
510.15268	12.7
526.15088	40.5
569.16809	15.2
613.43024	3.6
673.21692	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78601	0.4
61.35435	0.5
65.47633	0.3
67.12774	0.3
67.77164	0.3
72.04652	0.3
73.02928	0.5
73.62985	0.3
75.00867	1.5
83.38770	0.3
93.52908	0.4
103.00419	0.5
134.08382	0.4
145.54021	0.4
228.91368	0.4
244.30011	0.4
249.23671	0.4
265.06027	0.4
448.88669	0.4
455.17380	2.0
466.16476	2.3
467.17380	0.7
468.18063	2.0
473.18228	2.6
479.17255	2.4
481.18872	2.3
482.18759	0.5
483.20645	7.3
493.19067	3.3
495.12735	0.5
496.18127	2.7
497.18179	0.6
507.16904	0.7
510.15302	18.9
511.16675	2.3
512.13446	0.7
521.18396	1.9
523.16077	5.7
524.17328	0.5
525.17731	2.2
526.14978	25.3
537.17725	3.2
538.18787	3.7
539.19543	0.7
542.16980	0.7
550.14905	4.4
553.20966	0.7
565.17834	0.7
569.16864	17.1
582.17719	0.7
599.17651	1.3
641.19165	1.7
673.21667	100.0
683.89209	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11302	0.8
56.92590	0.9
58.29154	0.7
59.01380	21.2
60.38628	0.9
64.18481	0.9
70.02976	1.9
71.01382	10.1
72.99300	4.3
73.02948	0.8
74.02467	18.1
75.00858	8.5
85.02942	12.2
87.00868	4.0
89.02423	4.9
95.01391	2.1
98.02464	2.4
99.00867	8.5
101.02415	2.1
103.00345	2.0
108.82980	0.9
111.08150	26.6
113.02448	20.1
115.00363	4.6
115.61092	0.8
116.03525	16.8
116.04258	1.6
117.01923	1.4
118.12939	1.0
119.03434	1.1
125.06065	1.5
128.03522	1.6
129.01888	1.0
132.04503	7.3
173.08188	47.8
175.02492	1.2
175.08627	1.2
178.70996	1.0
201.06731	4.5
219.07729	1.7
247.11894	7.3
249.06166	11.5
261.08807	35.1
267.07425	1.2
277.13022	1.6
301.15378	1.0
305.07858	1.1
305.12411	5.9
307.14108	1.7
361.15094	4.3
423.15076	1.6
497.18579	3.7
673.22064	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	673.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46611	0.6
57.03442	3.7
59.01378	8.4
65.63394	0.7
67.55172	0.7
71.01379	1.2
72.99283	0.6
73.02926	1.3
87.45082	0.7
95.22594	0.8
99.04507	5.6
101.02416	1.8
109.02955	8.0
113.02470	1.2
121.02943	25.0
122.03693	6.8
125.02459	1.6
135.04506	18.3
147.04472	1.3
154.73888	0.9
164.04756	1.6
165.12817	9.7
172.03899	0.8
175.54326	0.8
179.07097	4.4
183.13898	21.3
189.12863	0.9
197.15601	1.0
202.09923	0.7
203.14522	1.3
207.13940	4.2
221.15387	3.9
227.12878	4.4
228.69740	0.8
231.13913	0.9
233.11826	3.8
251.12846	3.9
265.14490	6.3
271.06033	4.6
286.08456	12.8
293.13986	1.0
299.05624	0.8
301.10837	52.9
360.70752	0.7
386.36160	0.8
487.64474	0.9
562.50201	1.0
613.37494	1.5
673.28760	100.0
673.37860	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	673.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40351	0.4
57.03453	3.6
59.01380	4.8
61.98830	0.5
70.05166	0.4
71.01377	3.0
73.02948	0.6
75.00871	0.6
78.26123	0.4
83.01357	0.5
85.02962	1.8
87.00868	0.5
89.02451	2.5
99.04514	4.2
101.02457	2.9
111.08152	0.6
113.02437	2.2
119.03485	0.6
125.02422	3.0
139.21056	0.4
145.72466	0.5
161.04532	0.8
165.12836	12.4
183.13905	100.0
195.13795	0.8
201.89215	0.4
209.11786	1.8
213.14954	4.4
223.43159	0.4
227.12903	6.3
235.08154	0.5
253.09309	2.2
317.21341	0.5
362.60510	0.4
413.54700	0.5
463.21933	0.9
510.42255	0.4
529.11340	1.0
655.33380	0.6
673.34424	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	673.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41985	1.1
56.93682	1.0
57.03452	100.0
59.01384	65.2
61.55581	1.2
66.17222	1.0
81.03490	1.3
99.04515	94.5
101.02444	16.9
117.05642	1.1
125.02430	56.0
143.03516	2.7
143.55199	1.2
215.57521	1.3
277.21747	48.3
348.65787	1.6
526.23920	1.4
574.66687	1.2
585.38342	1.2
673.36194	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	673.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	7.7
73.04046	2.4
74.02456	4.8
76.65479	1.0
78.95898	1.2
80.24729	1.0
95.02492	1.9
99.05685	1.2
101.02386	1.4
111.01985	1.2
112.05114	1.4
113.03568	9.9
125.03547	4.9
130.06194	7.1
131.04626	7.9
138.06647	1.2
142.06229	2.3
143.04648	1.7
144.07817	9.3
158.76463	1.2
161.14906	1.2
168.55190	1.1
169.60005	1.1
170.05714	4.7
187.08374	6.2
188.06769	5.8
194.30075	1.1
200.06732	1.5
201.09984	10.6
214.95001	1.1
226.21758	7.9
227.11484	1.5
245.08916	8.1
258.12064	5.7
266.21344	1.3
283.23938	8.1
284.22418	1.6
297.25528	1.7
302.11349	1.7
314.10999	1.6
315.14185	1.9
322.24887	6.2
323.23016	2.0
340.25897	6.0
379.27255	4.5
397.28275	15.7
398.26709	1.6
448.24945	1.3
569.33099	7.0
629.35156	1.3
643.36932	1.3
673.37866	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
57.03451	1.4
59.01382	100.0
60.49561	0.5
66.00301	0.4
69.03469	0.7
71.01379	25.5
73.02940	24.0
81.08573	0.5
83.01392	5.0
83.25945	0.5
85.02932	9.2
87.00887	0.9
89.02439	18.2
95.01387	3.8
97.02919	0.8
98.87630	0.5
99.00871	0.6
99.04540	0.7
101.02439	24.4
113.02446	25.8
119.03488	6.0
125.02349	1.7
131.03522	2.7
143.03499	3.5
145.63826	0.6
149.04584	2.8
161.04564	11.7
165.12828	5.0
179.05627	1.3
183.13896	27.0
221.06664	3.0
253.09468	0.7
263.01779	0.6
338.59955	0.7
373.44354	0.6
375.78845	0.6
436.98245	0.8
613.37451	23.6
631.38647	19.7
673.38989	22.1
702.33832	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01529	0.8
51.18988	0.8
52.24195	0.9
55.01884	1.4
57.03449	1.0
59.01381	100.0
66.26820	0.8
71.01379	31.3
73.02943	24.0
77.72393	1.0
83.01384	7.8
85.02943	9.3
87.00887	1.6
89.02431	23.0
95.01379	4.1
99.04494	1.4
101.02435	32.3
113.02440	35.1
119.03464	8.6
131.03540	1.2
143.03473	4.8
143.87431	1.0
149.04611	3.5
149.70093	1.0
161.04564	12.3
179.05591	5.6
204.04201	0.9
221.06668	1.7
230.51978	1.1
585.15503	1.2
601.43201	1.2
604.61633	1.3
613.37561	24.2
631.38672	18.0
673.39648	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	673.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
59.40500	0.5
64.95252	0.6
67.24634	0.6
71.01378	23.9
73.02940	24.6
79.71348	0.6
83.01365	5.4
85.02956	8.4
89.02436	18.2
92.44330	0.6
95.01384	2.7
97.02881	0.7
99.00883	1.1
101.02438	24.7
113.02444	23.2
119.03500	6.2
120.82061	0.8
125.02354	1.2
131.03528	2.6
143.03494	3.5
149.04549	3.6
161.04568	10.0
179.05594	3.6
221.06601	3.4
226.78462	0.8
451.32529	1.3
613.37531	32.9
631.38672	23.7
655.38696	0.9
673.39557	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	673.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48038	1.7
57.03451	2.3
59.01106	3.2
59.01384	72.3
63.40759	1.7
71.01360	14.1
71.91279	1.7
74.60578	1.9
85.02934	3.6
89.02448	19.4
101.02438	10.3
102.48740	2.2
113.02440	4.3
116.92805	2.2
119.03474	2.9
147.29523	1.9
179.05605	8.8
216.68164	2.0
227.28735	2.1
431.63702	2.7
433.30939	2.5
451.32285	4.2
613.37524	100.0
673.39661	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	673.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	90.8
57.51108	1.0
59.01101	2.3
59.01382	50.0
73.39365	0.9
81.03414	1.3
85.30294	1.3
88.14653	1.0
99.04510	100.0
101.02438	16.7
105.53457	1.0
125.02449	42.6
141.55063	1.2
143.03497	7.1
158.02383	1.3
186.34605	1.2
255.23331	48.5
343.64188	1.5
352.55197	1.2
361.66849	1.4
423.12186	1.3
468.62585	1.2
571.42432	1.6
673.45453	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	675.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.8
59.01381	13.9
61.58573	0.6
71.01383	6.4
71.70110	0.7
73.02915	0.7
85.02958	1.4
87.00906	0.7
89.02436	7.9
94.05768	0.7
97.02940	1.6
99.00883	1.0
101.02433	7.7
113.02414	3.8
119.03471	1.4
125.02419	2.7
161.04575	1.0
179.05641	1.0
235.08224	1.2
277.18988	0.7
277.21732	21.4
299.81552	0.8
309.40289	0.7
374.19031	0.7
397.13535	31.1
415.14502	7.4
459.36920	0.8
467.20880	5.8
493.18851	6.1
495.20639	6.1
501.18176	3.1
507.16916	1.4
511.15985	1.2
512.16937	7.6
521.18542	8.9
522.19196	4.1
523.20044	3.5
525.21368	3.5
525.29193	0.7
526.99048	0.9
535.16876	1.5
536.17072	3.1
538.18988	1.1
539.19531	6.8
549.17865	27.6
550.19006	6.1
551.19623	4.7
553.20990	1.4
554.21497	3.7
555.22278	1.6
571.18823	1.1
573.19733	3.8
581.20453	3.7
586.20880	0.9
598.20990	4.5
675.23224	100.0
675.33698	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	675.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.8
59.01382	21.4
65.02215	0.9
71.01383	9.7
73.02937	2.1
78.86819	0.9
83.01356	1.2
85.02940	1.9
89.02434	11.2
95.01337	0.9
99.04523	3.5
101.02434	12.3
113.02441	7.8
116.92847	1.5
119.03500	2.0
125.02433	2.4
133.05133	1.7
143.03444	2.1
161.04576	4.7
169.65251	1.1
183.42403	1.2
235.08246	5.9
245.93732	1.0
253.09235	1.3
277.21719	29.7
377.53333	1.1
397.13531	23.3
415.14578	13.2
467.21185	5.3
468.17334	1.7
469.17575	2.3
471.35019	1.8
480.18240	1.9
495.20273	5.7
497.16946	1.2
511.16754	1.9
512.17139	13.0
521.18201	1.6
522.19421	1.3
523.19574	2.1
524.16113	1.8
525.16302	2.2
528.19525	4.0
529.19409	1.5
535.16339	6.1
539.18848	1.8
543.21057	4.6
549.17822	25.4
550.19232	1.5
554.19025	1.7
560.17877	4.5
584.17657	5.4
615.39032	2.3
642.19409	1.4
675.22913	100.0
675.35858	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	675.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	0.7
59.01383	39.3
60.41352	0.7
69.03448	0.7
71.01376	26.2
73.02937	5.2
73.77605	0.7
79.68153	0.8
81.03468	1.3
83.01395	3.2
85.02940	6.3
87.00855	6.0
89.02440	32.4
95.01368	1.4
97.02949	5.4
99.00878	0.8
101.02444	25.2
113.02434	13.2
115.03990	0.9
119.03482	6.4
125.02453	11.8
131.03470	0.8
133.64247	0.7
139.03978	1.2
143.03496	3.3
161.04573	4.2
179.05614	3.5
221.06718	1.8
235.08229	7.3
253.09337	1.7
277.21747	92.0
281.34045	0.8
287.07745	4.5
305.08740	3.7
361.91653	0.9
397.13556	100.0
415.09354	1.6
415.14618	30.0
620.12085	0.8
675.36005	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	675.3605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63785	0.5
58.00587	0.9
59.01381	35.0
63.66120	0.6
66.08401	0.6
69.03474	0.8
69.66163	0.6
71.01009	1.1
71.01379	21.1
73.02947	4.4
75.00837	0.8
78.95899	3.2
83.01379	3.8
83.32228	0.6
85.02948	4.5
87.00878	4.6
89.02441	30.6
95.01367	1.4
97.02936	5.4
99.00848	1.3
101.02433	24.7
112.50315	0.7
113.02444	10.3
117.81833	0.6
119.03488	7.5
119.04211	0.8
125.02444	7.6
131.03502	0.9
141.01920	0.7
141.74866	0.8
143.03490	2.6
152.99620	3.6
161.04564	4.7
179.05629	1.6
221.06702	1.4
234.86281	0.8
235.08293	8.2
247.36620	0.7
253.09259	1.6
277.21744	84.8
287.07669	1.6
305.08835	2.6
308.19977	0.8
379.70819	0.7
397.13547	100.0
415.14578	33.5
675.35779	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	675.3612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	7.0
57.52680	0.7
59.01383	49.9
68.99794	0.8
69.03450	1.3
71.01378	29.4
73.02935	9.2
78.95885	1.1
81.03442	1.5
83.01402	3.3
84.76511	0.7
85.02947	9.0
87.00865	15.0
89.02441	42.4
89.54272	0.8
92.96902	0.9
95.01391	1.5
95.86362	0.8
97.02960	6.2
99.00869	1.4
99.04500	5.3
101.02440	36.6
103.00404	1.0
110.63584	0.9
111.35844	0.9
113.02451	24.2
114.02002	0.8
115.03971	1.1
116.92863	1.3
119.03480	11.2
124.01719	1.1
125.02448	14.7
140.15158	0.9
143.03493	6.2
153.22878	0.9
161.04533	6.2
171.02824	1.1
179.05605	10.2
203.05568	1.2
221.06621	1.6
229.79688	0.8
235.08234	11.2
251.16225	0.9
253.09244	5.6
253.82167	0.8
263.07660	1.5
277.21759	100.0
287.07681	3.9
305.08795	6.2
358.50232	0.8
397.13556	88.4
415.14572	43.9
427.35767	5.0
471.34729	6.6
513.16962	4.1
515.18396	4.8
529.20166	1.1
569.19708	1.0
600.21832	0.9
601.22394	1.0
615.23615	4.9
615.38812	3.4
675.25659	29.0
675.38788	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	675.4113
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54430	1.4
57.03434	3.8
58.00585	1.6
58.49628	1.4
59.01381	100.0
63.74505	1.4
71.01379	43.7
73.02941	1.7
75.53902	1.4
85.02943	7.8
87.00877	3.5
89.02435	74.7
99.04486	11.5
101.02437	38.1
113.02419	28.6
116.92859	2.0
119.03494	30.2
125.02422	9.1
143.03479	7.8
161.04541	8.4
179.05635	29.7
186.73750	2.1
244.65401	1.8
263.60080	1.5
277.21637	14.1
397.13486	14.0
415.14432	3.2
424.84515	1.8
427.35748	20.3
455.74588	2.1
471.34918	21.1
513.16840	2.5
573.47632	2.0
615.23096	2.5
615.38739	3.0
675.26489	11.6
675.41418	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	675.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10591	0.4
55.01864	0.5
57.03454	4.9
59.01382	29.2
61.09841	0.5
66.27546	0.5
71.01376	16.0
73.02949	6.1
75.37158	0.6
78.65239	0.6
83.01385	1.0
84.88013	0.6
85.02945	9.8
87.00858	0.6
89.02427	2.9
95.01378	0.8
99.00871	2.3
99.04520	2.6
101.02431	17.8
108.04554	0.8
113.02444	10.7
114.99322	0.6
116.97202	0.8
118.25511	0.5
119.03561	0.7
125.02425	3.2
127.26350	0.6
139.33588	0.6
143.03528	1.2
159.02940	0.7
161.04558	4.0
162.99867	0.5
217.58055	0.6
301.11981	3.1
329.81183	0.6
427.35840	22.7
471.34863	4.3
478.17889	0.7
490.76422	0.7
511.37994	1.2
571.40320	4.0
589.41248	3.8
615.39111	7.0
629.36719	0.8
631.11774	0.7
633.40125	9.8
675.27924	3.0
675.41248	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.412
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47331	1.2
52.27935	1.2
57.02218	1.3
59.01381	100.0
59.60699	1.5
67.07861	1.3
71.01382	49.0
73.02939	25.1
76.79906	1.5
83.01374	7.1
85.02943	26.0
89.02444	15.8
95.01375	7.8
99.00905	2.1
101.02444	27.7
113.02443	52.1
113.61444	1.4
115.48724	1.3
119.03476	6.8
131.03490	1.8
143.03470	2.3
161.04584	15.3
221.06631	2.1
221.50276	1.5
317.06125	1.6
615.39166	18.9
633.40405	19.0
675.41284	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	675.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69577	0.7
53.96181	0.7
55.39167	0.7
57.03444	3.2
58.56403	0.7
59.01384	100.0
61.39344	0.7
66.55121	0.8
71.01370	5.7
73.02961	1.6
83.01387	1.4
85.02926	3.2
89.02431	2.0
92.22442	1.7
96.24770	0.8
99.00911	0.9
99.04500	5.6
101.02434	8.8
112.42467	0.9
113.02434	4.8
119.03498	0.9
125.02434	3.4
130.30479	1.1
153.91447	1.0
161.04588	1.1
218.39371	0.8
264.18640	0.8
435.32764	1.2
453.33841	1.7
581.70160	1.2
597.37836	6.9
615.39063	72.5
633.39563	1.3
643.24512	0.9
675.28729	1.4
675.41193	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	675.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77071	0.7
57.03431	3.7
59.01381	100.0
61.12140	0.8
71.01368	14.2
72.23918	0.9
73.02943	8.0
77.72762	0.7
83.01395	3.1
83.04373	0.7
85.02947	8.7
85.13395	0.7
89.02441	8.0
94.68391	0.8
95.01402	0.8
99.04500	3.5
101.02436	15.9
113.02436	14.1
119.03439	1.1
125.02441	1.6
161.04556	4.3
166.05972	0.8
251.32130	0.9
256.24210	0.8
259.75397	0.9
316.11591	1.2
407.47647	0.9
441.33685	6.4
509.86331	1.0
512.52588	0.9
585.38361	3.0
615.29626	1.0
615.39014	38.1
633.40344	11.5
675.41235	60.1
686.82312	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	5.4
59.01382	100.0
64.74947	0.5
71.01373	4.6
73.02969	0.9
78.84492	0.6
82.82728	0.6
85.02936	2.6
89.02350	0.7
99.00897	0.6
99.04523	6.4
101.02443	3.5
113.02432	2.5
125.02438	4.6
131.58028	0.8
132.47610	0.7
162.95215	0.7
164.06128	0.7
185.52844	0.7
260.43622	0.7
471.34265	1.1
505.15808	0.8
513.34302	1.0
531.35364	1.3
633.40216	3.5
675.40924	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	677.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52774	1.4
55.88277	1.6
57.03440	3.1
59.01382	26.9
59.25935	1.4
71.01380	2.2
79.46404	1.7
82.71369	1.4
84.83365	1.8
85.02960	2.1
89.02467	2.9
99.04508	7.1
101.02442	9.6
103.84198	1.8
107.35406	1.8
112.17796	1.7
113.02457	2.3
119.03436	1.7
173.50519	1.7
198.31442	1.6
204.73677	2.0
224.55969	1.7
279.23404	2.6
308.31744	1.8
397.13489	7.9
426.17224	3.1
428.77341	2.0
439.14401	2.5
442.16644	11.8
454.16571	33.0
455.17337	18.9
457.19528	39.7
469.18933	57.8
472.17551	61.6
474.15387	14.7
486.14960	18.2
487.12927	3.3
487.19943	100.0
490.18539	2.3
500.17261	3.0
501.14374	11.2
504.16650	48.6
516.16736	9.7
531.18848	44.7
553.17572	7.7
555.19025	3.4
585.20068	8.1
606.32953	2.0
617.22760	42.6
617.40381	19.6
647.28650	2.1
677.24927	3.3
677.42950	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	677.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	26.8
59.01379	35.8
67.34782	1.2
71.01384	9.8
73.02933	1.7
82.16614	1.2
83.01400	1.9
85.02953	5.5
99.00857	1.6
99.04516	7.9
101.02436	9.7
113.02441	2.9
118.14034	1.4
122.89819	1.6
125.02434	9.6
157.00034	1.4
158.43130	1.6
181.98932	1.7
193.15276	1.5
285.17865	2.5
285.20764	37.6
292.32425	1.6
333.54599	1.7
381.35019	1.8
429.24942	36.0
447.26071	64.0
455.29358	1.5
489.27081	100.0
531.28076	37.8
535.35840	1.5
580.72205	1.6
593.92297	1.6
633.31305	20.7
640.28705	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	677.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	26.8
59.01379	35.8
67.34782	1.2
71.01384	9.8
73.02933	1.7
82.16614	1.2
83.01400	1.9
85.02953	5.5
99.00857	1.6
99.04516	7.9
101.02436	9.7
113.02441	2.9
118.14034	1.4
122.89819	1.6
125.02434	9.6
157.00034	1.4
158.43130	1.6
181.98932	1.7
193.15276	1.5
285.17865	2.5
285.20764	37.6
292.32425	1.6
333.54599	1.7
381.35019	1.8
429.24942	36.0
447.26071	64.0
455.29358	1.5
489.27081	100.0
531.28076	37.8
535.35840	1.5
580.72205	1.6
593.92297	1.6
633.31305	20.7
640.28705	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	677.376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92646	0.5
59.01382	28.4
59.81491	0.7
60.88013	0.6
71.01379	18.4
73.02948	3.1
78.95889	1.3
83.01413	2.7
85.02944	4.2
87.00866	4.3
89.02440	25.9
89.02962	1.3
91.90555	0.6
95.01396	1.1
97.02959	3.8
99.00867	0.9
101.02441	21.0
103.72203	0.6
105.26186	0.6
111.04490	0.8
113.02438	11.7
116.92773	1.0
119.03477	4.7
125.02416	8.0
133.05096	0.7
139.22902	0.6
143.03522	1.5
152.99669	1.2
161.04562	4.5
169.05037	0.7
171.00536	0.7
179.05608	3.1
221.06628	1.3
235.08221	7.1
253.09221	2.9
279.23322	100.0
287.07886	2.5
305.08807	1.5
313.77371	0.7
397.13547	91.2
415.14667	24.3
677.17047	0.8
677.37250	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	677.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06956	0.6
59.01379	33.2
60.66687	0.5
68.52167	0.5
71.01372	16.3
73.02940	3.5
73.04083	0.6
83.01386	3.6
85.02946	3.3
87.00867	4.0
89.02430	27.9
94.57574	0.5
95.01373	0.9
97.02943	3.2
99.00877	1.4
101.02431	21.4
109.02925	0.6
111.00864	0.6
113.02440	10.1
115.03944	0.8
119.03473	6.0
122.27592	0.6
125.02447	6.7
133.05034	0.8
141.01958	1.0
143.03517	2.3
161.04555	5.8
172.81116	0.6
179.05580	1.4
189.02679	0.6
203.92313	0.6
217.07237	0.6
221.06610	0.8
235.08247	6.1
253.09332	1.5
279.23294	100.0
287.07657	1.3
305.08759	2.5
323.09625	0.9
338.77731	0.6
397.13513	95.7
405.70627	0.7
415.14633	27.7
470.54507	0.8
494.95004	0.7
537.78729	0.7
677.16705	1.1
677.37439	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	677.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58866	0.9
57.03453	2.3
59.01383	27.0
69.55368	0.8
71.01357	1.6
73.02918	1.4
85.02940	2.1
94.39417	1.0
97.06540	1.2
99.04500	2.0
101.02450	1.5
110.58590	1.0
113.02413	1.3
125.02484	1.7
137.09766	1.6
164.24019	1.0
165.12886	4.6
171.10265	6.3
183.13885	1.5
191.90674	0.9
193.08455	8.9
197.11794	0.9
205.12088	1.8
207.10025	17.0
209.11903	1.5
211.13438	21.7
219.10022	3.9
221.11674	12.1
229.14478	16.3
231.09962	7.4
233.11583	100.0
243.10106	4.0
247.09608	1.3
247.28975	1.1
248.10306	2.2
249.11115	16.1
251.12978	14.1
261.11087	17.0
290.01096	1.0
291.19662	4.2
313.17960	5.1
327.21799	54.7
331.19037	5.0
349.19992	63.3
395.02396	1.1
465.65045	1.1
633.34851	2.0
635.38574	1.3
677.24945	4.3
677.42334	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	677.4253
Annotation	FR207944
Peak:m/z	Relative Intensity
58.16764	0.3
59.01381	0.4
62.20875	0.3
68.29803	0.3
70.62283	0.4
79.45461	0.3
80.02709	0.6
80.81750	0.3
83.05047	0.6
84.02201	0.9
94.11342	0.3
129.09227	6.6
141.09222	2.9
156.98492	0.4
163.11346	2.0
165.12933	0.8
185.11830	13.3
193.12166	1.5
197.10057	0.6
197.11830	10.9
197.13524	0.6
203.10617	2.2
205.12146	1.5
207.10074	1.7
209.11844	26.4
219.09990	2.8
221.11620	9.3
227.12881	1.5
231.10020	36.6
247.09473	2.8
247.20677	0.6
249.11153	100.0
291.19662	3.4
309.20892	2.0
327.21796	28.1
349.19861	2.3
368.02875	0.4
382.42242	0.4
386.98206	0.4
477.23526	1.5
577.33063	1.8
677.42566	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	677.4297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	6.1
59.01382	100.0
60.01695	0.7
61.01821	0.6
64.86765	0.7
69.03493	0.6
71.01380	19.3
73.02936	5.2
83.01385	3.2
84.28989	0.7
84.56657	0.7
85.02956	8.5
87.00865	1.7
88.21002	0.7
89.02443	16.8
90.02773	1.4
95.01406	1.0
96.31999	0.8
97.02935	1.2
99.00864	1.1
99.04525	3.7
100.45879	0.8
101.02441	18.4
113.02448	13.1
116.92848	5.7
117.23711	0.7
119.03489	5.1
125.02460	6.0
126.02819	0.8
143.03468	1.5
148.98058	0.7
161.04530	2.9
168.38162	0.7
179.05588	1.6
184.16730	0.7
235.08347	1.4
261.28699	0.7
277.21719	15.2
278.22092	12.3
279.22412	8.2
390.22955	0.7
397.13599	9.1
398.13840	16.1
399.14044	15.6
415.14752	1.7
416.15009	4.4
417.15067	4.0
473.36600	16.3
473.43292	1.3
617.40643	42.3
635.41785	21.5
645.25940	1.1
677.26990	4.4
677.42645	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	677.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	0.7
59.01383	100.0
64.88101	0.4
65.83361	0.4
66.40910	0.6
71.01378	7.1
73.02964	2.2
83.01420	0.5
85.02960	3.6
89.02454	0.8
89.46531	0.5
99.04514	0.8
101.02433	5.2
113.02469	2.7
124.61700	0.5
161.04527	1.0
161.26956	0.5
228.67764	0.5
275.31677	0.5
363.43915	0.5
474.05270	0.5
617.40381	2.0
635.41718	5.1
671.99811	0.7
677.42737	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	677.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92678	1.2
57.42509	1.1
58.65201	1.0
59.01383	100.0
61.11660	1.1
67.05733	1.1
80.42493	1.1
85.02921	1.3
92.22705	2.7
98.70226	1.3
100.89644	1.2
101.02422	2.0
113.02430	1.5
125.47383	1.2
250.91924	1.4
390.02365	1.4
522.13739	1.4
677.42358	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	677.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.0
59.01383	100.0
60.50620	0.5
71.01379	6.4
72.56723	0.5
73.02952	2.6
76.74866	0.5
81.72491	0.5
83.01382	0.6
85.02914	3.8
89.02467	0.8
99.00853	1.0
99.04548	2.0
101.02433	6.9
113.02438	3.9
116.92885	1.2
125.02394	0.7
132.27399	0.5
132.89322	0.6
142.54359	0.6
161.04576	2.1
172.11932	0.5
277.21762	0.7
308.89731	0.6
366.94641	0.5
418.98572	0.5
617.40942	2.9
635.41901	6.5
677.43018	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	677.4278
Annotation	FR207944
Peak:m/z	Relative Intensity
52.69473	0.4
53.28735	0.4
56.71831	0.4
56.86276	0.4
57.03438	1.1
58.00582	1.3
58.56681	0.4
59.01383	100.0
61.98842	0.5
71.01378	48.4
72.99306	2.4
73.02941	1.3
83.01389	2.2
85.02944	8.8
87.00890	1.0
89.02439	85.4
95.01404	3.8
101.02443	29.2
110.38682	0.5
113.02448	25.0
117.34927	0.6
119.03495	32.2
126.93650	0.6
131.03503	1.3
143.03510	6.5
149.04523	2.8
149.71765	0.5
161.04510	6.3
179.05624	34.9
205.35541	0.5
209.97815	0.5
245.55118	0.5
261.94568	0.6
281.50195	0.5
369.89081	0.5
617.40259	1.0
677.42798	72.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81316	0.7
54.66005	0.7
56.90582	0.7
58.79440	1.0
59.01381	100.0
60.85030	1.0
68.99199	0.9
71.01373	7.4
73.02946	1.8
84.52049	0.9
85.02962	3.9
89.02445	5.2
101.02451	7.1
105.63320	0.9
110.69096	0.8
113.02444	4.4
119.03455	1.5
129.17043	0.9
179.05608	1.9
194.64047	0.9
223.28310	0.9
276.78439	0.9
282.80511	0.9
430.94235	1.1
455.35388	2.3
617.40680	56.8
677.42883	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	677.4277
Annotation	Cumingianoside F
Peak:m/z	Relative Intensity
51.32581	0.6
59.01383	100.0
66.89843	0.7
71.01376	18.4
72.99325	0.9
73.02945	14.9
75.22433	0.8
83.01382	3.8
85.02948	6.4
87.00892	0.9
87.11036	0.6
89.02439	17.7
95.01410	1.6
99.00893	0.7
101.02441	22.1
113.02438	18.6
119.03475	5.7
131.03487	0.8
143.03506	3.2
149.04572	2.9
152.70316	0.7
161.04567	9.1
161.66225	0.9
167.32458	0.7
179.05647	3.2
190.17101	0.7
221.06616	2.8
272.70294	0.7
311.82266	0.8
330.10593	0.8
389.25748	0.8
461.79166	0.8
473.51706	1.0
617.40649	16.5
635.41772	18.7
677.43018	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	677.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52709	0.7
56.09568	0.9
57.03445	3.4
59.01381	100.0
67.99645	0.9
71.01374	15.0
72.21918	0.8
73.02924	1.1
85.02939	1.7
89.02438	22.1
90.04008	0.9
99.00905	1.1
99.04519	7.1
100.83575	0.9
101.02440	13.2
112.20547	1.0
113.02442	7.4
119.03465	9.5
125.02404	3.8
131.03560	1.3
143.03450	1.6
152.87878	0.9
161.04556	1.9
173.47115	0.9
179.05630	13.5
334.05551	0.9
358.10965	1.0
492.00400	1.1
589.67896	0.8
617.40582	62.2
673.29620	1.0
677.42944	23.3
705.50745	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.427
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97336	2.6
55.24559	2.8
55.25818	3.3
59.01378	100.0
60.06374	2.9
65.42411	3.9
65.71674	3.4
70.36374	3.2
71.01377	14.5
89.02425	27.0
101.02411	13.3
113.02464	16.8
119.03499	6.7
119.59895	3.4
138.97841	3.8
171.10342	4.0
179.05518	15.0
199.49060	4.4
216.35768	3.9
293.21152	5.3
449.46768	4.1
466.59503	3.7
484.31165	4.5
617.40344	92.6
677.42773	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	677.4255
Annotation	FR207944
Peak:m/z	Relative Intensity
50.70425	0.9
50.78970	1.0
51.07436	0.9
54.14118	1.4
57.54782	1.1
59.01370	2.4
60.50637	0.9
63.08097	0.9
80.61260	1.0
83.87086	1.0
84.02164	1.6
152.92139	1.2
183.13936	1.6
197.11800	1.2
200.33661	1.3
205.12096	1.2
209.11850	23.3
211.13341	2.0
219.10016	2.3
221.11626	8.2
229.14442	1.9
231.10001	29.4
233.11685	8.7
247.09482	1.6
249.11115	100.0
251.11436	1.4
307.19150	2.5
311.18250	1.2
325.20175	16.2
329.23361	6.7
347.18353	1.6
351.21475	1.5
677.42651	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	677.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39082	0.3
59.01384	100.0
67.34695	0.3
71.01376	8.0
73.02955	2.1
74.94408	0.3
83.01386	1.5
85.02938	4.5
87.00884	0.3
87.64796	0.3
89.02431	0.7
95.01399	0.7
99.00859	0.6
101.02434	7.0
113.02460	4.3
119.03445	0.4
125.02432	0.3
161.04593	1.5
181.83202	0.3
199.01547	0.4
379.04861	0.4
473.36691	0.4
617.40564	1.9
635.41602	6.8
677.42761	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	677.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01979	0.4
53.24870	0.4
57.03458	0.5
59.01384	100.0
60.06329	0.3
60.21195	0.4
61.80778	0.4
62.86095	0.4
63.86582	0.4
71.01396	5.2
73.02962	2.2
85.02945	2.6
99.00919	0.6
101.02422	4.8
113.02456	2.6
161.04588	1.8
186.72681	0.5
301.97385	0.5
635.41650	7.2
677.43317	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	677.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14765	1.2
57.03453	3.4
59.01382	100.0
59.91938	1.3
71.01382	33.2
73.02927	2.0
83.01398	2.9
85.02960	7.9
85.41199	1.4
89.02443	48.1
93.35592	1.6
96.18090	1.4
101.02440	26.9
113.02435	17.0
115.27940	1.5
119.03483	19.6
125.02435	7.1
143.03514	2.3
161.04582	2.5
161.87740	1.4
170.25407	1.7
179.05627	17.2
235.08315	1.8
279.23297	43.5
368.02066	1.6
397.13525	41.5
405.02969	1.7
415.14673	11.1
617.40662	86.9
677.41919	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	677.428
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19308	0.6
54.11827	0.8
57.03450	1.8
59.01385	100.0
71.01384	10.4
71.61303	0.6
71.61723	0.7
73.02936	1.8
85.02941	4.9
89.02446	6.6
90.23820	0.8
99.04516	3.7
101.02449	9.5
113.02442	4.1
116.92896	1.1
119.03499	1.4
125.02475	1.1
131.94016	0.8
136.16316	0.8
146.69386	0.9
147.83046	0.8
161.04533	1.3
179.05627	3.0
330.17096	0.8
398.13840	1.1
469.21112	0.9
551.17712	4.7
617.40729	51.6
677.24036	14.4
677.42822	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	677.428
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39897	0.6
59.01381	100.0
68.09777	0.8
71.01378	10.7
73.02943	4.7
81.72050	0.8
85.02948	5.7
89.02435	7.7
95.01411	1.2
101.02422	7.3
113.02425	8.7
119.03506	1.5
157.71132	0.9
161.04584	1.7
617.40674	35.8
635.41919	15.8
677.42780	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	677.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97602	0.5
55.20356	0.6
57.03455	1.3
59.01382	100.0
62.30090	0.7
71.01373	16.3
85.02946	3.5
87.00843	1.2
89.02438	33.6
96.96081	0.9
99.04488	1.4
101.02441	14.5
102.42725	0.7
113.02433	10.8
119.03487	12.1
125.02382	1.3
143.03528	1.7
155.00502	0.7
161.04541	4.0
179.05591	26.9
189.33316	0.8
205.42892	0.8
287.20389	0.8
617.40643	66.9
634.40570	4.3
677.42542	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	677.4643
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41749	0.7
59.01373	1.9
71.05014	20.3
72.65226	0.8
77.02731	0.9
78.95924	1.1
94.23152	1.1
97.06577	5.7
99.94326	0.9
140.03941	1.0
140.52618	1.0
145.45647	0.9
152.99623	2.2
164.76100	0.9
175.14919	1.3
181.12381	4.5
195.13800	1.0
201.35513	1.1
207.13902	5.5
209.11908	4.1
215.26570	1.0
219.13940	4.9
235.16898	6.9
247.20718	3.8
273.18689	1.4
291.19702	100.0
309.20691	4.9
356.27454	1.1
442.49197	1.0
580.21002	1.1
678.13135	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4641
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67767	1.5
59.01382	100.0
93.79227	2.0
95.86870	2.1
102.67152	1.7
115.19585	1.6
121.46845	1.8
128.63068	1.8
182.23903	2.2
331.73569	2.1
459.24655	2.0
466.85165	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	678.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	7.2
59.01139	6.1
59.01389	100.0
71.01390	7.9
73.02912	5.9
74.57442	4.7
89.02450	8.6
92.23140	8.6
99.04501	7.4
101.02460	7.4
103.28864	4.8
108.49545	5.2
113.02400	11.2
125.31921	4.4
130.08714	7.1
141.61520	5.8
196.80527	5.0
211.30484	5.7
268.12363	5.4
322.20575	6.8
618.41199	38.7
635.41888	7.7
636.41870	7.2
678.32074	7.3
678.42749	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	679.1519
Annotation	Palargonidin 3-(6''-malonylsophoroside)
Peak:m/z	Relative Intensity
53.05902	0.2
65.94560	0.3
67.74822	0.3
69.94099	0.3
74.71984	0.3
75.35364	0.2
77.29661	0.2
111.17717	0.3
165.01976	2.3
227.03377	0.4
255.03036	7.2
256.03815	1.1
269.04587	1.2
271.06094	2.3
283.02493	100.0
284.03268	5.0
298.04840	97.9
299.05618	12.0
313.03763	0.6
315.58981	0.3
355.54202	0.3
453.30258	0.3
575.14203	0.7
593.15405	0.6
635.16248	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	679.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42128	0.7
53.26743	0.8
53.61231	0.7
59.01377	0.9
69.33463	0.7
110.00081	1.1
125.29893	1.0
157.43745	0.9
214.15944	0.8
227.03468	3.4
243.06534	1.6
255.03026	7.8
256.03754	3.6
271.06161	3.3
271.92172	0.8
283.02512	28.4
284.03275	44.6
298.04868	27.0
299.05634	100.0
380.79028	1.0
635.16290	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	679.1524
Annotation	Kaempferol 3-(6G-malonylneohesperidoside)
Peak:m/z	Relative Intensity
62.92733	0.2
63.98923	0.2
86.17508	0.2
107.01405	0.3
151.00410	1.8
178.99902	0.4
227.03525	8.7
229.05141	0.3
255.03006	29.4
256.03821	5.1
257.04581	0.5
260.76425	0.3
283.02600	0.9
284.03290	100.0
285.04028	5.7
285.07004	0.3
327.05127	0.3
359.60443	0.3
635.16260	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	679.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.6
63.97529	0.4
74.02476	1.8
78.95908	3.6
89.02382	0.5
101.02438	0.5
101.50719	0.5
110.03603	2.2
110.98524	5.9
111.01997	100.0
118.05126	0.4
125.61783	0.4
134.04713	0.6
135.22202	0.4
141.92535	0.4
169.69681	0.6
175.07253	0.6
192.99071	0.7
200.34317	0.4
225.01743	12.0
336.06183	1.8
337.04437	50.4
467.68506	0.4
503.16226	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.0
59.01196	0.4
59.01384	5.7
68.95567	0.5
71.01385	4.7
73.02940	0.8
74.02471	1.0
75.00865	4.4
85.02936	4.6
87.00867	3.3
89.02441	2.1
95.01392	0.7
99.00861	1.4
101.02436	1.4
110.37810	0.5
113.02427	5.2
116.03555	0.9
119.05016	54.9
129.01939	1.2
134.03722	2.9
145.02940	3.5
149.06105	0.8
150.05627	0.9
160.01686	10.0
161.02414	5.0
163.04005	100.0
175.03996	52.6
175.05557	0.9
175.06302	0.7
177.04022	7.7
177.05568	3.2
179.03496	0.8
193.05055	10.5
203.08261	3.6
203.09976	0.7
205.12372	0.6
229.09755	2.2
230.11877	1.1
245.09351	7.7
247.51466	0.6
249.06157	3.9
267.07220	6.6
273.12436	1.3
289.80905	0.6
295.71994	0.7
317.11307	0.8
323.07571	1.2
335.12576	6.8
337.09378	7.4
391.01855	0.6
458.92715	0.7
501.14081	51.8
517.19006	3.7
679.17554	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	679.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18373	1.0
57.03458	1.6
57.88324	1.1
59.01381	27.9
59.31983	1.0
61.48699	1.0
68.99839	1.4
71.01375	27.1
72.99299	1.4
73.02953	1.3
73.62676	0.9
75.00856	14.1
81.70170	1.1
82.59084	1.1
83.01393	1.2
85.02949	15.6
87.00872	8.5
89.02438	16.2
91.69229	1.3
92.22508	2.3
93.04194	1.3
95.01390	5.2
99.00875	19.6
101.02448	4.6
113.02439	33.6
117.01937	2.7
119.03500	1.3
119.05008	17.9
129.01964	10.2
131.03479	1.7
134.03732	1.8
135.04532	2.5
136.07701	1.5
145.02930	4.8
148.84612	1.3
149.04457	1.2
149.06082	1.7
161.02455	2.9
161.06035	5.1
161.13347	6.4
163.04013	41.4
175.02557	1.9
175.03995	21.3
177.04085	8.6
179.03482	5.5
187.11302	5.9
189.04071	1.7
193.05057	5.3
205.05119	1.9
205.12383	10.5
230.11867	1.6
249.06210	14.3
267.07205	33.5
284.03137	1.6
323.07791	1.2
335.12512	6.3
337.09268	4.7
499.18234	6.0
501.14130	5.1
647.24115	1.9
679.24622	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	679.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.5
59.01378	5.4
64.05733	0.4
69.03452	0.4
69.58990	0.3
71.01375	11.8
72.38628	0.3
72.99293	0.8
75.00457	0.6
75.00864	11.1
77.53309	0.3
83.01360	0.5
85.02958	4.1
87.00864	3.4
89.02428	2.9
92.22567	0.4
97.02902	1.9
99.00877	13.5
101.02408	1.6
111.00846	0.9
113.02417	1.8
119.05010	18.4
119.46160	0.4
129.01944	12.1
129.02884	0.5
131.03491	3.2
133.06573	0.9
134.03696	2.9
135.04521	0.7
141.01909	1.7
145.02945	7.8
149.06055	0.9
159.03015	2.3
160.01637	2.6
161.02444	9.4
161.04849	0.6
161.06081	8.7
163.04007	36.0
175.03998	20.9
175.05086	0.4
177.02576	0.6
177.04018	14.5
177.05557	3.5
179.03470	3.0
187.03900	0.4
191.07169	0.5
193.05070	8.6
195.05106	8.2
203.07068	0.6
205.05098	4.4
217.05029	0.7
221.04480	1.5
265.07291	0.5
323.07715	3.4
337.09302	6.8
341.08646	0.7
501.14133	2.0
503.13925	2.0
612.99573	0.5
643.16589	2.0
679.18787	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28104	0.8
57.03445	4.0
59.01384	14.6
67.27266	0.8
69.03462	1.7
71.01377	18.8
72.99290	1.2
75.00867	9.1
85.02963	5.8
87.00874	3.5
89.02435	5.7
94.02976	1.1
97.02929	1.8
99.00873	21.5
108.04533	1.1
111.00851	1.5
113.02450	5.1
117.01928	1.2
119.05017	24.7
122.06094	7.4
124.04012	1.1
129.01938	13.1
131.03452	1.8
134.03743	1.0
134.06097	0.9
135.04456	1.3
136.04050	3.5
136.07655	8.5
137.02417	0.9
138.05630	3.5
145.02942	6.4
149.06033	1.1
150.05595	10.9
152.07187	1.5
156.01828	0.9
159.02948	1.1
160.01624	4.7
161.02451	4.0
161.06056	8.3
161.13431	1.1
163.04008	61.7
175.02588	1.3
175.04008	26.4
177.04056	12.7
177.05470	1.5
179.03522	1.4
193.05122	7.8
195.05119	3.9
201.06464	1.1
202.12473	1.3
205.05029	8.2
205.12263	1.1
228.10362	3.7
229.09805	15.4
230.11897	13.0
244.08411	1.1
245.09331	6.1
245.12950	1.1
245.15370	0.9
249.06097	1.5
255.11334	4.8
257.09293	8.6
258.10034	1.1
267.07291	3.4
273.12473	28.6
274.10956	1.6
275.10266	1.4
284.03262	3.8
313.75266	0.8
317.11508	10.7
323.07755	1.7
335.12531	63.1
337.09320	5.0
501.14130	4.3
517.19128	1.1
619.16241	1.2
635.15564	1.4
647.24341	1.3
661.17712	1.6
679.17737	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.2
57.78208	0.9
59.01372	2.7
71.01368	2.2
73.02945	1.1
83.01360	1.2
85.02938	1.3
86.38497	1.0
89.02430	1.1
99.04546	1.1
99.67070	1.1
101.02409	1.1
108.02142	12.4
109.02974	10.9
113.02422	5.2
129.34071	1.1
137.06090	2.3
139.07631	9.6
151.00328	1.6
152.01151	88.7
153.01918	2.8
163.03979	4.2
168.07779	1.3
175.03952	1.4
178.03059	1.4
187.11232	1.6
205.12325	9.5
227.32327	1.2
241.07202	2.5
255.03018	2.8
284.03247	10.1
291.49695	1.1
334.31024	1.2
368.00900	1.2
399.09387	23.4
417.10373	30.9
620.27100	1.1
635.16486	7.4
679.22571	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	679.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56013	1.2
50.84626	1.3
53.28925	1.3
53.69264	1.7
57.99331	2.0
58.02972	3.1
59.01378	22.7
59.98522	2.0
67.18508	1.4
71.01378	27.0
73.02936	17.1
74.02470	100.0
74.16767	1.5
82.10888	1.5
83.01393	3.6
85.02937	3.2
87.00889	2.5
89.02436	42.3
89.03571	11.6
94.08329	1.8
97.02936	8.5
99.00877	3.0
101.02441	38.9
103.53545	1.7
103.84173	1.5
110.03596	2.9
110.98596	2.5
111.01997	51.9
113.02444	20.6
118.05091	47.1
119.03491	15.2
131.03488	1.6
132.04124	12.1
133.14919	1.9
134.04721	1.8
143.03481	3.8
161.04564	36.3
175.04883	2.0
175.07188	59.4
175.08409	6.2
179.05640	19.3
221.06665	19.4
225.01643	3.5
230.83136	1.8
247.10176	1.6
281.08902	3.2
327.52298	1.6
337.04370	26.3
337.13248	7.7
341.10815	17.6
383.12296	11.4
425.12952	10.5
443.14236	3.2
474.95328	1.8
503.16187	60.8
581.99951	1.8
668.15723	2.0
679.23999	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	679.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30752	0.8
52.89951	0.7
53.42551	0.8
57.03449	1.0
59.01108	1.0
59.01384	20.5
61.75494	0.7
68.36017	0.8
68.56955	0.8
71.01376	12.1
75.00870	6.9
75.53445	0.8
83.01392	1.0
83.45569	0.7
83.94150	0.7
85.02937	10.8
87.00845	3.5
89.02439	12.4
93.45544	0.7
95.01392	1.9
99.00860	5.5
99.04545	1.4
101.02427	5.0
103.00348	1.3
113.02444	24.6
117.01919	1.4
122.06181	1.2
124.30166	0.9
125.35654	0.8
129.01917	1.2
131.03453	1.1
135.04500	3.8
136.07680	1.7
150.05539	2.0
161.09554	1.0
161.13356	5.8
163.04021	2.1
167.72020	0.9
175.02451	1.2
179.03481	4.5
187.11316	4.8
202.12285	1.1
205.12299	6.7
228.10359	1.3
229.09712	4.4
230.11903	2.1
245.09181	1.8
249.06139	15.5
249.11232	2.2
255.02959	3.7
257.09433	3.5
267.07227	25.4
273.12454	10.9
284.03296	14.2
307.59189	1.1
317.11292	1.6
335.12531	20.4
343.12906	1.0
499.18167	6.7
501.14047	1.1
516.46735	1.0
517.19415	1.7
635.16394	8.1
649.06738	1.0
679.24579	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00977	0.4
55.01861	0.4
57.03430	0.4
59.01381	18.2
62.83414	0.3
69.03462	0.4
71.01378	13.4
71.72972	0.4
72.99306	2.1
73.02943	0.9
75.00867	7.8
85.02946	11.9
87.00881	4.6
89.01945	0.7
89.02442	10.8
89.42252	0.5
91.03980	0.6
93.06003	0.5
95.01370	3.2
99.00874	4.9
99.04553	0.8
101.02431	3.6
103.00348	2.4
113.02443	32.5
115.00350	0.8
115.99759	0.4
117.01920	2.3
119.03474	0.7
122.06107	0.8
127.04102	0.4
129.01907	1.8
131.03499	1.0
133.01419	0.4
136.07660	1.6
149.04562	0.7
150.05602	0.9
152.07217	0.5
157.01390	1.0
161.13362	4.8
172.03857	0.5
175.02428	2.5
175.03893	0.6
187.11308	3.7
203.08359	0.7
205.07109	1.7
205.12360	5.2
207.05092	2.5
228.10217	0.6
229.09782	2.5
230.11798	2.7
245.09265	2.3
249.06166	8.2
249.11261	1.0
257.09314	0.5
267.07245	42.6
273.12491	4.2
317.11362	2.6
335.12543	13.5
353.71820	0.4
455.19278	0.6
499.18457	4.5
501.13474	0.4
503.77225	0.5
517.19238	0.6
679.24664	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	679.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72646	0.4
54.00401	0.4
57.03439	0.8
59.01381	20.1
66.29993	0.4
69.03489	0.6
71.01376	13.4
71.01737	0.9
72.99295	2.1
73.02967	0.8
75.00869	8.4
80.98622	0.4
83.01393	0.9
85.02948	13.3
87.00860	4.9
89.02439	11.3
93.03455	0.5
95.01380	4.0
96.95985	0.7
99.00877	6.3
99.04513	2.1
101.02435	4.6
103.00348	1.1
109.27760	0.5
113.02444	25.4
115.00356	1.2
117.01966	1.9
119.03477	2.9
129.01945	1.0
131.03488	0.7
131.51865	0.5
135.04536	1.0
137.02390	0.6
150.05614	0.9
156.35159	0.5
157.01424	0.6
161.13367	7.1
166.47215	0.5
167.07739	0.5
169.12276	0.6
175.02510	2.2
179.03531	0.7
187.11330	4.4
193.05031	2.0
205.12344	9.6
207.05174	1.0
226.96991	0.5
227.03474	0.8
229.09769	0.8
230.11911	1.1
231.05228	2.1
249.06184	16.4
249.11264	2.3
255.02937	3.3
256.03665	0.5
257.09396	0.6
267.07227	29.2
273.12592	3.8
284.03311	9.6
299.05780	0.9
317.11417	1.0
335.12561	10.3
455.19232	0.9
468.25427	0.7
499.18164	7.6
619.23071	0.7
635.16132	5.3
641.19757	0.8
679.24695	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56156	0.8
56.54500	0.8
59.01384	14.8
71.01369	5.8
72.99300	0.9
75.00861	5.1
85.02941	7.4
87.00845	1.5
89.02440	7.4
95.01366	1.4
99.00853	3.5
101.02434	1.5
103.00359	0.9
113.02452	17.1
122.06068	8.0
124.03970	1.2
129.01997	0.9
134.06049	0.9
136.04018	6.1
136.07660	11.8
136.55740	1.0
138.05579	4.0
150.05609	13.2
161.13353	5.8
186.09207	1.9
187.11205	4.0
190.24156	1.0
201.06621	1.7
202.08807	1.4
202.12350	1.7
205.12323	1.8
212.10771	2.1
228.10345	6.3
228.42458	1.0
229.09875	21.4
230.12015	16.1
245.09367	10.5
245.12930	1.4
249.06213	8.5
255.11356	7.4
257.09280	11.0
267.07254	18.1
273.12466	30.0
274.10834	0.9
275.10431	1.1
317.11472	12.8
335.12531	100.0
476.87262	1.0
499.17792	4.3
607.23907	1.3
619.24481	2.0
666.90039	1.1
679.24744	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	679.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71478	1.2
59.01385	17.1
71.01366	11.3
72.99328	1.5
74.02492	1.3
75.00869	3.1
78.75261	1.2
79.01468	1.5
81.29147	1.4
81.92938	1.4
85.02950	8.2
85.06581	2.2
87.00874	1.5
89.02430	19.8
99.00861	2.5
101.02444	9.3
113.02436	12.9
113.06155	2.2
118.67177	1.5
119.03487	6.1
119.05032	10.4
131.07132	51.1
134.03693	7.9
137.06093	34.2
149.06064	10.7
161.04620	1.3
163.04034	8.1
169.55763	1.5
175.03987	5.9
178.02739	1.9
179.05621	9.9
193.05063	18.9
233.04555	8.8
249.06198	2.4
293.12454	100.0
339.26981	1.7
341.12439	6.1
353.08762	6.5
357.50342	1.7
517.15631	1.7
679.20905	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	679.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00977	0.4
55.01861	0.4
57.03430	0.4
59.01381	18.2
62.83414	0.3
69.03462	0.4
71.01378	13.4
71.72972	0.4
72.99306	2.1
73.02943	0.9
75.00867	7.8
85.02946	11.9
87.00881	4.6
89.01945	0.7
89.02442	10.8
89.42252	0.5
91.03980	0.6
93.06003	0.5
95.01370	3.2
99.00874	4.9
99.04553	0.8
101.02431	3.6
103.00348	2.4
113.02443	32.5
115.00350	0.8
115.99759	0.4
117.01920	2.3
119.03474	0.7
122.06107	0.8
127.04102	0.4
129.01907	1.8
131.03499	1.0
133.01419	0.4
136.07660	1.6
149.04562	0.7
150.05602	0.9
152.07217	0.5
157.01390	1.0
161.13362	4.8
172.03857	0.5
175.02428	2.5
175.03893	0.6
187.11308	3.7
203.08359	0.7
205.07109	1.7
205.12360	5.2
207.05092	2.5
228.10217	0.6
229.09782	2.5
230.11798	2.7
245.09265	2.3
249.06166	8.2
249.11261	1.0
257.09314	0.5
267.07245	42.6
273.12491	4.2
317.11362	2.6
335.12543	13.5
353.71820	0.4
455.19278	0.6
499.18457	4.5
501.13474	0.4
503.77225	0.5
517.19238	0.6
679.24664	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	679.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05334	0.5
57.03449	1.1
59.01377	11.5
62.76743	0.5
62.83325	0.5
65.43668	0.5
71.01373	7.1
72.08781	0.5
72.99299	0.7
73.02947	0.8
75.00871	4.8
85.02951	6.3
87.00867	1.4
89.02435	4.2
94.02994	1.0
95.01368	0.8
98.02485	0.6
99.00862	3.9
99.49631	0.5
101.02438	1.1
113.02437	12.8
115.00377	0.6
119.05013	5.1
122.06099	10.5
125.38425	0.6
128.03510	0.7
129.01927	2.7
131.03491	0.5
135.04495	0.6
136.04013	4.7
136.07680	10.0
138.05617	3.2
144.98842	0.6
150.05600	12.2
152.07176	3.4
159.90352	0.6
161.02441	1.0
161.13289	0.9
163.04013	9.7
165.04001	0.7
174.09244	0.7
175.03951	4.6
186.09267	2.5
187.11272	1.3
193.05035	1.0
201.06641	1.1
202.12369	1.3
203.06024	1.1
205.12320	2.6
212.10774	1.1
215.08150	1.0
227.03471	1.1
228.10310	5.7
229.09827	20.3
230.11952	17.8
231.11293	0.8
244.08585	0.7
245.09302	10.1
245.13005	1.2
249.06104	6.0
255.02980	7.0
255.11388	6.9
256.10245	0.6
257.09290	10.7
258.10110	1.4
259.10776	1.2
267.07281	10.9
270.23361	0.6
272.11868	0.6
273.12457	33.8
274.10922	2.3
275.10358	4.4
281.08762	1.1
284.03281	22.0
290.12268	0.7
299.10565	0.9
317.11441	14.4
334.11716	0.9
335.12521	100.0
343.13065	2.2
399.85004	0.8
501.14120	2.5
517.19379	2.5
531.20758	1.2
610.00531	0.7
619.24237	3.1
635.15955	11.1
635.24579	1.0
636.76447	0.8
647.24176	0.6
679.25916	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	679.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27061	0.3
55.01865	0.4
57.03444	3.0
57.96841	0.3
59.01382	10.7
64.60205	0.3
66.15424	0.3
68.99791	0.4
69.03432	2.0
71.01376	14.3
72.99274	1.4
73.02931	1.9
75.00870	9.1
83.01385	0.8
83.05002	0.4
85.02939	6.4
87.00870	4.0
89.02435	4.3
94.02979	0.4
97.02908	1.9
99.00872	16.4
101.02396	1.6
108.04530	0.4
109.56540	0.3
111.00843	1.5
113.02394	2.1
115.03893	0.3
117.01862	0.3
119.05018	23.7
122.06100	4.7
123.52479	0.3
129.01936	14.2
131.03497	2.9
132.02107	0.4
133.06540	1.6
134.03769	2.2
135.04460	0.7
136.04045	2.3
136.07677	5.8
138.05591	2.3
141.01897	1.3
145.02942	5.6
149.06001	1.6
150.05614	5.7
152.07098	1.5
159.02966	2.6
160.01649	4.4
161.02405	4.7
161.06076	9.2
163.04008	56.7
168.06699	0.3
173.98125	0.4
175.04004	25.4
177.02634	0.6
177.04068	14.9
177.05548	1.8
179.03423	1.9
186.09158	0.6
191.07106	0.5
193.03406	0.4
193.05058	7.1
195.05135	3.0
201.06526	0.6
202.08759	0.4
202.12364	1.2
205.05087	5.7
212.10841	0.5
215.08029	0.5
215.85767	0.3
224.45789	0.3
228.10175	1.8
229.09796	9.8
230.11955	7.6
231.11501	0.6
235.06084	0.6
244.08362	0.4
245.09279	4.1
245.12962	0.8
246.11182	0.4
255.11372	2.2
256.09857	0.4
257.09335	4.7
258.09958	0.5
265.07202	0.8
267.07172	0.6
273.12451	17.1
274.10678	0.7
275.10214	2.0
284.03198	2.2
311.10129	0.6
317.11414	7.2
323.07617	2.0
335.12527	42.4
337.09348	4.3
343.13040	0.5
345.12024	0.4
458.64117	0.4
501.14127	6.9
503.14221	0.4
559.27570	1.4
577.28394	0.5
619.23608	0.6
635.15399	1.4
647.23981	0.6
661.17438	3.3
679.18384	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.266
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93598	0.7
59.01384	7.8
66.11453	0.8
71.01380	1.7
75.00832	1.4
85.02943	4.4
87.00866	1.9
89.02432	1.6
108.04575	0.8
113.02456	7.1
119.05022	2.1
122.06100	9.7
134.06134	1.2
136.04018	5.8
136.07681	9.4
138.05510	1.4
150.05597	14.3
152.07152	1.7
163.04001	4.2
176.03525	1.0
183.27959	1.0
186.09222	1.8
187.11270	1.0
201.06602	1.7
202.12428	2.2
203.05966	1.2
203.08218	1.9
212.10889	1.6
227.60199	1.0
228.10390	7.1
229.09874	20.7
230.12000	18.5
239.14638	1.0
245.09323	12.8
249.06107	1.2
255.11374	7.9
257.09351	13.7
258.10117	2.1
265.57339	1.1
267.07230	9.5
273.12454	32.4
274.10690	1.3
275.10370	1.9
317.11411	11.7
326.52988	0.9
335.12531	100.0
370.66650	1.0
415.10938	1.0
419.78516	1.0
473.10696	1.1
517.19244	3.8
521.80377	1.1
674.65540	1.1
679.25433	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	679.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82058	0.9
57.03453	24.5
57.09404	0.7
59.01098	1.7
59.01381	26.0
60.98633	0.8
62.95141	0.8
70.29385	0.8
71.01375	13.5
72.31915	0.9
73.02922	1.7
83.01418	1.1
85.02946	3.5
89.89030	1.1
96.96059	0.8
99.04527	7.5
100.12083	0.9
101.02433	9.0
106.67360	0.9
113.02419	3.5
124.01674	3.7
125.02442	7.1
133.61995	0.9
149.40906	1.0
149.42336	1.1
190.36809	0.9
190.61212	0.8
287.22302	34.8
301.23938	2.0
329.23331	1.5
330.81998	1.1
350.70932	1.0
350.86160	1.2
401.25339	1.0
418.30466	1.0
431.26541	43.9
441.69739	1.0
449.27618	61.3
473.27454	1.1
491.28662	100.0
533.29626	32.9
573.32910	2.2
627.99341	1.1
635.32904	30.4
679.32123	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	679.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38061	1.3
59.01386	52.4
62.41909	1.2
71.01380	26.7
73.02950	8.6
82.50410	1.5
83.01382	3.2
85.02956	14.1
87.00876	6.3
89.02450	35.5
89.16073	1.4
95.01385	2.7
99.00858	3.5
101.02433	27.9
104.57315	1.5
113.02453	29.5
115.64513	1.5
119.03511	18.7
125.02425	2.2
131.03516	15.2
143.03529	5.8
158.60739	1.7
158.62094	1.4
159.02960	2.1
161.04576	25.5
179.05644	21.0
203.05653	6.2
221.06644	24.2
245.06754	3.1
258.22903	1.6
263.07770	3.6
268.03778	3.2
278.99561	1.7
283.06198	29.4
343.22824	19.1
390.27783	2.3
395.40433	1.7
619.31335	31.2
637.32458	100.0
679.33319	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	679.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91840	1.1
59.01098	1.9
59.01381	34.4
61.98839	1.6
71.01372	17.3
73.02943	3.1
78.25242	1.3
82.32196	1.4
83.01401	1.5
85.02953	3.0
87.00842	2.2
89.01938	2.3
89.02440	30.5
92.22526	1.3
93.34259	1.3
97.02945	2.7
101.02425	18.2
113.02418	9.1
119.03511	7.9
121.79267	1.3
123.59465	1.2
125.02407	5.1
143.03546	1.7
161.04544	2.1
179.05644	1.9
235.08226	8.4
245.24173	1.4
281.24866	100.0
305.08704	2.9
316.43588	1.6
397.13501	82.3
415.14581	26.8
679.38696	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	679.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27854	0.7
56.06812	0.7
57.03450	1.7
59.01380	100.0
71.01375	5.0
73.02930	1.3
85.02969	1.7
89.02420	3.3
96.95981	1.6
99.04519	1.6
101.02447	5.1
106.55468	0.7
113.02461	1.4
136.04570	0.8
137.86923	0.8
160.55135	0.7
168.88750	0.8
228.29797	0.8
271.06265	1.0
283.02487	1.5
285.13760	0.8
287.22159	1.5
299.05557	2.9
321.20868	1.1
347.46259	0.8
357.23849	0.8
431.26450	1.8
449.27573	4.3
457.32880	0.9
491.28522	8.6
533.29419	2.9
575.34283	4.8
619.38300	6.8
635.36237	4.7
679.16534	0.9
679.40747	14.3
688.25452	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	7.5
59.01382	100.0
59.29786	1.4
61.36192	1.2
71.01379	22.2
73.02941	8.2
83.01388	6.6
85.02939	10.3
89.02431	7.0
89.07894	1.6
99.00867	2.5
99.04515	3.7
101.02438	16.9
107.05807	1.4
111.77911	1.5
113.02438	9.8
125.02424	2.0
161.04570	3.4
171.10318	1.7
185.39893	1.7
220.27594	1.8
283.02597	2.5
298.04913	2.1
303.20190	1.6
343.59958	1.6
499.10266	1.9
619.38593	95.0
633.40253	2.4
635.36456	2.6
679.40936	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	679.4433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.5
57.03439	1.6
59.01381	100.0
59.36462	0.4
64.18940	0.4
67.83107	0.4
71.01376	15.9
73.02944	8.4
75.00881	0.4
83.01386	3.1
85.02942	10.6
87.00900	0.5
87.04531	1.1
89.02420	0.8
95.01408	2.2
97.02955	0.6
99.00853	3.3
99.04509	0.5
101.02436	18.6
101.03083	1.0
113.02430	10.3
120.53036	0.5
125.02427	0.8
141.29601	0.4
143.03470	0.5
159.03064	0.8
161.04578	4.3
213.66925	0.6
391.43729	0.5
399.32861	5.4
459.34775	1.1
473.36581	1.0
475.38077	4.1
530.01941	0.5
575.34613	0.6
619.42255	16.9
635.37006	0.7
637.43274	19.5
679.44415	14.4
679.55109	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.6
59.01380	100.0
61.94236	0.7
62.48981	0.6
71.01373	8.2
73.02942	2.8
83.01376	1.6
85.02941	4.4
87.00867	0.9
89.02434	5.3
99.00895	1.0
101.02431	8.5
113.02438	4.3
116.81470	0.7
119.03448	0.9
143.03427	0.9
161.04541	3.3
208.38220	0.8
279.23254	4.7
280.23608	4.7
281.23874	3.7
314.45633	0.8
397.13687	3.0
398.13950	5.5
399.13956	3.1
417.15018	1.1
510.76126	0.7
619.42169	19.1
679.17780	1.0
679.44653	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	679.4433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05552	0.4
51.13047	0.3
51.53434	0.4
52.35377	0.4
52.85622	0.3
53.77523	0.4
55.01888	0.6
56.96936	0.4
59.01382	100.0
60.05322	0.4
60.31739	0.4
61.39170	0.4
62.94577	0.4
71.01376	4.8
71.41011	0.4
73.02943	3.3
83.01427	1.5
85.02946	3.5
95.01366	0.5
99.00867	0.6
101.02441	6.3
113.02436	4.4
129.96475	0.4
161.04567	3.9
270.08243	0.4
619.42212	20.7
679.44391	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	679.4438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.9
57.03439	2.1
59.01381	100.0
71.01373	18.0
73.02932	7.3
76.10186	0.6
83.01387	3.5
85.02942	10.9
87.00878	0.6
87.04491	2.5
89.02426	0.7
95.01351	1.1
97.02913	0.7
99.00880	3.9
99.04547	0.5
101.02441	21.3
110.57314	0.5
113.02444	13.2
125.02453	1.1
140.41315	0.5
143.03465	1.1
159.02959	1.2
161.04552	3.8
210.20358	0.5
219.27084	0.6
350.85025	0.6
399.32828	6.1
425.26086	0.6
438.47379	0.6
459.34705	1.2
473.36429	3.4
475.38177	6.0
504.70642	0.6
619.42218	26.1
619.52313	1.0
635.36554	0.6
637.43359	25.1
679.44263	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	679.4432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46933	1.0
53.98656	1.0
54.19022	0.9
59.01382	100.0
59.16511	1.0
61.04953	1.0
71.01379	21.8
72.66382	1.1
85.02946	1.8
86.35988	1.1
88.61846	1.1
89.02437	35.3
101.02437	12.4
103.93753	1.1
105.54921	1.3
113.02448	10.5
119.03475	12.6
159.42775	1.4
161.04575	5.6
165.14647	1.1
179.05621	19.9
300.05222	1.2
310.35706	1.6
404.86884	1.2
537.37335	1.4
571.73950	1.3
619.42236	74.7
679.44092	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	679.4434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32495	0.4
53.49893	0.4
55.08360	0.5
59.01384	100.0
68.16882	0.5
69.60751	0.4
71.01374	5.0
73.02956	1.2
73.56996	0.5
82.40601	0.5
85.02956	3.4
92.51150	0.5
95.01369	0.7
99.00861	0.9
101.02425	4.0
113.02467	2.3
121.57024	0.5
161.04576	2.8
231.13721	0.5
332.24011	0.5
619.42133	18.4
679.44293	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	679.4436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21591	0.4
57.03444	2.0
59.01382	60.5
60.02611	0.4
61.98831	14.0
64.03511	0.4
71.01378	14.5
73.02942	6.5
81.39932	0.4
83.00296	0.4
83.01389	3.2
85.02944	7.1
87.00855	0.7
89.02437	6.2
95.01394	0.7
96.70848	0.5
99.00866	2.3
99.04487	1.0
101.02437	16.4
113.02438	8.4
115.53589	0.5
119.03500	2.6
124.31156	0.5
125.02434	2.3
129.01845	0.6
161.04524	3.0
184.19063	0.5
193.05161	0.7
232.40256	0.5
619.42188	100.0
679.44202	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	679.4438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.1
59.01382	73.5
62.36905	0.8
71.01373	13.5
80.58112	0.9
82.98766	1.0
85.02957	5.1
85.20182	0.9
89.02440	14.3
90.24702	0.9
92.22489	1.7
99.04531	0.9
99.33205	1.2
101.02442	12.0
103.88834	1.0
105.93020	1.0
113.02486	7.2
119.03488	5.1
119.33408	1.1
121.05934	0.9
129.03526	1.0
141.85391	1.3
161.04478	1.2
179.05675	2.0
424.76941	1.0
528.48181	1.1
619.42218	100.0
628.34998	1.4
679.44287	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	679.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99267	0.4
54.05541	0.4
56.28659	0.4
56.57436	0.4
57.03456	0.5
57.88711	0.4
59.01382	100.0
67.15897	0.3
71.01377	4.2
73.02947	1.9
79.45531	0.5
83.01416	0.5
85.02951	2.7
95.01339	0.5
96.67896	0.5
101.02439	4.7
109.08317	0.5
113.02459	2.7
113.67594	0.5
134.03716	0.9
161.04591	2.3
175.04053	0.8
193.05133	1.2
215.74847	0.5
619.42133	20.1
679.44775	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	679.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95488	0.7
59.01374	1.1
66.21790	0.8
74.93816	0.8
77.38905	0.7
83.05030	7.5
84.02157	0.9
99.08179	1.0
99.14156	0.8
118.07213	0.8
123.66384	0.8
127.11279	1.1
137.09712	12.7
139.11276	1.2
153.09242	1.1
153.12823	0.9
155.10799	13.1
167.74545	0.8
171.10246	13.4
180.21484	0.8
191.57709	0.9
193.12361	5.4
209.11845	10.5
211.13493	0.9
247.20592	3.2
263.20242	2.0
265.73108	0.9
273.18710	1.0
291.19653	20.2
309.20758	100.0
347.91061	0.9
391.46112	0.9
650.22894	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04026	0.2
56.33381	0.2
59.01384	12.7
60.01723	1.1
60.23270	0.2
61.98832	100.0
64.68414	0.2
71.01384	1.1
89.02433	2.4
99.04522	0.3
101.02464	1.1
114.55014	0.3
119.03493	0.4
125.02473	0.3
161.42656	0.3
172.49750	0.3
179.05548	0.5
186.09032	0.3
226.35803	0.3
620.42365	5.6
680.44708	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	681.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30824	0.6
55.37335	0.7
59.01375	7.4
69.28256	0.7
71.01382	3.5
73.02924	1.1
85.02937	1.3
87.04521	3.2
89.02439	1.2
99.00885	3.6
101.02473	1.1
104.14126	0.7
109.02940	8.0
109.30748	0.8
113.02454	3.3
121.02947	18.2
122.03699	4.1
123.04513	1.2
130.26448	0.7
135.04524	24.4
144.18129	0.9
159.10266	1.6
159.78879	0.9
164.04829	1.5
179.07098	5.4
190.89484	0.7
214.96136	0.7
235.13452	0.7
271.06189	4.2
286.08450	15.1
301.10843	100.0
505.17245	1.1
526.34528	0.8
595.20062	2.9
621.40125	3.8
637.21448	99.5
681.42792	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	681.2043
Annotation	Pinocembrin 7-apiosyl-(1->5)-apiosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
59.01377	16.5
59.91003	1.4
71.01381	7.7
72.99287	1.8
75.00890	3.3
85.02953	13.7
86.83361	1.5
87.00862	7.5
89.02439	18.2
93.03441	1.6
96.27075	1.5
97.02939	2.9
99.00881	5.3
101.02399	2.5
113.02449	7.0
119.03501	5.9
119.05003	19.4
129.01923	9.3
134.03738	16.6
137.02399	3.8
143.03510	3.2
149.06039	2.7
161.04547	1.9
163.04027	32.7
166.02618	1.9
179.05611	54.3
181.05093	2.2
191.05583	3.0
193.05064	42.9
203.07155	2.7
209.06677	45.6
309.11411	1.9
325.09201	15.0
339.12421	3.2
355.10388	100.0
501.18027	11.5
519.18787	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	681.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76230	1.0
59.01398	1.3
76.04873	1.2
77.36474	1.4
93.03435	25.4
96.95997	1.6
125.91380	1.4
134.03726	64.2
137.02444	73.3
137.03513	2.4
149.06076	100.0
160.82849	1.5
178.02686	8.0
193.05067	56.9
206.31366	1.3
235.34502	1.6
259.19662	1.3
267.08755	79.7
271.06219	2.1
413.10938	38.7
607.16992	1.5
652.83240	1.4
656.51154	1.6
681.20453	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	681.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98455	0.5
54.06932	0.5
58.00601	0.8
59.01381	68.4
71.01376	47.0
72.46657	0.6
72.99294	0.9
73.02943	1.3
75.00881	2.4
84.34692	0.6
85.02958	7.3
87.00871	3.5
89.02437	100.0
92.22510	1.1
95.01366	3.0
96.95996	0.9
99.00889	1.1
101.02438	32.5
108.02171	3.9
113.02441	25.1
119.03490	37.2
119.05006	4.9
123.04529	9.1
129.01947	1.3
131.03467	1.4
134.03746	7.3
143.03539	5.2
145.70441	0.7
146.76662	0.7
149.04567	1.2
149.06049	3.1
160.05330	1.0
161.04562	8.7
163.04034	5.7
174.03252	0.7
175.07613	1.2
179.05611	86.9
188.04803	4.6
193.05054	14.6
203.07152	14.3
209.06708	6.1
222.55310	0.7
263.07281	0.9
278.09494	2.6
279.06677	6.5
291.06570	0.9
294.08981	7.1
296.10605	1.0
306.08960	1.3
309.11337	13.0
309.83008	0.7
325.09271	9.6
339.12384	21.0
355.10400	18.1
489.17584	14.4
501.17725	58.5
519.18805	19.3
681.20508	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2407
Annotation	Bruceoside A
Peak:m/z	Relative Intensity
55.07934	0.5
58.00596	0.8
59.01381	80.6
64.36279	0.6
71.01379	50.5
72.99297	1.4
73.02950	0.6
78.89809	0.5
83.01366	0.9
85.02946	6.8
87.00871	1.3
88.29022	0.5
89.02438	100.0
95.01385	1.3
96.96012	1.2
97.02976	0.7
99.00850	0.9
101.02440	30.3
108.02174	3.7
113.02438	29.7
118.10761	0.6
119.03488	36.0
119.05003	4.3
123.04507	11.5
131.03482	1.2
134.03738	0.7
137.02454	4.2
143.03531	5.2
145.42767	0.6
149.04488	2.0
149.06250	0.8
154.47737	0.7
160.05220	1.2
161.04543	8.4
163.03993	2.5
174.03140	1.0
175.07660	0.7
179.05612	59.7
188.04788	6.8
193.05054	1.4
203.07158	14.6
209.06619	1.4
259.39880	0.6
260.44922	0.7
263.07141	0.8
271.09625	0.8
278.09454	1.0
279.06589	4.8
291.06714	0.9
294.09033	8.4
296.10587	2.3
306.09067	1.5
309.07971	1.1
309.11322	11.2
312.09943	1.2
315.48438	0.6
319.92957	0.6
324.09912	0.7
325.09219	1.0
333.68085	0.7
339.12387	20.8
343.03949	0.6
355.10446	4.6
381.13608	0.7
489.17737	14.2
501.17734	61.0
519.18713	24.6
681.19843	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	681.262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92557	0.7
55.44294	0.8
57.03453	1.6
59.01380	32.1
68.99837	1.3
69.03490	0.8
71.01376	13.4
72.99289	1.0
73.02960	1.3
75.00874	7.8
85.02955	10.0
87.00874	3.9
89.02449	11.0
91.64634	0.9
95.01392	3.5
96.96005	0.9
99.00883	7.4
99.04514	5.3
101.02453	7.4
103.00396	0.9
113.02446	16.8
117.34879	0.8
117.99924	1.0
119.03498	1.2
122.06144	1.1
129.01926	1.7
131.03513	1.7
135.08247	0.9
136.07703	1.9
137.09729	1.1
139.05956	1.1
150.05666	1.4
150.27374	0.8
161.09698	1.4
163.04066	1.4
163.07715	1.2
164.04413	1.1
175.02519	2.1
175.03972	1.3
176.04407	1.0
179.10828	1.5
188.19691	0.9
189.12909	1.6
207.14015	3.5
209.11971	0.9
227.81700	1.2
229.09738	1.8
230.11974	1.6
245.09276	1.1
249.06169	11.8
267.07245	10.3
268.64374	0.9
273.12473	3.3
284.03284	1.1
300.02875	3.7
309.08206	1.7
311.10278	1.0
335.12543	5.9
336.12842	6.3
337.13144	5.0
524.20367	1.3
544.96466	1.0
681.26471	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92557	0.7
55.44294	0.8
57.03453	1.6
59.01380	32.1
68.99837	1.3
69.03490	0.8
71.01376	13.4
72.99289	1.0
73.02960	1.3
75.00874	7.8
85.02955	10.0
87.00874	3.9
89.02449	11.0
91.64634	0.9
95.01392	3.5
96.96005	0.9
99.00883	7.4
99.04514	5.3
101.02453	7.4
103.00396	0.9
113.02446	16.8
117.34879	0.8
117.99924	1.0
119.03498	1.2
122.06144	1.1
129.01926	1.7
131.03513	1.7
135.08247	0.9
136.07703	1.9
137.09729	1.1
139.05956	1.1
150.05666	1.4
150.27374	0.8
161.09698	1.4
163.04066	1.4
163.07715	1.2
164.04413	1.1
175.02519	2.1
175.03972	1.3
176.04407	1.0
179.10828	1.5
188.19691	0.9
189.12909	1.6
207.14015	3.5
209.11971	0.9
227.81700	1.2
229.09738	1.8
230.11974	1.6
245.09276	1.1
249.06169	11.8
267.07245	10.3
268.64374	0.9
273.12473	3.3
284.03284	1.1
300.02875	3.7
309.08206	1.7
311.10278	1.0
335.12543	5.9
336.12842	6.3
337.13144	5.0
524.20367	1.3
544.96466	1.0
681.26471	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.4
57.03453	4.6
59.01099	0.6
59.01382	12.2
71.01375	14.1
71.77223	0.4
72.99303	3.2
73.02940	4.9
75.00868	19.5
79.68930	0.4
83.01384	2.5
85.02946	23.4
87.00867	5.8
89.02435	3.4
92.09734	0.4
93.07080	0.7
95.01402	2.8
99.00864	8.8
99.04514	1.5
101.02436	11.4
103.00378	0.6
111.00868	1.9
113.02442	28.3
115.00372	2.1
117.01937	2.2
118.24416	0.4
125.02412	0.9
129.01932	0.9
131.03467	0.5
149.05986	0.4
152.08395	0.4
157.01399	0.7
159.02962	0.6
161.04547	1.7
173.04622	0.6
175.02461	0.6
184.88214	0.4
199.31157	0.4
213.18604	2.5
276.07675	0.4
283.02484	2.0
284.02985	0.7
298.04813	1.4
299.05157	1.5
300.05463	0.8
375.23828	0.8
419.92065	0.4
488.37292	0.4
563.34161	0.7
577.32605	0.7
637.16614	3.4
637.33966	2.1
677.10925	0.5
681.37140	100.0
694.61737	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.1
55.46666	1.0
56.47931	1.1
59.01100	2.3
59.01382	42.9
59.01683	1.6
68.14580	1.1
69.03455	1.2
71.01377	25.1
73.02936	5.9
77.76580	1.1
83.01382	3.0
85.02967	5.5
87.00858	2.2
89.02436	36.5
95.01380	1.4
97.02937	2.9
97.96874	1.2
99.00905	1.3
101.02433	25.0
107.04681	1.2
110.98318	1.0
113.02432	14.6
115.05791	1.1
116.92860	5.1
118.06211	1.3
119.03484	6.0
125.02440	9.2
131.03459	1.5
143.03494	4.3
151.07520	1.2
161.04553	2.8
171.10251	5.0
179.05656	1.4
187.09814	1.7
221.06757	2.4
235.08272	11.9
277.21802	4.5
283.26462	98.7
300.87268	1.3
397.13528	100.0
415.14630	27.8
494.81366	1.4
520.89050	1.7
626.19025	1.4
681.40314	24.3
693.43262	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	681.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.1
59.01382	37.9
61.34768	0.7
62.56476	0.7
71.01373	5.9
71.05011	4.0
73.02943	3.8
81.03446	0.8
85.02950	10.3
87.04514	24.5
97.06554	3.3
101.06092	3.9
103.84346	0.9
113.02496	1.1
115.07632	5.3
123.08171	3.0
125.06046	6.8
137.02417	3.6
139.07671	3.9
141.09253	1.4
153.55823	0.8
157.08664	1.6
159.10266	32.2
168.62009	0.9
229.33899	1.0
621.40137	29.2
681.42322	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.4
57.40663	0.5
59.01382	31.3
71.01379	4.4
71.05001	3.2
73.02943	3.2
83.01380	0.8
85.02943	10.5
87.04507	21.5
97.06589	1.5
101.02465	0.7
101.06071	3.0
105.57550	0.7
115.07636	3.5
123.08126	1.3
125.06056	5.6
134.09404	0.7
139.07643	3.8
141.09248	1.5
157.08698	1.0
159.10266	28.3
164.17726	0.7
231.21362	0.7
283.05646	0.7
398.76578	0.8
621.40063	29.0
639.40546	1.1
681.42285	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67053	0.4
54.09756	0.4
55.92554	0.4
57.03451	4.3
59.01384	33.1
71.01385	4.8
71.05025	4.4
73.02946	4.4
81.03487	0.5
83.01389	0.5
85.02947	9.4
87.04514	20.8
93.64406	0.5
97.06570	2.3
99.00859	1.0
99.04510	0.6
101.02412	0.4
101.06075	2.4
102.09484	0.4
113.02396	0.5
115.07639	4.3
120.12751	0.5
123.08115	0.8
125.06084	6.1
139.07649	3.7
141.09256	1.9
143.07091	0.5
157.08644	1.0
159.08997	1.0
159.10266	20.8
165.40230	0.4
223.13342	0.5
371.26047	0.6
389.26892	0.9
446.69348	0.5
491.93488	0.5
503.29700	1.1
507.36765	0.7
529.31671	0.6
621.40320	21.1
639.41766	0.7
663.66101	0.5
681.42322	100.0
700.04675	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.4
59.01384	56.7
71.01385	6.8
71.05020	3.8
71.05438	0.5
71.05873	0.7
73.02938	3.7
83.01392	0.8
85.02935	9.8
87.03972	1.0
87.04508	24.3
94.48419	0.6
97.06573	2.5
101.06097	4.6
113.02435	0.8
115.07650	5.3
121.97035	0.7
123.08175	1.5
125.06076	4.0
139.07642	3.5
141.09256	1.2
157.08728	1.1
158.57358	0.7
159.10280	20.0
233.18030	0.6
261.51965	0.6
315.40393	0.7
344.14450	0.8
389.27097	1.4
485.28998	1.4
503.30185	1.0
576.47461	0.7
588.32721	0.8
621.40131	25.8
639.40918	1.2
681.42346	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29516	0.9
51.40301	0.7
56.37029	0.9
57.03453	96.4
59.01384	55.8
69.38680	1.1
71.01340	1.0
72.18702	0.9
77.53761	1.0
81.03471	2.0
86.97114	0.9
95.62297	1.0
99.04517	100.0
101.02438	22.3
110.81296	1.1
113.02535	1.1
125.02438	47.6
129.02315	1.1
143.03484	6.5
158.73592	1.2
179.53549	1.0
179.80962	1.1
184.60158	1.0
216.52849	1.2
242.06058	1.1
263.20187	9.7
277.21747	40.3
617.86432	1.2
681.29187	4.3
681.42169	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	681.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10095	0.4
58.70307	0.3
58.72482	0.4
59.01382	100.0
61.40124	0.4
62.78211	0.4
90.22830	0.4
92.22566	0.7
101.51183	0.4
104.04365	0.5
104.66508	0.4
116.42255	0.4
150.20164	0.5
174.10501	0.5
183.11813	0.5
286.38904	0.5
386.00021	0.5
681.42358	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	681.423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55311	0.6
58.29578	0.6
59.01386	100.0
72.99322	1.0
74.46857	0.6
79.17264	0.7
98.62820	0.9
108.10353	0.7
117.68225	0.7
309.77725	0.8
645.24408	0.9
681.42828	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	681.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90683	17.1
56.87955	17.6
59.01376	88.6
71.01368	38.0
75.13270	24.8
101.02426	26.5
125.02470	24.2
126.84570	20.0
127.82990	24.6
136.92320	22.9
287.74911	20.9
414.38568	24.3
482.57025	21.4
502.77014	24.7
566.62854	20.9
577.35431	35.4
648.71069	22.3
681.42255	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	681.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57267	0.5
59.01381	100.0
60.81492	0.5
65.53369	0.5
67.28240	0.5
75.21139	0.5
94.98972	0.6
106.33575	0.6
115.67077	0.6
116.19443	0.6
161.26427	0.6
170.22945	0.6
225.92374	0.7
434.79730	0.7
681.42419	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	681.4566
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63197	0.5
59.01366	0.6
62.42426	0.5
76.35641	0.6
84.45592	0.6
99.08138	2.2
116.89371	0.5
125.09698	0.6
139.11316	0.7
165.12833	2.8
171.07974	0.6
171.10228	2.2
183.13893	3.1
193.08510	7.9
193.12289	1.0
205.12106	2.9
209.11780	0.6
211.13402	23.8
221.11618	10.4
229.14462	17.7
231.10037	6.7
233.11594	100.0
249.11110	19.1
251.12874	17.5
311.22522	0.7
329.23364	45.1
351.21564	38.2
391.82684	0.6
434.12714	0.6
456.96460	0.6
681.45654	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	681.4566
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22792	0.9
56.72507	1.1
59.01384	2.2
59.22765	1.1
61.63653	1.4
64.79929	1.0
68.79084	1.0
80.32884	1.3
93.13246	1.0
99.08113	1.7
125.26181	1.2
127.07616	1.2
129.09216	9.1
169.12315	8.7
181.12370	6.8
183.13852	1.7
197.11839	2.7
199.13422	21.6
203.10565	11.4
211.13359	12.6
215.10570	1.7
219.09996	21.9
221.11603	45.6
233.11644	33.1
235.09464	2.8
249.11086	29.0
251.12617	2.8
292.34839	1.2
293.21335	2.4
311.22357	2.4
315.19440	7.5
319.78387	1.5
329.23373	100.0
333.19254	10.0
351.21558	49.5
351.25626	1.3
681.45569	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	682.293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28076	1.0
50.74101	1.0
55.01877	1.9
58.02976	1.9
59.01382	83.3
71.01373	10.1
73.02954	8.1
73.84946	1.1
83.01389	8.2
85.02956	5.7
89.02427	6.4
101.02437	20.7
113.02456	10.3
118.34385	1.4
119.03488	2.4
134.03723	4.5
142.05107	2.2
156.17491	1.3
161.04530	6.9
193.05106	3.1
226.60718	1.2
333.19257	6.5
357.19342	1.5
375.20279	11.8
393.21246	5.2
399.20480	8.7
417.21255	20.0
435.22403	100.0
441.21155	10.2
459.22772	1.6
477.23322	8.7
519.24072	2.0
537.25708	2.5
589.75769	1.4
682.21521	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	682.4181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92104	0.2
54.10336	0.2
57.03445	0.3
59.01384	3.3
60.01713	0.3
61.98833	100.0
89.02430	0.7
90.77033	0.3
92.22501	0.4
99.04543	0.4
236.26634	0.3
267.27814	0.4
388.53180	0.3
390.95306	0.3
396.35986	0.3
549.34589	0.3
619.24896	0.3
622.43372	2.0
682.43402	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	682.4181
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22514	0.3
59.01384	12.5
60.01716	1.5
61.01808	0.7
61.98834	100.0
71.01378	0.5
85.02934	0.3
91.64842	0.4
101.02477	0.5
178.23701	0.3
201.99837	0.3
546.63049	0.3
622.43048	3.4
682.45654	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	683.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.4
59.01382	3.0
70.33939	0.6
71.01377	2.9
72.99304	1.4
75.00859	10.7
75.59634	0.6
84.75755	0.6
85.02953	8.8
87.00846	1.4
89.02445	2.8
96.96014	0.7
99.00880	8.5
113.02499	0.7
119.05013	21.3
129.01950	19.9
130.78802	0.6
134.03755	0.8
150.05562	0.7
159.02966	1.5
163.04010	67.2
177.04062	11.5
189.02231	0.8
189.03931	0.7
193.05035	3.1
195.05107	60.2
238.67169	0.8
261.08649	0.8
293.12433	0.8
341.08792	100.0
371.10071	0.9
375.41074	0.7
630.81635	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19394	0.3
55.07428	0.3
57.03437	0.4
59.01374	2.4
68.02877	0.4
71.01350	0.6
75.00859	7.3
85.02943	1.6
86.63693	0.4
87.00877	2.2
89.02462	0.8
89.34792	0.4
96.96029	0.5
99.00887	3.7
101.02419	0.7
109.17271	0.3
109.55653	0.4
113.02480	0.5
116.64946	0.4
117.55431	0.3
119.05018	6.0
129.01939	13.4
159.02983	1.8
161.04517	0.5
163.04002	11.8
177.04088	3.3
177.11221	0.4
179.05647	2.8
195.05106	100.0
260.01086	0.4
293.12500	0.8
325.09180	1.6
341.08820	33.3
408.97852	0.4
486.01846	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1836
Annotation	5,2',4'-Trihydroxy-3,7,5'-trimethoxyflavone 2'-galactosyl-(1->4)-glucoside
Peak:m/z	Relative Intensity
51.11906	0.5
62.06894	0.5
85.81908	0.7
88.61142	0.5
105.19092	0.5
119.74789	0.6
165.01921	12.4
212.64940	0.6
240.04237	1.0
271.06134	14.5
283.02496	5.9
284.03351	7.9
297.03903	1.3
298.04843	26.1
299.05627	100.0
315.04868	0.8
317.66364	0.7
461.10971	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	683.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69232	0.3
57.03440	0.5
59.01380	0.8
68.32846	0.3
71.01394	0.5
73.02962	0.4
75.00857	2.0
82.69781	0.3
84.54552	0.3
85.02939	6.4
87.00874	2.1
89.02464	0.5
92.23090	0.6
99.00912	0.4
101.02462	0.5
119.05019	28.8
128.48154	0.3
129.01920	0.8
145.02963	0.4
163.04012	100.0
177.04062	6.6
195.05128	5.1
208.93401	0.4
341.08810	40.3
447.78030	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92740	0.4
54.95508	0.4
57.03435	0.4
59.01377	1.0
63.04930	0.5
71.01372	1.0
75.00867	4.1
85.02934	5.2
87.00865	0.8
89.02441	1.0
93.03402	0.5
93.33448	0.5
97.02902	0.5
99.00871	4.3
101.02403	0.6
119.05011	31.4
126.84588	0.5
129.01932	10.2
134.03616	0.5
159.03008	2.2
163.04007	100.0
164.07115	0.5
169.80707	0.5
177.04019	4.1
193.05061	1.0
195.05109	57.5
269.23758	0.5
341.08789	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	683.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.1
61.11906	1.0
61.36829	1.1
71.78297	1.3
102.85806	0.9
127.01499	22.6
225.42728	1.2
468.17740	5.7
479.17612	1.8
483.20316	6.3
493.18848	12.1
500.17120	4.3
506.16849	4.7
507.16959	1.8
510.15421	9.0
521.18500	14.4
523.16479	2.3
525.17413	1.9
534.16864	8.2
536.14612	5.6
537.17511	2.8
538.18463	1.3
540.29041	1.3
550.15192	7.9
551.17456	2.4
565.17108	1.6
569.16730	5.6
582.17023	1.6
589.19507	1.5
607.19214	2.4
641.18915	5.9
651.18658	4.8
683.21112	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13893	0.8
59.01381	33.3
68.22565	0.8
71.01376	27.7
73.02948	6.2
81.11955	0.8
83.01353	0.9
85.02942	1.8
87.00866	1.9
89.02436	78.5
93.18171	1.0
97.02952	5.4
101.02435	28.3
113.02446	20.1
115.71257	0.8
118.50293	0.9
119.03487	24.7
126.22353	0.8
135.91251	0.9
143.03465	4.8
149.04515	1.7
161.04555	17.2
179.05606	16.2
219.71935	0.9
221.06674	6.8
225.71907	0.8
237.26717	1.0
253.48796	0.8
281.08810	1.3
341.10922	100.0
377.38367	0.9
406.83459	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.0
59.01378	6.9
61.86536	1.0
64.56389	1.3
70.63324	1.2
70.97032	1.0
82.96202	0.9
85.02914	1.2
96.96011	1.4
99.04541	1.7
99.67736	1.2
101.02436	1.4
108.13438	1.0
113.02500	1.2
117.03455	5.2
134.03734	100.0
149.06067	14.0
160.01642	7.7
175.03989	12.6
178.02654	1.7
181.31174	1.1
193.05061	99.5
215.23166	1.4
337.05078	1.2
404.79883	1.3
639.26636	30.6
680.39038	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	683.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89289	0.3
68.93938	0.3
71.01359	1.6
72.99305	0.9
78.51004	0.4
79.06963	0.3
79.92662	0.4
113.02452	0.7
121.02905	2.2
123.04543	0.5
134.03697	2.1
136.05249	0.5
149.02428	1.0
149.06105	2.0
150.03214	2.6
151.03966	0.4
159.04509	1.5
160.05281	6.7
161.02422	6.3
161.04547	1.3
161.05995	0.6
163.03990	2.8
164.04788	4.1
173.06075	0.8
175.07639	21.6
177.05594	4.8
178.02701	2.2
178.06363	9.9
179.03471	3.5
182.70381	0.4
192.07915	6.7
193.05032	5.5
193.08667	4.7
195.06670	0.6
197.04608	5.4
212.09149	0.3
214.31773	0.4
215.88161	0.4
264.68445	0.4
314.11551	1.9
317.10406	0.7
323.07779	2.3
329.13965	100.0
359.15015	31.0
491.19714	0.5
521.13251	2.7
521.20300	25.4
683.19128	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	683.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.6
59.01384	6.4
62.38694	0.5
71.01382	2.7
73.02953	0.9
89.02453	0.8
99.04514	0.9
101.02448	1.0
113.02464	2.5
117.03459	5.6
127.42480	0.6
134.03740	99.3
143.03441	0.8
149.06084	14.7
160.01685	7.5
161.04596	1.3
175.03999	10.6
178.02686	2.9
193.05069	100.0
289.16653	0.8
420.90640	0.7
445.20636	0.9
495.11505	1.4
543.67267	0.7
622.40619	0.7
639.26642	30.7
683.35327	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	683.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	5.0
59.01371	0.4
70.02972	6.7
72.00884	0.3
72.04538	1.8
72.61483	0.3
74.02466	30.0
98.02467	6.3
116.02731	0.7
116.03532	20.3
116.05038	6.9
130.06607	0.6
138.43289	0.3
142.06627	0.8
159.09306	2.9
183.09331	0.3
186.05620	1.6
201.10385	6.5
203.08278	62.0
245.09315	100.0
289.08310	6.1
350.55173	0.4
430.95663	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02973	2.5
59.01381	11.6
70.02967	8.0
74.02472	26.4
77.38899	1.0
82.50672	0.9
83.64968	1.0
86.53716	1.0
98.02460	5.3
99.20724	1.1
101.02401	1.1
115.32050	1.1
116.03528	22.9
116.05058	5.5
142.06572	1.4
149.78967	1.1
159.09233	1.7
178.45674	1.1
201.10345	6.4
203.08287	58.9
212.92311	1.0
245.09315	100.0
289.08340	7.0
683.26221	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	683.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29404	0.7
59.01351	0.6
64.28841	0.8
72.46094	0.7
79.53181	0.7
82.24241	0.6
90.87318	0.6
97.42501	0.7
111.14893	0.7
125.29167	0.9
125.72855	0.8
130.21126	0.6
145.44159	0.8
167.07956	0.7
184.16100	0.8
190.51776	0.7
202.18282	0.7
225.06700	1.0
251.08139	1.0
253.05942	1.0
267.07672	0.7
311.10654	0.9
339.10007	0.9
437.86688	0.9
438.14664	1.0
449.19708	3.9
450.20493	0.9
477.19363	8.1
478.20206	1.4
489.19193	1.5
490.16696	4.3
491.17593	4.4
504.18097	20.3
505.18872	22.8
506.19641	4.2
517.18951	3.9
545.18579	5.9
549.17761	1.7
563.22760	0.9
564.20886	1.0
565.20850	3.2
577.20844	4.7
591.22766	11.9
592.23309	8.2
593.24463	6.7
619.22174	1.2
651.24756	46.0
652.25549	7.0
683.27295	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89869	1.0
57.25999	0.8
60.24577	1.1
61.10413	1.0
65.13721	1.1
69.39951	0.9
77.24937	1.3
99.13008	1.2
109.43158	1.1
116.92839	1.5
135.66461	1.2
137.55147	1.1
146.06905	1.1
151.51993	1.0
182.80925	1.1
257.37137	1.1
310.23190	1.2
354.16095	1.4
449.20160	1.9
477.19937	2.1
489.19495	2.6
490.16315	4.7
491.17435	1.8
504.17993	14.7
505.18790	20.6
545.18402	6.6
565.21271	2.0
577.20905	1.5
591.22198	8.9
592.23413	6.5
593.24170	6.6
651.24536	22.6
652.25519	4.9
683.27344	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	683.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26895	1.6
59.01357	2.5
64.34133	1.9
72.62275	1.6
125.09727	14.9
187.09767	3.1
277.21747	8.3
311.10071	2.7
477.19348	7.6
491.16699	2.7
504.18008	14.1
505.18784	17.8
506.19867	2.9
535.24548	2.6
550.18494	2.4
577.21417	3.2
591.22430	12.3
592.24005	3.6
593.24103	3.2
651.24921	24.4
652.25421	3.8
683.27240	100.0
683.39905	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	683.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
63.80093	0.8
80.90048	0.9
87.01794	0.7
106.06667	1.5
113.60087	0.9
116.92873	1.8
120.13300	1.0
121.52108	1.1
132.71390	1.0
166.55843	0.8
176.12431	0.9
176.28873	0.9
267.11371	1.4
277.55060	1.1
344.14194	2.1
396.00922	1.0
430.18024	1.4
432.19241	2.1
460.18179	1.2
477.19382	1.6
490.16489	1.8
503.17233	1.2
504.18103	3.8
505.18851	19.6
533.18152	1.9
535.80402	1.1
562.19281	1.4
563.22668	1.1
565.21283	1.3
575.19727	1.7
577.20972	5.2
591.22797	12.4
592.23242	2.1
593.24005	12.1
651.24847	15.2
652.12439	1.0
652.25305	3.9
683.27313	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	683.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.94958	1.8
92.70042	2.3
101.00725	2.4
104.68832	2.0
107.25921	2.1
114.46121	2.0
116.64692	2.0
119.01289	2.0
206.46011	2.5
344.13986	3.0
505.18942	12.3
577.21051	3.9
591.22449	12.6
593.24054	14.6
651.24884	13.5
683.27332	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	15.8
60.33317	3.1
61.55730	2.8
62.06858	2.7
66.60097	2.7
72.88131	2.7
80.33049	3.1
89.81219	2.9
103.36753	2.9
138.21455	2.9
139.67200	3.3
206.27080	3.7
268.48990	3.1
296.25821	3.4
323.88959	3.1
350.55310	3.8
385.07452	3.1
477.22809	5.2
487.21497	5.4
488.22379	3.9
489.22934	5.0
504.22412	4.1
505.22772	24.6
515.21228	11.8
517.19092	5.2
532.21143	18.2
533.21924	20.9
545.18158	5.4
549.21503	19.3
560.20825	12.1
574.22205	4.2
576.20306	7.6
577.20978	19.6
604.19769	4.6
619.21851	42.1
636.22168	22.5
651.24841	100.0
683.27460	36.0
683.40375	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	683.273
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12117	0.9
59.01383	1.5
61.98825	1.3
66.96465	1.1
68.79124	1.2
71.57861	1.0
92.22527	2.6
106.13146	1.1
110.23098	1.2
129.39780	1.2
206.65350	1.2
213.54379	1.3
284.03952	1.3
352.14334	1.4
358.15247	1.3
372.17072	8.9
380.48120	1.1
400.16687	18.4
444.15604	1.8
477.22949	1.3
487.21109	1.6
489.22800	5.1
491.20938	1.7
505.22046	2.4
513.19165	1.4
514.20642	1.5
515.20917	100.0
531.20166	2.1
533.22089	10.2
542.20215	1.5
543.20294	6.5
559.19910	9.6
574.22156	10.9
575.22876	2.4
577.20880	17.9
589.24658	7.4
592.23206	1.8
618.21228	1.3
619.21631	4.6
633.23291	17.2
636.21820	1.7
651.24731	65.3
665.26300	58.9
683.27020	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	683.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.9
57.03199	1.1
57.03455	23.4
59.01381	27.5
71.01379	27.7
73.02949	12.4
80.71304	0.9
82.34031	1.0
83.01380	5.7
85.02943	18.0
87.00858	2.0
89.02436	10.6
92.23077	2.2
95.01389	1.6
95.96481	1.0
97.02937	2.2
99.00864	4.9
99.04516	12.6
101.01781	1.6
101.02439	42.9
111.00867	6.1
112.01656	1.1
113.02438	19.6
119.03510	2.1
124.50340	0.9
125.02431	8.8
129.01894	1.3
142.49251	1.0
143.03503	4.2
159.02992	5.4
159.50543	0.9
161.04597	9.6
166.69092	0.9
176.61465	1.0
203.50443	0.9
377.25522	9.6
521.29791	9.3
539.30792	83.9
579.33673	1.3
581.31873	16.0
683.35034	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89647	77.9
52.11245	81.1
54.39536	73.0
56.33658	72.7
58.49845	74.9
59.49315	73.1
61.26559	98.5
61.86328	94.2
66.24736	89.0
70.09155	97.1
72.09023	83.6
619.84839	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16554	1.2
59.01363	6.1
74.98214	1.3
75.65615	1.3
76.27777	1.2
89.02432	8.0
93.98177	1.7
97.06564	2.9
101.02415	2.6
113.02462	2.3
117.57263	1.3
119.03470	1.6
125.09706	87.2
169.08730	2.5
172.91788	1.5
180.65462	1.6
187.09763	88.2
253.09309	2.3
277.21799	18.9
363.28891	1.4
406.95599	1.4
423.18765	2.9
683.40204	100.0
685.50281	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	683.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88955	2.0
51.75865	2.1
54.21430	2.1
59.01392	5.2
72.40189	2.6
75.41021	2.1
100.85038	2.4
101.02448	8.4
109.79369	2.3
116.92841	5.1
125.09707	76.4
137.28719	2.5
160.28754	2.3
169.08626	2.9
170.72377	2.1
187.09769	80.0
223.93846	2.2
263.73840	2.3
277.21738	13.1
291.69968	2.1
328.24933	2.2
431.57056	2.8
557.00684	2.4
683.28510	4.8
683.40143	100.0
713.29327	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	683.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.5
59.01380	17.0
60.19855	0.5
71.01005	1.0
71.01378	20.5
73.02940	14.1
74.94527	0.5
75.12783	0.5
83.01392	5.4
85.02942	11.5
86.12804	0.6
87.00841	0.8
89.02440	6.6
95.01370	0.8
96.09389	0.6
97.02940	0.7
99.00877	8.5
101.02440	33.9
109.13086	0.6
113.02438	14.9
125.02413	1.1
126.46604	0.6
129.01866	0.7
143.03529	0.8
145.63733	0.6
159.02989	3.6
161.04568	7.3
199.13284	0.8
265.20749	0.6
273.17209	0.9
277.21750	78.3
291.18152	9.7
405.21140	1.2
423.22348	16.8
683.43854	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59578	1.8
59.01378	15.5
71.01387	17.5
71.05022	4.2
73.00424	2.3
73.02942	4.9
85.02976	5.1
95.30896	2.3
115.45309	2.6
120.37768	2.4
125.09715	3.4
143.10757	34.1
146.97379	2.4
154.52344	2.6
174.08746	2.5
177.19296	2.4
233.09851	2.7
234.72633	2.7
335.66547	2.8
377.36758	2.8
449.98175	2.9
491.37238	2.7
608.55719	2.9
623.41779	100.0
683.33173	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	683.4383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47962	0.6
58.62206	0.6
59.01384	100.0
71.01384	0.8
72.26329	0.7
87.46353	0.8
104.59012	0.7
106.41875	0.8
107.61780	0.8
115.51775	0.8
129.28334	0.9
137.03229	0.9
170.95042	0.8
191.04439	0.9
200.19164	0.8
381.10782	0.9
397.31064	1.0
415.32339	3.2
475.34802	1.0
489.35550	3.4
491.37393	10.7
623.41638	42.0
683.43909	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	683.4384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95416	0.2
56.91718	0.2
59.01380	3.1
71.01388	1.4
73.02929	1.0
85.02943	1.2
89.02450	0.3
97.77876	0.2
98.59697	0.2
100.68367	0.2
101.02435	2.4
111.50296	0.2
113.02438	0.4
114.15216	0.2
130.29039	0.2
150.82762	0.3
161.04535	0.4
170.11871	0.3
207.18057	0.2
259.20547	0.4
275.20029	0.2
277.21750	100.0
278.25085	0.3
291.18213	1.0
306.81046	0.2
405.21399	2.2
423.22449	4.9
683.44226	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.5114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23851	0.6
50.45843	0.6
59.01379	100.0
85.84685	0.7
167.84685	1.0
179.31694	0.7
255.23303	10.1
311.22223	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	685.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62778	0.4
56.18657	0.4
57.03432	0.4
65.74503	0.4
66.20686	0.4
71.01390	0.5
75.65829	0.5
85.02943	6.3
87.00888	1.0
98.75820	0.5
99.00877	1.7
111.00861	0.7
119.05017	42.0
129.01904	5.5
159.03011	1.2
163.04010	100.0
167.03494	17.4
168.65927	0.6
179.05577	0.6
191.05646	5.0
193.05077	0.8
209.06680	33.8
245.20067	0.5
329.08881	5.1
355.10397	61.5
393.17664	0.5
422.54684	0.5
549.63898	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45289	0.4
53.33051	0.4
59.01379	0.9
71.01363	0.6
85.88019	0.4
87.00874	0.7
87.23863	0.4
87.85469	0.5
89.02445	0.9
98.66889	0.4
99.00884	0.8
99.04450	0.5
113.02495	0.6
113.24345	0.4
117.03458	1.1
119.05034	0.5
134.03740	43.9
141.40791	0.5
149.04872	0.6
149.06078	15.2
150.63464	0.4
160.01669	2.6
175.04019	8.4
178.02686	4.8
193.05072	100.0
219.06581	0.5
327.21805	0.7
410.60742	0.5
433.35532	0.5
462.03305	0.6
465.15979	0.6
597.25800	2.9
685.27228	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	685.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07080	0.5
55.90842	0.6
59.01382	4.6
66.16001	0.5
69.47604	0.6
71.01366	0.9
101.02425	2.6
113.02412	0.9
114.31955	0.6
117.03458	6.4
134.03740	94.8
147.91425	0.7
149.06079	16.1
160.01619	8.5
161.04588	1.3
175.04004	12.8
178.02750	1.1
193.05067	100.0
194.78955	0.6
213.64125	0.7
319.31799	0.7
405.20935	0.9
447.22000	0.8
641.28186	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	685.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	4.9
71.01373	0.8
78.82552	0.5
85.02942	0.6
99.00853	0.8
101.02435	4.4
113.02502	0.8
117.03467	4.0
125.02443	0.7
134.03741	100.0
149.06068	12.4
160.01659	9.0
175.04015	17.6
178.02699	2.5
193.05067	98.9
291.18106	3.7
312.82272	0.7
353.45908	0.6
402.49872	0.7
641.28204	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	685.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15919	0.7
53.57108	0.6
57.03437	4.9
59.01380	32.6
60.23528	0.6
67.96317	0.7
71.01382	9.7
73.02947	1.2
73.55858	0.7
74.84889	0.7
75.00865	7.1
83.01369	3.6
85.02950	12.1
87.00861	4.1
89.02441	6.0
95.01377	1.5
99.00863	3.6
99.04529	6.1
101.02422	5.3
101.83904	0.8
103.00374	1.7
113.02441	34.7
125.02415	6.2
129.01918	1.1
138.43451	0.8
153.86682	0.9
159.03079	0.8
161.04535	1.3
168.72772	0.7
175.02388	1.6
205.07133	1.4
221.93201	0.8
231.05116	1.3
249.06192	13.6
267.07217	71.3
290.67642	0.8
291.18423	1.0
309.08319	4.1
337.73346	0.8
351.09171	1.8
369.44678	0.9
467.86520	0.9
514.65631	0.8
685.29169	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.8
62.58270	0.7
92.23080	1.1
101.02435	1.4
103.08588	0.7
104.94298	0.8
113.02399	0.8
175.84624	0.9
252.71707	0.8
273.68213	0.8
295.90738	0.8
519.29449	0.8
581.27911	1.3
685.37341	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03327	0.6
59.01373	1.3
60.98945	0.7
61.92457	0.6
63.95140	0.7
64.92878	0.7
110.40897	0.8
119.43307	0.9
122.71658	0.9
172.34581	1.0
199.43452	0.8
283.06351	1.2
284.14835	0.9
685.37195	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48077	0.5
53.65620	0.6
57.03438	0.6
59.01377	1.4
92.23090	1.3
101.28688	0.7
226.29324	0.6
685.37268	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	686.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35023	0.3
59.08445	0.3
67.70076	0.2
73.69441	0.3
78.95901	0.3
87.00871	0.4
87.10975	0.2
107.03580	0.6
108.02052	0.4
118.85659	0.3
126.03073	0.3
133.01555	10.4
134.04720	0.7
150.04216	100.0
155.94066	0.3
192.99046	0.3
317.20203	0.3
344.04044	42.1
381.71365	0.3
508.17361	0.3
667.43860	0.3
686.16266	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32924	0.7
57.44864	0.8
63.10469	0.9
89.35081	0.9
89.97044	1.0
97.04072	1.0
100.04008	1.2
102.05595	6.9
113.03535	2.3
122.17590	1.0
122.48956	1.0
125.03515	1.2
128.03528	19.8
146.04590	15.0
159.05612	2.1
160.57286	1.0
165.90742	1.1
170.09357	1.9
183.05615	2.1
185.07181	4.6
195.08971	1.1
195.52887	1.0
196.10744	1.1
197.07167	2.4
212.11589	4.1
213.06657	1.0
225.06680	4.7
228.07759	1.6
230.12686	1.1
238.09869	1.3
239.08278	4.1
250.09863	1.6
252.07751	1.6
281.10446	10.5
282.08823	4.7
299.11533	10.9
409.19949	1.4
427.21027	2.1
453.19766	1.7
491.25629	1.2
495.21271	1.6
597.61853	1.1
642.26538	5.3
686.29059	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07162	0.3
59.55274	0.4
59.78537	0.3
62.47613	0.4
96.97524	0.4
99.92570	3.1
106.57336	0.4
114.93355	0.5
116.92854	100.0
117.01936	2.6
119.67827	0.4
267.54831	0.4
344.31607	0.5
455.48550	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08986	0.7
53.26889	0.6
59.01387	8.0
71.01374	5.2
72.99281	0.9
73.02917	1.1
75.00864	8.0
81.17632	0.8
85.02956	8.4
87.00864	4.5
89.02433	1.7
90.45628	0.8
93.03437	15.5
95.01370	3.2
99.00888	5.0
104.26747	1.0
113.02446	18.5
117.01958	1.5
124.01679	10.1
129.01883	0.9
129.74229	1.0
137.02444	98.5
139.04018	26.6
173.95482	0.8
174.00417	0.9
199.69638	0.9
203.05621	0.8
206.16708	0.9
211.06120	7.3
225.75903	0.9
231.05135	1.4
249.06181	26.9
267.07245	23.0
282.11655	0.9
299.07806	10.2
343.10471	5.6
387.09378	100.0
492.40115	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50636	1.2
52.32170	1.2
59.01387	1.8
59.78338	1.4
71.01360	1.6
76.55315	1.3
82.71178	1.3
92.42054	1.5
108.02139	7.5
109.02946	48.3
112.97956	1.5
123.04481	2.3
127.83401	1.6
134.03741	2.6
139.44711	1.5
150.03262	2.9
151.04041	2.5
152.01152	28.2
153.01936	77.4
160.93246	1.4
165.05557	11.5
166.08769	1.8
167.03488	6.1
175.03954	9.5
193.05017	6.1
256.61951	1.6
273.80182	1.6
315.07291	5.9
327.12204	1.9
341.32834	1.4
354.39355	1.4
683.29065	1.8
687.19275	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	687.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05529	0.5
59.01376	7.1
62.26591	0.6
63.95635	0.5
71.01370	1.2
73.96083	0.6
75.00888	0.7
78.73727	0.7
85.02938	0.8
89.02441	1.2
101.02450	1.4
105.13196	0.7
111.08155	2.6
113.02403	1.0
122.03670	0.7
130.39143	0.7
140.89696	0.6
149.02434	2.3
150.03207	22.9
160.84770	0.6
163.04048	0.8
164.04819	2.5
165.01933	6.8
165.05559	100.0
173.08165	2.5
179.05519	0.6
180.04289	26.9
181.05112	0.8
195.06635	99.9
243.08705	2.8
284.80283	0.7
290.65424	0.6
305.36185	0.6
319.13992	2.9
331.11935	1.0
337.14963	1.0
345.04791	0.6
419.75665	0.6
421.15015	3.6
439.16132	70.8
481.17334	14.1
588.08545	0.7
643.22644	0.8
687.22864	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	687.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47879	0.5
54.52195	0.5
56.35728	0.5
59.01382	3.8
75.46485	0.5
96.95994	0.6
149.02451	3.3
150.03195	18.3
151.03925	0.8
164.04773	7.8
165.01929	5.2
165.05557	64.3
167.07045	0.8
180.04256	23.2
191.60335	0.7
195.06630	100.0
196.74977	0.7
243.08702	3.0
246.97211	0.6
261.08731	0.8
301.07199	3.5
301.10815	1.0
315.08652	1.3
316.09464	3.9
331.11902	16.1
353.18069	0.7
391.13907	8.0
439.16132	94.1
481.17130	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	687.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07886	0.5
53.19638	0.5
56.21900	0.5
57.76798	0.5
59.01371	1.6
63.67520	0.5
66.56039	0.6
70.88023	0.6
71.01369	3.1
73.02943	1.3
75.00861	7.0
87.00860	0.8
89.02426	1.0
96.47092	0.7
99.00865	4.0
99.04535	0.8
101.02440	0.9
113.02457	0.8
119.05014	15.0
137.75685	0.7
143.03494	4.7
146.74033	0.7
159.88998	0.7
161.04605	4.3
163.04024	10.3
179.05612	100.0
189.04305	1.4
221.06909	1.0
267.11316	1.0
307.17667	0.9
311.10376	1.3
325.09311	47.1
343.12933	1.1
361.14114	3.3
538.43683	0.8
583.26038	1.3
601.27509	0.9
643.27972	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	687.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40371	0.4
56.45094	0.4
56.45537	0.4
59.01362	0.5
68.35029	0.5
73.02941	0.7
75.00884	1.1
81.03474	1.0
88.40688	0.5
92.35745	0.5
93.19795	0.5
99.00862	1.1
99.04485	0.9
119.05018	27.7
139.43840	0.7
143.03491	1.0
161.04552	1.2
163.04005	100.0
165.04062	0.8
179.05637	9.0
189.04326	0.7
267.11545	0.7
311.07410	0.9
325.09293	48.0
361.14038	1.0
605.14941	0.7
687.24719	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97549	0.6
59.01381	76.5
75.65788	0.5
127.39441	0.6
135.31909	0.5
184.91440	0.7
207.56621	0.6
212.59888	0.5
304.86728	0.6
314.61935	0.6
389.04886	0.7
467.17200	14.7
467.23190	0.8
481.18884	5.8
521.45520	0.6
522.62659	0.7
525.17834	2.2
526.18689	8.4
540.20490	1.1
541.20898	7.5
558.17407	5.7
572.19556	1.0
627.24939	10.2
687.26819	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22193	0.7
55.20296	0.8
57.03450	47.4
59.01380	100.0
63.10215	1.0
71.01363	12.9
73.02597	0.8
73.02932	7.9
82.02935	1.0
83.01359	1.8
85.02941	6.4
89.02444	4.8
93.23723	0.8
99.00897	2.2
99.04519	39.9
101.02432	34.4
113.02439	9.7
125.02446	13.1
130.82245	1.0
143.03526	2.3
159.02963	2.3
161.04559	14.8
221.10321	34.1
234.76448	0.9
235.11913	17.3
257.88852	0.9
263.11346	6.2
277.12909	14.1
279.14462	6.5
288.10510	0.9
303.14420	1.2
321.15573	20.0
364.12421	1.1
365.14508	87.6
365.18311	6.8
404.77411	1.1
454.62717	1.1
548.24512	1.1
664.11597	1.0
683.42694	1.2
687.27795	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	687.324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40845	0.3
56.09481	0.3
57.03442	2.1
59.01379	5.2
65.05827	0.4
67.03100	0.4
71.01373	5.6
71.21918	0.3
72.99300	2.0
73.02930	0.6
75.00867	6.3
85.02942	7.2
86.88377	0.4
87.00876	2.1
89.02434	1.8
95.01382	2.2
97.71916	0.4
99.00882	5.7
99.04498	0.8
101.02449	0.7
111.08151	1.5
113.02445	9.5
115.00350	0.9
117.01939	0.9
127.03970	0.4
129.02000	0.5
165.12830	14.8
175.02498	0.6
183.13902	100.0
187.06320	0.4
209.11836	2.9
211.98531	0.4
227.12914	5.1
249.06082	0.8
257.93085	0.4
267.07343	0.6
288.12411	0.4
301.16711	0.6
477.19736	0.4
625.32361	0.7
636.61481	0.4
687.32379	87.3
719.13147	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	8.1
59.01385	3.6
63.36457	1.9
73.02959	2.1
78.50732	1.7
83.09896	1.9
85.46712	1.7
87.37565	1.8
91.04357	1.8
95.02484	1.8
95.70366	1.8
96.96046	1.9
97.95665	1.8
123.16807	2.0
125.02457	1.9
144.71370	1.9
165.12837	34.0
207.15024	63.9
209.11847	19.7
233.13016	30.2
251.14018	100.0
435.22363	2.7
651.39813	12.7
687.37262	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	687.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.9
55.37310	0.7
57.03447	1.1
59.01381	100.0
60.08534	0.6
69.03461	1.0
71.01377	40.8
73.02940	36.4
83.01379	9.7
85.02941	14.5
87.00895	1.0
89.02436	18.8
95.01378	4.7
99.00874	0.7
101.02438	38.8
113.02442	33.7
119.03485	8.0
125.02444	1.1
125.71543	0.8
131.03470	3.2
143.03479	3.2
149.04579	3.6
152.65953	0.8
161.04549	13.2
179.05614	4.7
221.06642	3.6
231.13913	1.1
291.80942	0.8
435.28955	1.2
465.29935	3.6
579.33411	0.8
597.34003	1.8
627.35510	46.4
645.36597	24.2
687.25110	1.3
687.37482	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	687.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61590	2.1
59.01383	3.0
71.01353	2.8
89.79440	2.4
124.72290	2.6
186.59593	2.6
311.62357	2.5
687.38983	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98713	0.9
59.01385	1.9
61.93476	0.8
74.93130	0.9
75.25584	0.8
90.76021	0.9
92.22536	2.3
113.02460	1.2
117.83537	0.9
139.02730	1.0
178.22650	1.0
687.38928	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20440	2.1
56.63776	2.5
59.01383	100.0
61.98848	19.6
75.93267	2.3
92.54728	2.8
101.34531	2.9
106.96432	2.9
178.93074	2.9
189.99490	2.7
238.84601	3.8
272.98892	2.7
620.10101	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	689.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56011	0.8
55.57066	0.8
59.01103	2.1
59.01381	34.3
67.63750	0.9
70.02969	5.0
71.01380	25.9
71.01775	1.3
73.02943	9.6
74.02458	11.5
83.01379	2.3
85.02935	9.9
89.02429	18.7
89.49663	0.9
94.95457	1.0
95.01385	1.3
96.95998	1.0
98.02461	1.8
98.37031	1.0
99.00881	4.8
101.02435	39.0
113.02441	20.8
113.06077	8.9
116.03535	13.0
116.05016	5.9
117.00410	1.0
119.03494	5.2
119.05110	1.4
121.02933	4.9
125.02480	1.4
131.07135	48.9
143.03471	1.6
152.08423	2.6
153.09213	10.1
159.02980	5.7
161.04512	19.0
163.03874	1.7
165.01993	1.3
173.08177	25.9
201.10381	4.2
203.08270	27.1
209.06693	1.2
245.09300	38.1
251.11357	31.8
289.08270	1.4
297.19629	1.2
367.17859	1.7
399.13004	100.0
427.19656	16.8
650.22083	1.3
689.23297	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	689.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	11.5
60.99291	0.5
63.62674	0.5
66.81997	0.5
66.94180	0.4
67.01880	2.6
69.25326	0.4
71.01369	3.2
71.86253	0.4
81.03428	0.6
85.02934	1.9
85.56767	0.4
87.00869	7.1
93.03445	28.5
101.02433	2.2
111.04505	5.8
119.05002	1.0
129.01944	2.0
134.03719	7.6
134.43051	0.6
137.02426	2.5
144.13950	0.5
149.06113	1.0
155.03511	3.8
160.07805	0.4
161.04466	0.7
163.04005	4.1
165.04018	0.6
173.04543	61.3
175.03954	0.6
191.05620	100.0
193.05061	16.5
213.98499	0.5
235.11829	3.7
243.54230	0.5
277.13052	4.1
325.09470	1.1
367.10352	80.4
418.06052	0.5
421.50006	0.5
438.19595	0.5
626.15948	0.5
671.90204	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.7
72.99306	0.5
73.02952	0.9
75.00855	0.8
87.00870	0.7
92.22431	0.7
99.04515	2.4
119.05016	27.4
120.45480	0.5
124.89059	0.5
143.03523	0.6
161.04581	2.3
163.04007	100.0
179.05609	8.8
191.05650	0.9
207.92200	0.6
215.12086	0.6
325.09305	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	689.288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
71.01388	6.0
73.02934	3.3
73.94160	1.4
85.02947	1.8
89.19541	1.5
99.00913	1.6
101.02434	9.3
113.02438	1.8
161.04570	7.1
163.06508	1.5
167.69719	1.5
201.96562	1.5
235.11772	22.9
236.50102	1.5
277.12976	30.4
367.16110	14.5
602.22723	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	689.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	46.4
61.47185	0.7
71.01381	26.2
85.02946	3.5
89.02438	56.4
101.02435	20.5
113.02443	16.7
117.04930	0.9
119.03477	21.4
127.07651	38.9
131.03479	1.2
141.89372	1.0
143.03535	1.3
151.56268	0.8
161.04506	1.8
179.04146	1.2
179.05605	13.9
194.69370	0.9
237.84711	0.9
307.14014	100.0
415.89478	0.9
498.28918	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33638	0.6
57.03443	4.1
57.32084	0.6
58.00600	0.6
59.01383	59.1
71.01380	13.9
81.07101	1.3
81.72577	0.6
85.02934	3.0
89.02436	20.3
89.81166	0.6
95.37698	0.7
99.04523	4.1
101.02444	12.8
109.26360	0.6
113.02451	7.1
119.03469	7.3
125.02429	3.9
168.79611	0.7
179.05649	0.9
236.79750	0.6
325.21786	0.8
367.22797	8.4
411.54694	0.7
449.30545	3.3
467.31564	1.3
599.32074	1.5
614.34973	1.4
629.37030	100.0
689.39752	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	689.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20969	0.5
54.72795	0.5
59.01381	64.0
66.54104	0.6
71.01378	21.9
72.99303	0.6
73.02934	0.9
76.61172	0.4
83.01399	0.9
85.02950	3.4
87.00876	0.7
88.98778	0.9
89.02436	32.0
92.22461	0.9
95.01356	0.7
97.65602	0.5
99.04575	0.7
101.02435	17.4
113.02435	13.0
119.03480	12.0
161.04660	2.0
179.05611	8.0
183.13896	0.7
197.38290	0.6
330.11725	0.6
332.35251	0.7
415.05942	0.5
420.14862	0.7
422.10669	0.6
449.30728	6.2
467.31802	0.9
534.75409	0.6
629.37012	100.0
689.39166	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60391	0.6
56.61045	0.7
56.70169	0.6
56.96379	0.6
57.03445	1.0
59.01384	100.0
69.03437	0.8
71.01380	38.9
71.05023	4.5
72.64573	0.6
72.99287	0.8
73.02942	35.8
82.07290	0.6
83.01398	6.8
85.02943	14.7
87.00844	1.0
89.02442	20.0
92.23090	1.5
95.01382	4.8
96.95997	1.3
97.91582	0.7
99.00887	1.1
101.02441	36.1
113.02442	31.1
113.06093	9.8
119.03485	7.5
125.02402	1.0
126.72408	0.7
129.04021	0.7
131.03499	3.3
143.03487	3.4
149.04614	2.6
161.04562	9.4
179.05685	1.2
221.06720	4.0
237.65764	0.7
342.69562	0.8
361.65170	0.8
423.29037	4.7
449.30539	9.1
467.31882	1.3
467.62585	0.8
585.34235	5.1
603.33295	1.4
611.35919	33.1
629.37109	31.9
632.72058	0.9
641.08832	0.8
645.36786	6.1
647.37744	3.7
671.38141	42.1
689.39148	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	689.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34019	0.9
56.53242	0.9
57.03436	1.4
59.01383	100.0
71.01013	1.7
71.01381	32.0
73.02941	28.0
83.01379	8.1
85.02942	16.3
89.02443	18.3
95.01427	4.7
101.02443	34.0
107.48888	1.1
108.51415	1.1
113.02441	29.8
119.03500	9.3
125.02486	1.3
125.73386	1.1
131.03485	2.3
143.03471	1.7
149.04611	1.5
161.04541	6.8
175.44405	1.2
179.05634	2.7
189.37538	1.2
221.06688	1.4
252.08424	1.3
293.40231	1.2
297.31003	1.2
467.31400	1.7
555.62726	1.5
595.98596	1.5
611.35870	19.6
629.37030	67.7
647.38062	16.1
671.37988	8.8
689.39215	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	691.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02199	1.5
51.34568	1.5
59.01367	4.0
62.81779	1.7
69.05083	1.5
72.99304	2.8
73.02930	3.0
75.00861	13.7
81.03465	2.1
99.00865	9.8
99.04503	8.3
102.64520	1.8
117.03456	6.9
120.06159	1.7
130.72218	1.8
134.03738	62.3
143.03503	11.2
148.31166	1.8
149.06071	12.8
160.35944	1.7
161.04550	18.0
172.29955	1.9
179.03999	2.1
179.05600	72.2
193.05069	100.0
254.60199	1.8
341.57346	1.7
355.10370	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	691.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24319	0.7
57.03443	1.3
58.69334	0.7
59.01106	1.0
59.01385	19.5
65.12079	0.7
71.01371	13.6
71.98706	0.8
72.21600	0.9
73.02937	1.1
81.52774	0.8
83.01388	0.9
84.35438	0.8
85.02929	1.1
85.91547	0.9
87.00880	2.0
89.02421	12.3
97.02939	1.3
101.02427	11.7
109.10241	0.9
113.02435	5.9
113.09721	11.8
119.03509	2.1
125.02442	5.3
131.03526	1.0
135.00687	0.9
136.81830	0.8
139.11375	1.4
167.10783	3.2
179.05609	2.1
179.10811	1.6
185.11787	1.6
195.13951	1.5
235.08194	3.8
249.22205	3.1
293.21262	100.0
397.13556	41.3
415.14532	17.3
458.71286	0.9
691.35492	33.9
691.46393	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	691.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	19.8
66.36280	1.2
66.36761	1.0
71.01381	11.7
71.97832	1.0
73.02935	1.3
85.02959	1.3
89.02436	12.8
101.02431	11.9
113.02440	4.5
119.03481	2.0
125.02413	4.4
127.31390	1.1
143.03546	1.8
185.11830	10.0
197.11853	1.8
221.06825	1.4
230.66791	1.1
235.08141	1.3
275.73331	1.2
293.21255	100.0
380.80362	1.2
397.13528	35.2
415.14664	13.6
470.88220	1.3
567.55225	1.3
681.86133	1.3
683.60724	1.3
691.35352	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	691.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03470	1.3
59.01379	21.2
71.01368	12.6
73.02959	2.5
85.02962	2.5
87.00887	1.4
89.02430	22.9
97.02958	1.6
101.02457	12.5
106.57716	1.6
111.04533	2.0
113.02448	7.2
113.09726	19.2
119.03501	5.5
125.02420	2.6
161.04521	2.0
167.10789	2.0
179.10672	1.9
195.13914	2.5
235.08321	2.4
249.22229	2.4
253.74455	1.3
284.99054	1.3
293.21268	100.0
319.91962	1.3
397.13589	48.9
415.14691	18.5
475.76953	1.4
562.32446	1.6
576.66785	1.6
691.34979	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	691.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79979	0.6
55.01860	0.6
56.15297	0.7
57.03456	1.3
59.01380	56.1
61.93752	0.7
65.09626	0.6
69.70389	0.7
71.01376	25.5
71.05023	1.8
72.99315	0.9
73.02946	4.3
81.03451	1.2
83.01378	4.0
85.02946	4.7
87.00880	5.0
89.02438	33.4
95.01382	2.9
97.02939	4.7
99.00901	1.9
99.04489	3.5
101.02437	29.1
113.02442	14.4
115.53126	0.8
119.03506	7.4
125.02448	10.3
131.03519	1.5
143.03496	3.4
161.04541	8.2
173.64760	0.8
179.05605	4.8
205.16020	0.8
209.15536	1.1
221.06622	1.5
223.17044	4.0
231.21092	0.8
235.08287	7.7
235.17046	22.3
253.09294	3.5
275.20239	17.9
287.07666	1.3
293.21262	71.1
293.56128	1.1
305.08878	3.4
397.13538	100.0
402.01804	0.8
415.14624	41.4
415.20224	1.5
631.38550	5.7
691.35370	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	691.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49424	0.9
57.03449	2.4
59.01380	83.8
61.98822	4.2
71.01377	49.0
71.05013	1.8
72.99268	0.9
73.02935	7.3
76.32124	1.1
81.03477	1.4
83.01373	5.4
85.02953	9.6
87.00865	7.6
89.02436	59.3
93.71648	0.9
95.01357	1.7
97.02950	4.0
99.00871	2.3
99.04504	1.3
101.02432	39.1
111.04518	1.4
113.02429	25.4
119.03487	15.4
125.02406	11.4
130.58809	0.9
131.03468	1.6
143.03499	5.5
149.04471	1.1
161.04564	8.5
179.05611	12.8
185.04420	1.0
209.15501	1.1
223.17003	5.7
231.21101	1.5
235.08244	8.6
235.17046	21.6
253.09422	1.7
275.20172	21.3
287.07730	1.6
293.21255	67.3
293.24539	2.3
299.30569	1.0
339.43408	1.0
377.34497	1.2
397.13538	100.0
415.14618	40.5
631.38586	4.7
691.41473	21.7
699.22900	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18758	1.1
54.01168	1.1
56.34132	1.4
56.94825	1.3
57.03445	7.1
59.01383	80.4
66.00040	1.2
71.01379	25.3
73.02950	6.3
83.01385	2.3
85.02976	4.8
87.00889	1.5
89.02431	24.6
91.60641	1.5
97.02936	1.7
99.04520	9.0
101.02442	26.1
113.02448	12.1
119.03522	11.0
125.02448	6.2
161.04482	1.6
195.13885	14.0
196.14679	2.8
223.13391	7.9
235.08174	3.0
253.09250	1.7
256.13251	1.7
275.20093	8.6
293.21265	100.0
306.76245	1.5
346.71100	1.6
397.13510	31.6
415.14594	38.9
415.19800	2.3
547.35522	2.0
631.38629	48.7
647.35913	2.3
691.35107	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	691.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	6.7
57.94333	2.7
59.01104	5.5
59.01382	100.0
63.04619	2.4
71.01394	36.8
73.02955	5.3
74.82063	2.3
83.01385	3.3
85.02943	11.6
87.00853	4.2
89.02440	43.7
89.80601	2.7
92.23163	3.1
101.02441	40.5
108.49644	2.8
113.02456	22.8
119.03524	5.3
121.10236	6.4
125.02470	6.0
131.54292	3.1
143.03493	4.4
171.10260	17.5
173.35428	3.2
179.05486	3.1
231.21199	4.5
235.08328	6.9
235.17068	34.6
246.49083	3.0
275.20203	71.4
293.21225	90.6
397.13559	97.4
399.80270	3.0
415.14523	44.7
510.15350	3.4
565.58820	3.3
631.38440	26.5
673.34637	14.5
691.39447	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	691.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
69.03464	1.1
71.01368	17.0
73.02943	15.2
75.48974	1.0
83.01380	2.6
85.02937	2.4
89.02436	19.2
95.12912	1.0
96.97903	1.3
97.02950	1.0
101.02441	19.6
113.02426	10.2
115.45789	1.0
119.03500	5.5
125.02477	2.2
140.01045	1.3
161.04637	4.1
165.75539	1.3
179.05702	1.1
195.13931	6.6
218.27203	1.1
253.40231	1.5
275.20172	6.8
293.21228	48.0
397.13638	14.2
415.14606	21.9
631.38531	18.2
649.39978	2.3
691.41669	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	691.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43481	0.4
57.03440	4.3
59.01381	100.0
71.01377	22.2
73.02940	22.1
73.58669	0.6
83.01379	4.3
85.02937	9.2
86.60752	0.6
87.00892	0.9
89.02441	15.4
93.46120	0.5
93.47997	0.5
95.01383	3.2
95.76236	0.6
99.04507	4.1
101.02435	22.2
113.02439	19.5
113.06058	0.7
113.43559	0.5
119.03491	4.2
125.02415	2.7
131.03485	1.3
140.14983	0.8
143.03491	2.0
149.04539	2.4
161.04555	6.9
179.05603	2.7
185.76808	0.7
221.06647	2.5
299.05453	0.7
311.22198	0.9
529.33411	0.8
631.38470	23.5
647.33673	2.6
649.39612	15.3
691.40656	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	691.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.5
59.01382	100.0
59.98568	1.0
69.51442	1.1
71.01376	33.1
73.02937	26.0
73.90451	1.0
76.67268	1.0
83.01374	6.0
85.02969	8.4
87.00830	1.5
87.04484	1.0
87.07278	1.0
89.02431	32.3
95.01381	2.3
101.02436	36.8
103.35673	1.1
113.02434	25.0
113.40017	1.1
119.03478	12.7
125.02470	1.6
131.03529	1.5
143.03506	1.5
161.04527	5.4
179.05647	2.2
188.02376	1.1
221.06708	1.2
257.32361	1.1
291.11520	1.4
293.21207	2.6
379.15903	1.2
411.28885	1.5
471.31131	1.7
485.33066	2.7
487.34235	8.0
631.38586	87.8
649.39661	36.6
691.40704	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	691.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70232	0.6
54.56175	0.5
57.03449	0.8
59.01380	48.2
65.29361	0.7
65.38605	0.5
71.01375	16.0
72.66821	0.6
73.02939	1.2
75.60596	0.6
80.53802	0.5
83.01398	0.8
85.02932	3.2
87.60973	0.5
89.02432	22.4
89.02956	0.9
95.01370	0.8
101.02443	15.5
113.02450	9.4
119.03473	9.0
157.18507	0.6
161.04549	1.0
183.13873	1.0
293.21255	5.9
397.13687	1.3
415.14484	1.4
469.33041	0.8
501.28516	2.6
601.33917	1.3
631.38593	100.0
691.39575	4.0
714.70868	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07911	0.6
55.01869	0.8
57.03443	3.4
58.00587	0.9
59.01383	99.1
60.14335	0.7
71.01379	48.5
72.99311	1.2
77.15302	0.8
83.01357	3.4
85.02940	8.0
87.00854	1.6
89.02440	69.2
91.44419	0.8
95.01380	4.1
96.78208	0.8
97.05782	0.8
99.00847	1.2
99.04497	3.9
101.02441	31.5
113.02437	23.0
119.03495	26.5
125.02438	3.5
131.03542	1.4
143.03462	3.5
159.10194	1.0
161.04552	5.4
164.47185	0.8
179.05621	21.2
183.40144	0.8
248.52524	0.8
287.30826	1.0
287.44272	1.0
631.38611	1.8
691.40704	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	691.407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
55.71655	0.6
57.03436	0.9
59.01383	100.0
59.73980	0.5
62.05174	0.5
71.01379	31.3
72.99301	0.9
73.02944	22.6
83.01395	5.4
85.02943	9.7
89.01947	1.1
89.02438	19.8
95.01393	4.3
100.96737	0.6
101.02434	26.2
113.02440	25.6
114.03499	0.7
114.12041	0.6
119.03500	9.0
125.02448	0.9
131.03493	1.4
143.03476	1.5
149.04535	1.2
152.22327	0.7
161.04564	6.5
179.05661	7.7
221.06598	1.5
347.27692	0.7
631.38538	44.9
649.39697	12.9
691.40771	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	691.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
57.03445	2.2
59.01381	100.0
69.61837	0.4
71.01378	14.1
73.02937	7.3
83.01395	2.6
85.02937	8.1
89.02431	5.3
89.05376	0.5
92.23163	0.9
95.01385	1.1
99.00849	1.7
101.02437	12.5
112.71620	0.5
113.02444	10.9
119.03535	1.6
125.02476	0.8
141.23866	0.5
159.02943	0.6
161.04521	3.4
283.02319	0.5
299.05420	0.5
307.88660	0.5
439.32016	0.9
487.34137	0.7
500.90079	0.5
627.67987	0.5
631.38568	20.0
647.32874	0.7
648.38513	1.2
649.39581	11.1
664.97272	0.6
667.89050	0.6
691.40607	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	691.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02485	0.7
50.54142	0.6
59.01381	100.0
59.14967	0.8
62.24884	0.7
71.01377	51.0
72.99315	3.1
73.02935	3.3
83.01397	1.8
85.02939	9.4
87.00869	4.0
89.02435	75.2
95.01395	3.5
95.03535	0.8
97.02944	1.7
101.02440	30.9
113.02435	25.1
119.03485	22.2
125.02444	3.1
131.03474	1.7
142.79332	0.8
143.03484	4.6
149.04570	1.2
154.50842	0.9
161.04544	7.8
179.05595	25.4
209.00932	0.9
214.39500	0.8
235.17108	4.4
275.20190	5.1
293.21317	15.5
305.08545	1.0
397.13528	20.9
415.14508	8.9
631.38843	1.5
655.29492	1.1
691.40826	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	692.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	16.1
61.98832	100.0
63.79482	0.8
69.71929	1.0
71.01378	4.5
75.67552	0.9
87.00873	1.3
89.02444	7.5
92.33744	1.2
98.21779	0.9
99.04490	1.4
101.02443	5.2
113.02447	1.3
119.03468	2.1
124.01801	1.2
125.02379	1.6
132.52107	0.9
189.18713	1.2
195.13913	1.8
223.13507	1.2
236.86699	1.0
293.21259	10.8
294.21564	11.8
303.75394	1.2
397.13754	2.1
398.13751	1.7
415.14529	4.2
416.14920	2.4
467.88898	1.2
517.60767	1.3
594.58508	1.1
632.38763	12.7
692.35876	12.5
711.97931	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	693.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49893	1.1
58.02797	1.2
64.99820	1.1
65.34907	1.2
86.16977	1.2
92.23119	2.2
97.98711	1.5
255.02953	8.9
283.02496	98.6
283.05652	3.2
284.03177	3.1
294.35025	1.4
298.04855	100.0
299.05652	3.5
517.36823	1.4
560.60065	1.5
607.52209	1.4
624.06793	1.6
649.17877	99.8
707.24921	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	693.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18646	0.6
58.80178	0.6
59.01379	7.9
61.47012	0.6
71.01372	3.9
73.02925	1.2
75.00881	1.5
81.53737	0.6
84.64913	0.6
85.02934	5.1
87.00854	1.2
89.02438	1.3
94.70260	0.7
99.00858	2.9
101.02441	1.6
113.02451	6.5
123.14483	0.6
133.02989	1.1
134.03694	1.0
145.03014	1.7
148.37788	0.8
149.06055	1.6
151.03990	1.6
160.01601	0.9
175.03969	5.5
178.02733	1.2
193.05043	9.4
193.06717	1.1
197.05476	0.8
211.03925	3.1
224.04834	3.2
227.07109	6.4
239.03575	4.9
239.07162	1.7
240.04373	6.5
249.06096	2.9
255.06651	25.8
267.03003	13.7
267.07263	1.7
268.03815	14.8
282.05368	43.1
283.06140	100.0
365.40668	0.7
445.11496	3.2
471.95197	0.8
487.12509	53.4
531.15228	7.2
687.41589	0.9
693.26849	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	693.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89148	1.9
57.03453	45.6
59.01380	15.1
66.71680	2.5
70.91010	2.2
71.01384	17.5
73.14435	2.3
74.99063	3.4
85.02952	17.0
87.78612	2.5
89.02441	5.2
91.02203	61.7
92.23145	2.4
99.04511	26.7
101.02439	5.5
106.06625	4.0
113.02450	39.7
125.02448	12.1
143.03482	11.4
161.04562	5.1
165.04048	4.4
187.04332	3.9
190.20917	2.6
223.02823	34.6
235.06409	15.8
239.05983	4.3
277.07507	3.2
295.22839	5.9
297.04529	4.8
313.07803	10.6
379.10724	57.9
483.20264	3.9
497.20627	3.0
525.20459	11.3
539.22186	5.4
540.22046	4.3
567.21783	3.0
599.24329	4.2
643.23163	100.0
661.23926	14.1
693.27136	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	693.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08664	0.9
63.09520	0.7
69.78220	0.9
71.01367	1.6
74.02452	1.4
87.94846	0.8
101.02464	1.1
116.03553	1.2
131.07097	6.3
134.03738	19.7
137.02423	1.7
149.06082	18.6
160.01610	8.7
161.02472	3.8
163.04095	0.9
173.08116	1.3
175.04010	46.6
176.04738	1.7
178.02725	27.8
191.07181	4.8
192.04323	1.5
193.05072	100.0
203.08281	5.1
235.06133	3.0
245.09332	7.8
248.99820	0.9
250.46671	1.0
317.03503	4.0
337.09406	9.1
531.15131	69.2
573.16370	1.7
693.20575	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	693.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.5
64.48055	0.6
67.01880	0.8
71.01356	1.5
73.02923	0.8
73.35555	0.6
83.07392	0.6
85.02943	7.7
87.00867	1.1
88.00447	0.6
96.50779	0.7
97.02922	0.8
101.02420	0.7
104.22852	0.7
107.21669	0.8
113.02456	1.4
119.05015	57.6
129.01881	2.8
132.02051	0.7
134.03729	7.6
136.64508	0.7
138.63000	0.7
145.02936	3.9
149.06046	5.7
160.01649	14.0
161.02464	5.9
163.04005	100.0
175.03996	56.0
177.05547	1.6
178.02693	4.3
179.03439	1.3
179.15681	0.7
191.05554	4.7
191.07068	0.9
193.05078	22.6
235.06152	1.2
305.65399	0.8
323.07407	1.0
337.09341	10.5
501.14056	38.8
531.14893	8.4
693.20233	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	693.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01101	0.3
59.01382	7.2
71.01376	2.2
72.82806	0.2
73.02945	1.7
79.31090	0.2
80.36986	0.2
81.90004	0.2
82.33792	0.2
83.01381	0.8
85.02944	1.3
87.00871	0.2
89.02435	1.6
92.23146	0.2
95.01353	0.2
101.02439	2.2
113.02438	2.9
119.03481	0.4
121.24574	0.2
158.43608	0.2
161.04543	0.4
169.76080	0.2
175.03983	0.3
259.12488	0.2
267.07294	0.4
268.03784	21.6
275.39493	0.2
283.06128	100.0
298.04782	0.5
633.40051	2.8
651.40594	1.6
693.24756	2.1
693.42224	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	693.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26188	0.7
53.39785	0.7
57.03433	4.3
59.01362	6.1
68.99805	1.1
69.03453	3.5
71.01375	9.1
72.99287	1.8
79.27150	0.7
80.10245	0.8
83.01390	1.4
85.02951	19.0
87.00845	5.5
87.04489	1.2
97.02940	7.2
99.00886	8.0
101.02410	1.4
111.00857	3.3
113.02404	4.5
115.03963	3.3
119.05016	32.8
129.01949	10.9
132.02063	0.8
134.03697	5.2
139.64864	1.0
141.01869	4.0
145.02943	12.5
149.06049	2.2
159.02907	1.4
160.01662	7.4
161.02481	8.9
161.05940	1.2
161.23830	0.9
162.99654	0.9
163.04012	64.9
164.43094	1.0
175.03998	36.2
177.05563	1.0
179.03462	2.1
186.89456	0.9
191.05469	4.2
193.03413	0.9
193.05063	19.5
205.05020	1.3
209.06577	5.5
227.07098	1.3
239.03413	1.0
239.06952	1.4
255.06474	5.0
267.02859	5.2
268.03705	3.5
282.05383	10.1
283.06104	21.2
299.01846	1.1
337.09128	4.8
349.13858	1.2
487.12485	14.7
501.14215	8.5
531.14996	6.6
536.71045	1.1
693.20093	100.0
709.56366	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24509	0.5
51.75705	0.5
55.25315	0.6
57.03426	2.5
59.01370	1.5
65.18604	0.6
68.99799	0.6
69.03450	2.5
71.01369	3.5
71.26147	0.6
72.99303	1.0
73.02897	0.6
75.01994	0.5
75.27667	0.7
83.01386	1.4
85.02951	13.8
87.00856	4.0
87.04515	1.2
97.02943	6.4
99.00856	6.3
103.30199	0.7
111.00845	2.4
115.03977	3.1
119.05021	26.6
129.01933	10.5
134.03688	3.4
135.04533	1.2
141.01935	1.3
145.02916	5.7
149.06116	1.1
160.01628	2.9
161.02431	11.9
161.06053	0.8
163.04004	47.7
173.51648	0.7
175.03995	20.0
176.75319	0.7
177.05548	3.3
179.03513	1.5
187.07545	0.8
191.05617	5.4
193.05054	7.9
205.04976	1.0
209.06689	15.4
211.13670	0.6
217.04959	0.7
235.06210	1.0
244.43575	0.7
323.07666	2.4
330.40479	0.7
337.09464	4.5
339.12277	0.8
341.12888	0.9
355.10464	2.8
408.20135	0.7
501.14261	3.5
517.15588	4.6
643.16504	0.9
693.20374	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	693.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18422	0.6
57.03449	0.9
57.37957	0.7
59.01376	1.5
59.18143	0.8
71.01356	0.9
75.00863	10.0
77.70145	0.8
80.28331	0.8
85.02953	4.0
87.00889	1.9
89.02419	1.6
95.73479	0.8
95.86041	0.7
99.00888	4.9
101.02483	1.0
115.04041	1.0
119.05025	25.7
128.59003	0.9
129.01941	15.7
135.04507	3.4
137.02423	2.0
159.03046	1.7
163.04016	80.3
175.06055	3.2
177.04073	6.4
193.05028	1.6
195.05109	100.0
203.08183	0.9
207.08733	1.1
219.36722	0.8
261.08813	4.0
266.48093	0.8
267.76535	0.8
313.82187	0.9
341.08798	63.2
351.12817	1.5
387.09412	3.8
412.41269	1.1
460.46130	0.9
475.22754	0.8
517.16113	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34455	0.6
56.56504	0.7
57.02671	0.7
57.03434	3.0
59.01377	12.9
64.07199	0.6
68.89757	0.7
71.01373	8.4
72.89787	0.8
72.99298	1.1
73.02923	0.9
75.00866	5.2
76.70948	0.8
85.02937	8.4
87.00860	3.3
89.02430	4.2
92.23083	1.1
95.01379	1.9
96.50434	0.6
99.00884	5.6
101.02414	0.8
103.00369	1.3
108.83493	0.8
113.02445	23.6
114.88404	0.7
115.00398	0.8
117.01921	0.7
129.01907	1.2
134.03775	8.0
136.95218	0.9
149.06065	1.5
160.01723	1.4
161.02443	1.2
161.09685	1.3
161.13362	1.3
175.02539	1.6
175.03961	10.5
187.11336	1.2
193.05067	12.7
193.30522	0.9
205.12378	1.0
207.05016	1.4
209.72159	0.8
223.13507	0.9
228.23508	0.9
229.86876	0.9
249.06120	12.7
267.07178	44.5
283.02756	1.2
283.06094	7.7
298.04733	1.4
443.11740	4.2
517.19440	4.6
693.24042	100.0
724.74060	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2521
Annotation	Landomycin Q
Peak:m/z	Relative Intensity
58.02982	4.8
59.01382	3.5
64.89155	0.6
70.02972	10.7
71.01383	2.4
72.04529	0.6
73.02917	0.7
74.02469	31.7
81.62154	0.7
89.02449	1.1
89.43094	0.6
92.23223	0.6
98.02456	5.1
101.02394	0.7
116.03532	16.5
116.05028	6.3
134.03716	2.3
147.04568	0.8
149.06110	1.6
159.09258	1.3
161.02470	3.4
172.40987	0.7
175.03987	5.5
178.02734	3.6
179.03493	0.9
179.10739	1.2
193.05075	7.0
201.10355	6.1
203.08275	56.7
207.06604	0.7
245.09322	100.0
275.76813	0.7
288.38379	0.7
289.08368	5.7
337.09235	0.9
382.21866	0.7
382.60208	0.7
403.16351	3.4
527.15985	0.8
531.14917	6.6
693.19440	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40364	1.6
52.82265	2.0
59.01379	11.6
68.84820	2.0
71.01009	4.1
71.01376	81.6
87.04881	2.5
112.26918	2.3
116.92816	2.8
133.93123	2.2
188.07185	3.6
458.20914	2.7
459.22592	2.8
461.23386	4.4
462.23914	4.1
473.23355	13.9
474.24490	8.6
489.19321	4.7
499.21262	11.7
500.22235	45.7
528.22046	3.8
559.23523	5.8
561.21155	3.3
603.22943	3.5
621.23590	100.0
661.24866	3.3
675.51080	3.1
693.25806	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	693.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75717	0.5
57.03445	0.7
59.01381	15.5
68.99793	0.7
71.01370	14.1
83.01356	0.7
83.58533	0.5
85.02943	13.0
87.00853	3.5
89.02433	6.7
89.37006	0.5
91.03986	0.7
92.72141	0.5
95.01363	2.7
95.04996	0.7
101.02422	3.8
111.00845	1.0
113.02440	25.4
119.03445	0.6
129.01921	2.6
131.03506	0.6
134.03755	0.9
139.00374	1.3
154.29884	0.6
161.13359	15.0
163.04030	0.7
175.04030	1.0
179.75485	0.6
187.11284	6.1
193.05011	1.1
205.07208	3.3
205.12350	11.2
249.06174	2.9
249.11328	2.6
263.07693	4.9
281.08810	10.5
469.20535	2.5
513.19641	3.9
531.14966	0.8
559.72107	0.6
560.90411	0.6
625.78821	0.8
693.26172	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39823	0.2
59.01384	1.1
62.22412	0.3
66.14349	0.2
69.27707	0.2
70.05566	0.2
70.39979	0.3
71.01379	0.4
73.02950	1.3
75.00877	2.9
81.03454	1.5
85.02958	0.3
87.00874	2.4
89.02441	0.3
99.04504	2.0
119.05016	29.4
138.45633	0.3
143.03534	0.5
145.02922	0.3
154.99542	0.3
161.04559	7.1
163.04012	100.0
164.04276	0.4
179.05608	3.1
195.05060	0.4
246.77022	0.3
325.09332	33.1
341.08926	2.0
443.11624	0.3
693.18658	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33385	0.2
59.01378	2.0
67.48577	0.3
71.01379	1.1
73.02940	1.5
75.00869	6.1
81.03469	1.6
87.00872	6.5
89.93430	0.2
94.88182	0.2
99.00856	0.4
99.04520	2.5
101.02443	0.4
113.02474	0.3
119.05017	34.7
124.66203	0.3
125.74106	0.3
143.03476	1.2
143.07239	0.3
145.02966	0.6
161.04552	9.9
163.04010	100.0
179.05623	11.3
193.05098	0.4
231.35121	0.3
235.11902	0.5
280.89386	0.3
325.09323	49.8
367.16147	1.7
554.63055	0.3
653.40466	0.3
693.23248	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85274	0.7
54.60220	0.5
57.03454	4.6
59.01105	0.8
59.01383	17.8
64.44805	0.5
69.03458	0.7
70.91046	0.6
71.01371	8.5
72.99304	2.5
73.02942	3.4
75.00874	9.7
78.76853	0.5
83.01399	0.9
85.02943	14.0
87.00862	4.9
89.02441	3.1
90.01620	0.6
91.71037	0.6
95.01372	3.7
99.00871	8.3
101.02448	5.0
103.00391	0.9
111.00877	0.8
113.01661	0.8
113.02448	19.0
115.00385	0.6
116.92861	0.6
117.01897	0.8
119.05011	1.3
131.61792	0.6
134.03775	1.5
145.10194	0.7
149.06100	1.0
151.03992	5.8
160.01691	0.6
161.04623	0.9
163.04022	3.3
163.11279	1.0
175.02602	0.8
175.04012	4.2
177.13962	0.7
178.02672	1.5
187.11269	0.9
193.05075	6.8
193.07199	9.2
205.07172	0.8
205.12338	3.1
207.05165	0.9
207.10265	7.9
231.05177	1.1
249.06186	11.5
267.07166	9.9
283.10693	0.6
295.11081	0.7
295.91125	0.6
337.09274	0.8
347.71436	0.7
349.14136	2.5
357.13425	2.4
457.17313	0.8
501.14087	1.2
511.19666	0.8
531.14886	5.7
633.21906	2.8
651.22754	1.2
693.26276	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82473	1.5
51.04266	1.7
52.01183	1.5
57.03240	1.6
57.03456	30.8
59.01381	11.9
65.95471	1.5
71.01384	12.6
71.95278	1.7
74.99071	2.4
76.75373	1.8
85.02940	10.7
89.02431	3.5
91.02209	35.0
93.00113	3.6
95.57004	1.7
96.64463	1.7
99.04505	22.3
101.02441	10.9
105.50889	1.9
106.06616	3.8
113.02428	27.3
119.03474	2.5
120.47447	1.8
125.02429	13.0
131.06125	8.1
143.03508	12.2
161.04501	9.1
165.04112	3.0
223.02797	22.5
235.06396	4.8
239.05942	4.7
240.54863	2.2
263.13135	2.0
295.22812	8.0
313.07922	8.5
379.10715	41.7
485.20700	2.6
511.23193	2.2
524.19220	2.2
525.20581	8.1
527.97827	2.2
529.20160	4.0
539.21729	10.6
557.21747	2.5
567.21429	10.5
599.24030	3.8
633.40417	3.2
643.23254	100.0
661.23993	14.9
693.27045	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	693.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35414	0.7
53.64362	0.8
59.01381	7.5
71.01357	4.0
73.02975	1.0
75.00864	1.2
75.87211	1.0
83.04988	1.1
85.02940	1.6
99.00909	1.2
101.02396	2.3
113.02445	4.2
119.05029	7.0
136.01649	4.7
149.06088	1.2
151.04015	21.5
160.21602	1.0
161.02437	4.1
163.02774	0.9
163.03961	7.7
175.03984	7.7
179.03418	1.6
187.11395	1.2
193.05043	1.8
221.76891	0.9
227.11978	1.3
229.09766	1.4
243.11295	9.0
244.08574	2.1
244.12148	9.3
245.09303	1.6
255.11371	6.6
257.09311	30.2
259.10797	12.1
260.11786	2.1
272.11697	35.0
273.12442	3.4
275.10410	25.5
289.09726	2.0
290.12817	24.7
295.10745	1.1
316.10745	11.1
327.12427	1.1
331.13104	5.8
334.11777	14.7
349.14069	100.0
357.13422	7.3
445.15887	1.0
501.13776	6.0
511.19720	1.9
553.76294	1.2
617.26160	9.8
661.24768	2.2
693.26740	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	693.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42970	0.5
55.31268	0.5
55.93190	0.6
57.03447	0.8
57.55052	0.5
58.68471	0.5
59.01382	4.3
60.63044	0.5
71.01379	2.9
75.00853	1.1
81.88906	0.9
84.42915	0.7
85.02945	2.8
89.02445	0.9
93.97832	0.6
94.03004	7.1
95.01356	0.7
96.95976	0.6
101.02427	1.3
103.78059	0.7
113.02409	5.2
119.04987	0.6
119.09651	0.6
138.05603	1.5
163.04080	0.9
175.04060	1.2
207.67801	0.6
217.04485	0.6
249.06146	1.3
263.08264	1.0
267.07288	4.0
277.09903	1.3
278.10553	1.1
291.07874	3.3
305.09436	6.0
306.10117	31.2
307.10849	6.1
321.12564	7.4
337.11801	2.8
338.08878	2.8
338.12848	3.8
350.09097	100.0
351.10260	1.4
365.11517	8.2
370.11826	1.1
384.13293	0.8
386.15231	1.2
390.14673	2.8
398.15231	3.2
400.17004	0.9
404.16025	0.9
410.15219	0.8
412.13104	3.8
414.14700	5.9
416.15991	6.5
418.18164	1.0
427.15524	2.4
428.16238	5.9
430.13986	8.8
444.15735	3.7
445.16476	15.6
446.17218	7.4
448.14914	0.9
460.18835	3.2
477.15634	3.2
478.19653	1.3
489.15466	3.3
490.16238	11.9
521.18805	1.1
537.21112	1.0
585.23999	3.5
599.25519	0.8
617.26196	3.8
629.22748	3.1
649.28741	1.4
661.25262	50.9
673.66406	0.8
693.27844	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	693.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84343	1.3
54.86991	1.3
57.03447	2.4
57.39536	1.3
59.01382	38.2
61.98845	1.9
69.64214	1.8
71.01382	20.7
73.02936	2.2
81.91388	1.6
84.12696	1.5
85.02936	3.3
85.09594	1.6
89.02441	27.4
99.04527	1.9
101.02416	15.7
113.02418	6.4
115.18887	1.9
119.03500	7.4
125.02425	3.6
161.04601	2.8
166.25891	1.9
179.05591	3.2
189.81627	1.6
195.13939	18.2
250.54872	1.8
277.21713	19.3
283.02444	3.7
295.22815	100.0
298.04794	2.3
300.93079	2.0
337.16855	1.7
393.42685	1.9
397.13528	15.4
415.14587	26.2
474.97043	1.9
610.04218	1.8
633.40106	6.5
649.18469	2.1
693.41663	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	693.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	18.9
61.75610	0.5
67.31541	0.5
67.46339	0.6
71.01377	13.3
73.02926	1.1
74.86892	0.6
83.01394	0.6
85.02955	2.7
87.00909	0.7
89.02441	16.6
97.02940	2.3
99.00896	0.9
101.02441	12.9
113.02460	5.2
113.09785	0.8
119.03516	2.1
125.02442	3.7
143.03552	0.7
161.04518	1.2
168.32571	0.6
171.10283	13.4
179.05682	1.3
191.32025	0.6
195.13921	16.6
221.06711	0.7
235.08220	2.8
277.21735	28.7
291.98901	0.7
293.21176	0.7
295.22818	100.0
348.74185	0.7
397.13547	29.8
403.93433	0.7
415.14600	26.6
516.50867	0.7
610.88959	0.6
664.03040	0.7
675.36346	0.9
693.37000	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	693.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86579	1.9
56.60437	2.1
58.87357	2.0
59.01379	38.2
71.01373	21.5
73.02952	2.0
85.02959	2.7
86.52760	2.2
87.00846	3.6
89.02434	29.7
95.01451	2.2
101.02440	26.6
110.34499	2.0
113.02457	8.8
119.03497	5.3
125.02419	9.5
131.03497	2.0
161.04488	3.1
171.10249	42.2
185.46402	2.5
235.08336	4.2
247.44357	2.2
277.18988	4.0
277.21759	70.8
295.22833	100.0
338.72861	2.3
397.13522	75.6
415.14590	29.9
596.63208	2.7
693.36804	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	693.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07398	0.2
55.01875	0.4
57.03451	0.7
58.00596	1.7
59.01381	79.7
59.22382	0.3
71.01376	41.4
71.09766	0.3
72.99307	1.6
73.02954	1.7
73.62908	0.3
81.58646	0.3
83.01389	1.4
85.02943	7.1
87.00857	0.6
89.02435	54.8
95.01377	3.3
99.00888	0.7
99.04465	0.3
101.02436	23.2
102.27081	0.3
113.02439	17.8
119.03487	19.6
131.03493	1.6
143.03476	3.0
149.04539	1.4
161.04510	3.7
179.05620	15.7
239.10484	0.4
377.68994	0.4
433.11783	0.3
466.80334	0.3
633.39551	0.4
649.36896	0.4
693.42261	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	2.3
57.67051	2.6
59.01105	4.2
59.01383	100.0
71.01382	15.7
73.02937	3.5
75.24388	2.4
79.39115	2.4
85.02953	5.5
86.65718	2.2
88.06744	2.2
89.02442	13.6
101.02438	17.7
113.02466	9.5
180.42880	2.5
204.58243	2.4
298.04852	4.4
307.07425	2.3
318.10876	2.4
348.74240	2.3
633.40155	35.6
693.42181	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	693.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47936	0.5
57.03461	0.6
58.00583	1.3
59.01382	70.9
61.55645	0.6
61.98521	1.2
61.98833	27.4
71.01376	32.2
71.11238	0.6
72.99300	1.1
83.01402	1.2
85.02934	6.8
85.16621	0.6
87.00853	0.7
89.02435	45.5
95.01377	2.8
101.02435	22.7
113.02444	16.0
119.03490	17.4
125.02431	0.7
131.03482	1.3
134.36888	0.6
143.03502	1.5
161.04512	1.3
179.05620	8.8
225.95502	0.6
260.20206	0.8
378.12216	0.7
633.39990	3.3
693.42285	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4222
Annotation	Pouoside F
Peak:m/z	Relative Intensity
55.01895	1.3
57.11043	0.8
59.01383	100.0
70.46347	0.8
71.01375	27.3
73.02939	19.0
83.01393	2.1
83.94077	1.0
85.02942	10.5
87.00887	0.9
89.02436	22.4
92.65270	1.1
95.01376	5.3
101.02441	22.7
113.02441	33.2
115.33241	0.9
119.03512	7.8
140.09395	1.0
143.03476	1.7
149.04637	1.1
157.73256	1.0
161.04561	10.5
179.05612	4.1
308.69278	0.9
410.46268	1.1
471.40781	1.1
633.40173	61.1
651.41241	34.2
693.42297	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	693.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92444	1.0
54.99050	1.0
57.03435	1.4
59.01382	100.0
70.69104	1.0
71.01375	23.9
73.02946	8.5
80.71032	1.1
83.01385	5.1
85.02928	9.0
85.49735	0.9
89.02439	13.2
94.50690	1.1
95.01388	2.4
99.00870	1.8
101.02436	18.9
113.02441	14.0
119.03468	7.5
129.11533	1.1
143.11539	1.3
161.04558	8.5
179.05644	1.5
298.04782	1.6
633.39819	51.4
651.40356	13.6
657.29779	1.4
693.24689	1.2
693.41827	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	693.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92085	0.4
54.30342	0.4
55.00851	0.4
55.01871	0.8
55.31427	0.4
57.03440	2.5
59.01382	100.0
60.38814	0.4
63.45077	0.4
69.93484	0.5
71.01377	38.2
72.99284	0.7
73.02940	23.3
73.03355	0.9
80.98553	0.6
83.01390	7.3
85.02946	15.6
87.00887	0.9
87.45911	0.5
89.02438	22.1
95.01379	5.6
97.02952	0.7
99.00871	1.3
101.02437	30.5
102.23392	0.5
113.02446	36.7
119.03495	8.9
125.02415	1.1
131.03508	2.2
143.03491	1.3
149.04555	1.1
161.04547	5.9
179.05615	2.1
194.50443	0.5
221.06622	1.1
283.02560	6.7
283.05490	0.9
298.04855	6.8
299.05682	1.3
471.34790	3.1
489.36172	2.0
498.65161	0.6
633.40161	58.6
649.17853	5.1
651.41248	27.2
693.42285	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	693.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42554	0.5
54.22378	0.5
55.01862	0.7
57.03441	4.2
59.01381	100.0
63.53505	0.6
71.01376	37.3
71.24393	0.6
71.93370	0.7
73.02549	1.3
73.02943	26.8
75.00867	1.6
78.57851	0.6
78.58377	0.7
83.01391	6.8
85.02947	16.0
87.00867	1.2
88.27085	0.9
89.02434	25.9
95.01389	5.0
99.00871	3.0
99.04520	3.5
101.02441	31.6
103.00376	0.9
113.02438	39.0
116.92883	0.7
119.03477	8.9
125.02463	1.4
131.03490	3.4
143.03497	1.5
149.04576	1.6
161.04584	8.3
163.35146	0.8
175.03987	4.3
179.05650	2.7
193.05046	3.4
221.06628	1.1
249.06235	1.5
267.07169	9.4
268.03827	5.5
283.02698	2.9
283.06094	25.8
298.04892	3.8
299.05606	3.1
311.81018	0.8
317.93634	0.7
517.20111	0.8
549.17010	1.2
551.72717	0.8
597.89624	0.7
633.40131	37.0
649.34656	1.1
651.40912	22.4
693.24323	21.3
693.42133	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	693.4219
Annotation	Pouoside F
Peak:m/z	Relative Intensity
54.42637	0.6
57.03455	0.7
57.50037	0.6
59.01382	78.0
62.43656	0.6
71.01381	38.3
71.01780	1.4
72.99313	1.4
73.02960	0.8
77.45125	0.7
78.95888	1.1
83.01382	2.9
85.02943	8.7
87.00886	0.7
87.78728	0.6
89.02439	56.3
95.01382	4.1
101.02437	23.1
113.02451	19.0
119.02686	1.2
119.03497	19.9
123.75385	0.7
131.03453	1.0
143.03465	1.6
150.69199	0.6
152.09995	0.6
152.99681	1.1
161.04521	4.1
179.05630	15.5
190.00241	0.7
421.79721	0.7
633.40015	1.4
693.42346	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71683	0.7
55.01895	0.7
57.03445	1.0
59.01382	63.2
61.98829	10.3
64.43938	0.6
71.01374	9.0
71.05029	2.9
73.02941	4.0
83.01397	1.1
83.30934	0.7
85.02946	6.4
85.03362	0.7
87.13217	0.7
89.02438	5.8
92.23095	1.3
95.01399	1.0
97.06561	1.4
99.00882	0.8
101.02442	12.2
113.02421	5.5
113.06086	1.1
119.03473	1.2
143.03532	0.9
161.04543	1.3
239.22147	0.8
269.99280	0.8
293.21259	1.3
294.21701	1.1
295.21994	1.2
298.80954	0.8
335.93347	0.7
354.24756	0.8
355.26349	1.7
513.73523	0.9
517.31470	6.9
615.39362	1.0
633.40088	100.0
689.84729	0.9
693.42517	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	693.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10660	1.3
55.68685	1.2
56.56498	1.3
57.03437	3.3
58.33729	1.4
58.85146	1.5
59.01381	100.0
60.12069	1.6
71.01368	12.5
71.96562	1.8
73.02940	7.1
82.99809	1.4
85.02940	6.4
87.45524	1.3
89.02442	3.2
92.22565	1.7
101.02431	14.3
103.96130	1.4
113.02452	7.8
125.02422	9.6
132.94308	1.7
153.78661	2.0
161.04578	3.3
234.43373	1.9
283.02408	11.8
298.04901	13.5
299.05673	17.8
301.23981	9.2
503.12158	12.0
548.07758	1.6
588.68903	1.7
633.40045	37.4
649.18420	2.6
649.34595	2.4
651.40234	2.9
693.42072	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	693.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21331	0.7
59.01384	100.0
71.01381	12.2
73.02944	4.0
73.41775	0.9
74.55301	0.7
83.01402	1.6
85.02937	6.3
89.02438	3.6
92.22493	1.7
94.19224	0.8
101.02441	10.0
101.59841	0.8
110.14651	0.9
113.02437	6.9
161.04536	5.3
176.90308	0.8
229.41351	0.8
298.04730	1.0
395.66504	0.8
462.62726	1.0
471.35275	1.2
489.35959	1.4
623.42291	1.0
633.40088	35.4
651.40607	4.6
693.42340	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	693.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.7
59.01382	100.0
66.55920	0.4
71.01379	7.7
73.02946	2.8
75.05131	0.3
81.85461	0.4
83.01394	1.5
85.02968	3.2
87.00858	0.6
87.87417	0.4
89.02454	0.5
99.00875	0.4
101.02427	6.0
110.49670	0.4
113.02451	4.4
116.08641	0.4
125.02465	0.4
131.06204	0.5
161.04565	3.7
262.98538	0.4
409.15927	0.4
471.34460	0.9
591.88495	0.5
621.23877	1.9
633.40125	24.1
643.22980	2.9
661.24835	0.7
677.39502	0.5
693.27258	4.5
693.42645	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	693.4227
Annotation	Pouoside F
Peak:m/z	Relative Intensity
50.28852	0.3
50.55839	0.3
53.57104	0.3
54.57003	0.3
59.01382	100.0
60.42822	0.3
67.07978	0.3
69.97031	0.4
71.01384	6.9
72.31002	0.4
73.02955	2.6
85.02958	3.6
87.00878	0.5
87.92018	0.4
94.22356	0.4
99.00875	0.7
101.02437	6.4
102.26895	0.4
113.02438	3.7
115.13461	0.4
152.99611	0.6
161.04604	2.1
181.44429	0.4
438.43271	0.4
533.04041	0.5
633.40540	0.6
651.41315	6.8
693.42133	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	694.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03947	0.4
56.33152	0.4
57.03452	0.7
59.01382	16.3
60.01709	0.8
61.98830	100.0
65.24984	0.3
71.01376	4.6
78.60033	0.3
85.02975	0.7
89.02434	5.6
90.02785	0.7
97.59676	0.4
98.99517	0.5
101.02436	4.3
108.67178	0.4
113.02428	2.0
119.03510	1.8
127.96254	0.4
130.17171	0.4
179.05609	1.8
333.92224	0.4
365.01440	0.4
632.38293	0.5
633.40155	1.7
634.40173	14.6
634.49896	0.7
650.38831	0.5
694.38989	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	694.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01761	0.2
53.38521	0.1
58.52050	0.2
59.01379	4.1
60.01719	0.3
61.01820	0.2
61.98830	100.0
68.34764	0.2
70.16420	0.2
71.01387	1.2
72.01715	0.2
74.10347	0.2
82.91475	0.2
89.02422	2.2
90.02765	0.2
91.02921	0.2
101.02449	1.0
103.02940	0.2
113.02441	0.4
119.03483	0.8
138.29236	0.2
179.05611	0.3
193.53693	0.2
419.46384	0.2
485.31277	0.2
603.94708	0.2
632.39691	0.2
633.39600	0.4
634.39703	3.9
694.38019	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	695.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52126	0.1
56.34387	0.1
59.01376	0.1
60.32069	0.1
61.49625	0.1
61.61420	0.1
63.02385	0.1
67.88168	0.1
68.38866	0.1
70.31642	0.1
83.01389	0.6
91.94279	0.1
107.01386	1.3
107.89594	0.1
110.15330	0.1
137.02452	0.2
151.00365	14.8
163.00337	0.2
169.01430	2.0
213.05653	1.0
217.05151	0.2
227.03477	0.7
229.05067	1.3
239.03635	0.2
241.05080	1.8
255.02977	3.5
256.03848	0.6
257.04565	6.7
269.04449	0.2
283.02509	0.8
284.03281	40.7
285.04059	100.0
297.04068	0.3
298.04843	0.6
327.05139	1.4
329.56317	0.1
447.09366	31.7
489.10428	26.0
695.25983	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	695.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23640	0.6
52.96681	0.5
56.41125	0.6
58.00190	0.6
59.01387	1.3
63.14212	0.5
71.01398	1.0
74.11115	0.6
111.30263	0.7
113.02490	0.8
119.05006	2.4
120.05310	0.8
151.00363	3.1
163.04019	4.2
164.04379	1.6
175.04007	3.2
178.99881	0.8
217.09969	0.7
243.02966	9.2
255.03011	3.0
257.04562	3.9
271.02496	16.0
285.04126	10.3
286.04843	2.8
299.01984	84.9
300.02798	10.5
314.04346	70.0
315.05118	7.7
330.56824	0.7
503.14523	1.1
548.48389	0.8
651.15765	100.0
695.21204	3.4
695.30151	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15619	0.5
62.31159	0.5
62.39244	0.5
66.29521	0.6
66.43061	0.6
74.86408	0.6
80.34984	0.6
81.51303	0.6
94.52415	0.6
109.17547	0.7
109.91850	0.7
127.86522	0.6
227.03580	2.6
255.03078	6.2
256.03922	0.8
269.04739	0.9
283.02496	100.0
284.03308	22.9
285.04065	62.2
297.04114	1.1
327.05228	1.5
417.55624	0.7
446.08563	12.4
447.09198	3.8
489.10397	20.2
531.11420	2.9
651.15717	66.5
676.98706	0.8
683.87659	0.7
695.26392	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
64.20982	1.3
64.72132	1.1
78.52650	1.2
81.97498	1.3
87.30704	1.3
93.03444	19.4
99.56790	1.3
105.01929	1.4
134.03741	25.2
137.02434	92.6
149.06087	20.2
160.01628	1.4
175.04010	11.1
178.02734	16.7
193.05055	100.0
236.58659	1.3
243.70326	1.4
281.06842	1.7
409.16519	1.7
413.10846	3.3
421.38458	1.6
433.80978	1.9
524.87396	1.7
576.63220	1.5
607.16858	21.7
695.18341	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	695.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30541	0.3
70.68773	0.3
84.74222	0.4
87.00863	0.6
93.03449	10.7
103.16000	0.4
103.53241	0.4
109.73517	0.3
113.02424	0.5
119.05001	0.6
134.03745	17.2
137.02443	48.5
149.06084	13.7
156.26453	0.4
160.01683	2.7
161.02516	0.4
175.03999	8.6
178.02722	16.0
179.03500	0.4
193.05064	100.0
219.06653	0.6
398.02951	0.5
413.10706	0.8
557.15314	0.6
607.16663	2.5
695.18347	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	695.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62361	0.4
59.01369	1.2
64.21396	0.5
65.03942	0.5
66.74103	0.5
70.28423	0.4
71.01380	1.0
73.02911	0.5
85.02949	0.7
85.27671	0.5
88.98790	0.6
89.02418	0.5
92.22478	0.6
93.20356	0.6
101.02440	0.7
113.02460	1.0
117.03472	4.6
123.00880	1.3
124.01637	3.3
125.02444	0.5
134.03740	81.6
136.91325	0.6
138.03253	1.1
139.04030	7.9
149.06070	13.2
160.01611	4.6
175.04027	9.3
178.02740	7.8
193.05064	100.0
285.03928	1.2
332.47681	0.6
415.12274	2.0
438.70102	0.6
457.13229	3.7
489.09967	0.7
651.19360	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	695.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55591	0.7
59.01381	5.1
71.01365	1.0
73.27345	0.8
81.64533	0.9
81.92709	0.9
83.61092	0.8
88.98801	3.6
89.02400	1.0
101.02441	1.1
108.71902	0.9
113.02441	1.9
117.03466	7.4
119.05043	1.6
123.00864	4.3
124.01625	1.3
134.03741	87.0
137.02452	1.2
138.03218	5.2
139.03989	9.6
149.06078	13.6
151.03981	1.2
160.01628	7.8
163.04001	1.0
175.04015	12.4
178.02711	11.9
193.05067	100.0
255.03008	1.7
257.04672	0.9
284.03165	5.0
285.04050	11.6
299.01950	5.7
299.05258	1.8
300.02695	3.9
315.05484	1.0
457.13361	1.7
542.11523	1.0
651.19464	39.7
695.27777	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	695.231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19181	0.3
53.98463	0.3
59.01387	0.8
71.01379	0.8
75.00847	3.1
80.79383	0.4
85.02948	6.3
87.00875	1.7
89.02448	0.6
97.02927	0.7
99.00893	0.5
101.02467	0.6
119.05021	31.4
129.01938	1.9
145.02940	0.7
163.04015	100.0
177.04056	7.5
179.03554	0.5
195.05138	6.3
323.13361	0.5
341.08801	48.5
422.39856	0.4
455.72964	0.4
536.49603	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.6
59.01101	0.9
59.01383	16.8
61.63626	0.4
62.61915	0.4
71.01379	1.0
73.02960	0.4
101.02423	2.3
113.02415	0.9
123.04504	4.6
125.02438	11.0
149.02441	1.0
161.04532	1.9
163.59377	0.5
167.03491	100.0
183.21330	0.4
189.59290	0.4
193.05061	10.5
209.04782	0.6
211.06110	11.5
233.24756	0.4
235.11914	7.2
277.12949	6.2
283.02402	0.7
317.90500	0.5
329.08859	8.4
373.11420	37.2
640.03778	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37417	0.5
53.62531	0.4
53.86442	0.5
58.02961	0.6
59.01376	2.9
71.01386	0.6
71.92929	0.6
74.02469	3.3
75.23479	0.5
87.00863	2.4
91.05531	15.1
95.52026	0.6
101.02444	0.9
116.03505	2.6
116.05062	0.8
117.07088	3.8
127.04520	0.6
132.12440	0.6
133.06587	13.6
135.04539	0.8
161.04742	0.7
161.06082	22.0
163.04013	44.7
179.03319	0.8
179.07118	3.7
203.08287	7.4
223.06125	100.0
245.09351	11.1
255.03012	0.9
284.03214	4.3
285.03922	0.9
301.65048	0.6
335.12689	0.9
356.41299	0.7
405.12744	0.9
405.17548	0.9
434.26666	0.7
533.15784	0.7
604.73639	0.7
651.15973	2.7
695.26117	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.8
59.45628	1.8
61.90787	1.6
70.97948	1.8
71.01382	4.2
73.02938	4.2
89.02446	4.4
99.00862	8.1
113.02408	3.1
118.05092	2.4
122.03740	2.3
122.55365	1.8
147.34578	2.1
149.02423	2.2
149.62341	2.2
160.05287	10.0
161.06065	2.4
163.03957	1.9
164.04793	4.9
175.07651	24.3
177.05557	4.9
178.06329	18.5
179.07089	3.3
191.07115	3.4
192.07994	2.9
193.05061	1.9
193.08742	3.2
198.90620	2.5
213.12393	2.0
216.75305	2.5
225.45616	1.9
237.62651	2.0
299.12946	11.2
311.13028	8.9
327.34256	2.2
329.13959	100.0
375.14670	3.1
634.07867	2.1
653.34473	2.2
665.24603	73.6
695.24921	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	695.4383
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	6.4
59.01381	100.0
70.65626	1.1
71.01376	15.9
73.02936	7.2
75.00893	1.2
82.73024	1.2
83.01374	1.6
85.02940	11.5
89.02408	2.5
93.36727	1.1
98.15774	1.1
99.00867	4.7
99.04560	2.2
101.02424	16.0
113.02441	11.8
124.01703	1.4
125.02482	3.0
127.92012	1.2
136.54979	1.2
143.03340	1.3
158.28203	1.2
161.04539	3.0
183.13847	1.3
232.26701	1.4
373.31506	1.3
551.30579	7.4
591.33850	2.5
609.34674	1.7
635.41901	19.9
651.35620	5.3
652.43073	1.7
653.42450	1.8
695.34271	8.4
695.43829	20.5
723.39337	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	695.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
57.03445	2.0
59.01384	100.0
65.25545	0.4
66.19669	0.4
66.44265	0.5
70.50043	0.5
71.01377	17.0
73.02945	9.1
83.01394	3.5
85.02948	12.6
85.03423	0.7
87.04516	3.6
89.02441	2.4
92.23078	0.7
95.01379	2.1
97.02937	0.8
98.33209	0.6
99.00874	2.8
101.02442	23.3
113.02442	13.1
115.54781	0.5
125.02485	0.6
128.37694	0.5
143.03535	0.7
159.02998	2.1
161.04552	4.2
242.48120	0.5
397.31094	0.9
415.32315	5.2
427.27866	0.5
429.30356	0.5
473.32315	0.9
475.34140	3.8
489.35876	5.0
491.37552	10.9
635.41760	52.9
648.63464	0.6
649.39520	0.8
653.31671	0.7
653.42749	26.1
695.43854	28.4
705.40283	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4384
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76752	1.9
55.50472	1.9
58.71374	1.7
59.01384	100.0
61.98836	2.7
63.10181	1.6
69.62735	1.7
71.01376	23.7
73.02924	2.3
77.67445	1.9
83.01377	1.8
83.05089	1.8
85.02940	7.8
89.02431	30.8
92.22520	4.2
96.96062	2.2
101.02425	18.6
102.91265	1.9
113.02435	17.0
119.03500	8.0
172.81531	2.2
179.05658	14.1
180.75528	1.9
191.49368	1.8
216.01042	2.1
216.80157	1.9
329.12625	2.3
354.46960	2.2
635.41846	77.9
647.97968	2.5
695.44092	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	695.4386
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
67.62486	1.2
71.01379	25.7
72.01703	1.6
85.02943	3.5
89.02430	36.4
101.02433	19.7
111.72999	1.5
113.02457	13.3
113.03117	1.4
119.03497	12.4
134.04338	1.5
143.03534	3.0
149.80878	1.5
161.04585	5.7
173.32314	1.4
173.84802	1.4
179.05611	14.9
223.41904	1.4
268.91360	1.6
304.25089	1.6
373.92456	1.7
412.97595	1.6
635.41693	87.7
695.43134	31.8
709.68585	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	695.4393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.7
59.01382	100.0
60.01725	0.5
61.98831	40.3
62.98563	0.4
69.36859	0.3
71.01376	9.3
72.01794	0.4
73.02937	2.8
83.01379	0.5
85.02942	3.8
86.85428	0.4
89.02442	5.5
95.01391	0.6
96.96034	0.6
99.00870	0.6
101.02436	7.0
107.03440	0.4
113.02434	4.5
119.03515	1.5
153.83163	0.4
159.03053	0.4
161.04590	3.1
179.05551	1.1
190.09155	0.4
219.13971	0.4
225.79674	0.4
635.41589	33.7
695.44110	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	695.4381
Annotation	Cumingianoside B
Peak:m/z	Relative Intensity
54.26927	0.7
54.44858	0.8
59.01382	69.3
71.01373	17.4
73.28651	0.7
74.29189	0.7
78.48563	0.7
85.02934	4.1
87.00885	0.8
89.02438	33.4
101.02449	13.5
110.28013	0.8
113.02451	8.4
114.12926	0.8
119.03484	10.5
138.99101	0.9
143.03418	1.0
161.04565	1.6
179.05595	11.9
182.27533	0.9
185.08929	0.8
308.16025	1.0
329.80624	0.9
552.23883	1.1
635.41742	100.0
695.44617	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	695.4384
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	100.0
58.50373	5.6
59.01383	50.5
60.61033	5.8
63.67450	5.2
99.04532	94.4
101.02452	12.6
125.02433	44.2
143.03389	6.3
168.67436	5.9
277.21735	70.7
486.20352	7.2
715.45068	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	695.4386
Annotation	Cumingianoside B
Peak:m/z	Relative Intensity
57.03452	100.0
58.93662	3.7
59.01380	68.6
80.68275	3.4
98.53337	3.6
99.04510	89.4
101.02444	16.1
115.71499	3.9
125.02447	42.6
143.03479	4.2
255.23317	21.4
277.21616	30.8
306.59149	4.2
374.50027	4.5
617.44324	10.0
695.43988	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	695.4384
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91387	0.4
58.93586	0.4
59.01381	100.0
64.66210	0.5
71.01379	8.8
73.02932	2.2
83.01372	0.7
83.04198	0.6
83.07765	0.5
85.02951	3.4
91.31657	0.5
95.01342	0.6
101.02450	7.0
101.93758	0.6
113.02416	5.1
122.91232	0.5
128.53554	0.5
131.11176	0.6
161.04541	3.5
168.51640	0.6
196.10585	0.6
240.37685	0.6
304.68472	0.7
324.38223	0.6
345.24106	0.6
494.63028	0.6
635.41711	28.5
695.43854	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	695.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98471	0.8
55.16116	0.9
55.96166	0.9
56.95452	1.1
57.03451	2.0
59.01382	100.0
60.01736	1.1
61.98831	11.6
69.31277	0.9
70.72834	0.8
71.01373	23.8
73.02940	2.6
83.01376	2.1
85.02938	9.2
89.02437	20.3
92.22583	1.5
94.98069	2.5
95.01372	2.2
99.00868	1.7
101.02447	19.2
109.29463	1.2
113.02451	14.6
119.03441	8.1
125.02401	1.5
127.37215	1.3
161.04510	2.0
179.05653	2.3
181.20337	1.0
213.98433	1.0
230.31932	1.1
591.37433	6.8
609.38245	4.4
635.41675	89.4
651.39813	7.9
695.44061	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	695.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03398	0.5
57.03456	1.2
57.53264	0.5
59.01382	75.9
71.01375	19.1
73.02942	4.5
74.62142	0.5
83.01380	1.3
85.02950	5.6
89.02435	20.2
95.01402	1.3
97.02925	0.6
99.00891	1.0
101.02429	19.3
113.02444	12.4
119.03494	7.6
125.02417	0.9
125.21160	0.5
135.01498	0.6
149.04582	0.6
161.04546	2.3
261.24582	0.6
279.23178	0.6
371.21478	0.6
430.95554	0.6
591.37604	3.1
609.38702	1.1
635.41754	100.0
651.39496	2.9
679.39789	0.8
695.44049	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	695.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98109	3.7
59.01382	62.4
64.79057	3.5
71.01371	20.2
73.02959	5.2
85.02972	4.9
85.63216	4.5
89.02431	7.8
101.02435	9.1
113.57047	4.3
116.57044	4.4
125.80803	4.6
196.18195	4.7
213.14735	4.7
473.36359	20.3
628.73749	4.7
635.41687	100.0
695.43671	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	695.4386
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68080	2.9
58.96959	2.9
59.01382	100.0
71.01389	5.7
73.02936	3.0
74.74226	2.6
85.02955	6.9
89.02425	6.4
89.50147	2.8
93.30724	2.8
93.84784	3.0
98.52743	3.1
101.02440	7.4
112.87785	3.3
113.02425	4.2
139.90018	3.1
140.25493	2.8
150.98262	3.1
213.46005	3.2
234.23389	3.5
360.96973	3.4
635.41736	43.3
695.43909	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	695.4744
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75217	1.1
54.60333	0.9
64.25820	1.0
65.68181	0.9
81.97779	1.1
113.09702	1.2
119.59055	1.3
129.09233	4.6
139.11336	1.3
152.99506	1.2
157.68324	1.1
171.10257	8.6
174.15845	1.2
181.12375	1.9
183.13808	1.2
193.12276	2.9
197.11829	7.0
199.13344	2.4
211.13435	15.8
262.70242	1.1
275.20328	1.5
285.67059	1.6
293.21228	19.0
311.22314	100.0
483.64572	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	695.4747
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92902	0.7
54.37799	0.6
62.67317	0.6
66.42345	0.6
69.48920	0.6
74.18116	0.6
98.32127	0.7
99.08141	1.7
113.09708	3.2
116.30857	0.7
129.09206	7.7
139.11298	0.8
153.12892	1.0
161.25783	0.7
169.12306	1.4
171.10268	3.0
181.12343	3.9
183.13896	3.7
193.04520	0.7
193.12390	1.6
197.11868	10.2
199.13463	6.1
201.11172	0.7
211.13409	25.3
236.51424	0.7
244.51233	0.8
275.20148	1.2
293.21295	18.2
311.22311	100.0
592.61230	0.7
695.47424	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	695.4751
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90960	0.5
57.03437	0.7
59.01382	1.0
61.98846	0.6
81.03449	2.7
83.01391	6.6
83.05039	1.5
85.02928	0.7
97.06568	1.5
111.08179	0.6
113.09761	0.6
123.04570	0.6
123.08158	2.4
125.06066	0.8
125.09709	8.3
127.11255	1.2
132.98578	0.6
137.09811	0.6
139.11287	6.3
150.04065	0.6
162.10497	0.6
163.11220	4.3
164.14487	0.6
165.12830	12.7
167.10783	4.2
167.14511	0.7
179.14319	0.8
180.11378	0.6
181.12354	2.8
183.13924	1.3
190.82678	0.6
191.10811	3.4
191.14253	0.7
193.15993	3.8
195.10222	0.6
202.30635	0.6
207.10252	0.6
209.11845	44.5
211.13483	1.1
212.31720	0.6
225.11217	0.8
247.20715	13.7
263.20493	0.7
265.21729	2.7
266.04941	0.6
273.18637	2.6
281.21329	1.3
291.16409	1.1
291.19687	51.3
309.20746	100.0
613.24371	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.475
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19394	0.7
51.70144	0.8
59.01378	2.0
64.28036	1.0
64.65025	0.9
65.50663	0.9
66.90637	1.0
68.59547	0.8
73.02852	0.9
76.80937	1.0
111.08150	18.0
152.89450	1.0
169.12350	4.4
171.10248	1.8
181.12399	1.5
183.73558	1.1
197.11845	55.5
199.13417	2.0
209.15451	2.3
211.13390	7.8
225.52087	1.2
250.24438	1.2
263.20160	1.9
291.19635	9.3
309.20746	100.0
336.07834	1.2
367.09534	1.1
387.08163	1.1
390.66086	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.475
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73826	1.0
52.53918	1.0
57.25025	0.9
59.01376	1.3
65.26933	0.9
74.95890	0.9
85.59457	1.1
88.67046	1.1
104.60653	1.0
104.90948	1.1
111.08134	19.1
142.56502	1.3
142.73648	1.3
169.12343	5.0
171.10320	1.1
197.11845	61.1
209.15494	3.7
211.13474	8.2
251.16493	1.3
263.20135	2.1
283.42227	1.2
291.19708	9.1
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	695.5085
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80210	0.4
63.90538	0.4
96.95974	0.5
112.07673	2.8
113.02436	0.6
129.10376	4.9
130.08730	39.2
199.18175	3.5
207.15085	1.1
224.17734	3.0
225.16078	5.5
243.17142	30.4
312.26785	1.0
329.13995	0.9
337.26117	1.2
338.24326	1.1
356.25580	28.1
428.18854	0.8
450.34406	0.6
456.33835	0.6
469.33990	13.0
493.89487	0.6
582.42175	2.4
695.50854	100.0
721.42511	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	13.5
60.01717	0.6
61.98833	100.0
64.12512	0.4
71.01418	0.8
114.56543	0.5
151.79382	0.6
184.12280	0.5
260.72665	0.6
273.58020	0.6
337.39307	0.6
382.82108	0.5
636.41309	3.0
696.43835	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	696.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81998	0.5
53.51057	0.6
54.46322	0.5
57.58560	0.6
59.01379	20.2
61.98830	100.0
71.01371	5.3
72.01689	0.7
73.02941	1.0
85.02955	0.9
89.02451	5.2
101.02421	3.7
113.02430	3.6
119.03503	1.3
122.08654	0.7
131.03528	0.7
146.36353	0.6
153.98708	0.6
179.05563	1.0
218.27470	0.7
355.33649	0.8
417.79825	0.8
592.37213	0.9
636.41907	19.1
652.39893	1.2
696.42169	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	697.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56637	0.6
57.03447	1.2
59.01382	4.6
71.01377	12.6
72.44319	0.7
75.00857	9.7
79.07094	0.7
85.02952	4.9
87.00886	3.4
89.02429	1.6
97.00046	0.7
99.00886	12.5
101.02481	0.9
119.05006	11.9
129.01923	18.6
130.55663	0.8
131.03496	1.4
134.03729	1.3
136.04144	0.7
145.03000	1.1
149.04578	1.8
159.03024	4.5
161.06152	1.5
163.04005	41.9
163.05327	1.7
167.03438	2.7
177.04057	20.8
179.05588	4.7
193.05087	3.2
195.05109	54.4
205.05072	3.1
209.06737	0.9
246.46227	0.8
259.05981	1.1
265.07187	0.8
282.68179	0.8
341.08801	100.0
350.06265	0.9
355.10272	5.2
356.79797	0.9
449.11017	3.3
517.18066	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	2.0
69.61648	0.8
71.58354	0.7
82.75101	0.7
92.23121	0.9
108.88046	0.7
117.03458	7.2
119.05019	100.0
121.02947	1.2
123.04503	0.9
133.02983	1.2
134.03740	37.8
134.75108	0.7
135.04535	1.6
137.02400	3.3
144.95474	0.9
145.01874	0.9
145.02962	20.0
148.05353	1.0
149.06102	5.8
160.01649	5.3
161.06090	0.9
162.03227	3.1
163.04015	64.7
165.05458	1.0
175.04002	14.0
177.05551	1.5
178.02708	4.4
179.71902	0.9
185.05405	0.9
193.05098	32.4
224.36255	0.8
269.39255	0.7
341.10342	1.2
521.18097	5.1
607.46490	0.9
667.22180	1.0
697.23022	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	697.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37852	1.7
57.03452	82.2
58.53368	2.0
58.83237	2.3
59.01103	3.5
59.01384	74.8
62.57242	2.0
71.01364	3.8
74.75317	2.2
75.38582	2.0
76.94012	1.9
77.25917	1.9
79.98785	2.0
99.04510	100.0
101.02446	18.0
102.55792	2.3
103.11337	2.3
108.90677	2.4
112.18491	2.2
125.02428	45.2
143.03500	4.2
149.20541	2.1
195.02422	2.2
509.31171	4.7
551.32568	16.2
582.52032	2.6
653.35419	59.4
697.34344	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	697.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37850	17.0
62.15100	19.5
68.24810	20.4
88.24229	18.6
118.44057	22.5
120.00445	19.8
129.70950	25.4
131.05585	22.3
134.40091	19.4
135.11040	19.4
204.63301	26.2
305.38678	21.7
697.44293	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	697.454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.3
59.01382	100.0
61.01804	0.3
61.98825	0.6
71.01383	6.0
73.02927	3.2
76.48850	0.3
76.69080	0.3
83.01396	0.8
85.02939	4.3
87.04506	0.5
96.96012	0.8
99.00883	1.3
101.02432	7.2
113.02425	3.8
161.04579	1.8
399.32700	0.9
424.57202	0.4
439.67197	0.4
473.36261	0.5
475.37994	3.4
637.43274	38.7
697.45398	23.4
697.55457	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46883	0.8
59.01383	100.0
70.92262	0.7
71.01384	5.3
73.02926	1.4
78.07967	0.7
83.01372	1.7
85.02940	3.9
92.22461	1.7
95.01364	1.0
101.02443	8.6
113.02441	1.9
161.04599	1.0
162.48216	0.8
165.00175	0.8
187.69168	0.9
475.38153	1.1
537.09088	1.0
637.43237	29.7
697.45380	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	697.454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	88.4
59.01383	51.4
63.30807	1.0
66.12568	1.1
69.06277	1.2
84.13854	1.2
85.02921	1.3
91.09800	1.3
96.63177	1.2
99.04512	100.0
101.02429	18.8
121.64421	1.3
125.02429	51.8
143.03505	2.4
150.03967	1.4
279.23318	50.6
470.67075	1.4
646.63519	1.9
697.45233	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	698.412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49463	0.5
53.78650	0.5
59.01383	3.2
61.98833	100.0
63.99263	4.1
66.83717	0.5
91.47750	0.6
101.02444	0.5
103.77216	0.6
256.88266	0.7
366.89865	0.6
566.12982	0.6
591.69177	0.7
622.56641	0.8
638.42896	4.8
698.40637	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	699.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03279	0.9
90.58391	1.0
93.03451	9.6
108.02148	14.3
109.02928	9.6
137.01439	2.4
137.02441	49.1
152.01152	100.0
153.01889	4.9
163.04015	4.7
166.02797	1.2
166.76826	1.1
179.03493	1.6
187.40883	1.2
221.00037	1.0
241.07191	2.0
258.79333	1.2
311.86911	1.2
313.90622	1.1
399.09357	30.2
417.10419	19.2
484.97772	1.4
533.14758	1.3
537.12378	12.0
546.58105	1.2
628.33948	1.3
628.76709	1.2
644.30133	1.2
699.17883	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	699.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72490	1.1
57.03452	34.8
59.01380	71.6
62.33656	1.2
71.01017	2.2
71.01379	40.5
73.02937	10.1
81.03448	2.1
83.01381	2.8
85.02937	17.4
87.00865	3.2
89.02017	1.3
89.02449	18.7
89.87129	1.5
95.01360	3.0
97.02937	5.9
99.00868	7.6
99.04519	27.2
99.13296	1.6
101.02435	43.6
111.00871	1.7
112.01681	1.4
113.02447	32.8
115.00341	2.4
119.03494	7.3
121.38754	1.3
124.01662	2.6
125.02426	28.2
129.01984	1.5
130.49640	1.6
133.01424	8.7
143.03464	7.5
145.12331	8.0
159.02989	5.8
160.43443	1.6
161.04536	15.5
252.13693	1.7
289.16696	6.0
307.17697	12.7
433.20685	5.8
451.21890	40.1
469.22855	17.9
493.23117	21.1
508.14297	1.5
511.23920	62.8
553.25098	12.8
618.24280	1.7
655.28265	100.0
684.23065	1.5
699.26825	7.8
699.36523	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	699.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	30.7
59.01384	57.6
59.01683	1.9
63.10419	0.8
70.29758	0.9
71.01382	30.1
73.02931	8.3
74.02475	1.0
74.14719	0.8
81.03442	1.4
83.01385	5.7
85.02937	17.2
87.00884	2.0
89.02425	9.4
95.01353	1.8
97.02950	4.2
99.00860	5.4
99.04511	25.8
101.02439	37.1
111.00877	1.5
112.01651	1.2
113.02439	28.2
119.03453	2.5
124.01624	1.4
125.02427	25.7
132.15112	1.1
138.92043	1.0
143.03500	7.4
145.12346	3.9
159.02968	6.6
161.04555	13.5
165.05588	1.6
179.03404	4.6
232.75450	1.0
245.09416	1.6
257.56952	1.0
289.16693	8.1
307.17651	12.9
403.19672	1.9
433.20868	7.3
451.21918	42.9
469.22964	24.2
493.22879	27.6
511.23990	69.7
553.25012	13.3
613.26837	1.5
655.28290	100.0
699.26215	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	699.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73909	2.0
59.01378	2.5
83.47592	1.9
92.69138	2.2
112.38354	2.3
116.92855	4.6
164.90285	2.4
190.84752	2.7
223.23560	2.0
235.13725	2.1
255.02998	10.5
256.03839	3.3
283.02475	86.9
284.03333	30.1
298.04855	76.0
299.02582	3.6
299.05658	52.8
699.33948	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	699.361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18822	0.8
54.45179	0.9
56.50114	1.0
57.13912	0.9
59.01384	16.1
61.94345	1.0
63.77924	0.9
68.13190	0.9
71.01375	24.1
73.02941	6.1
83.01367	2.1
85.02962	9.1
87.00874	2.0
89.02437	21.3
95.01366	1.3
99.00866	2.1
101.02435	20.8
113.02460	16.9
119.03502	8.2
131.03493	12.9
143.03473	1.5
159.02936	2.3
161.04556	14.3
177.05577	1.5
178.02840	1.3
179.05611	10.3
193.05061	2.3
221.06650	21.3
222.22469	1.3
345.24405	4.7
639.33978	100.0
641.82349	1.2
699.22803	4.0
699.33801	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	699.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79056	1.2
59.01384	58.3
71.01381	11.6
73.02938	9.9
78.72777	1.4
81.09595	1.2
83.01403	5.2
84.60918	1.3
84.98318	1.3
85.02946	10.9
85.06575	2.9
88.70071	1.4
89.02457	5.6
92.62724	1.3
95.01392	2.4
101.02416	17.6
112.01620	1.8
113.02448	10.7
142.17905	1.3
161.04607	1.4
200.08189	1.4
231.57928	1.5
323.40936	1.3
353.12762	1.7
365.24722	2.0
433.31195	5.8
451.32095	13.5
455.56281	1.7
515.29987	5.1
527.30298	2.0
595.36493	44.2
613.37634	20.8
655.38605	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91858	35.9
57.06376	38.7
64.16853	39.6
72.50807	39.3
93.92122	44.4
104.38044	43.6
242.23047	41.6
332.79190	42.2
461.69193	47.0
659.57910	49.3
699.38666	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36496	64.1
59.78751	70.7
61.98825	75.3
68.27847	84.1
69.18483	57.3
70.42820	67.8
85.43734	67.3
89.11529	72.1
95.92928	84.3
96.89471	72.9
102.57282	79.1
109.72025	70.1
142.12891	66.3
150.78911	75.9
151.58217	74.1
232.01845	84.0
261.23438	73.9
286.00070	93.0
306.86508	85.0
407.20941	71.8
461.30539	83.0
597.26910	100.0
690.29993	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	699.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26415	0.3
52.96528	0.4
59.01373	4.3
61.98829	23.1
61.99146	0.7
63.39906	0.5
66.43620	0.5
71.01385	3.0
73.02939	0.9
75.15428	0.5
76.61828	0.5
89.02439	2.2
101.02431	2.6
107.09126	0.6
113.02357	1.4
116.72729	0.5
119.03474	0.7
161.04550	2.1
165.12820	7.7
183.13893	100.0
206.25403	0.5
209.11775	0.9
227.12814	6.1
247.51384	0.5
253.09256	4.4
253.21703	4.5
450.94980	0.5
463.21826	9.2
487.65784	0.5
580.24585	0.5
613.40283	0.7
699.43274	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	701.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21409	0.7
53.26782	0.7
59.01369	1.0
67.33009	0.6
71.01363	1.0
75.50587	0.7
82.13903	0.7
93.03458	15.5
95.62319	0.7
105.08103	0.9
109.03350	0.8
137.02438	67.8
138.03221	6.8
140.99995	0.8
153.05568	100.0
209.77066	0.8
220.50018	0.9
299.07748	24.6
357.11945	6.1
380.81909	0.8
396.93701	0.9
399.29364	0.9
458.96661	1.0
635.24652	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06805	0.3
57.28674	0.2
71.05019	0.4
73.02947	0.6
75.00869	0.6
75.61976	0.3
81.03450	1.4
99.00854	1.5
99.04507	0.6
107.78781	0.3
119.05016	27.9
143.03491	2.5
161.04532	1.9
163.04005	100.0
179.05608	8.7
217.88423	0.3
230.28053	0.3
259.10495	0.3
261.79727	0.3
264.26306	0.3
325.09308	50.4
339.80197	0.3
667.08954	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97564	0.7
59.01383	40.5
87.37808	0.6
178.06599	0.6
213.20621	0.7
315.56335	0.7
325.25391	0.7
481.15268	45.8
482.16013	2.9
495.16788	16.6
496.17310	1.2
497.18253	0.9
514.14392	0.9
525.14154	1.4
539.15845	3.4
540.16620	22.3
554.18079	4.4
555.18958	10.9
567.18640	0.9
572.15588	8.1
586.17242	0.8
641.22632	16.3
649.22888	0.6
701.24768	100.0
734.22015	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66933	0.5
54.55978	0.4
57.97567	0.7
59.01384	36.6
60.14457	0.5
60.52418	0.5
60.87231	0.6
63.00161	0.4
64.25415	0.5
92.22509	0.7
132.39883	0.6
190.71274	0.7
192.93719	0.7
197.07301	0.6
351.66205	0.6
481.15250	48.2
482.15707	2.3
495.17020	11.5
496.17538	0.8
497.18057	0.7
514.14917	0.9
525.14209	2.5
539.16028	2.7
540.16589	24.3
553.17249	1.3
554.18231	1.2
555.18951	14.6
567.19080	3.3
569.20660	2.1
572.15656	11.7
586.16919	0.8
609.20172	1.1
641.22827	15.9
701.24805	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	701.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55543	0.6
54.60195	0.7
59.01381	100.0
62.74035	0.7
71.01382	9.7
73.02934	3.3
83.01384	1.3
85.02949	3.3
89.02437	5.1
90.62275	0.8
92.68439	0.7
99.00870	1.9
101.02444	17.5
101.47118	0.8
111.80589	0.7
113.02440	8.6
119.03506	0.8
125.36604	0.8
131.51753	0.8
159.03003	1.0
161.04547	13.1
206.03526	0.7
235.11873	39.5
277.12915	45.7
278.42334	0.9
295.14133	0.9
361.55219	0.9
379.16086	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	701.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46542	0.9
55.13648	0.7
57.03166	0.7
57.03454	54.4
59.01385	67.8
69.23783	0.7
71.01385	6.7
73.02943	5.1
83.01391	0.9
85.02941	1.6
89.02432	1.1
99.00906	1.8
99.04517	65.6
100.75001	0.8
101.02439	24.4
101.66407	0.9
105.70424	1.0
110.60898	0.8
113.02444	3.7
125.02444	25.6
143.03528	3.7
155.10791	1.2
161.04572	8.3
164.07108	1.4
178.67122	0.8
206.08263	1.6
214.92444	0.9
235.09679	1.7
235.11873	29.3
270.06482	0.9
277.12988	16.8
285.08856	8.7
317.15894	1.5
379.11798	4.9
379.16110	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00274	1.7
56.36150	1.3
59.01383	100.0
59.35513	1.4
71.01369	8.3
73.02940	3.2
81.82797	1.5
83.01361	1.8
85.02947	6.7
92.22603	2.4
99.04538	1.5
101.02467	13.2
108.48804	1.7
113.02426	3.4
123.45008	1.5
150.15762	1.9
271.60959	2.0
282.50131	1.9
407.99969	1.7
453.33841	4.0
597.38110	48.2
597.46924	2.0
615.38910	12.9
657.40222	49.9
729.09338	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	701.4488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59861	0.8
53.11335	0.8
55.90485	0.7
59.01369	1.1
68.81733	0.8
71.01373	1.8
78.20010	0.8
87.08895	0.8
94.79707	1.0
101.01768	0.9
101.02428	5.4
113.02447	1.2
116.92841	5.0
145.05089	1.0
156.44052	0.9
165.12889	8.7
181.55292	0.8
183.13896	54.8
191.11122	1.0
228.24501	0.9
246.56863	0.8
255.23308	100.0
261.86050	0.9
281.12610	1.1
391.74576	1.0
397.35815	1.1
445.92392	1.0
531.21936	1.2
701.44904	89.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.5218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19890	0.7
59.01382	57.8
61.98825	1.6
87.18116	0.9
89.73394	0.7
123.34469	0.8
162.18256	0.7
171.10275	3.1
177.50839	0.8
211.13390	3.0
229.14592	1.4
255.23312	100.0
311.22266	5.0
329.23407	10.8
567.46210	3.5
576.42224	0.9
641.50507	1.3
724.20471	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27082	0.4
68.74790	0.6
72.99317	0.5
78.95876	2.0
85.86554	0.5
110.98513	5.8
134.04724	100.0
176.27257	0.5
188.30719	0.4
225.01680	9.8
260.55276	0.5
315.72446	0.5
326.50125	0.5
359.09616	0.7
360.07166	50.5
361.31168	0.5
655.41711	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23174	0.2
57.27072	0.2
59.94781	0.2
63.69966	0.2
65.25031	0.2
68.21632	0.2
79.95734	1.6
94.98069	0.3
96.96004	100.0
110.99496	0.2
113.74892	0.2
114.93415	0.5
119.47589	0.3
184.58987	0.2
218.87611	0.2
309.07718	0.8
312.10013	1.4
324.10135	1.2
327.12402	2.5
339.12314	2.0
357.13239	0.3
583.91003	0.2
703.37024	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	703.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40427	2.3
57.03450	18.4
59.01377	16.6
61.98852	2.7
72.47763	2.2
75.22818	2.6
99.04513	15.7
101.02455	6.0
106.46825	2.5
121.88348	2.1
125.02423	8.8
166.92773	2.3
240.81538	2.6
386.63977	3.0
452.18652	4.7
467.21033	47.9
480.18237	38.0
481.19113	29.6
495.20563	44.1
496.14169	4.3
508.17331	12.6
511.16544	4.0
512.10040	3.9
512.17151	87.9
524.17163	25.1
525.17859	11.1
539.19495	21.3
542.18140	4.1
571.10150	3.2
583.18542	61.7
584.19196	100.0
597.20154	3.7
599.21417	9.7
601.19556	20.7
643.21057	17.5
659.39838	3.2
703.11700	4.2
703.22717	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	703.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60588	0.7
56.98575	0.6
57.03454	36.4
57.16249	0.6
58.02981	4.5
59.01105	1.5
59.01382	30.2
59.27921	0.7
67.84698	0.8
70.02966	9.4
71.01372	3.6
72.04548	1.7
74.02468	34.0
85.02936	1.3
87.24650	0.7
96.96017	0.9
98.02479	7.7
99.04515	40.8
101.02435	11.4
104.83757	0.9
108.32114	0.7
113.02455	3.2
116.03533	20.7
116.05024	6.7
125.02430	19.6
130.06548	1.0
142.06612	0.9
143.03522	3.1
147.04524	1.2
159.09299	1.7
161.04541	3.6
165.05614	2.9
186.05588	1.0
201.10358	5.8
203.08284	72.3
207.06578	1.1
245.09323	100.0
269.10229	5.7
289.08304	5.6
311.11450	14.6
351.14789	1.2
413.14566	64.0
703.21619	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	703.263
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	82.2
84.61358	0.8
112.80111	0.9
155.81303	1.0
214.18391	1.0
443.20575	1.1
466.16394	1.0
482.16031	4.2
483.16632	1.6
497.18661	2.1
499.19833	1.9
530.18494	1.3
583.22168	3.5
584.22699	2.2
585.15137	1.1
585.23126	7.4
703.26312	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63624	0.4
53.75857	0.3
57.97561	0.6
59.01384	70.1
60.39827	0.4
63.44162	0.4
67.90640	0.4
68.89274	0.4
71.42085	0.4
81.96014	0.4
181.51816	0.5
184.92271	0.5
209.46294	0.5
240.74152	0.5
278.27100	0.5
427.17596	0.8
441.18768	0.6
443.20868	2.0
481.19019	1.9
482.15787	5.5
483.16837	3.7
484.17621	2.0
496.17300	0.9
497.18533	2.6
498.19058	2.0
499.19699	2.3
514.15021	0.6
525.21338	1.1
530.18304	0.6
557.20416	1.1
583.22156	3.3
584.23047	4.1
585.23615	8.8
611.22272	0.7
643.24542	2.1
703.26361	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	703.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27089	0.7
59.01381	100.0
60.01727	0.8
60.45363	0.6
71.01378	8.2
73.02945	4.4
82.53534	0.8
85.02949	5.0
89.01466	0.7
89.02428	3.8
90.32395	0.7
99.00890	1.5
101.02435	16.0
111.51851	0.9
113.02457	8.0
159.03024	1.4
161.04559	10.7
161.07204	22.2
163.03992	1.5
179.05592	1.5
204.07787	30.1
224.35159	0.9
230.09293	11.2
235.11882	31.3
236.12131	1.1
272.10291	5.5
277.12927	38.4
278.13275	1.2
321.11978	2.9
338.13626	43.8
381.14136	13.7
390.66928	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79852	0.4
51.70739	0.4
52.22534	0.3
54.18902	0.4
55.76002	0.4
56.52680	0.4
59.01377	0.8
61.99862	0.4
88.72858	0.4
92.22484	0.7
101.02462	0.6
103.18248	0.5
107.87929	0.5
113.19999	0.4
119.79636	0.5
128.43628	0.5
141.39775	0.5
143.23610	0.5
163.73366	0.5
210.99774	0.4
247.13377	0.5
345.32220	0.5
402.70499	0.6
703.38440	100.0
734.74731	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57402	1.8
57.03446	10.3
59.01102	4.3
59.01383	100.0
61.23589	1.8
61.98853	3.3
64.64182	1.7
71.01379	18.6
73.02930	17.7
85.02972	3.0
89.02452	17.1
99.04519	10.5
101.02454	28.1
113.02454	9.3
119.03455	4.3
124.32212	2.3
125.02428	12.3
137.25763	2.8
143.03500	2.7
161.04570	5.0
164.04153	2.0
166.98759	2.6
168.50710	2.2
189.14284	2.2
209.19856	2.2
209.21869	2.3
221.06686	3.8
333.52997	2.8
342.16647	2.1
430.32114	2.2
493.23068	2.1
529.23126	3.4
544.75342	2.4
599.39612	13.0
617.40582	10.3
623.25006	16.4
659.41986	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	703.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57760	1.4
55.54753	1.2
59.01382	100.0
61.60234	1.2
71.01382	8.8
73.02937	2.7
81.98820	1.3
85.02931	3.1
95.01360	1.6
101.02435	10.0
113.02438	6.5
128.58495	1.5
148.15547	1.5
189.75620	1.7
298.07639	1.5
350.01770	1.6
361.97186	1.5
455.35385	6.8
599.39532	22.1
617.40619	15.8
659.41791	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	703.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
66.36867	1.4
67.46879	1.6
69.36853	1.2
70.06064	1.3
71.01373	18.7
72.50322	1.2
73.02940	13.7
82.73668	1.6
83.01396	2.2
85.02946	2.0
87.03037	1.4
89.02425	16.7
101.02451	20.5
113.02431	17.5
118.31086	1.4
119.03477	9.4
126.22613	1.4
143.03468	2.4
147.45920	1.5
149.04579	2.0
161.04541	9.1
177.58058	1.7
179.05566	8.0
221.06567	2.0
507.98917	1.7
599.39606	11.2
617.40753	12.5
659.41760	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	703.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75057	1.3
53.60149	1.5
54.60877	1.5
59.01382	100.0
61.66233	1.4
61.98825	8.1
65.70287	1.5
68.67791	1.7
80.62563	1.5
195.94772	1.8
277.21820	7.8
277.25726	1.7
280.67441	1.7
289.25443	1.8
309.20551	2.5
380.01395	2.0
432.65079	2.1
456.23572	1.9
509.09756	1.9
658.88629	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	703.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73577	0.5
57.63541	0.6
59.01383	100.0
61.98827	1.6
67.36621	0.6
70.76669	0.6
90.24125	0.6
97.68824	0.6
101.83978	0.7
126.94483	0.7
146.08388	0.6
181.65283	0.7
213.46609	0.7
225.22450	0.7
277.21774	14.0
309.20593	1.2
336.23547	0.8
436.39975	0.8
683.24823	0.8
691.73920	0.8
730.72321	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53734	0.4
58.02979	8.5
59.01382	25.0
59.13970	0.5
67.13287	0.5
70.02986	6.2
71.01384	5.2
73.02940	7.0
85.02950	2.3
89.02431	2.2
90.34956	0.5
91.05521	6.3
96.70161	0.6
99.00881	2.8
101.02430	9.3
106.23212	0.5
112.15680	0.5
113.02438	5.0
125.02407	0.6
128.62834	0.5
131.03416	0.7
147.04529	15.5
147.49030	0.5
159.02914	1.0
161.04572	8.6
162.09171	0.7
164.07181	77.6
182.55661	0.6
206.08240	80.0
217.10779	0.9
235.11877	31.3
235.14262	1.0
246.73064	0.5
250.07120	4.0
305.85898	0.6
328.30127	0.5
349.14838	0.7
367.16049	12.6
397.13785	0.6
409.17200	100.0
453.16159	2.1
567.96161	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97003	0.3
50.98829	0.3
56.50100	0.4
57.03442	1.1
59.01373	2.3
72.64600	0.5
73.62083	0.4
93.38182	0.4
96.95966	0.8
99.04499	1.9
115.37295	0.5
125.02438	0.8
132.21664	0.5
136.33493	0.5
137.02434	1.8
143.10771	2.5
144.83107	0.4
151.00372	2.5
179.00040	0.5
227.03477	10.9
242.89078	0.5
250.93443	0.5
250.96277	0.5
255.03018	25.9
256.03674	4.5
257.04575	1.1
283.02496	1.0
284.03290	100.0
285.04077	11.8
298.04782	0.6
300.91223	0.5
314.17145	0.5
517.05682	0.7
558.14160	0.7
561.12537	8.7
601.15454	0.8
705.24072	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	705.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	4.3
59.01371	2.7
70.02971	7.2
72.04575	0.8
74.02467	26.9
82.78175	0.6
88.02967	0.6
92.18622	0.7
98.02475	5.3
116.03519	20.0
116.05028	6.2
131.07120	0.9
142.66689	0.8
159.09262	1.5
186.05627	1.0
190.45769	0.7
201.10416	6.3
203.08272	64.0
214.25877	0.7
245.09312	100.0
267.66516	0.8
277.09409	1.1
289.08469	6.1
451.28033	0.8
705.25684	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10305	1.2
59.01382	100.0
59.33721	1.1
69.03470	1.7
71.01376	32.0
73.02945	72.0
83.01384	14.1
85.02946	6.7
89.02426	11.7
95.01421	1.6
96.96006	1.7
101.02434	55.7
105.77789	1.3
113.02454	26.2
119.03477	9.1
125.02438	2.2
131.03500	3.0
142.09383	1.2
143.03519	7.1
148.04631	1.8
149.04549	10.1
161.04562	25.6
165.05421	1.6
179.05634	1.9
203.05630	2.0
221.06682	12.4
331.60126	1.6
568.55347	1.6
617.28461	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	705.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40136	0.7
57.03453	6.6
58.71588	0.6
59.01381	5.0
64.73531	0.8
72.95016	0.6
73.02927	1.5
75.00895	0.9
81.03431	1.4
99.00887	1.7
99.04507	7.3
101.02419	1.2
107.16669	0.7
113.02452	0.8
119.05012	26.7
125.02411	2.8
138.05630	5.1
143.03526	1.3
143.15663	0.6
145.55109	0.7
161.04552	1.7
163.04004	100.0
164.04474	0.8
179.05615	8.7
196.06116	4.8
235.11937	1.4
277.13007	1.4
280.29065	0.7
317.04025	0.9
319.51825	0.8
325.09323	49.9
379.16125	14.4
395.44171	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	30.8
60.17029	0.4
71.01007	0.8
71.01376	16.6
72.99324	0.6
85.02936	3.2
87.00871	0.7
87.98517	0.4
89.02436	34.9
91.90719	0.4
92.99099	0.4
94.98170	0.4
95.01348	0.7
101.02438	21.0
108.03010	0.4
113.02441	11.9
119.03481	20.3
119.04940	0.8
131.03514	0.8
132.63857	0.5
135.26112	0.5
143.03540	1.0
149.04581	0.5
157.08725	0.9
161.04532	0.7
163.04047	3.7
164.98633	0.5
181.72693	0.4
211.07182	0.8
212.07465	0.5
225.00871	0.7
237.47427	0.6
241.16199	0.5
261.08746	0.5
271.10898	0.7
307.14056	2.3
325.09351	0.5
336.10513	1.9
336.60730	1.1
337.15070	100.0
353.56573	0.5
705.22992	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	705.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03946	1.7
57.03447	37.4
59.01382	75.9
71.01376	34.3
73.02958	6.7
73.11467	1.5
83.01371	2.0
85.02930	10.1
89.02435	48.5
91.87449	1.6
95.01344	3.3
99.04526	15.0
101.02431	36.6
113.02452	31.6
116.92349	1.7
119.03497	21.3
125.02415	9.3
141.31940	1.6
168.09369	1.6
281.13950	2.6
328.62329	1.9
532.91089	1.8
543.27942	8.8
561.29218	81.4
603.30225	22.4
705.33484	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.8
59.01383	85.6
65.94506	1.0
70.38940	1.1
71.01378	32.7
71.41924	1.2
73.02943	1.6
73.37720	1.2
85.02942	6.0
87.00826	1.8
89.02439	54.1
91.28944	1.1
95.01375	2.5
101.02438	24.7
113.02438	20.4
119.03505	19.2
125.02433	1.9
128.89267	1.1
130.03378	1.1
131.03545	1.8
143.03499	1.4
161.04575	2.8
174.00224	1.2
179.05624	23.2
210.65210	1.2
212.93512	1.4
465.30157	1.7
490.72195	1.4
517.05884	1.9
597.34320	1.4
645.36517	100.0
687.37177	2.4
726.71667	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	705.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
66.53550	0.6
69.92504	0.8
71.01379	3.8
73.02935	1.1
77.32823	0.7
79.81635	0.7
83.01382	1.0
85.02939	2.9
89.02413	0.7
94.22862	0.7
94.81921	0.7
99.00874	1.0
101.02435	9.3
113.02437	3.8
135.12106	0.7
161.04556	3.3
168.25703	0.8
187.52042	0.8
191.49075	0.7
229.14565	1.1
291.18057	7.4
327.21713	5.4
333.19217	23.2
594.83380	0.9
690.57159	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13755	0.9
55.81974	0.8
59.01379	100.0
71.01360	11.3
73.02975	1.7
77.00178	1.0
83.01382	1.4
85.02946	6.4
88.97138	1.0
89.02428	1.2
95.17338	0.9
96.04275	1.1
96.38245	1.0
99.98637	1.1
101.02426	11.9
113.02430	6.3
122.27886	0.9
131.72220	1.0
161.04515	1.3
271.37582	1.2
320.28223	1.0
541.08710	1.2
601.40997	1.3
619.42206	10.9
661.43365	53.1
718.40302	1.1
729.30426	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	705.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01104	4.2
59.01386	100.0
71.01386	14.3
73.02944	13.3
78.31713	2.1
89.02438	12.7
101.02425	20.9
113.02449	12.8
119.03551	2.7
123.76163	2.3
146.86392	2.1
161.04602	2.8
180.71877	2.6
208.00510	2.7
221.06712	3.5
384.93842	2.6
389.43967	2.4
601.41278	15.2
619.42413	16.5
661.43219	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	705.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71692	0.4
55.65247	0.3
57.37476	0.4
58.12550	0.4
59.01383	100.0
59.43169	0.4
83.01376	7.1
87.04534	0.5
93.70951	0.5
110.47810	0.4
197.03026	0.5
255.43553	0.4
366.80777	0.5
645.38873	0.5
663.42108	0.8
705.42554	4.1
714.94202	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.423
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46431	2.2
59.01384	100.0
66.13763	2.7
71.01376	13.9
77.86065	3.1
89.02425	12.4
101.02431	4.6
112.57178	3.2
113.02425	5.2
130.21245	2.5
200.08417	3.1
245.53999	2.8
601.41101	22.6
619.42285	18.0
661.43402	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	706.418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31299	78.2
54.77571	80.1
72.93038	75.6
92.01761	78.9
96.96001	92.1
117.13397	84.8
121.59198	79.4
140.08041	73.6
185.58572	79.6
203.51524	78.6
203.80951	77.0
577.35938	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	28.0
59.82175	1.5
62.21677	1.8
71.01382	97.6
74.16402	1.8
92.22504	2.8
111.54662	2.1
125.35004	2.1
138.37488	2.0
163.70355	2.3
164.21057	2.2
467.85800	2.9
707.27393	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	707.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.8
59.21013	0.7
71.01377	3.6
73.02927	0.7
75.00861	8.2
87.00902	0.9
99.00860	3.4
101.02445	2.9
110.12076	0.8
113.02414	1.5
119.05007	59.6
121.02940	1.7
127.07638	4.4
134.03723	11.2
143.03523	8.0
149.06093	1.8
161.04491	5.5
163.04002	24.9
178.02565	0.7
179.05612	100.0
193.05064	35.2
197.26006	0.7
209.04494	3.0
325.09323	67.5
436.92902	0.9
707.24213	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	707.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.0
57.03441	1.0
59.01382	100.0
61.41706	0.7
71.01376	28.7
71.01777	1.2
73.02940	25.4
73.82371	0.7
77.81657	0.7
83.01379	5.5
85.02956	9.7
87.00860	1.0
88.76122	0.8
89.02438	17.6
92.22520	0.8
94.23612	0.8
95.01372	1.8
97.02917	1.2
98.19913	0.7
99.00883	1.6
101.02441	26.3
105.39900	0.8
113.02442	23.2
119.03497	6.5
120.60394	0.8
125.02438	1.4
142.69611	0.8
143.03499	1.2
149.04584	1.6
161.04555	4.6
179.05650	1.1
203.05634	1.1
207.60669	0.7
499.25552	8.6
517.26569	14.6
535.27686	3.2
555.28766	0.9
559.27679	53.6
577.28711	39.3
619.29773	33.1
633.96722	1.1
675.24548	0.9
707.26819	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	707.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.8
59.21013	0.7
71.01377	3.6
73.02927	0.7
75.00861	8.2
87.00902	0.9
99.00860	3.4
101.02445	2.9
110.12076	0.8
113.02414	1.5
119.05007	59.6
121.02940	1.7
127.07638	4.4
134.03723	11.2
143.03523	8.0
149.06093	1.8
161.04491	5.5
163.04002	24.9
178.02565	0.7
179.05612	100.0
193.05064	35.2
197.26006	0.7
209.04494	3.0
325.09323	67.5
436.92902	0.9
707.24213	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	707.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.8
59.21013	0.7
71.01377	3.6
73.02927	0.7
75.00861	8.2
87.00902	0.9
99.00860	3.4
101.02445	2.9
110.12076	0.8
113.02414	1.5
119.05007	59.6
121.02940	1.7
127.07638	4.4
134.03723	11.2
143.03523	8.0
149.06093	1.8
161.04491	5.5
163.04002	24.9
178.02565	0.7
179.05612	100.0
193.05064	35.2
197.26006	0.7
209.04494	3.0
325.09323	67.5
436.92902	0.9
707.24213	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	707.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	4.2
59.01381	23.4
71.01373	10.6
71.29610	0.6
72.99329	1.9
73.02941	3.6
75.00868	11.2
83.05030	0.8
85.02950	13.4
87.00877	3.3
89.02435	4.2
95.01374	4.1
99.00888	7.3
99.04491	1.0
101.02450	8.3
103.00359	1.1
113.02440	21.8
115.00338	0.9
117.01918	3.3
120.16022	0.7
129.01967	1.2
131.03535	0.8
157.01448	1.0
161.04573	2.4
161.09747	0.9
163.11308	1.4
175.02444	1.2
186.71019	0.6
187.11293	2.8
189.04099	0.8
189.09258	0.9
197.37244	0.6
205.12331	2.7
207.05084	1.1
207.08629	5.8
207.10358	7.1
231.05106	0.8
249.06178	11.1
267.07294	9.0
295.42419	0.6
496.75742	0.6
524.43207	0.7
563.17334	0.8
608.84833	0.7
707.27820	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58018	0.6
57.03457	5.8
59.01382	19.2
69.03462	0.9
71.01380	11.6
72.99309	1.3
73.02927	3.0
75.00861	9.4
75.09767	0.6
83.01371	1.7
83.05014	0.9
85.02944	13.6
87.00854	4.4
89.02437	7.2
95.01359	4.0
96.46566	0.7
99.00890	7.2
99.04513	1.2
101.02447	8.2
107.05057	0.7
113.02443	26.8
116.05097	0.8
117.01897	1.4
125.02467	0.9
129.01942	1.4
131.03459	0.9
161.09694	0.7
163.11256	4.6
175.02539	1.2
187.11299	3.2
189.09174	0.9
196.57820	0.7
207.08722	4.9
207.10361	1.4
249.06143	14.0
267.07214	13.3
293.09473	1.1
299.05804	1.0
563.16321	2.8
630.50342	0.8
675.26672	3.3
689.26678	1.6
707.27795	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61423	0.5
59.01374	3.9
67.47852	0.5
71.58792	0.5
106.06635	0.7
109.00222	0.5
123.54841	0.7
131.06158	2.2
175.98843	0.6
178.35985	0.6
203.18987	0.6
213.38115	0.6
245.70418	0.6
267.11417	6.7
323.15137	2.4
371.15375	0.7
411.91125	0.6
432.19305	1.4
467.64941	0.7
474.21396	0.8
475.22214	0.8
483.18295	0.7
487.18832	0.6
501.20169	0.9
502.20023	0.8
514.17664	0.9
515.17767	1.2
527.68610	0.6
529.20007	11.2
530.20673	1.2
531.21539	1.3
542.21906	0.6
543.21674	0.9
545.22675	2.7
557.21014	0.9
571.21533	0.7
575.23047	3.1
589.22723	3.8
590.24310	1.3
601.22150	2.6
615.23969	5.1
617.25262	21.7
661.24182	0.9
675.26190	3.3
676.26044	5.6
707.28448	100.0
718.31073	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27527	0.6
59.01381	100.0
60.97585	0.6
71.01382	9.4
71.32764	0.6
73.02941	3.6
73.41443	0.6
83.01402	1.4
85.02951	4.3
89.02419	3.0
92.22491	0.9
92.22990	1.7
99.00899	1.2
101.02446	18.3
111.65231	0.7
113.02454	7.2
117.50745	0.7
119.03473	1.4
119.05000	1.0
124.75266	0.7
125.21556	0.7
127.39616	0.7
129.01897	1.1
152.08388	1.4
153.09210	3.6
159.02983	1.4
161.04544	10.2
163.04025	0.8
166.05119	0.7
173.33182	0.7
209.06604	1.5
235.11861	36.9
277.12949	47.6
293.32217	0.8
321.12164	1.4
321.15518	7.2
351.12125	0.7
355.10272	1.6
358.27679	0.7
375.05145	0.7
385.18643	8.7
472.42477	0.9
484.56799	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03975	0.3
59.01361	0.7
63.56299	0.3
71.01392	0.4
88.55367	0.3
109.06589	3.0
115.26668	0.3
117.02288	0.4
127.07648	100.0
163.04042	0.6
163.18761	0.4
163.75119	0.4
171.06631	57.5
179.05605	1.7
266.61047	0.4
535.27985	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41658	0.5
59.01380	40.4
71.01372	14.3
72.99287	0.6
73.02949	0.8
75.57382	0.6
78.12489	0.7
79.53910	0.7
85.02924	1.4
89.02437	20.4
95.29430	0.7
99.00842	1.3
101.02448	15.5
113.02469	9.6
119.03481	9.5
125.56417	0.7
140.35283	0.7
141.09218	12.7
159.10263	1.5
161.04570	3.1
188.52570	0.8
191.01309	0.7
235.11916	6.3
277.12912	8.7
321.15573	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01131	1.1
59.01380	31.7
59.81422	1.1
71.01382	14.3
73.02949	5.6
81.51778	1.3
85.02950	5.7
87.00863	1.7
89.02440	23.2
91.38544	1.3
97.02960	3.0
101.02418	17.5
111.08133	7.7
113.02449	9.2
119.03477	5.6
119.08687	2.2
125.02436	5.6
126.89177	1.4
127.18900	1.8
137.09715	2.3
154.69366	1.6
154.98322	1.5
161.04649	2.4
167.10760	1.8
169.12305	2.4
171.10260	21.9
183.13794	1.6
185.11894	5.0
197.11833	42.9
200.35530	1.8
209.15457	7.1
211.13383	6.0
221.06644	2.0
229.19598	1.7
233.15492	1.9
235.08191	2.8
251.16862	4.6
263.20145	3.4
273.18716	3.0
288.39932	1.6
291.19717	17.7
309.20746	100.0
397.13556	36.5
415.14624	46.9
538.40332	1.7
689.34210	2.3
707.34778	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	707.402
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17924	0.8
57.03427	0.8
59.01381	100.0
60.54784	0.6
71.01373	22.2
73.02932	1.9
73.84293	0.7
83.30099	0.8
85.02956	3.8
85.19469	0.8
86.67308	0.8
87.38855	0.7
89.02432	26.9
92.23101	1.0
92.48243	0.8
95.01411	1.3
101.02444	17.1
113.02439	14.3
119.03490	11.6
161.04688	1.0
171.10179	1.0
179.04210	0.8
179.05586	7.9
207.00912	0.8
243.74455	0.9
283.02441	13.2
297.07700	1.9
298.04846	29.8
299.05661	4.1
386.37778	0.9
407.13339	1.0
545.66058	1.1
587.17914	1.5
607.16766	3.6
629.37250	1.8
631.15906	1.1
637.10065	0.9
647.38135	51.1
675.15540	6.4
707.40405	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	707.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88311	0.7
57.03450	3.2
59.01384	68.4
59.37804	0.7
71.01380	23.4
71.05025	1.0
73.02944	5.4
83.01377	1.6
85.02957	6.4
89.02439	23.3
95.01391	1.0
97.02935	1.9
101.02445	18.4
113.02455	11.7
119.03488	9.4
125.02426	2.8
143.03549	1.7
159.84979	0.7
161.04546	1.3
179.05577	4.2
189.44984	0.8
273.18677	1.2
285.86960	0.8
309.20822	9.0
339.88559	0.8
348.40820	0.8
385.23764	2.0
415.14291	3.0
485.32889	1.1
516.27020	1.0
522.68732	0.9
613.59058	1.0
629.36920	3.3
643.58606	0.8
647.38129	100.0
697.33362	1.1
707.38464	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	707.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20351	1.2
57.03461	1.4
59.01381	100.0
66.03246	1.6
71.01376	38.7
71.05009	1.4
72.99306	1.8
73.02914	2.0
75.72748	1.2
85.02946	7.7
87.00860	1.6
89.02436	54.6
92.22559	1.6
95.01343	4.2
101.02440	29.3
107.97157	1.2
113.02425	23.8
113.06067	6.7
119.03474	19.6
149.04607	1.4
179.05624	12.3
291.19757	6.1
309.20825	11.6
397.13602	1.9
415.14648	7.5
449.30319	2.5
551.52161	1.5
561.31445	2.0
603.35406	5.6
629.37036	91.6
647.27502	2.3
647.38110	59.5
707.38989	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	707.4025
Annotation	CHEBI:69158
Peak:m/z	Relative Intensity
56.75849	1.2
57.03436	1.8
59.01384	100.0
62.64746	1.3
71.01378	44.0
71.05003	1.9
73.02942	36.1
83.01372	8.9
85.02949	13.8
89.02438	21.6
94.24349	1.4
95.01344	5.2
101.02434	39.1
113.02430	32.0
113.06075	1.7
119.03488	9.6
125.02458	2.0
131.03487	1.8
161.04526	8.9
179.05550	2.8
314.00134	1.8
485.32797	2.6
647.38123	54.7
665.39307	18.3
707.40228	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	707.403
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49122	1.2
57.03432	6.2
59.01384	75.7
59.01683	2.6
71.01380	33.0
83.01402	1.3
85.02950	6.0
89.02438	35.7
90.97501	1.0
99.04472	6.2
101.02436	21.5
111.96769	1.3
113.02426	14.8
117.48682	1.2
119.03486	16.1
125.02401	2.2
143.03464	1.6
161.04607	1.3
179.05634	8.4
425.83969	1.3
556.10638	1.4
566.21613	1.5
663.39771	2.3
693.92743	1.3
707.40240	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81460	0.3
55.94738	0.2
59.01381	100.0
73.92226	0.3
80.83057	0.3
86.07799	0.3
89.05482	0.3
151.12454	0.3
240.27367	0.3
244.48097	0.3
277.18597	0.3
299.22183	0.3
312.18372	0.3
412.24612	0.3
440.06009	0.3
520.22510	0.3
707.44183	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	707.4383
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.51633	1.3
63.48521	1.2
132.58908	1.6
180.09367	1.6
184.96568	1.5
487.21954	1.7
654.26636	1.9
707.43311	2.1
725.20374	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	709.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.1
59.01378	7.7
64.44129	0.6
72.80462	0.7
73.02937	0.9
89.02441	1.2
92.22499	0.9
101.02458	3.2
113.02431	1.0
125.02470	0.8
128.42888	0.8
140.32753	0.8
145.02866	0.8
165.01895	1.0
175.04001	1.9
193.24699	0.7
209.60297	0.8
227.03479	1.2
240.04330	1.2
243.06622	0.8
255.02997	8.1
256.03677	4.3
271.06134	3.4
283.02487	15.6
284.03293	41.9
298.04825	14.8
299.05634	100.0
317.14749	0.8
341.10391	0.9
442.16989	1.0
553.24451	1.0
649.38757	3.7
665.17285	57.2
665.34808	1.5
709.21155	6.9
709.41162	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	709.1632
Annotation	Peonidin 3-(6'-malonylglucoside)-5-glucoside
Peak:m/z	Relative Intensity
52.44355	0.4
56.30889	0.4
58.95382	0.4
62.83747	0.4
63.42617	0.4
78.84082	0.5
79.62746	0.5
81.73618	0.5
93.03471	0.6
95.81698	0.5
96.06992	0.5
114.28923	0.5
122.92087	0.5
165.01918	16.4
170.22850	0.5
240.04094	1.9
255.03075	0.8
255.06654	0.9
256.03815	0.6
271.06155	17.3
283.02493	14.2
284.03305	9.1
297.03912	0.6
298.01413	0.9
298.04840	32.9
299.05630	100.0
303.68402	0.6
341.06729	0.9
373.91678	0.6
461.10980	26.0
503.12042	30.7
541.53912	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76176	0.6
60.99294	1.0
63.28914	0.6
67.01879	2.8
87.00843	4.5
88.28459	0.6
93.03439	21.1
94.45927	0.7
104.69949	0.6
107.47712	0.6
111.04491	3.3
116.75112	0.6
134.03755	4.8
137.02512	0.8
142.53670	0.6
149.06006	0.9
152.01273	0.6
154.17900	0.6
155.03511	2.4
173.04535	47.0
175.03943	0.9
191.05618	100.0
193.05037	12.6
273.72870	0.7
340.21933	0.9
367.10355	76.3
439.38242	0.8
444.60736	0.7
459.13635	0.7
567.99835	0.7
635.56488	0.8
636.26202	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29838	1.9
59.01359	1.9
59.59051	1.8
61.98838	3.4
65.70950	1.7
73.53642	2.0
98.13587	2.0
98.31923	2.0
156.84187	2.0
217.65602	2.3
277.21497	2.4
316.72491	2.5
482.15555	2.8
520.06964	2.3
532.38550	2.2
550.93457	2.2
581.73383	2.4
709.22968	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31329	0.8
59.01391	1.3
63.45215	0.7
72.07600	0.9
91.06550	1.0
99.71151	0.8
106.15758	0.9
134.03732	51.3
137.02434	4.0
144.17619	1.1
149.06058	18.6
149.45294	0.9
152.78152	0.9
177.38101	0.8
178.02715	35.7
193.05064	100.0
197.40634	0.9
313.56107	1.1
343.21164	1.0
441.13391	2.0
456.15521	1.1
471.18127	17.3
509.09174	0.9
515.16858	8.0
544.19391	0.9
565.08252	1.1
586.52399	1.1
685.12262	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
71.01379	10.6
71.33851	0.6
73.02940	3.0
83.01405	0.9
85.02939	5.0
89.02426	6.1
99.00888	1.6
100.60587	0.6
101.02436	19.1
113.02454	10.0
119.03460	1.2
154.90102	0.7
159.02977	3.1
159.10228	0.9
161.04514	10.8
164.53204	0.7
204.67380	0.7
227.29732	0.9
235.11893	35.8
277.12939	52.6
316.06213	0.8
321.11865	2.5
321.15521	15.5
373.77225	0.7
387.20224	19.4
472.67084	0.8
503.44046	0.8
553.65875	0.8
573.04230	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87796	1.1
57.52270	1.2
59.01380	15.4
67.01871	1.4
71.01376	8.6
85.02954	2.6
87.04516	10.1
89.02437	10.7
101.02441	9.4
103.81849	1.5
113.02390	2.4
119.03453	3.1
125.02454	1.6
131.03525	1.7
135.62396	1.5
149.88312	1.4
153.19972	1.7
161.04747	1.8
191.02898	1.7
215.42793	1.5
223.17029	58.4
232.13908	2.0
234.22025	1.4
235.17088	7.0
251.16495	2.1
275.20203	8.3
293.21118	15.2
311.22296	100.0
331.36856	1.6
397.13263	2.5
415.14648	25.8
420.89371	1.6
684.78711	2.5
709.36530	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	709.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43221	0.7
59.01379	22.3
69.03453	0.9
71.01375	14.3
73.02940	1.3
78.37697	0.9
85.02958	2.1
87.00866	4.2
89.02442	19.7
97.02966	1.7
99.08155	0.9
101.02441	12.8
113.02486	7.6
113.09727	3.6
119.03545	3.4
125.02429	4.7
129.09201	5.6
139.11290	4.9
143.03522	2.0
155.10829	1.0
161.04498	2.7
167.10770	0.9
169.12390	1.3
171.10255	13.1
179.05655	1.1
181.12341	7.3
183.10295	1.2
183.13913	1.6
185.11789	0.9
193.12289	1.1
197.11867	14.8
199.13411	7.2
201.11343	1.4
211.13437	26.6
221.06688	1.4
223.25452	1.0
235.08240	3.6
253.09230	1.1
265.21780	1.0
275.20151	3.8
293.21243	21.7
309.51953	1.0
311.22302	100.0
369.14844	0.9
389.38348	1.0
397.13538	25.8
415.09399	1.7
415.14658	40.1
501.16522	1.0
531.69165	1.2
605.40576	1.1
709.36554	36.3
711.02063	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	709.366
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.2
57.16916	0.9
57.28309	0.9
58.43034	1.0
59.01384	25.1
70.20128	1.1
71.01383	14.1
73.02961	1.3
78.20712	1.0
78.96856	0.8
80.08195	0.9
85.02954	4.1
87.00910	1.7
89.02454	17.0
97.02924	1.6
99.00906	1.1
99.08150	4.1
101.02432	15.8
107.40974	1.0
113.02442	6.2
113.09721	1.0
119.03500	4.5
123.08112	1.0
125.02443	4.4
129.09235	6.4
149.32481	0.9
150.64851	0.9
151.11351	1.0
161.04538	1.3
169.12340	4.6
171.10280	6.1
177.12871	1.2
181.12363	7.9
183.13905	4.0
193.12360	1.7
197.11833	13.4
199.13383	7.6
211.13440	26.6
221.06717	1.2
235.08226	2.1
275.20294	1.8
293.21237	20.7
311.22330	100.0
327.03326	1.3
339.36780	1.3
397.13538	28.0
415.14612	33.0
415.20117	1.5
691.35583	1.3
709.36359	32.9
725.58429	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	709.3665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03240	3.7
57.03455	61.7
58.09219	4.4
59.01382	100.0
63.02496	3.5
64.25092	3.3
71.01373	21.8
85.02952	7.0
86.71828	4.5
89.02444	10.3
92.23107	6.1
98.10088	4.3
99.04520	49.7
101.02438	25.2
113.02444	22.9
119.03486	5.6
125.02449	27.2
138.86816	3.9
255.03122	5.5
265.05371	7.8
283.06461	40.2
284.03278	17.8
285.03973	16.1
299.05548	9.4
311.06055	5.6
317.26971	9.0
381.13684	34.8
391.19611	4.4
438.01468	4.3
461.31256	35.1
479.32556	6.9
498.10385	4.7
503.32401	21.2
515.87909	4.7
521.33362	67.4
563.33264	6.3
565.32196	5.3
599.46472	4.5
649.39636	20.9
665.15088	10.2
665.37646	66.1
709.37408	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	709.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66366	2.9
50.67035	2.5
59.01372	6.6
61.41079	2.8
66.18188	2.7
74.32314	2.9
78.97974	3.1
84.53672	3.3
140.52933	4.3
173.50247	3.5
181.34900	3.3
187.37090	3.4
201.72379	3.3
243.58934	3.9
286.10831	3.6
611.08099	4.1
709.37262	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	709.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82262	1.2
59.01376	5.2
71.01363	2.5
78.98598	2.4
79.75146	1.1
79.95705	2.1
80.96513	44.2
81.11666	1.2
85.02876	1.8
87.00837	1.6
94.86325	1.3
94.98071	11.6
101.02484	1.9
114.83429	1.3
122.35432	1.2
122.97549	2.0
125.02431	1.9
134.97549	1.9
136.99104	1.4
148.99121	9.8
152.98643	7.5
158.71165	1.2
164.98621	21.2
171.10265	2.4
191.90372	1.2
206.99725	6.8
225.00749	32.8
309.80994	1.6
358.51657	1.6
371.01794	1.6
440.05807	1.5
453.14139	5.4
469.94220	1.4
537.27740	1.6
559.04376	1.4
615.90179	1.4
660.24786	1.6
709.38495	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.2
71.01372	5.0
73.02916	1.3
73.04318	0.5
78.98571	4.4
79.95713	3.9
80.96512	44.0
85.02949	0.7
87.00846	2.0
94.98061	11.7
97.02939	2.3
99.94475	0.6
101.02414	2.9
106.98082	1.3
113.02419	0.6
120.67005	0.5
122.97562	3.9
125.02431	4.5
127.03950	0.6
134.97571	4.4
136.99142	0.8
139.15425	0.5
148.99146	7.3
152.98633	10.1
164.98619	19.7
167.00192	0.9
171.10239	2.9
188.98660	0.6
206.99696	4.9
225.00752	35.9
255.23318	3.7
386.31042	0.6
453.14526	5.9
537.27429	3.5
709.38464	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	0.5
59.01380	57.4
61.70364	0.4
71.01375	21.8
72.99277	0.7
73.02951	0.6
75.00861	2.1
76.72726	0.6
82.03825	0.4
83.01361	1.0
85.02946	4.2
87.00871	0.8
89.02438	30.2
92.22454	1.0
95.01378	2.2
99.00921	0.6
101.02435	16.1
113.02448	11.2
119.03476	9.8
179.05608	2.0
188.59000	0.5
194.91133	0.6
210.01335	0.6
211.13242	0.7
311.22247	1.0
323.35809	0.5
373.78809	0.6
381.76169	0.7
529.35864	1.0
649.39026	4.3
709.41833	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31180	1.5
57.03441	2.6
59.01378	58.4
61.21086	1.5
61.98826	7.7
66.28152	1.6
71.01373	34.2
72.99310	1.9
73.02937	4.4
73.64720	1.8
75.00864	3.0
80.11140	2.0
83.01343	2.0
85.02946	12.2
87.00880	2.4
89.02431	31.2
95.01350	2.1
101.02440	27.3
113.02425	12.7
119.03487	12.7
145.20494	2.0
179.05569	3.1
342.61343	2.4
487.34198	3.9
567.74573	2.2
631.38501	10.8
649.39520	100.0
709.42462	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	709.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47410	0.6
53.45701	0.6
53.78176	0.6
59.01381	100.0
71.01376	18.7
72.99320	1.3
73.02978	0.7
75.00860	1.0
80.16769	0.7
85.02950	3.3
87.00832	0.9
89.02435	26.6
101.02431	12.3
113.02435	10.4
119.03499	10.1
143.03510	1.5
161.04599	1.6
179.05603	13.7
227.33997	1.0
238.43011	0.9
239.62846	0.8
249.79240	0.8
289.31506	0.8
298.04858	1.3
299.05530	4.2
345.82416	1.0
345.91287	0.8
470.20789	1.0
499.35678	1.1
649.39624	56.3
709.41858	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	709.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47220	1.0
56.05702	1.0
57.76121	1.0
59.01383	35.7
65.15147	1.1
71.01375	23.3
73.02949	4.0
75.00865	20.9
83.01398	1.6
85.02945	7.4
85.06950	1.2
89.02444	31.0
92.22508	1.5
95.01352	2.3
99.00913	1.2
101.02429	22.6
113.02437	14.9
119.03493	9.7
127.36572	1.1
132.88106	1.3
298.04861	1.8
299.05624	5.6
485.32748	2.8
487.34122	5.6
488.80362	1.2
649.39661	100.0
709.41992	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	709.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69637	0.9
57.03445	5.6
59.01382	76.7
61.25276	0.9
64.86874	1.0
71.01006	1.6
71.01379	27.1
73.02946	4.4
82.35921	1.0
83.01360	1.6
85.02950	7.6
89.02438	32.2
92.81878	0.9
95.01360	1.5
99.04488	1.8
101.02439	18.1
113.02447	13.9
119.03506	12.0
125.02370	1.4
143.03448	1.5
163.53169	1.0
169.58900	1.0
171.57104	1.1
179.05617	5.4
256.83142	1.1
299.05618	4.0
406.18512	1.1
461.31732	1.4
487.34656	2.4
521.33392	4.2
649.39630	100.0
665.37482	2.4
709.40729	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	709.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.9
59.01381	58.7
69.94362	0.5
71.01378	23.8
72.99308	0.7
73.02922	0.8
75.53092	0.6
77.56792	0.6
80.56236	0.6
83.01387	1.2
83.97362	0.6
85.02951	5.2
88.93764	0.7
89.02434	36.6
90.08751	0.6
95.01358	0.7
99.00884	0.6
101.02438	19.0
104.42202	0.6
107.30668	0.6
113.02444	14.4
113.23799	0.6
117.60541	0.6
119.03493	11.8
125.02469	0.6
131.68454	0.5
141.52341	0.6
179.05530	1.1
201.43631	0.7
244.68440	0.6
283.02301	0.7
299.05511	1.4
649.39624	100.0
665.37317	0.9
667.39252	0.9
709.40680	3.8
730.69537	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96501	0.7
57.03441	3.4
58.00576	0.8
58.66162	0.7
59.01383	100.0
60.65152	0.7
62.18512	0.7
70.13783	0.8
71.01377	16.5
74.38191	0.7
75.14256	0.7
77.75356	0.7
80.64817	0.8
85.02944	1.3
89.02440	29.7
99.04514	1.4
101.02443	11.9
104.84161	0.8
113.02443	11.0
119.03494	11.5
125.02477	0.9
161.04576	1.5
179.05600	9.5
199.49553	0.8
261.49945	1.0
493.28253	0.9
502.24249	0.9
565.13782	5.2
649.39679	62.6
709.41779	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	709.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68608	0.4
59.01381	81.4
71.01378	26.0
73.02924	1.2
84.77631	0.5
85.02959	4.5
86.35829	0.5
87.00816	0.5
88.13384	0.5
89.02435	35.5
92.23208	0.5
95.01378	2.3
97.36588	0.6
101.02435	17.5
104.79740	0.5
113.02437	11.4
113.06057	0.6
118.26555	0.5
119.03493	13.3
119.50691	0.5
139.08232	0.5
143.03574	0.7
149.04614	0.6
161.04530	2.6
179.05612	11.5
204.93314	0.6
649.39661	100.0
709.42200	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	709.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47812	0.6
57.03437	1.0
57.08953	0.5
59.01380	100.0
61.71348	0.6
64.32530	0.8
71.01378	14.4
73.02962	3.7
74.60796	0.7
83.01360	0.9
85.02946	5.4
89.02431	14.0
89.65591	0.6
95.01357	1.3
99.00897	0.8
101.02440	13.4
106.96155	0.7
113.02436	7.3
119.03481	4.5
132.99252	0.6
161.04558	4.6
161.44559	0.8
179.05624	3.3
187.31430	0.7
198.63759	0.7
284.03192	0.8
298.05344	0.9
457.33417	1.0
487.34567	1.3
649.39600	53.4
709.41797	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	709.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	7.0
59.01378	100.0
59.51445	1.2
71.01375	38.9
72.57369	1.1
73.02922	4.9
79.24396	1.1
80.48370	1.1
83.01369	4.9
85.02945	10.3
85.66548	1.2
87.00870	1.6
89.01876	1.7
89.02432	51.8
95.01396	3.7
96.96043	1.3
99.04499	2.7
101.02432	34.0
111.00873	1.6
113.02425	25.0
113.49387	1.3
119.03491	18.5
125.02402	2.8
126.08176	1.3
131.03453	1.7
136.08612	1.3
143.03456	1.8
159.46136	1.4
161.04593	2.5
167.69478	1.3
169.21222	1.4
179.05585	12.1
204.67827	1.5
565.32397	9.6
631.38580	62.5
649.39349	69.4
665.37982	4.0
667.39325	2.5
709.38647	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	709.4542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52427	2.0
52.79025	2.3
57.03453	83.2
58.62411	2.9
59.01382	49.7
66.19213	2.0
99.04516	100.0
101.02442	14.6
118.38779	2.3
119.87493	2.7
125.02451	34.7
126.77966	2.6
142.83090	2.8
153.62389	2.6
240.02257	2.5
277.21814	48.2
298.88248	2.7
709.45135	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	710.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55574	0.7
58.02969	0.8
59.01382	77.8
61.91295	0.6
63.08374	0.7
64.90539	0.6
71.01370	11.1
73.02948	7.1
83.01379	6.1
85.02936	4.3
89.02429	3.7
90.28001	0.7
91.83794	0.8
92.23095	1.3
99.00876	1.4
100.04049	1.0
101.02438	19.8
103.71210	0.7
103.98126	0.7
113.02446	8.9
119.03481	1.5
142.05005	0.9
147.17130	0.7
159.02930	1.0
161.04533	4.0
281.73758	0.8
299.05447	1.4
300.06030	0.9
361.22397	4.1
385.22284	1.3
398.30579	0.8
403.23599	8.4
409.22281	1.1
421.24466	7.7
427.23370	6.3
445.24432	11.2
463.25562	100.0
469.24533	10.2
487.26071	1.1
505.26382	9.2
547.27820	1.1
565.28674	1.4
650.39423	3.6
710.41675	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	711.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63237	0.4
57.24558	0.5
59.01384	0.6
65.39495	0.5
85.02937	2.5
99.00867	0.8
119.04987	3.0
121.02954	1.1
129.01936	2.3
136.93039	0.6
142.19167	0.5
142.54987	0.5
145.03056	0.8
151.00377	8.1
153.60925	0.5
154.18227	0.5
163.04005	8.4
178.99863	9.6
191.60707	0.5
209.06667	11.7
249.06114	0.5
255.02991	3.4
255.34288	0.5
271.02603	5.3
273.04071	1.1
299.01938	1.1
300.02777	100.0
301.03564	69.3
355.10361	15.2
456.48758	0.5
463.08871	21.7
505.09949	47.2
579.86456	0.6
667.15234	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	711.2149
Annotation	Isoliquiritigenin 4'-O-glucoside 4-O-apiofuranosyl-(1'''->2''')-glucoside
Peak:m/z	Relative Intensity
50.62159	0.6
52.55894	0.5
57.03445	2.8
59.01380	6.5
63.42288	0.5
65.46527	0.5
69.03452	1.2
71.01378	2.5
72.48622	0.7
72.99307	1.1
73.02962	1.0
75.00843	0.7
75.69026	0.6
77.10566	0.7
77.94359	0.6
80.62790	0.6
83.01389	1.1
85.02942	15.4
87.00424	0.5
87.00847	4.9
87.04516	1.0
89.02434	1.1
97.02935	4.5
99.00877	5.3
101.02448	2.4
109.10679	0.6
111.00895	1.3
113.02437	3.3
115.03996	3.9
119.05015	27.3
121.02922	5.2
129.01936	17.1
130.87367	0.7
141.01938	2.6
145.02939	3.1
159.02982	3.1
161.04581	0.9
163.04007	77.3
179.05603	4.1
191.05684	4.5
209.04587	8.5
209.06644	60.2
235.11855	0.7
236.12213	0.6
325.09332	11.1
355.10376	100.0
369.82187	0.6
414.48080	0.7
508.48645	0.7
711.26978	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	711.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.7
59.47530	0.4
66.63423	0.5
71.87230	0.4
82.80957	0.4
85.02955	5.8
87.00845	1.0
96.51038	0.5
99.00908	0.7
101.94106	0.5
108.53200	0.4
111.00880	0.6
114.13308	0.4
114.95871	0.5
119.05015	39.2
129.01935	4.7
134.03706	1.1
136.32445	0.4
159.02998	2.1
163.04005	100.0
175.70291	0.5
179.05679	0.6
191.05592	5.7
193.04950	3.5
199.81364	0.4
209.06682	32.2
215.14136	0.5
309.06711	0.5
355.10370	63.5
424.44537	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.4
60.56116	3.0
62.96317	3.8
67.67442	3.5
85.02934	18.8
119.05000	29.2
129.01926	4.7
153.64368	4.2
163.03993	90.5
209.06664	100.0
251.03403	3.9
355.10361	78.8
544.61536	4.7
741.53650	4.1
742.06897	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	711.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	3.3
59.01375	2.0
63.93557	0.4
68.99813	0.7
69.03455	0.9
71.01379	3.1
72.99309	2.5
79.21193	0.4
80.64841	0.4
83.01379	1.8
85.02944	16.0
87.00881	5.1
87.04494	2.0
89.02412	1.0
97.02953	4.7
99.00871	6.1
101.02418	0.5
111.00857	2.5
113.02402	0.9
115.03982	4.1
119.05018	20.4
120.66912	0.5
121.03004	0.5
129.01938	20.2
134.03717	4.4
141.01917	3.5
145.02962	4.4
149.06125	1.0
151.00368	5.8
157.53952	0.4
159.03014	4.1
163.04013	49.7
178.99864	6.0
179.05606	1.7
191.05637	6.3
193.05055	10.4
209.06688	82.5
255.02910	0.6
271.02478	2.4
300.02771	51.0
301.03549	37.6
355.10391	100.0
463.08871	10.9
505.09949	23.6
667.15448	7.6
711.22058	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2156
Annotation	Liquiritigenin 7-glucoside-4'-apiosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
59.01376	1.4
63.10374	0.2
67.34484	0.4
68.82988	0.3
71.01371	0.8
73.02940	0.4
85.02950	0.7
87.32813	0.3
101.02432	0.7
109.02942	5.8
113.02466	0.5
121.02946	15.5
122.03751	2.7
123.04444	0.4
135.04529	15.8
139.39775	0.3
147.04506	2.0
153.05595	0.5
164.04773	1.2
165.12808	0.4
179.07137	4.2
183.13916	0.6
271.06189	4.2
275.79395	0.3
286.08490	19.5
299.48685	0.3
301.10834	100.0
445.15353	0.4
463.16150	37.3
505.17203	11.6
600.30768	0.4
602.24829	0.4
643.04803	0.4
711.24597	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	711.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75539	0.5
59.91880	0.5
68.50770	0.5
77.10303	0.6
85.02924	0.7
113.40720	0.7
119.05019	54.9
135.29651	0.7
137.06122	0.7
150.57085	0.8
163.04012	100.0
164.04762	3.2
179.05605	5.6
179.07112	1.9
179.12868	0.8
208.03728	2.9
223.06099	4.3
325.09338	25.5
543.19379	0.7
547.55383	0.8
710.34723	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96755	1.0
59.01376	2.7
63.68583	1.1
67.74520	1.1
68.92644	1.1
71.01371	1.3
74.31570	1.1
94.02335	1.1
113.02455	2.0
116.69085	1.2
121.05304	2.3
122.06115	7.8
138.05603	1.2
160.04039	6.7
163.04028	4.6
172.04057	5.0
172.78496	1.2
179.05487	1.3
203.05890	5.3
204.06651	12.5
225.06447	1.4
229.09889	1.5
230.11916	1.8
235.64442	1.3
239.08276	7.0
240.09077	5.6
251.11902	8.4
252.12794	1.3
253.09712	2.2
266.06967	1.8
267.07767	11.4
267.11365	6.5
268.08646	2.0
268.12308	2.5
279.07819	2.4
280.08618	5.6
281.09326	7.7
283.11060	1.5
285.08847	1.5
293.09201	2.7
294.10104	10.0
295.10898	45.2
296.11700	32.5
299.10449	4.7
307.10696	1.4
311.10303	8.8
313.11975	1.7
327.13559	15.5
328.10632	7.0
329.11691	2.0
335.12595	2.9
339.09869	2.1
343.12891	1.8
360.14197	1.8
362.15012	1.8
374.18835	2.0
388.13113	6.1
402.15097	2.3
403.15378	2.3
406.14154	5.7
406.18460	2.4
416.16061	1.4
417.16824	1.9
418.06818	1.4
418.17847	17.5
420.15527	5.4
434.17276	2.5
435.17792	4.5
436.18808	10.2
448.15256	4.4
452.16040	1.4
463.17206	1.3
479.17172	2.1
480.17838	8.2
482.20221	1.4
488.66089	1.4
511.19531	10.1
512.20337	17.3
556.59576	1.3
619.24371	12.8
636.75580	1.3
647.24164	8.0
651.27026	17.8
661.25031	1.8
679.26422	63.3
679.38153	2.5
693.27765	19.1
711.28931	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88565	1.0
57.03452	34.1
58.39050	1.1
59.01377	47.9
71.01381	21.8
73.02940	11.5
75.00854	1.3
77.17186	1.1
81.03472	1.5
83.01376	5.2
85.02929	12.5
89.02440	2.5
92.23055	1.7
95.01331	1.2
97.02934	5.6
99.00867	3.1
99.04507	18.5
101.02436	43.4
113.02430	20.2
122.94587	1.2
125.02418	12.1
143.03470	4.5
159.02928	5.3
161.04539	28.0
185.75777	1.2
207.08748	100.0
215.67715	1.2
246.94948	1.4
247.51149	1.4
275.07767	28.8
284.03235	2.5
291.18198	28.6
333.19012	2.0
359.17175	21.8
401.18130	5.2
413.47830	1.5
435.22144	1.8
495.07935	1.6
501.72107	1.3
503.21805	1.5
526.29529	1.5
567.26642	71.2
567.35400	3.1
609.27588	14.9
649.31281	2.5
651.40601	6.3
711.30963	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	711.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26413	1.0
56.62094	1.3
56.79501	1.2
59.01372	2.3
89.02437	2.1
101.02435	3.2
105.49842	1.3
127.38699	1.5
133.95016	1.3
153.96376	1.3
196.00273	1.5
225.22499	1.5
277.21704	11.3
279.63721	1.7
281.15689	1.5
352.39035	1.4
397.13654	10.9
415.14423	1.9
675.36041	9.0
711.33716	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52257	1.7
59.01383	3.1
61.98851	1.8
68.03613	2.0
70.80021	1.9
71.01379	2.3
77.87415	1.8
89.02439	3.8
91.67267	1.8
101.02399	2.5
117.32128	2.0
206.45428	2.1
224.92740	1.8
277.21808	9.2
362.54010	2.2
397.13480	16.4
504.20132	2.2
508.32098	2.4
675.36035	10.8
711.33746	100.0
711.45258	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	711.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96001	1.1
57.03453	13.8
57.07595	1.1
59.01380	71.7
61.98829	11.0
64.85470	1.5
71.01376	42.3
73.02936	9.1
74.75266	1.1
79.41997	1.3
83.01379	5.8
85.02950	15.2
87.00852	2.2
89.01942	2.1
89.02441	34.0
97.02892	1.5
99.00871	2.4
99.04504	8.9
101.02438	48.0
111.00842	2.7
113.02435	27.6
119.03503	14.0
125.02423	7.3
143.03482	5.8
159.02997	6.3
161.04568	11.8
203.36394	1.4
241.74333	1.3
242.78557	1.3
268.88129	1.5
326.99402	1.7
405.24750	8.3
405.29559	11.8
548.31488	1.6
549.33032	5.2
567.33936	48.8
609.34869	6.6
625.37329	1.6
650.39410	1.5
651.40826	88.7
667.39453	1.9
678.35980	1.5
711.38165	100.0
736.48547	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	711.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	13.6
62.94488	8.3
71.60271	8.9
102.50407	9.8
147.43390	8.8
171.10284	10.9
237.41707	10.6
325.20203	21.3
329.23221	12.4
711.37482	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.389
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07968	1.4
61.98885	1.4
63.53752	1.3
66.72681	1.3
76.82136	1.4
80.45901	1.7
88.40293	1.4
96.37341	1.6
123.82011	1.5
130.68008	1.6
131.14420	1.7
133.14806	1.6
178.68044	1.7
186.94727	1.7
241.61423	1.5
280.16602	2.0
345.71985	1.9
461.08664	1.9
711.39032	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	68.3
71.01373	32.5
73.02940	1.5
80.33864	0.8
83.01389	1.0
85.02947	5.1
86.67637	0.8
87.00829	1.3
89.02438	43.9
95.01376	2.0
101.02438	23.7
106.85614	1.0
113.02435	13.8
119.03486	6.7
119.16320	0.9
133.87688	0.9
134.10948	0.9
138.07097	0.9
143.03415	1.3
161.04498	0.9
173.28888	0.9
174.40218	0.9
179.05644	1.7
190.76152	1.1
203.08234	1.3
209.72609	0.9
210.18301	0.8
245.09262	1.2
420.23279	1.0
429.50156	1.4
464.25668	1.3
503.28857	1.4
521.29834	4.0
563.30811	4.1
581.31708	4.2
623.33307	1.5
638.47418	1.0
651.41217	100.0
711.41650	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	711.433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61256	0.3
58.90741	0.4
59.01380	62.3
71.01374	23.9
72.99301	0.6
73.02939	0.7
83.01385	0.7
85.02946	4.5
87.00344	0.4
87.00844	0.8
89.02435	37.7
92.22515	0.8
95.01360	1.7
99.00887	0.5
101.02436	16.1
108.61472	0.4
113.02441	11.4
119.03485	13.2
131.03534	0.8
143.03482	0.7
149.04564	0.5
150.69217	0.4
161.04590	1.0
179.05614	4.0
420.16672	0.4
488.73828	0.5
546.51270	0.5
651.41223	100.0
711.43542	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	711.4338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.1
59.01382	74.6
69.70521	0.9
71.01373	17.7
72.21921	1.1
73.02938	5.4
80.30550	1.2
83.01382	1.5
85.02939	7.8
89.02451	12.8
99.00880	2.2
101.02438	16.6
105.19473	1.1
111.00855	1.3
113.02431	11.3
119.03502	5.0
125.02422	1.6
141.84654	1.4
171.82462	1.2
182.35338	1.1
224.84137	1.2
247.06317	1.4
357.62915	1.2
432.01785	1.2
471.35010	2.4
489.35730	12.0
651.41205	100.0
711.43750	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	711.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62239	0.8
56.12378	1.0
57.03453	2.2
59.00016	0.8
59.01382	100.0
61.36249	0.9
64.10962	0.9
70.32669	0.7
71.01371	14.1
72.48745	0.8
72.82005	0.9
73.02938	5.5
80.86172	0.9
81.99046	0.8
82.02919	0.8
83.01383	1.6
84.73716	1.0
85.02935	6.9
89.02428	4.5
91.06187	1.1
91.27941	0.8
99.00865	1.5
99.04512	1.7
101.02431	16.2
113.02435	8.5
119.03458	1.3
137.57964	0.9
150.42056	1.0
160.20534	1.1
161.04573	2.3
196.60728	0.9
523.60779	1.0
567.12817	1.7
651.41284	54.7
662.26575	1.1
695.40613	2.0
711.17639	1.5
711.43335	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	711.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65366	0.5
56.38058	0.7
57.03420	0.7
59.01384	100.0
60.26724	0.6
62.23288	0.6
64.29823	0.7
64.79684	0.8
70.23178	0.6
71.01379	7.0
73.02935	1.1
74.56419	0.7
84.26625	0.7
85.02959	3.4
101.02455	4.5
101.92963	0.6
113.02420	3.2
114.75752	0.7
161.04526	3.5
375.42319	0.7
400.97699	0.8
638.25903	0.8
651.41290	26.3
711.43402	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	711.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	89.3
58.21100	2.8
58.24338	3.1
59.01381	70.8
61.47305	3.6
61.84493	3.4
78.95925	3.3
99.04514	100.0
101.02451	19.0
113.63406	4.2
125.02426	57.7
155.73325	4.6
198.72452	4.1
208.64261	3.7
235.17061	5.0
275.20273	7.9
279.23273	6.9
293.21133	25.2
302.73260	3.7
711.43518	19.1
736.41980	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	711.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02445	1.2
56.14305	1.3
57.03453	100.0
59.01381	62.9
63.68955	1.1
81.03474	1.9
99.04516	99.4
100.85420	1.4
101.02448	17.8
117.27676	1.3
118.17414	1.3
125.02446	48.2
126.69382	1.5
131.23756	1.3
143.03499	6.9
161.04608	2.0
174.54965	1.5
221.88080	1.4
235.16988	16.9
275.20215	40.8
291.18161	17.9
293.21274	26.5
333.18982	2.2
405.21027	1.6
410.50150	1.8
410.84116	1.6
567.39453	2.6
609.40247	7.3
711.23169	24.2
711.43280	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	711.4338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00342	1.0
57.03452	100.0
59.01382	56.3
61.24080	0.9
71.01398	1.9
83.77154	1.3
85.02901	1.1
88.81912	1.1
91.48299	1.2
95.01410	1.2
99.04514	90.5
99.79749	1.3
101.02444	21.5
101.03094	1.8
113.02430	1.7
116.92848	1.9
125.02441	46.5
143.03516	2.6
171.10312	1.3
178.52415	1.3
195.13945	8.7
223.13449	1.5
273.17059	2.2
275.20099	12.5
275.39142	1.4
277.21655	1.6
291.18134	42.8
293.21280	53.3
333.19162	8.5
479.21109	1.5
497.35727	1.3
549.37823	1.3
567.38940	9.9
609.40009	4.6
679.23389	1.4
711.43268	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	712.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36916	0.4
54.95858	0.4
55.10604	0.4
55.21391	0.4
57.03453	0.9
59.01384	13.4
59.02735	0.4
60.01726	0.7
60.10325	0.5
61.98833	100.0
71.01378	4.8
71.19421	0.4
71.39673	0.4
72.01714	0.6
73.02955	0.7
79.79926	0.5
85.02946	2.1
89.02457	3.1
95.01360	0.6
99.99414	0.5
101.02448	2.9
102.02795	0.5
108.69309	0.5
109.80493	0.5
113.02452	3.1
134.59331	0.5
283.87158	0.5
315.50546	0.5
315.93198	0.6
490.36325	1.0
568.34283	2.2
651.41248	0.9
652.41101	17.7
712.38556	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	712.3928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07102	0.5
58.15173	0.5
58.62888	0.5
59.01379	4.6
61.98835	100.0
64.86246	0.6
71.01347	0.6
76.97729	0.5
89.02455	0.8
101.56703	0.7
112.17551	0.7
118.00165	0.6
179.53951	0.6
232.22052	0.6
236.46317	0.7
482.86551	0.7
652.40613	3.6
670.85327	0.7
712.39728	5.4
732.37115	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85092	1.2
57.03234	1.5
57.03456	24.6
58.08777	1.3
59.01377	3.2
75.06049	1.1
75.06484	1.2
80.61802	1.4
81.87438	1.4
93.81880	1.6
97.02962	2.8
99.04511	23.7
99.31784	1.4
101.02448	6.2
125.02443	53.2
134.03735	3.5
149.06076	9.1
178.02701	16.8
179.59943	1.5
193.05072	100.0
200.91933	1.3
281.06693	29.3
295.36517	1.7
305.09027	1.7
329.08832	3.0
431.12033	50.8
436.62119	1.9
506.60507	1.6
539.36182	1.6
596.54181	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	713.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.0
58.33798	1.1
59.01106	1.8
59.01383	37.2
60.01706	1.8
62.73692	1.2
65.94247	1.4
69.03461	1.4
69.87810	1.3
71.01373	25.3
72.99286	1.4
73.02946	1.4
75.00867	7.9
76.10809	1.6
83.01401	1.8
85.02941	7.3
85.58117	1.3
87.00845	5.9
89.02440	15.4
90.02760	1.4
96.64189	1.4
99.00880	12.0
100.79816	1.5
101.02463	10.1
113.02415	7.9
119.03486	6.8
119.05012	26.8
129.01949	15.2
131.03503	1.5
145.02917	11.0
147.51598	1.5
154.82771	1.3
161.06012	1.7
163.04002	57.1
165.12859	6.6
177.04100	16.8
183.13885	12.3
195.05110	22.3
205.05011	5.5
221.15433	2.4
227.12746	1.8
251.12915	2.8
265.14249	2.0
293.13849	2.2
352.48450	1.3
535.21960	7.9
652.41833	2.0
653.41779	42.4
695.25458	1.9
713.26593	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	713.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79319	0.6
57.03439	1.8
59.01373	9.3
61.98819	1.9
69.03435	1.5
71.01369	13.3
73.02929	1.0
75.00861	7.9
83.01416	0.8
85.02934	3.9
87.00863	3.7
89.02428	3.4
97.02942	1.1
99.00892	10.1
99.27390	0.8
101.02444	1.9
111.00832	1.2
113.02443	1.6
119.05003	27.2
129.01929	15.9
131.03470	1.1
133.06607	1.1
135.03000	0.8
145.02951	10.5
159.02917	1.0
161.06056	9.9
163.04010	47.4
165.12802	5.3
177.04045	15.2
183.13921	10.7
195.05121	10.8
205.05019	6.8
207.13930	1.2
221.74356	1.0
227.12854	4.5
251.12920	4.0
265.14417	1.4
293.14017	3.4
367.72681	0.9
535.21716	1.2
653.42230	3.4
695.25531	1.9
713.26660	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20211	2.2
57.55732	2.3
59.01388	4.3
114.00143	2.4
116.92849	10.7
173.01503	2.9
177.31355	2.3
192.62128	2.6
199.61798	2.7
215.02240	2.6
269.66132	2.5
475.17688	4.6
489.15335	8.6
503.17355	20.9
504.18091	18.1
563.18616	5.3
589.20056	4.4
590.21344	4.7
591.22498	51.7
649.23254	13.4
650.23346	13.9
681.25751	83.2
713.28107	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	713.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	48.1
59.01384	49.7
60.30458	0.6
69.35368	0.7
71.01379	7.1
73.02942	3.5
83.32594	0.7
85.02950	4.3
89.02453	1.1
91.52803	0.6
91.56064	0.6
99.00914	0.7
99.04518	42.1
101.02431	20.1
113.02442	7.6
116.22896	0.6
124.01743	0.6
125.02439	11.2
143.03511	1.4
159.03004	1.1
161.04539	11.8
181.51994	0.6
187.76495	0.6
205.76810	0.8
235.11880	29.5
247.11899	3.8
277.10284	0.7
277.12869	6.0
289.12943	3.9
307.29288	0.7
317.16010	1.3
379.16144	100.0
448.60672	0.8
559.91876	0.7
713.24670	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	713.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97517	0.5
64.92071	0.5
66.87502	0.4
73.02928	1.0
75.00889	0.7
81.03461	0.9
87.00858	0.6
99.00882	2.0
99.04517	1.2
109.00819	0.6
119.05013	29.8
133.64687	0.5
135.38676	0.5
143.03490	2.3
161.04593	0.8
163.04008	100.0
179.05606	9.8
203.44673	0.6
325.09317	52.4
386.56931	0.6
431.52307	0.6
569.69348	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59821	0.6
55.43377	0.6
59.01382	38.5
68.10470	0.7
68.23914	0.7
69.92296	0.7
71.01382	11.3
71.53209	0.7
73.02938	12.1
81.07084	1.7
83.01392	3.7
85.02939	4.6
85.06591	1.6
89.02428	7.0
94.63519	0.8
99.00865	1.3
101.02443	14.5
113.02459	9.0
119.03506	1.2
141.85315	0.7
144.26610	0.8
161.04530	1.0
198.80119	0.9
199.88579	0.9
281.15439	6.5
361.21912	1.2
365.21115	3.5
417.24329	2.8
447.28937	4.2
449.30942	0.9
465.30219	1.3
481.25549	0.8
587.25482	0.9
591.34021	1.7
594.32043	1.1
597.30914	1.2
609.34387	17.0
612.33093	1.7
627.35577	3.4
651.35406	1.4
654.34027	0.9
669.36511	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	29.5
60.96044	1.2
62.48090	1.0
71.01378	12.2
72.19256	1.4
73.02930	10.8
80.34708	1.1
81.07086	2.3
83.01409	1.6
85.02947	6.7
87.26267	1.3
89.02440	6.1
95.01390	1.4
98.44916	1.6
101.02440	17.6
113.02428	7.2
117.33119	1.3
119.03508	2.5
131.03471	1.5
169.12834	1.7
193.05099	2.4
253.89386	1.4
281.15646	2.6
365.21158	5.1
417.24033	2.6
447.29062	2.7
449.87085	1.5
465.30026	1.7
591.33215	2.0
594.31830	2.0
609.34491	13.4
612.32916	2.0
627.35565	5.1
658.27789	1.4
669.36603	100.0
713.40948	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	713.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43150	1.3
56.48896	1.5
59.01378	20.2
71.01379	19.2
73.02943	7.3
75.07607	1.6
83.01393	1.9
85.02945	6.5
87.00864	15.2
89.02436	27.4
97.02933	2.7
101.02442	35.8
109.01517	1.6
113.02422	16.8
117.42909	1.7
119.03492	2.0
120.25597	1.6
125.02411	8.6
134.73218	1.9
143.03528	2.9
161.04485	2.7
178.60812	1.7
179.05539	2.2
211.57185	1.7
235.08224	7.6
253.09447	2.7
255.23309	100.0
269.24817	4.0
305.08786	1.9
397.13528	78.5
415.14600	30.3
465.97968	1.9
481.22421	2.0
653.37677	46.1
713.35181	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	713.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	22.2
59.69425	1.6
65.49189	1.6
71.01375	16.8
73.02929	3.7
76.45358	1.6
81.72778	2.1
85.02936	3.2
86.76065	2.4
87.00875	13.3
88.29439	1.8
89.02444	26.1
99.76205	2.0
101.02450	30.5
113.02455	17.2
119.03486	8.4
125.02438	11.3
159.06575	2.3
161.04584	4.2
194.90854	1.9
221.06642	2.7
235.08376	3.4
253.09302	4.5
255.23311	100.0
269.25061	3.4
279.23212	3.1
397.13501	77.4
415.14587	31.0
528.14575	2.3
541.19281	2.2
575.39209	2.1
649.25323	2.5
653.37451	39.0
675.21960	22.1
677.21899	3.9
713.35480	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	713.3976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92417	0.6
59.01096	1.6
59.01381	28.0
71.01377	18.5
73.02938	5.0
73.62052	0.9
81.03446	0.8
83.01385	3.4
85.02941	1.8
87.00861	5.8
89.02436	28.5
89.02957	1.4
95.01374	1.0
97.02950	5.2
101.02434	21.9
107.44665	0.8
113.02439	12.3
119.03500	6.5
125.02441	7.9
133.05089	1.4
143.03513	4.6
161.04590	3.4
177.65150	0.9
179.05602	1.2
221.06487	1.1
235.08316	8.0
255.23312	100.0
288.59134	1.0
305.08759	1.0
390.31839	1.0
397.13544	74.4
415.14624	19.8
473.50922	0.8
653.37701	47.0
681.26239	1.4
719.12079	1.0
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
59.01101	1.5
59.01382	28.3
59.41567	0.9
61.31145	0.8
71.01376	24.5
71.15035	0.8
73.02937	2.3
83.56939	0.9
85.02960	5.4
87.00874	5.2
89.02438	29.6
92.23007	2.0
92.73639	0.9
94.41631	0.9
97.02950	4.8
97.03693	0.9
99.00906	1.1
99.30457	0.9
101.02438	24.7
108.50766	0.9
113.02451	11.9
118.39567	1.1
119.03484	6.1
125.02464	9.1
125.70730	1.0
133.05145	1.3
143.03510	2.0
161.04579	4.5
167.57045	1.1
179.05644	1.9
189.89105	1.0
221.06804	1.4
225.85414	1.2
235.08267	6.9
255.23320	100.0
268.70190	1.0
287.61481	1.0
305.08780	1.7
337.16800	1.0
384.63214	1.1
397.13528	81.8
415.14731	19.4
653.37573	50.6
742.98041	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77531	0.5
58.98647	0.6
66.77522	0.6
75.85738	0.5
87.37408	0.5
110.80356	0.5
175.24904	0.6
294.64905	1.0
341.25311	0.6
387.31302	0.6
713.40442	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4488
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83737	0.6
57.14403	0.7
59.01383	100.0
71.01372	7.6
71.77120	0.7
73.02940	3.1
85.02945	4.6
101.02455	7.9
113.02454	4.0
144.91229	0.7
161.04550	1.1
360.90948	0.8
491.37274	7.5
653.42804	68.2
666.14447	1.0
705.89362	0.9
713.44940	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	713.4488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03039	0.3
57.03457	0.4
57.93364	0.3
59.01382	100.0
61.60879	0.3
61.98847	0.6
71.01377	8.2
73.02958	4.1
83.01402	0.9
85.02955	4.1
87.04550	0.4
99.00862	1.9
101.02439	7.0
113.02440	4.9
119.05035	1.7
129.01923	0.6
161.04538	2.5
163.04033	1.9
165.12817	0.5
169.57870	0.4
373.99173	0.4
415.31940	1.5
440.05823	0.5
489.35947	0.9
491.37350	4.3
624.35089	0.4
653.42798	41.1
713.26434	4.5
713.44934	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	713.4492
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
66.37275	0.8
71.01364	6.3
73.02940	1.4
75.96722	0.7
82.39096	0.8
85.02934	4.4
94.92822	0.8
101.02445	7.7
106.92784	0.8
110.07265	0.9
113.02435	4.7
160.81615	0.8
161.04553	1.3
415.31946	1.1
452.85559	1.0
491.37503	5.5
539.99005	1.0
546.17181	1.1
653.42731	51.4
713.44849	29.0
741.55688	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58569	1.9
59.01105	4.1
59.01384	100.0
69.48434	2.2
71.01382	11.0
73.10046	2.7
73.37067	2.2
85.02936	3.5
92.23180	3.3
101.02448	9.9
113.02444	3.1
173.72499	2.6
193.05014	3.5
271.82788	2.8
355.66309	2.7
491.37289	4.3
653.42914	54.4
713.44971	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	713.4744
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52401	0.5
53.87264	0.6
57.24001	0.5
73.93022	0.6
78.04366	0.7
92.22469	0.9
136.94905	0.6
146.48782	0.7
171.51384	0.6
186.02875	0.8
197.79318	0.6
256.34314	0.7
263.07837	0.6
281.90457	0.7
463.24973	0.8
713.47424	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.6
61.98831	100.0
71.01384	0.4
84.54337	0.3
86.71156	0.3
92.22578	0.3
99.17653	0.3
143.24292	0.3
195.30499	0.3
216.25781	0.2
487.02600	0.3
614.17877	0.3
654.42352	0.3
714.39502	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	714.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85687	0.3
59.01384	10.2
60.01727	0.7
61.98833	100.0
71.01392	1.3
101.02479	0.9
114.95152	0.4
185.25993	0.3
189.26620	0.4
492.37323	0.7
653.43262	0.4
654.42407	7.0
714.44550	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	714.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67717	0.6
51.31657	0.6
53.48665	0.6
59.01377	7.9
61.98833	100.0
63.42470	0.7
71.01369	4.5
73.25307	0.6
75.00869	1.2
86.67030	0.7
89.02424	4.1
92.22507	1.7
96.64450	0.8
99.00871	1.5
100.59578	0.7
101.02450	1.1
105.73731	0.7
112.00581	0.8
113.02437	1.4
119.03478	0.9
119.05005	1.8
120.05367	0.9
129.01945	0.9
132.06981	0.7
141.34192	0.8
163.03975	3.2
177.04007	0.9
195.05051	1.1
230.86177	0.8
392.87241	0.8
479.02097	0.8
494.39374	0.9
612.19519	0.9
652.40991	1.0
653.41876	0.9
654.42291	10.9
714.26990	12.9
714.40558	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	714.4081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.1
61.98832	100.0
65.62107	0.3
73.10458	0.2
89.02433	0.4
92.23041	0.3
108.95583	0.3
119.10441	0.3
146.72893	0.3
159.26746	0.3
171.03282	0.3
216.07143	0.3
478.82309	0.3
529.97028	0.3
654.42242	1.1
714.40961	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	715.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98832	1.6
55.67532	1.5
57.03446	2.0
58.99250	1.5
59.01381	96.8
71.01375	38.6
73.02941	40.2
82.40044	1.8
83.01382	9.1
85.02945	12.7
89.02440	21.3
90.12462	1.9
92.23106	4.0
94.21211	1.8
95.01343	2.5
99.04525	2.9
101.02419	40.9
106.01984	1.9
113.02435	29.0
115.10919	1.8
119.03472	7.5
123.32259	1.9
143.03493	2.2
149.23259	1.9
161.04570	10.1
221.06721	2.9
449.30612	16.4
467.31528	3.1
609.72784	2.2
611.35974	44.1
629.37054	26.7
671.38049	100.0
718.10944	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	715.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34928	1.1
59.01383	100.0
62.27589	1.3
71.01366	8.4
73.02937	9.7
84.23611	1.0
85.02988	1.3
89.02457	2.2
101.02440	7.0
109.60250	1.0
113.02451	6.7
113.29935	1.1
131.71628	1.2
139.11273	1.4
161.04585	1.6
171.10297	12.1
211.13390	5.9
229.14500	2.2
304.89603	1.3
311.22464	1.4
329.23315	33.1
482.85287	1.3
548.55737	1.4
595.36536	6.8
613.37585	5.2
622.00183	1.4
623.45239	1.8
641.46704	1.7
648.44409	1.2
655.38641	22.3
715.39899	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	715.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54893	0.5
51.10621	0.4
57.03449	0.5
59.01391	4.8
59.58781	0.5
65.75098	0.4
71.01373	3.4
72.99310	1.2
75.00848	5.0
84.58925	0.6
85.02946	6.5
85.61816	0.5
87.00871	2.1
89.02436	0.6
92.23158	0.6
95.01363	2.3
97.13719	0.6
99.00865	3.8
99.31885	0.5
113.02449	5.2
115.00317	0.8
117.01947	0.8
123.43178	0.6
142.05057	0.5
153.79675	0.5
165.12883	5.7
169.46643	0.6
173.30569	0.5
175.02487	0.6
177.24469	0.5
183.13913	33.6
227.12881	0.7
249.06161	0.9
255.23322	54.0
255.94719	0.6
483.22552	0.6
653.43732	0.7
715.42853	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.4645
Annotation	Unknow
Peak:m/z	Relative Intensity
59.83838	1.9
61.98804	2.6
71.01380	2.4
81.44562	2.2
82.33537	2.3
101.02409	2.6
105.53146	1.9
115.47818	2.0
119.21408	2.2
144.93742	2.2
163.26137	2.3
165.12810	8.5
167.17192	2.3
183.13899	49.0
232.63068	2.4
256.69861	2.3
269.24893	100.0
269.27792	3.4
308.05807	2.9
311.14572	2.4
715.46429	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	716.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53988	3.4
57.99085	3.9
59.01380	41.0
65.43768	3.4
86.50829	3.7
87.31751	3.7
89.34280	3.8
91.74767	3.9
100.96842	3.9
120.30447	5.1
131.93147	4.2
243.85507	5.1
255.27388	4.9
383.97345	6.5
495.15375	26.9
496.16309	30.6
510.17953	9.2
597.22406	22.1
598.23566	6.0
656.23743	20.8
716.25641	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	716.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07726	0.7
59.01105	1.5
59.01385	37.3
59.54060	0.6
60.29477	0.6
62.76705	0.7
104.15158	0.8
116.74985	0.7
118.27580	0.7
278.44864	0.8
293.57483	0.8
495.15570	31.1
496.16364	41.0
497.17197	10.9
503.47330	0.9
509.17212	5.3
510.17856	23.6
511.18115	1.2
523.18243	1.0
529.16302	3.3
550.17786	1.2
554.16833	4.4
555.17273	4.4
565.19727	1.1
566.20563	3.2
570.19958	5.0
582.19904	3.9
587.16766	1.3
596.21240	1.7
597.22437	16.3
598.23065	11.5
624.21179	0.9
656.23560	18.8
666.21265	1.0
716.25812	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95399	0.3
59.01391	4.5
61.98835	100.0
67.06371	0.4
71.01387	1.6
81.94393	0.3
89.02455	2.1
101.02453	1.5
113.02460	0.4
133.64226	0.3
145.01071	0.4
174.05212	0.4
223.07120	0.3
227.99460	0.4
255.23366	2.6
256.23584	3.4
257.23984	2.2
397.13766	0.5
398.14005	0.8
399.14307	2.5
400.14340	1.4
510.18073	0.4
530.19281	0.5
656.38483	3.3
716.26398	3.0
716.36609	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24249	0.9
59.01381	5.3
60.77180	1.1
71.01385	1.8
73.02934	1.3
85.54152	1.1
85.82289	1.2
87.11350	1.2
93.03456	20.1
113.02465	1.9
123.24579	1.3
125.02444	17.8
130.49156	1.3
137.02446	100.0
139.00389	2.5
153.01932	15.1
154.02728	12.7
167.03439	1.8
168.04251	15.0
169.01427	95.4
169.05026	24.7
282.61624	1.2
299.07748	25.8
313.09183	1.4
373.07507	25.6
373.11969	16.2
417.10385	1.7
535.02667	1.3
618.95258	1.4
664.66937	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	717.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14491	0.8
53.69766	0.8
54.33183	0.9
55.58249	0.8
58.33635	0.8
59.01101	1.9
59.01383	41.1
61.98835	0.9
68.05094	1.0
81.46617	1.0
88.99799	1.2
104.34795	1.0
162.02829	1.2
166.15918	1.0
206.63367	1.3
215.85197	1.2
457.18750	1.5
480.14590	1.3
496.14099	17.7
497.14706	5.0
498.15591	1.9
510.15543	6.5
511.16116	7.8
512.16956	1.8
513.17645	2.2
523.15894	1.7
539.17963	1.2
544.16534	1.7
583.18359	1.4
597.20013	1.4
598.21216	2.1
599.21484	10.4
644.66107	1.4
657.22137	2.0
717.24274	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.9
60.20693	0.4
64.13380	0.4
75.83114	0.3
101.37000	0.4
223.02144	0.5
467.20779	1.9
480.18057	0.9
481.18787	2.4
494.19986	0.8
495.20587	2.2
509.18631	0.6
511.16101	0.7
512.16992	11.0
521.18250	2.9
522.19202	2.6
523.19519	0.8
528.19971	0.6
529.21198	0.8
534.15546	3.6
535.16327	10.1
536.17108	4.0
537.21191	1.6
538.18762	0.9
539.19366	3.2
549.17877	100.0
550.18561	1.8
551.19604	4.1
581.20508	8.6
595.64355	0.5
598.20630	1.9
599.21680	0.6
610.16473	1.1
625.19427	2.2
642.19843	7.0
657.22095	14.3
675.23193	11.1
717.24579	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	717.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22093	0.6
52.56146	0.6
52.88617	0.7
57.97543	0.6
59.01382	39.1
60.96461	0.6
70.18974	0.7
94.94105	0.8
100.93297	0.6
114.01360	0.8
151.71692	0.8
254.02167	0.7
467.20868	3.4
480.18253	1.0
481.18973	5.0
507.20377	1.4
511.16135	5.0
512.17120	29.3
512.24677	1.2
521.18408	2.7
522.18976	1.2
523.20129	1.1
534.16119	0.9
535.16400	3.4
536.17181	0.9
536.94989	0.9
537.21326	0.9
539.19452	1.0
540.20886	0.7
549.17902	24.2
584.19165	14.1
599.21667	4.0
642.19226	1.0
657.22192	1.4
717.24237	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	717.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	35.7
67.04443	0.4
72.61134	0.4
101.98930	0.4
111.22186	0.5
122.31721	0.4
138.81061	0.4
179.59186	0.4
190.78447	0.5
225.27565	0.4
235.56523	0.5
235.58881	0.5
288.24420	0.5
318.36099	0.5
457.19037	2.1
459.16534	0.7
480.14618	1.6
481.15274	0.7
495.16660	2.7
496.06836	0.8
496.13983	19.2
497.14615	8.5
498.15677	2.9
510.15546	7.1
511.16293	10.1
512.17316	6.2
513.17755	3.5
514.35339	0.5
522.01733	0.5
523.16168	0.8
537.14209	0.7
538.14911	1.7
539.19043	2.0
544.16016	3.1
551.15802	0.8
553.17651	1.6
567.19263	0.9
570.18005	0.6
571.18872	1.0
582.17670	1.7
583.18518	0.8
597.20117	4.7
598.20892	5.6
599.21582	11.3
625.19604	0.7
657.21832	4.6
717.24280	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.8
63.85975	0.7
64.30995	0.7
67.41955	0.6
86.21536	0.7
89.38852	0.7
121.02928	1.3
122.01218	0.8
122.03745	1.4
123.04530	1.4
133.02962	8.8
134.03697	2.7
135.04492	1.0
147.04535	7.4
148.05280	2.7
149.02419	7.1
149.06067	9.4
150.03217	38.7
151.03972	1.2
159.04492	0.9
160.05241	7.2
161.06047	3.2
163.04007	3.4
164.04768	11.8
165.05556	67.2
173.06062	1.2
174.06871	1.7
175.07631	18.7
176.04794	9.3
177.05583	12.1
178.06358	18.4
180.04236	5.4
191.07172	3.0
192.07947	18.8
193.08717	4.7
195.06642	12.0
223.42197	0.7
270.08939	4.8
284.10645	1.7
285.11334	3.0
296.10654	0.9
297.11435	3.0
315.12369	4.4
329.13980	36.7
359.14792	0.8
432.16049	6.8
444.15817	1.6
447.18216	19.2
459.18118	8.6
462.16827	1.7
473.15515	1.4
477.19199	85.1
507.20291	5.6
525.21344	69.0
555.22406	100.0
687.26709	6.9
717.26727	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	717.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08617	1.3
59.01376	8.9
71.01389	3.5
82.05759	1.9
85.02950	2.4
85.11274	1.9
89.02436	1.7
96.95982	1.6
101.02421	3.1
102.16947	1.7
111.34331	1.8
122.03744	2.4
129.02826	1.9
133.02885	1.6
149.02452	3.8
150.03198	37.7
160.05338	3.4
164.04845	3.7
165.05556	100.0
175.04047	3.8
175.07573	12.3
176.04816	1.9
177.05588	2.3
178.06300	4.0
180.04228	3.8
192.07913	3.7
193.05122	2.2
195.06668	18.8
202.70886	1.7
215.73355	1.7
304.23615	1.7
321.57449	1.8
329.14075	16.9
338.81381	2.0
447.17877	3.2
477.19342	14.3
525.21436	38.1
555.22430	35.2
679.26672	2.0
687.26385	8.0
717.35785	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	717.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97559	0.5
59.01381	80.5
61.76310	0.5
103.25480	0.6
116.92814	0.6
270.55753	0.6
275.51584	0.7
339.65085	0.8
349.68573	0.7
450.69711	0.6
482.16367	1.1
514.14362	0.8
525.17810	3.4
539.19501	4.0
583.21954	2.5
584.23071	3.4
616.21661	1.1
657.25781	3.8
717.27875	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62162	1.8
59.01103	2.9
59.01382	73.2
65.39252	1.8
78.61423	1.7
105.62614	1.8
111.04115	2.0
127.39474	1.6
162.08450	1.8
246.33925	2.6
331.36282	2.0
525.18073	2.5
717.27948	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
59.16595	0.7
59.83526	0.7
71.01383	28.6
73.02941	31.9
81.97486	0.8
83.01395	4.1
85.02938	9.1
87.00876	1.7
89.02446	20.1
92.22479	1.0
93.58896	0.9
95.01366	3.6
101.02440	30.0
104.41689	0.8
113.02444	30.5
119.03453	6.2
125.02412	0.9
131.03499	3.2
143.03502	1.2
149.04613	1.5
161.04539	11.3
177.54219	0.8
177.95187	1.0
179.05582	1.1
199.65854	0.9
221.06677	4.7
286.06274	1.0
613.37628	30.0
631.38702	22.9
673.39648	64.8
733.12109	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01103	4.5
59.01383	100.0
59.12640	1.8
61.86545	1.8
65.21097	1.9
71.01374	24.7
73.02934	24.4
77.83337	2.4
83.01406	3.7
85.02947	3.7
89.02425	16.4
101.02445	27.6
101.68108	2.2
109.63074	2.1
113.02437	14.8
119.03474	2.4
133.51759	2.5
143.03458	3.1
149.04665	2.4
161.04582	4.3
292.78897	2.3
405.68213	2.7
582.90033	2.6
613.37433	34.3
631.38702	22.9
673.39496	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	717.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14772	1.9
53.91881	2.0
59.01384	100.0
71.00259	2.2
71.01393	20.5
73.02945	12.0
74.78587	2.7
81.47079	2.5
89.02430	14.1
92.22514	3.0
101.02442	13.7
113.02439	13.4
119.03459	4.7
119.79904	2.8
161.04564	5.1
163.20204	2.7
168.84764	3.1
296.01828	2.5
305.42715	2.4
399.37296	3.2
491.16971	2.5
613.37750	3.2
631.38110	3.3
673.39862	25.2
675.41309	4.2
717.28192	4.2
717.42371	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	717.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
62.78262	2.6
71.01380	15.5
73.02941	6.3
89.02430	14.5
92.22566	3.4
101.02438	12.0
113.02425	14.3
119.03532	4.1
146.43088	3.2
149.47017	3.3
171.10237	6.7
173.68922	3.0
613.37689	25.7
631.38934	30.7
673.39569	63.4
730.23804	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	717.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22569	0.5
50.85998	0.5
51.41705	0.5
52.42712	0.5
57.03448	0.6
59.01380	100.0
63.40379	0.5
63.57886	0.5
70.76616	0.6
70.80559	0.6
71.01378	22.4
72.26114	0.6
73.02546	1.3
73.02940	23.9
78.89842	0.6
80.06729	0.6
83.01389	3.7
85.02940	7.8
87.00874	0.9
89.02438	14.9
95.01368	2.8
101.02438	22.1
113.02445	23.2
118.31696	0.6
119.03516	5.0
131.03516	1.3
140.16888	0.6
143.03479	2.8
149.04550	3.1
161.04572	10.3
179.05548	4.3
209.11823	0.8
221.06682	3.0
447.67062	0.6
558.61981	0.7
639.70184	0.7
657.40228	17.6
663.18591	0.7
675.41235	17.9
717.42114	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	717.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
71.01375	10.7
73.02940	9.1
83.01390	2.0
85.02956	3.0
89.02448	8.5
99.56344	1.7
101.02440	8.7
113.02457	8.3
119.03488	2.4
124.21507	1.9
248.28078	1.8
388.25534	1.8
404.66711	2.2
424.82291	1.8
621.72882	2.0
657.40112	38.4
675.41260	16.3
683.13129	1.9
717.42804	21.2
743.68964	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	717.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
66.04887	0.6
71.01390	2.6
85.02954	1.1
89.02449	0.8
101.02428	1.0
107.86503	0.6
112.45135	0.7
113.02468	1.1
172.08359	0.6
209.12071	0.6
453.33722	0.9
490.73904	0.7
597.38031	18.7
615.39307	6.4
657.40179	32.0
689.38318	0.7
717.42383	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	718.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58629	2.4
59.01387	39.7
61.98836	3.3
65.56055	3.3
67.79980	2.6
71.01382	34.0
71.45988	2.6
73.02945	3.6
85.02917	4.2
87.00911	4.0
88.27545	2.6
89.02455	29.8
101.02435	25.0
113.02441	14.5
119.03499	6.4
124.16174	3.0
125.02482	5.4
126.03809	3.3
143.03476	3.1
152.66490	3.0
161.04576	4.1
204.67020	3.2
235.08253	4.7
277.21762	100.0
397.08282	3.7
397.13507	96.1
415.14685	34.4
613.31555	3.6
658.39673	4.1
675.36029	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	719.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79430	1.1
59.01376	2.1
62.18120	0.9
71.01379	2.5
74.59219	0.9
89.02428	8.5
113.02435	1.2
119.03489	4.6
130.69096	1.1
140.09930	0.9
143.03487	1.5
150.04189	1.6
161.04604	1.2
176.66193	1.1
179.05598	4.8
296.42099	1.2
341.10934	9.2
377.08588	100.0
590.82214	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.1
66.95126	0.9
71.01383	2.0
89.02422	10.2
101.02434	1.9
113.02444	1.5
119.03477	4.7
150.04184	2.1
155.83911	1.0
179.05588	6.8
223.15997	1.1
268.54492	1.3
299.96881	1.2
341.10684	12.8
374.45316	1.2
377.08606	100.0
658.54608	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	719.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17200	0.5
67.09494	0.5
76.27078	0.4
78.95922	0.7
99.04749	0.5
108.02164	24.6
109.02939	5.4
123.04452	0.7
131.32668	0.6
131.72202	0.5
151.03987	0.8
152.01147	50.2
153.01938	36.6
163.03915	0.8
165.01915	0.8
257.50119	0.7
273.77267	0.7
279.03708	0.6
285.06180	100.0
286.06561	2.3
409.87881	0.7
708.34448	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	10.1
61.16338	0.7
70.51286	0.8
71.01389	0.8
71.14170	0.8
71.50295	0.8
84.45594	0.9
87.00881	1.1
88.98798	3.1
101.02449	1.4
101.06094	2.9
113.02412	1.0
130.21945	0.8
165.01932	4.2
175.63965	0.8
255.02910	7.2
271.06299	1.3
283.02499	85.3
284.03296	3.1
297.17111	0.8
298.04843	100.0
299.05682	9.2
314.25836	0.9
453.34076	0.9
617.15118	14.8
635.16022	1.8
675.41345	6.2
677.21027	3.0
719.22046	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	719.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	20.0
87.93887	3.7
98.75040	3.6
130.86368	4.2
153.29153	3.7
196.34315	5.1
202.08353	3.9
215.92410	4.2
412.72873	4.9
455.17291	6.1
468.18094	15.1
473.18576	6.7
483.16779	17.7
494.19687	4.6
496.17993	52.7
497.18396	9.3
511.16040	29.8
512.13666	19.4
513.14240	34.4
524.16943	30.3
526.15076	21.3
527.15887	20.5
528.16528	40.8
538.18719	8.5
540.16260	8.7
541.17303	5.7
543.14685	4.2
556.16827	4.8
568.16107	16.8
583.18542	44.8
585.16357	40.9
599.17767	48.0
600.18945	48.4
614.20032	51.7
615.21436	29.0
617.20667	4.8
631.20856	5.0
632.17981	40.1
636.99921	4.9
639.23071	5.1
659.20361	27.6
719.22516	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	719.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09131	1.6
59.01385	24.5
62.92873	1.7
82.10162	2.3
85.11608	1.7
91.83781	1.8
159.99951	1.8
252.87730	2.2
257.95938	2.0
407.58911	2.5
441.19778	2.7
468.17978	3.4
483.16821	20.7
494.19617	8.7
495.16629	3.0
496.17789	23.0
497.18646	25.1
498.19882	2.7
511.15356	20.2
513.14276	49.4
513.21198	6.9
521.18384	5.0
524.17084	20.0
527.15643	17.2
528.16565	74.3
538.19043	11.6
540.16699	8.1
541.17377	10.7
543.15454	4.6
553.20685	8.4
556.19263	11.8
583.18225	12.7
584.15460	4.2
585.16321	45.0
588.18140	3.3
599.18042	9.6
600.18738	70.0
601.19336	13.7
615.21289	26.4
617.18231	2.7
631.20557	20.2
632.17896	38.9
659.19995	22.8
659.41467	2.4
719.22156	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.9
59.01381	12.9
62.28142	0.4
62.44641	0.4
66.65823	0.4
71.01382	0.6
71.81232	0.4
99.04527	4.0
101.02442	0.6
113.02466	0.6
125.02438	4.4
143.10794	3.6
165.01909	2.2
227.03462	0.7
255.03009	7.3
256.03763	0.6
271.06165	1.9
283.02484	80.4
284.03369	5.3
298.04840	100.0
299.05637	15.1
312.06265	0.5
371.03134	0.5
416.08047	0.5
575.05151	0.7
575.14069	16.4
659.41534	2.2
675.07446	0.9
675.40741	1.1
677.42896	0.8
719.25641	73.0
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
59.01378	0.9
63.44057	0.8
69.28562	0.7
69.34666	0.7
72.99332	2.7
73.02946	1.6
75.00861	10.4
81.03429	1.6
99.00866	7.6
99.04514	6.2
119.05015	35.2
143.03494	8.2
148.95015	0.9
161.04558	12.6
163.04008	93.0
179.05614	84.4
185.98929	0.8
186.15729	0.8
268.79736	1.0
289.54504	0.9
303.68365	0.8
325.09311	100.0
428.26074	0.9
469.24167	0.9
472.42917	0.9
500.50681	0.9
621.90088	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12349	0.9
59.01380	96.5
65.23936	0.9
67.37698	1.1
71.01376	24.3
72.48351	1.0
73.02948	8.7
75.00858	2.6
83.01395	1.7
83.33364	1.0
85.02941	11.3
87.00896	1.6
87.97113	1.1
89.02453	6.7
95.01377	1.3
99.00880	4.8
101.01785	1.1
101.02439	30.3
101.06080	24.9
113.02456	23.9
137.05661	1.1
141.20847	1.3
159.02995	6.2
161.04556	29.7
235.11925	4.6
240.48506	1.1
247.11913	1.7
265.12939	43.9
271.10684	1.2
277.12994	4.4
307.14008	100.0
351.12985	37.3
351.16751	3.4
367.16083	7.0
397.17392	1.4
451.11472	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	85.2
59.01382	100.0
60.04527	2.1
63.43683	1.8
71.01362	4.8
79.31209	2.1
80.96378	2.4
84.14899	2.2
89.02432	3.5
95.51836	2.0
96.95998	2.3
99.04512	89.2
101.02438	17.0
103.87141	2.1
113.02406	3.4
115.89066	2.3
125.02457	46.0
143.03444	3.3
176.10712	2.6
247.97942	2.7
283.02554	19.4
298.04861	28.5
412.80829	2.8
471.33417	4.9
513.34363	5.0
531.35663	13.7
572.28583	2.6
573.36359	16.2
675.39642	55.7
719.22485	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	719.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	73.0
59.01384	100.0
59.38437	1.2
71.01382	2.7
73.02934	2.1
78.97056	1.5
81.03459	1.6
85.02905	1.4
92.22453	1.5
97.22854	1.6
99.04517	76.3
99.05165	2.5
101.02448	16.6
101.69987	1.5
113.02421	3.2
125.02440	43.7
134.03693	1.3
143.03496	5.6
153.33067	1.4
165.39961	1.4
168.00687	1.3
221.61078	1.5
256.07925	1.5
316.71783	1.6
453.32324	5.4
471.33478	10.3
489.34097	2.0
513.34583	10.6
531.35486	21.4
573.36548	15.5
615.38989	6.1
631.40845	1.7
675.39923	51.3
719.38715	5.7
734.82684	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	719.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19722	1.4
57.03450	80.1
59.01382	100.0
68.51307	1.5
71.01382	8.5
71.45973	1.5
73.02945	8.2
85.02952	2.0
89.02438	8.9
99.04515	96.1
99.05163	3.1
101.02438	22.2
102.15729	1.5
103.04041	2.0
104.21175	1.4
113.02473	3.3
119.82990	1.5
124.41325	1.6
125.02428	43.4
127.04065	1.5
143.03516	2.5
154.36017	1.9
161.04584	2.4
164.92496	1.5
173.30176	1.5
250.13405	1.8
471.33328	3.6
513.34204	2.8
531.35291	25.8
563.22833	1.9
573.36334	10.8
631.41425	2.2
675.39764	37.3
677.43170	14.8
719.24713	3.1
719.44824	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	719.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	30.2
59.01382	100.0
64.38564	1.5
69.82932	1.3
71.01375	6.8
73.02949	2.4
83.01364	1.8
85.02950	1.8
85.64212	1.4
92.23190	2.7
99.04521	31.4
99.49465	1.5
101.02427	10.4
110.84996	1.4
113.02406	2.4
125.02454	15.6
143.03490	1.7
147.26607	1.4
151.57626	1.4
165.25092	1.4
215.22079	1.4
263.95547	1.4
343.38132	1.6
358.25778	1.5
427.35565	3.4
471.33154	2.1
531.35400	9.2
573.36194	2.4
615.38879	2.3
633.40100	5.9
675.40601	37.4
719.43280	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	719.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35240	1.4
59.01383	100.0
71.01369	17.1
71.75127	1.5
73.02940	9.8
85.02936	3.0
87.00868	51.7
89.02431	2.7
99.00874	1.5
101.02445	13.6
113.02433	8.9
161.04559	2.3
179.15762	1.6
245.01109	1.5
283.02576	2.4
298.04886	2.5
298.20355	1.7
318.12357	2.1
374.96103	1.8
428.24472	1.8
444.17212	1.8
502.27731	2.0
615.38330	3.0
633.40155	9.3
665.13287	2.2
675.41260	43.8
719.22711	2.9
719.39905	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	719.403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02346	1.4
57.03454	1.9
59.01381	100.0
63.76425	1.5
71.01368	9.6
71.05009	3.5
71.54859	1.5
73.02908	5.8
75.44689	1.5
85.02937	3.5
88.14562	1.4
89.02412	2.7
99.04524	2.5
101.02446	15.4
108.05030	1.6
113.02431	8.1
113.06065	2.1
115.27941	1.7
125.02431	2.4
125.09596	1.9
161.04510	2.4
183.82219	2.1
204.46028	1.8
280.61264	1.9
344.65369	1.6
375.52036	1.9
380.53751	1.8
479.85822	1.9
517.31647	7.3
597.38232	2.3
615.38983	36.4
633.40637	12.7
657.39581	2.1
675.41016	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	719.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57370	0.9
57.03451	1.2
59.01384	100.0
62.73458	0.7
64.38233	0.8
71.01380	21.6
73.02944	25.5
74.29246	0.9
77.11414	0.9
78.31039	0.8
78.50277	0.8
83.01404	3.8
83.04841	0.8
85.02943	7.0
89.02448	14.8
100.54389	0.9
101.02435	25.7
106.64737	1.0
111.42587	1.0
113.02457	21.4
119.03468	6.3
131.03506	1.5
131.29692	0.9
143.03500	1.5
149.04546	3.6
161.04568	10.7
179.05627	1.0
191.91176	1.0
219.91931	1.0
221.06654	4.0
615.39105	21.0
633.40186	20.7
675.41260	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	719.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37267	1.1
53.90537	1.1
56.68625	1.0
57.03443	2.2
59.01382	100.0
63.90907	1.3
71.01375	11.8
73.02934	7.0
83.01398	2.7
85.02940	8.1
88.53242	1.2
89.02428	3.1
92.22569	2.2
99.04504	1.8
101.02439	16.8
103.49137	1.3
113.02423	12.4
119.03481	1.7
125.02403	2.3
131.85060	1.4
156.12863	1.5
161.04616	1.9
441.33755	6.0
566.48645	1.6
615.39343	27.1
633.40125	9.1
675.29614	2.5
675.41168	64.9
695.65265	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	719.403
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69001	1.8
56.07771	2.0
57.03456	3.5
59.01381	100.0
66.93937	2.0
71.01378	13.8
73.02937	4.7
80.25555	1.8
85.02946	4.0
89.02425	2.5
92.23041	2.1
99.04540	5.0
101.02439	12.6
106.01962	2.1
111.38538	2.3
113.02470	5.1
125.02426	8.7
125.09660	5.1
149.83832	2.0
180.47235	2.1
186.11378	9.5
220.92613	2.0
223.92976	2.1
498.26392	2.4
615.38922	11.2
616.70062	2.5
633.40814	6.2
674.65930	3.0
675.40961	37.1
719.53937	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	719.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.8
59.01107	0.7
59.01382	17.8
70.61740	0.5
71.01374	11.5
73.02920	3.9
83.01382	3.2
85.02944	6.6
87.80457	0.5
89.02435	0.7
92.22517	0.7
99.00879	2.7
101.02437	11.9
113.02415	7.4
137.02620	0.5
143.03433	0.9
159.02968	0.8
161.04562	2.7
194.80234	0.5
202.51155	0.7
273.67151	0.7
349.65402	0.7
427.35852	27.1
471.34793	3.2
497.36197	0.8
511.38080	1.1
571.40253	5.2
575.25555	0.6
589.41302	2.8
615.38831	4.3
633.40063	9.3
675.41174	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30305	1.4
53.07397	1.5
57.03447	10.6
58.43958	1.3
59.01382	100.0
59.07508	1.4
59.11109	1.4
64.75167	1.7
71.01378	19.4
73.02946	19.2
80.23997	1.4
83.01400	2.2
84.81555	1.7
85.02914	6.1
89.02448	15.0
95.01362	2.4
99.04523	13.7
101.02428	18.8
113.02436	19.9
119.03505	3.7
125.02465	7.5
142.60600	1.7
160.31415	1.5
161.04517	7.1
165.70361	1.5
179.05640	2.7
241.72115	1.6
400.40057	2.0
433.04279	2.0
449.89099	1.7
468.41272	2.1
505.81485	1.8
531.16980	2.2
599.41327	2.0
604.01270	2.0
615.39038	23.1
633.40594	12.9
675.41119	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	719.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62620	2.2
59.01381	36.8
60.94147	2.2
62.12273	2.3
62.49454	2.5
116.63976	2.6
183.13821	2.8
255.23305	5.1
256.23718	5.7
257.24030	3.6
277.21686	37.5
376.52106	3.3
548.97949	3.1
683.45020	3.8
719.42120	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75108	0.5
56.68363	0.6
57.03472	0.5
59.01384	100.0
59.39885	0.5
71.01376	12.9
73.02949	3.8
75.00869	2.7
78.22959	0.6
83.01408	0.9
85.02959	6.5
89.02446	8.3
92.23097	1.2
95.01403	2.9
97.03039	0.6
99.00871	2.7
101.02444	9.0
109.30489	0.6
113.02449	11.0
115.92111	0.7
116.92865	1.3
119.03495	2.8
125.02431	0.8
143.03467	0.6
156.53825	0.7
161.04546	1.3
182.71783	0.6
185.55424	0.6
217.67557	0.7
228.56317	0.6
277.21707	0.8
278.68646	0.6
291.81750	0.7
318.87979	0.7
320.45804	0.6
322.98553	0.7
397.13507	0.9
398.13779	1.1
456.18491	0.9
468.18173	5.9
469.19052	1.0
473.18341	1.0
483.20428	4.0
496.17734	5.6
497.17212	0.8
500.17261	4.8
501.16708	1.0
510.15402	2.7
511.19696	3.6
512.13232	1.4
524.16724	0.9
526.15027	6.8
527.15637	2.8
528.16571	2.9
544.19714	1.2
583.18506	3.5
587.21582	1.1
599.17749	2.9
601.19531	2.4
615.21344	3.8
627.17413	2.3
659.20026	24.5
659.41748	46.5
664.79834	0.7
677.42853	23.9
719.22235	3.5
719.44043	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	719.438
Annotation	cumingianoside D
Peak:m/z	Relative Intensity
51.67486	0.8
59.01382	100.0
67.51820	0.8
67.86980	0.8
71.01376	19.9
73.02943	17.6
75.62478	0.7
83.01397	3.6
84.21118	0.9
85.02944	6.7
87.00896	0.8
89.02434	11.4
95.01383	1.2
97.02973	0.8
100.24232	0.7
101.02437	15.4
104.28535	0.8
113.02437	14.8
119.03497	4.9
123.03884	0.9
136.88803	0.9
143.03470	2.1
149.04634	1.1
155.03452	0.9
161.04543	6.5
179.05588	3.3
179.73846	0.8
381.73703	0.9
659.41541	11.7
677.42676	10.8
719.43958	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	720.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15375	0.7
52.04390	0.5
53.20476	0.5
54.62864	0.6
54.82337	0.6
59.01384	21.3
60.01711	0.8
61.98833	100.0
68.29424	0.6
96.63691	0.8
106.71131	0.7
114.04159	0.7
122.64996	0.7
157.66660	0.8
251.15804	0.8
357.60379	0.8
498.14899	4.3
499.14432	9.3
500.15198	3.6
512.16119	0.9
513.16138	4.3
514.16296	5.7
515.17676	1.8
547.16577	1.5
600.20807	3.7
601.21472	1.8
602.22430	5.5
660.22217	1.5
720.23816	81.7
723.88275	0.9
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
50.71490	1.1
58.38398	1.2
59.01384	28.0
61.98841	1.2
71.01389	19.7
73.02937	1.4
85.02954	3.1
87.00875	5.3
89.02438	26.0
91.29542	1.5
97.02944	1.8
101.02441	18.5
101.47746	1.2
113.02431	8.7
119.03476	3.2
125.02438	7.5
143.03471	1.8
161.04570	2.2
175.83206	1.4
179.05588	2.2
186.96715	1.6
198.27679	1.8
221.06723	2.3
235.08211	5.4
279.23309	100.0
397.13553	73.7
415.14484	17.9
499.96335	1.6
573.20282	1.7
677.37585	39.2
720.22803	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	720.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50901	1.1
54.63144	1.3
58.61667	1.2
59.01385	32.8
71.01377	11.1
82.14314	1.5
85.02898	2.0
89.02441	18.2
101.02445	11.1
113.02418	6.4
119.03490	9.0
125.27655	1.4
168.17107	2.0
179.05634	12.1
209.75928	1.5
600.40204	1.7
677.31171	3.3
677.42792	100.0
720.43146	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	720.5036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31809	0.4
64.32320	0.4
95.04935	0.6
112.07664	7.6
113.05988	1.8
129.10350	5.3
130.08714	10.5
132.18030	0.4
143.07108	0.5
156.52472	0.5
161.36861	0.5
207.15022	4.0
208.13390	1.8
224.17516	3.1
225.16075	26.2
242.18633	0.9
320.23346	1.9
337.26141	3.9
338.24564	5.6
433.31647	2.5
450.34497	3.1
451.32690	2.6
546.40228	0.5
563.42877	2.7
659.48828	9.3
677.49786	100.0
720.50446	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	721.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.9
60.14334	0.9
65.60117	0.9
103.19123	0.9
104.87648	1.0
109.48419	1.0
114.31944	0.9
123.98236	0.9
161.07130	1.1
165.02034	1.8
255.02994	5.1
269.04559	1.5
278.69229	1.0
283.02493	80.2
284.03485	3.5
298.04843	100.0
298.39313	1.1
299.05606	10.8
516.17322	1.4
617.15057	15.0
635.16174	7.6
677.17365	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	721.163
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62311	0.3
58.19078	0.3
59.01381	1.0
59.30182	0.3
63.39417	0.3
67.56750	0.3
77.83121	0.4
87.49100	0.4
101.02372	0.6
113.02400	0.4
130.87393	0.3
150.07500	0.3
165.01913	2.1
184.93979	0.4
240.50334	0.3
255.02969	7.4
256.03726	0.5
269.04611	0.8
271.06158	2.0
283.02493	81.6
284.03247	4.0
298.04846	100.0
299.05618	8.5
464.29156	0.4
617.15253	14.3
635.16327	6.6
677.17316	57.6
721.35809	0.5
743.42981	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29027	0.4
57.14017	0.4
68.73362	0.5
71.01376	0.7
72.99320	0.6
77.51035	0.5
81.70405	0.5
85.02941	6.7
87.00879	0.9
97.14542	0.5
99.00858	0.8
104.55961	0.5
108.64548	0.5
119.05012	38.5
129.01978	3.7
134.03719	0.5
146.40065	0.5
159.02988	1.0
163.04004	100.0
167.51453	0.5
168.32037	0.5
173.73763	0.5
180.33249	0.5
191.05609	6.8
193.05014	3.3
202.06900	0.5
209.06670	30.9
289.11823	0.8
323.12277	0.5
355.10364	52.3
484.02029	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94087	1.2
57.03428	1.4
59.01379	100.0
59.41618	1.1
64.95301	1.1
71.01016	1.6
71.01380	30.0
73.02930	16.9
83.01363	4.8
85.02939	9.0
89.02442	15.5
90.36047	1.2
95.01351	2.0
96.95977	1.3
99.00877	1.3
101.02428	24.2
113.02435	28.1
113.06023	1.6
119.03479	5.9
125.02404	2.1
127.07645	8.8
131.03474	1.6
143.03519	1.9
161.04530	6.5
171.06689	5.1
247.11806	5.6
289.13034	13.7
353.51514	1.4
406.56351	1.8
513.23267	14.9
531.24438	18.0
549.25366	2.4
573.25616	45.4
591.26733	25.8
633.27631	27.6
721.24561	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	721.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48582	1.1
59.01382	100.0
60.13745	1.0
69.09587	1.3
71.01378	32.7
73.02948	22.7
83.01371	4.4
85.02936	13.0
87.00864	2.7
89.02427	18.6
95.01382	5.0
97.02962	1.6
99.00851	1.5
101.02441	26.0
111.29062	1.2
113.02441	37.4
119.03487	8.2
119.15590	1.2
124.01606	1.6
125.02453	1.5
137.09685	1.8
143.03510	2.2
161.04532	6.0
180.10158	1.5
203.08388	1.7
207.13844	1.3
220.01898	1.1
245.09286	5.6
256.57657	1.4
268.78333	1.3
513.23553	22.3
531.24518	31.7
549.25397	2.6
573.25598	56.3
591.26648	41.5
633.27692	37.7
721.24701	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	721.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15048	0.7
57.03441	1.0
59.01381	5.8
71.01372	9.6
73.29244	0.8
73.62447	0.8
74.82021	0.8
75.00864	7.8
85.02942	4.2
87.00883	3.3
89.02470	1.8
96.95988	0.8
99.00886	14.7
119.04999	9.3
129.01942	18.0
131.03473	2.0
141.01959	1.3
145.02977	1.9
159.02951	1.9
161.06105	1.5
162.37836	0.9
163.04010	37.4
163.05330	1.8
171.06664	1.1
177.04039	15.7
195.05104	60.2
196.06213	1.1
205.04941	3.0
277.12964	1.1
341.08795	100.0
345.46030	0.9
722.78674	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11927	0.3
53.37117	0.3
57.03199	0.6
57.03452	12.2
59.01098	0.8
59.01379	12.1
59.11464	0.4
71.01375	3.5
73.02940	1.7
75.00864	8.6
81.03463	0.8
83.01349	0.4
83.03373	0.4
85.02936	0.6
87.00861	2.2
89.02451	0.9
98.91374	0.4
99.00866	2.9
99.04507	14.4
99.05151	0.5
101.02431	7.9
113.02414	2.3
119.03513	0.6
119.05014	11.2
125.02419	6.8
125.38606	0.4
129.86224	0.4
143.03526	8.1
159.02907	1.4
161.04549	13.5
163.04007	39.3
179.05609	100.0
195.05139	0.9
223.06171	0.4
251.11375	13.2
252.32948	0.4
261.08740	0.5
269.27176	0.4
293.12482	4.2
325.09320	34.6
333.15631	0.7
395.15594	52.6
605.63293	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65060	3.1
57.48573	2.7
59.01383	100.0
63.52794	2.7
63.88038	2.4
64.77001	3.2
71.01383	19.4
73.02939	5.9
84.59048	3.1
85.02954	7.2
87.25442	3.6
89.02408	3.2
99.00873	3.1
101.02435	10.7
113.02437	15.6
118.79041	2.7
144.26576	3.2
150.88560	3.0
161.04568	33.7
228.48140	3.2
279.03589	3.3
303.84946	3.1
341.78741	3.0
348.95816	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	721.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01467	0.5
59.01099	1.2
59.01379	24.1
64.52626	0.5
69.67532	0.5
71.01376	14.9
83.01429	0.9
85.02965	0.8
89.02442	24.3
89.02959	1.2
92.22686	3.2
95.24115	0.6
101.02437	17.3
101.56875	0.5
113.02441	9.0
119.03491	11.5
131.03554	0.7
139.07642	15.5
153.51205	0.6
157.08722	1.3
163.03960	1.0
172.51445	0.6
264.16522	0.6
299.15747	0.7
319.13992	100.0
384.29187	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70826	0.6
58.67590	0.6
83.16295	0.5
97.64231	0.6
131.39983	0.7
161.99512	0.9
165.01944	1.4
204.67572	0.7
225.55331	0.6
227.03441	3.4
228.04414	0.8
243.06735	0.8
255.03030	14.9
256.03864	4.4
283.02493	98.6
284.03278	33.7
298.04852	66.5
298.07413	1.0
298.08432	1.0
299.05618	67.2
354.53253	0.6
721.32385	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	721.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
66.60479	0.9
71.01378	19.2
73.02960	7.3
74.30946	0.9
83.01382	1.9
85.02949	7.1
89.02427	6.9
89.67372	0.9
95.01385	1.2
97.02951	1.1
99.00855	2.1
100.80122	0.8
101.02441	16.9
113.02440	15.2
114.48420	0.9
119.03511	1.8
120.49149	1.0
125.02422	1.2
127.07637	24.0
143.03438	1.1
153.09290	1.1
154.37711	1.0
155.06894	0.9
161.04553	9.8
171.06635	16.5
246.46820	1.0
247.11925	17.6
263.22903	0.9
289.12985	29.1
305.82144	1.0
318.36020	1.0
333.15457	4.0
513.23584	2.0
531.24463	5.0
549.25171	1.2
573.25519	8.5
591.26672	6.2
633.27374	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	721.366
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75068	1.4
54.10411	1.6
59.01101	3.3
59.01381	59.1
67.02432	1.6
67.77219	1.8
71.01377	23.6
72.29536	1.9
73.02937	3.9
75.14787	2.0
85.02951	8.1
87.00867	3.5
89.02438	34.1
97.02936	2.8
101.02437	23.6
113.02439	18.7
119.03468	9.5
125.02419	4.4
128.93066	2.2
155.85538	2.2
161.04550	4.9
179.05739	2.5
215.29774	2.2
231.32785	2.2
235.08238	4.2
277.21719	100.0
397.13522	97.2
415.14731	23.6
566.60046	2.3
618.73511	2.4
661.43140	13.1
675.35974	41.5
721.42670	2.2
738.12042	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	721.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60566	1.3
59.01380	42.9
71.01370	22.9
71.23190	1.5
73.02935	4.0
83.01382	1.7
85.02944	4.0
87.00880	7.5
89.02438	30.0
97.02949	3.1
101.02441	28.0
113.02463	12.2
119.03498	8.7
121.71643	1.6
125.02425	8.9
139.03903	1.6
141.97690	1.6
158.92230	1.8
161.04553	3.7
179.05562	1.7
179.32367	1.8
187.98120	1.7
200.80446	1.8
224.76456	1.7
224.99425	1.8
235.08289	8.3
277.21732	100.0
280.22800	2.0
318.18887	2.3
397.13535	91.8
415.14603	24.2
675.35870	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	721.3664
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24169	1.6
57.03452	2.1
59.01381	100.0
67.09075	1.6
68.94432	1.6
71.01379	31.8
73.02942	7.8
74.28722	1.7
83.01362	3.0
83.62228	1.7
85.02919	6.8
87.00854	7.5
87.26218	2.1
89.02441	38.0
97.02920	3.3
99.04505	3.0
101.02435	35.0
108.46884	1.7
113.02424	17.8
116.92854	2.3
119.03490	10.4
125.02412	9.9
143.03462	2.3
161.04558	3.5
179.05527	6.4
202.71402	1.9
221.06641	2.0
263.20151	82.8
265.14807	7.9
287.07855	2.5
397.13522	77.7
415.14532	28.1
661.34387	35.7
661.43634	9.1
678.42932	22.3
721.44769	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	721.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04602	1.2
53.07363	1.4
59.01385	100.0
59.19923	1.5
71.01376	19.9
71.81419	1.5
73.02940	14.5
73.22987	1.4
76.05269	1.3
76.48117	1.6
77.78740	1.3
79.94247	1.4
83.01415	2.1
85.02942	7.1
89.02441	12.6
89.47020	1.4
101.02443	16.3
103.71777	1.7
113.02428	18.0
119.03467	3.3
123.26131	1.6
131.03555	1.6
134.38362	1.4
135.52086	1.4
146.03328	1.7
149.04546	1.8
161.04523	7.3
166.74394	1.4
180.59425	1.8
219.89830	1.6
225.33791	1.4
245.79129	1.5
328.08203	1.5
617.40765	21.3
635.42053	14.0
677.42804	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	721.4176
Annotation	Yamogenin 3-O-neohesperidoside
Peak:m/z	Relative Intensity
51.83480	1.1
53.15626	1.0
59.01381	100.0
63.34354	1.1
71.01374	21.2
73.02940	19.5
73.86874	1.2
74.13628	1.1
83.01382	2.8
85.02959	2.4
89.02440	13.5
101.02422	18.0
113.02441	21.1
119.03497	7.5
119.14005	1.1
131.03442	1.4
143.03549	1.4
153.86623	1.3
161.04546	7.4
179.05647	2.3
221.06741	2.4
253.70636	1.4
308.09625	1.3
421.09439	1.7
517.79303	1.7
617.40729	20.1
635.41644	20.7
677.42828	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	721.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88467	0.5
59.01381	100.0
64.63950	0.6
71.01381	11.9
71.01743	1.0
73.02950	5.8
73.89960	0.6
83.01369	1.1
84.61132	0.6
85.02941	4.7
87.00874	1.0
89.02444	6.0
92.22560	1.0
95.01382	0.8
97.02983	0.9
99.32372	0.7
101.02441	10.4
113.02436	8.2
119.03521	2.7
135.40231	0.7
140.48427	0.7
143.03510	1.4
157.48863	0.7
161.04488	2.5
201.89447	0.7
221.06641	1.3
264.28433	0.7
277.21802	7.9
284.70944	0.8
308.75879	0.8
311.71103	0.8
397.13571	7.0
405.66452	0.8
415.14584	3.9
601.40918	3.9
617.40979	0.9
619.42029	4.9
635.41699	6.2
661.43250	22.7
675.35828	3.3
677.42773	11.0
721.45264	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	721.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30108	0.5
56.80991	0.6
57.03439	0.9
59.01385	100.0
61.96186	0.6
63.49827	0.6
68.41192	0.6
71.01389	8.4
73.02947	3.7
83.01353	0.7
85.02957	5.8
89.02431	1.3
99.00864	1.1
101.02447	10.6
113.02448	5.6
119.08737	0.6
122.62083	0.6
127.34161	0.6
161.04546	2.6
161.43715	0.7
316.17142	0.8
348.55737	0.7
474.75665	0.7
607.48096	0.7
617.40472	1.3
635.42224	5.1
677.42847	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	721.418
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
66.42080	0.9
69.92232	0.9
71.01380	20.3
73.02958	4.5
85.02948	7.9
89.02438	16.0
95.01389	1.6
99.00842	1.2
101.02443	12.1
113.02432	17.2
119.03492	7.1
146.62990	1.0
161.04517	1.5
166.98325	0.9
171.69263	0.9
259.92743	1.0
382.63596	1.1
617.40576	38.5
635.41705	29.8
677.42731	73.3
721.41827	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	721.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90854	0.7
57.03456	1.6
59.01383	100.0
71.01379	25.1
73.02944	10.5
80.95536	1.0
82.16660	0.8
83.01402	2.0
85.02956	10.5
89.02430	21.0
89.28753	0.9
90.33521	0.9
95.01370	2.2
96.62859	1.0
97.02969	1.2
99.00851	1.8
101.02439	23.5
113.02441	20.2
119.03485	6.0
125.02442	4.3
143.03497	1.7
161.04544	2.3
215.94864	1.0
234.28761	1.0
235.08110	1.5
277.21701	28.0
397.13489	29.2
415.14542	9.5
437.34338	1.2
453.33643	1.2
473.36349	24.8
532.44617	1.1
533.36719	1.1
565.77301	1.1
569.57684	1.3
617.40680	42.9
635.41669	22.3
661.42932	5.6
675.35999	15.2
677.42804	66.0
721.23065	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	721.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20261	0.8
59.01385	100.0
62.36112	0.8
68.17084	0.8
71.01389	12.0
71.55894	0.8
73.02940	4.8
74.26282	0.8
79.36833	1.0
81.95462	0.9
83.01418	1.1
85.02941	6.4
85.14090	0.9
87.00879	1.1
89.02461	1.4
95.01372	1.4
97.86399	1.0
99.00802	1.0
101.02460	11.0
113.02452	8.3
161.04546	2.4
185.55692	1.0
451.10278	1.1
533.29572	1.7
635.41833	11.3
677.42889	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	721.4186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28175	2.6
59.01381	100.0
69.27405	2.3
71.01379	6.1
73.02922	3.2
92.22526	5.2
92.23033	4.3
101.02441	3.4
115.30656	2.6
118.18018	2.4
128.32056	2.5
228.53842	2.9
247.73312	2.6
388.54807	2.8
490.76324	3.0
661.39563	4.5
677.43066	18.0
685.16711	2.8
721.42200	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	721.418
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.4
59.01384	100.0
69.04198	1.0
70.93147	0.9
71.01383	10.7
73.02941	2.1
85.02950	5.0
86.11449	0.8
87.06245	0.8
89.02477	1.3
99.00918	1.0
99.04545	1.4
101.02434	12.6
106.37016	1.0
113.02450	8.7
119.03463	1.3
161.04488	1.1
187.95007	0.9
243.90701	1.1
269.47186	1.2
315.16467	0.9
353.66003	1.0
357.66379	1.1
375.90622	1.0
397.13492	1.1
466.93668	1.0
484.71045	1.0
556.85815	1.1
617.40717	1.3
635.41669	8.0
677.42743	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	721.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40554	0.7
59.01382	100.0
61.98840	0.8
106.55363	0.9
111.54503	0.8
115.87063	0.8
136.27309	0.9
149.14815	0.8
166.15321	0.9
192.43210	1.0
229.25581	0.9
236.37001	0.9
429.35419	0.9
475.61102	0.9
721.45367	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	721.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66041	0.7
54.59240	0.9
59.01381	100.0
68.31566	0.8
85.34401	1.0
89.50603	1.0
97.71194	0.8
107.54592	1.0
114.23331	1.0
124.04025	0.9
152.97559	1.1
220.23911	0.9
316.01019	0.9
619.42206	1.3
661.43237	14.5
721.45477	23.9
721.57306	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	721.4539
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
71.01357	0.7
72.36700	0.6
78.93903	0.6
452.25134	0.7
524.11646	0.7
661.43219	19.3
721.45374	12.7
728.23126	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19795	0.8
59.01381	100.0
64.59032	0.8
71.01376	1.0
88.44149	0.8
89.02428	1.1
95.01312	0.8
101.02442	1.0
133.54312	1.0
186.79143	1.0
661.42670	4.0
719.87720	1.1
721.44983	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	721.4909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25917	0.7
54.52661	0.7
59.01381	100.0
78.95898	2.0
91.03960	2.9
150.95233	0.9
152.99590	1.7
162.46915	0.9
171.10275	5.9
190.21843	0.8
211.13463	1.1
255.23331	5.5
277.21729	65.5
291.19635	1.4
293.21231	5.8
295.22824	13.4
309.20670	10.1
311.22324	4.9
327.21881	6.9
587.43286	4.6
721.45984	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	722.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02973	1.2
53.95696	1.4
59.01374	11.3
61.98822	12.0
68.75192	1.4
69.64609	1.2
71.96203	1.5
80.96545	1.9
112.06774	1.4
193.44774	1.6
409.52155	1.9
467.21097	2.2
469.22528	6.5
470.22726	2.2
479.20880	1.9
496.17804	9.3
497.18130	3.6
512.17023	17.2
514.18073	2.6
515.17139	6.4
523.20105	3.1
528.16516	3.3
536.17096	8.6
539.17151	1.8
554.19342	2.2
555.18787	19.0
558.19122	2.9
585.19629	2.8
630.20966	2.9
659.23718	100.0
662.24182	14.9
722.25989	15.4
722.38409	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	722.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59519	0.8
57.80665	0.8
59.01379	5.3
60.06593	0.8
64.68484	0.9
70.49571	0.9
71.01379	10.7
75.00869	2.4
81.24281	1.0
85.02949	6.4
87.00896	1.4
89.02440	4.5
89.52891	0.9
92.22568	1.1
93.52817	1.0
101.02448	4.9
113.02444	1.1
119.05012	28.6
120.05357	2.3
146.08237	28.3
163.04016	100.0
164.04361	15.7
177.04047	5.5
195.05061	4.2
219.69081	1.3
308.13608	4.0
341.08838	36.9
341.15082	1.3
342.09052	8.7
342.89178	1.1
380.15649	68.3
437.05084	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.7
71.01375	3.4
71.97243	0.9
72.99294	0.9
73.02930	1.7
74.59959	0.7
81.03474	1.2
83.01385	4.7
89.02453	1.4
91.61800	0.7
92.23178	1.5
99.00857	1.0
101.02438	1.4
111.04473	1.4
111.42782	0.9
113.02425	3.5
114.31959	0.9
121.02902	1.4
123.04514	12.0
125.02433	36.5
134.03741	9.8
135.04515	1.1
137.02443	1.9
149.02472	5.9
149.06084	3.5
151.04050	0.9
153.05618	0.8
155.85992	0.9
160.01646	4.0
163.03960	3.3
166.02750	3.6
167.03494	100.0
175.04015	8.1
177.05499	1.1
178.02695	1.4
179.03505	13.4
180.04248	1.2
181.05157	2.0
191.03514	5.7
193.05031	15.6
205.05043	5.8
206.02208	4.4
207.02980	1.4
209.04572	1.8
221.04533	9.4
223.06137	3.6
233.04503	3.4
235.06050	1.6
239.05745	1.0
245.04594	1.1
263.05569	1.7
270.25830	0.9
281.06650	2.0
299.07886	1.5
443.11969	4.7
461.13104	1.9
485.13086	53.0
503.14218	13.2
637.17841	3.2
679.18927	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	723.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.7
60.93558	0.4
87.00855	0.6
88.98773	0.7
115.01812	0.5
147.04485	3.4
165.01921	2.6
215.02055	0.6
255.03029	6.9
256.09897	0.5
271.06110	1.9
283.02496	78.5
284.03320	4.5
298.04846	100.0
299.05624	11.7
339.05576	0.5
575.14203	37.4
599.60675	0.5
723.19385	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	723.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10894	0.7
59.01369	1.7
65.56996	0.8
67.52405	0.9
71.01395	1.2
73.02953	1.4
87.00869	47.5
89.02436	1.1
101.02456	1.4
119.08671	1.1
136.01668	10.3
137.02440	2.0
151.04018	61.9
166.02724	15.2
175.07672	1.6
178.36449	0.9
181.05074	80.2
212.22911	0.9
263.16620	1.1
289.18204	1.4
307.19312	1.3
357.09698	6.8
372.12158	19.6
387.14511	40.1
397.13507	1.7
443.42593	1.0
475.16086	12.4
679.22498	100.0
687.32611	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	723.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.8
58.00603	1.1
59.01382	100.0
60.08451	0.6
62.24702	0.8
71.01378	56.8
73.02940	16.2
76.01255	0.8
76.75186	0.7
80.96758	0.7
83.01387	4.0
85.02936	10.4
87.00869	3.1
89.02438	83.2
95.01392	4.4
101.02435	42.8
108.02171	4.5
113.02446	39.7
119.03493	29.3
121.03092	0.9
123.04523	10.8
131.03513	5.5
136.01657	1.9
143.03494	4.2
149.04535	6.4
149.05769	0.8
151.04004	12.8
160.05339	1.4
161.04549	15.5
179.05617	36.9
187.03983	1.0
188.04865	5.5
203.07161	17.4
221.06689	8.6
221.09364	0.7
263.07166	1.3
264.07800	0.9
277.08838	0.9
278.09412	1.6
279.06622	9.2
291.06641	1.1
294.09015	15.0
296.10446	1.0
306.09030	4.0
309.07651	4.9
309.11365	21.3
324.10034	5.4
327.12491	2.8
339.12384	30.8
357.13547	10.3
381.13419	1.3
489.17682	10.9
501.17746	46.2
519.18927	11.8
531.18793	8.5
543.10254	1.2
543.18787	37.9
561.19965	8.7
589.10687	0.9
668.96442	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.6
58.00607	0.6
59.01382	100.0
69.03450	0.6
71.01378	45.7
72.99314	1.5
73.02942	33.1
75.00860	0.5
83.01385	7.5
85.02945	7.5
87.00892	2.0
89.02439	50.4
95.01372	4.2
95.98694	0.4
97.02936	0.6
99.00874	0.4
99.04550	0.4
101.02441	45.7
113.02446	32.0
119.03489	17.1
120.85286	0.4
125.02463	0.9
131.03508	5.1
135.44260	0.4
137.02454	1.5
143.03516	4.0
147.04495	0.4
149.04558	7.6
155.03540	0.6
161.04552	14.9
165.05597	0.7
179.05598	13.2
194.05911	0.4
203.05704	1.8
207.06676	0.5
214.72577	0.4
221.06712	5.0
291.06796	1.3
291.14560	0.6
309.07962	0.5
309.11603	0.4
321.11505	0.4
324.10080	0.5
329.65814	0.5
339.12714	1.5
381.13541	1.6
384.10394	0.4
411.14224	0.5
501.17725	41.6
543.18854	2.1
723.25061	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80808	0.4
59.01381	1.9
59.08241	0.4
66.28983	0.5
71.01381	1.0
71.04993	0.5
73.02934	1.6
75.00877	3.9
81.03458	1.0
87.00871	4.4
89.02427	0.4
99.00829	0.7
99.04504	1.7
117.03429	2.7
119.05008	11.4
134.03729	34.0
149.04871	0.6
149.06075	13.3
161.04546	10.2
163.04008	33.0
178.02693	6.5
179.05621	0.9
191.05614	0.6
193.05063	100.0
209.06694	3.5
307.14108	0.5
355.10382	53.7
401.23969	0.5
618.04010	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55359	1.2
53.04397	1.3
57.03454	8.3
58.30382	1.6
59.01382	24.3
74.85011	1.4
75.00885	1.6
99.04508	15.5
125.02444	13.0
158.69476	1.8
164.59065	1.7
314.27310	1.9
330.53479	1.6
385.76636	1.8
496.20023	2.2
497.20486	2.3
505.56940	1.9
511.22519	9.4
512.22266	2.6
513.20239	4.2
527.21893	8.0
541.20007	3.6
555.21735	14.7
583.20911	2.8
587.24371	2.5
659.22699	100.0
691.25641	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	723.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19609	0.5
56.00414	0.5
59.01382	4.0
75.58438	0.5
92.22469	0.6
110.00114	0.7
110.48145	0.6
116.92875	0.7
128.91055	0.5
139.94080	0.5
158.49095	0.6
160.01500	0.7
161.99561	0.9
165.01904	1.1
173.70697	0.6
227.03485	3.2
228.04451	0.7
255.03004	12.1
256.03784	4.2
261.55405	0.6
268.96658	0.7
270.57874	0.5
271.06033	1.1
277.21832	1.1
278.22052	2.2
279.22449	0.9
283.02502	94.0
284.03271	29.9
298.04858	69.7
298.07428	1.3
299.05634	61.8
312.72769	0.6
723.33923	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92551	4.7
53.87959	4.3
59.01382	78.0
65.71808	4.5
66.02238	4.4
68.05283	4.6
68.67018	5.2
71.01374	36.6
81.03486	5.5
81.17783	5.2
83.01397	8.4
85.02937	10.6
89.02456	35.4
101.02450	32.5
109.82170	5.0
110.29685	5.5
113.02438	8.8
119.03471	13.6
120.90929	5.1
125.02470	8.5
125.09707	26.1
131.45763	5.7
149.25153	5.6
163.11243	10.5
179.05553	6.8
185.11809	10.6
191.14359	7.2
207.10272	6.5
209.11813	44.3
218.84790	5.2
228.05618	5.3
235.08189	6.2
245.19131	10.1
289.18143	100.0
307.19223	80.2
325.24139	5.7
397.13470	43.7
415.14685	36.1
607.26691	6.8
729.72583	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	723.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
61.75302	0.3
61.83815	0.3
66.56387	0.3
71.77755	0.3
73.22756	0.3
109.02937	8.4
110.87655	0.4
121.02946	47.0
122.03728	13.2
123.04541	2.2
135.04521	23.4
138.03281	0.6
147.04549	0.7
149.02457	1.9
153.05614	0.7
164.04790	6.8
164.80515	0.4
179.07135	6.7
183.13913	0.4
197.61412	0.4
242.09554	0.7
244.07536	0.4
259.09579	0.5
268.07007	0.4
271.06155	8.1
277.21619	1.4
285.07413	0.4
286.08481	14.5
301.10834	100.0
352.99844	0.4
445.15131	0.7
723.37549	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	723.3975
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06135	0.7
56.84965	0.8
57.03449	2.2
59.01381	92.8
71.01375	33.3
71.01770	0.9
72.99329	1.4
73.02964	2.1
77.40714	1.0
83.01375	1.4
85.02942	6.0
89.02434	50.5
95.01373	1.7
101.02441	28.3
111.78342	0.9
113.02435	22.0
119.03496	22.0
125.02418	1.6
143.03499	4.3
149.04558	1.7
158.04292	1.0
161.04552	3.6
179.05612	12.8
283.02512	9.0
284.02805	6.1
285.02853	1.9
296.38846	1.1
298.04886	8.6
299.05103	6.8
300.05496	4.0
325.20383	2.3
338.43958	1.1
475.28778	1.0
645.36517	100.0
663.37549	30.7
679.17584	9.9
723.37524	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	723.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64290	0.6
54.02378	0.6
59.01367	1.9
71.01381	1.5
73.49976	0.7
83.67606	0.7
89.02428	3.3
101.02422	4.3
113.02456	1.1
165.12823	6.0
183.13899	99.1
227.12918	1.8
251.92929	0.8
253.09265	3.6
277.21735	32.0
455.81235	0.9
723.43304	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.4
59.01383	2.9
61.42475	0.3
61.94065	0.4
62.40024	0.4
63.12911	0.4
67.19148	0.3
71.01377	2.5
73.02926	0.7
87.00854	0.6
89.02422	2.0
101.02419	3.5
111.08112	1.0
113.02450	1.6
114.96646	0.4
161.04564	0.6
165.12834	6.6
183.13902	49.6
227.12758	0.5
253.09329	2.6
277.21738	68.1
360.26624	0.5
364.46039	0.5
660.04840	0.5
722.29681	0.5
723.43329	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.48218	0.9
65.09382	0.9
65.16641	1.0
69.89319	1.0
70.29989	0.9
72.17384	1.0
81.71934	0.9
119.12010	1.0
129.53445	1.1
141.62491	1.1
242.29442	1.3
361.08582	1.0
468.33408	1.3
561.37878	1.2
615.10254	1.1
641.51312	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.1
59.01382	100.0
71.01375	17.0
73.02934	4.0
79.37580	2.1
79.89201	1.7
85.02948	10.5
92.22564	2.2
92.60796	1.5
99.00851	3.5
101.02446	17.6
113.02438	11.8
135.66855	1.8
177.05052	2.1
220.34409	1.7
306.14160	1.8
399.32996	3.3
474.77115	2.5
475.38132	7.3
531.19147	2.0
608.48511	2.1
619.42340	28.7
637.42975	14.8
679.44366	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	723.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55058	1.6
51.88487	1.5
56.52140	1.9
59.01379	40.9
65.14523	1.8
66.62144	1.6
71.01370	13.7
76.25887	1.8
77.65115	2.0
78.63213	1.7
79.34247	1.8
82.89116	1.7
84.26779	1.7
89.02437	23.9
89.14458	1.8
101.02441	11.8
105.46992	1.7
112.08260	1.9
113.02451	9.0
119.03499	9.8
161.04541	3.3
170.14116	1.9
179.05585	17.6
311.09964	2.1
386.21121	2.0
397.63724	2.2
677.42780	100.0
680.43152	3.2
723.43573	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	723.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59974	1.1
59.01382	87.8
60.99297	6.8
71.01379	28.6
85.02964	2.3
87.00870	11.8
88.00402	5.4
88.98803	67.7
89.02439	75.8
92.22526	2.7
99.04506	1.5
101.02444	2.4
104.61823	1.3
112.92393	1.3
113.02442	3.0
131.03510	2.4
149.04552	9.8
153.03282	1.3
162.50989	1.2
194.94955	1.2
248.43849	1.5
283.02551	2.4
298.04849	2.0
341.48929	1.6
417.92877	1.6
577.91760	1.8
616.21283	1.7
663.41205	100.0
679.17023	2.0
744.98029	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	723.5036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80938	0.7
54.59693	0.7
59.15752	0.8
64.31756	0.9
71.01395	0.9
85.02961	1.1
95.04945	1.2
112.07683	8.2
113.06096	1.3
129.10318	4.1
130.08742	12.5
154.00032	1.1
164.52242	1.0
165.41454	0.9
175.04016	1.1
178.02673	1.1
193.05066	5.5
207.14972	3.8
208.13469	1.2
224.17686	2.1
225.16090	27.2
320.23474	2.1
335.76517	0.9
337.26157	3.9
338.24463	7.0
354.49588	1.0
375.14459	1.1
405.19910	1.1
433.32193	3.2
448.22379	1.3
450.34579	4.1
530.04688	1.1
546.40247	1.5
563.42792	1.4
659.48553	8.4
677.49768	100.0
680.50903	1.7
723.20850	7.3
723.50287	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	725.1581
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39566	0.1
57.17292	0.1
59.01377	0.7
61.48791	0.2
65.00336	0.2
68.20493	0.2
71.01405	0.4
73.02954	0.2
89.53797	0.2
109.02941	0.4
121.02946	3.2
149.02460	0.3
162.67488	0.2
164.55823	0.2
165.01923	15.9
193.01445	5.3
207.02931	0.3
228.04211	0.3
249.03346	0.5
256.03741	0.2
269.04645	0.9
271.02448	3.6
285.04037	0.4
286.04718	0.7
287.05630	1.4
297.03897	0.3
299.01990	26.4
300.02753	5.3
308.90845	0.2
313.03452	0.9
314.04358	100.0
315.05139	72.5
327.05426	0.3
327.21594	0.3
407.92072	0.2
416.01016	0.2
459.09308	0.2
477.10449	20.6
519.11493	55.0
681.16760	17.4
699.96051	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	725.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06453	0.5
59.01370	2.7
63.94610	0.6
65.23399	0.5
70.83157	0.5
83.09266	0.7
85.02950	1.1
89.02449	0.9
90.24007	0.6
90.24528	0.8
92.22430	1.0
101.02441	1.2
113.02444	0.9
119.05003	1.0
126.71698	0.6
145.02908	4.8
151.00323	3.2
163.04048	2.3
165.01942	3.9
165.08577	0.6
171.10265	3.1
211.13345	2.7
227.03448	4.0
229.14400	3.0
240.04224	1.1
255.03015	17.1
256.03748	3.0
257.04617	1.1
271.06067	4.7
283.02518	6.0
284.03290	100.0
285.04016	11.6
298.04861	23.7
299.02240	1.7
299.05609	37.6
315.37738	0.8
327.21848	11.1
415.14468	3.3
461.11075	8.3
503.12036	17.8
533.52838	0.6
561.12439	5.2
579.14075	5.4
725.17352	48.3
725.36139	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	725.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84596	0.2
51.99659	0.2
57.03440	0.2
59.01382	5.2
73.02944	3.2
83.01395	0.4
85.02949	0.6
89.02451	1.0
92.23141	0.4
101.02438	2.8
113.02441	1.8
117.03427	0.5
119.03483	0.6
119.05013	3.2
125.02393	0.3
134.03726	0.4
145.02927	4.3
149.04602	0.3
151.00389	2.2
160.01707	0.5
160.39569	0.3
161.04568	1.0
163.03975	2.5
175.03979	2.4
178.99821	0.5
183.13890	0.4
193.05090	1.2
221.06573	0.6
227.03496	5.6
229.05052	0.5
255.03000	18.5
256.03775	3.8
257.04639	1.1
258.30072	0.2
282.10245	0.4
283.02588	1.0
284.03290	100.0
285.04068	13.7
299.05688	0.4
327.05298	0.4
327.21777	0.4
339.05273	0.4
404.15906	0.4
447.09039	0.4
466.16418	0.4
561.12531	7.7
579.13666	5.6
665.39166	1.9
725.17291	50.3
754.57190	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60118	0.5
59.01370	2.6
69.41946	0.4
71.01379	0.8
74.99335	0.5
76.61749	0.4
83.62765	0.6
87.70264	0.5
89.02422	0.5
99.15101	0.5
101.02437	0.7
165.01927	14.4
194.22862	0.5
231.10855	0.5
240.04277	2.2
255.02986	0.6
255.06575	0.7
256.03745	0.8
271.06113	12.6
283.02505	11.9
284.03250	6.2
297.04056	1.1
298.04846	35.8
299.05618	100.0
314.04352	12.8
315.05099	6.3
341.06726	0.7
461.10947	30.0
477.10269	2.1
503.11987	35.9
519.11609	8.2
665.38080	0.7
666.78461	0.5
681.16565	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	725.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22807	0.3
57.44220	0.4
71.57220	0.3
72.99308	0.6
80.64907	0.3
87.20148	0.4
93.03449	15.5
101.02504	0.4
105.01941	0.4
111.60757	0.4
113.02442	0.6
114.30330	0.4
136.04048	1.0
137.02444	77.6
147.04460	0.7
149.02437	6.2
150.03319	0.5
151.04037	0.9
152.01163	1.6
164.04800	22.7
165.25533	0.4
179.07149	11.7
190.02734	5.5
193.01437	0.8
193.05067	0.5
205.05066	15.9
208.03784	33.4
209.04593	0.7
223.06133	100.0
311.07666	3.4
413.11032	3.1
431.12054	0.6
470.22818	0.4
479.45068	0.4
502.40540	0.5
637.17761	25.9
725.19446	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	725.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21890	1.2
69.18649	1.1
76.08720	1.3
78.20468	1.5
85.02956	1.7
108.02166	18.0
109.02937	8.5
119.05004	15.7
145.02991	4.9
151.03967	1.6
152.01152	100.0
153.01891	6.4
163.04015	33.4
179.03517	1.5
193.05019	1.3
288.55127	1.3
329.14212	1.8
399.09286	19.8
417.10547	25.3
497.65311	1.6
563.14075	5.5
626.25665	1.8
725.19342	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	725.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76574	0.4
60.81808	0.4
62.57801	0.4
72.99306	0.6
87.00851	0.5
90.99581	0.4
93.03446	9.5
114.75873	0.5
121.02962	0.6
124.93738	0.5
134.03725	1.7
137.02446	43.7
142.05061	0.5
149.02457	3.7
149.06073	0.6
152.01100	1.1
163.03760	0.5
164.04784	15.6
179.07146	9.0
190.02675	3.3
193.01314	0.8
193.05103	2.8
205.05116	9.2
208.03786	35.1
223.06134	100.0
237.93201	0.5
308.07639	0.5
311.07831	1.0
413.10837	0.9
458.99295	0.5
637.18030	7.2
725.19458	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	725.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90752	0.8
66.92058	1.0
72.99303	1.3
74.63181	0.9
87.00848	1.6
88.79431	1.0
100.46815	1.1
108.02155	5.0
111.12621	1.1
123.04527	7.8
127.04051	1.1
134.03743	21.7
137.75180	1.1
149.06059	15.4
152.01132	12.2
153.01900	1.5
160.01619	2.0
167.03490	63.9
173.04623	1.2
175.03960	9.0
178.02704	15.5
191.05582	1.8
193.05070	100.0
203.05373	1.0
294.16724	1.1
367.10663	1.3
406.65668	1.2
557.15125	1.3
637.18127	2.4
725.19409	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	725.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93865	0.6
59.01381	36.3
60.00694	0.5
71.01382	0.9
71.96944	0.6
72.99310	0.8
75.72217	0.7
89.02419	0.8
103.75624	0.6
113.02402	1.1
119.04969	1.2
119.17446	0.6
119.18433	0.6
147.04517	94.6
147.61168	0.7
165.05560	100.0
176.91286	0.8
207.06638	74.1
219.47006	0.8
418.85583	0.7
429.21320	4.2
494.31018	0.8
725.21033	1.1
725.38654	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	725.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05873	0.4
55.47654	0.4
55.93962	0.4
57.26011	0.4
59.01380	9.2
71.01369	5.5
73.27578	0.4
78.54359	0.4
85.02961	3.4
86.06993	0.5
87.00864	0.7
89.02437	5.8
89.83949	0.4
95.01357	0.6
95.42675	0.5
97.02925	0.5
97.31686	0.5
98.12907	0.5
98.38685	0.5
101.02425	5.2
113.02452	4.1
117.03417	0.9
119.03494	1.1
132.02139	0.9
134.03741	23.9
145.02892	0.9
149.06055	4.6
160.01653	30.7
161.02391	2.0
171.10182	2.2
175.04005	79.2
178.02626	0.5
179.03436	1.1
183.13785	1.2
191.07095	0.7
193.05064	30.7
211.13315	1.1
227.75946	0.5
229.14354	0.6
235.06125	1.1
255.02922	2.6
256.03772	0.6
284.03259	14.5
285.04019	2.9
306.02078	0.5
309.57278	0.6
327.21817	7.4
415.14398	3.2
561.11908	0.7
579.12921	0.8
592.82556	0.6
665.38068	2.6
725.17371	8.4
725.29956	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
63.20967	0.6
67.23312	0.5
71.01373	9.8
73.02946	4.5
83.01377	0.9
85.02943	3.3
89.02434	4.9
99.00888	1.3
101.02433	16.4
113.02436	9.1
119.03498	1.1
159.02986	1.0
161.04555	11.9
179.05583	3.3
235.11873	41.2
259.82660	0.8
277.12927	50.9
321.11850	1.1
403.20062	4.4
567.83649	0.8
643.95398	0.7
752.90161	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.361
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19165	0.6
57.84466	0.7
59.01382	28.2
59.19938	0.6
60.83738	0.5
71.01372	10.9
85.02955	2.4
89.02436	17.6
92.22755	1.0
95.01397	0.6
101.02441	13.1
103.99013	0.6
113.02438	9.2
119.03470	7.2
119.04903	0.6
120.00375	0.6
139.21992	0.6
141.09235	9.0
148.64961	0.6
159.10281	7.2
161.04591	0.8
171.06708	0.7
174.05632	1.2
231.62570	0.7
235.11877	1.4
277.12924	3.9
321.15582	100.0
343.12866	0.8
403.19916	1.0
426.31155	0.6
699.01556	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49449	0.9
57.03440	1.5
58.49935	0.8
59.01379	19.8
66.98284	1.1
69.03470	1.1
70.77610	1.0
71.01386	13.0
73.02970	1.1
78.00295	1.1
78.94624	1.0
85.02948	13.1
89.02447	13.5
97.02939	1.4
97.06597	4.6
99.00887	1.3
99.31612	1.3
101.02455	12.4
113.02425	4.9
119.03500	1.7
125.02422	2.1
127.11308	1.4
134.03731	14.5
135.97231	1.1
137.09705	1.4
149.06071	1.9
150.03235	2.6
160.01649	9.3
165.05565	4.6
171.10275	27.2
175.04001	31.2
175.05392	2.1
180.19200	1.1
183.13867	8.9
191.03426	10.5
193.05046	16.1
201.11302	1.5
205.05017	2.6
209.11774	1.4
211.13405	29.4
221.11766	2.8
229.14447	20.8
233.04518	4.4
235.08266	1.6
239.12863	5.4
239.16422	1.4
259.23230	1.1
266.42944	1.4
270.74533	1.3
284.03247	2.7
291.19757	5.8
299.05563	1.2
309.20602	1.6
327.21820	100.0
415.14554	29.3
511.90961	1.3
665.38361	2.7
665.87372	1.3
712.28815	1.3
725.19897	7.7
725.35260	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	725.3614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08351	0.4
56.12030	0.4
56.22093	0.4
57.03450	0.6
59.01105	0.8
59.01385	16.1
59.62704	0.4
60.01214	0.4
63.44301	0.4
71.01384	10.9
73.02930	1.8
75.71952	0.4
81.03448	0.5
83.01411	0.8
83.05035	2.4
85.02924	1.6
87.00879	2.4
89.02438	14.9
89.54665	0.5
95.05003	0.5
97.02942	2.1
99.00884	0.8
101.02440	13.5
113.01767	0.6
113.02459	7.0
113.46913	0.4
115.02282	0.5
119.03471	4.1
119.31898	0.4
125.02451	3.4
129.09207	7.1
139.04109	0.5
141.09216	3.2
142.66614	0.5
143.03539	1.1
161.04539	2.8
163.11301	2.7
165.12794	2.2
179.05667	1.1
185.11839	17.8
191.10777	0.5
197.11850	15.9
209.11848	100.0
217.40306	0.5
221.06602	0.5
225.59914	0.6
227.12865	5.9
235.08238	3.7
253.09256	0.8
264.18970	0.5
291.19644	6.6
305.08887	0.6
309.20773	9.2
321.06165	0.7
325.20743	0.6
327.21796	25.0
397.13547	44.3
415.14639	20.9
607.26233	23.1
665.38910	0.8
707.34833	4.0
720.87305	0.5
725.35956	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	725.3611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27602	0.4
56.84450	0.4
59.01104	0.9
59.01382	17.2
64.86269	0.4
71.01379	9.0
73.02927	1.2
81.03490	0.6
81.55901	0.6
83.01396	0.8
83.05029	3.0
85.02952	1.1
87.00859	0.9
89.02432	14.2
97.02937	0.7
101.02438	14.3
113.02447	6.0
119.03488	3.0
125.02430	3.2
125.06047	0.6
129.09218	7.7
141.09229	2.7
143.03529	0.7
147.42960	0.5
161.04597	2.0
163.11276	1.2
165.12862	2.8
171.10265	0.8
179.05641	1.1
185.04561	0.6
185.11823	17.4
191.10745	0.6
197.11844	17.6
209.11847	100.0
221.06737	0.8
227.12817	7.0
235.08226	3.6
238.12303	0.5
253.09311	1.8
291.19717	4.8
305.08737	0.9
309.20825	9.8
327.21793	25.6
396.45715	0.5
397.13553	41.6
415.09363	1.0
415.14642	20.5
583.25171	0.6
607.26208	25.9
682.43042	0.7
707.35217	5.5
725.36023	6.9
741.49591	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00897	0.4
56.20538	0.5
59.01387	1.1
71.01374	4.9
73.02930	0.6
78.98597	4.2
79.95731	2.6
80.96514	39.3
81.03448	0.6
85.02923	1.1
87.00878	1.1
93.55149	0.5
94.30910	0.6
94.54842	0.6
94.98081	9.4
97.02915	1.3
101.02412	2.9
106.98085	1.1
113.02423	0.9
116.92912	0.6
122.97558	2.7
125.02431	3.3
125.09690	2.2
134.97588	4.0
136.99104	2.8
148.99142	7.3
152.98643	8.3
164.98636	18.5
187.09714	1.2
206.99794	5.3
218.63342	0.5
225.00760	41.8
255.23148	0.8
300.10406	0.7
303.78827	0.5
335.65350	0.6
469.13907	7.2
537.27368	2.5
627.07855	0.6
725.37976	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.2
65.91349	0.7
71.01371	4.2
73.02939	0.7
78.98602	3.0
79.95737	4.1
80.96514	35.5
81.03424	0.8
85.02917	1.1
87.00864	1.5
94.98083	10.6
98.88767	0.7
101.02430	1.6
106.98100	0.9
112.18348	0.7
116.92829	0.7
120.64761	0.7
122.97585	1.1
125.02416	3.7
125.09705	1.7
134.97588	6.0
136.99162	1.1
148.99142	8.1
152.98669	5.8
162.30188	0.8
164.98630	18.4
195.12523	0.7
206.99660	3.7
225.00754	33.3
283.02264	0.9
306.66122	0.8
398.42410	0.8
410.92276	0.9
469.14063	6.3
469.20297	0.8
530.85803	0.8
537.27386	4.1
590.85651	0.9
618.88782	0.8
704.51337	0.8
725.38031	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	725.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03243	0.8
57.03460	14.0
59.01099	1.2
59.01382	22.6
65.70046	0.8
71.01382	25.3
73.02943	7.6
76.50993	0.9
83.01388	4.4
85.02942	9.2
87.00888	1.4
89.02426	10.7
93.27557	0.9
95.01374	1.7
99.00861	4.2
99.04504	9.5
101.02435	28.7
106.97491	0.9
111.00834	1.7
113.02437	20.0
119.03481	5.4
125.02431	6.5
129.01920	1.0
137.30371	0.9
141.01949	1.0
143.03456	2.1
155.75085	0.9
159.02939	3.8
161.04553	12.1
419.26437	9.0
419.30582	6.0
563.34619	2.2
581.26184	1.5
581.35376	36.7
623.36810	5.8
665.38995	2.2
681.40814	1.4
725.39801	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	1.2
57.03456	27.9
59.01107	1.1
59.01382	27.3
61.88530	1.1
62.97953	1.0
71.01377	22.6
73.02943	11.0
76.41569	1.1
77.21153	1.1
77.44891	1.0
83.01392	6.6
85.02936	17.9
87.00861	1.6
89.02431	2.8
95.01376	2.6
97.02966	1.7
99.00866	5.4
99.04514	13.0
101.02441	42.6
111.00868	7.3
113.02439	22.4
125.02452	8.3
129.01912	2.0
141.01967	1.5
143.03531	2.3
159.02988	4.7
161.04553	6.9
260.53632	1.2
265.99997	1.2
419.30341	8.9
422.34851	1.2
563.34668	10.3
581.35492	80.5
606.06311	1.3
606.16931	1.5
623.36609	13.7
725.39807	100.0
733.59119	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	725.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05280	1.9
53.11833	2.3
57.03455	4.1
58.03028	2.4
59.01381	39.1
71.01385	13.9
72.18127	2.3
79.90955	2.6
85.02930	25.6
87.04508	23.4
89.02444	15.8
97.06573	3.2
101.02437	14.3
101.06079	4.1
113.02383	5.2
119.03477	3.0
125.06010	2.7
157.08632	3.0
158.36940	2.9
159.10278	21.5
161.75487	3.1
171.10298	42.8
183.13916	6.0
191.25996	2.6
191.64191	2.6
211.13429	23.6
221.11905	3.1
229.14436	19.5
327.21826	100.0
415.14676	28.5
564.32129	3.1
590.99933	2.9
621.39923	11.9
681.42365	73.1
694.40625	3.2
725.24329	5.0
725.36096	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	725.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.1
59.01381	66.6
71.01374	28.3
71.48669	0.8
73.02943	0.9
74.52132	0.7
83.01378	1.2
84.99492	0.7
85.02956	6.2
87.00843	1.7
89.02437	47.6
91.61367	0.7
95.01389	1.9
101.02441	21.9
111.04486	1.1
113.02431	15.9
117.49865	0.7
119.03493	17.4
131.03540	0.8
143.03497	1.3
161.04564	1.5
173.97635	0.7
179.05580	9.1
233.16068	0.8
253.62117	1.0
284.03220	3.9
286.03137	1.0
302.50174	0.8
310.79178	0.8
327.21469	0.8
485.32474	1.0
647.37164	1.4
665.39166	100.0
725.38947	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	725.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	54.2
71.01373	30.5
73.02950	4.7
83.01367	1.2
85.02946	6.7
89.02437	33.1
95.01403	2.0
101.02434	20.9
113.02419	15.4
119.03487	8.8
161.04536	2.5
179.05588	4.6
275.16367	5.2
296.07834	1.5
331.49384	1.2
345.19211	4.6
544.19305	2.1
647.37854	16.0
665.39111	100.0
725.29108	2.0
725.41193	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	725.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.1
59.01381	66.6
71.01374	28.3
71.48669	0.8
73.02943	0.9
74.52132	0.7
83.01378	1.2
84.99492	0.7
85.02956	6.2
87.00843	1.7
89.02437	47.6
91.61367	0.7
95.01389	1.9
101.02441	21.9
111.04486	1.1
113.02431	15.9
117.49865	0.7
119.03493	17.4
131.03540	0.8
143.03497	1.3
161.04564	1.5
173.97635	0.7
179.05580	9.1
233.16068	0.8
253.62117	1.0
284.03220	3.9
286.03137	1.0
302.50174	0.8
310.79178	0.8
327.21469	0.8
485.32474	1.0
647.37164	1.4
665.39166	100.0
725.38947	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	725.413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	40.5
63.85173	0.5
71.01379	24.6
72.99288	0.5
73.02931	2.1
83.01385	0.8
85.02946	4.7
87.00873	0.8
89.02436	31.3
92.22531	0.5
95.01359	2.1
100.23837	0.5
101.02440	18.7
107.26258	0.6
113.02443	11.7
119.03500	10.3
128.85126	0.6
143.03517	0.6
149.04613	0.5
159.13295	0.5
161.04556	0.9
168.91405	0.6
179.05617	2.0
248.05646	0.6
275.16656	6.0
298.02292	0.5
350.09048	1.0
661.23358	0.6
665.39160	100.0
693.25812	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.7
58.59475	1.7
59.01385	56.6
71.01379	26.7
73.02954	1.7
75.00893	2.6
80.50690	1.5
85.02956	3.5
89.02437	25.6
95.01401	1.9
101.02427	23.9
105.14902	1.7
111.95604	1.8
113.02462	17.6
119.03486	13.2
131.03371	2.0
143.03662	1.6
173.41806	2.0
211.86087	1.8
287.22333	6.8
431.26538	9.8
449.27612	27.6
485.33310	2.2
574.15613	2.1
665.39117	100.0
670.34088	1.9
725.36041	28.9
742.36481	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	725.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32558	1.2
57.03453	1.9
59.01384	56.4
59.78797	1.0
64.23381	1.0
66.94042	1.1
71.01374	27.5
81.54019	1.2
85.02946	5.4
85.29514	1.4
89.02444	32.7
101.02442	23.7
113.02457	14.5
116.92848	13.6
119.03484	10.4
151.56070	1.4
153.09212	3.0
163.04010	2.1
166.73093	1.6
170.21045	1.5
179.05609	5.1
182.90891	1.5
227.03535	5.3
255.02991	14.1
256.03766	2.5
284.03284	88.8
285.04160	11.6
293.53244	1.6
327.21848	9.7
370.43036	1.5
401.67581	1.6
433.72427	1.4
561.12482	6.0
579.13623	7.1
581.19958	6.3
647.37964	15.5
665.39172	100.0
725.16589	38.9
725.36633	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	725.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50795	0.6
57.03442	1.5
59.01381	56.6
71.01378	21.1
72.18404	0.7
83.01385	1.0
85.02956	3.5
86.23154	0.6
89.02434	34.6
94.24509	0.7
95.01375	1.4
99.00912	0.8
101.02440	18.1
113.02436	13.7
119.03502	12.0
125.02402	1.1
145.02946	0.9
154.07288	0.9
160.01630	0.8
175.04034	1.3
178.00516	0.7
179.05615	3.5
227.03477	3.4
228.12100	0.8
239.16389	1.1
255.02980	8.6
256.03778	0.7
284.03275	44.6
285.04147	5.8
327.21799	1.6
355.39008	0.7
561.12299	1.6
579.13556	1.0
647.37866	1.1
665.39130	100.0
725.16809	16.7
725.36542	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	725.448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13190	1.2
57.03438	3.8
59.01384	69.4
60.99311	12.9
71.01381	8.0
73.02939	2.4
85.02956	2.2
87.00867	22.7
87.35079	1.9
88.00394	13.4
88.01223	2.2
88.04033	3.1
88.98799	100.0
89.02438	78.5
92.23154	2.0
101.02444	8.6
113.02443	3.1
137.10866	1.9
161.04593	3.4
311.98260	2.0
410.50339	1.7
581.27930	2.3
581.35852	3.8
665.43085	12.5
725.44171	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	725.4488
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00103	0.5
59.01371	4.8
63.43414	0.6
71.01373	2.6
83.93443	0.5
85.02946	2.6
87.00871	0.7
89.02402	0.6
99.00880	0.7
101.02424	3.2
113.02441	2.7
127.70895	0.6
146.48289	0.8
157.32939	0.7
165.12830	7.8
183.13895	50.8
204.45670	0.7
213.14919	2.6
227.12773	0.7
236.04955	0.6
237.96941	0.6
253.09270	2.4
279.23303	100.0
359.14288	0.7
378.64920	0.7
497.45306	0.7
678.54810	0.8
725.44897	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	725.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06916	2.1
54.20609	2.2
59.01393	3.5
61.98837	11.0
64.53574	2.4
74.58075	2.2
78.95902	3.3
91.65541	2.5
110.44952	2.5
116.92844	10.6
143.80737	2.9
152.99585	5.4
165.12843	4.8
183.13901	39.3
195.53925	2.6
279.23318	95.7
340.69391	2.7
359.39941	2.9
360.45618	2.9
370.50430	2.7
437.45538	3.2
681.28998	3.7
725.44794	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4486
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.7
61.43211	0.8
61.98823	1.8
62.81617	0.7
71.01386	1.0
73.02882	0.9
75.75661	0.8
88.86205	0.8
89.02431	1.6
101.02441	3.9
104.15850	0.9
113.02441	1.3
116.92826	6.9
119.74761	0.8
139.80730	0.9
145.53641	0.9
148.52872	0.9
165.12831	7.4
183.13899	91.6
199.37843	0.9
203.35065	0.9
218.65236	1.0
227.12944	1.8
253.09312	1.8
254.63167	0.9
279.20117	1.8
279.23294	81.9
725.44879	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51023	0.3
56.75161	0.3
59.01384	100.0
59.21014	0.3
71.01398	0.5
81.55907	0.3
89.02455	0.4
101.02437	0.4
117.86388	0.4
174.76825	0.3
209.11902	0.4
291.19711	1.3
309.20831	2.2
359.17960	0.3
397.13528	0.4
415.14740	0.7
532.24817	0.4
605.40643	4.0
648.56781	0.3
665.42737	11.0
725.44666	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	725.4491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11584	0.8
53.82932	0.8
57.03448	1.0
59.01382	53.5
66.58151	0.9
71.01379	6.2
71.05013	10.6
73.02940	1.8
83.78360	0.9
85.02940	2.3
99.08166	1.4
125.09753	1.6
140.72728	1.0
141.09193	1.7
143.10780	42.4
171.10289	1.6
215.27597	1.1
240.99768	1.2
262.50842	1.3
291.19608	1.7
301.95981	1.2
309.20731	6.5
397.13342	1.4
605.41016	6.9
643.92639	1.1
665.42767	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53762	0.9
52.86044	0.8
54.56557	0.8
57.02332	0.8
57.03441	1.8
59.01097	1.3
59.01379	20.4
63.65266	0.9
67.01881	0.7
67.17700	0.8
69.03434	2.1
71.01380	6.9
73.02932	11.8
74.50748	0.8
81.03461	1.7
83.01365	1.7
83.04977	1.3
85.02943	31.7
87.00865	66.8
93.03449	2.0
95.01363	11.9
97.02940	23.3
98.06487	0.8
99.04497	3.7
103.04014	5.8
104.82026	1.0
109.02929	5.7
111.00867	4.4
111.04463	1.2
113.02446	16.0
114.03194	1.0
115.00375	10.1
115.04002	2.2
125.02446	0.9
127.03991	10.7
137.02412	1.7
139.00333	6.0
145.05032	3.8
149.02498	1.3
155.03569	0.9
157.01404	5.9
171.02971	1.2
173.04524	2.1
175.02487	15.0
198.15036	0.9
199.02469	8.0
217.03517	11.3
246.95677	1.0
267.80927	1.1
303.07370	8.9
305.88916	1.0
321.08307	3.3
345.08243	2.0
387.09305	9.0
405.10483	8.6
623.14459	4.0
709.18451	14.4
727.19434	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	727.2101
Annotation	Parishin B
Peak:m/z	Relative Intensity
54.37261	0.4
59.01372	8.7
59.31597	0.4
71.01375	0.7
71.82092	0.5
73.02942	0.6
80.41943	0.5
85.02934	0.7
89.02457	0.8
101.02434	2.2
104.86128	0.5
109.02940	20.9
113.02436	0.9
121.02946	67.6
135.04529	8.4
149.06082	11.3
161.04614	0.6
165.01932	0.9
168.04227	0.6
180.04286	12.4
181.05087	0.7
186.02989	0.6
193.04967	0.8
195.06638	43.8
207.06552	0.8
235.11839	1.3
270.05328	9.6
271.06094	2.7
272.93228	0.6
277.12875	3.5
285.07718	11.5
286.04797	5.8
287.05670	9.1
301.07190	26.0
301.10428	1.2
302.07950	25.6
316.09564	11.1
317.10312	100.0
366.48904	0.6
479.15665	22.4
521.16681	62.1
727.26282	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.5
63.62841	0.3
67.01891	0.3
109.02944	20.3
119.05002	0.3
121.02947	71.5
123.04559	0.5
135.04524	9.9
147.04523	0.4
149.06081	12.5
153.01935	0.7
161.05974	0.4
163.04076	0.6
165.01964	1.8
179.03401	0.5
180.04276	14.4
181.05080	1.6
192.04326	0.6
193.05017	1.3
195.06635	44.6
203.99300	0.4
207.06735	2.7
209.06601	0.6
245.04573	0.5
269.04611	1.3
270.05380	9.7
271.06183	2.8
284.06970	0.5
285.04684	0.6
285.07736	11.1
286.04922	6.4
287.05646	8.7
301.07199	25.5
302.07990	26.3
316.09515	8.8
317.10324	100.0
360.62924	0.4
362.49542	0.4
432.64755	0.4
479.15668	16.8
521.16699	51.0
683.22278	0.5
687.94513	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	3.4
92.74269	2.4
113.63988	2.2
133.02953	3.0
134.03734	98.1
137.02411	5.6
139.04022	2.8
146.24525	3.3
149.06061	29.3
156.10103	2.2
160.01668	10.3
175.04022	21.3
178.02710	43.7
187.19485	2.4
193.03348	4.7
193.05064	100.0
315.21356	2.4
502.11508	3.0
551.19586	9.0
727.23999	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	727.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
60.24577	0.6
62.13337	0.6
65.82552	0.6
66.71185	0.6
87.64452	0.7
89.63581	0.6
100.85210	0.6
106.23939	0.7
117.03423	4.8
132.02133	1.4
133.02928	2.9
134.03735	100.0
135.04506	1.4
136.01607	0.9
137.02440	6.0
139.03996	1.0
142.98116	0.6
148.05292	1.0
149.06070	32.7
150.03209	1.6
153.05519	0.7
160.01666	13.3
161.02348	1.1
162.03148	2.6
175.04001	20.9
175.79356	0.7
177.05544	0.8
178.02711	42.8
179.03508	1.7
192.04335	1.1
193.05066	93.6
207.06746	0.7
226.85963	0.8
353.14984	0.7
371.11316	3.7
531.39783	0.8
551.19232	5.1
727.24060	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	727.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
61.58115	0.2
73.02937	0.7
75.00874	0.7
81.03449	1.9
87.00861	0.4
88.74339	0.3
96.17277	0.3
99.00861	1.5
99.04505	1.3
100.88564	0.3
118.86785	0.3
119.05007	26.1
143.03477	1.9
150.91754	0.3
161.04573	2.2
163.04002	100.0
179.04153	0.4
179.05602	8.7
181.40645	0.3
187.64235	0.4
288.62549	0.3
325.09305	45.7
331.30676	0.3
351.13007	0.4
703.08392	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	4.1
59.01379	13.9
71.01377	14.9
72.99312	1.8
73.47083	0.8
74.08662	0.8
75.00869	10.8
78.85613	0.9
84.68433	0.8
85.02952	13.2
87.00867	6.2
89.02432	6.7
95.01342	3.2
99.00896	9.8
99.04507	1.2
101.02419	2.1
103.00337	1.6
109.42078	0.9
113.02442	30.0
117.01948	1.0
129.01956	1.9
139.03986	1.3
146.06155	1.3
149.02397	1.0
165.12837	21.3
166.02747	0.9
166.62988	0.9
175.02466	1.3
183.13902	49.7
188.07140	4.2
209.11789	1.5
217.09842	4.2
227.12880	4.9
231.01819	1.1
246.07967	3.0
249.06085	6.4
249.25958	1.0
264.08752	1.2
267.07230	15.6
289.07074	1.6
479.24933	1.0
521.12933	4.8
538.18304	7.3
551.23450	1.2
570.20917	4.2
652.58514	1.0
683.30951	1.8
727.26654	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	727.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21737	0.4
57.03450	1.0
57.06500	0.4
57.10447	0.5
59.01107	0.7
59.01381	15.4
61.37917	0.4
65.91550	0.5
68.33388	0.4
69.69038	0.4
71.01376	12.4
72.99290	2.3
73.02930	1.9
75.00863	10.0
76.70522	0.4
83.01382	0.8
85.02940	14.1
85.23891	0.6
86.75539	0.4
87.00871	5.1
89.02441	9.4
94.12805	0.4
95.01385	4.8
99.00858	5.9
101.02431	4.4
103.00360	1.1
113.02438	24.6
115.00336	2.4
117.01908	2.3
119.03471	1.2
128.00168	0.5
129.01933	0.9
131.03455	0.5
153.57095	0.4
165.12828	21.5
171.97404	0.5
175.02426	2.4
183.13901	44.9
184.60143	0.5
205.07231	1.0
209.11795	2.4
221.42548	0.6
227.12903	6.5
231.05098	0.6
249.06140	9.4
267.07227	15.9
301.16501	1.9
355.08273	0.5
371.21466	0.5
415.19781	0.7
457.74432	0.5
529.44147	0.5
551.23401	1.9
667.40765	15.9
683.30969	0.9
727.26697	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54677	1.5
57.03447	3.8
57.97556	2.9
59.01379	28.5
67.69756	2.0
79.40402	1.7
79.58222	1.7
89.95602	1.7
99.04520	4.0
138.70398	1.9
147.34618	2.4
288.80127	2.1
302.06638	2.4
368.12976	2.7
450.62454	2.2
481.18826	11.9
492.28369	2.2
506.17166	7.7
507.17679	43.8
520.18219	3.0
521.19513	13.3
522.20239	2.1
539.19617	20.2
540.19958	2.7
549.21332	3.4
551.19122	25.9
581.21826	27.5
593.20490	4.7
608.23932	12.9
609.24908	19.3
610.20972	2.6
625.23273	22.4
667.25580	30.6
706.59241	2.3
727.27600	100.0
727.40759	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	727.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85801	0.2
53.18030	0.3
53.90682	0.2
58.74751	0.2
59.01383	0.6
59.45478	0.3
71.01366	0.4
73.02944	0.5
75.00857	2.9
75.74345	0.3
79.84212	0.3
81.03455	1.5
85.02956	0.4
85.75560	0.3
87.00864	2.6
89.02437	0.5
91.04742	0.3
99.04542	1.3
111.00875	0.4
113.02438	0.6
119.05016	26.5
130.91315	0.3
143.03525	0.4
145.02931	0.4
161.03317	0.5
161.04553	8.5
163.04008	100.0
177.05569	0.4
179.05615	2.1
261.08804	0.6
287.09155	1.1
293.12503	0.5
325.09320	40.8
341.08954	0.3
368.09018	0.3
504.87500	0.4
727.20605	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.0
59.01371	2.2
79.27808	1.1
89.02452	2.1
91.79030	1.0
101.02418	1.9
113.02435	1.4
235.16937	2.0
247.72980	1.4
275.20160	2.7
293.21167	6.0
309.20627	2.1
360.83850	1.2
397.13412	11.1
403.19794	1.3
415.14575	2.3
602.58154	1.3
691.35168	4.5
702.81561	1.5
727.33044	100.0
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
51.25097	1.1
54.11265	1.2
59.01364	6.0
66.13018	1.3
71.01385	2.1
72.99301	1.4
73.02894	1.3
89.24855	1.5
96.92887	1.5
96.96022	1.7
101.02444	1.5
113.02392	2.1
122.96901	1.3
128.64203	1.4
195.13876	1.9
293.21252	16.8
397.13309	2.3
415.14383	7.6
455.19315	1.6
532.19098	1.5
691.35559	15.0
727.33118	100.0
758.34851	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	727.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72527	0.4
54.26963	0.4
59.01362	0.6
78.95895	1.3
79.95736	0.7
85.53630	0.4
94.98087	2.8
96.96006	100.0
96.96991	3.2
96.97656	1.9
100.22544	0.6
150.06789	0.6
190.85245	0.5
264.18704	0.5
615.03314	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84801	0.4
59.01382	100.0
65.32021	0.5
69.13585	0.4
71.01379	11.5
73.02944	4.8
75.00868	0.4
75.17963	0.4
77.18797	0.4
82.76820	0.4
83.01390	1.0
85.02937	4.7
86.67041	0.4
89.02436	8.0
95.01395	0.6
99.00874	1.7
101.02433	14.8
113.02445	7.9
119.03505	2.9
122.91334	0.4
125.02539	0.4
126.58681	0.4
143.03542	0.5
158.43265	0.5
161.04581	6.3
172.78308	0.4
179.05637	0.8
199.03685	0.5
267.28302	0.4
277.16565	13.2
319.17639	27.9
329.23349	1.0
415.15085	0.6
583.33710	0.6
667.40717	10.1
727.43262	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	727.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70245	2.2
57.03455	83.4
59.01386	73.6
61.98814	3.5
64.22115	2.5
71.01382	14.2
73.02951	5.9
78.19128	3.3
83.01385	4.6
85.02926	3.9
99.04519	97.0
101.02449	42.6
110.58995	3.2
113.02442	13.9
115.07996	2.7
116.92866	6.0
121.02946	20.5
125.02455	64.7
143.03517	5.4
161.04556	6.9
307.17661	15.2
387.25375	3.7
410.84937	3.6
437.18311	7.2
455.19275	55.5
497.20361	100.0
518.48895	3.5
537.23547	16.1
727.35797	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	727.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04511	0.6
53.31980	0.5
59.01383	14.9
61.78702	0.5
66.17438	0.7
71.01382	5.7
85.02942	1.3
89.02435	9.9
99.08173	4.7
101.02420	6.4
113.02422	3.0
119.03493	1.6
125.02396	1.0
125.09697	0.7
127.11259	0.9
129.24542	0.6
138.62491	0.6
160.47116	0.7
167.14348	0.9
171.10231	3.3
183.13904	6.2
193.12360	1.6
209.11845	1.1
211.13406	52.6
229.14450	37.4
235.08319	1.0
293.21201	2.6
311.22223	1.0
327.21619	0.9
329.23370	100.0
415.14597	30.3
667.40704	1.0
727.37653	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	727.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95434	0.5
59.01373	0.6
65.44319	0.6
67.10333	0.6
102.69192	0.8
103.10959	0.8
120.96716	0.6
126.69805	0.6
141.14020	0.7
151.31850	0.8
175.57146	0.7
217.84552	0.9
255.15263	0.7
309.57950	0.7
330.29837	0.8
397.13950	0.7
410.18097	0.8
467.83286	1.0
519.49854	0.8
727.38580	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.7
65.50024	0.5
78.04640	0.5
94.67952	0.5
99.32559	0.5
423.16309	0.6
691.39990	2.3
727.38409	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.413
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00696	2.9
59.01382	36.5
61.41382	3.2
71.01371	19.0
79.91485	3.9
89.02426	32.4
92.23142	6.0
101.02445	23.7
113.02452	6.9
113.11887	3.1
116.92828	3.8
119.03475	7.6
125.02477	5.4
182.13461	3.6
213.64003	3.4
217.97865	3.7
235.08301	6.0
238.74025	5.3
269.24908	100.0
397.13467	77.4
415.14639	16.4
667.39288	52.4
722.02057	4.1
727.27393	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	727.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77360	1.0
59.01381	100.0
61.28538	1.0
61.88589	1.5
64.61930	1.1
71.01374	22.3
72.49921	1.2
77.53408	1.2
78.95896	13.4
82.55863	1.1
85.02934	2.7
87.00827	1.2
87.28029	1.1
87.59212	1.2
87.92240	1.2
89.01942	2.0
89.02448	37.0
92.23228	1.5
92.85743	1.4
93.25699	1.3
96.96998	1.5
101.02426	16.6
113.02441	9.6
119.03481	11.7
139.11360	2.4
143.03542	2.0
161.04677	1.4
167.65654	1.2
171.10274	13.9
179.05598	10.9
183.34755	1.3
199.08708	1.3
199.13425	2.2
211.13374	8.4
219.67563	1.3
229.14485	7.5
234.18051	1.4
270.95959	1.4
301.90845	1.3
311.22260	1.5
329.23367	42.5
342.33530	1.2
409.56741	1.4
415.14594	7.7
607.29523	1.8
667.29541	2.4
667.40778	64.5
727.43921	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	727.465
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06369	0.4
62.50971	0.5
72.25039	0.5
74.57756	0.5
76.44659	0.4
83.05019	2.7
85.59401	0.4
93.44587	0.5
94.17015	0.5
95.04981	0.6
104.31783	0.5
104.93454	0.5
109.06584	1.0
109.91602	0.5
116.90744	0.5
122.64210	0.5
127.07652	5.2
139.07591	0.9
155.10796	0.7
163.11267	2.7
163.99948	0.6
165.12831	2.3
175.19087	0.6
178.10030	0.6
181.12401	0.6
185.11848	7.5
191.10651	0.7
191.72469	0.5
197.11861	9.8
209.11848	100.0
211.13319	1.0
211.46970	0.6
227.12863	5.3
238.12119	2.3
239.90678	0.6
253.17889	0.7
256.13184	2.6
265.18188	0.6
276.64975	0.6
289.18088	2.6
307.19183	13.6
325.20245	72.1
329.23663	0.9
392.44443	0.6
578.34100	0.6
715.70636	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70279	0.4
52.33076	0.4
56.48251	0.4
59.01377	2.0
71.01368	1.1
71.02929	0.4
75.99413	0.4
85.02958	0.7
89.02426	2.6
94.80106	0.5
101.02456	2.1
103.97382	0.6
113.02412	0.7
151.32890	0.5
161.04561	1.0
165.12849	7.2
179.05571	0.7
183.13905	47.9
209.11751	0.6
227.12895	0.8
235.08200	0.5
253.09331	2.3
281.24890	100.0
351.29550	0.5
471.49142	0.6
559.06763	0.5
650.64594	0.5
666.13129	0.5
727.46509	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	729.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40000	0.7
55.84707	0.8
57.03455	1.3
59.01368	1.9
59.80382	0.8
62.66069	0.7
68.38651	0.8
69.20123	0.7
70.46926	1.0
70.66584	0.8
71.01366	1.1
72.99313	0.9
79.18581	0.8
83.01376	1.0
85.02925	8.9
87.00871	4.9
89.02344	0.8
92.23093	1.5
100.56471	0.9
109.02944	2.2
119.05005	32.5
121.02928	15.8
122.03292	1.7
123.04569	1.1
126.23850	0.9
129.01953	13.1
135.04504	1.1
149.06076	1.8
159.02934	4.3
163.04007	82.3
167.03452	5.9
173.04515	1.3
180.04291	1.0
191.05605	9.3
193.05054	0.9
195.06650	6.3
196.06998	3.9
209.06677	100.0
228.69870	1.1
228.72031	1.0
255.63782	1.0
285.07727	1.0
286.08051	1.1
288.05856	1.2
301.07230	3.8
302.07712	4.6
303.08206	4.2
317.10196	12.9
318.10724	8.6
319.10971	8.5
355.10379	83.9
373.11319	1.6
445.48956	1.1
476.55984	1.3
481.16364	2.3
508.90408	1.0
521.17371	1.0
522.16962	2.0
523.17218	7.2
541.24261	0.9
591.69385	1.2
739.10754	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98948	1.4
57.42765	1.1
59.01379	100.0
69.83321	1.2
71.01378	13.5
73.02934	3.3
80.18285	1.2
85.02946	5.6
89.02430	10.2
99.00847	2.4
101.02450	21.0
107.93948	1.3
108.42825	1.3
113.02437	10.1
143.03429	2.2
161.04549	13.5
165.05621	1.4
176.65323	1.3
196.95509	1.4
239.86490	1.4
249.13443	26.3
268.03647	2.1
291.14526	36.0
335.17053	3.1
349.18723	2.4
354.35648	1.6
393.17636	9.0
467.66171	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	729.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.2
59.01371	8.1
59.59272	1.1
71.01366	5.0
73.02929	1.3
85.02910	1.1
89.02447	1.3
99.13438	1.2
101.02402	2.3
108.02171	20.2
109.02949	10.3
120.43931	1.2
132.63080	1.3
139.07658	1.2
152.01152	100.0
153.01888	5.8
160.32045	1.2
163.04054	2.4
190.65259	1.3
211.13354	8.3
214.21133	1.3
229.14465	4.9
241.07249	1.6
272.47830	1.3
282.60043	1.4
329.23331	6.2
381.09225	1.4
399.09268	14.3
417.10156	1.9
669.42609	9.1
729.33350	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	729.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76115	0.4
51.94358	0.4
54.60548	0.6
56.09201	0.4
58.06686	0.5
59.01374	0.7
63.07297	0.5
63.61535	0.5
74.54037	0.4
78.95897	0.8
79.95743	2.6
85.65112	0.5
93.20676	0.6
94.98062	4.3
96.96001	100.0
96.96985	2.7
102.51373	0.5
117.12267	0.5
137.75912	0.5
139.20160	0.6
329.58383	0.5
373.79785	0.6
383.92389	0.6
397.74878	0.6
579.15033	0.6
729.39099	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	729.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73117	0.5
63.57276	0.6
75.49234	0.6
80.41106	0.5
83.19036	0.5
85.16402	0.6
85.82214	0.6
94.55157	0.5
101.89363	0.6
102.36809	0.5
198.42253	0.6
308.21466	0.7
335.99301	0.7
407.33621	0.6
729.39966	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.0
62.41289	0.5
63.75351	0.5
71.01373	0.5
74.15495	0.5
96.92537	0.6
97.13467	0.5
101.61119	0.5
106.72491	0.5
115.51300	0.5
118.06922	0.6
193.05090	0.9
416.34610	0.6
534.19305	0.7
693.41858	3.5
729.39948	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	6.2
61.98845	1.0
67.56863	1.3
71.01374	6.1
72.99315	1.6
75.00861	6.2
77.60926	1.1
83.02544	1.2
84.98843	1.1
85.02936	6.6
87.00894	1.9
89.02390	1.3
95.01376	2.4
99.00867	5.5
113.02406	5.9
115.00418	1.2
131.30424	1.1
139.23466	1.3
152.71927	1.1
165.12799	5.9
183.12259	1.4
183.13889	40.9
249.06194	1.7
269.24863	71.4
729.44366	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.4442
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86490	1.8
56.71400	2.1
59.01382	3.2
61.98826	2.7
66.55727	2.0
71.01355	2.4
75.00853	8.1
77.49267	1.7
85.02957	9.5
87.00896	2.2
90.43179	2.1
99.00862	2.7
113.02449	7.6
115.00345	2.1
157.33289	1.6
165.12920	3.5
183.13911	47.0
232.00639	1.9
269.22214	2.9
269.24899	71.5
337.68738	2.1
729.44391	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.4438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.63754	0.8
68.23215	0.8
69.50694	0.8
70.98736	0.9
71.01376	13.1
71.89461	0.9
73.02939	5.8
74.59334	0.9
81.37110	0.9
83.01403	1.3
85.02950	9.2
89.02427	4.8
92.22865	1.5
94.20634	0.9
99.00862	1.8
101.02433	11.9
113.02467	10.0
119.03476	1.1
159.03035	1.3
161.04543	4.2
211.84636	1.0
215.71921	0.9
298.61533	1.0
487.33737	1.3
489.35941	1.8
507.37033	9.5
669.32935	1.4
669.42297	74.5
729.44427	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	729.4437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29177	0.2
55.01883	0.4
57.03455	0.9
59.01384	100.0
66.29427	0.2
71.01378	16.1
71.65497	0.2
71.65911	0.2
72.99310	0.3
73.02948	5.7
75.00867	0.3
83.01391	2.3
85.02945	8.3
87.00870	0.4
87.04518	0.8
87.59670	0.2
89.02444	5.3
91.59031	0.2
92.23148	0.4
95.01374	1.6
97.02934	0.3
99.00895	2.5
101.01770	0.5
101.02441	14.4
113.02446	10.2
119.03501	2.0
121.19218	0.2
129.01895	0.4
131.03473	0.2
143.03499	0.9
159.02975	1.6
161.04570	2.6
209.46196	0.2
356.65161	0.2
365.27216	0.2
369.28061	1.2
413.30701	1.2
431.31870	1.7
473.32959	0.5
487.34323	1.4
489.36002	2.3
491.33743	0.9
505.35397	2.2
507.36920	10.2
669.42310	69.1
713.41882	1.5
729.44446	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	729.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94140	1.7
59.41065	1.7
63.86831	1.8
70.93244	1.9
79.32569	2.3
87.04526	4.7
107.92773	2.0
123.53188	2.0
123.75074	2.1
140.75459	2.4
163.83040	2.2
171.10246	22.6
201.11293	4.4
211.13313	4.1
221.15515	17.2
229.14371	2.7
239.16544	15.4
247.84406	2.2
266.35034	2.7
291.19730	4.5
305.13983	2.4
327.21799	100.0
329.23383	5.0
519.94299	2.9
660.47510	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	729.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94140	1.7
59.41065	1.7
63.86831	1.8
70.93244	1.9
79.32569	2.3
87.04526	4.7
107.92773	2.0
123.53188	2.0
123.75074	2.1
140.75459	2.4
163.83040	2.2
171.10246	22.6
201.11293	4.4
211.13313	4.1
221.15515	17.2
229.14371	2.7
239.16544	15.4
247.84406	2.2
266.35034	2.7
291.19730	4.5
305.13983	2.4
327.21799	100.0
329.23383	5.0
519.94299	2.9
660.47510	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	729.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25649	0.8
59.01363	2.5
71.01372	1.5
72.69975	0.9
79.63213	0.9
95.59745	1.0
101.02446	2.1
105.74165	1.0
113.02506	1.1
141.59425	0.9
165.12854	8.3
183.13914	49.9
253.09306	1.7
283.26453	100.0
327.99060	1.0
351.85675	1.0
446.03391	1.2
540.53949	1.1
570.79779	1.1
725.15454	1.3
729.48071	84.5
733.82538	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	10.5
60.01707	1.3
61.01806	0.5
61.98832	100.0
65.86484	0.3
71.01387	1.9
76.48840	0.3
85.02915	0.3
89.02429	2.8
90.02784	0.6
92.50582	0.4
95.68935	0.3
99.00941	0.4
101.02436	0.6
113.02474	0.7
119.03490	0.6
150.41301	0.3
176.57903	0.3
179.05586	0.5
233.87752	0.3
487.12427	0.3
610.57477	0.4
669.41229	0.6
670.41791	6.2
730.43158	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	730.5482
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	1.1
59.01382	50.1
61.98832	1.0
70.81532	0.9
71.01016	1.1
71.01381	23.2
72.04536	1.8
72.99319	1.4
73.02936	1.2
85.02935	2.3
89.02435	33.1
95.01433	1.4
101.02449	15.6
108.10424	1.1
113.02453	12.4
119.03497	9.2
161.04471	1.1
179.05624	6.1
218.14853	1.1
225.22241	23.7
253.21729	5.3
255.23329	1.2
271.22824	6.5
293.95728	1.3
296.25986	1.3
314.27161	1.3
326.27075	22.1
488.44766	1.5
550.48633	2.5
568.49786	1.6
641.60883	1.1
653.19983	1.1
714.97729	1.1
730.54852	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.5481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62305	1.0
59.01101	1.9
59.01382	45.8
71.01385	17.0
72.04542	2.2
72.99320	1.2
74.38605	0.9
85.02948	2.2
86.61364	1.0
89.02440	27.8
95.01392	1.4
101.02444	14.4
113.02470	10.4
119.03487	10.0
124.77567	1.0
161.04660	1.1
179.05669	7.8
225.22241	21.8
247.49609	1.0
253.21605	3.7
271.22876	5.6
296.26044	1.6
326.27026	17.4
438.48581	1.4
550.49097	2.0
730.54883	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07681	0.7
59.01400	0.7
59.01744	0.5
70.74956	0.6
71.01385	1.4
77.07831	0.7
85.02975	0.7
93.03452	21.7
101.02436	0.7
110.35095	0.8
114.31937	0.6
120.38513	0.7
137.02449	100.0
150.03273	0.9
153.01936	1.0
153.05553	0.9
160.57256	0.7
168.04282	18.1
183.06636	76.3
205.07307	0.8
299.07751	27.4
358.99930	0.8
387.13068	0.9
431.12112	0.8
541.39819	0.7
708.99640	0.8
709.11188	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93867	0.7
57.03439	1.2
57.70497	0.9
59.01389	1.8
65.10763	0.9
75.00866	4.8
79.95732	2.0
83.25518	0.9
94.98081	37.6
101.02417	1.0
103.00373	4.8
118.82878	1.1
134.06099	1.2
165.12860	1.3
171.10258	6.6
173.10191	1.1
183.13872	4.0
205.23253	0.9
225.10297	1.9
235.09125	1.1
251.08340	1.6
251.16408	1.3
252.09059	6.0
253.09856	7.6
259.92191	1.0
280.08685	1.0
281.09323	6.5
282.99640	1.3
283.02325	9.8
284.08023	3.9
291.19739	4.7
298.04886	10.7
299.05728	1.2
309.20709	12.9
345.11124	2.1
347.12949	1.2
356.10291	5.0
359.13010	2.4
360.13596	34.3
369.10788	1.4
372.09937	4.7
373.10675	45.5
374.11383	5.4
374.15399	20.2
375.16019	6.3
384.13477	8.7
385.10156	1.8
386.15427	1.8
387.12216	6.7
392.12439	5.2
402.14645	89.1
404.12503	2.2
405.09412	1.2
419.15155	1.9
430.14020	2.4
434.12936	7.1
444.15988	2.2
506.15955	11.9
538.18372	100.0
595.22314	1.5
611.25763	1.1
617.14703	1.1
667.20532	10.4
699.23145	52.2
731.23730	2.4
731.39880	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	731.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.4
57.45487	0.6
59.01380	7.1
66.04887	0.6
71.01370	1.5
73.02960	1.0
75.00876	3.6
78.97263	0.7
85.02917	1.0
94.98097	0.9
96.96010	32.1
96.96925	2.0
101.02415	1.2
103.00377	3.9
106.43264	0.6
107.95688	0.8
113.02412	0.8
125.02425	1.2
134.06111	2.9
203.33894	0.6
225.10478	1.0
243.72197	0.7
251.08231	3.0
252.09052	6.1
253.09830	8.7
280.08499	1.3
281.09311	1.4
283.02426	3.1
284.08038	4.2
298.04828	5.0
331.09610	1.4
345.11108	4.3
346.12231	1.6
355.09543	1.4
356.10181	8.3
359.12961	1.2
360.13593	30.2
372.09601	1.4
373.10693	44.1
373.15338	1.6
374.11310	6.6
374.15161	18.7
375.15756	7.5
384.13651	7.6
386.15125	3.4
387.12265	4.4
392.12250	5.3
401.10495	1.0
402.14648	81.1
403.15936	1.0
404.12354	1.4
412.13284	1.6
419.15045	3.3
434.12796	5.9
434.91650	0.9
444.15881	1.4
506.15805	13.3
538.18390	100.0
543.08069	1.0
595.21979	1.3
611.36346	1.0
667.20929	7.0
671.38068	1.6
699.23151	50.5
731.23621	1.4
731.38562	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	731.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42189	0.4
53.17634	0.5
57.97562	0.6
59.01384	50.3
61.44683	0.5
62.27359	0.5
76.06152	0.5
77.36531	0.6
78.09921	0.6
79.91992	0.5
85.45262	0.5
116.92840	1.1
213.73196	0.6
224.48030	0.5
288.67181	0.6
387.79956	0.6
481.15271	0.8
496.13956	3.5
510.15652	2.9
511.16113	1.4
521.14862	2.8
539.15820	9.8
553.17487	11.7
569.17261	0.7
597.19818	7.6
598.20587	5.8
625.19037	1.3
671.23657	7.8
731.25848	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14251	0.7
57.22274	0.7
59.01382	47.6
60.11692	0.9
68.39776	0.9
72.46128	0.7
92.22514	1.7
107.40766	0.8
116.92839	1.4
119.82322	0.9
208.89154	0.9
278.27765	0.9
346.54343	1.1
385.24936	1.0
413.00479	1.0
418.60922	1.1
496.13782	3.8
510.15274	1.2
511.16458	1.3
539.15808	11.3
553.17395	12.2
583.19000	1.1
597.20319	6.7
598.20703	1.9
600.49872	0.9
625.19690	1.1
642.39221	1.1
671.24127	6.4
731.25842	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17167	2.1
59.28427	2.5
60.76284	2.3
63.08217	2.6
64.24503	2.6
64.94823	2.5
70.82870	2.4
91.74100	2.8
92.23034	4.7
116.92856	3.6
123.83839	3.0
134.06067	4.0
163.66583	2.9
227.10785	5.8
342.12595	3.3
348.24203	2.8
432.15518	3.5
489.19257	3.7
520.21362	3.6
521.21936	16.6
533.18256	14.5
534.22766	3.5
537.66455	3.2
548.20367	14.7
593.23981	62.9
594.24951	14.5
606.21240	40.2
621.23505	14.3
649.23145	58.0
681.25702	100.0
699.26971	41.3
713.28412	84.2
731.29266	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	731.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33806	0.7
57.02794	0.8
57.03447	1.6
59.01393	6.2
71.01376	1.8
73.02945	4.6
75.28053	0.7
93.40939	0.8
96.96008	1.5
97.06602	0.9
99.04530	1.1
111.08153	1.0
113.02399	1.1
121.02917	1.3
134.31729	0.9
136.05356	1.0
146.21237	0.8
149.02507	1.1
150.03174	3.4
159.04510	1.4
160.05316	16.0
161.06113	1.7
163.03944	1.4
164.04784	4.9
165.12816	11.9
173.06044	1.8
175.07658	29.7
177.05539	3.9
178.06345	16.2
183.13908	35.2
183.15404	1.2
192.07967	10.1
193.08655	4.5
203.14436	1.2
205.16010	1.1
207.13896	4.0
209.11900	1.1
211.13364	1.6
221.15445	3.8
223.38654	0.9
227.12923	6.0
229.14523	1.0
231.13812	2.7
233.11841	6.8
249.14801	1.2
251.12892	4.7
265.14410	5.3
293.14063	7.2
315.12399	4.1
329.13992	57.9
329.23294	8.8
359.14871	1.0
371.17062	5.7
477.13739	1.0
552.88348	1.0
731.32953	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.6
58.84761	1.2
59.01381	76.3
71.01375	26.5
73.02937	32.7
83.01389	7.0
85.02943	8.2
89.02450	14.4
97.06612	1.7
99.04525	1.4
101.02436	27.7
113.02439	22.4
119.03484	5.5
125.81683	1.4
130.98955	1.3
131.03500	2.5
155.62967	1.7
161.04521	2.8
168.16556	1.5
186.72836	1.6
421.27661	2.1
447.28964	3.5
568.30365	2.0
601.33521	2.8
609.34351	18.4
627.35614	17.6
628.32764	2.0
643.34961	7.1
645.36505	1.9
669.36530	100.0
687.37616	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	731.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
57.03448	2.2
59.01382	100.0
61.30941	1.1
61.71879	1.0
71.01381	41.1
73.02547	2.2
73.02941	45.4
83.01392	11.4
83.62540	1.2
85.02943	10.8
87.00893	1.6
88.36099	1.2
89.02440	23.2
92.22493	1.9
95.01363	5.4
99.00896	2.7
101.02446	41.8
113.02444	34.9
119.03460	8.8
125.02397	1.6
134.03725	1.3
136.05235	1.3
143.03482	4.4
149.04491	2.9
161.04572	14.2
179.05627	2.6
193.04970	1.9
221.06618	2.7
250.64552	1.5
465.29980	6.5
597.33679	2.2
627.35449	51.6
645.36603	27.2
676.40527	1.6
687.37616	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	731.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08897	1.4
55.21272	2.0
59.01384	100.0
71.01386	1.8
74.43002	1.8
75.74285	1.6
75.98220	1.7
85.44830	2.0
101.02462	3.0
137.71756	1.9
156.24255	2.1
230.39740	2.0
381.06708	1.9
399.02725	2.0
407.54062	2.2
464.93323	1.8
489.84064	2.0
611.36041	18.5
628.31885	2.6
629.36908	3.6
671.38074	45.3
731.39978	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	731.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57587	0.8
57.03463	0.8
59.01380	6.3
71.01359	7.0
71.20720	0.8
72.99289	1.6
75.00874	7.4
85.02936	9.4
87.00845	1.9
90.32481	0.9
93.95148	0.8
95.01363	2.3
99.00877	16.2
113.02410	6.7
115.00328	1.2
117.01894	1.5
125.09688	4.6
163.11267	6.2
181.12335	13.8
190.72949	0.8
194.08669	1.0
199.13391	2.1
207.10304	11.3
225.11295	20.0
243.12317	6.6
249.06042	2.1
255.23306	39.2
293.26944	1.0
565.35614	1.2
731.42316	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.4959
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.3
57.75697	0.2
64.79969	0.3
66.12656	0.2
69.05670	0.2
99.08168	2.8
125.09673	0.4
127.11259	1.5
129.09146	0.4
139.11307	1.5
155.14426	0.3
167.14404	0.5
171.10275	5.5
175.57568	0.3
183.13910	3.7
193.12425	1.1
195.81920	0.2
199.13422	0.5
209.10114	0.2
209.11768	1.8
211.13423	31.0
229.14464	25.9
278.08841	0.3
293.21292	1.7
311.22479	1.8
329.23383	100.0
715.42133	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.4951
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74440	0.3
57.03452	0.5
58.50874	0.3
59.01373	1.5
68.21187	0.3
71.01379	0.3
73.77785	0.3
85.02952	2.5
90.78879	0.3
97.06576	3.2
99.04502	0.4
104.75342	0.3
113.02451	0.5
117.51552	0.3
125.09715	0.4
127.11263	0.6
145.82927	0.3
146.08231	0.3
155.10712	0.3
165.12788	0.5
167.14351	0.6
171.10255	6.8
177.12833	0.7
181.12366	0.4
183.13910	3.4
185.11827	1.6
193.12312	1.4
197.11815	0.5
199.13368	0.4
203.10783	0.4
209.11833	1.7
211.13394	29.7
221.11833	5.3
229.14441	21.3
239.12852	4.2
247.20805	0.3
291.19714	3.3
309.20831	1.2
311.90515	0.3
327.21786	100.0
328.22073	0.4
425.31079	0.3
465.62091	0.3
731.32397	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55447	0.9
59.01383	24.7
65.73335	0.8
71.01408	0.9
71.51657	0.8
80.96516	1.9
96.94979	0.9
109.28301	1.0
116.92833	2.2
170.06549	1.0
225.00943	1.1
483.16858	14.3
498.15643	1.5
510.15353	1.4
511.16205	4.1
512.17053	1.6
521.18561	1.7
526.15179	1.1
527.15729	53.2
528.16107	2.3
542.17969	4.7
557.20129	1.2
570.17993	2.1
586.17023	15.2
599.17944	4.8
601.19739	2.0
673.21790	10.0
733.23816	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.6
75.25328	0.9
83.15992	1.0
98.45825	1.0
107.76119	0.9
138.46999	1.2
145.72447	1.1
281.41064	1.1
442.16638	1.9
455.17404	17.0
457.18927	6.5
470.16379	1.5
473.18350	22.3
474.15616	4.8
485.18329	4.6
496.13730	16.1
497.14856	2.3
510.15247	4.3
511.15695	7.1
512.13495	44.7
513.14459	2.2
522.95825	1.1
526.15045	34.8
527.15857	12.8
528.16553	1.7
583.18353	10.4
597.20227	1.2
599.20258	9.8
613.19043	1.5
614.20276	100.0
615.21381	10.4
629.22534	1.7
645.21857	7.4
646.19116	5.1
665.91595	1.3
673.21399	6.0
733.23840	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	733.237
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24718	1.8
59.01380	4.3
64.09489	2.0
66.02888	1.6
74.64662	1.8
75.92076	1.8
102.85837	2.0
125.24849	2.0
125.34876	1.9
204.37776	2.1
245.61209	2.3
279.54526	1.9
288.90955	2.1
303.23148	2.0
455.17288	2.9
473.18216	2.5
479.17206	3.1
483.20337	11.4
493.18866	3.5
495.32251	2.0
507.17148	2.9
510.15198	16.7
511.16589	9.2
512.13232	4.6
523.16461	7.5
525.17407	4.1
526.14935	30.8
527.15900	9.7
538.18884	3.4
550.15094	8.8
569.16968	19.3
599.17999	10.5
600.18768	10.2
615.21039	16.8
641.19055	8.4
651.17377	2.1
658.38544	2.6
673.21826	35.5
733.23846	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	91.5
61.98844	6.0
65.67572	3.5
65.97028	3.9
69.60426	3.9
83.18253	3.9
123.31179	4.3
183.36551	4.1
292.55826	3.9
350.21686	3.9
366.88513	4.0
461.97366	4.5
555.19055	6.3
600.22058	6.7
615.24432	7.2
632.21667	5.2
733.27582	100.0
733.40393	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	733.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52073	1.2
57.75838	1.3
59.01379	75.5
60.66943	1.2
61.80693	1.2
90.02666	1.3
107.29776	1.3
136.12442	1.2
233.26439	1.5
441.19833	2.0
482.16000	1.5
498.15552	6.1
512.17145	8.5
599.21704	1.5
600.22467	29.6
733.27435	100.0
754.62927	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	733.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38780	0.6
59.01381	60.5
65.19001	0.8
113.58311	0.8
131.59886	0.8
160.39400	0.8
208.50447	1.0
295.50995	0.9
453.19684	1.2
455.21033	1.1
465.19400	1.8
481.18988	8.3
483.24161	3.3
485.18439	2.0
486.24075	0.9
498.15631	3.4
509.18399	11.8
510.18777	1.0
512.16840	12.0
513.21399	3.8
524.20642	1.1
525.16553	1.5
527.23199	1.0
539.15802	1.9
540.16614	1.6
555.18762	3.2
556.16077	13.8
572.18616	1.3
582.21198	9.1
583.22430	6.5
584.19299	3.4
585.21259	4.3
587.25433	10.9
598.20764	17.8
599.21600	1.2
600.22296	9.3
613.22809	6.8
614.19830	3.3
617.25958	6.6
641.22443	23.7
643.21948	1.1
658.22913	36.1
673.25348	22.6
733.27332	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24215	1.2
57.03444	2.2
59.01384	100.0
71.01382	24.4
73.02940	26.8
75.10181	1.5
77.94636	1.5
82.21208	1.6
83.01392	3.8
85.02957	8.1
89.02437	14.5
95.01383	1.9
95.67882	1.4
101.02449	26.1
110.18610	1.5
111.41627	1.6
113.02450	24.3
119.03499	7.4
134.04619	1.7
161.04584	6.5
193.05168	1.9
223.09877	1.7
561.61987	1.7
575.73914	1.6
629.37128	23.8
647.38245	16.5
689.39178	58.0
691.39709	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	733.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55222	2.4
57.03439	2.7
58.11113	3.0
59.01382	100.0
63.11832	2.8
63.32221	3.0
71.01390	36.8
73.02945	20.7
83.01375	2.7
85.02954	7.8
89.02423	22.0
95.01411	3.5
101.02429	25.5
113.02413	23.9
113.06059	3.7
119.03489	7.0
128.22662	3.2
134.82651	3.1
161.04646	4.2
202.48070	3.1
255.24219	3.1
365.93906	3.8
401.97086	3.6
496.01599	3.4
611.36078	6.9
629.36865	38.3
647.37964	13.7
671.37915	25.8
689.38965	68.5
710.32788	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	733.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.18312	1.9
64.56944	2.1
68.01363	2.1
71.01376	41.0
73.02934	31.2
77.56139	2.1
83.01395	4.3
85.02945	13.2
89.02434	23.1
95.01387	2.9
96.96004	69.2
101.02441	35.6
102.57694	2.2
113.02441	24.8
119.03484	5.4
133.29869	2.2
161.04541	3.0
187.09637	2.7
211.13385	10.0
217.46738	2.5
229.14561	5.0
232.86975	2.5
248.90099	2.2
262.77621	2.5
285.06064	4.0
296.03711	2.2
311.20172	13.1
329.23477	22.8
403.16013	3.3
419.29800	3.8
581.35101	3.4
629.37000	74.0
647.37915	32.6
689.39032	83.2
733.40240	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	733.382
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.8
59.01382	100.0
62.53761	0.7
66.04565	0.8
69.03442	1.5
71.01377	29.4
73.02940	68.2
75.00885	0.9
83.01386	11.6
84.41914	1.0
85.02951	4.6
85.36465	0.9
87.00838	1.1
89.02435	11.3
95.01365	1.0
99.04520	2.2
101.02438	45.2
113.02442	16.1
119.03480	4.3
125.02428	1.8
131.03477	5.6
143.03508	1.9
149.04576	7.4
155.03529	1.2
161.04556	15.4
171.20894	0.9
206.19237	0.9
221.06668	4.7
327.21704	1.5
339.29346	1.2
467.31754	1.6
629.36621	4.1
632.62799	1.1
673.40552	4.8
689.39063	7.8
733.32764	1.4
733.44165	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	733.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74085	1.2
59.01383	100.0
65.29976	1.3
71.01373	31.6
73.02942	30.5
80.71098	1.2
83.01379	7.3
85.02949	13.0
87.00892	1.6
88.37860	1.4
89.02426	25.2
95.01395	6.2
101.02443	36.2
108.43716	1.4
113.02434	30.0
119.03513	11.1
125.02451	1.8
131.03474	2.0
142.12936	1.4
161.04568	8.0
167.17987	1.2
179.05580	2.5
445.38278	1.5
449.30399	6.9
611.36133	11.3
629.26642	1.8
629.37061	57.1
647.38074	7.9
671.38300	21.1
689.39093	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	733.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	0.6
59.01384	100.0
71.01377	26.7
73.02943	26.3
74.13437	0.6
83.01395	5.5
85.02943	8.6
87.00872	0.6
89.02435	14.6
95.01379	2.5
101.02438	28.0
113.02440	27.4
119.03490	5.0
131.03514	0.8
143.03468	2.8
149.04547	3.9
161.04553	11.0
179.05591	4.1
221.06639	1.4
298.82904	0.6
479.98981	0.7
489.87241	0.7
529.34564	0.7
529.65790	0.6
613.37805	1.3
673.39728	30.1
691.40698	21.7
727.97052	0.8
733.41833	30.1
744.64203	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.3
59.01382	100.0
69.03465	1.5
71.01378	36.4
72.99297	0.9
73.02942	30.7
75.00866	0.9
83.01380	7.3
85.02948	12.7
87.00853	1.0
89.02436	25.2
92.23065	0.8
95.01380	4.2
96.96011	0.9
97.02970	0.6
99.00873	1.2
101.02435	34.4
113.02446	32.4
116.92862	1.5
119.03490	12.4
125.02425	1.5
131.03482	2.7
134.03770	0.7
143.03517	4.5
149.04550	2.9
149.89215	0.8
161.04539	10.3
179.05608	12.7
214.37653	0.6
218.82962	0.6
221.06720	1.5
258.73529	0.7
277.37604	0.7
653.26025	1.1
673.39655	46.7
691.40576	16.4
692.45105	0.8
701.24652	0.9
733.29517	1.2
733.41821	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	733.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51977	0.5
59.01381	100.0
65.42226	0.4
71.01383	2.7
73.02940	0.9
85.02979	0.6
89.02440	0.7
94.98055	0.7
96.96000	31.7
101.02459	1.2
113.02444	2.0
141.03632	0.5
173.70869	0.4
180.27458	0.5
184.45714	0.5
215.43492	0.5
230.35547	0.6
237.50885	0.6
246.77730	0.5
293.66174	0.5
294.41431	0.6
312.87561	0.6
545.34106	0.7
673.40149	3.4
689.38708	2.0
733.41742	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	733.418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58594	0.9
54.11764	0.9
58.20979	0.9
59.01382	100.0
62.12679	1.1
71.01387	16.1
73.02940	15.5
83.01356	2.0
85.02939	6.4
85.59634	1.1
89.02434	13.5
95.69593	1.1
101.02438	20.7
113.02450	16.8
117.17305	1.2
119.03526	2.8
132.75990	1.3
137.01817	1.2
161.04529	6.2
221.06575	2.1
511.84442	1.2
545.33893	1.7
613.37408	29.1
631.38556	17.9
673.39618	59.8
733.41022	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	733.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.6
59.01383	100.0
71.01380	4.1
76.54242	0.5
84.21854	0.5
89.02431	7.6
101.02452	5.2
113.02450	2.3
119.03486	2.5
119.49572	0.6
179.05618	1.4
332.57486	0.7
413.31818	0.6
421.24371	0.8
613.37604	41.9
673.39856	13.5
733.42902	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	734.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40620	0.6
57.47107	0.6
59.01385	39.4
59.01683	1.3
62.82740	0.7
71.01379	18.8
73.02954	1.2
75.37452	0.7
83.01337	0.8
85.02934	1.6
87.00883	0.8
89.02446	28.0
101.02438	13.7
101.35249	0.6
113.02454	10.8
119.03483	9.2
143.03429	1.3
161.04532	1.3
161.59631	0.7
179.05597	14.6
233.49736	1.0
283.02548	1.6
293.21378	0.8
366.29477	0.8
674.40045	6.6
691.40735	100.0
692.41217	3.1
734.41492	19.8
758.97870	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68436	0.4
60.99306	1.0
62.59760	0.4
67.01893	2.4
71.01366	1.2
85.02922	0.7
87.00865	4.6
93.03448	23.0
99.96276	0.5
100.93171	0.4
111.04507	5.2
113.02453	0.5
115.80560	0.4
123.19578	0.5
129.01927	0.7
134.03716	5.4
137.02414	1.0
149.06137	0.5
155.03488	2.7
163.04105	0.5
171.94894	0.4
173.04539	39.9
178.02878	0.5
183.75024	0.5
191.05620	100.0
193.05045	12.4
280.49860	0.5
367.10352	75.5
429.67093	0.5
534.18414	0.5
558.82910	0.5
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
57.03447	2.5
59.01105	0.2
59.01383	7.0
60.32504	0.2
61.51536	0.1
61.79134	0.2
66.67530	0.2
71.01362	0.4
73.02932	0.3
83.01392	0.2
83.96937	0.2
85.02930	0.3
89.02419	0.2
90.20265	0.2
99.04512	2.3
101.02440	0.9
113.02464	0.7
123.55219	0.2
125.02421	0.8
133.98436	0.2
144.76511	0.2
196.33029	0.2
237.81606	0.2
268.03796	25.4
281.04523	0.3
283.06137	100.0
335.26883	0.2
416.69110	0.2
443.35068	0.2
487.33337	1.5
505.33554	0.4
529.33856	0.4
547.35120	3.0
589.36566	0.3
591.34229	0.3
675.19379	2.4
675.40674	0.3
691.39508	2.5
735.39697	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	735.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	12.2
65.37913	0.6
69.16743	0.6
70.23291	0.6
71.01372	7.8
75.00867	4.5
77.03442	0.6
78.15164	0.6
85.02944	7.4
87.00869	3.6
89.02440	2.7
95.01402	1.4
99.00881	3.4
101.02430	1.0
103.00414	0.8
113.02438	17.9
115.00370	1.0
117.01893	1.3
119.05020	11.8
130.87566	0.7
145.02950	9.2
163.04019	31.7
175.02422	1.1
193.46123	0.7
207.05048	1.4
235.11932	2.6
237.07480	2.4
249.06166	15.8
267.07230	48.5
277.13138	1.0
322.25476	0.8
413.10931	100.0
574.69446	0.8
626.67950	0.9
649.99786	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13551	0.1
53.24470	0.1
57.03456	0.2
59.01368	0.4
75.00865	0.3
77.70865	0.2
85.02930	0.2
88.97571	0.2
89.02429	0.4
92.22549	0.2
97.59733	0.2
99.04597	0.2
101.02422	0.2
119.04993	2.8
134.03735	17.9
137.02411	1.7
139.03966	0.3
140.76268	0.2
149.06073	20.6
163.04005	6.8
178.02713	26.2
179.05592	1.5
186.96156	0.2
193.05063	100.0
199.09688	0.2
203.03429	0.2
209.06683	3.3
279.20047	0.2
355.10385	42.7
379.16214	1.7
397.11420	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	6.5
59.01374	6.3
60.45593	1.1
63.74448	1.0
70.43649	1.0
71.01374	1.6
85.02933	7.5
85.53365	1.2
86.08984	1.2
92.22681	1.3
97.02927	1.3
97.32737	1.1
99.00873	2.0
99.04504	8.5
101.02431	1.2
102.91528	1.4
115.03989	1.4
119.05010	7.0
129.01912	8.5
132.29845	1.1
134.03738	22.3
149.06061	4.5
159.02982	1.7
161.04564	2.3
163.04016	21.7
179.05576	2.7
185.23044	1.2
191.05540	2.4
192.07066	1.3
193.05049	71.4
201.62088	1.1
209.06670	34.5
269.77808	1.3
342.50931	1.2
345.52426	1.4
355.10385	100.0
379.06003	1.6
379.16180	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	735.316
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55889	2.7
59.01358	13.1
62.18423	3.3
78.76463	3.2
94.26006	4.4
103.28202	3.3
110.02464	7.6
113.03541	6.0
114.01933	5.7
119.07518	4.0
131.04585	8.6
203.96980	3.5
216.13512	4.2
273.56104	4.1
361.87692	4.7
445.20364	100.0
459.21249	27.6
460.22125	16.6
461.22495	4.5
473.22180	16.4
474.23270	5.1
487.24088	6.1
488.24619	4.8
504.21677	95.1
513.22040	17.1
514.22723	6.7
515.23578	15.1
518.23474	7.2
519.23926	17.9
528.24384	5.6
530.25787	7.6
560.27094	5.1
561.27643	15.7
562.28589	31.0
573.25146	7.8
595.91840	4.1
600.24811	4.2
601.26770	15.1
603.26074	7.8
605.27875	93.9
615.28113	6.6
616.29291	13.1
632.31305	41.2
648.31854	6.1
659.29767	38.1
691.32684	24.1
735.31567	18.4
735.43896	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	735.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64615	1.6
55.14651	1.5
57.03452	33.4
57.15382	1.7
59.01107	4.2
59.01387	100.0
62.68365	1.9
65.18113	2.0
71.01381	19.0
71.58488	1.9
73.02937	14.6
85.02943	5.0
85.88006	2.0
88.41853	1.9
89.02447	13.2
95.01346	2.5
99.04514	30.7
101.02474	16.3
108.12833	2.3
113.02456	26.4
125.02458	15.7
140.40672	2.1
161.04517	3.3
327.42203	2.6
404.13626	2.7
482.34491	2.7
487.32648	4.6
529.33905	4.0
547.34814	19.1
589.35638	4.4
594.23840	2.6
631.38757	13.3
649.40015	8.0
675.41083	4.6
691.40063	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	735.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26915	1.5
57.03450	69.2
59.01382	100.0
62.74644	2.0
66.27435	1.9
71.01376	11.1
72.53636	2.2
73.02948	8.4
78.85352	1.7
83.01386	8.2
85.02937	11.0
89.02437	4.6
90.03358	1.9
96.96027	2.6
99.04511	73.0
99.05161	2.9
101.02438	26.7
113.02438	13.4
125.02424	43.6
129.79317	2.1
143.03508	2.3
221.32413	2.1
229.18031	11.0
287.85413	2.6
309.06021	2.4
373.22299	3.3
465.86978	2.1
469.31793	10.2
487.32791	28.8
529.33691	24.5
547.34882	53.9
589.35876	13.1
631.37476	8.5
649.37543	2.8
691.39294	87.8
731.02032	2.1
735.37738	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	735.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	68.8
58.42759	1.5
59.01110	4.5
59.01388	100.0
59.01686	3.8
63.20807	1.7
68.70766	1.5
70.28851	1.7
71.01371	17.3
73.02950	10.0
82.15649	2.2
83.01369	4.0
85.02944	4.4
87.00880	1.8
89.02406	2.4
99.04510	58.8
99.81711	1.8
101.02438	27.2
109.23986	1.7
113.02448	14.3
125.02442	31.0
137.72197	1.9
143.03517	2.7
161.04556	3.1
183.13934	10.2
220.15688	2.0
225.00851	2.5
227.12915	10.5
229.18030	12.3
310.91708	1.9
320.26291	2.2
333.97897	1.9
373.22406	6.6
393.38205	2.1
469.31732	8.0
487.32861	44.2
505.33865	7.8
529.33929	24.1
547.34943	54.6
589.35999	13.1
631.38293	2.7
691.39282	82.8
735.39252	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	735.38
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42006	0.6
57.03451	42.2
59.01384	100.0
71.01379	14.8
73.02946	13.0
83.01381	4.0
85.02955	8.3
85.73527	0.6
89.02434	4.9
93.07076	3.5
95.01350	1.3
96.95969	2.6
97.02934	0.8
99.00853	1.5
99.04517	30.6
101.02444	19.4
111.00902	0.7
113.02453	13.1
119.03447	1.2
125.02432	17.0
143.03493	3.2
159.02905	1.0
161.04596	5.1
213.18582	3.6
218.39629	0.7
268.03796	7.7
283.06143	33.3
343.28418	1.6
357.23065	1.3
400.55289	0.8
469.31830	2.8
487.32886	28.7
505.33936	7.8
529.33716	13.0
547.34985	55.7
589.35895	8.9
591.33838	1.2
631.38757	1.5
647.39874	0.8
649.39191	1.0
675.18640	0.9
675.41174	4.3
691.39771	59.1
735.39063	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	735.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08169	1.2
58.10831	1.4
59.01384	99.2
71.01379	32.0
73.02943	31.9
83.01402	6.2
85.02930	11.8
89.02442	21.5
92.22466	1.3
101.02435	27.8
113.02449	25.6
119.03481	8.3
131.03401	1.8
137.13628	1.7
143.03493	1.9
149.04514	6.0
161.04585	6.6
201.76947	1.6
221.06798	3.3
221.08830	1.6
328.04062	1.5
486.56860	1.7
631.28674	3.2
631.38489	38.6
649.39551	33.8
691.40662	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08169	1.2
58.10831	1.4
59.01384	99.2
71.01379	32.0
73.02943	31.9
83.01402	6.2
85.02930	11.8
89.02442	21.5
92.22466	1.3
101.02435	27.8
113.02449	25.6
119.03481	8.3
131.03401	1.8
137.13628	1.7
143.03493	1.9
149.04514	6.0
161.04585	6.6
201.76947	1.6
221.06798	3.3
221.08830	1.6
328.04062	1.5
486.56860	1.7
631.28674	3.2
631.38489	38.6
649.39551	33.8
691.40662	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85983	0.6
59.01384	100.0
60.01707	0.6
71.01378	22.7
73.02940	23.9
83.01383	3.8
85.02947	7.4
87.00864	0.7
89.02427	14.2
95.01350	2.7
95.68867	0.7
95.99231	0.7
99.00874	0.8
101.02439	22.5
101.03085	1.1
113.02449	21.7
119.03480	3.7
125.02406	1.4
131.03487	1.3
149.04567	1.3
161.04538	4.9
179.05580	0.9
187.84015	0.7
218.46777	0.6
221.06686	1.1
299.05603	0.9
314.08380	0.8
341.50098	0.7
631.38702	3.9
636.70837	0.8
649.39532	1.6
675.41180	18.8
691.40820	42.4
693.42255	13.1
735.43573	13.2
750.20898	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3983
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55939	0.7
57.03448	5.5
59.01385	100.0
71.01383	18.7
73.02946	8.4
81.82326	0.9
83.01385	1.0
85.02940	11.8
86.67257	0.9
89.02431	7.4
95.01385	3.7
99.00900	1.0
99.04499	4.2
101.02440	17.5
113.02454	15.9
119.03519	1.3
124.87982	1.1
125.02405	2.0
150.80826	1.0
159.53601	0.9
161.04587	4.8
191.57945	0.9
231.74364	1.2
232.30870	1.0
241.96669	1.0
247.10097	1.0
321.58670	1.3
348.63589	1.0
364.87509	1.1
439.32178	1.6
457.33145	1.5
535.48096	1.1
547.34613	1.2
591.33722	1.7
631.38562	21.1
649.39661	16.1
691.40649	59.1
735.38208	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	735.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83743	0.5
53.73269	0.5
59.01382	100.0
69.82226	0.5
71.01374	11.5
73.02940	17.0
83.01383	2.9
85.02948	3.8
89.02431	9.2
92.22457	0.8
101.02430	14.5
113.02434	9.4
119.03482	3.0
127.73514	0.7
131.03525	0.9
158.10173	0.6
161.04549	1.1
166.99927	0.6
189.70648	0.7
193.33844	0.6
196.85297	0.7
214.33302	0.6
256.16187	0.7
261.99323	0.7
341.96124	0.8
446.71167	0.7
516.90094	0.7
610.20184	0.6
615.38794	1.2
631.38867	4.1
649.39478	3.1
675.40948	8.1
691.40704	59.2
735.43103	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	735.3983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	4.7
59.01383	100.0
71.01370	12.7
71.62579	1.0
73.02937	27.4
83.01376	4.3
83.17281	1.0
85.02943	4.7
89.02444	9.1
97.53376	1.0
99.04548	1.3
101.02441	19.9
113.02419	11.6
119.03460	2.1
125.02438	1.5
137.55240	1.1
143.03488	1.3
161.04561	6.8
262.94455	1.1
283.06055	1.8
290.65363	1.1
424.20709	1.2
516.33636	1.2
547.35101	2.5
631.38818	4.8
633.39496	1.5
649.39740	4.3
675.41132	2.1
688.46149	1.2
691.40619	76.3
761.15942	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	735.3979
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84968	1.6
57.03453	3.8
57.29287	1.3
59.01382	100.0
60.14690	1.3
64.37510	1.3
71.01380	28.2
73.02945	31.9
74.76566	1.7
83.01395	8.5
85.02943	12.2
89.02433	23.7
89.42794	1.4
92.22453	1.5
95.01374	2.6
99.04490	6.2
101.02448	31.0
113.02451	32.5
119.03476	10.6
123.71941	1.5
125.02473	2.1
132.78209	1.5
136.63152	1.8
143.03464	2.0
161.04529	6.3
179.05605	9.1
219.49944	1.6
411.28632	2.0
487.33951	6.6
547.34833	2.6
564.78888	1.8
631.38538	56.8
649.39844	13.8
691.40637	75.0
735.38080	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	735.396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43386	1.4
57.03448	8.5
59.01383	100.0
60.85180	1.3
67.48888	1.3
71.01378	26.5
73.02941	16.2
83.01392	3.2
84.68874	1.4
85.02941	8.1
87.00868	1.4
89.02429	18.1
95.01357	1.7
99.00871	1.5
99.04513	8.3
101.02436	25.5
113.02446	25.3
119.03493	5.9
121.67693	1.4
125.02405	2.7
131.03465	2.4
136.71027	1.4
143.03508	1.7
149.04523	2.4
161.04585	6.7
201.31871	1.5
348.46390	1.4
424.96088	1.6
487.33649	7.9
529.34131	2.3
547.34991	5.7
613.37628	2.2
615.38300	6.0
631.38574	18.0
633.39880	2.9
649.39215	6.2
673.39313	13.3
675.41101	22.4
691.40381	45.0
735.40765	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	735.433
Annotation	Nonactin
Peak:m/z	Relative Intensity
52.69726	1.0
52.94997	0.9
55.23469	1.3
57.03442	1.2
59.01383	100.0
71.01374	25.4
73.02946	14.7
83.01369	5.6
85.02959	9.3
89.02436	18.3
92.22581	2.2
95.01365	3.2
101.02451	20.3
102.51581	1.2
113.02440	24.0
119.03472	2.8
131.03548	1.5
143.03482	1.7
146.45105	1.3
161.04558	6.9
179.05611	2.5
202.01547	1.5
224.23466	1.3
296.51108	1.5
359.68369	1.3
675.41199	55.4
693.42273	21.6
735.43402	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	735.433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43184	1.0
57.03444	1.4
57.21258	1.0
59.01382	9.0
68.91547	1.1
79.28349	1.2
89.02422	1.3
97.63680	1.1
101.02443	2.8
109.59942	1.1
112.99442	1.2
113.02370	1.3
131.02786	1.1
161.04539	1.7
177.12823	15.4
195.13913	54.0
221.11797	1.4
239.12849	1.4
253.09262	1.9
277.21732	71.4
278.82034	1.4
378.27380	1.6
378.32010	1.4
398.19861	1.1
605.11414	1.6
697.62689	1.4
703.61163	1.4
735.29718	4.3
735.43304	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4331
Annotation	Nonactin
Peak:m/z	Relative Intensity
52.92399	0.7
58.66509	0.5
59.01385	100.0
71.01383	27.6
73.02945	20.2
74.21989	0.7
83.01386	4.0
85.02940	11.5
89.02440	19.7
89.37171	0.6
95.01375	3.9
96.26299	0.7
99.00831	0.8
101.02436	19.2
113.02448	27.8
119.03501	5.8
125.02405	1.0
131.03491	1.1
143.03513	1.3
149.04541	1.0
161.04514	8.4
179.05609	5.0
221.06718	1.0
444.75815	0.7
574.27826	0.8
616.47131	1.0
675.41229	54.0
693.42206	29.4
703.33978	0.8
735.43390	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	735.4334
Annotation	Nonactin
Peak:m/z	Relative Intensity
55.01867	0.6
56.75819	0.6
57.03441	2.3
57.92939	0.5
59.01382	100.0
63.46229	0.5
68.75469	0.6
69.03442	0.7
71.01378	37.5
72.99274	0.6
73.02941	35.8
73.18066	0.5
74.86724	0.5
77.90855	0.5
79.38745	0.5
80.42834	0.5
83.01389	5.4
85.02476	0.9
85.02938	15.9
87.00862	0.9
89.02440	21.8
95.01378	6.6
97.02952	1.1
99.00876	1.1
99.58598	0.6
101.02438	29.9
113.02442	35.3
119.03485	9.4
121.09034	0.6
125.02454	0.8
131.03485	1.2
143.03485	3.5
149.04547	3.2
161.04561	7.4
165.88406	0.6
179.05638	4.1
221.06673	2.4
226.07756	0.6
239.68031	0.7
675.41223	36.8
693.42181	20.1
735.43353	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	735.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
71.01379	34.8
72.99307	2.1
73.02953	1.6
74.45930	0.7
78.62891	0.9
83.01371	0.9
85.02957	4.8
87.00900	1.2
89.02440	51.4
92.23129	1.3
95.01369	1.0
101.02439	24.7
107.33469	1.0
113.02461	18.6
119.03492	22.5
120.46646	0.9
125.02452	1.4
131.03532	1.1
143.03511	3.8
149.04512	1.7
161.04568	4.2
179.05608	28.6
209.97911	1.0
228.17500	1.0
253.09410	1.0
375.09180	1.1
675.41223	95.7
735.43182	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	736.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58424	0.4
57.36340	0.4
59.01377	1.9
61.98832	100.0
64.31095	0.4
79.59915	0.5
85.93160	0.5
88.31464	0.5
104.67713	0.4
128.83707	0.5
135.58693	0.5
152.24205	0.5
160.07825	0.5
222.92210	0.5
244.56432	0.5
269.66479	0.5
444.16565	0.9
445.16907	1.0
455.17303	3.1
456.17694	0.7
457.17767	2.2
458.17645	4.9
459.18781	1.0
460.18710	2.2
473.18484	3.9
474.19125	0.6
475.18280	3.3
476.18820	6.1
477.15997	0.9
488.18771	0.6
496.13913	2.7
497.14017	0.9
498.13574	1.2
499.14185	6.6
500.14969	2.0
511.16245	1.0
512.13367	5.8
513.14331	3.7
514.13196	7.1
515.13635	16.0
516.14368	1.7
526.15106	3.0
527.15356	3.4
528.15045	5.5
529.15320	10.5
530.15765	4.7
585.18121	0.6
586.18945	5.8
599.18323	0.8
600.20160	0.9
602.21234	2.4
614.20264	11.6
615.20453	3.5
616.20288	8.2
617.20575	41.8
618.20862	6.4
632.23114	0.8
648.22247	2.6
649.19421	1.1
673.21582	1.0
676.21466	3.7
736.21790	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	736.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
79.40164	0.7
101.38461	0.6
110.41293	0.6
122.27106	0.6
133.78918	0.6
147.60236	0.6
215.63567	0.7
227.81816	0.6
369.68942	0.7
444.17303	0.7
445.16586	1.0
455.16901	3.2
456.17664	1.1
457.17291	1.0
458.17300	3.2
460.19244	0.8
473.17926	2.7
474.18292	1.0
475.18179	2.4
476.18759	6.4
496.14023	2.9
498.13812	0.9
499.14410	5.5
500.15292	1.0
510.15359	0.8
512.13312	6.5
513.14386	3.5
514.13300	5.2
515.13568	12.4
516.14551	0.7
526.14764	4.5
527.15613	2.7
528.14990	4.1
529.15289	9.3
530.15735	5.0
531.17096	1.0
586.19116	3.2
599.19073	1.1
600.20001	1.0
602.19739	1.5
614.20404	11.6
615.21063	4.4
616.20599	8.2
617.20587	40.4
618.20966	4.9
648.22229	2.8
676.22174	4.4
736.21545	45.0
761.19794	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	36.5
60.01712	3.4
61.01818	0.8
61.98833	100.0
129.95926	0.4
136.99326	0.5
148.58693	0.4
169.34084	0.5
191.52827	0.5
295.97342	0.5
444.19687	0.8
484.15118	0.5
485.16010	0.9
501.15903	2.6
514.17480	0.7
515.17328	1.8
602.22321	3.6
603.22681	12.1
736.27460	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	736.429
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79891	0.9
59.01097	2.1
59.01385	45.1
67.00411	1.1
71.01376	14.2
85.02940	4.9
89.02450	20.2
92.22435	1.5
101.02447	9.3
113.02439	9.8
114.96595	1.3
119.03509	8.1
161.04515	1.3
164.85725	1.1
179.05698	1.7
216.00203	1.4
369.76297	1.4
485.78787	1.7
561.82245	1.3
625.44720	1.4
634.40076	1.6
676.41449	12.9
693.42328	100.0
736.43060	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	737.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
63.24989	0.7
63.38693	0.7
115.38470	0.9
117.03456	2.1
117.36980	0.8
134.03738	58.7
137.02460	1.0
137.91524	0.9
146.03746	1.6
149.06073	29.8
151.03998	1.3
153.05629	0.8
160.01654	1.0
164.04729	0.8
175.03983	6.4
178.02718	8.5
179.07089	10.2
193.05069	100.0
205.14153	1.0
219.02840	0.8
227.15091	0.8
233.26555	0.9
237.07631	1.1
267.08817	9.5
280.79880	0.8
373.91599	1.0
469.13504	10.9
649.21497	12.7
685.94489	0.9
730.52991	1.1
737.23071	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	737.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03492	1.4
59.01373	7.6
59.88225	1.7
63.21178	1.3
69.67323	1.9
71.01362	3.5
78.05296	1.6
89.02457	2.2
99.00877	3.9
101.02455	1.9
113.02425	3.8
134.03743	2.7
190.06433	2.3
193.05104	3.7
283.09985	2.4
294.08978	7.5
294.14923	2.0
295.09833	2.0
296.10736	2.7
297.07935	3.1
297.11392	3.1
308.10544	4.1
309.07666	28.8
309.11353	17.5
311.12781	2.0
312.10089	35.9
323.09286	7.1
324.10104	78.6
325.10916	3.1
327.12396	72.2
339.12415	72.4
357.13522	2.2
394.43744	1.7
519.18414	1.9
633.22034	2.2
651.23096	2.6
675.23431	14.2
693.24072	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56792	1.0
53.61015	0.9
55.01893	1.0
59.01384	90.5
64.95861	0.9
71.01379	66.0
72.99290	2.0
73.02935	10.7
83.01379	2.5
85.02955	8.1
87.00883	2.6
89.02438	100.0
95.01366	2.3
99.00854	1.3
101.02441	43.0
108.02171	1.3
113.02447	42.9
119.03489	38.1
123.04520	13.0
125.02443	1.1
129.57393	1.0
131.03528	4.3
143.03494	5.5
145.06601	10.7
149.04533	4.3
151.03975	1.4
161.04541	9.1
166.02213	1.3
173.06064	28.9
179.05615	45.2
179.07014	1.5
203.08113	1.1
221.06694	4.2
238.17241	1.1
245.09337	1.8
256.92545	1.1
264.07889	16.3
266.09650	1.6
276.07971	1.2
279.10284	28.5
281.11920	1.5
294.08978	1.2
297.11441	4.3
309.11420	23.7
357.13321	1.6
459.16687	29.3
471.16681	57.7
489.17740	35.4
501.17761	13.2
513.17712	38.5
531.18781	23.0
555.71307	1.3
693.24347	1.3
737.26624	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	737.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.6
59.01379	18.4
71.01364	1.7
81.03435	1.2
82.81130	1.1
85.02923	7.9
85.60105	1.2
87.00877	1.9
97.02906	1.4
99.00868	2.3
103.69631	1.1
113.02430	1.4
117.03432	1.4
119.05005	10.5
129.01956	10.8
133.02930	1.1
134.03732	34.4
149.06050	9.2
159.02953	2.8
163.04021	31.5
179.05600	4.7
191.05621	1.3
193.05064	84.5
193.67741	1.3
209.06683	31.4
283.02551	8.6
285.03931	2.4
311.11313	6.8
355.10382	100.0
381.17816	1.9
386.63000	1.4
693.17151	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	737.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.6
59.01379	18.4
71.01364	1.7
81.03435	1.2
82.81130	1.1
85.02923	7.9
85.60105	1.2
87.00877	1.9
97.02906	1.4
99.00868	2.3
103.69631	1.1
113.02430	1.4
117.03432	1.4
119.05005	10.5
129.01956	10.8
133.02930	1.1
134.03732	34.4
149.06050	9.2
159.02953	2.8
163.04021	31.5
179.05600	4.7
191.05621	1.3
193.05064	84.5
193.67741	1.3
209.06683	31.4
283.02551	8.6
285.03931	2.4
311.11313	6.8
355.10382	100.0
381.17816	1.9
386.63000	1.4
693.17151	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	737.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.6
59.01112	0.4
59.01388	10.6
62.66014	0.4
71.01379	7.2
73.02950	1.6
78.98592	4.9
79.95316	0.5
79.95697	3.6
80.96514	44.8
81.03469	0.5
83.01387	0.5
85.02940	3.0
87.00843	2.1
87.04549	0.5
89.02435	2.0
94.98079	12.7
95.01415	0.5
96.95979	0.5
97.02934	2.1
99.00873	0.7
99.60363	0.4
101.02441	4.6
103.93191	0.4
106.98074	2.3
113.02418	2.5
122.97572	3.0
125.02432	6.0
134.97565	6.2
136.99127	2.2
148.99142	7.1
152.98628	10.1
164.97231	1.0
164.98618	25.1
165.12830	2.0
167.00087	0.6
183.13919	11.6
188.98569	0.7
206.99693	5.8
225.00754	52.4
227.12910	1.1
243.01720	0.5
319.39664	0.5
396.51688	0.5
504.01901	0.4
509.16992	9.3
593.35559	1.1
677.42133	1.8
719.29590	0.6
737.30627	100.0
742.20105	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	9.3
59.29065	0.8
61.98827	11.5
62.54545	0.8
68.18303	0.7
76.64030	0.7
79.96323	0.8
89.02413	0.7
116.92858	3.2
129.40300	0.8
143.67290	0.7
161.99602	1.3
210.20615	0.8
227.03439	1.8
255.02982	15.6
256.03729	5.6
271.06244	1.2
279.23383	1.4
283.02484	84.1
284.03281	48.3
298.01404	1.8
298.04828	62.5
299.05630	100.0
305.84656	0.9
397.13388	1.4
615.20142	1.3
618.20837	1.7
737.31879	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	737.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	14.1
62.63480	1.7
79.95723	3.0
94.98076	40.7
101.39061	1.6
151.04543	1.6
165.48335	1.7
169.04131	1.9
207.13019	1.4
227.03513	2.2
253.63702	1.5
255.02954	11.6
256.03802	2.0
275.20087	1.6
283.02481	88.3
284.03268	29.0
293.21185	3.3
298.04843	63.9
299.05624	67.5
545.19330	1.8
737.31763	100.0
749.60736	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	737.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06826	1.2
55.01880	1.3
57.03439	1.7
57.42524	1.1
59.01381	95.3
69.94006	1.3
71.01007	2.4
71.01375	44.4
71.01778	1.5
73.02917	10.1
83.01388	3.3
85.02937	19.6
87.00874	3.3
89.02435	37.4
92.23132	2.6
95.01364	5.6
99.00847	2.5
101.02438	35.0
111.00864	1.9
113.02431	37.5
119.03503	12.1
125.02418	2.1
134.03725	2.6
145.34315	1.4
160.01620	2.2
161.04524	2.4
175.03989	6.2
189.58499	1.4
193.05034	5.2
217.59412	1.4
283.02469	5.4
287.04626	1.3
298.04926	6.2
473.04181	1.5
497.53876	1.6
563.92444	1.8
633.38818	55.0
651.39728	32.0
661.13873	2.9
693.40851	100.0
737.37506	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	737.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	13.5
59.01102	4.0
59.01384	100.0
61.06864	1.9
71.01379	35.2
73.02929	5.2
83.01400	2.8
83.02124	2.2
85.02956	17.3
85.57160	1.8
87.00874	1.9
87.10667	1.9
88.28879	2.1
88.56712	1.8
89.02439	39.7
95.01382	2.5
99.04519	9.5
101.02432	33.5
113.02441	31.6
119.03492	8.3
122.32758	2.2
125.02426	5.5
125.77583	2.2
143.03430	2.6
161.04561	4.0
185.68964	2.3
471.33176	2.5
489.34152	4.9
507.35480	2.9
531.35199	2.5
549.36603	13.3
593.35431	5.0
633.38531	45.3
651.39618	31.1
693.40869	76.3
737.40015	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	737.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.4
59.01382	100.0
60.35896	1.3
66.43475	1.3
68.69955	1.2
71.01374	36.5
73.02939	14.0
83.01377	3.4
85.02956	11.3
89.02431	30.6
93.19798	1.5
95.01388	2.5
99.04530	2.0
101.02428	32.7
113.02435	37.7
117.28021	1.4
117.52542	1.7
119.03481	9.0
125.02396	2.7
143.03513	2.5
151.11908	1.7
151.82590	1.6
161.04507	2.5
419.44009	1.5
480.19315	1.8
489.36572	2.6
547.31348	1.9
598.99414	1.6
633.39160	42.6
649.34198	1.8
651.39850	26.5
677.39948	2.0
693.41016	99.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	6.6
68.04185	0.8
68.99815	1.1
69.03461	1.0
71.01375	7.3
72.99276	1.5
75.00866	5.2
78.06344	0.8
84.72720	0.9
85.02927	7.7
87.00837	1.2
89.02429	2.0
95.01412	1.1
97.02945	1.4
98.60295	0.9
99.00865	4.0
99.04500	1.0
103.00346	1.6
113.02449	19.1
117.01975	1.5
121.93344	1.0
133.01413	1.4
148.99269	1.0
154.99582	7.2
175.02509	1.6
183.13826	1.6
215.01788	2.4
223.13130	4.3
231.05090	5.8
249.06168	86.4
255.23392	7.5
287.03647	1.5
289.05386	11.3
737.40985	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13518	1.2
57.03445	2.4
59.01380	100.0
60.23355	1.0
60.24778	0.9
71.01366	13.9
73.02935	8.0
85.02939	7.3
87.00886	1.3
87.04501	1.8
89.02467	3.7
101.02442	10.8
113.02422	11.3
115.92052	1.2
118.94315	1.2
122.17027	1.3
134.29646	1.1
154.47923	1.4
161.04501	1.8
413.30753	2.9
473.32568	1.9
487.34177	1.8
489.35779	8.3
607.33417	1.7
633.40173	31.4
651.40906	7.4
677.42499	12.7
693.16223	1.4
693.42163	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	737.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50819	0.9
57.03434	1.0
59.01381	95.8
71.01376	21.3
73.02937	9.8
83.01356	2.7
85.02939	11.4
89.02448	6.2
95.01378	1.8
99.00874	1.8
101.02444	19.0
105.15722	1.1
106.28693	1.2
113.02431	19.1
119.03452	1.2
119.76275	0.9
152.57489	1.1
161.04590	1.9
273.74237	1.1
317.79745	1.2
364.73697	1.2
393.21436	1.4
401.30408	1.4
413.30618	12.0
419.26074	1.2
473.32541	2.6
487.34167	7.5
489.35883	28.5
633.40167	82.4
651.41016	17.1
658.36481	1.4
693.42291	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86986	2.9
59.01381	100.0
71.01380	21.1
80.59016	3.1
85.02922	4.2
89.02435	13.6
101.02436	17.8
104.65356	3.2
106.45034	3.0
109.06441	3.2
113.02445	15.7
116.39648	2.7
117.76719	2.9
133.90955	3.1
135.62706	3.0
179.05669	6.5
180.78067	3.3
514.03522	3.8
677.41852	28.0
691.40839	47.5
693.41614	5.4
694.42279	4.4
737.42932	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	737.4127
Annotation	Mannioside A
Peak:m/z	Relative Intensity
53.56139	0.9
56.57507	1.0
56.86922	0.9
57.03440	1.1
59.01382	100.0
59.54964	1.1
60.12167	0.9
71.01378	29.2
73.02939	24.0
83.01373	2.1
85.02926	10.9
86.25014	1.2
89.02441	25.4
95.01378	5.4
101.02427	22.9
113.02433	32.5
119.03487	6.5
130.10390	1.5
135.39621	1.3
137.68213	1.2
143.03523	1.1
149.04465	1.6
161.04584	5.4
168.90359	1.4
179.05679	2.4
187.24820	1.1
564.68939	1.1
633.40228	44.9
651.41168	26.4
693.42291	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	737.4127
Annotation	Mannioside A
Peak:m/z	Relative Intensity
56.58931	0.8
59.01377	11.7
71.01373	5.6
72.99305	1.0
75.00867	7.4
85.02937	7.2
87.00873	3.4
96.27439	1.1
99.00893	6.0
102.75146	0.9
113.02446	7.6
115.00346	1.3
115.57159	1.1
117.01906	1.3
126.38499	0.9
161.89453	1.0
165.12857	6.1
183.13904	68.9
195.14760	1.1
277.21750	29.3
292.28482	1.1
441.70990	1.3
624.00812	1.2
735.99127	1.1
737.41321	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44937	0.8
59.01384	100.0
61.35017	0.9
71.01389	8.3
71.01719	0.9
73.02936	4.7
85.02959	5.4
88.35242	0.9
98.92107	0.9
99.00920	1.2
101.02448	9.8
111.61399	1.0
113.02454	5.3
124.41041	0.9
128.86491	0.9
140.01996	1.1
148.34183	1.0
149.62799	0.9
161.04605	1.0
227.47009	0.9
254.59819	1.0
278.62073	1.1
493.09335	1.0
651.41718	7.8
677.39142	1.9
693.42480	25.3
728.44324	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4124
Annotation	Mannioside A
Peak:m/z	Relative Intensity
58.58457	2.0
59.01102	4.4
59.01383	94.3
71.01375	30.9
73.02943	24.6
83.01383	3.6
85.02956	12.7
89.02432	21.9
95.01370	2.8
95.23788	2.2
101.02426	23.4
113.02441	29.7
119.03501	10.1
125.02428	2.2
161.04581	3.9
474.79443	2.5
528.93079	2.2
633.39984	35.8
651.41077	17.2
693.42255	100.0
762.30090	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	737.4151
Annotation	Mannioside A
Peak:m/z	Relative Intensity
52.46788	0.9
57.03435	1.4
59.01380	76.8
71.01008	1.8
71.01378	31.2
73.02940	23.5
83.01397	2.4
85.02949	11.2
89.02442	20.7
92.41727	1.0
95.01381	4.7
99.04510	2.2
101.02441	26.5
113.02435	24.0
117.97443	0.9
119.03476	6.5
125.02409	1.3
131.03532	2.1
149.04514	1.3
150.50787	1.0
161.04543	1.6
166.94037	0.9
167.90543	1.0
242.72902	1.0
409.31268	1.3
514.46112	1.3
526.02264	1.3
617.20789	1.1
633.39984	23.3
649.78375	1.2
651.40656	14.6
693.42017	100.0
737.38214	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	737.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35239	0.8
59.01384	15.0
61.98824	1.2
71.01374	5.7
78.98587	3.9
79.95746	1.7
80.96512	45.9
84.20103	1.1
85.02946	1.6
87.00885	1.9
94.98087	14.7
95.92776	1.1
96.68946	1.0
101.02425	2.4
116.92838	4.7
122.86805	1.1
122.97572	2.4
125.02424	6.2
134.97589	5.6
136.99147	1.8
139.00630	1.1
148.99174	9.0
152.98677	8.6
162.65178	1.2
164.98634	19.2
171.10353	1.4
206.99709	4.8
225.00766	37.7
293.21375	1.3
370.05273	1.1
481.17444	5.6
537.27875	1.5
737.41669	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84413	1.8
54.86695	1.9
56.29624	1.6
56.36707	1.6
59.01101	3.5
59.01382	79.7
59.01686	2.7
71.01375	23.9
73.02926	2.4
80.67515	1.8
83.10245	1.6
84.47060	1.6
85.02952	3.9
89.02438	25.6
99.43221	2.0
100.35760	1.8
101.02441	21.4
113.02443	11.6
119.03487	8.3
246.82275	2.1
277.21808	9.1
278.21973	4.1
279.22525	3.0
398.14081	4.2
399.14053	3.7
677.43085	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
59.61464	0.3
60.01734	0.3
61.98834	0.7
68.02027	0.4
71.01379	3.5
72.01728	0.4
73.02955	0.8
85.02950	0.4
89.02428	3.5
97.02940	0.4
99.20643	0.4
101.02437	2.2
113.02438	0.7
116.92866	0.6
119.03492	0.5
119.80982	0.3
121.18882	0.4
277.21576	2.6
278.22122	2.3
279.22357	0.8
347.27307	0.4
397.13660	2.5
398.14059	2.4
399.14166	2.1
416.15338	0.7
434.39197	0.4
545.10974	0.4
677.44000	8.3
737.44897	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	737.4489
Annotation	Cumingianoside A
Peak:m/z	Relative Intensity
55.17419	1.2
59.01381	91.2
71.01382	24.6
74.71645	1.0
85.02935	2.1
87.00883	1.0
89.02439	33.6
92.23041	1.5
101.02428	13.9
104.28935	0.9
107.58385	1.0
113.02457	9.4
119.03492	10.8
161.04544	2.6
165.34409	1.2
179.05635	16.3
304.07574	1.1
387.94434	1.1
455.09445	1.2
583.69550	1.1
584.29523	1.2
584.41467	1.2
677.42798	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33762	0.4
59.01381	100.0
71.01386	5.9
73.02946	0.5
80.09623	0.5
85.02969	1.0
85.15870	0.5
89.02438	9.2
95.01406	0.8
101.02438	5.1
113.02463	2.7
116.92822	2.4
119.03471	3.4
124.82537	0.5
130.31963	0.4
130.50627	0.5
154.62672	0.5
179.05626	5.8
295.90042	0.6
318.68997	0.6
486.76840	0.7
510.07785	0.6
617.40369	1.2
628.52594	0.6
635.42059	0.9
677.42749	21.7
677.53778	0.8
684.87457	0.6
685.00989	0.6
737.44971	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	737.449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60114	0.6
57.19851	0.4
59.01383	100.0
77.13770	0.5
89.94958	0.5
106.46711	0.5
117.85368	0.6
142.99582	0.5
153.94119	0.6
165.24301	0.5
194.81036	0.5
195.86006	0.6
211.45663	0.6
225.43095	0.6
439.46683	0.6
474.26337	0.7
478.81976	0.6
677.42999	3.2
678.12805	0.6
737.44946	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	737.4491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79777	0.5
52.13990	0.5
55.69584	0.5
55.75440	0.6
56.62299	0.6
59.01382	100.0
63.51678	0.5
64.14683	0.5
64.27192	0.5
68.73772	0.6
70.76109	0.5
71.01378	9.1
73.02930	4.2
78.77259	0.5
83.01370	0.8
83.72326	0.6
83.84064	0.7
85.02946	5.2
86.61905	0.6
89.02447	1.4
95.01375	0.8
101.02442	6.9
113.02448	4.4
113.06071	0.5
116.92842	0.8
134.03676	1.5
140.61815	0.5
141.95544	0.7
161.04552	2.5
163.99147	0.6
174.30360	0.6
191.24500	0.6
193.05060	1.5
271.82178	0.7
612.55414	0.8
614.33246	0.8
617.40533	1.3
665.22546	5.4
677.42786	38.9
721.41479	1.1
737.44934	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	737.4491
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87172	0.6
59.01384	100.0
61.70888	0.6
71.01387	5.0
72.46510	0.6
73.02950	0.8
73.44326	0.7
79.12356	0.6
85.02949	1.6
89.02427	1.2
96.48789	0.7
101.02448	5.0
113.02434	2.7
116.92863	1.7
134.03758	1.7
134.89479	0.6
155.68985	0.6
161.04501	0.8
165.12817	0.8
193.05161	1.0
201.24152	0.8
241.14442	0.8
242.31380	0.7
263.76498	0.7
284.19980	0.8
481.38815	0.7
617.41272	0.7
665.22705	4.5
673.20856	1.1
677.42902	19.7
693.42633	1.0
737.44910	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	737.4498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57274	0.8
53.61164	0.8
59.01382	100.0
71.01379	1.2
81.90586	1.1
95.61600	1.1
104.67825	1.0
137.07803	1.1
198.65929	1.2
290.56348	1.1
291.11099	1.1
343.17960	1.3
400.82764	1.2
511.00241	1.1
555.25751	1.3
677.42834	20.5
737.44946	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	737.4496
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94242	1.7
59.01099	3.9
59.01383	100.0
71.01379	11.9
73.02955	7.8
85.02956	8.4
89.02435	12.5
101.02431	11.2
101.40674	1.9
103.04012	3.6
103.90358	2.0
113.02455	3.4
119.03497	2.4
163.06137	2.6
283.02414	2.5
455.35663	2.7
616.08710	2.5
617.40369	11.3
677.42749	94.7
737.44049	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	737.4859
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	96.5
59.01384	70.4
73.02937	1.3
81.03434	1.5
92.23090	2.4
99.04513	100.0
101.02443	16.5
125.02427	47.8
143.03549	3.1
165.64053	1.3
222.11977	1.2
251.47119	1.3
277.21750	70.9
279.23251	1.8
285.80038	1.3
291.73444	1.4
293.06113	1.3
337.44354	1.4
339.62292	1.3
412.41418	1.6
479.57834	1.4
498.68359	1.4
709.30145	1.6
737.48846	16.6
750.02026	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	737.5189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95357	0.5
59.01377	6.6
63.80389	0.4
68.50928	0.4
82.54404	0.6
95.04992	0.9
112.07666	8.9
113.06057	3.2
123.61143	0.5
129.10352	6.3
130.08734	15.1
139.13048	0.6
153.10316	0.5
159.07919	0.6
161.84161	0.6
176.39865	0.6
207.15076	5.6
208.13466	0.8
224.17700	4.0
225.16090	29.8
320.23328	2.9
337.26065	5.7
338.24542	9.1
356.41428	0.5
371.17502	0.6
433.31937	2.5
450.34341	3.8
451.33090	1.7
546.39661	0.7
563.42896	2.3
633.37030	0.6
659.48956	8.6
677.49780	100.0
737.52094	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	737.5189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95357	0.5
59.01377	6.6
63.80389	0.4
68.50928	0.4
82.54404	0.6
95.04992	0.9
112.07666	8.9
113.06057	3.2
123.61143	0.5
129.10352	6.3
130.08734	15.1
139.13048	0.6
153.10316	0.5
159.07919	0.6
161.84161	0.6
176.39865	0.6
207.15076	5.6
208.13466	0.8
224.17700	4.0
225.16090	29.8
320.23328	2.9
337.26065	5.7
338.24542	9.1
356.41428	0.5
371.17502	0.6
433.31937	2.5
450.34341	3.8
451.33090	1.7
546.39661	0.7
563.42896	2.3
633.37030	0.6
659.48956	8.6
677.49780	100.0
737.52094	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	738.3566
Annotation	cyclomontanin A
Peak:m/z	Relative Intensity
59.01378	2.9
61.98833	100.0
67.97335	0.4
70.06566	0.4
73.02967	0.5
81.66071	0.4
89.02432	0.8
92.22520	0.6
92.83633	0.5
97.71493	0.4
98.75205	0.5
101.02461	0.8
113.02444	0.7
113.97725	0.4
115.05075	0.5
233.16280	0.5
277.21777	2.6
278.22183	2.0
279.22406	1.0
398.14047	1.7
399.14255	2.0
400.14453	0.8
432.29846	0.5
678.37427	2.4
683.35065	0.5
761.66406	0.6
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	cyclomontanin A
Peak:m/z	Relative Intensity
59.01377	1.6
61.98831	100.0
71.01382	0.8
71.17255	0.3
89.02473	0.5
90.83220	0.3
101.02482	0.5
183.65590	0.4
226.43639	0.4
277.21738	0.5
278.22064	0.8
279.22519	0.5
367.82205	0.4
397.13574	0.6
398.14151	0.5
399.14050	2.0
418.15387	0.5
678.37537	1.5
738.36292	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1889
Annotation	Rhamnocitrin 3-(5'''-p-coumarylapiosyl)-(1->2)-glucoside
Peak:m/z	Relative Intensity
57.88296	0.7
59.01370	5.2
61.27949	0.8
71.01366	1.7
73.80763	0.8
77.41063	0.8
89.02394	1.3
92.23174	1.4
113.02401	0.9
116.76743	1.0
119.05019	4.1
138.42561	0.8
145.02954	10.4
148.09653	0.8
151.20914	0.8
163.03989	2.0
165.02008	1.2
196.51498	0.9
234.21898	1.1
255.02994	3.8
266.10596	0.9
271.06073	1.3
283.02484	57.0
284.03281	1.9
298.04843	100.0
299.05655	12.7
348.97784	0.9
487.53323	0.9
575.14178	13.6
593.15320	11.8
695.42542	1.6
739.18939	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	739.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91301	0.4
55.02513	0.3
58.43404	0.3
59.01380	7.4
62.35128	0.4
62.40845	0.3
65.83139	0.3
71.01387	2.0
72.99303	0.5
73.02937	0.4
73.43532	0.4
85.02935	0.5
90.23555	0.4
92.22444	0.8
98.35606	0.4
101.02463	1.6
102.02787	0.5
113.02451	1.5
117.03462	0.7
119.05022	4.6
123.69063	0.4
133.46832	0.4
145.02957	10.2
163.03955	3.9
165.01982	3.2
178.99605	0.3
255.02945	4.8
269.04465	0.6
271.06116	1.8
283.02493	54.8
284.03265	4.3
298.04840	100.0
299.05624	13.7
299.08813	0.7
311.05463	0.6
312.06888	0.4
393.66840	0.5
491.36893	0.7
575.14252	13.6
593.15155	12.4
634.40631	0.5
635.40839	4.4
653.41583	0.5
688.40771	0.4
695.42719	6.9
739.18890	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	739.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83450	0.6
54.64237	0.7
56.11197	0.6
57.03439	0.9
59.01381	9.9
59.69951	0.6
71.01375	5.1
71.47404	0.8
73.02943	4.0
83.01380	0.8
85.02918	1.1
89.02432	3.5
91.81552	0.8
93.03445	10.3
99.00871	5.6
99.04576	1.0
101.02436	3.7
113.02436	5.4
121.02951	3.5
131.03482	0.8
150.03250	1.0
159.04440	1.0
160.05301	5.7
161.04553	1.1
163.03880	1.2
164.04785	4.0
165.01910	1.1
174.98598	0.8
175.07634	21.3
177.05600	4.1
178.06378	9.3
178.75046	0.9
190.66998	0.8
192.07921	7.5
193.08710	4.6
209.21008	0.8
314.11743	0.9
315.12344	3.8
329.13983	100.0
359.14819	4.0
397.59119	0.9
635.23114	4.0
644.29663	0.9
653.24121	1.9
695.25629	66.5
739.23682	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	739.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70170	0.7
55.01894	0.7
57.03448	8.4
59.01381	12.7
64.82610	0.8
71.01382	4.5
72.99315	2.0
73.02941	1.2
75.00870	9.3
75.63253	0.9
81.03442	1.2
87.04516	1.0
89.02445	3.6
93.03452	0.7
99.00877	5.3
99.04516	11.5
101.02408	1.3
101.61218	0.8
102.51704	0.8
106.15533	0.8
119.05018	22.0
125.02422	4.7
143.03493	9.5
149.85179	1.0
161.04536	9.5
163.04005	60.2
179.05617	100.0
193.05040	1.6
234.75446	0.9
311.11441	1.6
325.09335	86.1
413.14566	11.0
461.18112	1.0
491.18890	3.9
562.11066	1.1
695.17914	1.2
739.29083	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	739.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
69.03463	1.2
71.01381	27.7
72.99310	1.0
73.02946	55.0
79.58017	0.9
81.83992	0.8
83.01389	11.7
85.02950	4.6
87.00876	1.4
89.02440	10.2
95.01361	1.1
101.02438	54.5
113.02448	20.0
119.00716	0.9
119.03484	5.3
125.02455	1.5
131.03508	6.0
135.53018	0.9
143.03477	4.7
149.04581	13.5
151.03952	1.2
155.03616	1.2
158.81570	0.9
161.04561	23.3
168.46193	0.9
203.05566	2.2
221.06685	22.2
248.32874	0.9
325.12994	1.9
521.82672	1.2
544.84503	1.2
739.26459	1.6
764.47583	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04551	0.4
57.03454	0.5
58.18394	0.4
59.01376	0.9
60.99314	9.9
61.33603	0.4
66.62148	0.5
71.01372	2.4
87.00883	3.8
88.00406	0.6
88.98799	100.0
89.02433	9.2
101.02418	1.0
110.86774	0.6
111.46613	0.5
113.02467	1.0
115.85900	0.4
136.35347	0.5
162.73997	0.5
180.07918	0.6
245.45555	0.6
341.23300	1.3
354.51892	0.5
402.07779	0.5
415.14581	0.7
695.42896	0.7
739.38342	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	739.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91532	1.2
56.44910	1.1
59.01379	36.7
62.64041	1.1
71.01376	18.9
73.02969	2.5
75.07981	1.4
83.01388	1.7
85.02953	3.4
87.00893	3.0
89.02438	29.3
95.01400	1.6
97.02933	2.4
101.02444	20.9
113.02442	9.9
116.92865	1.8
119.03491	7.9
120.15266	1.3
121.41254	1.3
125.02452	5.5
143.03537	5.3
160.56018	1.4
161.04558	1.8
164.29443	1.3
167.12265	1.6
179.05482	1.3
183.13916	3.3
215.48953	1.5
235.08244	5.4
255.23305	1.7
281.24884	100.0
293.21341	1.7
370.66000	1.5
397.13550	66.8
406.55060	1.5
415.14734	20.6
452.56329	1.4
544.41656	1.7
617.83173	1.6
679.39270	44.5
739.42651	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	739.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30823	0.6
54.65119	0.6
55.30223	0.6
59.01099	1.5
59.01382	27.4
64.08416	0.6
70.60647	0.7
71.01382	15.5
72.24658	0.7
73.02930	3.6
75.86801	0.6
81.03469	0.9
83.01392	1.5
85.02946	1.7
85.76561	0.7
87.00865	4.6
89.01878	0.8
89.02441	24.8
95.01405	0.7
97.02937	3.0
99.00891	1.1
101.02441	23.1
113.02443	9.0
116.92833	1.3
119.03474	4.9
125.02422	6.8
143.03502	3.0
157.89906	0.7
159.38606	0.8
161.04549	4.5
174.15353	0.8
179.05652	1.1
221.06667	1.7
235.08257	6.3
253.09174	1.2
281.24872	100.0
287.07733	1.1
397.13547	84.0
415.14560	22.2
679.39301	52.3
679.47992	1.0
739.41608	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	739.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43246	0.6
56.78967	0.6
57.03418	0.7
57.04628	0.6
58.52773	0.6
59.01384	100.0
68.90419	0.9
71.01384	20.3
73.02946	6.0
83.01374	1.7
85.02950	10.7
87.04514	1.1
88.45987	0.9
95.01374	3.0
99.00865	3.7
101.02441	13.9
113.02453	10.2
134.03716	0.9
143.03557	1.0
149.06039	1.7
161.04538	4.9
254.74495	0.9
267.08795	1.8
320.46387	0.9
327.21851	0.9
397.31216	0.9
415.32407	7.4
432.88263	0.9
443.65692	0.8
475.34012	1.3
489.36026	4.7
491.37335	10.7
559.81140	0.9
635.31152	1.1
635.41754	46.4
653.42993	14.1
695.43896	59.2
758.21521	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14417	1.0
57.03426	1.1
59.01383	100.0
71.01373	13.8
73.02943	5.3
85.02937	6.9
89.02441	1.9
95.01367	1.1
101.02447	11.7
113.02424	13.1
138.72687	1.0
161.04585	2.0
180.87045	1.0
282.41125	1.2
395.87842	1.1
410.01450	1.0
415.32224	2.1
489.35928	2.4
491.37292	8.3
510.12173	1.1
635.41803	30.9
653.42755	7.6
695.43866	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	739.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03472	0.7
58.58602	0.7
59.01375	8.1
59.64984	0.8
64.33885	0.8
67.35976	0.8
71.01383	7.1
72.99316	1.1
75.00887	7.1
77.38891	0.8
85.02951	9.1
87.00854	1.5
89.02454	1.5
95.01318	1.2
99.00868	6.3
103.00351	1.0
113.02443	11.0
115.00376	1.6
122.92408	1.0
129.01921	1.8
137.94534	1.0
140.46791	1.2
165.12819	7.7
166.69618	1.0
183.13905	42.6
279.23303	68.3
379.18790	1.0
431.71185	0.9
457.16177	0.9
468.99292	1.2
739.42792	100.0
755.84753	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4287
Annotation	Timosaponin A-III
Peak:m/z	Relative Intensity
56.57150	0.5
59.01384	100.0
59.39001	0.6
65.44126	0.4
66.22293	0.5
74.43367	0.5
87.04520	1.1
97.06119	0.6
111.55634	0.5
372.52878	0.5
573.42731	0.7
619.38489	3.7
679.40814	20.0
724.46826	0.6
739.43036	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	739.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01139	0.8
59.01382	11.8
71.01382	1.7
87.00858	0.7
89.02428	3.3
101.02428	4.6
109.57694	0.8
111.08188	1.0
113.02394	1.5
116.92853	3.1
119.03490	0.9
121.10240	1.3
146.80597	0.7
161.04462	1.0
165.12852	8.6
168.31628	0.9
171.10251	4.1
174.10950	0.8
183.13905	100.0
195.12259	0.8
195.13908	4.8
209.11853	1.7
223.13394	3.1
227.12891	3.8
253.09230	1.7
275.20157	6.0
288.07532	0.8
293.21237	11.7
300.97806	0.9
429.79108	0.9
455.84772	0.9
739.42853	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	739.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
64.83972	1.3
68.30175	1.1
71.01384	15.7
73.02936	6.1
83.01384	2.9
83.85212	1.2
85.02952	9.8
87.00871	1.5
89.02452	1.8
99.00899	1.3
99.04538	1.4
101.02419	13.1
113.02464	9.0
161.04564	2.4
176.48062	1.5
183.13855	2.0
224.57040	1.6
268.87027	1.2
341.23676	1.9
373.26309	1.5
394.40051	1.4
411.22238	1.3
414.09317	1.4
491.37515	1.5
635.41785	22.0
653.42493	3.0
695.31744	2.2
695.43811	54.0
739.38580	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	739.4291
Annotation	Timosaponin A-III
Peak:m/z	Relative Intensity
59.01381	27.8
71.01374	13.7
85.02950	1.5
89.01882	0.8
89.02437	23.8
95.01365	0.6
101.02435	11.7
108.26121	0.6
113.02433	8.5
119.03493	8.6
143.03549	0.7
161.04512	0.9
175.56659	0.6
179.05542	4.7
192.07739	0.6
383.96609	0.8
557.66663	0.6
683.47040	0.7
693.42316	100.0
739.42999	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	739.465
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61064	0.3
57.03450	2.7
59.01382	100.0
60.83885	0.3
60.95356	0.4
71.01382	3.9
73.02972	0.9
83.01392	0.8
85.02959	2.4
89.02458	0.9
99.04527	1.0
101.02428	4.7
107.25134	0.4
113.02442	3.0
125.02454	0.9
161.04620	0.5
236.31731	0.4
298.58868	0.4
557.00677	0.5
595.37183	8.1
619.42108	7.7
637.44537	0.9
679.44275	7.6
693.42566	0.6
695.43195	0.6
739.43225	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	739.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
71.01382	1.3
73.53102	0.4
77.23126	0.6
85.02954	1.0
88.51884	0.6
92.23177	0.6
95.99672	0.4
101.02436	1.2
104.03622	0.5
113.02409	0.7
116.39983	0.5
154.51694	0.7
220.69890	0.6
220.77219	0.6
242.95464	0.5
505.07043	0.6
555.31665	0.5
619.42334	7.2
637.44342	0.8
679.44165	9.5
739.46997	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	740.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.8
61.98833	100.0
71.01379	1.0
78.98695	0.8
83.61201	0.8
89.02445	1.4
93.91926	1.0
95.09930	0.9
95.31667	1.0
101.02484	1.3
110.97220	0.9
169.99005	0.8
180.59114	1.0
181.58739	0.9
279.23511	2.2
280.23532	4.2
311.73889	0.9
337.58624	1.0
399.13995	2.2
680.38416	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	740.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37982	0.4
54.46474	0.4
55.18267	0.4
55.55226	0.5
57.62453	0.5
57.94277	0.6
59.01389	6.1
61.98832	100.0
66.48111	0.5
71.01389	0.6
74.41679	0.7
89.02451	1.4
101.02444	0.9
101.70396	0.6
116.92857	0.9
145.38007	0.7
145.39270	0.6
245.91893	0.6
249.82492	0.7
249.98717	0.7
279.23315	2.9
280.23483	4.2
281.23965	1.1
286.64047	0.6
398.13812	1.2
399.14026	3.9
400.14258	3.3
680.38263	2.7
740.37891	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87241	1.4
58.20921	1.8
61.98835	11.9
74.94987	1.8
89.01042	2.2
101.02447	2.2
114.05593	3.7
126.05616	8.2
127.08765	3.7
129.06683	13.2
129.10341	10.4
139.08783	20.3
144.07741	3.7
151.08791	4.1
155.08278	2.7
168.07753	3.0
171.07751	32.6
186.08870	12.8
186.12415	4.4
195.11517	2.0
202.92487	2.1
239.15190	4.4
280.23862	2.7
281.16162	14.8
299.17273	11.2
324.18365	2.4
537.53711	2.0
600.00677	2.3
666.38934	4.1
696.39716	10.4
704.32428	2.7
727.12286	2.2
740.42249	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.9
61.98833	100.0
63.99257	0.8
66.51767	0.4
79.99452	0.4
92.23085	1.0
101.02428	0.5
112.02110	0.5
137.43205	0.5
239.94550	0.5
276.75186	0.4
323.01770	0.5
368.57205	0.5
445.70392	0.5
489.23401	0.5
680.43750	2.0
740.42072	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.424
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.8
60.01723	0.4
61.01805	0.3
61.98834	100.0
71.01383	0.9
74.10597	0.2
80.45758	0.2
89.02438	1.6
92.22480	0.2
101.02451	0.3
113.02444	0.3
142.06192	0.2
154.09932	0.2
179.05533	0.2
454.06140	0.3
478.04669	0.3
678.43591	0.3
679.44067	0.4
680.43799	5.3
740.43170	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98727	0.7
59.01366	0.7
61.98836	100.0
70.12128	0.6
71.05947	0.6
86.12589	0.6
86.15157	0.7
104.29155	0.6
156.13327	0.8
307.94897	0.8
353.16785	0.8
555.21246	0.8
647.69568	0.8
655.81665	0.7
680.50311	3.2
740.49377	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	741.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	13.8
60.81664	1.4
61.98831	100.0
88.92873	1.5
95.22952	1.5
116.40014	1.4
116.92850	6.3
140.98546	1.5
154.27925	1.4
168.43031	1.7
178.92709	1.6
247.30473	1.7
494.15253	2.1
495.16827	18.5
509.17722	2.2
520.15369	6.2
521.15631	30.2
531.16589	1.8
533.15088	2.2
535.16919	5.9
537.19238	2.1
539.16199	9.7
548.17145	2.4
553.17358	25.5
563.19495	2.5
565.17358	30.2
595.19641	14.5
607.18726	8.6
622.22150	3.4
623.22638	21.7
639.21149	30.8
681.23303	12.2
741.25317	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	741.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	1.9
59.01381	89.4
61.03926	1.7
63.22647	2.1
66.12582	1.7
71.01377	56.4
73.02960	2.9
76.76077	1.6
83.01402	2.5
85.02937	11.1
89.01881	3.7
89.02435	100.0
93.77322	1.7
101.02434	34.8
113.02436	32.0
119.03481	35.1
131.03491	2.0
143.03514	4.3
161.04549	11.6
175.04045	2.1
176.11290	2.0
179.05623	54.4
179.13901	1.9
245.09201	2.1
325.66122	2.2
343.21240	9.6
441.23148	2.2
501.17645	36.3
735.73505	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	741.2627
Annotation	Eleutheroside E
Peak:m/z	Relative Intensity
57.03438	4.3
58.00600	1.1
59.01384	90.6
63.79440	1.0
71.01383	50.8
81.13636	1.3
83.29458	1.3
85.02962	7.5
87.00882	2.1
87.98657	1.0
89.02441	100.0
95.01408	1.1
99.00871	1.5
99.04550	1.4
101.02435	36.6
108.02184	2.0
108.59643	1.1
111.06407	1.6
113.02443	27.0
118.84289	1.2
119.03498	35.6
123.04510	13.4
125.02441	2.9
131.03526	2.8
134.03751	1.8
143.03505	5.7
149.04593	1.3
152.01128	1.6
160.05179	1.6
161.04539	7.1
164.03609	1.3
167.03482	5.2
178.48340	1.3
179.05617	55.9
188.04811	2.8
193.05009	5.9
195.74480	1.1
203.07149	19.8
209.06679	1.7
245.81699	1.2
279.06595	2.1
294.09039	7.5
306.08884	2.2
309.11380	17.8
339.12387	16.0
370.83600	1.3
379.15973	2.5
400.56931	1.3
489.17691	14.6
501.17728	67.5
519.18781	91.8
681.23755	2.8
709.30054	1.6
741.20160	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	741.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20180	0.6
57.03427	3.1
57.37009	0.6
57.48771	0.7
59.01378	8.8
59.55857	0.5
60.50854	0.5
61.00435	0.6
63.93232	0.6
68.99803	0.8
69.03456	1.0
71.01378	10.7
72.99297	1.5
73.02943	0.8
75.00877	6.4
79.23464	0.6
83.01379	1.4
83.89195	0.6
85.02943	13.8
87.00861	6.1
89.02427	3.8
91.03967	0.7
92.22568	0.7
95.01377	3.7
99.00861	5.4
101.02412	1.6
103.00359	0.9
111.00791	0.7
111.08127	1.3
113.02441	24.1
113.94136	0.7
115.00333	1.1
116.92851	10.8
117.01891	1.6
129.01944	1.0
152.01088	0.9
157.01376	0.7
157.03738	0.7
165.12842	27.0
167.03484	3.5
168.51369	0.6
181.12407	0.8
183.13901	49.0
205.07181	1.5
209.11812	3.9
209.72246	0.7
227.12901	8.4
241.05867	0.7
249.06111	6.2
263.07788	0.9
267.07202	9.3
281.08636	1.3
298.04718	0.7
300.02637	1.4
415.19879	0.8
479.67035	0.7
553.28424	1.0
577.90961	0.7
697.33344	0.8
741.28192	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62878	0.9
57.03451	29.9
58.02972	4.7
59.01101	1.6
59.01384	35.2
70.02972	7.4
71.01379	4.5
73.02932	2.0
74.02467	36.5
85.02916	1.5
89.02447	2.5
92.22557	1.5
93.94984	1.2
96.70674	1.1
96.95980	1.6
98.02451	9.2
99.04512	35.6
101.02424	8.9
113.02447	4.4
116.03535	22.3
116.05046	7.5
125.02409	13.3
136.07645	1.7
147.65247	1.2
149.04533	1.4
159.09219	1.8
161.04527	2.0
169.20833	1.5
201.10306	6.9
203.08273	74.0
245.09308	100.0
289.08282	7.7
307.17645	2.6
349.18750	14.8
352.16855	1.3
361.15088	1.8
407.22638	4.1
444.65778	1.5
451.21973	72.6
506.99313	1.2
548.07764	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	741.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62878	0.9
57.03451	29.9
58.02972	4.7
59.01101	1.6
59.01384	35.2
70.02972	7.4
71.01379	4.5
73.02932	2.0
74.02467	36.5
85.02916	1.5
89.02447	2.5
92.22557	1.5
93.94984	1.2
96.70674	1.1
96.95980	1.6
98.02451	9.2
99.04512	35.6
101.02424	8.9
113.02447	4.4
116.03535	22.3
116.05046	7.5
125.02409	13.3
136.07645	1.7
147.65247	1.2
149.04533	1.4
159.09219	1.8
161.04527	2.0
169.20833	1.5
201.10306	6.9
203.08273	74.0
245.09308	100.0
289.08282	7.7
307.17645	2.6
349.18750	14.8
352.16855	1.3
361.15088	1.8
407.22638	4.1
444.65778	1.5
451.21973	72.6
506.99313	1.2
548.07764	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	741.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	38.2
59.01378	28.2
71.01379	4.1
73.02939	1.8
74.73666	0.8
83.01408	1.0
85.02956	3.1
89.02481	1.1
92.23133	0.8
99.00885	1.6
99.04513	32.6
101.02430	14.5
110.06124	1.0
113.02436	1.7
122.06096	3.9
125.02435	10.5
145.05351	1.2
157.57452	0.8
159.03055	1.3
160.04034	4.0
161.04646	11.6
189.04320	32.1
193.03804	0.8
220.06104	1.7
221.03419	2.7
221.06953	20.9
231.11346	3.2
235.11858	25.0
243.11307	6.4
253.06047	5.6
255.11357	15.7
262.50845	1.1
267.11414	25.0
277.12918	6.2
283.10825	3.3
285.12418	3.5
299.10394	15.3
311.10428	43.5
317.16034	1.0
329.11438	4.8
331.12949	8.8
343.13031	35.2
358.76065	0.8
361.14072	94.4
379.16113	100.0
605.65649	1.0
701.77277	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84355	0.4
57.03450	0.7
59.01382	100.0
64.31843	0.4
71.01381	10.5
71.77594	0.4
73.02934	4.9
83.01396	1.2
85.02957	6.4
87.00867	0.4
89.02434	1.0
91.15997	0.5
92.23100	0.7
92.71285	0.5
95.01363	0.7
97.02984	0.9
99.00900	2.7
99.04524	0.5
100.64899	0.5
101.02437	12.6
112.79195	0.5
113.02453	8.6
116.92892	0.6
125.02458	0.7
125.66196	0.5
159.03012	1.2
161.04524	3.7
161.23891	0.5
213.00261	0.5
241.17348	0.5
346.99484	0.6
348.10309	0.6
465.19537	0.7
619.42090	10.2
661.43341	48.0
705.42548	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.42
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.5
58.02988	3.1
59.01377	2.1
70.02975	6.3
72.04536	1.7
74.02466	30.4
89.83968	0.4
98.02481	6.1
99.04522	3.0
101.02428	0.8
116.03530	20.0
116.05019	6.9
125.02428	0.6
130.06618	0.7
142.06638	0.8
159.09245	2.3
160.08391	0.4
186.05632	0.6
196.09543	0.4
201.10381	6.9
203.08276	63.8
245.09311	100.0
289.08295	4.3
317.27582	0.5
349.18689	0.8
407.18860	0.8
451.21945	7.1
507.54495	0.4
655.42023	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75444	1.7
59.01387	32.2
61.98829	10.3
71.01370	19.4
73.02959	2.9
87.00858	2.7
89.02438	31.3
91.39648	2.0
96.23026	2.3
97.02956	3.5
101.02444	25.2
113.02435	8.5
116.92845	24.0
119.03486	5.7
125.02451	2.9
143.03500	2.5
156.80049	2.6
161.04564	3.0
221.06679	3.1
235.08228	4.8
283.23450	4.9
283.26437	100.0
350.16977	2.7
365.57352	2.8
397.13574	87.0
415.14618	21.7
681.15228	2.6
681.40656	58.9
741.42072	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	741.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	5.5
61.98819	1.4
71.01385	1.7
73.02937	1.1
78.95908	1.3
89.02433	1.8
101.02441	4.5
113.02410	1.5
116.92833	4.3
145.68304	1.0
165.12825	9.2
183.13904	100.0
183.57866	1.0
195.13969	11.4
227.12883	1.9
253.09309	2.5
277.21729	8.9
295.22794	30.0
300.98199	1.1
461.53467	1.2
741.44543	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	741.444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81981	0.4
57.03434	0.7
59.01380	5.0
64.49087	0.5
71.01380	5.2
71.11861	0.4
72.99297	1.0
75.00871	8.2
85.02947	8.6
87.00871	3.9
89.02422	0.8
92.23059	0.5
95.01392	2.3
99.00878	5.1
99.01424	0.5
103.00388	0.5
108.19514	0.5
108.77258	0.4
111.08156	0.5
113.02444	9.6
115.00354	1.2
116.92846	10.6
117.01974	0.6
129.01947	0.7
165.12834	6.5
170.67059	0.5
175.02464	1.1
183.13910	42.4
209.11838	0.5
226.54295	0.6
227.12759	0.9
249.06120	0.9
281.24881	69.4
285.91574	0.6
679.44836	0.8
741.44446	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67325	0.2
57.85429	0.2
59.01381	4.8
61.98825	0.6
78.62664	0.3
85.82574	0.3
116.68924	0.3
116.92851	3.3
118.19392	0.3
129.19539	0.4
160.77161	0.3
165.12859	0.7
168.55109	0.3
183.13908	100.0
203.48177	0.3
221.62167	0.3
227.12984	0.4
234.69930	0.4
283.26459	0.6
543.20618	0.3
630.60852	0.4
631.10767	0.5
638.47571	0.4
741.49658	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	742.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93900	1.6
56.73362	1.4
59.01386	16.3
60.65783	1.5
72.55011	1.7
116.92799	1.9
148.60953	1.9
175.01668	1.7
304.59442	2.1
315.07910	1.9
425.50870	1.9
466.19040	21.3
468.20251	2.2
478.17908	2.3
484.20215	2.4
493.20538	2.3
494.18524	4.1
495.19302	7.2
507.15540	20.1
509.19446	7.0
510.19385	2.7
521.19348	23.8
522.17627	39.0
536.20459	2.5
538.22302	6.9
539.18188	3.6
549.17865	3.6
553.19806	3.4
554.20697	4.0
564.19958	21.3
582.21246	10.6
596.22699	28.6
624.25714	3.6
742.28510	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	743.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86496	3.6
70.60309	4.8
71.56065	3.6
96.96004	21.3
99.92574	100.0
115.92055	30.0
116.92872	35.9
122.00694	4.8
126.20440	4.2
141.01741	4.6
154.94376	5.3
168.27740	4.5
169.93124	5.2
171.94699	10.4
172.28522	5.1
172.95479	9.0
178.62839	5.0
187.05959	6.0
510.22827	5.9
561.21320	9.7
593.24371	25.9
605.20660	40.0
651.23889	8.7
679.24097	42.9
711.26807	57.0
743.13306	96.4
743.26941	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	743.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57331	3.1
53.83978	2.4
59.01360	7.0
63.43877	2.5
67.66920	2.4
116.92855	6.2
158.83551	3.4
467.20676	3.9
497.17880	3.6
506.16962	12.3
521.19275	25.3
522.16699	74.7
536.18097	37.7
537.19135	5.4
555.18988	5.5
593.21570	28.8
607.23083	20.6
609.24530	12.7
624.23511	100.0
625.24139	7.2
639.25745	15.3
641.22620	30.6
683.24652	32.1
743.26636	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	743.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25949	0.4
54.59105	0.4
55.55275	0.5
58.45348	0.4
62.90327	0.5
71.01389	0.9
79.17260	0.4
93.03442	18.8
101.02468	0.6
108.02194	0.5
113.02473	0.8
123.04485	0.6
137.02446	100.0
137.97147	0.6
145.52882	0.6
152.01105	0.9
167.03485	7.0
195.06653	2.0
216.86292	0.5
250.42307	0.5
261.08844	1.0
263.91425	0.6
299.07758	33.5
335.28760	0.5
436.38440	0.6
443.12460	0.7
581.15381	3.4
743.20648	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	743.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13456	0.5
54.77565	0.6
57.03453	0.8
63.37011	0.6
71.01379	0.9
81.41528	0.7
83.01353	0.7
83.35474	0.7
84.59352	0.6
85.02956	4.4
87.00890	1.4
99.00834	0.8
102.87115	0.7
113.73265	0.8
119.04166	1.3
119.05015	35.7
119.59906	0.7
128.17123	0.7
129.01944	4.0
134.03728	4.0
145.02931	1.4
149.06088	1.1
150.90472	0.8
159.03067	0.7
163.04013	100.0
191.05641	4.3
193.05046	11.8
209.06667	25.9
355.10385	53.1
357.17908	0.8
358.35138	0.9
387.22440	1.0
522.24768	0.8
534.00476	1.0
655.78992	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57318	0.5
57.03242	0.6
57.03450	9.1
59.01372	2.6
60.96085	0.6
67.57314	0.6
71.01374	0.7
73.02947	0.7
83.29951	0.6
85.02945	0.6
99.04517	1.0
101.02426	4.0
105.01926	1.0
113.02414	1.1
117.03450	4.2
125.02437	0.6
134.03740	80.0
149.06073	13.2
160.01616	4.1
161.04529	1.0
175.03984	15.5
178.02690	1.5
179.81888	0.6
191.37041	0.6
193.05069	100.0
291.18457	2.1
291.82443	0.8
375.07620	0.8
423.22546	1.2
567.26392	0.9
599.27124	18.2
641.28278	11.0
670.24500	0.7
681.31879	2.0
743.31396	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	743.335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.3
59.01380	100.0
71.01382	20.5
73.02943	35.7
75.00844	1.3
83.01378	6.2
85.02940	4.2
89.02428	16.6
94.38840	1.0
101.02440	38.6
113.02425	14.5
119.03508	9.8
125.02420	1.5
128.72253	1.2
131.03523	4.3
137.83324	1.1
143.03481	2.1
149.04553	7.7
155.03413	0.9
156.60158	1.1
161.04555	15.6
179.05609	1.2
203.05630	1.9
221.06624	12.3
271.02386	1.1
299.01852	4.1
301.03433	4.4
303.14590	11.1
347.17255	4.2
395.19342	12.3
432.44208	1.2
447.78964	1.1
603.86115	1.3
628.70544	1.2
743.17902	4.3
743.29956	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	743.4598
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.1
59.01390	4.9
68.84234	0.5
71.01392	6.1
72.01678	0.5
72.99300	1.3
75.00873	7.6
85.02957	9.2
87.00871	2.4
89.02439	0.9
92.22506	1.2
95.01369	2.3
99.00865	6.7
103.00346	1.1
109.06244	0.5
111.08143	0.6
113.02452	9.4
115.00352	1.1
115.92082	0.9
117.01910	1.0
133.56213	0.7
165.12843	8.3
175.02441	0.7
183.13911	43.7
227.12820	0.9
283.26459	64.8
357.60834	0.6
372.68326	0.7
458.70700	0.7
580.09131	0.7
608.00348	0.8
681.46277	0.9
743.46033	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.7
59.01384	35.8
71.01381	23.2
85.02949	3.2
85.49197	1.2
89.02438	28.4
101.02445	15.3
113.02435	10.5
113.33326	1.4
119.03534	9.8
122.03732	3.3
129.22610	1.4
135.04526	5.5
136.01689	5.5
149.02429	11.5
150.03220	57.0
151.04002	21.5
161.04549	3.3
164.04822	9.2
165.05563	100.0
166.02721	3.1
175.04073	2.6
179.05612	12.8
180.04279	7.6
181.05067	20.2
190.06357	9.7
195.06638	23.7
196.06601	1.4
206.44330	1.5
218.49580	1.5
224.19676	1.4
315.08566	2.5
323.09146	5.4
324.10254	2.8
326.11603	1.6
326.32632	1.5
327.86655	1.5
339.08698	15.4
354.10968	3.1
357.09726	2.0
357.13733	5.2
369.13443	14.2
372.12512	1.7
387.14453	17.5
490.16718	1.7
505.18646	3.3
535.19708	21.9
565.21112	1.5
583.21918	93.7
601.14368	2.5
685.41193	5.4
743.33386	1.6
745.28534	14.4
777.43152	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	745.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.6
59.01384	2.5
71.01385	1.2
72.55740	0.5
75.00874	4.6
85.02953	4.6
87.00867	1.1
89.02427	1.0
99.00872	4.1
107.67145	0.5
119.05019	26.3
129.01942	10.7
135.04504	0.8
159.03026	0.6
163.04012	100.0
177.04111	4.9
195.05116	64.0
209.51767	0.5
341.08795	63.0
381.30615	0.5
611.64508	0.6
702.61926	0.6
725.09729	0.6
745.24976	0.8
755.56512	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.8
59.01381	3.2
71.01379	4.9
72.99314	3.6
73.02964	0.8
75.00865	8.0
85.02946	9.2
87.00858	1.7
87.97835	0.8
89.02439	3.1
99.00880	8.4
101.02462	1.3
119.05019	22.9
129.01932	23.6
134.03778	1.8
139.15424	0.7
159.03049	1.3
163.04010	76.6
165.04144	0.8
165.05650	1.1
168.00769	1.1
170.44159	0.8
175.08772	1.0
177.04079	9.2
178.30887	0.7
192.87779	0.8
193.05042	6.8
195.05116	66.6
222.82008	0.9
241.93828	0.7
261.08835	4.7
262.09229	1.1
325.09344	0.9
341.08798	100.0
356.52353	0.9
367.88812	0.8
393.13000	1.7
488.25879	0.8
589.12671	0.8
727.34021	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4344
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
65.70204	0.3
82.64075	0.4
92.13301	0.4
92.23112	0.5
94.25870	0.4
107.32765	0.4
129.15938	0.4
154.54640	0.4
160.64214	0.4
227.21521	0.4
498.86612	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.253
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97555	0.9
59.01380	51.6
69.59150	0.6
84.02486	0.6
89.03313	0.7
106.31113	0.8
124.74880	0.7
154.42480	0.7
154.45520	0.8
232.78952	0.7
455.17450	1.8
468.94125	0.8
473.18805	6.6
474.56812	0.8
496.13977	3.2
511.16248	1.0
512.13611	16.3
525.14246	1.0
526.15063	20.8
527.16034	1.4
569.17017	1.7
599.18176	3.7
601.19525	1.1
613.19318	3.7
614.20288	36.4
687.23224	1.0
716.09137	0.9
747.25269	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24327	2.6
59.01386	25.8
89.74430	3.3
359.67560	3.4
469.18414	4.8
495.16711	16.1
497.21835	13.0
499.16589	6.7
513.18079	3.8
523.16626	25.3
526.14984	32.4
527.17871	5.9
528.20410	3.2
539.15228	3.9
554.15027	3.3
569.17200	4.6
570.13873	16.5
596.19312	30.5
597.19714	14.7
598.16998	4.6
599.19122	6.0
601.23218	42.2
612.18829	35.4
614.20599	5.3
627.20795	6.9
631.24640	5.4
655.20294	27.7
672.21014	61.8
684.01385	3.9
687.23193	56.3
698.66168	4.1
747.25433	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	749.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58696	0.4
57.03443	1.2
59.01381	10.8
68.85161	0.5
71.01373	13.3
72.99294	1.3
75.00868	8.4
84.46389	0.6
85.02940	16.6
85.86025	0.6
87.00856	6.6
89.02447	5.5
92.22543	0.8
95.01356	5.5
99.00864	8.6
101.02393	0.9
103.00359	2.8
111.00871	0.6
113.01653	1.2
113.02437	36.6
115.00336	2.3
117.01897	1.2
129.01906	2.4
131.03474	2.4
141.28638	0.7
161.13361	10.8
174.61967	0.6
175.02477	2.9
187.11282	8.8
205.07188	1.3
205.12323	5.8
207.05014	2.4
213.09134	0.9
215.57355	0.7
231.05037	1.1
249.06169	10.0
254.25833	0.7
267.04453	1.2
267.07214	33.2
270.09067	0.8
481.16904	0.9
555.69507	0.7
626.37787	0.7
678.66296	0.7
749.25116	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46103	0.6
57.03450	3.2
59.01380	5.0
68.07323	0.6
69.03448	1.0
71.01378	3.6
71.08311	0.6
72.21190	0.6
72.99306	1.5
73.02946	0.6
83.01379	0.8
85.02943	17.4
87.00867	5.1
87.04496	1.6
89.02451	1.4
89.95515	0.6
92.22765	2.7
97.02949	4.0
99.00882	5.4
101.02437	4.2
111.00872	2.8
113.02435	3.0
115.03983	3.0
119.05017	24.5
119.47115	0.7
129.01935	17.0
139.11292	0.8
141.01892	2.5
145.02953	3.4
146.25604	0.7
159.02972	4.2
163.04012	60.9
191.05585	6.4
209.06682	65.1
260.27750	0.7
273.38248	0.7
355.10388	100.0
363.16641	16.4
393.06030	1.0
613.33020	0.7
714.93555	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	87.6
65.28753	2.0
71.01380	35.5
73.02942	32.7
83.01394	9.8
85.02933	14.7
89.02436	22.7
95.01389	2.8
101.02441	43.4
107.42973	2.5
113.02445	25.2
114.31342	2.0
119.03481	11.4
161.04553	4.0
184.47182	2.4
185.68843	2.1
308.70422	2.4
333.14291	2.2
357.26596	3.8
465.30066	10.3
609.34314	2.5
627.35333	13.9
629.36884	17.3
645.36328	9.3
677.38611	10.4
687.37653	100.0
689.39136	21.4
705.37695	11.0
726.82513	2.8
749.44598	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	749.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11648	0.9
58.26196	0.8
58.60221	0.8
59.01381	60.9
59.25500	0.7
71.01374	19.7
73.02921	1.8
85.02938	5.7
89.02444	28.7
95.01356	1.8
101.02428	14.3
103.24500	1.0
113.02378	8.1
116.92833	1.9
119.03471	10.2
127.01484	4.0
161.04575	1.8
179.05594	4.0
251.52094	1.0
353.21387	8.4
357.87817	1.0
461.30688	1.1
479.31332	1.5
641.37177	8.9
671.38934	1.5
689.39178	100.0
749.27051	4.6
749.45441	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	749.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.83132	1.4
62.50046	1.3
83.01379	1.9
280.75397	1.7
288.15222	1.6
316.63812	1.8
465.10544	1.6
663.41119	5.4
705.42365	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	749.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12588	1.1
59.01382	100.0
61.23453	1.3
66.10069	1.3
71.01381	10.9
74.59440	1.4
89.02434	14.6
90.00531	1.3
91.97757	1.4
92.22562	2.3
101.02431	6.2
113.02432	5.8
119.03477	8.5
165.12865	1.7
179.05592	7.9
229.93265	1.3
241.24271	1.6
242.17476	1.7
256.77203	1.6
290.08038	1.6
332.26797	1.4
349.56479	1.4
629.36755	25.1
630.46106	1.6
689.39148	43.8
719.30951	1.9
734.24878	2.0
743.27448	2.0
749.24597	2.0
749.43811	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	750.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49947	0.6
56.81512	0.6
59.01100	1.1
59.01380	22.1
60.01717	1.1
61.98830	100.0
73.76463	0.5
80.54688	0.6
89.80986	0.6
143.75067	0.7
306.45203	0.7
458.17487	0.8
475.17447	0.8
476.18451	0.9
505.82861	0.8
513.15277	0.7
514.13654	3.2
515.13556	3.9
528.14880	2.6
529.15430	5.9
615.19952	1.3
616.20270	4.0
617.20538	13.1
750.24622	64.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	25.2
61.98831	100.0
79.32262	2.0
119.90963	2.2
123.29391	2.0
204.70454	2.1
251.01208	2.2
363.63058	2.3
525.46436	2.5
529.15631	3.5
616.20447	2.8
617.20270	5.0
750.24719	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	751.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88850	0.3
55.30875	0.4
55.77829	0.4
59.01366	0.9
59.29390	0.4
63.50899	0.5
71.01394	0.5
84.24053	0.5
86.86731	0.4
93.03432	0.8
125.99229	0.4
136.65160	0.4
138.21132	0.4
138.97211	0.5
165.01923	19.3
165.05551	0.6
240.04378	3.6
243.06587	0.6
255.02980	1.8
255.06682	1.0
256.03781	0.6
271.06146	18.8
271.09009	0.9
283.02515	13.8
283.05701	0.9
284.03320	9.2
297.04102	2.6
298.01453	0.8
298.04849	34.7
299.05637	100.0
341.06750	2.5
443.09940	0.7
503.12042	54.9
538.81384	0.5
545.05859	0.6
545.12915	3.2
635.88501	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	5.7
59.01380	3.8
71.01387	0.9
72.99307	0.5
75.00879	0.4
85.02939	5.7
87.00863	1.0
89.02440	0.7
90.54561	0.4
97.02940	0.4
97.79337	0.4
99.00867	1.0
99.04507	5.6
101.02431	2.5
101.63764	0.5
105.34221	0.4
107.24529	0.5
119.05016	36.1
125.02467	1.8
129.01892	4.6
134.03725	1.7
134.12834	0.4
134.70905	0.4
145.02992	0.5
159.02985	2.5
161.04565	0.9
163.04008	100.0
175.05157	0.5
177.04179	0.5
179.05598	1.8
188.08237	0.4
189.36232	0.5
191.05638	4.7
193.05061	5.1
195.05135	0.6
209.06685	29.9
219.58311	0.4
251.11372	1.0
293.12372	0.6
321.76633	0.4
341.08667	1.8
352.11386	0.7
355.10382	54.0
395.15692	11.3
701.84106	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70259	0.5
54.80710	0.5
59.01382	1.3
70.78476	0.7
72.53841	0.5
75.00871	5.2
85.02943	5.2
87.00868	1.4
99.00875	3.4
105.23621	0.6
105.66991	0.7
119.05014	25.4
129.01933	10.3
135.04507	2.7
145.02917	0.9
159.02971	1.3
163.04007	100.0
177.04013	5.7
195.05110	56.6
221.70934	0.6
244.72453	0.6
322.09467	0.6
341.08786	63.2
345.45618	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10217	0.6
59.01380	1.6
59.43800	0.5
66.79999	0.6
67.31591	0.5
71.01369	1.1
72.99312	4.2
75.00867	100.0
89.02446	3.0
99.04505	0.9
101.02445	1.0
116.92843	1.5
125.94824	0.6
146.02812	0.6
224.98784	0.7
277.21771	5.1
397.13644	8.6
415.14728	3.0
563.19293	0.7
675.36328	7.0
704.92017	0.7
751.26147	3.4
751.38336	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79862	1.2
57.03453	57.1
59.01381	90.8
66.58044	1.2
68.70994	1.2
70.87520	1.3
71.01379	22.4
71.18623	1.3
73.02947	18.2
78.56743	1.3
83.01394	10.7
85.02935	13.1
89.02443	3.2
93.07082	5.8
95.01364	3.5
96.96005	1.9
97.02972	1.3
98.45805	1.4
99.00867	2.9
99.04514	30.4
101.02441	35.8
113.02451	22.3
119.03569	1.7
122.16724	1.6
125.02445	20.5
131.03401	1.7
143.03506	5.2
144.00159	1.7
145.30389	1.7
161.04590	10.2
171.13913	18.6
211.17107	2.8
220.44519	1.7
221.06668	3.5
263.58884	1.3
312.66635	1.6
315.18127	15.8
333.19391	5.0
355.21436	2.9
403.51849	1.5
485.31525	8.8
503.32285	47.2
521.33484	3.0
545.33331	26.3
563.34460	86.3
605.35535	17.1
635.56360	1.6
643.68066	1.6
691.40320	6.1
707.38702	100.0
751.38379	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	751.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	36.7
57.58885	1.4
59.01383	100.0
71.01373	21.3
73.02946	10.7
82.86101	1.6
83.01391	7.9
85.02946	12.1
87.00861	1.6
87.85297	1.5
89.02434	9.8
93.07110	2.9
99.00876	2.2
99.04511	20.2
101.02435	26.2
107.76056	2.0
113.02419	17.6
125.02417	11.6
143.03503	3.1
161.04553	6.4
179.84370	2.0
179.85913	1.9
185.15517	2.7
202.91090	1.6
229.18150	13.1
237.83801	1.6
255.25082	1.9
373.22641	1.7
391.23480	2.8
485.31146	8.9
503.32214	28.7
521.33484	3.7
545.33301	11.7
563.34442	58.1
605.35297	11.3
631.39276	13.9
649.39685	3.3
691.40698	33.2
707.38873	49.3
751.37708	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	751.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
62.01244	0.9
71.01376	42.2
71.05007	2.0
73.02934	4.5
81.03475	1.8
83.01396	2.4
85.02935	7.4
86.59542	0.9
87.00867	4.6
89.02438	61.7
92.22450	1.2
95.01379	2.0
97.02931	2.3
99.00849	1.2
101.02436	42.1
101.62072	1.3
113.02437	22.7
119.03494	20.2
125.02409	8.6
133.05083	1.3
143.03522	5.1
154.90184	1.1
161.04532	8.3
178.46584	0.9
179.05580	13.2
209.15471	1.3
221.06697	1.6
221.15558	1.4
223.17023	4.6
235.08279	5.5
235.17036	23.8
253.09300	2.3
254.94154	1.0
275.20221	22.2
293.21243	54.6
305.08719	1.6
397.13522	76.4
415.14584	31.6
473.36502	1.0
673.34119	1.3
691.41669	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	751.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.4
59.01382	68.9
60.17861	1.2
62.58926	1.1
65.76328	1.2
71.01376	38.6
73.02947	3.1
81.03469	1.8
83.01380	3.2
85.02935	7.2
87.00854	7.4
89.02441	39.4
95.01393	1.3
97.02962	2.5
99.00864	2.9
101.02438	35.0
109.09624	1.3
113.02422	19.0
119.03490	7.0
125.02454	9.8
131.03564	1.5
143.03471	2.1
161.04572	5.0
179.05698	4.7
209.15536	1.9
223.16974	3.1
235.08231	8.4
235.17036	32.5
275.20169	29.4
293.21243	70.9
295.16132	1.5
300.56952	1.9
397.13528	100.0
415.14520	37.6
649.43616	1.9
673.34277	1.9
691.34180	43.7
777.84106	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	751.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.7
59.01382	45.0
59.10941	1.5
62.76676	1.4
63.20417	1.3
63.29971	1.4
69.03455	1.8
71.01376	28.7
73.01968	1.6
73.02940	4.2
74.35026	1.6
83.01382	2.2
85.02942	8.1
87.00869	5.9
89.02435	36.7
97.02962	3.0
101.02440	35.2
113.02438	15.7
113.09744	3.3
115.56519	1.5
119.03491	6.4
121.10218	12.1
125.02419	11.5
143.03534	2.2
161.03268	1.9
161.04533	4.1
171.10225	17.7
179.05582	2.6
180.83836	1.7
183.13892	7.9
185.11826	2.2
195.13863	2.3
221.06792	1.9
235.08179	9.3
275.20145	20.0
282.33115	1.7
293.21246	99.8
305.08624	2.3
307.18033	1.8
351.45044	1.7
397.13559	100.0
415.14645	38.2
587.40820	2.2
691.23468	2.5
691.35364	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	751.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	15.7
61.65171	0.9
70.33844	0.7
71.01384	11.0
73.02935	1.2
83.01382	0.9
85.02951	1.0
87.00867	1.0
89.02438	15.4
99.00861	1.5
101.02435	14.2
113.02445	6.4
113.09743	5.9
119.03446	1.0
124.64733	0.8
125.02433	2.0
134.66556	1.0
161.04501	0.9
167.10704	1.2
179.05510	1.3
179.10818	1.0
185.11845	2.0
195.13965	1.0
235.08234	2.1
293.21268	100.0
391.86966	1.0
397.13623	25.2
404.26004	1.0
415.14716	8.0
691.35486	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	751.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	0.6
59.01386	15.3
71.01371	10.3
73.02949	1.0
80.71030	0.7
83.01379	0.8
85.02956	1.3
87.00877	15.6
89.02435	14.3
94.17580	0.6
97.02959	1.1
101.02429	12.2
113.02456	4.9
113.09732	0.9
119.03494	3.4
120.06320	0.6
125.02427	4.5
125.09689	1.5
128.00626	0.6
133.05106	0.8
142.69623	0.7
143.03450	1.1
149.09692	1.0
161.04539	2.9
185.11832	8.4
197.11868	1.2
221.06552	0.8
235.08238	1.0
240.16734	0.7
250.11220	0.6
287.07373	0.7
293.21255	100.0
312.73218	0.7
332.26804	0.7
375.77396	1.0
397.13510	22.1
407.21744	0.7
415.14444	7.2
592.65564	0.8
672.88593	0.7
691.35559	48.9
720.68188	0.8
751.43451	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	12.7
59.01100	4.7
59.01382	99.6
71.01382	53.4
73.02940	18.7
83.01385	6.0
85.02947	14.6
87.00869	4.7
89.02435	58.1
89.06779	2.3
95.01336	3.1
97.02936	10.4
99.00893	4.1
99.04510	4.0
101.02439	68.0
108.20825	2.6
113.02433	33.3
119.03499	6.3
125.02422	10.4
143.03540	5.5
161.04547	14.3
171.10254	3.8
181.95226	2.4
221.06760	5.7
231.21179	3.5
235.08199	6.2
235.17046	79.5
253.06355	2.5
275.20215	100.0
283.02557	2.7
293.21277	98.6
363.80069	2.9
397.13544	98.4
415.14526	52.2
607.37091	13.7
631.38818	6.0
633.31171	10.9
673.34882	25.9
691.34814	85.0
751.41907	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	751.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40229	0.9
57.03451	1.6
59.01385	73.1
61.47748	1.0
70.52219	1.0
71.01376	22.6
73.02941	7.3
77.25954	1.2
77.26379	1.1
83.01388	2.5
85.02956	4.7
87.00871	2.6
89.02435	22.8
91.13400	1.1
97.02937	1.4
99.04485	1.8
101.02444	29.6
113.02441	15.5
115.04028	1.7
116.92844	2.3
119.03467	5.6
125.02418	4.5
125.11289	1.1
128.75995	1.2
139.76010	1.2
140.33650	1.3
143.03490	4.6
161.04509	6.1
171.10318	1.4
179.05542	1.2
195.13905	16.6
197.26727	1.2
223.13402	10.7
235.08214	1.8
275.20050	12.3
293.21262	100.0
329.23572	2.0
397.13565	23.3
415.14651	37.0
607.37219	7.0
631.38672	1.5
649.39050	1.5
667.85040	1.3
691.34662	54.0
751.42212	25.8
767.44946	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	751.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02318	2.3
59.01104	4.2
59.01384	100.0
69.89532	2.5
71.01371	40.9
73.02936	22.4
77.10109	2.5
79.72971	2.8
83.01386	3.5
85.02943	18.0
87.00842	3.9
89.02438	21.9
91.36144	2.8
97.02922	4.2
99.00878	3.2
101.02422	34.2
110.82825	3.3
113.02435	30.8
114.93412	5.1
115.04019	3.8
119.03506	3.3
123.92083	2.6
125.02399	5.9
125.50663	3.1
161.04575	5.9
174.91588	2.7
198.23294	3.0
255.95932	2.8
262.87549	3.4
270.45062	3.3
467.31207	6.2
485.32840	44.0
503.31985	4.6
543.31677	7.0
561.33020	15.0
603.34247	30.6
621.35107	25.9
629.37097	25.7
647.38269	56.6
663.36230	20.6
665.38434	3.2
691.40466	6.9
707.40033	37.5
730.10193	3.4
739.07745	3.9
743.53253	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	751.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00636	0.8
53.23692	1.0
54.92197	1.0
57.03446	1.0
59.01385	75.3
61.23045	0.8
62.15208	0.9
66.65089	1.1
67.73314	0.9
69.15923	0.9
71.01384	30.9
73.02943	32.3
75.00917	1.3
80.38327	0.8
83.01394	6.8
85.02938	13.0
87.00865	1.2
87.56015	1.0
89.02439	22.1
90.20486	1.2
95.01392	4.6
101.01767	1.7
101.02440	33.2
103.90487	1.1
113.02434	32.1
119.03496	7.9
121.06633	2.0
125.02557	1.0
131.03523	1.6
138.05710	1.0
143.03493	1.9
149.04482	1.0
161.04602	7.2
179.05679	1.5
275.16586	16.1
595.83398	1.2
647.38184	54.6
665.38873	10.0
707.40271	100.0
714.90717	1.3
751.28552	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	751.428
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
59.09746	0.4
67.64500	0.5
71.01375	5.0
72.03682	0.5
73.02943	8.5
79.49351	0.5
83.01387	0.8
85.02946	0.6
89.02466	3.5
91.41200	0.4
93.34408	0.5
99.43446	0.5
101.02441	7.3
113.02441	3.8
119.03530	0.7
161.04533	1.0
221.06622	0.5
283.28391	0.6
350.41879	0.6
631.38409	2.7
649.39484	3.2
655.58289	0.6
691.40680	46.9
751.42749	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	751.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80013	1.0
57.30788	1.3
58.88872	1.4
59.01381	72.4
60.47003	1.3
71.01370	26.2
85.02943	7.1
89.02439	36.1
101.02433	17.6
113.02444	12.2
119.03501	12.6
133.61012	1.3
140.08693	1.3
143.03502	1.4
149.50722	1.6
162.27876	1.3
169.49548	1.5
179.05600	10.5
293.21344	1.4
311.21698	1.8
357.73087	1.6
359.54895	1.5
377.02371	1.7
589.21820	1.6
691.40717	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06463	0.4
57.03440	0.8
58.45168	0.4
59.01381	100.0
60.01409	0.4
71.01380	4.0
73.02949	2.3
73.52141	0.4
85.02959	2.9
95.01385	0.5
96.48818	0.4
96.96002	0.7
98.95581	1.0
101.02456	3.9
103.00369	1.8
113.02448	2.8
119.03510	0.8
124.09645	0.5
142.64651	0.5
161.04625	0.9
167.86031	0.5
171.10242	0.9
254.63556	0.6
327.21729	1.2
405.20667	0.5
603.34589	1.0
631.38702	3.1
649.39917	1.1
691.40808	8.6
707.39935	1.0
751.43146	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	751.4284
Annotation	CHEBI:69156
Peak:m/z	Relative Intensity
58.36958	1.0
59.01385	97.2
59.80774	1.0
60.82169	1.0
63.73767	1.0
71.01382	30.1
72.99302	2.3
73.02940	1.3
83.01401	1.3
85.02938	6.9
87.00864	1.4
89.02444	49.3
95.01359	1.9
98.53674	1.1
101.02450	21.5
109.87650	1.1
113.02438	15.0
117.28065	1.3
119.03507	18.5
143.03540	1.5
151.07736	1.2
161.04471	2.3
179.05597	18.5
235.17130	5.0
275.17279	1.3
275.20218	4.9
293.21201	9.0
397.13455	13.5
403.89697	1.3
415.14722	2.8
427.19693	1.3
489.72308	1.4
518.63580	1.6
523.74188	1.3
601.08282	1.3
691.40833	100.0
743.27893	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	751.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.07393	1.1
67.92593	1.2
71.01363	5.6
73.02934	2.5
84.31400	1.1
89.02447	1.9
97.22852	1.2
101.02447	2.9
101.68056	1.4
108.51381	1.2
113.02415	3.2
118.64922	1.2
122.35852	1.2
125.46340	1.4
128.42764	1.2
132.89203	1.3
186.30725	1.3
244.21040	1.4
691.40717	45.6
751.42755	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	752.4877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.0
78.95899	14.3
92.34936	0.9
105.16241	0.8
116.92896	1.3
121.78885	1.1
131.17722	0.9
138.07249	0.9
146.91745	1.2
152.99574	31.3
171.00595	1.3
171.10294	3.8
182.11014	0.9
188.77814	1.0
235.17014	5.2
273.59540	1.0
274.73181	1.1
275.20157	6.3
277.21811	5.5
279.23322	55.4
293.21213	8.9
752.48804	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.3
59.01382	26.9
61.45641	0.8
62.17960	1.0
64.75956	1.1
68.43351	0.9
71.01381	19.9
73.02934	4.0
73.45702	1.0
75.00861	7.3
78.02306	1.0
83.01390	4.4
85.02965	8.0
87.00854	6.3
89.02433	12.9
97.02923	1.6
99.00864	10.0
101.02439	11.2
113.02439	9.6
119.03513	3.2
119.05014	20.9
129.01927	10.2
131.03516	1.0
135.04501	1.0
143.03532	1.1
145.02962	7.6
155.03424	1.0
159.02954	1.2
161.04697	1.5
161.06070	6.9
161.09709	3.7
163.04018	41.9
177.04022	10.8
178.02730	1.1
179.03499	1.5
187.11295	4.5
189.09229	2.0
193.05096	1.2
195.05098	9.1
205.05011	5.2
205.12352	1.2
229.12215	1.5
649.37982	11.1
667.39276	5.7
709.40381	25.6
735.25592	2.1
753.26154	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	753.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16410	0.7
57.03450	7.6
58.38577	0.8
59.01384	100.0
60.01722	6.7
61.01802	3.7
71.01379	18.4
73.02941	17.7
73.39968	0.8
83.01382	2.2
85.02943	6.7
89.02449	12.3
90.76736	0.8
93.59941	1.0
95.01382	1.4
97.02936	0.9
99.04508	6.8
99.50214	0.8
101.02440	22.8
102.02750	0.9
113.02441	17.3
114.02792	1.4
119.03492	2.1
125.02444	5.8
133.14958	0.9
143.03522	1.3
149.04546	1.7
161.04544	4.0
249.46397	0.9
343.28610	1.1
361.29648	1.5
487.32642	1.7
505.33850	12.4
523.34686	1.3
547.35272	2.3
565.35999	12.9
631.37549	1.0
632.38788	1.2
633.39374	14.3
649.38507	5.0
650.39948	1.1
651.40289	10.0
667.38831	1.3
692.40863	2.1
693.41388	61.5
709.40344	28.3
753.40607	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	753.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.9
59.01383	73.4
59.08022	0.6
61.25397	0.7
66.63652	0.8
71.01378	37.0
73.02952	7.8
75.08847	0.9
83.01385	4.1
85.02945	13.3
87.00874	3.6
89.02438	34.5
89.02955	1.7
91.26959	0.8
95.01395	4.4
99.00883	3.7
99.04498	1.2
101.02445	25.1
111.00887	1.1
113.02448	32.5
119.03487	12.1
119.70329	1.0
125.02449	1.0
131.03441	1.2
149.42821	0.9
161.04544	2.0
163.04001	1.1
209.15575	1.2
229.18068	1.0
232.52365	0.9
269.56415	1.1
326.33374	1.2
329.63626	1.0
421.30078	1.2
505.33929	1.4
565.36090	1.6
602.58496	1.2
649.38153	36.0
649.48932	1.2
667.39246	20.8
709.40320	100.0
753.26257	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	753.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.0
57.03444	3.7
59.01385	64.2
71.01382	36.2
72.99292	1.2
73.02944	12.3
74.62650	0.6
75.00853	1.0
83.01393	4.1
85.02950	14.6
87.00867	1.2
89.02437	31.0
92.11877	0.7
95.01367	4.4
97.02906	1.2
99.00891	1.7
101.00372	0.7
101.02444	31.5
101.15920	0.7
106.41064	0.7
111.00890	0.9
113.02445	30.3
119.03499	13.2
125.02415	3.0
129.01929	0.7
131.03470	0.9
143.03430	1.2
159.03033	1.0
161.04543	3.3
163.03993	1.1
179.03458	0.9
179.05705	0.8
179.91528	0.8
211.13408	0.7
229.18121	1.6
238.90979	0.7
245.96222	0.8
279.66492	0.7
317.66080	0.9
343.21255	3.3
391.23364	0.9
487.32593	1.4
505.33643	1.2
565.27979	1.0
565.36316	1.0
649.38214	31.4
667.39233	17.9
693.41443	1.1
709.40332	100.0
753.25421	2.7
753.38342	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.4
59.01104	3.6
59.01384	73.2
60.19266	1.7
63.55875	1.4
65.82650	1.7
71.01382	44.2
73.02948	14.5
73.37784	1.8
80.30083	1.7
83.01404	3.1
83.81253	1.5
85.02945	18.4
86.58684	1.8
87.00899	1.8
89.02438	39.3
95.01389	4.0
99.00912	1.9
100.50584	2.1
101.02444	31.8
109.31757	1.7
113.02447	31.7
119.03503	13.9
125.02422	1.8
125.78476	1.7
134.03738	30.0
137.02444	1.8
141.82222	1.9
149.02296	1.8
149.06148	12.2
150.03236	10.3
160.01720	2.1
161.04558	2.4
165.05559	33.2
175.04025	15.1
178.02737	8.0
182.83093	1.9
193.05072	66.2
195.06598	7.5
212.73813	1.7
282.09052	2.1
283.02408	8.1
298.04727	9.4
341.10315	2.3
389.12289	7.5
478.44617	2.0
487.33905	2.3
505.33603	2.5
514.95367	1.9
557.22449	31.4
649.38135	42.7
667.38983	25.2
709.40399	100.0
753.29755	9.7
776.95691	1.9
782.26337	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	753.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03271	2.1
57.03445	20.1
59.01379	62.1
59.01837	2.8
67.65541	2.4
71.01385	27.6
72.99305	3.1
73.02930	15.0
80.96531	3.4
82.96489	2.5
83.01376	5.3
85.02944	16.2
85.11916	2.3
85.85381	2.5
87.00893	3.9
89.02431	5.4
97.39589	3.0
99.00863	6.7
99.04527	13.5
101.02438	35.2
113.02440	26.0
119.03548	3.6
121.86681	2.8
125.02465	5.3
146.53180	2.9
155.03430	2.6
291.05862	2.8
343.28745	4.7
350.93713	3.7
361.29483	5.5
505.33948	17.1
523.34991	3.4
545.94519	3.1
565.35797	25.5
649.38281	25.5
667.38995	16.1
709.40216	100.0
753.29169	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	753.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.4
59.01380	12.3
69.96992	1.1
71.01377	5.9
72.99308	1.5
73.78801	1.2
75.00858	6.0
83.44353	1.2
85.02938	8.9
87.00831	2.2
87.81625	1.0
95.01412	1.4
99.00884	5.7
104.74715	1.4
113.02424	10.5
116.92819	2.1
117.01852	1.6
133.00517	1.2
140.46678	1.1
165.12808	5.6
171.10352	1.5
183.13905	57.8
195.13866	2.8
223.13460	2.4
275.20209	2.0
293.21371	10.8
300.86996	1.6
309.20850	4.8
350.79196	1.5
437.69995	1.4
450.61374	1.4
753.40790	100.0
758.08569	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	753.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.4
59.01380	12.3
69.96992	1.1
71.01377	5.9
72.99308	1.5
73.78801	1.2
75.00858	6.0
83.44353	1.2
85.02938	8.9
87.00831	2.2
87.81625	1.0
95.01412	1.4
99.00884	5.7
104.74715	1.4
113.02424	10.5
116.92819	2.1
117.01852	1.6
133.00517	1.2
140.46678	1.1
165.12808	5.6
171.10352	1.5
183.13905	57.8
195.13866	2.8
223.13460	2.4
275.20209	2.0
293.21371	10.8
300.86996	1.6
309.20850	4.8
350.79196	1.5
437.69995	1.4
450.61374	1.4
753.40790	100.0
758.08569	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	753.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.6
59.01382	73.5
71.01381	15.6
72.25504	0.6
73.02940	30.1
74.34789	0.6
75.63866	0.6
83.01360	5.0
85.02946	5.5
89.02433	9.4
95.01369	1.3
101.01780	0.9
101.02440	25.2
109.35897	0.8
113.02438	16.7
119.03470	3.7
131.03525	0.8
149.04544	1.2
161.04628	4.9
188.43202	0.8
195.86641	0.7
221.06667	1.0
249.29631	0.7
299.83597	0.8
487.34366	1.6
505.35291	1.0
649.39569	26.3
667.40839	4.7
709.41827	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	753.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	4.6
71.01375	1.0
72.99303	3.7
75.00867	100.0
89.02447	1.2
101.02457	1.0
102.89471	0.4
213.70741	0.5
260.40942	0.5
261.21469	0.5
531.36475	0.7
686.32495	0.6
693.42322	6.6
753.44263	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	753.4436
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82292	0.9
59.01381	100.0
63.61888	1.0
71.01378	21.0
72.92065	1.0
73.02947	8.9
83.01380	1.9
85.02946	11.6
85.73527	0.9
89.02442	18.6
95.01378	2.0
95.72532	1.0
96.48788	1.1
101.02445	14.5
113.02455	21.2
119.03473	5.5
131.03531	1.4
143.03539	1.3
161.04628	2.5
179.05627	1.6
307.10492	1.0
441.24457	1.3
633.40179	30.3
651.41431	19.0
693.42285	88.9
709.41205	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	753.4435
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15747	0.9
59.01381	100.0
63.25656	0.7
71.01385	1.9
72.73104	0.9
73.02935	1.1
82.63905	0.7
85.02958	1.7
92.23074	1.2
101.02406	1.8
113.02450	5.4
172.68491	0.8
246.61969	0.9
312.54211	1.1
405.62653	0.9
489.36200	3.4
551.58942	1.0
633.40167	23.8
651.41510	1.5
693.42303	21.5
753.44812	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	753.4438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11869	0.5
54.03202	0.4
58.00562	0.5
58.86645	0.6
59.01383	64.7
60.46797	0.4
71.01008	1.2
71.01379	23.5
78.29412	0.5
85.02943	3.1
88.10892	0.6
89.02438	30.3
101.02438	13.1
113.02444	12.6
119.03478	10.5
149.04477	0.6
161.04491	0.8
179.05606	4.5
206.39120	0.7
373.41541	0.6
693.42310	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00577	0.8
58.91368	0.8
59.01381	41.0
59.25977	0.7
60.07349	0.7
70.63765	0.8
71.01374	23.3
71.71589	0.9
73.02937	5.1
85.02942	7.7
85.55196	0.8
89.02439	19.6
91.49517	0.9
95.01384	1.4
99.00872	1.2
101.02435	19.9
113.02441	9.8
117.98061	0.9
119.03504	7.9
157.53883	1.0
161.04509	3.7
179.05560	1.1
320.79825	1.0
492.26376	1.0
693.42218	100.0
753.43799	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	753.444
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61285	0.5
59.01382	52.5
71.01378	20.8
73.02945	0.7
79.51842	0.5
85.02932	3.8
87.00864	0.5
89.02434	28.7
95.01340	1.8
101.02439	14.4
113.02440	10.6
114.52028	0.5
119.03497	8.7
127.19736	0.5
134.17102	0.6
161.04695	0.5
179.05580	3.0
284.49918	0.5
318.75281	0.6
319.37814	0.6
351.61404	0.5
364.01587	0.5
444.10370	0.6
693.42310	100.0
753.42340	0.7
753.75848	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17985	0.3
59.01385	5.0
59.62920	0.2
60.01715	0.6
61.98833	100.0
71.01387	1.1
79.33450	0.3
89.02453	1.4
98.36996	0.3
101.02435	0.4
113.02480	0.5
119.03426	0.4
126.81287	0.3
141.75255	0.3
255.84598	0.3
260.10498	0.3
391.53137	0.4
406.61786	0.4
483.88947	0.3
694.41827	4.3
754.40082	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	755.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.3
57.21489	0.2
58.29157	0.2
58.73933	0.2
59.01376	2.0
61.99666	0.2
70.36044	0.2
71.99724	0.2
83.01385	0.3
89.02438	0.5
92.22592	0.3
96.93924	0.3
101.02440	0.5
107.01421	0.2
113.02429	0.5
113.11221	0.2
134.03746	2.5
135.04521	0.4
151.00371	2.5
160.01627	1.7
161.02429	1.2
163.00438	0.3
169.01558	0.2
175.03989	2.6
178.99872	1.3
179.03609	0.3
184.24319	0.2
187.04091	0.3
193.05089	2.1
227.03511	6.2
229.05058	0.6
255.03009	20.8
256.03757	4.1
257.04556	1.1
283.02457	2.2
284.03281	100.0
285.04059	12.8
297.03732	0.3
298.04724	0.6
299.05624	0.3
332.43378	0.2
339.05072	0.3
561.12537	9.0
567.30621	0.4
579.13452	4.3
607.43988	0.3
711.41406	1.1
755.18365	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	755.1833
Annotation	Orientin 2''-O-xyloside-6''-ferulate
Peak:m/z	Relative Intensity
62.02105	0.2
73.09228	0.1
79.26094	0.2
98.72844	0.2
103.64011	0.2
107.01356	0.2
117.03477	0.2
125.02451	0.3
128.06448	0.2
134.03716	2.8
137.43503	0.2
149.06046	0.2
151.00386	2.4
151.99150	0.2
152.01140	0.3
160.01671	1.3
161.02425	0.7
164.01070	0.2
165.01958	0.2
175.03999	2.6
178.99850	0.8
179.03444	0.4
193.05109	1.7
213.05635	0.2
227.03506	5.5
229.04984	0.7
255.03000	17.2
256.03757	3.7
257.04504	1.2
283.02591	1.7
284.03281	100.0
285.04053	12.7
297.04495	0.2
298.04892	1.6
299.05609	0.7
327.05115	0.4
339.05334	0.3
429.08490	0.2
447.09531	0.3
505.38220	0.2
561.04431	0.3
561.12549	6.5
579.13623	3.5
583.44366	0.2
593.14063	0.3
755.18347	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	755.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
62.78537	1.8
71.15880	1.5
72.99301	2.0
82.36533	1.8
108.02148	2.7
121.02947	7.8
123.04510	11.4
142.07422	1.8
151.03986	3.2
151.46014	1.7
152.01186	15.8
164.04778	25.6
167.03500	100.0
179.07127	11.3
190.02744	8.1
205.05020	13.1
208.03799	33.8
223.06128	85.2
311.07797	2.5
429.91479	1.8
443.11813	2.7
507.51489	1.9
667.18970	31.1
711.25983	2.5
755.20544	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	755.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86925	1.3
69.85976	1.7
71.19205	1.4
73.02969	1.7
79.95735	8.4
94.98080	100.0
127.15667	1.5
400.78830	1.9
469.22476	2.1
496.17499	3.3
512.17108	10.6
536.16876	2.9
555.18903	10.8
585.19763	1.9
586.89093	1.7
659.23743	63.4
721.24304	2.1
755.22632	15.0
776.54913	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	755.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02749	0.4
57.03450	0.5
58.51847	0.3
59.01375	2.9
60.99298	0.9
66.27695	0.4
67.01892	0.9
69.56618	0.4
71.01380	1.9
81.03461	0.5
85.02922	0.5
87.00868	5.5
91.30669	0.5
93.03447	23.3
99.00871	0.7
101.02422	0.8
102.23492	0.4
108.02158	5.6
109.02950	4.0
111.04524	5.7
113.02428	0.7
118.18670	0.4
129.01964	0.9
130.08449	0.4
134.03738	5.9
135.04477	1.8
137.02431	0.7
149.02522	0.5
149.06073	2.7
150.46458	0.4
152.01152	35.2
153.01920	1.9
155.03506	1.9
161.02444	1.0
163.04036	2.2
165.04074	0.8
173.04539	26.6
175.04007	2.7
178.02716	1.1
179.03500	4.0
191.05623	100.0
193.05060	20.4
199.00980	0.4
210.60797	0.5
245.03413	0.5
311.07608	0.8
347.14728	0.5
367.10349	64.1
399.09253	5.1
417.10361	7.7
535.48871	0.5
593.14948	3.6
755.20496	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	755.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63453	0.9
57.03450	61.4
59.01380	54.5
59.01682	1.5
70.18391	1.1
71.01385	6.8
73.02927	1.7
73.71328	1.0
85.02946	1.4
89.02427	10.7
95.41738	0.9
99.04508	66.6
101.02433	19.7
113.02419	4.4
119.03490	4.2
125.02435	27.0
136.03246	0.9
143.03525	4.5
161.04521	1.3
179.05630	1.5
263.14996	1.1
285.03998	2.0
301.19998	1.6
303.14523	16.3
343.17599	2.4
361.18747	1.6
405.17673	100.0
445.24420	1.3
463.25714	3.8
538.95624	1.1
755.18201	2.2
755.33771	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	755.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.33868	0.9
71.01382	7.2
73.02949	2.2
85.02956	4.9
89.02441	1.3
99.00898	1.3
101.02456	11.7
103.00356	1.4
104.32800	0.9
113.02444	7.1
161.04509	3.5
291.18106	12.2
333.19177	24.0
350.15784	1.2
643.30597	1.2
695.43628	6.5
748.27844	1.3
755.28162	1.9
755.45020	9.5
768.68335	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	755.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77743	3.7
59.01384	100.0
61.98820	16.5
66.89811	3.6
92.23238	4.4
105.55865	4.5
129.72060	4.3
156.56499	3.9
187.31189	3.7
233.78499	4.2
252.98361	4.0
296.22934	4.1
328.33279	3.9
364.17758	4.2
644.50494	4.5
651.36804	4.6
711.38940	79.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98522	2.2
61.98833	53.4
71.01382	14.4
73.02938	1.9
85.02933	6.5
101.02446	10.6
102.98370	1.6
106.47440	1.1
113.02430	7.6
115.78374	1.2
161.04556	1.5
212.79362	1.3
232.80238	1.2
291.66571	1.2
348.66071	1.4
471.35004	1.8
530.15686	1.4
633.39850	6.0
675.29614	2.0
675.41174	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	755.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95301	0.4
59.01385	7.9
61.84295	0.4
61.98833	100.0
68.15910	0.3
71.01360	0.6
77.28709	0.4
89.02456	0.5
101.02449	0.6
367.36041	0.4
675.41541	2.3
695.42554	2.5
711.38843	7.6
755.40070	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	755.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94168	1.5
55.01859	1.4
57.03451	3.8
58.25826	1.4
59.01382	50.5
59.57551	1.3
71.01372	29.3
73.02951	13.2
75.00893	2.1
83.01383	3.6
85.02941	17.2
87.00883	8.7
89.02427	10.7
95.01392	3.1
99.00826	2.5
101.02428	35.3
103.00364	7.8
105.01923	36.9
111.00858	3.8
113.02441	24.5
119.03495	4.0
124.11622	1.8
125.02423	3.7
139.32576	1.9
143.03552	2.2
159.03011	2.1
161.04552	2.9
163.83443	1.6
165.21863	1.6
181.57594	1.8
193.70094	1.7
284.03348	2.3
345.30072	7.1
449.15765	1.9
507.35330	8.2
611.36847	2.7
651.39600	37.8
669.40674	26.1
711.41809	100.0
755.40314	8.5
775.94666	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	755.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.9
57.99091	1.8
59.01103	2.6
59.01384	60.9
63.13350	2.0
71.01375	15.6
73.02957	9.7
74.38415	2.5
75.34650	2.3
83.01401	2.8
83.05038	2.5
85.02944	9.7
99.00848	2.6
101.02413	14.2
111.32735	1.7
113.02444	11.6
116.69859	1.8
129.35295	1.7
151.11301	2.5
161.04558	2.4
173.99567	1.9
178.07637	1.9
247.17183	3.0
252.41226	2.1
263.20123	8.0
277.21106	1.8
289.21735	4.4
307.22885	10.5
385.82379	2.2
385.98639	2.1
407.24454	2.9
415.32455	2.0
425.25018	2.9
466.45377	2.4
651.41388	36.3
669.42401	9.2
695.39972	3.6
711.43323	100.0
755.42267	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	755.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61722	0.5
57.03464	0.8
59.01383	7.9
71.01376	4.2
72.99290	1.5
75.00871	7.2
85.02943	9.5
87.00871	3.3
89.02427	1.3
95.01380	2.3
95.74712	0.6
99.00878	6.1
99.04518	0.6
113.02424	9.8
113.09737	0.9
115.00375	1.1
116.92847	2.5
117.01904	1.0
157.05618	0.5
165.12802	7.0
183.13908	64.5
195.13914	9.3
199.94849	0.6
208.74249	0.7
209.11859	1.1
227.13000	0.9
249.05954	1.0
277.21741	10.2
295.22824	29.8
309.20764	0.8
673.21320	1.2
747.75427	0.7
755.42328	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.9
59.01383	100.0
71.01378	12.4
73.02943	6.6
83.01394	2.7
85.02931	5.7
89.02439	3.6
95.01401	1.4
98.19105	0.6
99.00871	1.1
101.02437	12.8
101.78250	0.7
101.79011	0.6
104.61012	0.7
113.02436	10.6
119.03537	0.7
125.02426	1.0
134.03712	5.1
146.03751	1.1
149.06064	2.7
151.00404	0.8
160.01688	0.8
161.04521	3.5
161.05956	1.0
164.04802	0.9
175.04062	0.9
178.02710	4.0
179.07117	2.8
191.38350	0.7
193.05077	7.7
227.03485	2.7
255.03055	6.8
284.03275	29.4
285.04102	4.0
339.08575	0.9
413.30109	0.7
431.31708	0.9
487.34613	1.1
489.36118	1.4
507.36905	7.9
533.18054	0.7
551.19629	9.4
561.12402	1.3
651.41260	18.4
669.41797	7.1
711.43329	98.4
755.18335	13.8
755.39648	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20050	0.4
55.01893	0.5
56.06465	0.4
56.51230	0.4
57.03450	0.5
59.01382	100.0
61.75018	0.4
66.79208	0.4
71.01373	11.4
73.02940	5.0
83.01389	2.2
83.29232	0.5
85.02940	8.4
86.21012	0.4
87.00887	0.7
89.02423	3.7
95.01379	1.1
99.00904	0.7
101.02426	10.3
113.02450	13.2
119.03470	0.9
121.06071	0.4
159.03017	0.8
161.04585	1.9
164.04758	0.5
179.07138	0.7
282.08804	0.5
369.27991	0.8
413.30551	2.1
431.31653	0.9
473.32538	0.7
487.34357	1.8
489.35785	2.5
505.35345	2.5
507.37170	9.5
651.41248	31.7
669.42407	8.2
711.43347	98.5
755.41998	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4592
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.05215	0.8
73.02995	1.0
78.40678	1.0
85.02948	1.0
85.17788	0.9
97.17564	0.9
101.02412	1.9
113.02389	0.9
155.49409	1.0
206.91002	1.0
405.60248	1.0
408.25027	0.9
471.20532	1.1
481.42523	1.0
606.88507	1.3
635.42236	7.3
695.43677	16.5
711.43085	2.0
748.36053	1.0
755.45972	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	755.4592
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80163	0.4
59.01381	100.0
59.86739	0.4
60.58577	0.5
65.30052	0.5
71.01381	0.7
85.02962	0.8
92.22533	0.7
96.17695	0.4
101.02431	0.8
102.36943	0.6
113.02446	0.7
258.16681	0.5
347.99728	0.5
392.97552	0.6
452.70782	0.5
491.37936	0.6
635.41815	16.0
695.43884	14.6
695.55005	0.7
755.45844	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	756.4185
Annotation	Leucomycin A7
Peak:m/z	Relative Intensity
55.53030	0.3
56.39681	0.3
59.01387	4.3
61.98836	100.0
66.72215	0.2
71.01395	1.4
89.02449	1.8
90.02798	0.3
92.22489	0.3
93.52671	0.3
100.87041	0.3
102.02796	0.3
102.05827	0.3
113.02482	0.5
119.03513	0.5
321.02322	0.3
458.07477	0.3
694.43164	0.6
696.43201	6.3
714.76733	0.4
756.42035	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	757.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.3
64.72495	0.7
76.23771	0.7
77.53154	0.7
95.47344	0.7
122.03702	1.4
133.02863	0.8
135.04474	1.3
136.01654	8.4
136.91827	0.7
137.02441	1.4
149.02385	5.3
150.03224	45.8
151.04015	28.7
153.60388	0.8
160.94235	0.7
162.48508	0.8
164.04822	1.8
165.05569	100.0
175.03981	1.3
179.10712	0.7
180.04349	9.0
190.06392	5.5
195.06648	35.4
208.03677	1.1
213.05273	0.8
299.09293	1.2
312.10181	0.9
327.12561	1.3
342.11218	1.3
357.13379	12.1
450.48047	0.9
505.18665	7.7
553.20874	59.0
643.27539	0.8
757.26984	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	757.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69899	2.3
59.01101	5.2
59.01381	100.0
61.90845	2.5
71.01387	7.0
82.52886	2.7
85.02961	5.1
101.02444	2.8
113.02419	3.6
130.49637	2.5
135.97189	3.3
143.47029	3.1
187.36734	3.2
219.54716	3.4
299.05695	4.3
467.10834	3.3
653.38507	6.5
671.39215	11.7
713.40100	37.0
715.38580	3.6
763.99408	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	757.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79626	2.1
59.01380	100.0
61.98825	5.8
68.28231	2.2
68.72548	2.3
71.01377	3.6
71.09585	2.0
73.02944	2.4
76.59821	2.7
85.02930	2.9
113.02433	2.7
113.69949	2.2
251.34756	2.6
653.37732	7.9
671.38971	4.9
713.40619	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	758.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76261	8.4
57.03440	56.2
59.01370	20.8
61.98827	100.0
62.51984	8.8
73.40085	7.9
85.91795	9.5
94.90723	9.4
99.04502	60.8
112.03405	9.6
112.89328	9.1
117.16396	10.7
120.66427	9.3
125.02441	21.6
133.42084	10.8
149.48083	9.1
277.21701	19.5
310.48618	10.9
369.71707	11.6
384.45035	10.4
488.45551	9.3
645.96014	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	758.4341
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25930	1.4
57.03450	84.4
59.01379	52.7
59.01660	1.6
61.98829	73.4
64.19914	1.6
78.16595	2.2
78.51728	1.8
81.03426	2.4
98.44997	1.8
99.04509	100.0
99.05157	3.6
101.02420	18.6
125.02447	46.5
143.03465	3.6
242.16789	2.2
277.21759	48.9
593.40894	2.7
695.43976	47.0
724.96887	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	759.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89182	0.2
54.37235	0.2
62.55978	0.2
64.03545	0.2
77.94021	0.2
78.80962	0.2
99.92580	4.2
114.93417	1.4
116.92851	100.0
117.01947	0.5
141.23857	0.2
354.59695	0.2
759.15613	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	759.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.4
69.78413	0.5
71.01357	1.0
75.00877	0.7
76.00909	0.5
85.02940	1.3
87.00868	0.9
108.02151	7.1
109.02943	8.3
119.04987	6.6
129.01924	3.4
142.89827	0.7
151.03943	1.3
152.01144	62.7
153.01936	3.0
159.02945	0.7
163.03998	26.3
165.05579	2.9
169.01355	2.3
169.02734	0.7
177.03993	1.0
179.03564	0.8
195.05087	14.2
195.06709	1.1
207.02814	0.7
227.93916	0.8
241.07091	5.4
341.08798	12.8
380.47440	0.7
417.10428	100.0
468.90488	0.7
611.40558	0.7
759.23553	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	759.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37230	0.6
56.55049	0.6
59.01384	5.7
60.94240	0.6
62.76469	0.7
68.20068	0.7
71.01387	1.3
72.75265	0.6
73.02912	0.7
73.84941	0.7
75.45085	0.7
76.43335	0.7
84.11813	0.6
89.02446	0.9
96.62629	1.1
101.02451	1.8
112.43621	0.8
112.44461	0.8
118.26569	0.7
121.02962	1.6
122.03745	0.9
123.04526	1.4
133.02946	11.6
134.03735	1.2
135.04521	1.2
137.06123	0.9
147.04501	7.6
148.05286	1.8
149.02438	8.1
149.06081	10.0
150.03223	58.8
151.04050	1.9
159.04492	3.1
160.05327	11.0
161.06076	4.9
162.03236	0.8
163.04004	4.6
164.04799	18.5
165.05565	83.9
173.06044	3.2
174.06947	2.5
175.03984	0.9
175.07645	23.8
176.04802	8.3
177.05559	15.1
178.06361	19.2
179.07115	1.3
180.04243	4.0
189.05687	1.0
191.07175	4.9
192.07925	19.2
193.08699	5.1
195.06642	16.3
240.08652	0.8
255.06667	5.1
255.11418	25.4
256.07321	1.3
270.09000	10.0
271.09811	1.4
284.10608	4.0
285.11447	3.2
296.10336	2.9
297.11389	1.4
301.10715	4.6
315.12451	4.7
326.11606	1.2
329.13974	45.6
359.14929	1.2
381.23923	1.0
395.19214	4.2
432.15726	7.4
443.15134	1.3
444.15649	3.5
447.18207	23.5
459.18231	9.9
462.17099	1.1
477.12244	1.8
477.19226	84.4
507.20370	5.9
525.21375	89.7
537.21997	1.1
549.20990	1.3
555.22394	100.0
597.23718	6.1
631.84192	0.8
681.38593	1.1
729.27856	17.0
759.27332	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66405	0.3
59.01375	0.8
67.20184	0.4
71.01398	0.7
94.50171	0.4
104.45816	0.4
107.66534	0.6
108.02138	0.5
109.69966	0.5
112.41296	0.5
121.02937	1.1
122.03708	2.4
123.04476	0.5
133.02969	1.9
134.03691	0.6
147.04510	1.9
148.05261	0.9
149.02420	4.6
149.06071	2.2
150.03227	44.9
151.03996	2.3
152.01149	1.0
159.04526	2.1
160.05255	5.3
161.06085	0.9
163.03995	1.7
164.04823	7.3
165.05560	100.0
173.06155	0.8
175.07631	11.3
176.04774	0.7
177.05530	4.3
178.06377	7.4
180.04282	6.3
192.07907	4.3
193.04939	0.6
193.08723	1.1
195.06642	26.9
270.08975	0.9
285.11261	0.7
311.12915	0.5
329.13968	21.4
394.11145	0.5
442.85101	0.5
447.18231	5.3
459.18146	1.1
477.19211	11.1
507.20209	1.0
525.21338	51.3
555.22424	29.1
555.31128	1.0
597.23395	2.6
699.39716	2.8
729.27710	16.2
759.28552	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.5
59.01385	1.5
60.55872	0.8
65.95766	0.9
68.99817	1.2
71.01354	1.5
72.99318	1.1
84.29787	0.9
85.02943	14.5
87.00883	3.5
87.04501	0.8
97.02927	4.0
99.00861	5.2
115.03996	1.2
119.05022	16.0
129.01935	16.2
141.01863	2.0
142.54167	0.8
145.02937	1.6
159.02969	5.2
162.11162	0.8
163.03999	44.9
167.03510	1.7
191.05641	5.5
196.04279	0.9
209.06677	58.3
263.76059	1.2
277.75467	0.9
310.16824	0.9
355.10382	100.0
397.89862	0.9
407.72992	1.1
584.78217	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25030	0.9
57.03453	62.1
57.60734	0.9
59.01103	2.2
59.01382	44.9
60.81326	0.8
71.01403	1.3
73.02939	1.4
92.22721	2.4
99.04513	61.4
99.05161	2.2
101.02443	19.8
113.02419	2.3
121.34965	1.2
125.02430	24.5
143.03496	1.9
146.77106	1.0
161.04619	4.6
166.87827	1.1
235.11858	25.8
277.12933	14.2
355.10828	1.1
379.16129	100.0
781.65607	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	47.2
59.01380	30.2
61.72039	0.5
71.01375	4.7
73.02937	2.6
76.30424	0.4
77.81469	0.5
83.01386	1.0
85.02920	0.7
89.02447	0.8
96.56722	0.6
99.00866	0.6
99.04507	42.7
101.02434	15.5
113.02441	2.5
120.37794	0.5
125.02431	11.3
143.03470	2.3
159.03000	1.0
161.04549	8.9
190.13931	0.5
235.11874	30.4
277.13028	4.8
317.16193	2.3
379.16110	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23727	0.5
54.81668	0.5
55.35603	0.6
59.01382	100.0
61.93402	0.6
63.97150	0.5
71.01373	9.8
73.02919	5.7
79.62732	0.6
85.02953	4.2
89.02014	0.6
89.02450	8.3
99.00877	3.7
101.02437	17.8
113.02438	8.1
113.47704	0.7
119.03533	1.2
119.05044	0.9
127.07630	0.6
129.01961	1.5
130.60097	0.6
138.64006	0.7
159.03020	0.9
161.04541	12.1
163.03963	3.7
186.89911	0.7
193.05093	0.9
196.45018	0.7
209.06564	1.4
235.11880	39.5
272.63480	0.6
277.12936	49.0
297.50183	0.7
316.98642	0.7
321.11914	1.0
355.10446	2.6
437.20529	16.8
477.43274	0.8
759.28210	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	44.4
59.01388	7.4
59.29907	0.9
62.48877	1.0
71.01366	1.4
97.02937	5.0
99.04510	39.0
101.02438	11.4
103.40942	0.9
104.66660	1.2
113.02466	2.2
116.72149	1.1
123.04531	2.3
125.02437	93.8
131.88271	1.1
140.75800	1.1
149.06082	2.3
161.04530	4.2
163.04051	1.6
167.03500	28.8
193.04924	1.3
240.07898	1.0
260.58774	1.0
267.62775	1.1
329.08722	13.3
369.11707	1.9
393.10278	1.0
394.53247	1.1
431.11966	100.0
539.61389	1.1
609.03156	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	761.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11678	0.6
56.85114	0.6
57.03444	0.8
59.01376	1.1
63.44691	0.5
72.60279	0.6
72.99355	0.7
73.63346	0.6
99.04490	1.6
116.92884	1.0
125.02367	0.8
143.10771	3.8
165.01933	3.2
176.35954	0.6
213.00557	0.7
255.02966	7.7
269.04907	0.8
271.06082	1.3
283.02509	91.4
284.03180	4.3
298.04852	100.0
299.05618	9.4
343.21255	1.3
356.87317	0.8
390.49133	0.7
409.09119	0.8
617.15240	23.5
665.22668	5.6
669.25793	0.8
729.27820	5.5
760.80286	0.9
761.26709	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	761.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31415	0.4
57.92163	0.5
58.02981	3.2
59.01129	1.0
59.01385	23.9
61.61974	0.5
66.03912	0.5
70.02975	8.3
71.01375	5.2
72.04549	2.3
73.02950	7.4
74.02470	33.7
82.35281	0.5
83.01395	0.9
83.92751	0.5
84.39240	0.6
85.02948	1.1
89.02448	2.3
98.02465	7.0
101.02451	6.1
104.51201	0.5
113.02456	3.5
116.02721	1.0
116.03542	20.3
116.05034	7.7
119.03498	0.6
125.06075	0.7
130.06641	0.8
138.06915	1.2
139.07671	1.1
142.70143	0.6
151.07660	5.2
152.08443	10.1
153.09215	36.1
159.09268	1.1
161.04654	0.7
176.83298	0.6
201.10388	7.3
202.17943	0.6
203.08284	63.5
205.12352	9.2
214.82034	0.6
223.13374	9.0
245.09332	100.0
283.49399	0.7
289.08328	5.1
308.45178	0.6
367.17642	5.3
385.18741	1.0
427.19812	58.8
471.19022	1.3
588.67151	0.7
782.58893	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16010	0.6
59.01381	4.2
71.01372	4.8
72.99290	1.1
73.02917	1.2
85.02937	2.6
87.00851	0.8
88.04765	0.5
89.02467	1.6
94.06319	0.5
95.01382	0.8
99.00841	0.8
101.02431	6.3
113.02422	3.7
117.03439	5.0
118.42885	0.6
121.09883	0.5
123.04620	0.6
125.02396	1.0
131.03462	0.7
134.03737	95.1
137.02454	0.9
137.43019	0.5
143.31049	0.6
149.02347	0.7
149.03635	0.6
149.04875	0.6
149.06067	16.9
160.01639	10.5
161.04471	1.2
165.05583	0.5
175.04004	21.0
175.05522	0.7
178.02713	9.8
193.05061	100.0
215.21251	0.6
225.12920	0.8
291.18149	0.8
298.04745	0.6
393.37509	0.6
412.82370	0.7
567.26764	5.1
761.32385	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	761.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92952	0.3
59.01375	4.6
60.12618	0.3
71.01379	4.7
72.99303	0.9
73.02942	1.0
85.02961	1.9
87.00891	0.9
89.02439	3.1
89.03954	0.7
95.01346	0.5
97.02924	0.8
99.00896	0.7
101.02434	7.0
113.02430	4.4
117.03441	6.4
125.02454	1.5
131.03517	0.5
134.03737	93.0
141.77586	0.4
149.06078	17.5
160.01666	8.5
161.04593	2.4
175.04004	22.0
178.01221	0.7
178.02696	8.6
193.05067	100.0
197.80150	0.4
273.75482	0.4
291.17926	0.7
293.59885	0.4
453.23196	0.8
466.03662	0.4
567.26678	5.3
761.32446	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	761.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	52.8
59.01380	91.2
70.67515	1.7
71.01379	13.2
73.02940	3.1
89.02425	9.9
89.89693	1.6
92.22552	6.5
92.23143	3.3
99.04514	54.0
101.02425	28.6
113.02435	4.5
119.03461	2.6
125.02413	25.2
131.07137	9.1
161.04581	10.5
184.94487	1.8
226.82318	1.9
235.11884	20.1
255.07642	1.9
266.13062	1.9
270.10144	2.2
277.12918	15.4
287.09186	2.1
293.16125	8.5
317.15936	2.1
321.15576	39.4
335.17053	29.5
347.12488	3.8
379.16061	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	52.8
59.01380	91.2
70.67515	1.7
71.01379	13.2
73.02940	3.1
89.02425	9.9
89.89693	1.6
92.22552	6.5
92.23143	3.3
99.04514	54.0
101.02425	28.6
113.02435	4.5
119.03461	2.6
125.02413	25.2
131.07137	9.1
161.04581	10.5
184.94487	1.8
226.82318	1.9
235.11884	20.1
255.07642	1.9
266.13062	1.9
270.10144	2.2
277.12918	15.4
287.09186	2.1
293.16125	8.5
317.15936	2.1
321.15576	39.4
335.17053	29.5
347.12488	3.8
379.16061	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
59.98343	0.7
63.50197	0.7
67.03191	0.6
67.19235	0.7
69.03455	0.8
69.45145	0.6
71.01012	1.3
71.01379	27.1
73.02939	29.0
83.01383	6.5
85.02951	7.9
86.19874	0.8
86.44450	0.8
87.00865	0.8
89.02428	15.3
91.09786	0.7
95.01385	4.1
101.02432	26.4
113.02443	24.8
119.03483	5.2
125.02422	1.5
143.03502	3.6
149.04543	3.6
161.04536	10.6
179.05559	1.3
221.06679	3.3
513.36078	0.9
657.40137	25.9
675.41248	24.1
717.42352	42.9
761.45325	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.76770	1.9
71.01381	14.8
73.02935	8.8
80.28807	1.9
85.02952	3.7
89.02428	12.2
92.22485	2.2
101.02441	17.0
113.02451	10.3
192.89815	1.9
208.38533	2.1
343.36273	2.2
510.77203	2.0
547.38293	2.2
657.40106	44.8
675.41248	26.9
717.42181	49.6
761.46594	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	763.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36377	0.7
57.65166	0.7
59.01384	0.7
59.66023	0.7
59.90002	0.7
60.52063	0.6
60.96244	0.7
71.01346	1.0
85.02924	0.7
88.35153	0.7
94.36340	0.8
101.06080	2.8
113.02410	0.9
116.51082	0.8
121.83607	0.8
165.01929	1.5
255.02989	5.1
269.04660	0.9
283.02481	80.5
284.03214	3.4
286.40594	0.8
298.04834	100.0
299.05557	9.9
327.45084	0.8
600.49774	0.9
617.15179	13.5
635.16022	3.4
719.21930	60.2
763.43829	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90123	0.2
59.01380	0.5
63.41769	0.2
69.96954	0.2
71.05006	0.3
73.02922	1.0
75.00862	3.2
77.66695	0.3
81.03461	1.2
87.00887	2.8
99.04512	1.4
119.05017	29.2
143.03485	0.4
145.02968	0.5
161.04550	8.0
163.04012	100.0
179.05640	3.0
273.41238	0.3
325.09320	40.4
379.19836	0.3
751.51538	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.95094	0.4
63.49582	0.4
71.01378	5.2
73.02940	1.8
83.01427	0.5
85.02925	3.5
99.00913	0.6
101.02447	3.0
109.38167	0.5
113.02437	2.0
161.04572	5.3
180.61076	0.6
219.50909	0.5
605.22815	2.5
651.16235	0.5
763.27301	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	3.7
59.01103	0.4
59.01381	8.8
64.65021	0.3
70.02972	7.7
71.01362	0.5
72.00905	0.4
72.04538	1.7
74.02467	29.7
85.02993	0.3
85.63600	0.3
90.99496	0.4
96.95998	2.8
98.02475	5.1
116.03532	17.5
116.05026	6.0
130.06581	0.6
137.09587	0.4
142.06618	0.5
159.09283	2.4
165.05533	0.5
183.09239	0.6
186.05508	0.5
189.12804	0.6
201.10350	5.6
203.08276	61.8
207.13893	1.7
245.09312	100.0
289.08389	6.8
429.21329	6.5
461.89706	0.4
481.38541	0.4
571.48993	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	3.5
58.03222	0.5
59.01383	32.4
70.02626	0.5
70.02978	8.3
71.01376	3.1
72.04550	1.4
73.02941	2.6
74.02470	31.2
83.01388	0.3
85.02960	0.3
89.02433	1.9
94.66634	0.3
96.96001	0.5
98.02467	6.8
99.00912	0.3
101.02432	3.2
107.42648	0.3
113.02444	1.8
116.03532	19.1
116.05024	6.8
123.33557	0.3
130.06664	0.6
142.06596	1.7
150.03163	0.3
152.01071	0.6
157.24452	0.3
159.09196	2.2
161.04579	1.6
162.34546	0.3
163.11331	0.5
165.05562	1.5
179.07153	0.3
183.09349	0.7
186.05649	0.7
201.10336	6.9
203.08282	66.8
207.13965	1.2
225.14935	0.5
245.09320	100.0
246.09514	0.4
289.08359	6.6
302.98810	0.4
369.19293	1.2
387.20294	1.5
429.21368	26.1
541.83844	0.4
560.91376	0.4
614.67212	0.3
687.34521	0.4
715.52496	0.3
763.26788	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	763.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	3.5
58.03222	0.5
59.01383	32.4
70.02626	0.5
70.02978	8.3
71.01376	3.1
72.04550	1.4
73.02941	2.6
74.02470	31.2
83.01388	0.3
85.02960	0.3
89.02433	1.9
94.66634	0.3
96.96001	0.5
98.02467	6.8
99.00912	0.3
101.02432	3.2
107.42648	0.3
113.02444	1.8
116.03532	19.1
116.05024	6.8
123.33557	0.3
130.06664	0.6
142.06596	1.7
150.03163	0.3
152.01071	0.6
157.24452	0.3
159.09196	2.2
161.04579	1.6
162.34546	0.3
163.11331	0.5
165.05562	1.5
179.07153	0.3
183.09349	0.7
186.05649	0.7
201.10336	6.9
203.08282	66.8
207.13965	1.2
225.14935	0.5
245.09320	100.0
246.09514	0.4
289.08359	6.6
302.98810	0.4
369.19293	1.2
387.20294	1.5
429.21368	26.1
541.83844	0.4
560.91376	0.4
614.67212	0.3
687.34521	0.4
715.52496	0.3
763.26788	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	763.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.5
57.09147	0.5
59.01382	100.0
71.01382	7.6
73.02937	3.8
74.97443	0.5
83.01382	1.1
83.62283	0.5
85.02931	5.0
88.91493	0.6
89.02435	1.4
92.22645	2.3
96.95937	0.7
99.00892	2.4
101.02435	14.9
113.02442	6.2
115.36024	0.5
137.06009	1.2
139.07661	11.0
159.02983	3.0
161.04547	12.0
163.03960	0.7
168.07988	2.3
187.11293	0.9
193.05101	1.1
205.12395	5.1
235.11870	40.1
275.10590	0.7
277.12939	52.1
279.12366	15.7
307.54962	0.6
321.12000	2.5
364.27423	0.6
387.42099	0.7
441.17694	3.9
443.11844	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	763.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02034	0.3
59.01371	1.9
63.80539	0.3
76.93837	0.3
80.94731	0.3
87.00868	100.0
89.02402	0.5
119.51778	0.4
147.02959	0.4
148.87770	0.4
277.21591	0.6
307.07428	0.4
397.13544	1.9
635.94666	0.4
675.35980	1.5
726.78882	0.4
763.37585	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	763.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.9
71.01375	0.7
74.76783	0.4
85.93701	0.4
87.00870	100.0
89.02448	0.6
101.02414	0.6
113.02433	0.6
215.01886	0.4
277.21780	0.7
333.09079	0.5
397.13620	0.9
571.01788	0.4
719.44678	0.7
731.28326	1.7
763.37994	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	763.4282
Annotation	Digitoxin
Peak:m/z	Relative Intensity
59.01384	100.0
60.27902	1.6
70.52455	1.5
71.01380	23.0
71.98175	1.6
73.02943	14.7
82.11492	1.6
83.01408	1.8
83.09966	1.6
85.02937	3.3
85.23547	1.5
87.00886	1.9
89.02428	17.2
95.01395	2.0
100.06477	2.0
101.02446	18.1
103.70713	1.7
105.32494	1.7
113.02448	16.3
116.92852	2.8
116.97229	6.8
117.13748	1.8
119.03478	2.0
127.01478	11.1
143.03596	2.0
161.04556	3.5
179.05643	2.6
182.88057	1.8
265.38345	1.7
274.53452	1.9
403.32208	1.7
408.09213	2.2
659.41803	40.1
677.42944	27.2
719.43903	55.8
763.27667	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	763.428
Annotation	Digitoxin
Peak:m/z	Relative Intensity
59.01382	100.0
68.14792	0.5
71.01379	20.4
73.02938	21.6
79.32987	0.6
83.01389	4.3
85.02935	5.0
89.02435	16.5
89.85445	0.6
95.01398	2.5
101.02441	19.5
103.02952	0.6
113.02442	19.8
119.03493	6.3
131.03514	2.8
143.03525	2.4
149.04523	2.9
161.04550	9.1
179.05621	3.2
221.06714	3.2
264.10004	0.6
322.95276	0.7
564.07983	0.7
659.41766	16.3
677.42859	14.3
719.43866	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	763.4282
Annotation	Digitoxin
Peak:m/z	Relative Intensity
58.68938	0.7
59.01384	100.0
66.71809	0.7
71.01383	16.1
72.99304	0.9
73.00710	0.8
73.02940	4.4
83.01402	1.0
85.02959	6.0
85.88393	0.8
87.00884	6.1
89.02441	11.3
94.37285	0.8
95.01382	1.3
97.15749	0.9
99.00854	1.2
101.02444	10.7
113.02444	17.2
116.92863	1.2
119.03489	4.9
125.07729	0.8
150.41008	0.8
161.04655	1.5
169.01041	0.9
201.28406	0.9
229.82703	0.8
268.49307	0.8
659.41748	50.6
677.42853	25.3
719.43762	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	763.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
62.32136	1.1
67.83907	1.2
68.12569	1.3
71.01379	12.2
73.02936	2.2
73.84509	1.1
85.02953	2.2
86.63460	1.4
90.91608	1.5
101.02452	6.8
113.02412	4.7
116.05257	1.3
126.78491	1.3
143.88873	1.1
145.95467	1.4
149.06023	1.2
193.05138	1.7
234.41049	1.3
239.31998	1.3
515.29004	1.6
659.41229	1.8
677.43005	9.0
719.43927	43.8
727.24304	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	765.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
75.21989	0.5
82.08558	0.5
90.49882	0.6
91.88477	0.5
136.56500	0.5
165.01944	2.7
203.50114	0.6
255.03017	5.2
255.82027	0.6
269.04453	2.2
271.06180	1.0
283.02493	75.6
284.03305	3.7
298.04840	100.0
299.05621	9.7
352.95566	0.7
547.10645	0.6
554.76056	0.6
617.15210	17.7
635.15845	6.1
677.17322	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	765.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78240	0.3
57.86509	0.4
59.01387	5.8
59.71776	0.3
64.48247	0.4
71.01369	0.9
73.02939	2.5
89.02444	1.1
89.97226	0.4
101.02433	1.9
103.04021	2.2
113.02432	1.8
165.01978	3.2
208.59479	0.4
255.03047	4.0
269.04602	0.7
271.06152	0.8
283.02502	53.2
284.03299	1.9
298.04855	100.0
299.05655	8.4
339.05023	0.6
357.19293	0.7
441.47073	0.4
470.65952	0.5
617.15222	15.5
635.16205	2.1
691.19153	4.4
703.18854	24.4
721.19952	28.1
756.66083	0.5
765.44495	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.3
71.01379	2.0
74.97361	1.1
89.02414	1.2
101.02441	1.9
103.70818	1.2
147.04518	2.3
165.01927	2.1
166.30722	1.5
255.03021	5.4
283.02499	73.8
284.03204	4.9
298.04843	100.0
299.05597	10.3
450.08038	1.2
575.14111	1.6
617.15198	32.3
619.11603	1.4
672.96204	1.4
677.17444	1.7
723.18842	1.4
765.20337	37.6
765.43079	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	765.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91195	0.6
55.49797	0.6
57.13818	0.6
59.01376	11.0
60.07690	0.5
65.70750	0.6
67.42003	0.6
71.01374	6.3
72.99328	1.3
75.00878	5.3
76.29543	0.6
85.02947	6.5
87.00876	2.3
89.02435	1.2
95.01382	1.4
99.00901	4.6
101.02458	0.8
109.47417	0.6
113.02453	16.5
115.00381	0.9
117.01970	1.1
120.28532	0.6
129.01938	1.2
134.03717	11.2
140.85492	0.8
140.86629	0.7
149.06107	5.3
160.01680	0.8
161.02446	0.9
163.04054	1.1
165.04041	3.2
175.02504	1.3
175.04021	3.9
179.03499	2.5
184.54893	0.6
193.05074	31.2
200.49942	0.8
231.05164	0.9
241.29062	0.6
249.06177	15.9
253.07249	0.9
267.07162	34.3
301.03604	0.7
443.12006	100.0
453.25671	0.7
595.37653	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14148	1.3
54.97033	1.4
57.03452	32.1
59.01377	34.4
68.11686	1.4
71.01367	12.1
72.99316	1.9
73.02948	3.7
85.02927	20.7
87.00864	7.7
89.02425	3.5
90.28727	1.5
97.02943	8.8
99.00877	7.7
99.04500	28.9
99.05083	2.1
101.02437	18.7
111.00840	3.0
113.02436	7.3
115.03982	3.7
119.05016	25.4
125.02423	14.3
129.01932	19.8
141.01915	2.5
159.03012	7.6
161.04559	11.6
162.23729	1.5
163.02657	2.6
163.04012	62.5
191.05621	7.7
209.06682	87.6
256.22318	1.8
265.12878	25.5
265.88489	1.6
285.08908	9.8
307.13910	7.2
335.17062	6.3
355.10388	100.0
379.11490	6.5
379.16260	8.0
409.17166	88.6
409.22668	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	765.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	23.0
60.86538	2.9
66.06796	3.2
71.01385	5.2
73.02947	3.2
86.60545	3.4
99.00890	3.4
101.02446	5.1
113.02464	6.4
117.03500	3.9
134.03708	78.8
149.02446	5.0
149.06093	16.9
150.03198	32.8
160.01707	8.4
165.05557	52.4
174.47186	4.2
175.04007	67.3
178.02774	4.0
193.05057	88.4
195.06665	8.7
202.54219	3.8
267.86075	3.8
280.20538	4.5
282.09091	5.4
299.05670	4.7
341.10410	5.4
385.29425	4.8
416.82971	4.0
483.22565	5.1
507.30966	4.6
525.23535	100.0
543.32623	3.9
554.56958	4.0
599.87225	4.1
673.27997	4.4
721.30786	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	765.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02968	3.0
59.01383	6.1
59.20152	0.4
70.02972	6.1
72.04500	0.6
74.02469	31.1
74.55274	0.5
83.87362	0.4
98.02477	6.6
98.92490	0.5
101.02439	0.6
116.03529	19.4
116.05021	6.6
130.06590	0.6
145.55144	0.5
159.09241	2.5
183.09467	0.7
201.10329	6.1
203.08281	57.7
239.01341	0.6
245.09319	100.0
289.08282	7.9
327.68100	0.5
331.65436	0.5
431.22812	4.2
464.41507	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99323	0.4
78.17525	0.3
79.07741	0.4
80.91700	0.4
81.02620	0.3
92.23128	0.3
99.04525	0.4
99.92571	10.4
100.93358	4.2
114.93376	0.5
114.94914	1.9
115.92072	5.7
116.92854	100.0
117.93603	0.7
139.95743	0.4
146.78271	0.3
156.95961	2.1
158.93896	1.7
161.04506	0.6
182.97527	2.7
183.94719	2.0
198.97072	1.4
226.96526	5.0
277.21729	7.4
290.02496	0.3
290.52414	0.4
487.32825	1.8
505.34204	0.4
507.37305	0.4
603.26587	3.2
621.28101	0.5
727.33832	0.4
729.29449	0.8
747.30438	3.3
765.31622	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	765.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70795	0.3
59.01375	0.5
76.56792	0.3
87.98878	0.4
93.03437	0.9
101.02461	1.7
105.08561	0.3
108.04559	0.7
109.94993	0.4
134.06079	0.5
136.04004	0.9
136.07733	0.4
142.18568	0.3
150.05585	2.3
159.35222	0.4
185.09773	0.7
186.73898	0.4
200.10828	1.9
212.05956	2.3
213.08228	0.4
215.08273	2.0
227.08269	22.7
228.08829	18.8
229.09825	17.9
235.11830	0.5
241.09900	0.6
242.10580	0.7
243.11398	6.8
256.08566	1.4
258.10016	0.4
259.10825	3.3
271.10907	100.0
273.09021	0.6
288.11197	1.5
289.11978	44.2
293.16064	0.4
303.13571	0.4
307.48303	0.4
315.09912	9.6
327.61835	0.4
333.10995	24.5
337.14584	0.7
339.52173	0.4
347.12445	1.3
365.13522	2.4
376.13342	0.3
378.89468	0.4
379.15109	3.2
390.72083	0.4
397.16434	4.0
397.71561	0.4
502.94876	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63446	1.2
59.01376	11.9
60.99308	8.0
71.01375	2.2
71.03394	1.5
83.91006	1.4
87.00861	3.2
88.00377	6.3
88.98796	100.0
89.02441	18.3
113.34783	1.4
115.03551	1.6
140.84911	1.3
214.60973	1.6
260.45673	1.6
325.73132	1.6
661.43207	3.1
721.44885	7.9
765.26581	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	765.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07409	0.5
69.11015	0.5
71.01370	3.4
73.02900	0.8
73.61581	0.6
77.56188	0.5
78.98600	4.7
78.98975	0.5
79.95734	2.4
80.70810	0.5
80.96514	39.7
81.03453	1.2
87.00867	1.1
94.98078	14.0
101.02405	1.3
106.98074	2.8
114.20448	0.6
122.97565	1.4
125.02409	3.8
134.97601	4.5
136.99115	2.8
148.99115	6.2
152.98640	7.8
164.98637	19.3
167.00226	0.7
183.13864	5.2
206.99670	4.4
213.43892	0.7
225.00760	41.5
255.23303	2.9
509.17151	4.2
537.27399	3.1
765.41089	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
62.27156	0.8
62.97938	0.9
64.03075	0.9
85.02932	1.1
109.97349	1.0
158.65683	1.1
162.80569	1.3
164.05122	1.2
321.51346	1.3
341.18985	1.1
360.79315	1.2
765.44745	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	765.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.4
57.03448	1.5
59.01379	9.4
63.96321	0.3
68.72152	0.3
68.99809	0.5
69.64323	0.3
70.40766	0.3
71.01376	11.0
71.60981	0.4
72.99301	1.6
73.02943	1.4
75.00454	0.7
75.00863	12.0
83.01364	1.3
85.02943	18.1
87.00874	1.3
89.02436	9.3
95.01389	2.8
99.00254	0.5
99.00869	10.7
99.36208	0.3
101.02454	2.5
105.07253	0.3
112.01649	1.3
113.02442	19.3
114.99596	0.3
115.00354	0.7
115.08818	0.3
129.01959	0.5
131.03496	0.7
157.01399	2.9
180.74641	0.3
233.09709	0.5
242.79796	0.4
345.04074	0.4
409.34662	0.4
437.34308	0.6
457.36780	2.1
616.27686	0.4
633.40521	0.5
765.44385	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31489	0.5
59.01382	100.0
70.01949	0.4
71.14016	0.4
76.67601	0.5
87.87292	0.5
88.98814	3.2
109.48820	0.5
270.22403	0.6
343.80392	0.5
482.27112	0.6
618.04779	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05822	0.2
56.69152	0.2
59.01390	0.5
61.67246	0.2
66.60397	0.2
85.02923	0.3
89.02460	0.4
92.23141	0.3
101.02426	0.3
113.02447	0.3
117.03468	0.9
119.05004	2.2
125.02444	0.2
138.74696	0.3
140.84631	0.2
142.60915	0.2
145.02951	4.9
151.00354	2.7
152.01102	0.2
163.04059	2.1
166.15300	0.2
175.38353	0.2
178.99861	1.0
227.03499	6.8
229.04944	0.4
239.03519	0.3
241.05173	0.3
241.48648	0.2
255.02998	20.9
256.03775	4.4
257.04520	0.9
283.02374	1.6
284.03284	100.0
285.04062	9.0
347.94193	0.2
365.47620	0.2
475.52371	0.2
482.46310	0.3
603.13739	4.8
621.14679	3.8
723.38263	0.9
767.18292	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	767.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40939	0.1
59.01386	1.2
83.01409	0.2
89.02473	0.2
99.00957	0.2
107.01366	0.4
112.80202	0.2
117.03460	1.1
119.05026	3.1
122.56902	0.2
125.02480	0.2
128.86945	0.2
145.02946	5.1
151.00320	2.2
152.01096	0.2
159.03082	0.2
163.03999	2.5
178.99898	0.7
180.08832	0.2
227.03487	6.2
228.04254	0.2
229.05186	0.4
241.05013	0.2
255.03000	21.9
256.03802	4.1
257.04654	1.0
283.02545	2.7
284.03281	100.0
285.04050	9.0
297.04141	0.2
298.04852	1.4
299.05609	0.4
325.03720	0.2
327.05023	0.3
339.05142	0.3
341.06494	0.3
357.06610	0.2
424.14661	0.2
593.14551	0.3
603.13635	8.5
621.14697	5.2
675.00665	0.2
767.18274	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	767.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34785	1.7
53.47596	1.5
55.47419	1.7
57.03462	2.1
59.01103	4.5
59.01383	100.0
63.39901	1.8
67.99760	1.8
71.01380	58.5
71.01735	3.5
72.99314	3.5
73.02938	8.6
74.02488	2.3
75.00875	13.0
85.02937	23.5
85.78699	2.3
87.00862	4.6
89.02438	80.1
89.02958	3.8
95.01389	9.3
96.96024	5.2
99.00875	8.3
101.02434	39.6
108.02154	5.1
108.48087	2.0
113.02452	62.9
119.03495	30.7
123.04537	18.6
143.03508	4.0
149.04518	2.5
161.04549	12.9
163.04016	2.1
170.59261	1.9
175.03943	2.9
178.02592	3.6
179.05605	49.2
187.11357	2.7
188.04825	4.5
193.05026	10.1
203.07086	30.0
207.05095	2.6
221.06705	4.5
245.09259	3.6
249.06183	14.8
267.07217	18.8
279.06631	4.9
294.09024	4.6
306.09088	3.1
309.07840	10.0
309.11395	32.6
324.10040	14.2
339.12326	37.3
410.57706	2.5
489.17545	4.6
501.17816	38.1
519.18896	45.2
543.18616	11.6
561.19867	19.2
605.97589	2.3
767.26080	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	767.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28671	0.4
54.73179	0.4
55.01884	0.5
57.03442	0.5
58.00606	0.6
59.01382	100.0
59.22863	0.4
69.03489	0.7
71.01377	45.5
72.99303	0.7
73.02940	31.0
83.01381	7.4
83.50636	0.5
85.02946	8.5
87.00882	2.7
88.86619	0.5
89.02439	57.7
95.01373	3.7
97.02978	0.6
97.29666	0.5
99.00864	1.1
101.02440	46.5
113.02445	31.9
119.03490	19.5
125.02473	0.9
131.03477	4.5
143.03500	5.0
144.27246	0.5
149.04526	7.6
155.03571	0.9
161.04559	16.0
174.20494	0.5
178.03023	0.5
179.05632	9.8
193.05161	0.8
203.05579	1.9
211.49869	0.5
213.78633	0.5
214.46927	0.5
221.06679	8.3
226.05125	0.5
269.04297	0.9
270.04843	0.5
306.09027	1.0
308.10666	0.8
323.34497	0.7
324.10382	0.6
339.12396	1.1
381.13440	0.8
441.15771	0.7
475.11575	0.7
501.17746	63.6
543.18970	0.8
767.21075	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	767.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.7
57.42975	0.6
59.01097	1.3
59.01381	26.4
65.72365	0.7
67.06155	0.5
68.56143	0.6
71.01376	16.6
72.99288	0.6
73.02943	1.2
75.00870	2.6
84.33755	0.6
85.02952	4.9
87.00866	1.2
89.02441	18.9
95.01376	1.0
96.96013	1.0
99.00900	3.0
101.02452	7.1
113.02441	14.4
119.03481	7.1
122.03668	0.7
123.04549	1.5
129.01976	0.8
131.03493	1.0
136.01648	13.9
149.04510	1.0
151.04002	100.0
161.04543	2.8
175.07640	3.1
179.05603	6.3
182.95987	0.6
203.07187	3.9
249.06117	2.8
267.07321	7.1
279.06589	0.8
294.09100	2.7
296.10492	0.7
306.82916	0.6
309.08072	1.3
309.11459	4.0
311.12973	0.9
324.09897	1.4
327.33368	0.7
339.12335	3.9
342.11227	8.7
357.13477	68.2
366.26712	0.7
381.64197	0.8
485.20590	0.7
489.17783	1.4
501.17740	12.6
519.18768	13.6
531.19202	0.9
543.18750	4.8
561.19794	20.0
767.26318	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	767.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36171	5.7
57.03440	5.9
57.58239	5.1
59.01376	100.0
61.72823	5.3
62.56201	4.9
64.97250	5.0
71.01366	46.3
71.37625	5.5
73.02945	30.6
83.01393	9.1
83.97920	6.1
85.02955	12.1
89.02444	47.1
99.04523	9.2
101.02442	51.5
103.16080	6.0
113.02418	35.7
117.73978	6.3
119.03490	14.3
139.05585	6.7
150.03287	6.6
161.04564	11.3
179.05641	12.1
193.05157	10.6
309.07626	8.0
324.10037	10.6
327.12268	11.4
339.12231	14.2
501.17862	27.5
543.18964	13.6
767.26373	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	767.262
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.3
59.01382	22.4
63.43442	0.5
65.13306	0.5
71.01376	11.7
72.56841	0.6
72.99304	2.1
73.02945	0.6
75.00871	10.0
83.05029	0.9
85.02935	10.9
87.00868	4.1
89.02448	4.6
89.02899	0.5
95.01374	3.1
99.00880	7.1
100.97672	0.6
101.02438	1.0
103.00380	2.4
103.84142	0.5
113.02440	25.9
115.00356	0.7
117.01900	2.2
129.01895	2.6
135.04599	0.7
137.61063	0.5
161.09729	1.3
161.13387	1.1
163.04015	0.7
163.11336	1.0
174.72514	0.6
174.74341	0.7
175.02477	1.2
175.03941	1.0
187.11272	3.5
189.09212	0.9
193.05054	0.9
205.07135	2.6
205.12308	3.9
207.05077	0.9
207.10249	1.2
223.13452	0.9
231.05125	1.1
249.06171	14.5
254.35887	0.6
267.07224	21.3
309.08261	0.9
334.00327	0.6
410.86774	0.7
438.48273	0.8
499.18484	0.7
504.84570	0.5
579.15887	0.6
767.26257	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.2
59.01102	0.8
59.01383	20.7
60.84016	0.4
62.43820	0.6
63.46492	0.5
71.01391	9.4
72.99296	1.3
75.00866	10.6
83.05025	0.9
85.02946	11.6
87.00865	5.3
87.33145	0.5
89.02431	3.5
93.03473	0.8
95.01402	3.9
99.00873	6.3
101.02429	0.8
103.00350	0.9
103.88493	0.5
113.02443	25.3
115.00338	1.3
117.01899	1.2
129.01938	0.9
130.97496	0.6
151.51472	0.6
161.09680	0.7
161.13385	2.6
163.11270	2.1
175.02477	2.1
187.11284	3.0
189.09254	1.1
205.07248	1.2
205.12372	2.9
207.05029	0.8
207.10258	3.7
249.06155	16.1
267.07214	24.9
278.98730	0.6
297.84216	0.6
309.08310	0.6
320.83902	0.6
471.22849	0.6
533.17755	0.6
591.23395	0.7
691.86328	0.6
713.23688	0.7
767.26221	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	767.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97548	0.7
57.03446	3.9
59.01375	14.1
63.89588	0.7
67.67241	0.8
68.99812	0.8
69.03437	1.2
70.80525	0.9
71.01390	7.9
72.99297	2.1
73.02948	4.0
79.97535	0.8
83.01398	1.3
85.02934	14.0
87.00861	5.6
87.04468	1.0
89.02415	1.5
97.02934	5.0
99.00868	6.2
101.02425	4.9
111.00819	1.9
113.02422	4.8
115.03941	1.5
119.05014	27.7
129.01932	10.3
134.03711	1.6
141.01933	1.7
145.02962	6.2
159.02953	1.5
161.09709	5.1
163.04004	54.6
168.98541	1.1
175.04005	1.5
187.11319	5.8
189.09219	2.2
191.05592	3.6
193.05054	3.8
209.06657	26.7
237.73050	1.0
255.03001	1.1
284.03317	9.7
285.03979	1.2
296.00732	1.0
299.05606	1.4
314.03992	1.2
355.10498	1.3
357.92523	1.0
513.47638	1.1
575.21814	1.5
605.23187	1.1
669.14545	1.1
681.37042	1.4
723.39014	5.1
767.27954	100.0
770.93036	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97548	0.7
57.03446	3.9
59.01375	14.1
63.89588	0.7
67.67241	0.8
68.99812	0.8
69.03437	1.2
70.80525	0.9
71.01390	7.9
72.99297	2.1
73.02948	4.0
79.97535	0.8
83.01398	1.3
85.02934	14.0
87.00861	5.6
87.04468	1.0
89.02415	1.5
97.02934	5.0
99.00868	6.2
101.02425	4.9
111.00819	1.9
113.02422	4.8
115.03941	1.5
119.05014	27.7
129.01932	10.3
134.03711	1.6
141.01933	1.7
145.02962	6.2
159.02953	1.5
161.09709	5.1
163.04004	54.6
168.98541	1.1
175.04005	1.5
187.11319	5.8
189.09219	2.2
191.05592	3.6
193.05054	3.8
209.06657	26.7
237.73050	1.0
255.03001	1.1
284.03317	9.7
285.03979	1.2
296.00732	1.0
299.05606	1.4
314.03992	1.2
355.10498	1.3
357.92523	1.0
513.47638	1.1
575.21814	1.5
605.23187	1.1
669.14545	1.1
681.37042	1.4
723.39014	5.1
767.27954	100.0
770.93036	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.0
57.36571	1.6
59.01099	3.4
59.01380	71.5
69.38011	1.4
71.01377	31.3
73.02937	7.5
81.03462	2.7
83.01382	7.9
85.02939	9.6
87.00839	4.0
89.02431	32.6
97.02951	1.8
99.00862	3.6
99.08163	1.6
99.69528	1.6
101.02428	32.2
101.39015	1.8
113.02425	17.6
118.41010	1.7
119.03491	8.8
123.08134	2.2
125.02441	8.1
125.09753	3.1
139.11322	2.9
143.03574	2.6
151.11252	1.9
161.04497	5.9
163.11234	2.6
165.12851	23.7
167.10768	9.1
168.11481	1.8
179.05559	2.7
179.14412	1.8
181.12349	4.1
183.13939	2.8
187.42319	1.6
190.00404	1.9
191.10776	3.7
193.16011	6.0
194.83646	1.5
209.11848	48.1
209.13718	2.6
213.78314	1.8
221.06738	2.8
235.08350	2.6
247.20715	24.4
265.21790	4.1
268.23459	1.7
268.86960	1.6
273.18661	6.9
281.21063	2.7
283.23044	2.2
291.19693	100.0
309.20746	98.8
362.61383	1.8
397.13510	58.7
406.88190	1.8
415.14624	44.1
607.26398	9.0
689.33551	13.3
707.34863	87.0
752.43701	1.8
767.45679	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	767.422
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46045	0.6
59.01385	12.2
60.81638	0.7
61.09253	0.6
62.53406	0.7
71.01373	6.3
72.99312	2.9
75.00863	100.0
89.02426	4.7
101.02423	5.3
109.29437	0.7
113.02429	3.2
119.03503	1.4
136.05948	0.7
143.82498	0.7
307.19174	1.1
361.51340	0.9
436.13492	0.8
540.72784	0.8
679.03217	0.8
707.40033	18.4
767.43506	7.4
782.47003	0.8
791.71655	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.423
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.2
60.99308	6.3
62.64268	2.4
71.65556	2.4
84.68707	2.7
87.00874	11.0
88.00413	5.7
88.98799	100.0
89.02438	41.2
90.24986	2.5
221.85881	3.2
222.38361	2.9
324.28165	3.3
374.98618	2.9
711.22345	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	767.423
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44638	0.4
54.78516	0.4
57.03447	2.5
59.01383	34.6
59.01683	1.2
62.11664	0.4
63.66163	0.4
65.74902	0.4
71.01379	1.3
71.05015	3.5
73.02930	1.0
76.59842	0.6
77.94299	0.5
83.05042	0.7
85.02966	6.5
87.04508	22.2
97.06580	2.7
101.06078	4.1
115.07646	5.0
115.08352	0.5
123.08146	1.2
125.06063	6.4
139.07613	4.5
141.09224	1.0
157.08641	1.8
159.10269	26.9
221.63603	0.6
485.29126	0.9
621.40070	3.9
663.41473	5.0
681.42755	2.1
723.43365	100.0
767.42456	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30489	0.7
57.03449	1.5
59.01383	33.2
59.91052	0.7
60.60018	0.7
61.98834	1.2
67.40557	0.8
71.01385	1.5
71.05033	3.4
73.02954	1.2
79.19031	1.1
79.61987	0.8
85.02941	7.6
87.04512	25.2
88.00227	0.9
91.90407	0.9
97.06584	1.8
101.06060	1.1
115.07624	3.7
125.06058	4.7
133.20718	1.0
139.07675	2.0
140.35304	0.9
141.09195	1.0
151.78217	0.8
157.23767	0.8
159.10245	23.9
167.55339	0.9
174.74078	0.9
195.14575	0.9
345.47937	1.0
389.27347	1.0
495.34079	1.2
552.84454	1.1
621.39948	7.4
663.41101	7.6
711.24719	1.2
720.01727	1.0
723.43335	100.0
767.42181	1.4
770.15747	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	12.6
59.01383	27.2
63.15986	2.2
71.01380	25.9
73.02942	12.5
75.00864	2.8
84.20975	2.4
85.02946	17.6
89.02442	13.0
99.00911	3.5
99.04502	11.2
101.02413	27.7
113.02466	19.6
125.02453	5.6
159.03023	3.0
161.04475	6.7
190.80611	3.1
263.42743	3.0
298.04425	3.3
299.29178	3.6
307.19226	4.0
461.34894	10.3
605.39178	5.3
623.40186	48.3
707.40125	5.7
767.44434	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.5
57.03442	0.6
57.27661	0.2
58.00598	0.3
59.01381	55.9
71.01376	29.4
71.01781	0.7
72.99300	1.3
73.02937	2.0
77.16701	0.3
83.01380	1.5
85.02944	5.4
87.00874	0.7
89.02435	35.5
95.01366	2.7
101.02438	18.4
113.02441	15.1
119.03490	10.8
130.87900	0.3
131.03453	0.7
143.03487	0.5
161.04529	0.5
179.05582	1.9
283.02390	0.6
284.02966	0.5
285.03140	0.4
298.04889	1.4
299.05005	1.1
363.79849	0.4
580.67242	0.3
707.40088	1.4
723.20496	0.5
723.39282	0.6
767.45984	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36554	0.8
55.01876	1.0
59.01381	12.3
60.25077	0.9
66.50725	1.0
71.01376	25.9
73.02939	10.8
78.37035	1.0
83.01373	3.6
85.02948	17.2
87.04498	2.3
88.86507	0.9
89.02436	5.9
93.00233	1.1
95.01383	2.0
99.00884	2.3
101.02440	22.4
112.85913	0.9
113.02435	11.5
117.80648	1.0
119.03481	1.6
147.66850	0.9
159.03021	1.0
161.04526	1.9
168.71745	0.9
291.73639	1.1
314.33850	1.0
393.22672	1.0
399.28986	1.4
408.75269	1.1
448.01459	0.9
473.36520	1.1
767.46033	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4926
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99310	10.9
62.43895	0.4
63.99420	0.4
69.34931	0.4
73.03471	0.5
87.00852	2.4
88.00397	2.5
88.98798	100.0
89.02441	9.5
105.54969	0.5
115.88461	0.5
164.56633	0.5
202.93362	0.5
217.49472	0.6
324.68692	0.5
346.99899	0.6
473.42523	0.5
599.56580	0.5
677.49811	2.6
767.50482	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	768.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	61.6
61.98834	100.0
71.01356	4.7
76.43845	3.5
101.02448	7.5
115.06863	3.8
158.92607	3.9
214.12726	3.9
217.64706	4.7
219.99475	4.0
478.66785	5.2
661.43213	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	769.1995
Annotation	Rhamnocitrin 3-(5'''-ferulylapiosyl)-(1->2)-glucoside
Peak:m/z	Relative Intensity
55.95585	0.5
56.14356	0.4
59.01388	0.7
61.01370	0.5
66.17519	0.4
70.93898	0.5
102.20038	0.5
107.15905	0.4
115.22307	0.4
116.92859	0.5
132.02141	0.7
134.03748	5.2
135.04477	0.7
137.90680	0.5
149.06049	1.0
155.06693	0.5
160.01697	4.3
161.02441	0.7
165.01903	3.5
175.04005	6.0
185.10001	0.4
193.05066	2.1
252.53348	0.5
255.02957	4.4
269.04486	0.7
271.06128	2.3
283.02499	63.0
284.03156	5.2
297.04141	0.6
298.04855	100.0
299.05637	14.7
382.29718	0.5
575.14221	18.8
593.15100	9.3
768.22302	0.5
769.19965	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	769.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.3
59.01377	5.3
61.76365	0.3
62.61282	0.3
65.71873	0.3
71.01376	3.6
73.02943	1.9
75.00864	0.5
83.01377	0.8
85.02952	1.7
87.00868	0.4
89.02438	0.5
95.01414	0.4
99.00876	0.4
99.04527	0.8
101.02439	5.1
111.00892	0.4
113.02447	2.7
116.92843	4.7
117.01937	0.9
125.02422	0.8
132.02168	0.6
133.02910	0.5
134.03731	3.3
143.03580	0.4
151.07874	0.3
155.82359	0.4
160.01646	9.7
161.02419	2.8
161.04552	0.7
165.01933	2.6
175.04004	12.5
193.05063	2.2
198.29359	0.4
204.83987	0.3
227.03456	0.4
248.35468	0.4
255.02954	4.7
256.03757	0.6
269.04587	0.5
271.06113	2.0
283.02499	62.7
284.03201	4.6
297.04010	0.5
298.04840	100.0
299.05624	14.4
299.08218	0.5
301.27536	0.5
353.06390	0.5
355.26031	0.4
461.10605	0.4
463.33130	1.2
575.14178	17.0
593.15118	14.4
625.38165	6.1
667.38733	0.4
725.37201	0.5
769.19922	52.7
769.41467	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	769.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	5.0
68.89766	0.7
71.01382	0.9
73.02911	0.9
85.02934	0.7
89.02425	0.7
92.23009	0.8
92.43480	0.7
98.30910	0.7
134.03729	4.3
139.24504	0.7
160.01654	4.8
161.02420	1.1
165.01921	1.3
175.03946	5.5
193.05054	3.4
196.13498	0.8
201.05426	0.8
237.21213	0.8
246.36658	0.8
255.03087	4.9
271.06009	1.2
283.02493	62.9
284.03232	4.3
298.04837	100.0
299.05618	15.1
335.22366	1.0
458.23193	0.9
521.34949	5.1
575.14252	17.9
593.15265	10.2
622.25635	0.9
709.41669	1.8
725.41302	3.2
769.19873	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	769.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.8
57.63200	1.3
59.01382	33.5
64.12691	1.3
67.01873	1.6
69.03428	1.6
69.73634	1.3
71.01382	14.8
73.02942	12.4
73.82011	1.2
74.34911	1.1
78.15160	1.1
79.42152	1.0
81.03455	3.1
83.01386	2.2
85.02945	71.3
87.00861	18.8
93.03451	6.6
95.01373	18.5
97.02919	5.5
99.00862	1.8
99.04487	2.6
101.02434	6.4
109.02937	5.6
110.52125	1.2
111.00856	8.4
113.02435	30.4
115.00394	19.5
119.05011	1.7
123.00839	1.8
125.02393	2.1
127.03997	31.6
129.01929	7.5
136.12852	1.4
137.02440	5.5
138.99432	1.4
139.00359	13.6
145.05103	1.7
149.06093	2.4
155.03494	2.0
157.01395	15.2
163.03981	12.6
165.05583	1.4
173.04510	8.3
176.53714	1.5
199.02489	17.3
217.03618	13.5
225.05939	1.3
242.53946	1.4
259.04587	5.7
271.10809	5.0
275.19653	1.5
345.08237	18.4
355.10291	3.0
363.09531	9.8
387.09366	14.6
405.10345	10.5
665.15393	2.8
751.19678	22.0
769.20575	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	769.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.1
57.03440	7.2
58.51001	1.0
59.01381	100.0
60.75341	0.9
62.29825	0.9
63.92221	1.2
67.01871	4.5
69.03446	7.2
71.01376	15.9
72.99308	2.4
73.02939	9.7
77.33846	0.9
81.03433	9.2
81.39188	1.0
83.01388	9.4
83.05022	7.9
85.02942	69.7
87.00867	16.5
89.02421	7.4
90.45217	1.0
93.03448	13.4
95.01380	52.1
96.95984	2.5
97.02933	8.9
99.00849	8.1
99.04504	15.0
101.02442	9.2
107.05039	1.6
108.02173	1.2
109.02942	26.9
111.00862	53.2
111.04496	4.1
113.02431	32.3
115.00349	1.5
121.02884	1.1
123.04516	4.4
125.02393	7.1
127.04006	47.0
129.01959	1.4
135.04462	1.7
137.02414	11.5
139.00369	59.2
139.03979	1.8
141.05533	1.8
145.05031	11.0
149.02386	1.3
151.03990	2.2
153.01921	5.8
155.03470	9.9
157.01384	6.5
161.04530	1.6
163.03961	6.0
163.06104	2.4
165.05595	1.5
171.02963	5.5
179.03520	1.5
181.01477	1.3
181.05031	1.2
191.05524	2.3
193.05008	1.1
193.68272	1.0
199.02502	32.8
202.61494	1.1
206.52684	1.0
226.64799	1.2
239.69200	1.1
259.08203	1.7
277.05566	2.0
285.06088	4.2
303.07138	8.2
325.09351	2.4
329.13992	6.3
345.08200	23.0
363.09290	4.1
379.16318	1.9
387.09430	34.8
405.10391	43.1
493.12442	3.8
551.16022	4.9
569.17236	13.5
579.15710	10.6
597.16858	25.4
647.18817	2.5
665.19421	11.6
709.18616	14.4
737.38251	1.7
751.19501	4.4
769.20538	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	769.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.8
57.63200	1.3
59.01382	33.5
64.12691	1.3
67.01873	1.6
69.03428	1.6
69.73634	1.3
71.01382	14.8
73.02942	12.4
73.82011	1.2
74.34911	1.1
78.15160	1.1
79.42152	1.0
81.03455	3.1
83.01386	2.2
85.02945	71.3
87.00861	18.8
93.03451	6.6
95.01373	18.5
97.02919	5.5
99.00862	1.8
99.04487	2.6
101.02434	6.4
109.02937	5.6
110.52125	1.2
111.00856	8.4
113.02435	30.4
115.00394	19.5
119.05011	1.7
123.00839	1.8
125.02393	2.1
127.03997	31.6
129.01929	7.5
136.12852	1.4
137.02440	5.5
138.99432	1.4
139.00359	13.6
145.05103	1.7
149.06093	2.4
155.03494	2.0
157.01395	15.2
163.03981	12.6
165.05583	1.4
173.04510	8.3
176.53714	1.5
199.02489	17.3
217.03618	13.5
225.05939	1.3
242.53946	1.4
259.04587	5.7
271.10809	5.0
275.19653	1.5
345.08237	18.4
355.10291	3.0
363.09531	9.8
387.09366	14.6
405.10345	10.5
665.15393	2.8
751.19678	22.0
769.20575	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	769.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68314	1.1
57.03431	2.4
59.01382	28.0
69.03452	7.4
71.01382	17.3
72.99297	2.0
73.02946	18.8
75.22688	1.4
81.03419	2.1
83.01386	3.2
85.02946	53.9
87.00869	98.5
95.01376	11.6
97.02943	35.0
99.04502	2.5
101.02443	2.8
103.04016	9.8
106.97100	1.6
109.02927	6.4
111.00877	3.3
113.02445	44.7
115.00368	15.4
115.03966	2.9
122.49345	1.5
127.04016	15.0
129.01915	1.9
139.00334	7.2
150.05542	5.8
155.03532	2.0
157.01463	11.5
173.04593	11.4
175.02484	15.6
180.11929	1.9
189.71443	1.4
191.39528	1.4
191.81160	1.8
199.02505	6.0
209.23207	1.6
217.03499	18.3
230.05540	1.5
246.62956	1.5
303.07239	2.1
321.08188	6.0
387.09277	2.5
487.49323	1.6
674.17456	1.7
709.18451	100.0
769.20551	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	769.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	5.5
59.01381	35.8
69.19627	1.1
71.01372	26.0
72.99313	2.9
73.02950	6.1
73.76129	1.3
75.00872	14.1
85.02943	19.5
87.00870	5.7
89.02451	15.6
92.23080	3.0
95.01377	7.9
96.96003	1.6
99.00867	9.8
99.04516	5.5
101.02423	17.1
101.33028	1.4
113.02426	35.7
117.01915	1.6
119.03497	5.4
119.05009	3.2
125.02423	2.3
127.52734	1.3
129.01945	2.1
145.02946	6.0
146.03380	1.9
151.00464	2.5
157.01447	1.6
175.96225	1.3
195.13925	7.0
213.15005	5.1
227.03499	5.8
228.03830	2.3
249.06110	12.2
255.02986	20.2
256.03403	15.5
257.03589	5.3
267.07330	2.1
283.02551	1.8
284.03265	85.6
285.03647	64.4
286.03885	45.1
287.04684	2.0
357.19168	7.9
375.20227	26.7
412.01541	1.6
466.45639	1.5
604.14050	2.6
605.14111	7.0
623.15894	2.9
625.27612	21.7
665.37579	7.8
667.28406	7.8
683.38446	2.7
707.32037	1.9
725.39948	29.7
769.18707	88.3
769.31458	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74067	5.4
59.01380	37.1
91.37907	5.7
140.75917	5.9
172.87224	6.3
181.03955	6.1
191.78941	7.1
193.52525	5.7
203.27280	5.6
272.04068	5.8
283.02603	11.7
298.04895	25.9
299.05457	8.1
326.10684	5.8
523.13202	6.6
769.33453	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	769.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	38.6
59.01108	3.3
59.01382	71.7
71.01377	34.9
73.02933	12.2
83.01387	4.7
85.02944	27.7
89.02434	6.6
95.01395	2.8
97.02985	4.0
99.00877	2.9
99.04488	20.9
101.02446	56.1
108.67504	2.5
111.00867	4.5
112.01669	2.9
113.02463	28.1
116.92850	3.3
119.03469	4.3
124.01675	5.8
124.15038	2.5
125.02466	21.7
134.66026	2.6
143.03503	4.6
159.03015	4.7
161.04524	16.4
175.04036	3.7
175.86282	2.7
194.08003	3.0
299.05441	3.5
359.24341	6.7
362.49286	3.1
377.25482	14.1
406.14487	3.0
487.73181	3.2
521.29626	36.6
539.30865	35.6
563.30756	12.0
581.31970	100.0
623.33014	13.3
719.40271	3.4
725.36090	91.7
769.35748	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	769.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80437	1.0
55.01895	1.3
57.03452	37.1
59.01384	81.8
59.01687	2.8
61.60963	1.0
71.01379	31.7
73.02924	12.2
73.71037	1.3
75.00861	2.4
75.04279	1.2
83.01376	2.5
85.02952	19.0
86.00105	1.7
87.00877	2.1
89.02438	11.1
89.02911	1.3
89.71790	1.2
95.01386	5.0
97.02930	2.6
99.00845	3.1
99.04517	14.2
101.02434	38.0
111.00878	2.5
113.02438	41.1
119.03484	3.2
124.01661	2.9
125.02424	18.0
129.01927	1.4
143.03531	7.3
159.02950	5.0
161.04546	10.8
214.59767	1.3
215.20154	1.5
225.32448	1.5
283.02530	6.1
285.02692	1.4
298.04770	5.3
299.05295	2.0
359.24353	2.6
369.80374	1.3
377.25485	11.3
504.26157	1.5
521.29755	21.2
539.30829	25.4
563.30737	12.9
581.31879	67.7
581.41217	2.2
621.35303	1.7
623.33038	18.5
639.36768	1.8
660.84253	1.6
681.18488	1.5
709.41626	10.2
725.36047	100.0
766.92975	1.4
769.34448	15.3
769.46277	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
67.66006	1.0
69.03475	1.3
69.22540	1.0
71.01378	29.1
73.02943	95.2
78.69244	1.0
83.01385	16.8
85.02943	5.7
89.02451	11.3
95.01372	2.0
100.09081	1.1
101.02438	71.0
113.02445	21.2
117.01102	0.9
119.03463	7.1
125.02462	1.3
131.03464	7.9
143.03444	3.9
145.80299	1.1
149.04543	14.1
149.93382	1.0
153.09152	1.2
155.03531	1.9
161.04547	31.3
203.05756	1.9
221.04721	1.8
221.06662	25.4
279.48633	1.2
331.17297	1.0
363.50464	1.1
404.10370	1.1
430.45322	1.3
501.51630	1.2
574.90259	1.0
665.40063	4.0
689.39252	1.6
725.41315	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	769.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
71.01387	13.4
73.02934	11.6
77.04672	2.6
87.00929	2.9
88.56400	2.5
101.02451	12.3
106.74572	2.8
108.00353	2.6
109.02677	3.2
252.39742	3.5
308.01038	3.1
345.22717	14.5
382.89365	3.4
649.39941	11.4
667.41174	3.5
709.41638	52.4
769.43781	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	769.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
66.47555	0.7
71.01378	12.9
73.02939	7.6
74.38888	0.8
75.14387	0.7
83.01393	2.0
85.02944	4.6
89.02428	5.3
91.38064	0.9
91.65539	1.0
92.23090	1.2
95.01334	0.7
101.02441	10.4
113.02444	9.2
119.03477	1.2
124.56935	1.0
128.39006	0.9
161.04564	1.9
172.65065	0.8
248.01935	1.0
495.89136	1.0
621.35126	1.2
649.39777	9.9
709.41742	51.7
725.40387	3.5
769.43964	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	769.438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	46.9
71.01375	20.9
73.02938	9.5
77.77885	1.1
78.63737	1.2
83.01360	1.4
85.02939	7.8
89.02440	20.1
89.11420	1.3
99.00870	1.5
101.02428	18.6
113.02425	14.6
119.03521	9.6
264.14279	1.3
272.26672	1.2
297.91882	1.2
331.24310	1.4
354.98901	1.2
469.81085	1.3
469.87668	1.5
521.34924	22.1
582.91876	1.4
709.41736	100.0
725.40833	6.0
769.44025	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	769.4383
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.8
64.12407	0.3
72.99306	4.9
73.99638	0.3
75.00866	100.0
93.19963	0.3
111.22958	0.3
141.54970	0.3
152.50500	0.3
253.03078	0.4
287.02698	0.4
306.03589	0.4
468.95135	0.4
693.42340	3.4
709.41907	0.8
769.44153	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	769.4383
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01101	2.5
59.01384	55.2
66.63184	1.5
69.14841	1.7
71.01379	27.1
71.02605	1.7
73.02941	7.6
73.15577	1.6
74.89745	1.5
79.19710	1.6
83.01382	3.8
85.02953	7.9
87.00864	1.9
89.02434	22.5
101.02431	25.0
113.02428	16.9
119.03491	7.7
161.40990	1.9
163.10855	2.1
298.04904	8.0
299.05566	3.5
310.64969	2.2
385.70847	1.9
474.83640	2.2
618.46014	2.0
709.41754	100.0
716.69458	2.4
769.19617	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	769.4392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72873	1.1
54.53347	1.1
55.05263	1.0
59.01101	2.5
59.01383	65.6
62.06713	1.1
64.94028	1.4
65.32532	1.2
66.45670	1.4
67.50877	1.3
71.01381	21.7
73.02930	2.4
83.01402	2.1
85.02924	9.6
89.02444	18.2
92.23076	1.9
98.64763	1.6
99.00867	1.5
101.02448	17.7
113.02435	15.5
119.03474	6.8
158.82314	1.5
161.04645	1.9
179.05618	2.6
191.69260	1.4
283.02484	9.3
295.81537	1.7
298.04880	17.0
299.05548	2.8
351.31805	1.7
689.38342	2.5
709.41736	100.0
769.19971	9.5
769.32318	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	769.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
74.18409	1.6
81.35909	2.1
86.70544	1.9
97.48032	2.0
126.05621	3.4
126.45729	2.0
127.05090	3.1
128.03552	4.7
145.09831	34.7
157.77359	1.8
165.10329	2.6
166.08714	4.8
169.60779	2.0
199.76320	2.0
200.17734	3.2
208.10896	30.5
209.09305	4.6
219.61971	2.1
226.11995	39.9
244.13017	2.3
244.16696	3.2
271.21451	17.5
281.22433	2.0
296.74399	2.1
315.20541	2.5
333.58176	2.1
335.20844	4.9
338.51801	2.2
370.28586	2.5
414.27298	2.7
525.30518	15.0
646.95569	2.6
769.44940	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.8
57.03452	1.3
59.01381	16.0
61.98824	1.2
65.69798	0.6
69.03432	0.9
69.30892	0.8
69.64440	0.6
71.01380	31.7
71.01778	1.1
73.02940	10.9
75.00845	0.9
81.48013	0.6
83.01376	4.6
85.02937	17.0
89.02439	7.8
95.01376	3.0
97.02956	0.7
99.00868	4.8
101.02440	22.1
113.02445	14.5
118.05113	3.4
119.03497	1.5
119.37221	0.7
125.02414	1.2
131.03529	1.3
159.02991	0.9
161.04562	3.0
175.08368	1.8
177.84114	0.8
179.84959	0.9
211.13377	1.2
224.41541	0.8
232.80978	0.7
271.47241	0.7
293.21268	1.2
311.22318	6.7
397.13498	1.2
415.14963	1.3
709.36353	5.9
730.92603	0.8
748.12244	1.1
769.47528	100.0
770.02557	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
59.23652	0.9
65.49181	0.9
73.91347	0.9
92.22463	1.8
136.56050	0.9
137.23903	1.0
508.01065	1.3
769.47510	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	771.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92354	0.6
55.39494	0.6
59.01379	32.0
62.15331	0.5
69.56116	0.5
70.07798	0.5
72.99305	1.0
119.05009	1.2
147.04517	90.0
157.55623	0.6
165.05559	100.0
207.06631	65.9
207.48213	0.6
236.06979	0.6
510.74609	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75748	1.3
57.03445	8.3
59.01379	37.8
71.01376	14.0
73.02947	1.3
73.35246	1.3
75.00862	9.9
83.01385	2.5
85.02939	12.2
87.00859	2.2
89.02435	6.6
95.01383	2.4
99.00856	5.9
99.04494	6.8
101.02423	2.5
102.63000	1.3
103.00364	1.7
104.87260	1.3
113.02435	32.5
117.01904	1.6
121.32935	1.4
125.02445	3.2
130.63501	1.4
146.50952	1.6
151.04030	1.9
175.03961	1.7
249.06210	11.1
267.07208	56.0
271.44122	1.7
283.02414	5.5
284.02869	2.0
285.03040	2.7
298.04868	5.9
299.05316	6.2
309.08289	1.8
351.09528	1.4
361.33701	1.6
727.30298	100.0
771.19153	2.3
771.31299	8.3
771.43347	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	771.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
63.99524	0.2
64.22552	0.3
71.75867	0.2
76.08229	0.2
79.84690	0.2
99.92585	3.3
116.92854	100.0
117.01911	1.0
127.87227	0.2
144.45656	0.2
171.10480	0.3
268.31992	0.2
280.87939	0.2
399.87543	0.3
410.17850	0.3
474.69931	0.3
553.06390	0.3
777.18176	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60129	1.7
59.01381	17.2
59.01627	1.7
63.74359	1.7
69.28548	1.9
73.02950	4.9
74.43181	2.1
77.59450	1.6
83.01443	1.8
95.31097	2.0
101.02441	5.0
113.02465	3.7
165.01941	2.6
167.68279	2.1
180.30690	2.1
241.87769	1.9
299.05658	12.8
309.64719	2.2
356.07047	2.1
356.11401	2.3
400.00284	2.7
481.42664	2.2
560.30743	2.3
598.32507	2.4
691.40631	10.5
727.38416	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.5
59.01383	100.0
62.37444	0.5
71.01380	1.3
73.02949	0.7
73.34851	0.5
83.01382	0.5
85.02934	1.2
98.09045	0.5
101.02442	2.0
113.02467	4.3
125.36956	0.5
127.18665	0.5
146.96860	0.5
173.98033	0.6
244.69847	0.5
257.73987	0.6
475.20551	0.9
507.36987	0.7
651.41132	9.7
669.42487	1.1
711.43341	33.7
758.86829	0.7
771.45435	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	775.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
62.72619	0.7
72.58833	0.7
73.07146	0.7
99.92540	5.3
113.78828	0.8
114.93405	5.0
116.92853	100.0
157.08769	0.7
172.04108	0.8
194.36493	0.7
414.85895	0.8
484.79803	0.8
508.51462	0.8
524.20813	0.9
569.09949	1.5
775.15912	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	775.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97553	0.2
73.02933	0.3
74.29195	0.2
80.96563	0.2
86.05335	0.2
87.00894	0.4
99.92577	4.7
108.23390	0.2
114.93422	1.5
116.92854	100.0
117.01937	0.9
125.42542	0.2
225.00789	0.2
303.61877	0.2
357.42557	0.2
775.16113	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	775.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	90.9
59.01381	60.8
61.63726	1.0
62.05032	0.9
66.28418	1.0
66.78910	1.1
68.76115	1.0
71.01366	6.8
73.02975	1.4
89.02449	18.9
99.04511	93.3
101.02423	22.2
105.47831	1.3
113.02444	6.4
114.33553	1.1
119.03493	7.5
125.02435	31.5
143.03488	2.9
144.76128	1.2
161.04539	1.4
221.06781	1.4
261.13565	1.7
303.14532	19.0
343.17703	1.6
361.19037	1.3
396.37384	1.4
405.17679	100.0
488.20966	1.4
593.95282	1.4
627.57263	1.3
650.31158	1.4
671.38159	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	775.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57394	0.7
59.01382	81.5
71.01381	13.7
73.02943	4.4
83.01389	1.6
83.16030	0.7
84.14733	0.9
85.02946	8.0
87.04510	1.1
87.48643	0.8
97.02971	1.0
99.00848	1.5
101.02428	12.7
106.07145	0.9
113.02425	11.4
159.02957	1.4
161.04546	4.3
212.06529	0.8
275.29117	0.8
415.32153	5.2
475.33966	2.0
489.35950	1.7
491.37558	15.3
549.46588	0.9
635.41699	28.5
653.42767	6.3
688.44263	1.0
695.43835	100.0
787.68115	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45484	2.2
55.57293	2.1
59.41200	1.9
60.44162	1.8
61.98820	2.9
99.92585	13.0
116.92012	4.3
116.92844	100.0
137.47789	2.3
150.30179	2.5
161.51122	2.6
181.50516	2.9
230.62801	2.4
240.06264	2.6
246.60097	2.4
259.02704	2.3
410.74713	2.7
430.83701	2.7
529.87543	2.5
648.73956	2.8
659.24030	5.2
759.15924	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	777.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05737	0.4
71.19604	0.5
83.71941	0.5
99.92574	9.1
100.93359	0.7
114.54072	0.7
115.92058	2.3
116.92851	100.0
118.32287	0.5
134.00932	0.6
140.59926	0.5
148.99130	0.6
171.29413	0.6
217.20671	0.7
225.00548	0.7
336.79437	0.5
512.17145	3.0
555.19080	1.3
659.23700	8.7
727.25104	0.6
759.16394	10.6
768.31287	0.7
777.41150	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.6
64.89981	0.7
66.00918	0.7
71.01402	0.8
82.95426	1.4
84.95100	1.8
95.57809	0.7
103.43849	0.8
113.02443	0.8
115.07661	1.8
152.84201	0.8
165.01994	1.4
167.14816	0.9
255.03027	5.8
269.04572	1.0
283.02509	74.5
284.03226	3.2
298.04843	100.0
299.05713	9.6
617.15216	11.7
635.16125	2.0
733.23578	59.8
738.40802	0.9
777.44104	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	777.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02979	2.6
59.01379	100.0
70.02978	6.1
71.01374	14.6
73.02937	25.7
74.02467	23.8
83.01386	5.6
85.02946	5.4
87.00863	5.9
89.02449	1.2
96.96045	1.2
97.02949	1.4
98.02460	4.5
99.00899	1.2
99.04525	8.3
101.02441	24.3
113.02430	9.2
116.03528	12.5
116.05046	5.1
121.06542	1.9
125.02449	1.1
139.07701	1.4
145.05103	3.6
159.03004	2.1
161.04532	17.1
165.09186	30.3
174.95906	1.1
181.08684	11.1
201.10339	4.7
203.08275	46.9
203.10342	2.0
203.10831	1.4
217.07176	13.8
235.08238	16.2
239.22160	1.1
245.09315	52.7
277.09274	81.5
289.08368	1.9
347.48859	1.2
443.19220	15.1
452.67133	1.1
487.18234	2.3
629.68994	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.9
59.01380	8.7
63.23331	0.6
66.09303	0.5
68.58984	0.6
71.01011	0.7
71.01377	11.7
72.99267	0.6
75.00878	5.8
83.01391	1.0
85.02483	0.8
85.02947	16.4
87.00864	1.3
87.83274	0.6
89.02447	6.0
95.01360	3.5
99.00271	0.9
99.00874	18.1
101.02431	1.1
112.01646	1.0
113.02435	19.1
127.54855	0.5
157.01431	0.8
190.49457	0.6
377.28415	7.8
377.49155	0.6
405.27695	1.2
407.28244	0.6
425.30649	16.2
432.53900	0.7
539.33417	3.6
581.30823	0.7
583.32855	11.5
650.81860	0.7
737.54736	0.7
777.36902	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
71.01376	25.0
71.65331	1.2
73.02934	29.3
78.39622	1.5
83.01383	5.7
85.02948	10.2
87.00895	2.0
89.02440	14.3
92.22929	5.5
95.01370	2.0
101.02438	28.8
113.02444	22.7
119.03477	1.5
149.04605	1.4
161.04535	14.4
167.79633	1.2
179.05620	2.5
184.51396	1.3
200.68385	1.2
221.06731	2.9
240.59999	1.4
257.57755	1.3
261.13715	1.6
306.20020	1.6
643.51208	1.4
673.39655	31.7
691.40643	28.9
733.41803	65.1
742.47321	1.4
768.17468	1.5
768.32330	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	777.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92933	0.8
55.01873	1.0
55.92979	1.0
57.03438	1.5
59.01381	100.0
71.01378	33.2
73.02939	31.5
83.01389	6.0
85.02939	10.2
89.02431	18.7
92.23029	1.9
95.01351	4.9
99.00871	2.1
101.02430	36.7
112.06762	1.0
113.02446	28.5
119.03477	11.0
130.25177	1.2
131.03461	2.1
143.03467	2.2
151.46843	1.1
161.04550	10.8
171.26694	1.1
179.05629	13.1
183.13904	1.6
247.92952	1.3
274.41724	1.3
339.33337	1.2
673.39575	51.1
691.40668	12.7
733.41797	57.0
777.45782	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	779.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	13.7
63.88195	0.6
71.01375	0.9
85.02944	1.2
89.02437	0.7
93.03455	0.9
101.02403	1.6
113.02454	2.7
141.40564	0.7
154.34663	0.6
159.46935	0.6
160.10104	0.7
161.04617	0.7
165.01927	20.6
190.40152	0.7
201.26889	0.6
212.73096	0.7
240.04346	3.7
255.03023	1.2
255.06717	1.1
256.03738	1.4
271.06143	21.1
283.02493	13.1
284.03302	8.8
290.91293	0.7
297.04065	3.1
298.04834	33.8
299.05627	100.0
315.41107	0.8
333.19098	1.6
341.06610	2.9
357.19080	1.0
365.23657	0.8
503.12073	21.7
531.15118	35.9
531.23157	1.2
612.18066	0.7
624.59113	0.7
779.45087	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	779.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.3
59.01380	3.7
63.67472	0.5
71.01365	4.5
72.99308	2.4
75.00865	9.6
80.77415	0.5
85.02942	7.8
87.00878	0.9
89.02420	3.1
89.52641	0.6
92.23088	1.1
99.00877	7.9
101.02425	0.8
119.05015	21.1
128.82909	0.6
129.01924	20.7
134.03735	0.7
145.02905	0.9
159.02977	2.3
163.04002	67.4
177.04051	10.3
195.05106	60.5
278.19894	0.5
331.81534	0.6
341.08789	100.0
709.77417	0.7
748.47540	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	15.6
61.18502	0.7
71.01374	23.2
72.99308	0.8
73.02940	1.5
81.65816	0.8
83.01369	1.7
85.02946	11.3
87.00870	7.9
87.79214	0.7
89.02440	9.9
91.70105	0.7
95.01380	6.4
97.02930	1.0
101.02444	4.9
109.02959	1.1
111.00859	1.0
112.01646	1.6
113.02441	25.9
115.03996	0.9
117.13101	0.7
119.03522	0.8
131.03500	9.7
137.02496	0.9
139.04079	0.6
151.06131	29.0
173.04529	4.0
191.05611	1.5
205.07191	2.9
219.05087	0.9
238.70963	0.7
245.06647	4.6
265.09247	0.8
283.10352	1.0
305.08752	1.2
441.97000	0.7
779.24719	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.7
59.01380	12.0
66.78760	0.8
71.01376	12.4
75.00866	10.6
83.01385	1.9
85.02949	16.0
89.02453	8.6
95.01355	1.8
99.00881	11.6
101.02440	0.9
108.19537	0.8
111.68430	1.0
113.02444	23.7
135.06139	0.8
157.01382	1.4
283.02457	18.6
298.04858	17.2
319.75565	0.9
423.28873	1.7
425.31067	1.3
427.32190	1.4
471.31094	7.4
585.34149	1.3
691.18665	14.6
779.38556	100.0
799.24329	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92293	0.8
59.01381	87.2
59.05151	0.9
62.48096	0.8
65.03488	0.9
71.01371	29.9
71.01732	1.5
73.02942	33.9
78.86604	0.9
83.01403	7.8
85.02943	13.3
89.02435	19.2
93.16077	1.1
95.01342	3.5
98.33492	0.9
101.02438	31.9
113.02437	29.4
119.03487	7.3
131.03539	1.1
134.98804	1.0
143.03465	1.0
147.60139	1.1
161.04564	5.9
168.17982	1.1
179.05577	2.2
213.63210	1.2
221.06718	1.6
228.55722	1.1
274.45642	1.2
332.39850	1.2
632.13409	1.3
675.41351	37.7
693.41937	17.9
735.43317	100.0
779.23859	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	779.4216
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	21.6
66.31998	0.6
66.88235	0.6
71.01382	4.3
73.02953	2.5
85.03006	0.7
87.00865	100.0
88.88314	0.6
88.96750	0.6
89.02429	1.7
92.22545	0.6
101.02422	3.6
113.02443	1.2
119.03516	0.9
131.99864	0.7
161.04550	0.8
162.70886	0.6
163.03986	0.7
283.02420	0.9
284.17331	0.8
524.64124	0.8
675.41339	11.4
693.41595	5.1
735.24255	1.3
735.42908	10.6
770.86407	1.0
779.43530	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	779.4229
Annotation	Digoxin
Peak:m/z	Relative Intensity
54.54444	1.1
54.55410	1.2
59.01379	100.0
60.74411	1.4
70.63624	1.5
71.01373	32.6
73.02941	23.3
77.61089	1.6
83.01375	3.2
85.02942	9.6
87.00875	2.0
89.02438	23.8
93.05325	1.4
95.01382	2.3
101.02421	25.4
113.02444	30.5
119.03494	6.6
152.11403	1.6
161.04524	6.2
305.31973	1.6
327.38309	1.5
445.57507	1.7
516.23175	1.6
599.85852	1.7
675.41217	62.7
693.42432	29.4
735.43274	72.2
746.59735	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	779.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12051	0.7
57.03444	1.4
59.01380	14.7
59.24469	0.8
63.87013	1.0
64.49966	0.8
64.92423	0.8
67.13694	0.9
71.01391	11.0
73.02928	1.8
75.00865	12.4
85.02949	16.0
88.19611	0.9
89.02467	8.5
95.01376	1.7
97.83874	1.1
99.00863	11.1
101.02438	1.8
112.01567	1.3
113.02431	21.3
121.06226	1.0
134.34966	1.0
139.00397	1.0
145.83005	1.0
157.01373	1.3
402.41623	1.1
423.32767	9.2
453.33627	1.2
471.34836	23.3
585.38092	7.9
623.40173	1.0
629.36890	10.0
779.42316	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
71.01384	16.7
73.02940	4.0
79.61845	3.3
87.38767	3.6
89.02429	15.5
89.25260	3.5
101.02390	5.2
108.32680	4.1
113.02451	15.5
119.03484	3.6
150.40135	3.4
244.57068	4.1
306.93704	3.8
313.86536	3.8
675.41248	27.6
693.42542	8.3
735.43488	31.8
798.95209	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	779.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72786	1.5
71.01370	2.4
78.98580	3.5
80.96513	38.4
94.98072	11.2
99.05383	1.8
101.02464	2.5
105.39072	1.7
116.92866	2.3
125.02423	3.8
134.97604	8.0
148.99100	8.4
152.77292	1.9
152.98643	2.9
164.98593	16.3
183.14006	2.8
206.99660	4.0
225.00775	44.9
304.35336	2.0
358.91736	2.0
377.82715	1.8
509.17102	3.4
601.72998	2.0
779.42798	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90392	0.4
58.94495	0.5
59.01374	0.8
59.57253	0.5
60.21573	0.5
63.96276	0.5
71.01384	4.4
78.98602	4.3
79.95750	4.1
80.96513	43.8
85.02924	1.0
94.98089	11.8
97.02939	1.1
101.02431	2.6
104.14010	0.5
106.98080	1.3
107.13692	0.5
122.80323	0.7
122.97583	1.3
125.02409	2.8
134.97592	4.9
136.99158	1.1
148.99132	5.5
152.98645	9.2
164.98625	18.6
183.13873	4.3
206.99692	5.8
225.00755	44.6
238.94281	0.6
269.24908	3.7
283.05081	0.9
297.24313	0.6
342.82745	0.6
352.44104	0.6
447.51047	0.6
465.17569	0.7
509.16675	5.1
551.28790	2.9
632.58362	0.6
759.68610	0.7
779.42676	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4581
Annotation	Carnosifloside I
Peak:m/z	Relative Intensity
55.01870	0.3
57.03437	1.5
58.00585	0.6
59.01381	34.9
69.03520	0.3
71.01379	26.6
72.99306	1.4
73.02943	4.1
79.02843	0.3
83.01371	1.9
83.61076	0.3
85.02950	13.5
87.00862	1.5
89.02438	22.2
95.01375	5.2
97.02934	0.7
99.00864	1.7
101.02437	14.7
113.02447	25.8
119.03497	7.0
125.02431	0.5
143.03464	0.6
161.04564	1.4
179.05589	0.5
542.59564	0.4
675.40765	0.4
693.42029	0.6
735.43518	0.6
779.45953	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.1
56.97752	0.3
57.03466	1.3
59.01384	12.7
68.04051	0.4
71.01376	21.4
73.02935	10.0
73.88525	0.5
74.12953	0.4
75.00865	0.7
83.01384	5.6
85.02948	12.7
86.00086	0.5
87.00865	1.9
89.02444	4.3
95.01375	2.8
97.02931	0.5
99.00882	4.0
101.02444	22.5
111.00883	0.9
113.02441	13.8
119.03504	0.9
125.02496	0.6
129.01959	0.9
134.20192	0.4
143.03474	0.5
159.03014	1.7
161.04568	2.2
215.42851	0.4
455.35483	2.1
534.64044	0.5
617.40222	2.0
635.41565	1.0
779.45959	100.0
792.16962	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4598
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83176	0.8
58.97056	0.8
59.01385	100.0
68.67892	0.8
71.01364	3.9
71.31753	0.8
73.02955	3.4
81.86706	0.9
89.02430	1.1
101.02418	1.7
113.02473	2.2
138.17558	0.9
182.48105	1.0
198.26665	0.9
260.83170	1.0
358.64676	1.2
675.41083	4.4
719.43799	15.7
735.43115	5.9
779.45850	19.6
784.46161	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4588
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01105	2.3
59.01385	58.2
69.14136	1.4
71.01375	24.3
73.02934	1.9
85.02935	3.0
85.52575	1.4
89.02442	34.8
95.01376	1.7
96.21904	1.4
101.02434	15.9
109.71933	1.5
113.02422	9.0
119.03471	10.5
143.96365	1.6
329.52405	1.5
481.01807	1.6
719.43506	7.1
779.46008	100.0
779.60718	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	779.4608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.7
55.70100	0.8
57.03449	1.2
59.01382	36.7
60.52331	0.9
64.76728	0.8
65.43115	0.8
71.01379	39.3
73.02947	8.6
82.44521	0.9
83.01392	3.7
85.02945	24.6
89.02435	20.6
95.01376	7.0
99.00885	4.5
101.02442	15.5
112.01623	1.3
113.02444	34.5
113.03204	1.7
119.03503	5.7
133.55013	0.9
135.29082	0.9
155.10173	1.0
582.59711	1.1
779.46545	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4596
Annotation	Carnosifloside I
Peak:m/z	Relative Intensity
58.00565	0.8
59.01383	45.8
59.61207	0.5
60.39397	0.6
67.57437	0.6
71.01377	25.4
72.99316	1.0
73.02963	1.4
74.02559	0.5
75.53245	0.6
83.01380	1.0
85.02937	6.7
89.02438	26.7
90.26533	0.6
95.01363	1.7
99.00857	0.8
101.02443	16.3
113.02447	13.4
115.02041	0.6
119.03474	9.2
133.47073	0.6
143.03458	1.0
379.00046	0.7
430.08249	0.7
635.41516	1.4
779.45959	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4596
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	8.9
64.38582	3.2
71.01380	9.5
73.23872	3.6
75.00881	7.5
85.02963	8.1
87.00825	5.9
92.22468	5.2
94.46507	3.6
99.00867	15.7
101.02433	7.9
113.02470	15.7
116.92828	16.0
124.45881	3.9
127.26500	3.7
163.53841	4.0
397.18286	4.4
676.32489	5.1
777.30133	4.7
779.45758	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14167	0.5
58.93784	0.5
68.07119	0.5
77.27135	0.6
89.11653	0.5
97.05656	0.6
102.94817	0.5
107.01368	1.1
116.51250	0.5
123.23206	0.6
151.00356	15.4
169.01404	4.1
191.90955	0.6
194.76588	0.6
229.05032	0.7
241.05086	1.3
255.03119	4.3
257.04565	10.1
283.02481	1.0
284.03287	44.9
285.04065	100.0
297.03885	0.8
300.09857	0.9
309.07596	0.7
322.08517	0.7
323.09409	0.6
324.09772	0.7
327.05194	2.6
331.11899	1.1
335.09180	0.8
336.61838	0.6
338.08017	2.8
341.10324	2.7
353.10309	3.7
364.09650	0.6
365.06906	0.8
380.09329	1.9
383.11295	1.3
395.11264	3.5
413.12424	2.1
489.10419	64.7
575.17975	4.1
745.24988	0.7
781.13434	0.7
781.26965	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01404	0.4
59.36515	0.3
59.44615	0.3
92.66127	0.4
117.03474	2.0
119.05026	4.1
145.02950	11.9
163.04076	4.3
165.01892	3.6
168.70111	0.4
184.05315	0.4
255.03003	4.5
269.04547	0.7
271.06021	1.8
283.02490	66.5
284.03159	2.8
298.04846	100.0
299.05606	8.6
353.06885	0.5
617.15259	14.9
635.16168	15.6
739.19348	0.7
781.19928	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	781.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85333	0.1
58.80216	0.1
59.01376	0.6
69.22458	0.1
69.27159	0.1
70.06950	0.1
71.01410	0.2
72.99290	0.2
75.03074	0.1
82.73678	0.1
93.03460	0.2
99.65767	0.1
113.02453	0.2
117.03432	2.0
119.05021	4.4
139.04007	0.2
145.02954	13.7
163.04007	2.8
165.01921	2.9
169.05669	0.1
172.90698	0.1
178.99854	0.2
193.01443	0.3
227.03345	0.2
243.06567	0.2
255.02982	5.2
256.03741	0.2
258.58145	0.2
269.04565	1.4
270.05408	0.3
271.06204	1.4
283.02493	67.2
284.03278	3.1
289.55759	0.2
297.04120	0.6
298.04846	100.0
299.05637	8.6
311.05615	0.2
339.04990	0.2
340.05841	0.2
341.06601	0.5
353.06635	0.2
418.47131	0.1
497.52673	0.2
575.14093	0.2
578.76410	0.2
617.15216	15.9
635.16229	12.8
661.13708	0.6
669.43677	0.1
781.19934	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	781.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91600	0.5
57.92864	0.5
62.99879	0.5
78.88322	0.7
78.95900	22.4
83.01273	0.7
96.96003	55.2
96.96957	100.0
110.53214	0.7
113.02412	0.7
199.46400	0.7
439.08521	54.5
545.48065	1.0
605.03595	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64345	0.5
59.01379	9.2
65.58231	0.7
71.01382	7.1
72.99295	3.1
75.00860	6.6
85.02949	8.9
87.00850	3.4
89.02421	1.5
92.23060	0.8
95.01359	2.5
99.00865	6.9
103.00329	1.1
111.26746	0.6
113.02460	13.3
115.00248	1.0
117.01898	2.6
126.52746	0.9
134.03749	14.7
135.04518	4.1
145.54129	0.6
148.11668	0.6
149.06082	9.5
150.85687	0.6
160.01625	4.2
161.02464	7.2
161.85190	0.6
175.02600	1.6
175.03992	24.9
178.02682	3.2
179.03482	4.4
181.35202	0.7
193.05069	46.8
205.07085	0.7
231.05032	1.5
249.06212	14.5
252.06364	1.6
253.07224	1.0
267.06943	17.1
277.21118	0.6
284.03174	0.9
295.08365	0.9
323.07758	1.0
331.57870	0.7
337.09201	1.1
381.11981	2.7
425.10956	2.2
443.11960	4.6
552.47522	0.8
557.54022	0.7
781.21960	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	781.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88816	0.8
57.03436	3.2
59.01098	1.4
59.01382	33.9
68.99802	0.9
71.01379	11.7
73.02921	1.6
75.00879	6.0
76.46165	0.8
81.74873	0.8
85.02934	14.5
87.00880	3.8
89.02438	4.5
91.03993	1.1
95.01351	5.2
96.80164	1.0
96.96010	1.0
99.00868	6.0
99.04526	1.4
101.02409	1.1
103.00369	1.5
111.00860	0.8
113.02438	30.5
115.00317	2.1
117.01930	1.1
129.01897	1.9
145.97115	0.9
147.04495	4.5
161.09746	1.0
161.13342	3.5
163.11220	3.3
165.05547	1.9
171.10262	1.1
175.02492	1.0
187.11250	3.3
189.09167	1.5
205.07201	1.2
205.12286	3.4
207.04933	1.0
207.06702	1.8
207.10298	1.8
249.06175	9.9
263.07715	2.0
267.07248	14.8
281.08823	4.2
284.03180	1.3
288.90750	1.2
309.08276	0.9
324.59998	1.1
349.18610	2.0
520.65381	0.9
529.22754	3.4
781.27734	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	53.9
59.01380	67.6
64.83308	0.7
66.17579	0.6
69.03479	0.7
69.80132	0.7
71.01379	20.6
72.66805	0.8
73.02936	9.2
77.02232	0.8
83.01391	1.5
85.02943	8.5
87.00823	0.9
89.02428	7.2
93.97343	0.9
95.01399	1.2
97.02962	1.2
99.00866	5.4
99.04512	56.4
101.02437	41.9
113.02439	18.5
119.03513	4.6
121.03037	0.8
125.02433	25.8
129.01917	0.8
133.10811	0.8
143.03465	4.8
153.09113	1.2
159.02991	4.5
161.04558	23.3
235.11885	18.0
251.11380	36.1
255.02882	1.0
277.12946	11.1
283.02524	11.9
284.03406	5.9
285.04095	6.3
297.13617	0.9
315.14725	1.1
317.16043	1.4
349.06247	0.9
357.15540	12.1
379.16110	100.0
399.13025	37.4
436.40021	0.8
489.10638	3.3
531.11365	1.8
693.16949	8.9
781.30859	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	781.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38464	0.4
59.01374	2.4
60.99313	10.0
65.92156	0.6
67.51629	0.5
71.01411	0.6
71.63490	0.4
72.20282	0.5
74.16665	0.5
76.99017	0.4
80.26224	0.5
84.13424	0.4
87.00867	10.4
88.00403	2.9
88.01199	0.7
88.98796	100.0
89.02434	33.5
100.21475	0.5
101.02424	0.7
105.29659	0.5
161.04579	0.5
179.88899	0.5
226.16750	0.6
244.49905	0.5
421.99380	0.5
495.38574	0.6
618.34363	0.7
637.41571	0.8
781.45026	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	781.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51574	1.0
57.85917	1.1
65.96645	1.0
68.81108	1.2
71.01387	1.4
78.98555	1.5
80.96510	32.5
81.83427	1.2
84.10474	1.3
94.98088	9.5
101.02409	2.5
107.86211	1.3
109.20737	1.2
116.92837	2.7
125.02432	4.8
134.97540	5.2
135.27769	1.2
136.99129	1.7
148.99130	8.1
152.98607	5.8
164.98636	21.1
165.67870	1.1
169.17923	1.4
206.99687	5.7
225.00729	42.2
225.11388	2.1
308.87607	1.4
525.16461	4.8
534.74194	1.7
537.27063	1.7
639.20313	1.5
781.11792	5.0
781.40509	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	781.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.2
57.03442	1.4
57.80972	0.5
59.01101	0.7
59.01382	12.5
65.39670	0.6
71.01381	28.5
73.02947	8.6
75.00890	0.8
83.01384	4.9
85.02952	19.1
87.04523	0.9
89.02438	5.4
95.01389	1.5
99.00867	3.6
101.02440	21.5
112.64356	0.8
113.02441	12.5
119.03496	1.0
159.02974	1.2
161.04591	1.0
208.67166	0.6
231.76793	0.6
362.06586	0.7
395.24045	0.6
399.29111	3.0
451.32175	1.4
453.09314	0.6
469.33084	0.9
471.30988	0.7
487.34390	11.6
619.38641	3.7
781.43921	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.2
57.03442	1.4
57.80972	0.5
59.01101	0.7
59.01382	12.5
65.39670	0.6
71.01381	28.5
73.02947	8.6
75.00890	0.8
83.01384	4.9
85.02952	19.1
87.04523	0.9
89.02438	5.4
95.01389	1.5
99.00867	3.6
101.02440	21.5
112.64356	0.8
113.02441	12.5
119.03496	1.0
159.02974	1.2
161.04591	1.0
208.67166	0.6
231.76793	0.6
362.06586	0.7
395.24045	0.6
399.29111	3.0
451.32175	1.4
453.09314	0.6
469.33084	0.9
471.30988	0.7
487.34390	11.6
619.38641	3.7
781.43921	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4387
Annotation	cimifoetiside B
Peak:m/z	Relative Intensity
58.07934	0.3
59.01375	0.5
70.97160	0.3
77.55259	0.3
84.95112	0.3
85.83186	0.2
87.00871	100.0
111.93833	0.3
185.34770	0.3
199.51125	0.3
243.90982	0.3
288.76874	0.3
328.28821	0.3
339.10202	0.3
357.32437	0.3
369.24332	0.3
414.82840	0.3
441.71420	0.3
563.14856	0.3
693.42438	0.4
781.43951	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	781.439
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93074	0.9
59.01382	100.0
87.04480	1.0
90.79842	1.0
92.22481	1.7
107.10859	1.1
121.46465	1.1
123.45425	1.2
157.55495	1.4
286.70135	1.2
318.07104	1.3
388.27591	1.2
627.32031	1.2
721.41693	17.4
747.50134	1.3
781.44238	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	781.4745
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47974	1.1
59.01380	49.5
59.01680	1.6
63.76823	1.1
65.48148	1.0
66.78901	1.2
71.01062	1.5
71.01380	25.9
84.05890	1.1
85.02950	6.0
89.02447	26.5
101.02447	16.8
113.02442	13.6
119.03495	10.2
161.04594	1.6
168.90565	1.4
179.05586	1.4
181.06880	1.1
202.52487	1.2
298.04810	2.4
323.01260	1.3
346.85315	1.4
538.02148	1.4
699.50244	1.5
781.47510	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.5
55.29970	1.0
59.01380	31.7
60.99290	1.8
62.35703	0.9
71.01376	24.7
73.02941	6.7
83.01394	1.5
85.02942	7.8
87.00871	4.8
88.98795	15.3
89.02440	19.7
99.00882	2.0
101.02450	22.4
113.02453	14.3
119.03466	4.2
240.31676	1.2
256.42151	1.2
297.05981	1.1
498.81412	1.2
619.61493	1.1
677.42029	4.5
695.42926	1.4
737.43689	5.5
737.81909	1.3
781.47565	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
57.03439	0.6
59.01381	42.9
61.98835	0.8
66.14417	0.4
71.01377	25.0
72.99297	0.9
73.02929	1.1
83.01373	0.6
85.02939	5.2
87.00852	0.7
89.02441	26.0
92.22447	0.6
94.61211	0.4
95.01372	1.9
99.00874	0.6
101.02444	14.9
106.25259	0.5
113.02440	12.5
119.03491	8.7
121.35828	0.5
161.04517	0.5
179.05685	0.8
191.34041	0.4
193.83154	0.4
210.29907	0.5
221.44911	0.4
271.24826	0.4
298.04980	0.6
310.05472	0.5
326.54883	0.5
423.90955	0.5
634.53436	0.5
781.47540	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.5116
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.5
70.32948	0.9
71.01367	6.8
71.27860	1.0
72.99292	2.0
75.00861	11.0
81.43301	1.2
85.02963	11.1
86.07148	1.0
87.00870	2.5
89.02428	1.8
95.01374	1.6
99.00855	5.3
103.00391	1.7
113.02439	12.8
117.01931	1.7
171.10271	1.3
208.90013	1.1
255.23302	66.2
275.20215	8.2
293.21191	4.8
295.00055	1.7
303.03149	1.4
372.23499	1.1
394.28702	1.2
467.16641	1.1
781.51117	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.5125
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68960	1.8
58.90961	1.6
59.01378	4.2
60.19820	1.6
63.33010	1.5
64.98733	1.9
71.01374	4.0
75.00869	7.2
75.28166	1.9
85.02932	12.2
87.00846	2.5
99.00854	2.3
101.61604	2.0
105.31106	2.1
113.02408	12.5
117.01913	2.9
123.66328	2.1
187.52115	2.3
230.21135	2.4
252.07846	2.0
253.05595	2.1
255.23326	66.3
275.20120	2.8
293.21097	2.9
390.56558	1.9
764.21515	2.4
781.51068	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	45.8
61.98831	100.0
63.21763	1.1
67.34203	1.1
70.53585	1.2
71.01384	6.3
73.02928	2.5
73.24948	1.1
73.42934	1.2
84.39278	1.1
85.02950	2.2
88.98800	2.9
89.02425	2.2
92.22471	4.1
92.23066	4.0
100.83788	1.7
101.02431	5.6
103.91685	1.2
113.02421	1.5
124.46283	1.2
218.85748	1.6
460.08478	1.5
550.72595	1.5
601.74219	1.4
633.40173	5.0
675.41211	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	783.309
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	20.8
59.01098	2.3
59.01382	48.5
61.57717	1.3
67.00885	1.1
71.01376	22.1
73.02950	2.3
75.30465	1.2
84.72875	1.1
84.82371	1.1
85.02950	7.7
89.02438	20.7
90.46970	1.1
91.79536	1.0
99.04514	34.1
101.02438	22.8
103.92249	1.4
113.02448	21.1
119.03491	6.4
121.04555	1.1
125.02443	19.6
142.96988	1.2
143.03467	2.1
147.04517	26.3
152.08405	5.4
161.04524	1.9
165.05571	34.5
169.48491	1.2
183.26973	1.2
207.06621	9.2
225.14983	2.2
291.04102	1.7
369.19128	6.7
387.15649	1.9
387.20255	40.3
389.18103	5.5
429.21323	13.7
487.25192	5.7
529.22388	1.9
531.24487	100.0
544.00513	1.7
783.28284	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	783.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.0
57.03456	4.1
58.64280	0.8
59.01383	39.7
60.03652	0.8
62.16401	0.9
69.02666	0.8
71.01378	51.0
73.02943	25.0
78.76526	0.7
83.01407	6.7
85.02945	20.3
86.94611	0.9
87.00864	8.6
89.02440	15.5
91.14807	1.0
92.22757	1.1
95.01388	3.5
97.02946	1.8
99.00866	8.4
99.04523	7.7
101.02438	58.9
113.02442	28.6
119.03489	3.6
125.02470	3.4
129.01915	1.4
131.03470	1.2
139.07643	1.2
142.59692	1.0
143.03477	3.5
145.05017	6.3
153.09267	1.2
159.02948	8.8
161.04562	42.3
165.09184	17.3
179.10741	0.9
181.08701	5.8
235.08243	74.4
249.11040	1.8
249.13464	35.1
333.94086	1.0
357.15585	9.9
381.17688	100.0
401.18320	8.8
487.84122	1.0
548.47864	1.0
569.84875	1.0
659.30719	1.1
767.70807	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.9
60.99310	10.1
63.57570	0.4
64.44298	0.4
87.00873	10.6
88.00394	2.8
88.01211	1.7
88.04041	0.5
88.98801	100.0
89.02438	27.6
94.96245	0.4
104.69233	0.4
211.57594	0.5
227.82759	0.5
295.48285	0.5
473.29736	0.5
693.42542	0.8
783.44458	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	783.4531
Annotation	Astragaloside IV
Peak:m/z	Relative Intensity
55.01868	2.0
57.03441	1.1
59.01383	12.1
71.01379	28.4
73.02946	9.6
73.60641	0.4
83.01391	4.8
83.01826	0.7
85.02947	17.1
87.00875	0.6
89.02451	5.2
94.73891	0.4
95.01369	2.3
99.00881	3.7
101.02441	21.5
113.02442	11.5
119.03483	2.2
147.05838	0.5
159.02945	0.6
161.04559	2.6
166.66859	0.5
232.59570	0.6
268.99124	0.5
486.39432	0.5
489.35892	1.9
550.94171	0.6
566.93866	0.6
706.33411	0.6
783.45490	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.5
57.03437	0.8
59.01383	11.3
65.85368	0.7
71.01377	24.8
73.02943	8.6
83.01389	6.3
85.02947	14.6
89.02431	5.4
93.35439	0.8
95.01382	1.2
99.00856	3.5
101.02438	18.1
113.02450	12.4
119.03462	1.0
128.29228	0.7
131.03488	0.8
161.04523	1.6
449.54468	0.7
508.48206	0.7
719.40631	0.8
781.41028	0.8
783.45465	100.0
804.46722	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	93.5
61.98830	50.7
67.97098	8.4
71.01382	8.3
78.65531	7.7
78.98908	8.6
91.38361	8.6
105.27294	8.2
113.02392	10.4
117.05158	9.2
176.03085	9.9
192.02490	8.8
196.66682	8.4
248.58383	12.2
299.05612	15.7
317.86105	9.4
617.40314	12.1
635.41534	14.5
677.43109	100.0
730.27454	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	784.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92775	1.3
58.50622	1.5
59.01106	2.5
59.01386	77.5
61.98832	86.5
61.99151	3.6
71.01370	9.5
73.02935	2.8
73.23306	1.8
101.02448	7.3
113.02420	3.8
149.49313	1.9
255.24168	1.9
293.30984	2.1
299.05579	2.4
362.71094	1.8
366.52545	1.8
475.24414	1.9
617.40631	2.6
635.41565	2.7
663.90619	1.8
677.42719	100.0
739.90912	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	784.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29103	0.5
59.01387	34.7
61.98834	100.0
65.09972	0.6
71.01381	3.2
73.02942	0.8
85.02943	1.0
101.02447	3.2
103.46057	0.7
107.27906	0.6
113.02435	1.5
136.62938	0.7
139.25732	0.5
142.39119	0.6
151.30057	0.7
161.04543	0.9
167.01639	0.7
300.88391	0.7
312.69247	0.7
349.21338	0.7
399.64539	0.7
447.70193	0.6
635.41779	1.5
677.42847	28.8
784.41199	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	15.1
60.99419	3.1
69.54790	2.8
71.01359	6.9
71.59851	2.7
72.77292	2.5
73.02932	3.1
85.02955	4.9
89.02431	6.4
107.24343	2.6
125.28844	2.9
137.02452	4.6
150.03191	11.4
152.01160	2.8
155.14818	2.9
159.04521	4.0
160.05292	16.3
161.06053	6.5
163.03944	4.1
164.04796	4.3
173.06201	2.8
175.07620	23.1
177.05621	15.4
178.06364	21.4
192.07924	4.8
193.05162	3.4
255.06581	3.5
256.15039	3.0
265.08536	3.8
266.05933	3.4
267.06567	18.8
269.08246	24.3
270.08997	11.5
281.08185	48.9
282.08926	21.4
284.10538	5.7
296.10489	10.3
299.01953	6.8
314.04306	14.0
314.07803	6.2
316.09525	16.2
328.09274	3.8
429.13394	4.4
432.15717	11.8
444.15683	30.6
447.18100	29.2
459.18149	30.3
462.16867	12.1
474.17145	21.9
477.12338	3.6
477.19229	100.0
489.19189	60.8
507.20270	79.6
519.20306	89.8
537.21313	97.0
543.57007	3.5
711.26379	14.2
725.36652	4.1
741.27405	27.5
785.19458	12.5
785.45770	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	785.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.5
59.01380	100.0
63.75184	0.3
67.44812	0.3
67.53848	0.4
70.91833	0.4
71.01379	11.6
73.02940	6.1
75.88864	0.4
82.38954	0.4
83.01390	1.7
85.02948	4.7
89.02446	6.5
99.00881	3.3
101.02435	19.2
113.02440	9.2
116.92896	0.5
119.03501	2.0
128.67064	0.4
129.52068	0.4
136.87419	0.4
137.26064	0.4
159.03003	2.0
161.04579	7.6
168.47653	0.4
190.41335	0.5
277.16534	16.0
277.94394	0.5
283.02536	0.5
284.03342	1.0
299.05624	4.1
319.17627	33.7
363.16357	1.4
363.20364	1.7
377.21887	0.6
421.20810	11.9
785.20862	1.6
785.34729	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07854	0.7
59.01384	21.9
59.01652	1.6
61.98833	100.0
63.81123	0.9
65.73289	0.8
66.95646	0.8
71.01372	3.7
73.02952	0.8
82.93137	0.8
83.01296	0.8
85.02961	1.3
101.02418	4.0
111.88081	0.8
113.02431	2.0
169.03394	0.9
220.10837	1.0
226.10883	0.9
303.09796	1.0
398.01318	1.0
496.90680	0.9
537.16101	0.9
619.42157	6.0
620.34180	1.2
637.43481	4.5
679.44269	28.1
723.44940	1.0
786.43268	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	786.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
61.18682	1.8
61.98832	97.3
67.85754	2.1
90.94553	1.9
100.69793	2.0
110.22758	2.0
116.92849	10.7
156.10202	2.5
165.12885	4.4
183.13918	44.7
218.62944	2.3
262.29465	2.2
272.38885	2.3
277.21732	55.7
331.78458	2.5
356.49002	2.4
723.43457	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02161	0.8
59.01383	1.2
61.19654	1.0
61.98831	89.3
85.22947	0.9
89.02440	1.3
90.39877	0.9
92.22537	0.9
93.72095	1.1
101.02427	2.3
113.02390	1.4
116.92857	4.7
161.04558	1.3
165.12836	5.7
183.13896	39.6
212.10570	1.0
240.65080	1.2
277.21750	51.8
313.18430	1.0
347.58392	1.0
494.91644	1.3
565.48761	1.1
723.43329	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	2.3
85.02937	3.2
117.03465	6.2
129.01933	6.2
134.03729	52.6
135.04530	13.6
136.04843	1.9
137.02480	2.0
149.06085	13.4
151.04019	1.5
151.07643	2.3
159.03004	2.4
164.04785	6.5
165.05566	3.4
179.07114	3.4
193.05069	100.0
208.03743	13.7
209.06741	13.0
223.06157	25.4
243.17210	3.0
299.36749	1.8
385.11456	70.5
385.16037	3.5
539.21210	6.9
708.26190	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	787.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	39.5
63.28205	1.4
65.76933	1.2
71.01377	14.3
73.02939	34.9
83.01392	5.9
83.24936	1.5
83.46567	1.5
85.02936	2.0
89.02419	2.4
97.11852	1.3
101.02438	23.9
113.02413	6.8
113.20618	1.6
119.03485	2.3
121.02916	2.9
122.03712	8.8
125.02390	1.8
134.04613	1.8
135.04497	5.6
136.01633	2.2
146.70859	1.5
149.02425	16.3
149.04506	1.4
150.03214	68.0
151.04001	21.2
161.04572	7.4
162.94272	1.5
164.04805	9.0
165.05571	100.0
166.02669	8.2
167.03516	7.4
180.04292	6.9
181.05045	14.4
189.05492	1.8
190.06450	10.6
195.06664	30.3
225.19957	1.6
323.09378	4.5
324.10187	1.9
338.11603	2.6
339.08752	22.5
354.10986	5.2
356.12299	2.2
357.09720	2.7
369.13293	20.6
372.12183	3.2
387.14493	19.1
472.40073	1.6
517.18683	5.7
535.19733	25.4
565.20782	2.9
583.21942	60.0
637.78937	1.6
739.26172	3.2
787.28333	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	787.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08824	0.5
59.01376	2.2
61.82668	0.5
65.40161	0.4
73.02956	0.5
74.35667	0.6
77.56262	0.6
79.13044	0.6
93.03462	0.9
101.02416	0.8
113.02407	0.6
119.39063	0.6
121.02958	0.8
122.03723	2.8
133.02917	0.7
136.01682	4.8
137.02455	1.3
149.02428	3.7
150.03221	45.7
151.04001	14.8
162.03206	2.6
164.04755	2.4
165.05560	100.0
166.02715	4.9
177.05588	2.3
180.04268	7.1
181.05070	12.5
190.06415	2.0
195.04829	1.2
195.06630	36.1
204.99847	0.6
221.08255	0.7
301.20468	0.6
357.09680	3.4
357.13541	3.3
372.12173	4.6
387.14520	13.5
389.92169	0.6
583.21893	48.6
634.50079	0.6
694.17676	0.7
727.25391	0.9
787.28552	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	787.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	23.4
71.01373	8.2
73.02934	7.6
83.05006	1.1
83.81384	0.8
85.02942	4.1
89.02435	5.4
93.03430	1.0
101.02437	9.8
113.02458	8.1
119.03441	1.2
121.02988	1.5
122.03736	6.0
123.04521	1.2
132.18469	0.9
133.02946	1.3
135.04504	6.4
136.01663	12.5
149.02428	12.7
149.06149	1.6
150.03220	61.4
151.00389	1.1
151.04002	46.6
152.01143	4.1
160.05261	1.6
161.04568	2.3
162.03207	0.9
163.04033	4.7
164.04802	10.4
165.05556	100.0
166.02710	12.9
167.03464	2.0
172.05257	1.4
175.04007	1.8
177.05554	1.6
180.04274	10.2
181.05081	30.8
189.05548	1.9
190.06396	11.4
193.05069	1.0
195.06664	29.0
223.06393	1.0
315.08521	1.6
324.10086	1.8
329.10144	2.0
338.08026	1.1
339.08810	5.2
342.11081	1.8
354.11038	4.8
356.12497	3.8
357.09702	10.0
357.13663	4.4
369.13367	7.1
372.12268	10.9
387.14578	44.8
490.16565	1.9
505.18677	1.9
535.19739	28.0
565.20807	4.0
583.21906	88.0
619.55206	1.2
655.70660	1.0
683.40411	11.0
727.25537	6.6
743.42505	5.3
787.29340	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	787.3612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	40.4
59.01379	30.6
59.01681	0.8
71.01379	6.0
73.02928	1.2
83.01382	1.1
85.02950	1.2
89.02418	1.1
94.88889	0.7
99.04514	44.0
101.02433	18.2
113.02441	3.6
125.02434	12.5
131.79214	0.7
143.03497	0.8
159.02988	1.3
161.04541	8.0
165.05545	4.6
184.68944	0.8
240.42851	0.8
249.13438	25.2
249.59738	0.8
291.14417	5.2
303.10709	0.7
322.78860	0.9
331.17590	3.0
344.87177	0.8
393.17719	100.0
452.49097	0.9
505.48145	0.8
563.30389	1.0
607.24261	1.1
787.30444	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	787.3614
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06172	0.6
57.03451	61.1
59.01148	1.7
59.01381	47.7
60.34846	0.7
67.01058	0.6
67.15854	0.7
71.01392	2.9
73.02968	0.9
99.04510	65.2
101.02446	15.3
113.02444	1.9
125.02443	26.4
143.03517	3.0
161.04555	4.4
249.13470	16.0
291.14536	15.8
331.17447	0.9
365.24524	0.9
393.17715	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3924
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79518	0.4
54.88264	0.5
71.67564	0.5
72.92730	0.5
78.98602	0.6
79.95743	1.0
80.96507	10.3
84.59888	0.5
87.67300	0.5
90.34724	0.5
91.39945	0.6
92.57838	0.5
94.98067	3.0
101.02419	0.6
122.97554	3.8
125.02380	0.8
133.50125	0.6
134.97472	1.1
148.99123	2.4
152.98628	2.9
164.98592	4.7
190.07875	0.6
204.97881	9.1
206.99690	1.3
225.00766	19.1
255.23238	2.2
281.03506	1.0
299.04431	100.0
339.03464	2.4
377.36111	0.6
465.17761	3.1
537.27686	2.9
555.28088	1.0
787.39233	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	787.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
61.96027	0.4
71.01385	5.0
73.02941	0.6
75.35105	0.4
76.96513	0.4
78.13576	0.5
78.98603	4.2
79.95733	4.8
80.96516	47.4
81.03463	0.8
85.02921	2.1
87.00876	2.2
94.98085	13.1
97.02931	2.0
101.02427	4.0
106.98087	1.1
113.02409	0.6
122.97519	3.4
125.02425	4.0
127.03976	0.9
134.97578	5.5
136.99126	3.1
148.99135	7.2
152.98645	8.5
164.98633	22.3
165.12842	0.5
183.13910	4.4
188.98627	0.5
206.99684	5.2
225.00760	40.1
277.21738	1.1
329.42230	0.5
373.00821	0.5
409.42422	0.5
468.42435	0.5
509.17126	3.4
559.25781	3.4
787.39532	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01099	4.0
59.01385	88.2
59.78845	1.9
71.01383	21.7
73.02943	6.3
79.54251	2.3
82.52203	2.6
85.02939	6.1
99.86822	2.4
101.02409	21.0
113.02454	9.8
116.92839	6.3
141.01704	100.0
152.17465	2.3
161.04517	2.7
205.39793	2.8
248.90016	2.5
331.10388	2.9
333.18832	2.8
374.34985	2.7
670.70538	3.0
701.42279	29.9
743.43549	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	787.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80680	0.6
59.01380	7.3
69.18256	0.6
71.01367	6.8
72.99282	1.3
73.46179	0.5
75.00861	9.7
82.36210	0.6
85.02934	9.2
87.00861	4.2
89.02434	2.5
95.01379	3.0
99.00879	5.6
102.39975	0.6
103.00352	0.9
104.69922	0.8
113.02447	10.0
115.00334	0.9
117.01897	1.5
129.01915	0.6
161.63324	0.6
167.33601	0.6
231.05215	0.7
253.02591	0.7
277.21729	58.8
787.50079	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.1
59.71529	0.6
61.98843	0.7
68.20973	0.7
71.01378	1.8
85.02934	1.3
87.81304	0.7
92.22586	1.0
95.77429	0.7
108.02171	17.1
109.02932	9.9
113.02422	0.7
118.21315	0.7
123.04491	0.9
124.59359	0.7
133.02995	1.7
133.86182	0.8
134.03752	5.9
135.04442	1.5
137.02451	1.0
149.06068	3.2
150.03194	5.8
151.04007	5.5
152.01152	100.0
153.01900	3.4
163.04015	4.4
165.05556	10.7
175.04012	0.9
177.01878	1.1
178.02699	3.3
178.09543	0.7
179.03488	3.8
180.04250	1.8
186.42490	0.9
193.05052	11.8
195.06630	1.4
228.96155	0.9
285.06223	1.5
357.83704	0.9
399.09409	14.4
417.10339	1.7
670.91827	0.9
789.22485	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	789.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	0.5
62.59763	0.4
69.63094	0.5
72.99302	0.8
85.02949	0.9
88.92370	0.5
108.02174	18.0
109.02939	10.0
123.04530	0.7
133.02972	5.1
134.03758	6.1
135.04509	2.7
137.02400	0.7
149.02467	0.8
149.06053	1.8
150.03247	8.4
151.04015	3.6
152.01152	100.0
153.01935	5.9
161.02419	1.1
163.04036	3.9
165.05548	15.8
173.68321	0.4
175.03987	2.0
177.01933	0.9
178.02731	3.4
179.03502	5.4
180.04306	0.5
193.05046	8.5
195.06651	2.3
233.04459	0.6
267.05099	0.7
285.06204	3.5
399.09286	12.6
417.10449	3.9
529.78741	0.5
567.64929	0.6
592.15167	0.7
789.22540	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	789.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.6
56.06775	0.5
57.03454	0.8
59.01385	9.4
61.41221	0.6
62.65081	0.5
65.86952	0.5
68.99809	0.6
71.01379	10.2
73.02936	1.2
75.00866	2.7
80.82398	0.6
82.28883	0.7
83.01378	0.8
85.02949	13.5
87.00883	1.3
89.02435	4.5
92.22466	0.6
95.01363	1.3
99.00871	13.3
101.02435	0.9
113.02440	17.1
118.02995	0.7
131.03441	1.2
157.01447	0.8
192.96217	0.7
227.98160	0.6
283.20502	0.7
389.28482	3.5
415.24728	0.8
433.27505	1.3
437.30621	6.5
477.18738	0.7
481.29688	1.5
534.54761	0.7
551.33459	0.9
595.33441	4.5
639.31891	2.4
745.43384	0.9
789.37115	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.375
Annotation	Unknow
Peak:m/z	Relative Intensity
60.77757	0.4
71.06452	0.5
78.95902	1.1
79.95733	1.0
81.83495	0.6
94.98071	6.1
96.00892	0.7
96.96007	100.0
96.96986	3.1
96.97617	1.8
100.90139	0.6
112.22182	0.5
160.43419	0.5
160.86839	0.5
246.58871	0.6
603.09998	0.6
789.40106	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
60.39977	0.5
68.68133	0.5
71.01378	4.8
72.49290	0.5
73.02939	2.0
78.98580	4.3
79.95720	4.0
80.96512	40.1
81.03468	0.5
85.02916	2.0
87.00864	0.9
94.98069	12.9
97.02941	2.8
99.41013	0.5
99.92477	0.6
101.02428	1.9
106.98092	3.0
113.02408	1.0
116.92830	2.2
122.97562	3.7
125.02420	3.4
127.03977	0.8
131.61832	0.6
134.97536	4.1
136.99124	2.5
146.97530	0.5
148.99104	7.4
152.98616	7.4
164.98624	19.3
183.13885	5.8
188.98677	0.8
206.99686	4.0
225.00748	43.1
240.25989	0.5
279.23349	2.3
509.17075	1.9
540.74347	0.6
542.86292	0.6
561.27112	3.1
789.41089	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92473	3.1
57.70438	2.8
57.87063	3.2
59.01383	57.7
63.73928	3.2
71.01393	35.2
73.02946	15.8
82.25858	3.3
85.02934	16.6
88.01894	3.5
89.02444	25.4
96.96045	4.0
101.02432	23.5
109.39095	4.0
113.01771	3.6
113.02419	29.9
144.76843	3.3
150.03226	6.5
165.05557	8.3
165.15274	3.2
166.05942	3.6
179.98325	3.2
193.05115	4.4
281.25586	4.1
390.91068	3.4
531.57037	3.8
585.22534	6.6
612.50616	4.0
681.57849	4.3
685.41528	100.0
731.58533	4.0
731.71741	4.2
745.43958	60.3
789.42737	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	789.5169
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.8
59.01380	8.0
59.39187	0.4
65.46880	0.4
71.01382	7.6
72.99295	2.4
75.00873	7.7
77.83872	0.4
83.01405	0.6
83.47288	0.4
85.02943	10.8
85.59901	0.5
87.00865	3.7
89.02423	2.1
95.01385	2.5
99.00869	7.2
103.00352	1.0
107.82814	0.4
113.02451	10.0
115.00392	1.7
117.01942	1.1
129.02003	0.5
162.54488	0.5
166.07861	0.5
227.65575	0.5
249.06252	0.9
259.65598	0.5
263.49060	0.5
277.21762	26.4
279.23303	49.8
368.32013	0.6
372.62991	0.6
446.39133	0.5
479.49011	0.5
789.51685	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09764	0.1
56.55286	0.1
56.81695	0.1
57.60677	0.1
58.06781	0.1
60.39890	0.1
69.65932	0.1
73.02926	0.2
97.93129	0.1
99.92577	4.3
114.93406	1.4
116.92857	100.0
117.01930	0.8
125.50257	0.1
154.12100	0.1
183.00130	0.2
184.03175	0.1
207.83366	0.2
216.17725	0.1
383.38116	0.1
426.22528	0.1
451.06052	0.1
614.20752	0.3
778.22565	0.2
791.14630	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	791.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
66.72131	0.2
69.75793	0.2
73.02943	0.3
80.65208	0.2
92.18993	0.2
92.49631	0.2
98.83249	0.2
99.92584	4.6
114.93394	1.5
115.07185	0.2
116.92850	100.0
117.01913	1.2
118.18065	0.2
134.46640	0.2
614.20337	0.4
791.14447	2.9
791.28357	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
61.09786	0.8
64.59370	0.7
68.52374	0.8
69.12157	0.8
77.95927	0.9
92.23107	1.0
94.84121	0.8
99.92574	3.4
104.16349	0.8
109.47942	0.9
114.93421	1.0
116.92852	100.0
119.14610	0.8
152.19925	1.0
207.15297	1.0
208.34576	1.0
267.56946	0.9
676.29034	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.7
59.99137	0.7
79.56538	0.9
88.57116	0.8
96.96021	1.3
104.25110	0.9
129.09232	1.8
131.45114	0.9
165.01915	2.0
229.88156	1.0
255.03088	6.4
269.04425	1.3
271.06079	1.5
283.02512	77.9
284.03229	5.0
297.03833	1.0
298.04861	100.0
299.05588	7.8
597.88074	1.0
617.15253	11.4
635.16010	2.0
637.43475	1.0
731.37738	1.9
747.25214	58.5
791.26599	1.5
791.44397	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87164	0.3
56.33222	0.3
57.03452	27.0
59.01381	25.1
59.01684	0.7
61.08654	0.4
70.79195	0.4
71.01378	5.5
71.03033	0.4
73.02943	1.7
73.72025	0.4
80.06849	0.5
83.01391	0.7
85.02933	2.2
89.02436	2.2
99.00871	0.8
99.04513	30.1
99.05164	1.0
101.02435	15.8
113.02435	4.1
125.02433	13.7
130.08708	0.5
143.03506	2.2
159.02992	0.8
161.04538	14.9
251.11389	28.5
251.66418	0.5
293.12469	5.9
333.15613	0.9
385.11426	0.6
395.15607	100.0
493.82089	0.5
605.80756	0.4
781.34290	0.5
791.36108	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.6
59.01144	0.4
59.01383	7.6
59.51028	0.3
59.53008	0.3
71.01371	7.6
72.99284	0.4
73.02948	0.6
75.00881	4.1
81.03443	2.6
85.02943	11.6
87.00866	0.7
89.02444	6.4
95.01382	2.1
99.00879	14.1
112.01604	0.7
113.02441	14.4
115.00333	0.8
155.15486	0.4
157.01419	1.8
314.99026	0.4
355.26404	0.5
391.30087	1.9
417.28088	0.7
435.29095	3.0
439.32236	6.9
463.28531	0.4
465.30161	0.6
483.31293	10.9
521.32330	0.7
553.35632	2.7
565.31720	2.2
571.36646	0.5
597.34546	6.3
641.33295	5.0
791.38696	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.9
60.21892	1.0
62.48373	0.9
69.10686	0.9
71.01379	7.7
75.00864	1.6
85.02950	10.3
87.00870	1.0
89.02418	4.3
95.01371	1.4
99.00874	13.4
101.02435	1.1
112.01638	2.1
113.02438	17.1
157.01370	1.7
261.89145	1.1
270.16623	1.0
391.30328	2.1
421.30960	1.5
439.32138	6.3
483.31213	5.6
553.35175	6.0
565.32153	2.1
597.34619	9.9
641.33380	5.4
729.38770	2.0
791.38708	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.9
60.21892	1.0
62.48373	0.9
69.10686	0.9
71.01379	7.7
75.00864	1.6
85.02950	10.3
87.00870	1.0
89.02418	4.3
95.01371	1.4
99.00874	13.4
101.02435	1.1
112.01638	2.1
113.02438	17.1
157.01370	1.7
261.89145	1.1
270.16623	1.0
391.30328	2.1
421.30960	1.5
439.32138	6.3
483.31213	5.6
553.35175	6.0
565.32153	2.1
597.34619	9.9
641.33380	5.4
729.38770	2.0
791.38708	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.5
59.47470	0.4
68.85823	0.4
71.01378	3.5
75.00877	1.4
77.90932	0.3
79.95746	2.8
85.02943	4.5
89.02444	1.9
95.01371	0.5
96.96004	100.0
99.00878	5.9
100.05219	0.3
101.02459	0.5
113.02459	6.9
115.00330	0.6
115.48498	0.3
141.90273	0.4
157.01439	0.6
164.25143	0.4
176.29979	0.3
182.01740	0.4
208.74619	0.5
283.02460	3.1
298.04901	5.2
299.05511	0.8
391.30103	0.8
439.32300	2.3
483.31216	1.8
553.35162	0.6
597.34729	2.9
641.33557	1.7
649.17584	3.1
711.43817	1.1
759.60315	0.5
791.38654	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	791.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.6
76.83939	0.3
78.95896	1.5
79.95740	1.9
88.00793	0.3
92.22469	0.6
94.98083	3.9
96.96004	100.0
96.96886	4.5
110.26932	0.3
146.73732	0.4
160.40150	0.3
234.01939	0.4
270.69809	0.4
291.50519	0.4
436.96439	0.4
791.39142	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
68.12125	0.4
71.01379	3.9
73.02924	0.8
78.98582	3.6
79.95734	3.4
80.96514	39.4
85.02938	2.9
87.00886	2.4
94.98082	10.5
97.02941	2.5
101.02435	2.1
101.71809	0.4
104.05203	0.6
106.98088	2.4
122.97556	3.0
125.02426	4.5
127.03996	1.0
134.97600	5.3
136.99097	1.9
148.99144	6.1
152.98640	8.5
164.98633	20.6
167.00223	0.7
171.63264	0.5
183.13956	4.9
206.99710	4.5
225.00766	44.5
254.92036	0.5
281.24902	2.6
282.21960	0.6
509.16870	3.9
563.28992	2.4
791.42725	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01366	3.9
73.02933	1.1
78.98602	3.5
79.95740	4.2
80.96516	35.0
80.96994	1.1
81.03413	0.5
84.35433	0.4
85.02953	1.2
87.00867	1.2
94.98078	9.9
96.96009	0.5
97.02923	1.1
101.02418	3.2
106.98082	1.1
114.63778	0.6
115.17039	0.5
116.92859	2.1
122.97591	3.5
125.02441	3.6
134.97568	4.0
136.99113	0.9
146.97635	0.6
147.37798	0.5
148.99152	6.8
149.70786	0.5
152.98656	7.6
159.37737	0.5
164.98619	17.8
183.13924	4.4
206.99754	5.1
225.00757	38.4
232.41824	0.5
281.24860	2.7
509.16785	3.7
547.62592	0.6
563.28827	2.8
747.44525	0.6
791.42657	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.8
59.64706	0.5
71.01374	1.3
71.79036	0.6
85.02929	2.8
89.02422	2.8
93.03472	1.2
98.45727	0.7
99.00878	5.3
113.02449	4.8
115.89568	0.6
153.09241	0.9
165.01920	16.5
210.07965	0.7
240.04233	3.1
251.74782	0.7
255.02914	0.6
255.06575	1.2
256.03748	0.7
257.54697	0.7
266.86935	0.7
271.06125	19.6
283.02484	15.1
284.03299	11.2
297.03922	1.4
298.04849	32.7
299.05634	100.0
341.06729	2.6
484.31152	0.9
485.32108	1.5
503.12051	22.6
545.16718	40.7
599.35187	3.5
643.34198	3.0
793.39526	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	793.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10236	0.1
58.09790	0.1
67.39243	0.1
73.02933	0.3
77.09278	0.2
77.92473	0.1
92.22472	0.3
99.92584	3.5
113.68987	0.2
114.93414	0.7
116.92854	100.0
117.01933	2.0
147.19376	0.2
182.87018	0.2
277.21854	0.3
313.42581	0.2
356.10278	0.4
397.13562	0.3
662.39630	0.2
701.27460	0.2
729.27258	0.2
761.30231	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	793.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53316	0.2
73.02941	1.0
79.95293	0.2
85.01720	0.2
89.02438	0.3
92.22540	0.3
99.00868	0.3
99.92587	3.1
106.73518	0.2
114.93423	0.5
116.92853	100.0
117.01915	2.9
123.06486	0.2
232.27432	0.2
277.21582	0.4
323.44138	0.2
397.13702	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	67.3
59.01382	57.3
60.49747	0.6
69.95193	0.6
71.01368	4.7
71.54058	0.6
72.72763	0.6
73.02946	3.3
85.02955	2.6
99.00944	0.8
99.04514	81.7
101.02435	17.9
113.02438	4.1
125.02438	34.9
140.13524	0.7
143.03499	4.6
161.04547	10.0
163.04028	1.0
179.05632	2.8
185.95288	0.6
235.11862	4.0
265.31952	0.7
269.10251	8.9
277.13019	2.9
311.11456	19.2
325.09171	2.6
351.14447	3.1
369.15500	0.9
379.16113	10.6
413.14584	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39842	0.1
59.01392	0.1
59.52818	0.1
71.03632	0.1
73.02950	0.3
90.16920	0.1
99.92579	3.0
107.67583	0.1
114.93412	0.7
116.92854	100.0
117.01938	1.2
194.92903	0.2
243.77585	0.1
318.70734	0.1
466.20111	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	793.381
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	26.7
67.02299	0.2
73.39378	0.2
83.27865	0.2
96.96020	0.4
99.08043	0.3
114.69122	0.2
117.89248	0.2
179.88699	0.2
211.07614	1.1
227.10786	100.0
301.14487	15.0
342.02316	0.2
357.17184	1.6
364.85489	0.2
473.28360	0.2
585.28375	0.3
659.32336	30.0
733.36035	13.6
745.53601	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	793.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.5
59.01383	6.1
68.99825	0.5
71.01373	7.8
72.99301	0.7
73.02941	0.3
75.00864	4.8
83.01366	0.5
85.02946	11.2
87.00873	1.4
89.02448	5.0
89.74097	0.3
95.01363	1.5
95.80589	0.3
99.00255	0.5
99.00875	11.8
101.02424	0.5
112.01652	0.7
113.02439	12.0
131.03467	0.5
139.00360	0.5
157.01451	2.2
224.72940	0.3
299.05588	0.4
340.33374	0.4
377.28625	0.5
393.31100	0.3
409.31219	0.3
423.32196	0.3
437.30701	5.5
441.33960	1.2
467.31662	0.4
483.31332	1.7
485.32791	15.6
527.33856	0.7
529.38367	0.3
555.36334	0.5
567.33441	4.2
583.33160	0.3
599.36053	8.2
617.36761	0.4
643.34979	8.7
731.40155	2.0
793.40265	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.5
59.01383	6.1
68.99825	0.5
71.01373	7.8
72.99301	0.7
73.02941	0.3
75.00864	4.8
83.01366	0.5
85.02946	11.2
87.00873	1.4
89.02448	5.0
89.74097	0.3
95.01363	1.5
95.80589	0.3
99.00255	0.5
99.00875	11.8
101.02424	0.5
112.01652	0.7
113.02439	12.0
131.03467	0.5
139.00360	0.5
157.01451	2.2
224.72940	0.3
299.05588	0.4
340.33374	0.4
377.28625	0.5
393.31100	0.3
409.31219	0.3
423.32196	0.3
437.30701	5.5
441.33960	1.2
467.31662	0.4
483.31332	1.7
485.32791	15.6
527.33856	0.7
529.38367	0.3
555.36334	0.5
567.33441	4.2
583.33160	0.3
599.36053	8.2
617.36761	0.4
643.34979	8.7
731.40155	2.0
793.40265	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14268	1.9
59.01381	100.0
68.66897	1.9
69.71459	2.3
71.01377	13.9
73.02937	12.1
85.02954	9.9
85.49632	1.9
88.47574	2.1
89.02438	4.4
89.82451	2.5
92.23044	2.3
97.02943	2.7
101.02419	15.7
101.84001	2.5
113.02431	25.4
113.11658	2.0
114.19122	2.8
117.95937	2.2
119.03544	2.3
122.03754	10.9
123.04517	5.0
137.06070	4.9
138.00392	2.3
139.07668	3.9
142.15189	2.2
149.04597	2.6
161.04636	4.3
221.06653	2.2
292.08975	2.5
539.33978	15.7
545.34692	13.7
569.34918	50.6
581.35065	23.9
599.36176	10.4
611.36176	4.5
629.38086	2.8
655.91699	2.5
790.77020	2.6
793.44617	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	793.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	97.9
61.98837	3.1
71.01370	33.5
73.02937	32.9
83.01382	10.4
85.02941	10.2
86.48394	1.9
87.00877	2.8
89.02438	20.2
95.01369	3.7
101.02438	39.8
113.02448	27.8
119.03477	8.1
124.01820	1.9
125.56458	1.7
131.03525	2.0
161.04585	2.9
179.05710	2.1
191.71956	1.8
248.55135	1.8
298.29135	1.9
673.39679	6.8
689.39050	35.2
707.41327	3.4
733.42133	8.9
749.41278	100.0
762.11572	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	793.4391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.00732	1.0
65.62196	1.5
67.45164	1.2
71.01384	21.0
73.02940	17.2
83.01382	3.4
85.02950	7.8
89.02443	10.7
92.23152	1.3
95.01374	2.0
101.02442	18.1
113.02460	15.8
113.56421	1.3
119.03491	3.3
125.97900	1.2
138.15846	1.4
143.03477	1.8
161.04562	7.6
186.99080	1.5
194.42465	1.5
221.06491	1.8
249.34464	1.6
365.62411	1.4
386.93530	1.6
394.74152	1.6
408.42883	1.6
472.04077	1.5
673.39648	30.0
691.40692	19.0
733.41827	78.1
793.43420	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	793.4392
Annotation	Spinasaponin A
Peak:m/z	Relative Intensity
57.03441	1.0
59.01380	18.1
65.78695	0.9
67.88557	0.9
71.01376	16.4
73.02928	1.9
75.00864	10.0
85.02941	15.3
87.00877	2.1
89.02431	13.7
95.01376	4.3
99.00874	11.6
101.02438	15.7
104.08670	1.4
113.02449	18.7
119.03451	4.2
139.00417	1.2
157.01334	1.6
159.64523	1.1
169.48900	1.1
187.00616	1.1
198.76331	1.0
259.34839	1.0
331.63260	1.2
344.07120	1.2
407.33356	1.9
455.35172	1.9
477.79095	1.2
658.76099	1.2
733.43146	2.5
793.43896	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.9
55.34438	0.4
59.01384	24.3
63.80831	0.5
71.01381	26.4
72.99318	0.7
73.02939	6.5
75.00884	0.7
80.09834	0.4
83.01385	4.4
85.02953	10.5
87.00868	0.9
89.02442	21.6
95.01374	2.7
97.02950	0.5
99.00871	3.7
101.02444	27.4
113.02452	19.8
119.03495	9.5
125.02411	0.9
131.03473	3.0
143.03525	1.0
159.02927	2.0
161.04573	4.2
179.05620	0.8
221.06720	1.3
279.01321	0.5
299.95950	0.6
301.49338	0.6
307.93173	0.6
410.73157	0.5
631.38171	4.1
793.43945	100.0
820.11273	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.7
59.01389	7.9
60.54464	0.9
71.01361	13.5
72.34028	0.9
72.99293	2.1
73.02940	1.6
75.00870	21.4
83.01384	1.5
83.40717	0.9
85.02949	22.5
87.00871	5.0
89.02422	4.6
95.01334	1.0
99.00858	7.3
101.02418	6.5
111.00837	1.2
113.02428	25.1
115.00388	1.2
117.01931	1.3
147.87816	1.1
173.04553	2.5
197.87090	1.3
206.78062	1.1
222.87195	1.1
338.63297	1.2
453.69809	1.1
455.35349	1.8
754.23602	1.2
793.43909	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	1.3
57.03473	1.4
59.01382	100.0
71.01377	52.5
72.99329	2.2
73.02950	0.9
75.00901	2.3
85.02950	15.1
87.00877	2.1
89.02436	71.1
95.01401	5.6
99.00873	4.1
101.02440	27.0
113.02438	31.3
113.03190	1.2
119.03484	20.2
119.04242	1.2
129.27643	1.0
131.03476	1.3
143.03487	3.7
147.69473	1.1
161.04507	3.3
179.05608	16.4
360.77252	1.1
431.88086	1.1
613.38013	2.4
793.44189	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	793.442
Annotation	Unknow
Peak:m/z	Relative Intensity
70.89539	0.4
71.01374	3.9
73.02950	0.7
78.45047	0.4
78.98580	4.9
79.58063	0.4
79.95711	3.0
80.96512	36.4
85.02940	0.9
87.00870	1.6
94.98083	11.6
97.02980	0.7
99.00867	0.6
101.02425	2.5
106.98065	2.1
116.92842	0.5
122.97561	2.3
125.02431	3.2
127.03983	0.8
132.84126	0.4
134.97600	2.9
136.99106	1.5
138.86456	0.5
144.64267	0.5
148.99144	6.0
152.98637	6.9
164.98619	16.2
183.13902	3.8
206.99670	5.7
225.00751	37.2
268.80295	0.4
283.26526	2.5
283.97705	0.4
380.95782	0.5
509.16959	3.6
520.81049	0.4
565.30597	2.0
793.44226	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4423
Annotation	Unknow
Peak:m/z	Relative Intensity
64.37411	0.3
64.83253	0.3
69.13351	0.4
71.01375	4.2
73.02929	0.6
78.98595	4.3
79.95721	3.2
80.96514	36.2
81.03463	0.7
84.79082	0.4
85.02959	0.6
87.00871	2.4
94.98080	11.0
96.95995	0.6
97.02937	1.4
101.02431	2.6
106.98083	2.3
113.02438	0.6
115.10010	0.4
116.92834	2.2
122.97575	2.8
125.02476	4.2
127.04012	0.5
134.97543	4.4
136.99147	1.6
148.99133	6.3
152.98615	7.3
164.98625	18.2
167.00287	0.4
182.99667	0.4
183.13908	4.1
206.99725	4.3
225.00761	36.8
283.26413	3.3
335.93472	0.4
392.98218	0.4
509.16940	4.7
565.30688	2.4
713.39209	0.4
749.45074	0.7
793.44250	100.0
808.70612	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.5443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.51898	0.8
61.98837	100.0
76.28163	0.9
82.62540	0.9
93.82218	0.9
97.63884	0.9
104.94483	0.9
145.53745	1.0
158.93350	1.0
178.89581	1.0
298.41800	1.0
308.46848	1.1
696.05914	1.0
793.54468	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	795.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00342	0.3
68.97728	0.2
75.86322	0.3
84.37371	0.3
93.03457	0.5
97.41116	0.3
98.10055	0.2
102.88402	0.3
125.16805	0.3
165.01915	17.3
178.02655	0.4
203.06613	0.3
212.04729	0.3
213.05455	0.3
228.39603	0.3
240.04288	3.3
243.06572	1.0
248.37793	0.3
255.02919	2.3
255.06721	1.1
256.03860	1.0
269.04636	0.3
271.06119	19.4
283.02496	15.1
283.05722	0.6
284.03305	10.7
297.04196	2.1
298.04852	36.1
299.05630	100.0
312.06421	0.6
341.06677	2.8
377.06339	0.3
427.78998	0.3
461.11221	0.5
503.12024	79.0
545.13141	1.7
578.82813	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.2
59.01374	6.2
62.04404	1.1
71.01363	1.3
85.02946	1.3
89.02396	1.6
96.95991	1.3
101.02419	1.7
105.11498	1.3
113.02398	2.1
122.15151	1.2
123.34249	1.3
144.43019	1.2
148.83461	1.2
165.01932	19.1
167.51669	1.3
175.04018	2.2
176.90042	1.3
187.99867	1.3
208.24416	1.4
240.04247	1.8
271.06186	17.6
283.02621	18.1
284.03317	8.8
298.01813	2.3
298.04849	35.9
299.05630	100.0
382.56998	1.5
448.68872	1.3
503.12094	33.8
540.55304	1.3
547.14551	19.5
607.18695	1.9
759.31702	2.5
795.44464	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	795.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
64.31067	0.2
73.24126	0.2
91.16467	0.2
99.92580	2.9
114.93429	0.4
116.92854	100.0
116.97215	2.0
117.01942	0.8
151.96843	0.2
178.61095	0.2
199.34456	0.3
380.69330	0.2
407.10294	0.2
523.34955	0.3
545.58942	0.3
735.29810	0.4
818.95831	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98344	0.3
60.11849	0.3
80.30080	0.4
88.98798	0.6
90.45499	0.3
92.92908	0.3
93.01743	0.3
99.92587	3.6
114.93421	0.6
116.92849	100.0
116.97234	1.7
117.01895	0.4
124.57956	0.4
162.79137	0.3
199.95883	0.3
334.90271	0.3
336.06375	0.4
475.44254	0.4
750.26660	0.3
769.38214	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	2.6
57.39614	1.8
59.01389	3.1
62.72932	2.0
99.04502	5.2
99.92577	13.8
100.93359	3.5
112.56958	2.2
115.86371	1.9
115.92078	9.0
116.92857	100.0
122.23231	2.0
125.02374	4.1
134.10231	2.2
173.61954	2.5
183.94754	3.5
211.01491	2.0
211.03545	2.3
226.96373	2.4
277.21729	9.5
777.35596	2.9
795.36462	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	795.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44243	0.2
59.01378	0.6
60.53982	0.2
73.02944	1.4
99.92570	3.3
109.60899	0.2
113.60486	0.3
116.92852	100.0
116.97211	2.3
117.01932	1.9
134.25998	0.2
164.68858	0.2
238.77737	0.2
349.36737	0.3
411.89474	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.3
62.65109	0.2
72.99294	0.2
75.45820	0.2
76.24535	0.2
84.93858	0.3
98.94932	0.2
99.04521	0.9
99.92576	9.7
100.93352	3.9
114.93414	0.4
114.94899	2.3
115.92072	4.3
116.92851	100.0
117.93647	1.1
138.98550	0.4
139.95752	0.3
140.96550	0.5
141.93666	0.3
156.95981	1.7
158.93900	1.5
161.04558	0.3
169.93179	0.3
182.97520	2.5
183.94673	2.2
184.95528	0.5
198.97060	1.4
199.97681	0.2
200.94876	0.2
202.09819	0.2
206.93549	0.2
213.95840	0.3
226.96542	5.6
243.96806	0.4
244.97705	0.4
277.21762	0.9
371.33862	0.3
408.19016	0.3
633.30945	1.8
634.30249	0.2
651.32556	0.4
693.33997	0.3
759.34271	1.0
777.35468	2.5
795.36371	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	795.4185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	5.5
58.92513	0.9
59.01382	100.0
63.38277	1.0
64.82280	1.0
71.01379	32.3
73.02936	11.0
83.01365	6.0
83.92307	1.0
85.02930	12.5
87.00856	4.6
89.02437	27.9
95.01379	5.4
99.04509	1.6
101.02434	23.4
111.00869	1.3
113.02451	26.1
115.03989	2.1
119.03500	8.8
125.02421	2.0
131.03551	1.7
143.03461	1.6
145.02939	2.3
161.04561	2.2
165.01907	5.0
193.05092	1.9
240.04405	1.3
271.06161	5.0
283.02496	4.9
283.05896	1.3
284.03287	2.4
298.04761	9.1
299.05649	22.2
447.12579	1.3
503.12015	4.4
550.62988	1.3
591.14990	7.8
651.39594	9.5
691.40637	79.2
709.41656	15.4
751.42841	52.4
795.44891	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	795.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	4.2
59.01380	100.0
69.00450	1.1
71.01376	21.7
73.02946	16.0
83.01382	1.8
85.02952	8.2
89.02444	14.3
99.00865	2.0
99.04521	1.5
101.02443	21.8
112.38896	1.0
113.02448	20.8
119.03476	6.6
125.02419	1.4
134.03706	2.0
142.98140	1.0
143.03519	1.7
147.57224	1.2
149.04509	2.0
158.38756	1.1
161.04570	6.2
165.05615	4.3
179.05571	1.9
185.13521	1.1
193.05042	5.8
193.64456	1.2
221.06657	2.2
281.90961	1.3
299.05530	6.4
300.05841	1.2
313.05963	1.3
331.58447	1.4
389.12695	2.2
529.35028	1.5
651.39532	6.9
691.40607	47.9
709.41803	11.5
751.42804	64.2
795.42523	31.3
817.96552	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	795.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.1
60.52062	0.4
71.01383	7.4
75.00858	5.8
81.11678	0.5
85.02943	10.3
86.07346	0.5
87.00874	0.5
89.02428	5.8
89.18388	0.7
95.01369	2.6
99.00874	9.8
101.02405	1.1
112.01636	1.0
113.02438	13.2
120.30176	0.5
133.47771	0.5
133.68456	0.5
157.01353	0.6
185.78728	0.5
188.35895	0.5
439.32172	5.6
485.32629	3.5
487.34332	17.1
569.35016	2.3
601.37396	8.2
645.36517	10.8
757.80817	0.6
795.41821	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25461	1.6
59.01382	100.0
64.62385	1.5
67.39713	1.4
69.02957	1.4
71.01381	25.5
72.99335	1.5
73.02934	6.2
75.18980	1.4
79.82803	1.7
85.02966	11.7
89.02437	20.6
95.01331	1.6
99.00861	1.7
101.02451	17.0
102.07737	1.6
113.02430	21.9
119.03511	7.2
125.02460	2.7
142.19359	1.8
161.04596	2.3
169.38480	1.7
239.79761	1.5
240.53018	1.8
286.76956	1.7
329.25668	1.9
621.40112	2.0
651.38904	2.7
691.40643	79.0
709.41522	15.9
751.42914	64.1
777.78308	2.0
795.44592	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	795.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78188	0.8
57.03449	16.9
59.01381	73.9
71.01373	33.7
73.02934	6.6
74.05396	0.8
83.01389	2.3
85.02936	9.6
87.00888	1.1
89.02434	36.5
95.01389	3.8
99.00903	1.9
99.04529	9.8
101.02437	36.5
101.03087	1.4
108.51926	0.8
113.02444	27.7
119.03503	12.1
125.02429	7.3
127.28550	0.9
134.03723	11.3
144.27730	0.9
149.06133	4.6
150.03262	4.7
157.89929	0.9
161.04604	4.2
165.05566	13.6
165.12875	1.7
175.04094	4.6
178.02826	5.3
180.04405	1.4
183.13933	13.3
193.05072	18.7
195.06674	1.3
218.55347	0.9
227.12914	12.3
234.07176	1.2
248.43709	1.0
250.06500	1.4
282.09039	4.2
284.03073	1.2
299.05682	3.6
300.06091	3.8
303.79285	1.1
336.58856	1.0
341.10461	4.9
389.12369	8.3
453.91821	1.0
599.27655	6.2
633.39636	4.9
651.39600	51.3
691.40625	13.8
693.40875	10.5
709.42474	2.2
751.42950	13.9
751.55341	1.4
795.44727	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	795.4391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	20.1
58.39120	0.5
59.01382	49.6
71.01379	24.4
73.02946	3.3
83.01409	2.5
85.02940	5.5
89.02436	37.9
92.23148	0.6
95.01389	2.4
97.02934	0.9
99.00861	1.1
99.04506	8.4
101.01778	0.9
101.02439	27.7
113.02440	18.6
119.03495	14.8
125.02406	6.4
131.03490	0.7
134.03725	6.3
142.72034	0.6
143.03516	0.9
149.06174	2.0
150.03220	4.4
159.02971	0.7
161.04535	1.0
165.05574	9.2
175.04019	2.5
178.02733	2.6
181.74573	0.7
182.68468	0.7
193.05077	13.6
195.06677	1.3
282.08984	1.0
299.05521	1.0
341.10345	1.0
341.85953	0.6
389.12143	4.4
405.06076	0.6
426.08185	0.6
464.50589	0.6
471.33005	0.6
499.35364	0.7
599.27271	5.0
633.38837	4.4
651.39673	48.0
693.40570	11.6
704.96649	0.7
795.44226	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	13.9
59.01382	51.5
68.77665	0.6
71.01377	25.1
73.02935	3.4
83.01373	1.4
85.02931	6.7
87.00870	2.3
89.02442	34.3
92.94241	0.6
95.01352	1.5
99.04519	8.4
101.02438	26.9
113.02444	18.8
119.02690	0.9
119.03492	14.1
125.02428	6.3
161.04578	2.7
179.05591	0.9
192.20227	0.8
192.61964	0.7
200.46822	0.7
234.19508	0.9
379.89679	0.8
483.04303	0.8
487.92154	0.7
622.67993	0.7
633.38635	6.8
651.39685	48.9
693.40607	9.4
733.43768	1.1
795.44019	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4538
Annotation	Soyasaponin III
Peak:m/z	Relative Intensity
56.77336	0.4
57.03452	0.5
58.00582	0.4
59.01382	48.3
66.02241	0.3
66.72756	0.3
71.01377	28.4
72.99316	1.6
73.02938	2.0
81.03481	0.4
83.01377	1.9
85.02954	6.6
87.00853	0.8
89.02436	35.5
90.28361	0.4
90.73058	0.4
95.01367	1.8
99.08107	0.3
101.02435	17.2
101.03092	0.8
107.56826	0.5
110.56155	0.4
113.02444	15.3
119.02676	0.8
119.03480	11.5
119.04327	0.4
123.99275	0.3
131.03500	0.8
143.03439	0.7
161.04544	1.9
179.05598	4.1
180.19493	0.4
271.06158	0.4
298.04913	2.2
299.05768	3.7
372.33536	0.4
449.01321	0.4
495.98190	0.4
503.12344	2.0
615.39459	0.4
673.42889	0.5
678.26508	0.5
781.90662	0.4
795.45526	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35566	2.5
57.03452	23.4
58.57958	1.9
59.01386	39.5
69.29449	2.2
70.80670	2.0
71.01370	17.9
73.02959	2.2
85.19851	2.5
88.65009	2.2
89.02444	15.7
95.64787	2.2
99.04510	24.8
101.02451	17.7
103.82345	2.0
113.02448	13.4
119.03540	2.5
124.51311	2.3
125.02431	11.1
140.32959	2.8
150.14462	2.2
164.69659	2.2
226.75868	2.4
236.74748	3.1
298.04593	3.4
318.12106	2.7
372.40625	2.6
395.80667	2.9
450.80945	2.8
651.41217	15.7
795.45508	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4547
Annotation	Soyasaponin III
Peak:m/z	Relative Intensity
57.03460	1.0
57.37638	0.3
59.01384	100.0
63.61747	0.4
71.01379	24.4
73.02946	11.9
75.88799	0.4
83.01393	2.9
85.02952	10.1
87.00885	0.5
89.02440	19.3
92.22549	0.5
95.01378	2.7
97.02973	1.0
101.02441	19.2
106.14945	0.4
113.01648	0.8
113.02445	22.8
119.03496	8.0
120.57466	0.4
124.13432	0.4
125.02444	0.7
131.03513	0.9
143.03496	2.2
149.04555	2.0
161.04552	5.4
179.05551	4.3
210.27826	0.5
221.06631	0.9
304.63849	0.4
339.65295	0.5
542.36743	0.4
639.39966	0.5
651.39978	1.0
675.29468	0.8
675.41235	43.3
693.42273	22.4
735.43359	88.5
795.44165	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	795.4535
Annotation	Soyasaponin III
Peak:m/z	Relative Intensity
56.69734	0.9
59.01382	100.0
71.01379	23.9
73.02940	10.1
78.91469	1.1
78.95890	1.1
83.01422	1.4
85.02937	11.0
87.00902	1.6
89.02439	19.5
92.22505	2.2
95.01364	1.9
95.39193	1.0
101.02431	17.9
112.34586	1.1
113.02450	27.6
114.45839	1.0
119.03486	6.4
143.03525	2.3
161.04581	2.7
163.71719	1.1
179.05598	4.5
225.20352	1.1
236.98042	1.1
417.56775	1.3
529.33490	1.2
637.34387	1.2
675.41229	35.2
693.42511	21.4
735.43323	72.7
795.44952	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	795.4547
Annotation	Soyasaponin III
Peak:m/z	Relative Intensity
56.47960	0.5
57.03439	0.9
57.35631	0.5
59.01383	31.3
68.99810	3.5
71.01378	24.1
73.02936	7.6
83.01360	2.4
85.02955	7.6
87.00855	4.6
87.83044	0.5
89.01879	0.9
89.02438	26.6
92.23179	0.8
95.01381	2.5
99.00874	10.8
101.02437	24.3
107.01846	0.6
108.70753	0.7
112.89201	0.6
113.02439	21.0
119.03482	10.7
125.02414	1.2
131.03500	9.3
134.03714	2.1
137.64255	0.6
143.03503	2.4
149.06029	0.6
159.02994	1.3
161.04543	17.9
165.05544	1.2
178.02643	0.9
179.05634	8.7
193.05005	2.3
221.06677	14.4
229.64203	0.6
263.07742	7.7
341.10522	1.2
374.06201	0.6
389.12540	3.1
445.67734	0.6
633.39838	1.0
691.40930	9.1
709.41455	2.3
751.42584	5.9
795.45465	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	13.4
61.08262	1.4
66.85003	1.3
71.01378	13.8
73.02934	1.8
75.00866	9.6
79.30766	1.4
81.52353	1.4
85.02948	11.4
89.02441	9.9
95.01436	1.8
99.00875	9.7
101.02457	10.7
104.16557	1.6
113.02460	15.2
119.03505	6.9
139.00354	1.5
205.96800	1.7
252.47868	1.9
344.98456	1.8
473.86578	1.8
511.78030	1.7
588.60425	1.9
715.07227	1.6
795.45532	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	11.4
71.01376	11.7
71.23744	0.8
72.99310	1.6
73.02930	1.7
74.95654	0.9
75.00868	14.3
83.01370	1.1
83.37257	0.8
85.02945	15.9
86.12579	0.8
87.00870	4.1
89.02435	5.1
95.01351	1.8
99.00852	5.5
101.02451	6.4
113.02444	23.1
115.00351	0.9
116.92822	1.1
117.01949	1.0
129.01944	1.1
131.97305	0.8
132.13731	1.0
266.50970	0.9
266.54138	1.0
270.06396	1.1
735.43018	1.5
795.45441	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.9
59.01382	81.2
71.01379	26.5
71.02686	1.0
71.90659	1.3
72.99326	1.0
73.02950	19.9
75.00892	1.6
75.79592	1.0
83.01391	4.8
85.02940	10.5
87.00877	1.6
89.02444	15.8
95.01383	2.3
99.00887	1.4
101.02441	23.2
113.02438	22.3
119.03497	6.2
131.03511	1.1
143.03462	1.1
161.04549	5.7
207.50192	1.0
211.22813	1.0
225.16719	1.1
277.15344	1.1
291.41473	1.1
675.41046	22.8
693.42249	10.5
735.43359	100.0
786.90491	1.2
795.45746	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	795.4536
Annotation	Soyasaponin III
Peak:m/z	Relative Intensity
57.03445	1.3
59.01380	100.0
59.10260	0.8
59.57548	0.9
62.44839	1.0
71.01374	15.7
73.02940	2.6
75.00862	7.6
82.50429	1.2
83.01381	1.0
85.02965	9.2
87.00890	1.4
89.02435	13.3
95.01398	1.6
99.00880	4.6
101.02445	12.5
103.00367	63.0
103.03999	2.5
113.02425	13.3
119.03485	2.6
161.04590	2.1
165.48952	1.1
298.04831	1.3
397.85248	1.2
651.39380	4.8
665.76288	1.4
675.41266	30.5
693.42316	10.3
735.43347	41.6
795.45483	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	795.4552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69505	0.4
57.03450	3.9
59.01381	29.3
71.01376	23.7
73.02934	6.9
83.01375	3.7
85.02943	11.0
89.02438	16.6
92.23145	0.5
95.01364	1.9
97.02903	0.5
99.00893	2.9
99.04514	1.8
101.02439	24.2
111.00877	0.8
113.02444	16.0
119.03481	6.0
125.02457	0.8
129.01938	0.4
131.03476	0.6
143.03384	0.5
153.96536	0.5
159.03001	0.9
161.04532	2.5
179.05688	0.4
247.39221	0.4
295.43323	0.5
441.33432	0.6
574.48553	0.4
603.39563	1.5
633.39563	0.6
651.39783	7.8
691.41034	4.3
693.40802	2.0
709.41693	1.0
751.42865	4.1
795.45135	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04501	0.2
59.01379	1.2
72.44962	0.2
72.99317	0.2
73.02929	0.2
84.14524	0.2
85.02930	0.2
87.35300	0.2
89.02421	0.4
89.09262	0.2
92.22509	0.3
99.72372	0.2
101.02370	0.2
107.01382	0.3
109.03911	0.2
112.65705	0.2
119.05003	0.3
132.02167	0.2
134.03731	3.0
135.04570	0.3
145.02898	0.3
146.19934	0.2
149.06093	0.3
151.00340	2.1
151.04025	0.2
155.56863	0.2
160.01634	1.9
161.02463	0.8
163.03958	0.8
175.03975	2.4
178.99849	1.1
179.03467	0.3
193.05034	1.4
211.03978	0.2
227.03493	6.9
229.05063	0.3
239.03500	0.3
241.04936	0.3
255.03000	23.1
256.03812	4.2
257.04678	1.1
283.02463	2.5
284.03281	100.0
285.04053	9.4
285.07211	0.3
297.04092	0.2
298.04803	1.9
299.05566	0.8
300.05756	0.3
325.03482	0.3
339.05029	0.3
603.13586	9.0
621.14789	4.3
721.22974	0.3
797.19366	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	797.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
59.82866	0.1
68.42451	0.2
78.19195	0.2
78.46961	0.1
78.85398	0.1
83.01398	0.3
90.11716	0.2
91.75688	0.2
92.23055	0.3
94.67336	0.2
107.01418	0.3
122.34789	0.2
125.02425	0.2
132.02234	0.2
133.02881	0.2
134.03746	3.2
135.04549	0.3
149.06052	0.3
151.00374	2.4
152.01158	0.3
153.01910	0.2
156.77887	0.2
160.01636	1.4
161.02454	0.9
168.93558	0.2
169.01492	0.2
175.04001	3.4
178.99838	1.0
179.03506	0.2
193.05061	1.7
211.04106	0.2
227.03511	7.1
229.05133	0.4
231.46774	0.2
241.05157	0.3
255.03006	22.1
256.03812	4.3
257.04636	1.2
269.04572	0.3
283.02432	2.4
284.03290	100.0
285.04062	9.5
297.04037	0.3
297.58829	0.2
298.04971	1.4
299.05609	1.7
300.06003	0.8
301.06119	0.3
325.03677	0.2
339.05020	0.2
341.06461	0.3
388.54568	0.2
429.08151	0.3
503.12054	0.3
505.12772	0.4
528.25293	0.2
561.12372	0.2
603.13696	8.1
621.14752	4.8
635.15918	0.2
678.02905	0.2
797.19434	54.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.2153
Annotation	Rindoside
Peak:m/z	Relative Intensity
57.03449	0.6
59.01380	2.2
67.67596	0.6
71.01369	0.6
71.73309	0.5
72.13350	0.5
90.19201	0.5
96.13515	0.5
99.00769	0.6
109.02957	6.1
113.02449	0.7
121.02949	23.8
122.03713	6.3
123.04460	0.7
132.76918	0.6
135.04524	15.7
153.05547	0.7
164.04749	2.1
165.01831	0.6
179.07144	4.8
242.63129	0.5
271.06070	3.6
272.64740	0.6
286.08527	14.9
299.05612	6.0
301.10837	100.0
445.15137	0.8
463.16232	3.0
505.17224	55.3
547.18225	7.3
608.71466	0.6
633.89539	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00576	1.6
59.01381	100.0
67.59962	0.9
71.01377	55.1
72.99286	1.3
73.02938	21.8
83.01382	6.3
85.02952	8.5
87.00884	1.6
89.02431	76.1
95.01362	4.7
95.10214	1.0
101.02438	52.1
103.05048	1.2
112.51225	1.1
113.02429	29.7
119.03488	23.4
123.94825	1.2
131.03537	2.3
143.03491	4.9
144.50485	1.2
149.04521	5.9
161.04541	16.5
179.05597	24.2
185.83453	1.4
221.06700	6.3
513.92871	1.3
531.18787	80.4
573.19244	2.2
797.21454	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	797.3611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	94.9
57.47922	2.1
57.86790	2.2
59.01380	79.4
71.01357	2.5
71.47382	2.6
81.03432	2.8
87.93804	2.3
88.47224	2.3
89.87910	2.8
90.94051	2.3
99.04513	100.0
101.02437	17.6
103.09077	2.8
116.92853	26.0
121.02946	4.1
125.02429	49.7
132.00641	2.6
134.89464	3.2
135.89450	2.9
136.89169	23.6
137.89183	3.5
145.12279	2.6
169.22354	2.4
193.27600	3.1
227.64122	3.8
479.19363	16.0
518.09406	2.5
521.20319	20.6
753.37390	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	797.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
60.50476	2.3
64.13646	1.9
69.50091	2.0
70.12123	1.9
73.66087	1.8
73.84768	2.2
84.73837	1.9
91.13477	2.1
92.83497	2.1
99.92592	13.0
104.84930	1.9
115.92051	8.1
116.92851	100.0
152.71155	2.3
226.92056	2.1
226.96498	3.5
227.34100	2.5
245.33522	2.0
279.23355	2.3
307.10413	2.4
319.99374	2.4
341.06451	2.5
347.52173	2.1
446.12018	2.5
470.41776	2.2
612.30865	2.3
797.37970	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	797.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03198	1.4
57.03455	26.9
57.97377	1.1
59.01097	2.5
59.01382	54.3
71.01378	29.9
73.02934	11.1
73.08707	1.3
83.01382	7.7
85.02945	18.0
89.02448	13.0
95.01383	6.9
97.08218	1.3
99.00880	6.0
99.04504	9.6
101.02448	37.7
106.08671	1.4
110.78405	1.5
111.00906	2.8
112.01685	1.9
113.02443	33.3
117.03493	1.4
119.03468	3.5
125.02470	14.0
127.73426	1.4
133.61734	1.4
134.03735	45.3
143.03508	6.0
149.04822	1.4
149.06059	13.9
159.02922	1.9
160.01636	5.9
161.04547	11.9
163.03973	1.4
175.03999	14.1
178.02771	5.0
193.05063	65.6
243.23396	1.9
254.33430	1.7
283.02438	6.3
298.04947	6.9
299.05432	3.5
327.21887	1.7
387.27582	6.7
391.17145	1.7
405.28848	10.0
549.33044	22.5
567.33942	25.8
591.33881	3.4
609.34930	54.5
651.36530	7.9
651.92981	1.9
667.36823	1.9
753.39172	100.0
761.32477	70.0
797.38348	15.5
797.48090	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	797.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.3
59.01383	8.9
60.94749	0.5
66.98759	0.5
71.01385	8.9
71.67332	0.5
73.02940	0.7
75.00878	4.2
83.01363	0.8
85.02948	13.5
87.00870	1.1
89.02435	7.4
95.01380	2.9
99.00874	14.0
101.02435	0.7
112.01635	0.7
113.02438	16.5
121.69122	0.5
139.00394	0.8
157.01385	1.3
158.41829	0.6
188.37845	0.6
272.64178	0.6
299.05554	1.2
345.07184	0.5
381.09091	0.7
395.10275	0.6
404.49857	0.6
418.05374	0.6
423.29120	1.1
427.32019	0.8
441.30051	1.2
471.31223	3.2
487.30762	1.1
489.32285	8.6
571.32825	3.5
585.34607	2.1
603.35315	1.0
647.33917	5.5
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	797.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	46.5
75.00859	6.7
75.36610	0.7
85.02993	0.7
89.02446	1.1
101.02403	1.1
103.00370	100.0
103.04002	4.3
140.21593	0.7
163.76271	0.8
231.73083	0.8
247.90480	0.8
255.04109	0.7
294.42490	0.9
426.79495	0.9
455.07742	0.8
463.40817	0.7
652.08710	0.9
693.41724	1.2
737.44080	2.8
797.45081	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4689
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.9
59.01381	45.4
60.40557	0.4
62.39810	0.5
71.01379	22.3
73.02931	1.8
75.23911	0.4
83.01388	1.8
83.04506	0.5
85.02926	4.6
86.99032	0.4
89.02438	30.0
92.22529	0.6
94.28676	0.4
95.01385	2.1
99.04510	0.8
101.02438	15.8
112.51233	0.4
113.02433	10.7
119.02840	0.5
119.03514	9.7
131.03481	0.5
136.05730	0.5
143.03435	0.6
161.04521	0.6
179.05640	1.7
179.83418	0.4
196.28848	0.5
208.00099	0.5
235.78351	0.5
261.27536	0.5
289.10434	0.4
303.83466	0.5
477.69815	0.6
753.41089	0.5
797.47009	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4703
Annotation	Thalicoside A
Peak:m/z	Relative Intensity
55.39785	0.7
59.01380	36.2
60.36140	0.7
61.22859	0.7
71.01376	21.2
72.99322	0.9
73.02955	1.2
80.28025	0.8
82.54014	0.7
83.01382	1.6
85.02930	4.5
89.02433	30.4
91.93217	0.8
95.01350	1.3
101.02446	16.4
102.46726	0.8
113.02428	10.0
119.03490	8.8
136.32500	0.9
171.42174	0.8
181.13803	0.9
224.39877	0.9
797.46985	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.8
71.01369	0.6
89.02410	0.8
93.03448	2.6
97.13299	0.4
137.02457	5.3
165.01903	5.1
175.04044	0.6
239.16490	0.4
255.02974	4.3
270.79752	0.5
271.06110	2.2
283.02487	57.2
284.03210	3.8
298.04840	100.0
298.37561	0.5
299.05576	17.7
312.06601	0.5
461.10941	0.6
554.49341	0.6
617.15118	10.0
635.16602	1.1
637.15790	4.9
755.18390	59.5
799.38568	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.9
63.82220	0.8
65.53521	0.7
66.08304	0.8
71.01355	1.0
79.22779	0.7
93.03453	1.7
101.02442	1.4
109.61900	0.8
113.02437	1.1
118.04771	0.7
134.03691	0.9
151.82689	0.8
160.01637	4.4
161.02460	1.3
165.01930	23.3
175.04010	14.8
193.05093	1.9
240.04262	1.7
243.06671	0.9
253.67259	0.9
255.03043	1.1
256.03937	1.0
271.06177	20.6
283.02496	15.2
284.03333	15.6
284.06226	1.6
298.04855	33.6
299.05627	100.0
301.59073	0.8
337.09296	1.4
341.48917	0.9
448.69193	1.0
461.10928	23.2
637.15723	74.5
775.70258	0.9
799.20258	1.3
799.47198	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	799.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39046	0.2
59.01388	0.4
63.51215	0.3
75.80799	0.3
78.10642	0.3
80.85153	0.3
93.03461	1.6
102.12691	0.3
117.86448	0.3
132.02129	0.4
133.78308	0.2
134.03740	1.7
134.66788	0.3
135.04454	0.3
139.56337	0.3
140.49774	0.3
149.06035	0.5
151.00380	0.4
160.01648	5.6
161.02461	1.7
165.01926	22.5
175.03996	15.2
178.02734	1.3
179.03462	0.5
193.05038	2.9
206.02222	0.4
212.04814	0.4
235.06293	0.4
240.04265	4.5
241.56743	0.4
243.06628	1.4
255.03008	1.5
255.06735	1.8
256.03763	1.5
271.06140	27.3
283.02505	12.0
284.03287	15.2
284.05713	0.4
298.04852	35.3
299.05634	100.0
313.07205	0.4
337.09256	3.4
416.25638	0.3
461.10934	20.2
637.15710	69.4
799.21149	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	799.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.1
59.01368	4.3
66.61537	0.6
71.01378	8.9
72.99306	3.5
73.53225	0.5
75.00863	9.9
78.19971	0.5
85.02934	3.1
85.77904	0.5
87.00849	3.8
87.73759	0.5
89.02442	2.3
97.02921	0.7
99.00874	11.6
101.02448	1.0
111.00855	0.7
112.91591	0.6
119.05001	9.7
123.04543	0.7
129.01932	20.9
131.03479	1.2
134.03735	2.6
142.44766	0.6
145.02956	2.7
149.06075	1.3
150.03157	1.9
159.02980	5.0
159.04202	0.6
161.06070	1.2
163.04004	37.3
165.05576	6.0
175.04033	1.2
176.04808	2.4
177.04033	15.7
177.05444	0.8
178.02734	2.8
179.03465	1.0
191.07144	3.5
193.05070	11.7
195.05104	65.5
195.06531	2.8
197.04597	3.5
205.05061	3.7
235.06078	2.4
254.47673	0.7
265.07092	1.1
267.07156	1.3
282.09027	0.9
341.08771	100.0
389.12466	2.4
431.13306	0.9
457.13504	4.0
551.17737	0.7
593.18774	12.6
635.20227	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.231
Annotation	Unknow
Peak:m/z	Relative Intensity
66.20174	1.1
71.49129	1.3
78.02949	1.3
85.68644	1.2
93.03442	35.4
93.36214	1.3
100.25742	1.2
101.28757	1.1
112.58861	1.4
137.02438	100.0
147.62119	1.6
149.02452	8.2
152.01147	1.5
164.04802	32.2
179.03499	2.1
179.07135	14.3
190.02757	5.6
193.13432	1.8
205.05103	14.5
208.03781	34.5
223.06126	86.8
247.27667	1.5
413.10696	10.7
431.12091	1.9
637.17810	99.3
799.23004	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	799.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58154	0.5
57.03452	50.7
59.01383	57.7
71.01376	6.9
71.17943	0.6
73.02930	4.3
79.48586	0.6
81.03443	0.7
85.02953	3.9
89.02446	2.4
89.37308	0.6
99.00890	0.6
99.04514	66.6
101.02437	18.2
113.02418	7.1
125.01536	1.1
125.02434	26.9
143.03484	3.9
161.04538	8.6
175.04016	0.8
184.15071	0.6
201.15588	0.7
284.03204	1.0
299.05606	3.0
307.17731	4.5
349.18701	18.4
389.21729	1.2
407.22815	1.4
451.21906	100.0
461.10522	1.3
514.74731	0.7
685.46729	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	73.6
57.06531	0.9
57.30330	0.9
58.20058	1.0
59.01382	66.7
61.52485	0.8
63.23662	0.9
71.01379	10.0
73.02945	1.1
74.90536	0.9
75.33772	0.9
78.50400	1.1
80.66417	1.0
84.07011	0.9
85.33773	0.9
89.02436	16.8
99.04511	86.2
101.02435	21.6
113.02424	7.2
119.03498	5.4
125.02439	33.3
137.02351	1.6
143.03513	5.4
161.04575	1.5
221.06700	1.8
249.13515	1.3
278.34021	1.2
283.02518	1.8
284.03110	4.6
298.04901	8.3
299.05487	13.3
300.05383	1.6
303.14484	15.9
304.59543	1.2
343.17825	1.3
393.17651	7.3
405.17706	100.0
459.82446	1.3
461.10696	5.7
507.33936	1.1
582.60205	1.1
627.14069	1.1
637.16730	8.4
799.22150	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	799.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91031	1.0
57.03452	68.1
59.01147	2.2
59.01381	58.3
71.01365	10.4
73.02938	1.9
80.82854	1.1
85.02980	4.2
85.66753	1.1
89.02424	5.4
91.61549	1.0
99.00845	1.7
99.04511	65.9
101.02429	31.8
113.02419	9.7
114.46999	1.1
117.25615	1.0
123.27232	1.4
125.02432	19.4
125.03257	2.1
143.03479	4.2
159.03029	1.3
161.04561	10.6
170.04639	1.2
171.50253	1.1
181.12337	1.4
218.04726	2.4
219.05275	1.3
225.11523	2.0
249.13480	24.9
261.13440	19.1
284.03204	2.5
291.14566	6.7
311.51685	1.4
343.13049	1.9
347.17218	1.2
355.13080	2.4
393.17694	100.0
405.17563	73.6
451.21680	1.4
568.50360	1.3
579.12402	1.4
628.94501	1.3
681.71130	1.3
755.33942	1.6
799.38007	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	799.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	2.0
57.37831	1.6
59.01384	19.2
66.21212	1.6
71.01384	24.9
73.02946	8.9
73.45381	1.8
78.12548	1.8
78.99066	1.8
82.93965	1.7
83.01375	3.5
85.02943	14.5
89.02434	7.7
99.00867	4.3
101.02438	25.5
113.02455	15.6
119.03545	2.4
153.65941	2.0
159.03029	2.4
161.04506	3.1
191.77724	2.1
275.61105	2.4
445.29416	3.2
544.37183	2.3
739.39227	100.0
799.43793	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	799.4485
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01165	0.7
59.01392	9.7
59.24261	0.8
62.39580	0.8
68.57288	0.8
71.01370	1.2
72.14336	0.8
72.99317	1.1
75.00890	3.7
87.00872	6.9
99.17808	0.8
103.00350	10.2
105.01936	100.0
108.59402	0.8
131.49277	0.9
547.84796	1.0
779.85590	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.4081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	49.9
59.36459	2.3
61.98832	92.4
62.11306	2.4
66.44451	2.3
67.68934	2.4
68.46380	2.7
71.01378	12.8
72.70329	2.9
73.02960	3.5
85.02969	5.0
85.92381	2.9
96.93733	2.6
101.02437	11.1
111.72736	2.6
113.02444	11.8
161.04701	2.9
203.22086	2.7
313.94846	2.8
413.30347	4.6
477.79303	3.2
489.35934	10.6
633.40143	32.6
693.42236	100.0
800.49237	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	801.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.6
71.01376	0.4
89.02435	0.6
93.03449	25.3
101.02444	0.4
113.02435	0.7
119.05022	0.6
122.22101	0.3
123.00899	0.4
124.01629	0.6
137.02443	100.0
138.03285	0.8
139.04004	3.6
139.14801	0.4
147.04597	0.4
149.06122	0.5
152.01170	0.4
162.35452	0.5
163.04053	0.8
164.04718	0.3
165.05585	0.5
167.03499	4.7
193.05052	2.1
208.03743	0.7
223.06140	3.7
299.07721	1.5
311.98059	0.5
341.08774	0.5
342.78104	0.4
553.15869	3.3
595.16803	44.8
757.21179	0.4
801.24304	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	47.9
66.00273	2.4
71.01366	18.6
73.02943	46.5
80.76061	2.3
83.01393	10.1
85.02964	2.7
89.02460	3.5
101.02431	39.5
113.02431	14.0
119.03474	3.2
125.02470	3.4
132.10599	2.7
149.02515	17.7
150.03209	38.5
151.03973	4.3
161.04556	5.1
164.04802	5.1
165.05551	53.4
180.04230	4.1
195.06642	14.0
208.70869	2.7
221.06711	4.3
309.07816	27.4
323.09460	2.9
324.10028	31.5
339.12299	17.3
449.42075	2.8
474.84558	2.9
487.17667	25.6
505.18753	4.5
535.19257	3.5
553.20807	11.2
709.25397	4.0
757.27185	100.0
800.99451	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	801.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.69543	0.4
62.44888	0.4
83.01405	0.7
85.02956	0.9
92.23179	0.5
96.03661	0.4
101.02447	0.5
108.75784	0.5
118.45834	0.4
119.05035	0.8
123.04524	7.1
125.02437	3.2
126.99992	0.5
163.04022	2.2
167.03497	100.0
169.36810	0.4
171.65762	0.4
209.04738	0.9
209.06644	2.9
355.10345	3.4
363.09634	0.4
371.09857	30.1
415.08939	3.7
435.33713	0.4
443.11612	0.4
501.36908	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
59.40714	0.2
60.05444	0.2
63.47524	0.2
99.92561	3.0
109.89062	0.3
116.92850	100.0
116.97229	0.7
117.01910	0.6
119.40932	0.3
260.98709	0.3
522.05548	0.3
584.39404	0.3
605.35718	0.3
632.21960	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	2.5
63.96225	1.0
68.62417	1.1
70.08147	1.0
71.01377	4.9
72.75941	1.1
73.58133	1.0
76.47474	1.1
78.98597	2.1
79.95741	4.7
80.96511	39.2
85.02937	1.4
87.00835	2.7
94.98087	13.6
96.95972	1.1
101.02449	1.3
106.98058	4.5
111.84021	1.1
112.71143	1.0
122.97570	1.7
125.02414	5.1
134.97571	5.3
135.99451	1.2
148.99077	8.2
152.98599	9.7
164.98615	21.4
183.13857	7.6
206.99591	4.5
225.00758	41.9
311.22357	5.2
345.16455	1.1
509.16870	2.7
573.23535	4.0
757.39703	1.4
801.37292	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	801.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.8
60.74609	1.0
64.47710	1.0
71.01377	20.4
73.02932	5.7
75.26557	1.2
85.02930	11.4
87.04505	9.5
88.59888	1.2
89.02419	7.7
94.87392	1.2
95.27122	1.1
99.00852	1.7
101.02436	12.2
113.02446	7.0
115.07608	1.5
159.10278	19.7
161.04451	1.4
190.75710	1.2
239.69194	1.3
262.06506	1.3
320.62411	1.4
389.26865	1.8
507.36905	7.4
612.62354	1.3
639.41296	9.3
660.07831	1.4
661.65808	1.5
801.46552	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.5896
Annotation	Unknow
Peak:m/z	Relative Intensity
61.15265	0.3
64.52760	0.4
92.22608	0.6
105.27575	0.5
114.43547	0.4
116.70084	0.3
129.68988	0.4
163.58310	0.4
279.23300	100.0
298.04633	0.4
380.36008	0.4
471.93478	0.5
801.52386	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00039	1.2
56.67113	1.2
57.70479	1.0
59.01384	81.1
61.98831	100.0
71.01381	6.8
85.02953	5.7
91.00665	1.1
101.02444	4.5
113.02432	6.9
153.95398	1.3
156.14890	1.3
299.05560	1.9
415.32123	2.4
489.35913	2.0
491.37619	7.2
635.41797	51.3
653.42438	2.6
695.31610	2.2
695.43817	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	803.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61666	0.5
58.38879	0.6
72.99321	1.0
93.03452	36.3
100.25438	0.8
103.97834	0.7
113.02423	0.8
121.02942	0.8
130.62776	0.6
134.03752	12.2
137.02443	100.0
149.06064	7.5
150.03214	10.3
160.01648	1.2
165.05579	21.1
168.94220	0.7
175.04004	6.2
178.02699	12.1
180.81264	0.7
188.70538	0.6
193.05060	30.7
195.06596	3.8
200.98190	0.7
389.12421	3.3
413.10898	18.6
607.16748	28.3
803.23999	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	803.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76686	0.4
69.07539	0.4
69.90926	0.3
71.50235	0.4
114.02393	0.5
116.29339	0.5
119.74598	0.5
121.02968	0.5
122.03764	0.9
133.03024	1.6
137.05998	0.6
145.93153	0.4
147.04520	0.9
149.02441	3.5
149.06100	1.9
150.03220	37.6
150.30464	0.6
151.03987	2.3
159.04518	0.7
160.05251	5.2
161.06067	0.5
162.03348	0.7
163.04021	1.1
164.04810	6.3
165.05563	100.0
173.05928	0.5
175.07649	10.9
176.04770	1.9
177.05637	3.4
178.06345	7.5
180.04248	6.7
191.07233	0.4
192.08008	3.9
193.08664	1.8
195.06645	22.7
270.09006	0.7
315.12338	1.1
329.13974	23.0
432.15781	1.1
444.15387	0.5
447.18265	4.6
459.18219	1.7
477.19232	13.3
507.20358	1.9
525.21344	41.3
555.22375	38.2
597.23309	2.9
626.50421	0.6
669.24811	0.6
729.27716	21.0
759.28741	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	803.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.8
71.01385	0.5
92.22459	0.4
121.02956	2.0
122.03722	2.2
123.04506	0.9
133.02954	1.2
134.03712	0.7
135.04584	0.6
136.05240	0.5
146.03706	0.5
147.04526	1.0
149.02422	4.2
149.06042	3.3
150.03214	40.6
151.04007	1.0
159.04498	0.6
160.05322	5.3
161.06093	1.0
163.04044	1.0
164.04778	6.9
165.05560	100.0
173.06094	1.8
175.07637	11.1
176.04781	0.8
177.05617	5.7
178.06367	8.1
180.04311	5.9
189.04022	0.5
191.07133	0.8
192.07903	4.3
193.08701	2.6
195.06635	28.1
241.05096	0.7
270.08981	1.1
285.11234	0.9
297.11377	0.6
315.12411	2.5
329.13971	22.1
342.57523	0.5
432.15894	0.9
447.18008	5.9
459.18057	1.8
477.19183	19.0
477.25504	0.9
507.20236	2.3
525.21344	38.0
555.22382	40.4
597.23169	2.7
711.26611	0.6
729.27649	18.8
759.28912	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	803.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98736	0.5
59.01380	100.0
70.21169	0.5
71.01367	14.0
73.02946	4.1
83.01398	0.9
85.02931	5.0
89.02451	6.6
92.23035	0.9
95.01394	0.7
96.83413	0.7
99.00884	2.6
101.02439	13.2
102.56956	0.7
113.02460	9.3
114.63151	0.7
119.03477	3.4
134.03716	5.0
143.03476	1.4
149.06047	2.6
152.37801	0.6
159.02963	1.6
161.04523	5.7
175.03951	1.2
176.38605	0.7
178.02831	0.7
193.05066	9.6
211.02950	0.6
271.06232	1.4
298.04919	2.8
299.05588	6.4
315.18140	8.4
357.19205	30.9
401.18048	1.3
503.11685	0.8
563.71155	0.8
599.27295	2.6
641.28625	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	803.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76261	0.4
59.01370	0.7
63.96241	0.5
71.01367	3.2
73.02936	0.5
78.98585	3.2
79.95735	15.7
80.96514	32.4
80.96991	1.2
81.03447	0.9
85.02974	1.7
87.00864	0.9
92.23083	0.6
92.40305	0.5
94.98072	7.6
96.96007	1.2
97.02953	1.1
101.02444	1.2
106.88725	0.6
106.98074	2.1
107.45019	0.5
113.02448	0.5
113.83361	0.6
116.92828	2.2
122.97559	2.5
125.02452	4.4
127.04017	0.6
134.97574	4.2
136.99170	1.0
148.99135	6.0
152.98613	7.9
164.98618	17.2
171.50772	0.6
183.13936	4.1
185.58377	0.5
199.64026	0.5
206.99669	4.2
225.00757	43.9
241.00461	0.6
283.04849	2.3
341.05569	3.2
355.07086	2.2
362.17090	0.5
411.13364	0.6
447.73532	0.5
459.63705	0.5
509.17032	6.4
525.16266	0.7
575.25677	1.8
581.19104	3.5
595.20569	1.2
609.22607	3.1
623.23975	2.1
624.67261	0.5
646.16901	0.6
651.26764	0.8
665.28162	2.1
705.31696	1.8
733.31879	0.8
803.39014	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
63.42744	1.8
84.43462	1.8
89.67670	1.9
97.56211	1.9
101.02404	2.3
109.27254	1.9
115.74539	2.0
233.09546	1.9
642.53455	2.1
767.46112	8.1
803.43658	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4596
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
65.08178	1.9
71.01379	15.4
73.02929	3.6
85.02950	9.2
89.02416	2.4
99.03482	2.2
101.02452	10.7
113.02416	8.5
125.79814	2.3
155.95514	2.7
214.01172	2.4
302.99179	2.4
336.86401	2.3
536.83344	2.7
701.91272	2.6
743.44092	34.6
761.45227	21.7
803.46271	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	803.4959
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.4
58.74688	1.2
59.01372	9.1
63.43335	1.1
71.01382	8.4
72.99294	2.4
73.02976	1.3
75.00864	10.6
85.02946	13.0
86.63766	1.3
87.00863	2.5
89.02435	1.6
91.59859	1.5
95.01387	2.2
99.00870	7.6
103.00351	2.0
113.02435	12.3
114.86747	1.3
115.00364	1.4
116.92841	1.4
117.01916	1.5
138.73340	1.2
139.76819	1.2
158.02927	1.3
195.13907	3.2
268.96671	1.5
273.82092	1.6
275.20142	3.2
277.21753	35.1
293.21216	8.9
333.88742	1.5
490.15390	1.7
803.34607	3.4
803.49677	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28717	0.8
56.73555	0.8
66.26052	0.8
67.58111	0.8
94.04843	0.8
99.44012	0.8
99.92599	3.4
109.24747	1.0
114.93372	1.0
116.92852	100.0
162.92688	0.9
178.87761	0.9
202.72714	0.8
464.66040	1.1
534.23096	0.9
805.17017	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	805.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
63.73289	0.1
70.11076	0.2
73.02942	0.2
99.02671	0.2
99.92582	3.9
106.78328	0.2
114.93398	1.4
114.97394	0.2
116.92852	100.0
117.01919	0.8
218.50644	0.2
501.29639	0.2
606.64575	0.2
759.62140	0.2
805.16107	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	805.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
62.83639	0.5
68.07165	0.5
143.10713	2.7
156.23801	0.6
165.01932	4.0
244.41074	0.7
255.02969	6.7
271.06244	0.8
279.42462	0.7
283.02499	77.8
284.03253	5.9
298.04855	100.0
298.85007	0.8
299.05627	6.9
309.76337	0.6
343.66028	0.6
617.15344	20.3
761.26740	66.5
799.16388	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	6.7
62.47916	1.1
65.74008	0.9
67.16576	0.8
68.11839	1.1
72.46631	0.9
88.24389	0.9
111.10191	1.1
127.87475	0.9
149.02451	4.6
150.03226	20.9
161.03954	1.1
164.04807	4.3
165.05566	62.9
165.06960	2.3
173.75871	1.0
180.04315	4.0
193.36668	1.0
195.06683	14.2
209.31601	1.0
223.19080	1.0
280.37634	1.1
326.11563	2.3
327.08673	1.8
339.08737	6.0
341.13895	4.0
342.11026	7.5
354.11237	6.2
357.13477	9.7
369.13632	1.7
375.15823	1.5
396.51016	1.1
461.16614	1.5
472.15427	1.4
487.17679	1.3
490.16354	2.0
505.18918	2.0
535.19751	7.1
565.19794	1.1
583.21936	100.0
805.32281	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	805.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.7
65.80254	0.2
72.99287	0.2
74.29404	0.2
77.96204	0.1
78.43895	0.2
84.93872	0.4
96.74364	0.2
96.95999	2.1
98.95569	0.8
99.00872	2.2
99.92577	9.3
100.93354	8.4
103.00348	0.4
114.93391	0.4
114.94919	0.2
115.73698	0.2
115.92068	27.1
116.92850	100.0
117.93629	0.2
132.92238	0.2
140.92821	1.0
141.93634	0.3
142.94402	2.0
156.92377	1.3
158.93883	1.6
171.94687	0.2
173.92604	0.4
177.84972	0.2
182.93817	0.3
183.94728	0.2
184.91835	1.0
184.95470	0.3
186.93343	0.2
195.94728	0.2
196.95511	1.0
217.93901	0.2
223.94145	0.3
242.96158	0.6
259.96219	1.0
301.97482	0.2
573.28802	1.0
683.31995	0.3
701.33240	1.7
719.34955	1.0
761.35590	1.4
805.34790	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	805.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.7
70.33577	0.7
83.56112	0.6
96.95992	3.7
98.95586	1.6
99.00867	0.8
99.92579	12.6
100.93357	16.3
101.72299	0.6
114.93395	0.8
115.92068	47.1
116.92847	100.0
132.92268	0.8
141.93622	0.8
142.94411	2.6
184.95433	0.9
204.15810	0.6
226.96452	2.7
240.78252	0.6
243.48056	0.6
345.36639	0.7
367.74588	0.7
393.21536	0.7
683.31927	0.8
701.33539	1.4
719.34869	2.6
733.07416	0.8
743.34204	1.3
761.35352	5.5
805.34735	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	805.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06570	0.7
59.01378	2.2
59.27088	0.6
67.46166	0.8
71.01376	2.2
76.22924	0.8
78.32639	0.9
78.98563	1.1
79.95743	1.1
80.96515	21.2
87.00856	1.0
92.51333	0.8
94.79683	0.8
94.98085	7.9
96.96000	3.4
98.95593	0.9
99.00864	1.0
99.92577	8.9
100.93358	20.9
101.02421	1.6
106.98074	1.4
115.92068	32.5
116.92850	100.0
125.02391	2.1
134.97585	1.5
136.99159	1.1
140.92932	1.1
141.01671	1.2
142.94385	2.0
146.67775	0.9
148.99124	3.6
152.98618	4.5
154.94478	1.1
164.98613	9.3
183.13898	1.9
184.91820	1.0
196.55249	0.9
206.99684	1.6
225.00749	25.4
274.23575	1.1
284.22034	0.9
287.06979	1.0
295.22702	0.8
396.43481	0.9
509.17029	4.1
540.70740	1.1
577.26990	2.1
683.33032	7.3
761.36224	2.1
805.34967	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	805.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.5
59.01387	6.4
62.25290	0.5
63.79036	0.5
64.86074	0.5
67.64388	0.5
68.99813	0.6
71.01373	9.0
72.99284	0.7
73.02952	0.8
75.00865	8.8
83.01385	0.5
85.02943	15.6
87.00867	0.9
89.02435	7.8
94.98096	2.3
95.01366	2.3
99.00874	17.1
101.02431	0.7
104.64169	0.6
109.24571	0.6
113.02442	20.0
115.00308	0.6
133.54507	0.5
157.01396	2.7
158.54097	0.5
171.10124	0.6
257.11099	0.7
298.04871	1.1
299.05643	7.4
312.00500	0.6
377.28201	0.8
393.13385	0.6
393.27811	0.8
405.28033	7.5
411.28799	0.9
425.30984	0.7
437.27020	0.9
451.28546	1.3
453.30145	17.7
461.11206	0.9
495.30881	0.7
503.12149	2.4
535.31238	0.7
539.33960	0.9
567.33063	7.2
585.34711	1.2
611.32294	9.6
761.37634	5.4
805.36646	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.1
59.01150	0.7
59.01385	11.1
63.86898	0.5
68.99816	0.9
71.01379	11.5
72.99308	0.8
73.20506	0.4
75.00864	15.0
83.01397	0.8
85.02947	20.1
87.00848	1.3
88.51252	0.6
89.02431	11.3
89.79605	0.5
95.01373	3.4
99.00253	1.0
99.00871	19.3
101.02464	1.1
103.99430	0.5
106.23631	0.5
111.00900	0.6
112.01620	0.7
113.02451	23.9
115.00363	0.8
131.03488	0.7
139.00391	0.6
157.01433	4.8
275.80646	0.6
298.04654	0.8
306.87054	0.6
363.26962	7.2
371.25989	0.7
395.26108	0.8
405.27969	3.7
409.27600	0.9
411.29092	19.0
451.28116	0.7
453.30157	13.9
493.29391	0.7
523.30695	0.7
525.32361	8.8
543.33490	1.0
567.33264	3.6
569.31360	3.0
611.32172	0.9
632.08142	0.6
761.37494	3.1
805.36646	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.366
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	19.7
59.56867	1.7
60.51430	1.6
64.68086	1.7
66.02817	2.0
68.52975	1.6
71.01385	16.8
72.99299	2.5
74.99090	1.7
75.00861	12.5
85.02959	18.7
89.02444	15.9
90.95374	1.7
95.01378	2.2
99.00858	13.9
101.02412	3.3
103.71554	2.0
112.93390	1.9
113.02426	24.0
131.53651	2.3
157.01314	2.1
159.64566	2.0
372.05286	2.2
411.39035	1.9
435.28653	2.2
453.29581	2.9
463.39166	2.3
497.29294	4.1
601.94061	2.1
615.13342	2.1
805.36456	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.2
71.01381	4.8
73.02951	1.2
78.98582	4.6
79.95758	3.2
80.96513	46.6
85.02950	2.3
87.00900	1.2
94.98081	12.4
96.95974	1.1
97.02969	1.0
100.93361	4.3
101.02447	3.2
102.88880	0.6
106.98082	2.3
110.88084	0.6
115.92040	3.6
116.92857	14.6
122.97577	2.9
123.34756	0.5
125.02442	5.3
127.03954	0.5
134.97609	4.8
136.99149	2.6
143.03464	0.5
146.97589	0.5
148.99150	10.1
152.98622	7.6
157.77654	0.5
164.98619	17.8
183.13907	5.4
188.98691	0.6
195.14001	0.8
206.99777	4.5
225.00749	45.1
241.10980	0.6
241.13658	0.6
276.35388	0.6
295.22766	0.8
366.97058	0.6
509.17270	6.2
510.81042	0.6
561.30902	0.6
577.27222	3.0
805.40814	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01368	1.8
72.92719	1.3
73.67791	1.5
96.08791	1.5
101.02420	1.3
120.60976	1.3
405.06635	1.4
472.47531	1.6
516.13373	1.4
725.02441	1.4
727.99762	1.5
805.45258	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.4753
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.50157	2.5
66.27892	2.5
71.01386	35.9
73.02952	7.3
81.73745	2.7
85.02954	20.8
89.02441	23.0
95.01352	3.6
99.04549	2.8
101.02435	16.1
108.94366	3.0
113.02454	25.9
114.50542	3.1
119.03456	3.9
134.71582	3.5
268.93619	3.1
283.02698	3.4
298.04868	5.4
299.05548	15.1
557.16064	4.0
745.46094	36.7
763.46747	26.0
805.47772	51.5
823.51526	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	805.512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.9
59.01390	0.7
60.86762	0.6
78.60700	0.7
121.10209	5.7
125.09707	7.3
140.80986	0.7
153.09320	0.8
172.69627	0.9
181.12395	1.0
185.11899	8.8
197.11908	1.1
209.11899	0.9
247.20746	1.8
269.25674	1.0
273.18607	1.1
277.21756	11.8
291.19693	100.0
295.51273	0.7
354.42599	0.8
357.41159	0.8
440.17932	1.0
449.63498	0.8
670.24988	1.0
768.24078	0.9
784.90131	0.9
805.41553	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.33
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.5
59.01383	27.4
62.43551	0.5
67.05507	1.0
71.01379	14.9
76.72167	0.5
80.78477	0.5
82.82086	0.5
83.01391	0.5
85.02934	2.2
89.02436	33.1
95.01340	0.5
99.04512	3.1
101.02444	12.1
111.04533	0.8
113.02431	8.7
119.03492	10.8
124.05289	1.1
125.02402	0.7
135.11819	5.8
139.93141	0.5
161.04561	0.9
161.09734	3.0
168.00638	0.7
179.05609	7.2
179.10786	32.1
205.08722	0.7
223.09760	43.7
237.48689	0.7
252.30902	0.5
310.05521	0.5
321.55710	0.6
359.17105	0.7
379.07806	0.5
403.16122	100.0
475.76935	0.6
807.21490	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36157	1.0
57.03435	1.9
59.01368	8.9
64.41058	1.3
71.01379	13.1
75.00864	6.8
85.02950	18.6
88.23984	1.5
89.02425	10.0
97.02939	1.7
99.00880	18.7
101.02439	1.4
112.01595	1.3
113.02441	24.8
140.89099	1.3
208.58012	1.3
407.29568	3.2
455.31500	10.6
537.32843	1.9
569.34961	1.9
613.33661	3.0
717.34821	1.5
807.38226	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.6
59.01381	10.1
60.58425	0.3
61.26315	0.3
68.99818	0.4
71.01371	9.4
72.99293	0.6
73.02944	0.3
75.00864	12.6
76.16095	0.3
83.01345	0.6
85.02943	14.2
87.00858	0.7
89.02438	12.6
92.22581	0.4
95.01373	2.8
99.00866	12.3
101.02409	1.5
111.04484	0.4
112.01645	1.7
113.01647	0.8
113.02441	20.9
115.00362	0.7
127.04025	0.5
131.03514	0.4
139.00325	0.6
139.62753	0.4
150.47882	0.4
157.01411	2.5
167.74101	0.4
169.60342	0.4
171.48074	0.4
181.37486	0.4
256.20267	0.5
374.26291	0.5
389.28384	1.8
437.30594	2.1
451.28635	1.7
455.31711	1.7
492.74911	0.5
499.30771	4.0
551.33740	1.5
561.34540	0.4
566.07544	0.5
807.38190	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11905	0.7
59.01383	9.5
59.76213	0.7
62.50416	0.8
71.01385	7.5
71.03287	0.8
75.00869	3.8
75.40594	0.7
83.01376	1.0
85.02941	11.4
87.00851	1.5
89.02426	6.2
90.00146	0.7
92.22980	0.9
95.01390	1.3
96.96004	35.7
97.06590	1.4
99.00879	17.4
99.04513	4.8
101.02466	1.3
101.27537	0.8
111.04493	1.4
113.02445	19.8
134.98402	0.8
144.03323	0.8
157.01416	1.3
184.34741	0.9
190.59441	0.8
263.43011	0.8
299.05698	1.6
310.53729	0.8
312.22379	1.1
349.13943	0.9
389.28275	1.7
407.29929	1.1
409.26831	0.8
437.30719	1.8
455.31729	4.9
499.30679	4.4
569.35229	3.2
613.33905	3.5
627.26080	0.9
657.32825	1.7
807.38208	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.1
58.66341	0.6
59.01115	0.9
59.01385	21.1
71.01375	16.7
73.02923	3.0
75.00864	4.0
77.79062	0.7
83.01356	0.9
85.02950	11.4
85.59489	0.7
87.00852	1.0
89.02434	13.9
91.36426	0.8
92.23154	1.5
95.01357	3.2
99.00871	16.5
101.02426	12.2
112.01628	1.1
113.02448	16.2
119.03457	4.2
119.42695	0.8
131.03505	0.7
135.67812	0.7
161.04442	1.0
212.70569	0.7
264.56671	1.0
377.28326	4.8
425.30573	9.7
526.03650	0.8
539.33667	4.8
583.32855	15.8
707.39746	0.9
747.42755	5.0
807.37946	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.5
57.03687	0.2
58.00579	0.3
59.01102	0.4
59.01381	8.8
62.31997	0.3
68.99810	0.5
71.01375	10.1
72.99303	0.4
73.02930	1.2
75.00864	4.7
83.01373	1.6
85.02944	16.2
87.00861	1.8
89.02438	7.5
92.23085	0.3
95.01380	2.6
96.96041	0.3
99.00875	15.9
101.02414	1.4
103.00352	0.2
112.01658	1.8
113.02438	18.9
115.00310	0.3
125.71246	0.2
129.01929	0.9
131.03503	0.9
139.00360	0.9
157.01396	2.6
157.02544	0.3
172.51947	0.2
216.47617	0.3
249.06160	0.3
323.77893	0.3
374.26193	2.4
389.28598	3.9
391.26602	0.5
399.36508	0.3
407.29901	2.1
417.27954	0.4
422.28348	1.3
425.30728	0.3
435.29184	0.3
437.30695	4.3
439.28391	0.5
453.30072	1.0
455.31729	1.8
471.43915	0.3
481.29593	1.4
499.30716	5.6
551.33777	0.4
569.34686	0.6
578.94940	0.3
581.30969	1.2
595.32684	1.3
612.29559	0.6
613.33868	1.4
657.32788	5.8
745.37817	2.1
763.39813	0.4
789.36951	0.4
807.38196	100.0
808.38098	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.6
59.01099	0.9
59.01380	15.6
65.79654	0.5
71.01376	15.0
73.02936	2.6
73.80063	0.6
75.00861	11.8
79.54935	0.5
83.01384	1.1
85.02943	16.3
85.63026	0.5
87.00868	2.6
87.22658	0.7
88.36363	0.5
89.02432	12.3
89.75321	0.6
92.22492	1.0
95.01366	3.9
99.00871	14.1
101.02439	13.4
113.02448	18.6
114.17554	0.6
119.03449	5.3
124.26186	0.6
139.00328	1.2
143.03490	0.7
157.01395	2.8
183.75064	0.7
203.22902	0.6
290.30984	0.7
469.33228	1.3
807.41827	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	809.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26133	0.3
59.01319	0.8
59.01585	0.4
65.31898	0.3
71.01320	0.3
103.41763	0.3
112.59941	0.3
113.02322	0.3
116.92783	0.7
121.31365	0.3
121.64799	0.3
147.04407	2.0
165.01936	3.2
178.99860	0.4
255.02960	7.2
256.03644	0.4
269.04593	0.8
271.06116	1.7
283.02490	80.0
284.03409	2.6
297.03854	0.5
298.04852	100.0
299.05634	6.9
311.05746	0.4
339.05148	0.5
543.38666	0.4
617.15186	45.9
749.45599	0.5
765.20398	42.2
809.43317	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97461	0.4
58.11469	0.5
59.01374	0.7
60.28411	0.4
62.86767	0.4
65.44312	0.4
71.01385	0.5
88.50481	0.5
98.78498	0.5
116.92820	1.1
117.50389	0.5
147.04503	2.5
165.01913	3.4
242.77460	0.5
255.02902	5.4
257.10312	0.5
268.16016	0.5
269.04523	2.1
271.06134	0.9
283.02493	77.4
284.03223	3.2
294.83408	0.5
298.04843	100.0
299.05618	6.5
353.06537	0.7
400.91022	0.5
617.15186	43.1
765.20477	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	809.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	9.6
71.01381	2.5
72.01067	1.6
73.02958	1.7
85.02927	2.9
89.02438	8.5
101.02444	6.4
113.02493	2.7
165.01909	16.6
255.03093	1.7
271.06079	19.8
283.02466	10.9
284.03342	8.0
298.04849	30.4
299.02176	3.2
299.05624	100.0
435.17075	1.8
463.89749	1.7
503.11981	22.4
517.13428	6.9
532.86841	1.8
561.16125	18.2
613.22754	1.8
692.93201	1.7
809.42896	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	809.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.0
62.40893	0.7
62.70359	0.7
71.81697	0.7
83.89802	0.9
120.73583	0.9
121.03018	0.9
134.03741	63.5
136.01657	1.8
138.47058	0.8
146.03741	3.6
147.04532	1.2
149.06076	99.4
161.06041	3.1
164.04802	2.0
179.07137	17.9
189.66960	0.8
192.04353	8.8
193.05038	3.6
208.07278	1.1
267.08755	100.0
309.09811	1.4
455.15604	3.9
467.16885	0.9
497.16711	12.0
765.25653	6.6
832.54852	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.4
59.91705	0.4
76.42833	0.5
85.02966	0.6
88.29021	0.5
88.98798	5.7
89.70553	0.5
93.03481	0.6
105.00684	0.6
113.02450	0.7
116.92850	2.0
127.01559	0.8
127.97766	0.5
157.12399	0.7
165.01904	17.2
240.04338	2.9
243.06755	0.7
255.06685	0.8
269.72473	0.5
269.77515	0.6
271.06146	19.7
283.02536	6.5
284.03290	8.3
297.04330	1.8
298.04865	23.0
299.05624	100.0
341.06793	1.3
342.00015	0.6
461.10898	12.0
481.66107	0.6
482.43372	0.7
587.21381	52.4
687.60297	0.6
809.44208	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.7
58.67398	0.7
59.01386	9.0
62.24459	0.6
68.33500	0.6
71.01379	3.9
73.02959	1.2
85.02930	1.7
89.02442	4.5
91.71848	0.7
101.02450	3.7
113.02412	1.7
121.02960	1.5
122.03728	3.5
137.02470	2.6
141.25294	0.7
149.02441	7.2
150.03218	63.5
151.04045	3.9
164.04761	5.3
165.05565	100.0
166.02722	2.8
179.07195	1.5
180.04242	8.3
181.05025	8.0
193.05125	1.0
195.06633	27.5
205.05106	1.4
211.16599	0.7
220.07373	1.5
417.15610	3.0
481.89627	0.8
505.48145	0.9
535.15967	1.3
565.21417	5.5
595.21857	0.9
613.22980	9.8
667.23846	0.9
723.07709	0.9
743.26770	1.2
749.44171	1.2
761.28546	5.5
791.29053	4.5
809.30225	28.4
809.44727	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	809.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.29499	1.0
61.34262	1.0
71.01378	26.1
73.02952	8.3
75.00866	9.5
83.01411	1.8
85.02941	20.8
87.00847	1.3
89.02425	14.9
95.01369	1.8
99.00867	17.3
101.02431	16.5
112.01637	1.3
113.02445	31.2
119.03465	4.4
134.03665	1.4
143.03453	1.3
144.82567	1.1
157.01500	1.5
161.04535	7.5
163.11285	5.7
165.05560	1.2
179.05635	1.8
182.70432	1.4
189.12865	8.4
193.04990	4.9
207.13898	7.5
208.11284	1.2
225.14886	6.2
248.64900	1.5
249.13326	2.3
291.14499	6.9
355.10358	2.6
361.25439	2.4
369.19299	7.9
379.26437	6.7
387.20386	6.3
409.27451	2.2
427.28510	10.3
429.21378	73.1
473.20047	1.4
522.70782	1.3
541.31427	2.6
585.30811	1.5
618.49658	1.4
765.27856	1.4
809.36151	84.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	18.3
81.24805	0.5
86.57249	0.5
116.92905	0.8
121.03583	0.6
167.66818	0.5
175.03947	2.3
188.18723	0.5
225.64308	0.5
227.10782	100.0
283.02469	0.8
298.04617	0.9
301.11111	1.1
301.14484	29.0
403.52008	0.5
485.70258	0.5
493.26263	0.7
540.76691	0.6
543.25415	0.6
675.30042	18.6
749.33698	13.9
809.44147	2.2
822.47107	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.1
59.01381	9.7
68.91605	0.7
71.01378	9.2
71.11402	0.7
73.02918	1.0
75.00874	7.3
75.13254	1.0
83.01401	1.3
85.02939	14.2
89.02464	8.0
89.08228	0.7
95.01384	1.4
96.96002	8.5
98.95575	3.6
99.00877	11.6
99.92570	1.9
101.02407	1.2
111.00841	1.0
112.01640	1.5
113.02446	30.9
115.92080	3.4
116.92834	4.7
157.01431	1.3
160.01598	1.1
165.05519	0.9
175.03963	4.9
193.05002	1.6
275.35165	0.9
365.28500	2.0
387.25522	1.6
413.30701	1.7
545.27759	1.0
561.23395	8.3
571.33112	4.5
809.10870	2.5
809.36609	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	809.397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01103	1.0
59.01383	18.9
59.40239	0.5
68.99830	0.8
71.01381	15.7
72.20284	0.5
73.02945	1.4
74.05344	0.5
75.00869	12.1
83.01364	1.3
84.82879	0.6
85.02946	15.3
87.00856	2.7
89.02444	14.7
92.22545	0.8
95.01368	4.2
95.76611	0.6
99.00883	10.2
101.02437	13.9
112.01688	0.9
113.02441	18.9
119.03497	5.6
139.00348	1.2
157.01439	0.8
161.04541	0.8
196.45027	0.6
298.04861	1.1
299.05585	3.7
379.30194	1.2
423.29117	2.5
471.31287	2.6
502.00467	0.7
503.12109	0.8
585.34875	0.8
809.39832	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	809.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.7
68.39230	1.9
71.01377	8.1
85.02956	9.5
89.02421	4.9
90.92339	2.0
99.00896	8.6
113.02440	7.6
121.44061	2.0
129.24294	2.0
133.06845	1.7
138.50282	1.7
169.32303	2.3
280.38559	2.2
281.77106	2.2
330.94049	2.2
411.16840	2.3
423.29062	3.6
471.31229	14.2
585.34137	8.4
629.33368	12.0
809.39752	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	809.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	0.6
59.01382	8.5
61.98843	0.9
67.17003	0.3
68.99815	0.4
71.01376	10.6
72.99290	0.8
73.02930	0.9
75.00872	3.6
83.01395	0.6
84.53092	0.4
85.02944	11.5
85.06573	0.8
87.00867	1.9
89.02442	9.9
92.22536	0.4
95.01382	3.7
99.00875	13.8
99.07869	0.5
101.02419	2.5
107.01823	0.4
111.04521	5.4
112.01680	0.5
113.02448	16.0
115.00352	0.8
116.01183	0.4
119.03487	0.9
123.17098	0.5
129.05576	32.3
131.03525	0.6
139.00389	0.5
157.01390	2.4
179.05547	0.5
238.61281	0.4
325.25491	0.4
371.26102	0.7
391.29984	1.8
435.29126	0.5
439.32306	3.9
452.48700	0.5
457.33325	0.9
483.31378	3.3
501.17719	6.6
543.18652	2.9
553.35474	1.6
565.31647	0.6
571.53400	0.5
582.19281	0.5
590.50482	0.5
597.34235	3.4
615.35516	1.7
641.33624	2.5
659.34424	1.0
729.37903	0.7
747.39386	0.7
809.39740	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	809.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	49.8
60.04404	2.4
71.01372	26.5
73.02946	4.7
73.60831	2.3
75.00893	4.5
85.02929	16.7
87.04577	2.4
87.13722	2.1
89.02444	25.3
92.23039	4.0
95.01395	2.8
99.00883	9.8
101.02409	18.6
107.78991	2.3
113.02470	20.0
119.03497	3.9
151.72739	2.4
161.04442	2.7
299.42322	2.4
471.31418	9.7
553.31622	4.9
585.34412	5.1
629.32928	5.5
649.40222	2.7
650.38904	2.8
651.40967	3.2
749.44031	12.8
765.35699	3.3
767.45428	3.7
809.39661	100.0
839.46344	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	809.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.1
58.00585	1.0
59.01383	76.5
59.44358	0.7
67.83534	0.9
71.01381	42.1
71.78495	1.0
72.99276	1.1
83.01366	1.3
85.02950	7.4
87.00843	1.5
89.02438	72.5
95.01360	3.6
101.02443	21.9
113.02438	21.3
119.03487	24.4
131.03458	1.5
143.03531	1.6
161.04550	4.7
162.02866	1.0
163.26117	0.8
165.05508	1.2
179.05608	13.2
236.92235	0.9
238.07326	1.0
302.88712	0.9
328.58389	1.0
425.56067	1.2
497.07434	0.9
535.84296	1.0
594.07275	1.1
629.36945	6.4
809.43372	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	809.432
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.5
59.01379	16.9
67.69447	2.7
69.16947	2.7
71.01385	17.3
75.00869	18.5
83.23181	3.0
85.02940	18.8
89.02444	4.1
93.94893	2.6
94.74513	2.8
97.77621	2.5
99.00871	5.3
101.02408	3.7
113.02430	27.8
125.02383	3.6
155.74294	3.1
173.04480	3.1
185.53740	3.2
250.70122	2.8
332.41846	3.1
370.41614	3.1
452.59015	3.0
460.05325	3.1
765.39752	5.4
809.43256	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.434
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62803	1.5
59.01107	2.2
59.01383	47.4
59.90644	1.3
60.32280	1.5
65.65939	1.6
66.94966	1.6
70.99171	1.5
71.01379	22.0
71.44493	1.7
72.99306	1.7
73.02940	3.6
78.57217	1.9
79.66367	1.6
83.01366	1.7
83.93946	1.8
85.02950	9.7
87.00821	1.6
89.02429	38.0
97.15388	1.7
101.02442	24.5
113.02438	15.4
119.03497	17.9
143.03505	1.9
165.01884	7.5
219.64914	2.0
271.06180	8.4
283.02496	4.2
297.25766	1.8
298.04901	15.5
299.05676	46.2
346.62692	1.9
361.89249	2.1
407.01538	2.2
449.30637	2.9
503.12207	9.8
506.35733	2.0
524.29431	2.3
561.15942	9.5
628.36871	2.4
629.37030	8.5
752.13629	2.2
809.43250	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.7
58.97151	0.4
59.01104	0.7
59.01382	15.0
61.82240	0.5
66.87309	0.5
71.01375	12.0
73.02938	1.3
75.00864	8.5
85.02946	7.5
87.00854	0.7
89.02441	11.3
95.01382	3.1
99.00869	9.6
101.02438	8.4
112.01621	0.6
113.02445	10.5
119.03489	3.4
123.46909	0.6
144.14194	0.6
145.88988	0.6
157.01357	1.0
161.04593	0.6
165.05576	0.6
166.40608	0.6
469.33133	4.3
471.35089	5.7
493.80969	0.6
513.35913	0.8
539.37671	7.1
553.35333	2.7
585.37994	12.1
600.09900	0.7
603.39227	2.8
629.37128	9.8
732.76740	0.6
735.51630	0.7
747.42981	0.7
765.39978	0.7
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	809.4338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.1
59.01381	7.1
71.01376	12.6
72.99302	2.0
73.02937	3.1
74.57578	0.3
75.00867	20.3
83.01383	0.8
83.28036	0.4
85.02945	17.0
87.00880	4.5
89.02429	3.7
95.01348	2.3
99.00877	7.4
101.02436	4.9
111.00878	0.6
113.02442	28.4
115.00389	1.6
116.92869	0.7
117.01908	2.0
120.69324	0.4
129.01967	0.7
131.03542	3.2
157.01451	0.6
161.04541	0.7
173.04567	4.3
175.02451	1.8
175.03899	0.6
191.05611	1.0
202.10234	0.4
220.86021	0.4
331.41547	0.5
375.40585	0.5
471.34534	0.9
809.43378	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.7
59.01384	7.1
69.03435	0.3
69.67308	0.3
71.01011	0.6
71.01377	11.9
72.17133	0.3
72.99284	1.9
73.02933	1.8
74.34492	0.3
75.00867	16.8
75.63171	0.3
83.01390	1.2
85.02944	19.2
87.00860	3.7
89.02437	3.0
95.01359	1.7
97.02926	0.8
98.51382	0.3
99.00876	6.1
101.02437	4.9
103.00363	0.5
111.00862	1.2
113.02442	23.4
115.00321	1.9
116.01087	0.5
117.01983	0.7
119.03474	0.5
123.04402	0.3
125.02366	0.5
129.01865	0.6
131.03499	3.1
149.04573	0.4
157.01440	0.5
159.02831	0.3
169.42366	0.4
173.04547	3.4
175.02484	1.6
191.05641	0.7
193.03548	0.6
235.04547	0.6
471.34750	0.6
572.26666	0.4
689.14349	0.3
706.03583	0.4
809.43372	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	809.4346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41494	1.4
59.01385	12.7
71.01384	12.8
72.99297	11.9
73.02940	2.6
75.00881	12.7
85.02927	16.4
87.00858	2.6
89.02441	8.8
95.01427	1.8
96.95990	2.4
99.00861	9.4
101.02400	4.1
103.00356	7.3
113.01758	2.5
113.02444	38.7
116.92850	18.3
116.97225	3.9
117.01891	3.5
135.01825	1.5
157.01462	2.4
163.02415	1.7
175.02521	6.0
175.04004	2.0
191.00667	1.8
193.03575	18.3
310.90976	2.0
351.05679	19.8
480.51593	2.3
707.86432	2.2
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	809.4552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.5
57.23761	0.5
59.01383	8.7
66.61337	0.5
71.01363	6.5
73.02927	0.8
80.49017	0.6
80.96507	1.0
83.01376	0.6
83.05021	6.1
84.76349	0.6
85.02944	1.5
87.00865	1.1
89.01934	0.9
89.02438	12.0
97.02941	0.9
101.02440	9.9
109.06582	0.8
111.08149	51.7
113.02435	3.0
116.92825	2.8
118.33883	0.6
119.03467	5.5
125.02459	1.5
134.97478	0.6
161.04555	1.0
173.08183	36.1
201.34148	0.6
217.78310	0.6
221.06747	0.8
225.00816	1.5
235.08237	1.3
255.23309	35.3
295.22833	0.9
361.74503	0.6
458.72314	0.7
782.33557	0.7
809.45435	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4696
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.5
58.00597	0.7
59.01380	95.3
71.01374	35.3
73.02940	14.6
74.33833	0.7
77.36574	0.8
78.37827	0.7
83.01398	4.1
85.02939	13.0
87.00872	1.1
89.02435	35.5
92.86023	0.6
95.01382	5.1
99.00867	3.0
101.02437	26.6
113.01659	1.4
113.02439	33.1
119.03479	12.0
125.02445	1.6
131.03468	1.4
132.77142	0.9
143.03479	0.8
150.03253	2.0
151.04007	1.6
161.04581	5.0
165.05608	4.4
179.05699	1.6
270.12985	0.9
275.11566	1.0
387.14746	1.0
421.15344	1.4
569.32233	0.9
593.63806	1.0
749.44879	49.6
749.58051	1.7
767.45923	18.4
783.81653	1.0
809.47321	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4702
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.5
58.42258	1.0
59.01383	36.7
61.98829	1.6
62.25805	0.9
71.01375	19.1
71.73208	0.9
73.02936	10.3
75.11491	1.1
83.01399	4.9
85.02946	11.4
89.02429	7.3
99.00849	1.7
101.02444	22.3
113.02434	15.3
119.03490	4.4
127.01521	1.1
141.48601	1.2
159.69049	1.2
161.04523	1.3
193.05063	1.1
274.59598	1.3
283.02493	1.2
298.04770	2.1
455.35461	8.8
515.35724	1.2
545.34796	6.3
617.40948	2.7
749.44904	100.0
809.19244	1.7
809.43555	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	809.4699
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	3.2
59.01383	30.6
69.03445	1.4
71.01377	33.6
73.02945	14.4
78.90719	0.7
82.91971	0.7
83.01382	6.9
85.02949	23.0
87.00864	1.6
87.04501	6.1
89.02452	8.1
95.01377	3.7
97.02950	1.3
99.00868	6.2
101.02445	27.8
109.83248	0.8
111.00889	1.2
113.02442	20.7
116.68797	0.7
119.03465	1.8
125.02431	3.1
131.03419	1.1
143.03452	0.7
149.73776	0.8
152.59351	0.7
159.02927	1.7
161.04590	5.1
175.90224	0.8
210.40657	0.8
249.22980	0.7
270.93417	0.7
295.95819	0.8
416.56912	0.9
448.77289	0.9
473.36145	2.7
536.87616	0.8
749.44751	26.4
767.45990	100.0
809.46973	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	809.4705
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14643	1.4
59.01381	28.5
59.50730	1.2
61.52527	1.8
66.88461	1.6
71.01383	31.1
73.02940	17.3
81.74168	1.5
83.01382	9.3
85.02950	19.6
87.00871	2.2
87.04510	9.3
89.02454	8.0
92.41741	1.4
95.01402	3.0
97.02938	2.6
99.00878	9.0
101.02438	29.9
111.00874	3.3
113.02445	24.0
114.03200	2.0
115.70053	1.9
119.03488	3.0
125.02447	2.3
127.54079	1.5
143.03548	2.0
161.04655	5.7
296.63156	1.6
749.44983	38.0
767.46027	100.0
809.47046	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	809.4704
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36358	1.1
59.01381	43.6
69.01758	1.2
71.01375	20.4
73.02936	1.5
83.01376	2.2
85.02945	7.2
88.98822	2.8
89.02440	31.5
90.57023	1.3
101.02429	16.6
103.50612	1.2
113.02455	12.8
119.03480	11.9
173.04549	4.7
183.15230	1.3
254.03586	1.2
260.88684	1.3
319.85229	1.4
332.83151	1.2
621.35327	2.1
622.54724	1.5
749.44946	100.0
765.39990	2.1
809.42780	2.5
840.09137	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	809.5424
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71546	0.4
58.76813	0.4
59.01369	1.1
59.10682	0.4
62.10069	0.4
63.39605	0.4
63.72292	0.4
63.92197	0.4
66.14970	0.5
70.59534	0.4
71.01353	0.6
77.31715	0.4
80.96517	0.5
98.29794	0.4
116.92818	3.4
129.17848	0.5
134.89474	0.7
165.06171	0.5
171.10255	27.1
179.26170	0.5
195.06877	0.5
225.00845	0.6
233.22830	0.7
250.63776	0.5
253.09299	2.2
277.21741	61.4
295.22797	100.0
299.04291	3.8
353.76022	0.5
453.95386	0.5
513.30414	2.0
809.36877	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	809.5429
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60513	0.2
59.01377	0.5
59.57107	0.2
62.45488	0.2
69.47556	0.2
101.02445	0.2
113.09719	1.3
127.08715	0.2
134.89476	0.3
177.12781	0.3
179.14377	1.2
181.12350	0.3
195.13919	19.0
225.00777	0.2
233.22784	0.3
237.82878	0.3
257.99133	0.2
277.21744	23.1
295.22809	100.0
308.91840	0.2
540.38593	0.3
736.29639	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.5427
Annotation	Unknow
Peak:m/z	Relative Intensity
60.52227	0.5
63.33664	0.5
75.66283	0.5
92.23093	0.7
93.01130	0.5
102.87469	0.6
116.92854	3.1
125.09738	2.2
125.72308	0.5
132.36626	0.6
179.55144	0.5
185.11844	7.1
197.11844	1.0
275.20099	0.8
279.23245	6.4
293.21246	100.0
351.64380	0.6
541.07733	0.6
737.82092	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64991	0.9
59.01383	1.9
60.69184	0.9
60.93804	1.0
64.83020	0.9
104.07661	1.0
121.02943	4.0
126.95097	1.0
152.50021	1.2
153.95554	1.2
154.79996	1.0
165.01904	25.2
193.01479	5.2
257.68033	1.1
271.02487	5.3
285.03949	1.4
287.05496	1.9
299.01971	34.6
299.05313	1.9
300.02771	5.9
314.04361	100.0
315.05139	69.6
519.11499	85.6
723.17804	17.3
811.41571	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	811.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	1.8
63.24705	0.2
63.35115	0.2
65.04362	0.2
85.02946	0.3
89.02454	1.1
96.17054	0.2
101.02427	0.8
113.02430	0.5
119.03500	0.2
119.05028	2.3
145.02948	3.9
151.00363	1.4
163.03989	1.8
178.99892	1.0
188.94620	0.2
197.06421	0.3
227.03520	6.0
229.05165	0.4
255.03009	17.3
256.03781	4.2
257.04620	1.3
283.02588	1.9
284.03284	100.0
285.04074	8.3
298.04874	1.3
309.91879	0.3
414.99564	0.3
465.04489	0.3
603.13605	5.8
617.15204	0.3
621.14758	4.5
667.39539	0.4
767.18365	55.8
811.21008	1.1
811.43872	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	811.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.5
77.52661	0.1
89.02438	0.8
96.28472	0.2
101.02441	0.2
107.01380	0.1
112.91368	0.1
113.02454	0.3
117.03425	0.7
119.05009	2.0
125.02444	0.3
145.02951	4.9
151.00352	1.6
163.04008	1.9
165.01917	0.2
171.04575	0.2
178.99879	1.0
213.05580	0.2
216.68788	0.2
227.03499	5.2
229.05144	0.2
237.01274	0.2
255.02997	17.3
256.03781	3.1
257.04587	0.9
283.02591	1.2
284.03290	100.0
285.04062	8.6
297.04019	0.2
299.02094	0.2
299.05539	0.3
314.04266	1.1
315.05154	0.8
325.03485	0.4
327.05212	0.2
339.04929	0.2
384.18985	0.2
489.10870	0.2
519.11469	1.1
540.93097	0.2
603.13519	4.7
621.14655	3.3
658.88458	0.2
723.17596	0.2
767.18359	46.4
811.43127	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	811.209
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79606	0.1
59.01384	0.7
65.00317	0.1
69.25852	0.1
71.01382	0.3
72.99305	0.2
85.02940	0.3
87.99128	0.2
93.03503	0.2
99.04489	0.2
101.02393	0.2
112.30395	0.2
113.02435	0.3
117.03462	0.3
132.02168	0.6
132.71663	0.2
133.02982	0.2
134.03737	4.8
135.04510	1.2
149.06096	0.7
159.68275	0.2
160.01646	4.8
161.02461	1.6
165.01921	3.3
167.03601	0.2
175.03995	5.9
178.02791	0.3
179.03526	0.8
193.05075	2.8
227.03604	0.3
240.04265	0.3
255.03029	5.9
256.03702	0.7
264.17032	0.2
269.04651	1.4
271.06149	1.7
274.56998	0.2
283.02499	73.1
284.03305	2.6
297.03995	0.3
298.04849	100.0
299.05615	8.8
308.11194	0.2
311.05801	0.3
312.06149	0.2
313.07208	0.7
325.07574	0.2
339.05133	0.2
341.06876	0.2
353.06348	0.3
617.15179	25.1
635.16229	12.2
661.14172	0.3
769.20197	0.3
778.69440	0.2
811.21002	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	811.2085
Annotation	Malvidin 3- (6''-p-coumarylglucoside) -5- (2'''-acetylxyloside)
Peak:m/z	Relative Intensity
59.01373	0.3
63.94386	0.2
117.03474	0.5
132.02174	0.3
134.03734	5.5
135.04504	1.8
149.06068	0.9
160.01630	5.4
161.02475	1.9
165.01917	3.7
175.04001	5.6
176.21503	0.3
178.02776	0.3
179.03484	1.2
179.62379	0.2
193.05083	2.8
200.07359	0.3
227.03831	0.3
230.31001	0.2
240.04376	0.4
255.02997	5.6
256.03818	0.4
269.04572	1.1
270.05621	0.3
271.06158	1.5
280.82526	0.3
283.02499	77.1
284.03284	3.1
297.04095	1.1
298.04843	100.0
299.05640	10.4
313.07190	0.9
323.98932	0.3
339.05106	0.4
353.06708	0.3
366.30240	0.3
376.61249	0.3
575.14124	1.1
583.48285	0.3
617.15192	23.5
635.16205	12.0
651.30090	0.3
769.19696	1.4
811.20984	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	811.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15841	0.1
59.01396	1.4
71.01382	0.3
71.79848	0.1
78.30507	0.2
85.02953	0.2
87.00906	0.2
87.42825	0.2
89.02437	0.7
92.22573	0.2
93.03432	0.2
101.02450	0.4
113.02427	0.2
132.02185	1.0
133.02914	0.6
134.03734	4.3
135.04544	0.7
149.06079	0.6
156.65541	0.2
160.01654	9.3
161.02420	2.7
165.01920	3.4
175.04010	11.0
178.02715	0.2
179.03481	0.9
193.01440	0.2
193.05045	1.8
200.26347	0.2
227.03358	0.3
255.03003	6.1
256.03888	0.3
259.80280	0.2
269.04672	1.7
269.07288	0.2
270.05322	0.2
271.06244	2.2
283.02490	76.5
284.03311	4.5
297.04059	0.6
298.04840	100.0
299.05621	9.2
313.07138	0.9
324.50339	0.2
339.05063	0.2
341.06812	0.3
353.06726	0.4
617.15216	22.6
635.16266	15.3
667.39093	0.2
811.20966	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	811.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.3
58.80475	0.2
59.01377	2.0
65.00334	0.3
70.45652	0.2
71.01386	1.4
87.70702	0.2
89.02459	1.9
93.03448	1.5
99.04514	0.3
101.02445	1.4
113.02443	1.1
117.03449	1.5
119.03480	0.3
119.05032	2.4
121.02876	0.3
125.02482	0.3
145.02951	25.9
151.00334	0.5
161.06075	1.6
163.04015	3.5
165.01929	26.7
178.02768	0.9
182.85350	0.3
183.02954	0.3
206.02272	0.5
212.04805	0.5
213.05496	0.3
227.03624	0.3
228.04285	0.3
240.04282	4.9
242.63945	0.2
243.06667	1.5
255.02968	2.3
255.06660	2.0
256.03790	1.1
265.07092	0.5
271.06140	29.7
283.02490	16.8
284.03284	23.4
285.03998	0.5
286.00134	0.2
297.04141	0.4
298.04849	31.1
299.05634	99.2
307.08261	4.6
341.06665	0.4
444.27084	0.3
503.05862	0.3
503.11993	21.2
607.14667	100.0
649.15668	1.3
667.39819	1.6
767.18542	0.4
811.21124	4.4
811.44092	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	811.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.6
59.01377	1.7
60.02834	0.3
71.81622	0.3
85.02934	0.5
87.12099	0.4
92.76725	0.4
113.02440	0.6
134.03726	4.0
134.26807	0.4
135.04543	1.5
160.01671	3.3
161.02370	0.8
165.01944	2.4
169.86624	0.4
175.03978	4.5
179.03517	0.5
183.13893	0.5
185.68306	0.4
193.04997	2.8
229.61224	0.4
255.02994	6.7
256.03876	0.6
269.04642	0.9
271.06104	1.6
283.02496	68.2
284.03278	3.5
298.04843	100.0
299.05624	10.8
311.05579	0.5
352.45261	0.4
353.06686	0.7
575.14087	2.1
593.14966	0.7
617.15192	14.4
635.16193	9.1
713.47162	0.5
767.40686	0.9
769.19751	2.4
811.20984	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	811.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.8
61.33838	0.6
64.05733	0.6
71.01376	4.1
75.00858	1.6
81.51369	0.7
85.02930	1.7
89.02440	3.1
97.06588	0.7
99.00897	1.6
101.02449	1.7
110.64068	0.7
111.89223	0.7
113.02434	4.8
123.08169	0.7
125.09705	55.7
143.10701	1.2
150.83273	0.9
165.01927	9.9
169.08690	2.9
175.03992	0.9
187.09760	100.0
255.02849	0.9
255.06807	1.1
271.06064	9.6
283.02454	4.5
284.03195	3.9
298.04849	21.1
299.05624	93.9
403.68759	1.4
461.10953	72.3
499.22000	1.6
810.92603	4.4
811.41022	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	811.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57281	0.4
58.02983	4.3
58.85320	0.4
70.02975	6.7
72.04551	1.0
74.02467	30.2
98.02474	6.3
108.60056	0.4
116.03519	16.3
116.05014	7.0
130.06596	0.6
142.06619	0.5
152.23547	0.4
159.09305	2.5
183.09242	0.8
186.05713	0.6
193.22641	0.4
201.10379	6.4
203.08270	59.0
215.29350	0.4
245.09311	100.0
263.35321	0.4
289.08392	4.9
327.95175	0.4
356.99466	0.4
399.93802	0.4
521.22308	0.5
523.16284	0.5
618.09192	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
63.33915	0.5
64.96049	0.5
69.42820	0.6
77.02465	0.6
80.24717	0.7
99.00862	0.7
99.04547	0.9
99.92577	9.0
100.93343	3.9
103.78942	0.6
114.94938	1.4
115.92056	5.2
116.92853	100.0
156.95920	1.0
158.93846	1.3
182.97530	1.4
183.94678	1.4
217.62877	0.8
218.39946	0.8
226.96500	5.3
265.64688	0.7
277.21918	0.7
649.31177	0.9
702.28485	0.7
793.35498	1.0
811.35883	43.9
811.48700	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	811.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75032	0.3
57.72674	0.3
59.01373	3.4
71.01373	2.7
73.02941	11.8
73.78703	0.3
75.00866	2.0
77.08685	0.4
85.02943	0.5
89.02454	2.6
92.36946	0.3
97.90649	0.3
99.00884	2.1
99.92586	2.7
101.02445	1.6
113.02409	0.7
115.03977	0.7
116.03521	1.4
116.92850	100.0
117.01929	28.2
117.05546	1.6
119.03511	0.6
126.69669	0.3
134.90523	0.3
273.57059	0.4
283.02521	1.6
298.04904	1.7
693.42285	7.3
749.27643	0.4
811.44714	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	58.7
57.36166	1.2
59.01381	65.1
62.89096	1.5
71.01381	13.8
85.02908	2.3
89.02432	24.6
89.58815	1.5
91.61533	1.5
95.26590	1.4
99.04511	86.9
101.02434	27.8
113.02435	11.4
119.03532	8.2
125.02431	31.6
143.03481	7.8
160.01634	2.3
165.01913	6.5
175.03967	3.1
193.01440	2.3
221.48088	1.5
255.02989	2.0
267.99844	1.5
269.04510	2.0
283.02591	11.2
284.03146	14.1
298.04773	15.1
299.01981	9.9
303.14520	16.4
314.04391	28.4
315.05145	19.8
343.17664	6.2
351.23294	1.6
405.17697	100.0
519.11584	23.6
617.15210	1.9
723.18060	3.1
736.69275	1.7
767.17719	3.2
811.19775	7.0
811.44666	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	811.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	68.6
59.01382	54.9
60.44987	0.3
68.99735	0.2
70.06174	0.3
71.01379	6.1
73.02944	1.3
81.03468	0.6
83.01374	0.3
83.75299	0.3
85.02959	0.3
89.02435	16.1
89.24493	0.2
89.36676	0.2
95.62309	0.2
99.04513	81.1
101.02438	20.2
109.07759	0.2
113.02444	7.3
118.39590	0.4
119.03481	6.7
125.02436	31.9
131.03476	0.5
141.05504	0.4
143.03503	4.9
149.04517	1.1
160.61322	0.3
161.04570	2.1
170.83130	0.4
179.05602	1.9
221.06606	0.6
261.13348	1.2
279.38226	0.3
303.14520	14.0
312.25586	0.3
343.17569	1.7
361.18637	0.6
402.64502	0.3
405.17691	100.0
611.82172	0.3
787.46350	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19760	1.2
59.01383	68.5
60.99315	11.3
71.01373	16.6
71.01707	1.9
73.02945	3.0
73.79600	1.0
77.34124	1.3
83.01373	1.8
85.02948	7.2
87.81308	1.1
88.98799	100.0
89.02435	9.0
100.34538	1.3
101.02450	15.5
113.02412	12.9
119.03502	1.6
175.86026	1.4
260.00943	1.3
277.37335	1.2
385.24139	1.3
504.95432	1.3
530.38861	1.3
562.82019	1.5
617.40521	5.0
635.41724	2.1
677.42712	43.9
691.40662	32.3
709.41925	2.9
751.43011	27.3
767.41406	1.6
811.44531	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	811.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85638	1.5
58.96944	1.5
59.01383	100.0
71.01375	22.9
72.99297	1.7
73.02938	9.8
83.01376	2.4
85.02946	11.8
86.09756	1.6
87.00867	2.1
89.02422	13.8
95.01402	1.8
101.02451	19.2
102.61105	1.7
113.02421	21.5
119.03489	6.6
161.04556	2.8
185.97156	1.6
203.70531	1.6
251.07736	2.6
307.68832	1.8
412.26086	1.8
691.40814	38.7
707.40314	10.3
709.42035	7.5
725.40942	2.4
751.42749	35.3
767.42480	23.2
773.40881	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	811.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37943	0.7
57.03428	0.7
59.01101	1.4
59.01380	29.0
71.01382	17.3
75.00870	6.0
79.96406	0.7
85.02946	11.0
89.02440	21.1
95.01369	1.8
96.02545	0.9
99.00859	9.8
101.02455	7.7
113.02444	14.7
114.55536	0.7
119.03484	4.5
130.08730	1.2
134.03674	0.9
155.24879	0.9
179.05666	1.5
272.56088	0.9
295.40997	0.8
299.01910	3.9
299.05548	6.5
314.04291	9.7
315.05203	8.4
395.94635	0.9
418.65125	0.9
455.32007	7.2
471.31055	1.4
501.32315	1.2
503.12097	3.2
503.33868	9.4
519.11389	6.6
585.34534	1.8
617.37183	1.8
661.35968	5.0
811.42188	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	14.8
57.26304	1.2
59.01102	1.9
59.01378	36.9
62.45648	1.2
70.00678	1.2
71.01009	1.9
71.01377	28.2
73.02942	8.2
75.30572	1.4
79.67357	1.5
83.01390	3.0
85.02928	14.4
89.02431	28.4
93.07097	1.2
95.01350	1.6
97.02990	1.4
97.12045	1.3
99.00879	2.5
99.04497	9.5
101.02435	33.6
113.02437	26.2
115.27711	1.4
119.03484	9.5
125.02425	6.7
143.03375	1.8
145.02951	17.1
151.00333	2.9
161.04518	5.5
163.04051	1.8
165.01898	16.4
179.05666	1.4
213.18558	1.5
227.03549	3.0
240.04309	3.2
241.01453	1.6
242.02141	7.6
245.00775	2.4
255.03011	7.2
269.04459	1.6
270.01727	20.0
271.02469	10.9
271.06122	20.4
279.95920	1.5
283.02530	24.0
284.03171	19.2
285.04208	1.9
298.01447	5.4
298.04794	37.7
299.01947	20.9
299.05579	73.0
300.02628	5.5
301.03552	13.2
307.08444	1.9
311.02057	1.6
313.03806	1.8
343.28625	1.5
348.59625	1.6
414.10052	1.6
417.06104	6.8
446.06461	1.8
474.05780	1.6
475.06686	6.6
503.12051	20.8
505.34036	3.0
536.43835	1.5
607.14642	53.3
649.38824	5.8
667.39258	36.8
709.40198	7.4
765.44214	11.3
767.18652	2.4
811.17987	62.9
811.43463	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	12.9
58.76635	0.9
59.01384	46.6
59.01683	1.6
67.53647	0.9
71.01010	1.3
71.01376	26.2
72.29422	0.9
72.99313	1.0
73.02946	1.9
82.90896	0.9
83.01395	1.3
83.89909	0.9
85.02940	6.9
89.02435	39.3
89.02958	1.9
95.01376	1.6
99.00829	1.1
99.04499	9.9
101.02438	27.5
113.02443	21.9
114.50276	0.9
119.03488	13.2
125.02468	6.5
161.04539	2.2
179.05511	1.0
194.86470	0.9
234.57478	1.0
283.02475	6.4
284.06143	1.0
294.26202	1.0
298.04807	7.3
299.05713	1.8
312.45834	1.2
387.70349	1.0
393.99127	1.1
487.32794	1.1
617.15210	1.8
649.38300	2.1
667.39166	34.7
667.49982	1.8
709.40387	7.5
767.20105	1.3
811.19678	3.9
811.43701	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	14.8
58.86765	1.3
59.01379	41.6
71.01380	31.1
73.02946	6.6
74.06306	1.7
85.02944	8.4
86.24332	1.4
87.00848	1.9
89.02436	37.1
92.22472	3.1
99.04506	8.9
101.02441	36.7
102.33607	1.7
113.02460	22.1
117.13486	1.5
119.03494	13.1
125.02422	9.9
133.20236	1.5
143.03543	1.8
161.04538	2.1
162.81013	1.8
251.12340	1.6
255.02934	2.5
271.06180	2.7
283.02567	26.2
284.03271	9.8
298.04871	35.7
299.05539	8.7
312.40753	1.8
343.28830	2.2
449.28116	2.6
473.19040	1.6
505.34210	3.3
617.15271	3.5
628.58844	1.8
635.16406	2.5
649.38007	2.2
667.39325	44.6
693.24188	1.9
709.40131	7.2
767.38190	3.5
768.46210	7.3
811.21997	13.9
811.43579	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.6
57.38503	0.4
59.01384	7.4
59.96009	0.3
71.01374	3.8
72.99277	0.4
73.02943	14.8
75.00858	1.6
81.99242	0.4
85.02938	1.4
87.00844	0.7
89.02423	4.3
92.22507	0.7
97.02924	0.4
99.00877	2.6
99.92604	3.6
101.02445	3.1
105.24194	0.4
113.02438	2.6
114.93375	0.4
115.00385	0.5
115.03983	2.4
116.03541	1.5
116.07178	0.4
116.92851	100.0
117.01927	39.4
117.05595	0.8
119.03504	1.4
125.02475	0.4
127.11259	0.4
130.95735	0.4
146.71429	0.4
159.79242	0.4
160.74438	0.4
165.89746	0.3
179.05646	0.8
273.11267	0.4
282.16605	0.4
283.02658	0.6
296.64093	0.3
298.05002	0.7
340.64273	0.4
340.98151	0.3
581.35437	0.6
623.36615	2.1
665.37683	0.5
690.76001	0.4
693.42255	12.8
750.00317	0.4
767.41327	1.4
773.62036	0.4
811.44580	1.8
824.30219	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4489
Annotation	Bayogenin 3-O-cellobioside
Peak:m/z	Relative Intensity
58.00592	0.5
59.01383	41.1
68.99863	0.3
71.01379	21.0
72.99280	0.4
73.02937	0.8
75.00854	2.8
83.01340	0.6
85.02948	7.2
87.00864	0.4
89.02439	29.5
92.23092	0.8
95.01364	2.7
99.00246	0.3
99.00864	3.5
101.02438	13.9
113.02451	13.0
115.32962	0.4
119.03492	8.5
126.42165	0.4
149.04555	0.5
157.01428	0.6
161.04515	0.5
179.05663	0.6
202.54921	0.4
277.31979	0.4
306.53281	0.4
455.31873	0.9
471.31189	0.5
503.33810	4.6
507.08063	0.4
543.45917	0.4
585.34674	1.7
591.40363	0.5
617.37390	2.1
617.70044	0.5
631.51508	0.4
661.36066	2.5
811.44226	100.0
811.93719	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	811.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.4
59.01381	43.4
71.01375	23.7
72.99282	0.7
73.02940	0.9
83.01390	0.7
85.02953	5.0
87.00854	0.4
89.02439	31.9
92.22491	0.6
95.01379	2.3
99.04519	0.5
101.02442	15.3
113.02439	12.8
114.22331	0.4
119.03491	10.5
125.02390	0.5
131.03522	0.6
143.03520	0.7
145.72186	0.4
149.04538	0.8
159.42464	0.4
161.04526	1.0
165.51196	0.4
179.05644	2.8
189.96701	0.6
284.03278	0.9
378.69437	0.5
403.92020	0.4
471.87650	0.5
667.38873	0.6
680.34509	0.5
811.44916	100.0
841.19757	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	8.2
60.43856	0.4
68.99800	2.9
70.23161	0.5
71.01379	6.3
71.08153	0.5
73.02920	0.6
85.02930	0.9
89.02435	8.6
95.01398	0.5
99.00895	0.6
101.02438	4.4
113.02442	3.5
119.03495	3.0
123.00880	0.8
134.03735	1.2
137.02467	0.5
138.03227	5.9
139.04027	0.7
145.07878	0.6
149.06207	0.5
150.03226	2.8
153.01933	3.3
153.04416	0.6
153.05585	12.8
160.01648	4.2
161.02368	0.5
165.05568	7.7
168.04309	1.3
175.04004	25.9
175.07639	2.1
176.01138	1.2
177.02028	0.7
177.05569	3.0
178.02692	2.4
179.03461	0.8
180.04201	1.3
181.08694	1.1
191.03525	8.8
192.04358	0.9
193.01416	3.5
193.05058	8.7
195.06645	3.8
201.05611	0.8
207.06631	11.9
208.03775	22.0
208.05739	0.8
209.04608	1.8
216.04218	0.6
217.05080	0.5
219.06590	0.6
223.06129	25.8
330.39609	0.6
340.09589	1.3
354.09634	2.7
355.11792	2.8
369.11877	13.9
373.12955	2.5
411.12885	0.8
418.48181	0.7
535.18066	0.8
565.19354	100.0
607.20306	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	813.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	67.9
59.62413	8.1
60.16766	6.6
63.03571	6.3
67.01567	6.3
68.87906	6.6
71.01385	15.1
73.02936	12.7
85.02957	8.3
89.02441	9.0
92.67714	7.9
95.79528	7.3
101.02438	16.0
113.02422	12.1
118.37415	8.3
130.21097	7.4
147.77951	6.6
149.04659	7.8
176.04311	9.0
264.66055	8.8
334.05545	9.2
472.05807	9.9
593.08978	7.5
673.39697	11.0
733.41687	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.0
59.01098	0.5
59.01382	9.9
59.20862	0.3
63.52937	0.3
67.00435	0.4
71.01374	12.1
71.07070	0.3
72.99294	2.0
73.02931	3.1
75.00866	18.7
83.01376	2.0
85.02942	19.2
87.00860	4.8
89.02435	2.6
92.23119	0.5
95.01363	2.7
97.02939	0.6
99.00883	7.0
101.02436	6.7
103.00348	0.7
111.00888	0.5
111.83540	0.5
113.02441	27.7
115.00336	2.2
117.01890	1.5
119.03500	0.6
125.02405	1.5
129.01917	0.8
151.25395	0.4
157.01418	0.8
161.04546	0.6
173.04512	0.5
175.02452	2.2
175.03915	0.5
220.69466	0.4
283.02475	2.5
284.02948	1.6
298.04758	2.7
299.05246	2.2
300.05539	2.1
320.28473	0.5
473.36761	0.8
475.37943	1.5
543.65125	0.4
571.26666	0.5
769.38867	0.6
813.21606	3.0
813.46497	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4642
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78475	0.3
57.03445	1.7
59.01382	35.2
66.99329	0.4
71.01377	24.1
72.99294	0.6
73.02958	4.3
83.01359	0.8
85.02953	4.5
85.04187	0.4
87.00865	1.0
87.24374	0.4
89.02437	38.5
92.22453	0.6
95.01369	1.0
95.92316	0.5
97.02960	0.5
99.00901	0.6
99.04515	1.9
101.01769	0.9
101.02437	26.6
113.02444	15.7
119.03500	14.8
119.04963	0.9
125.02444	2.7
127.84596	0.4
131.03511	5.7
143.03526	2.4
145.02904	2.1
146.03313	0.8
146.04475	0.5
149.04495	1.1
151.00352	1.0
159.94972	0.5
161.04530	7.6
163.03976	0.6
178.99809	0.6
179.05600	5.1
201.36241	0.4
209.62929	0.5
221.06662	7.8
227.03548	3.4
228.03851	0.9
255.03000	8.5
256.03436	6.8
257.03683	3.3
265.18250	0.5
269.04630	0.5
283.02420	0.6
284.03290	44.8
285.03677	31.6
286.03891	16.2
287.04620	1.8
292.60437	0.5
298.65915	0.5
405.21341	0.7
407.19229	0.9
522.67786	0.5
604.13367	0.7
605.14240	2.7
622.14795	0.6
623.15491	0.9
651.40979	1.1
767.18390	1.7
768.18970	0.7
769.07587	0.7
769.18945	35.1
813.46405	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4645
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.5
57.98085	0.3
58.41324	0.3
59.01383	40.5
63.44689	0.3
70.26227	0.3
71.01380	24.6
72.99317	0.7
73.02937	1.6
83.01366	1.5
85.02950	5.3
85.54754	0.3
85.62554	0.3
87.00866	0.7
89.02439	29.1
92.23196	0.5
95.01361	2.0
99.00882	1.8
101.02438	16.2
113.02446	13.0
119.03492	10.2
131.03474	0.6
143.03491	0.5
161.04591	0.7
175.03963	0.6
201.11426	0.3
330.39072	0.4
373.17081	0.4
377.83890	0.4
813.46613	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	34.8
71.01381	26.5
72.99284	0.9
73.02938	3.9
83.01401	0.9
85.02946	7.1
85.15305	0.6
87.00861	0.6
89.02438	27.9
90.78948	0.5
92.22514	1.1
95.01398	1.2
96.95975	1.2
99.00887	0.7
101.02442	20.2
113.02447	14.0
114.90981	0.7
119.03499	10.0
132.27016	0.6
137.63641	0.5
143.03561	0.7
160.22618	0.5
161.04556	0.6
171.34363	0.5
189.72443	0.5
246.19176	0.6
263.14755	0.6
280.01648	0.5
280.26221	0.7
304.54688	0.6
357.27164	0.6
385.42871	0.6
413.30624	0.8
489.35471	3.9
607.86554	0.6
646.97717	0.6
758.66229	0.7
769.44409	2.4
813.46552	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4651
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.4
59.01384	38.3
71.01379	24.1
71.32766	0.4
72.94318	0.4
72.99304	0.8
73.02940	1.7
75.31010	0.4
83.01347	0.7
85.02937	5.7
87.00854	0.9
89.02438	36.3
95.01379	2.1
101.02439	16.6
103.34465	0.4
104.45330	0.4
113.02444	11.7
119.03494	10.0
128.33380	0.4
131.03537	0.5
159.58156	0.5
179.05605	0.7
227.67413	0.5
492.05951	0.5
813.46472	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4649
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.2
58.22160	0.4
59.01386	5.7
71.01374	10.0
72.76795	0.4
72.99297	1.2
73.02937	2.2
75.00866	17.2
75.47398	0.5
83.01378	0.7
85.02950	18.2
87.00881	4.4
89.02438	1.1
89.24982	0.5
92.23081	0.6
95.01385	2.0
99.00872	7.7
101.02443	5.9
103.00381	0.6
110.57893	0.6
113.01648	0.9
113.02438	27.0
115.00344	2.0
117.01965	0.6
129.01903	0.8
157.01414	0.8
170.34035	0.6
175.02518	2.2
193.05132	1.1
258.48593	0.5
258.91940	0.5
399.32513	0.7
473.36752	0.7
813.46545	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.0
59.01098	0.5
59.01382	9.9
59.20862	0.3
63.52937	0.3
67.00435	0.4
71.01374	12.1
71.07070	0.3
72.99294	2.0
73.02931	3.1
75.00866	18.7
83.01376	2.0
85.02942	19.2
87.00860	4.8
89.02435	2.6
92.23119	0.5
95.01363	2.7
97.02939	0.6
99.00883	7.0
101.02436	6.7
103.00348	0.7
111.00888	0.5
111.83540	0.5
113.02441	27.7
115.00336	2.2
117.01890	1.5
119.03500	0.6
125.02405	1.5
129.01917	0.8
151.25395	0.4
157.01418	0.8
161.04546	0.6
173.04512	0.5
175.02452	2.2
175.03915	0.5
220.69466	0.4
283.02475	2.5
284.02948	1.6
298.04758	2.7
299.05246	2.2
300.05539	2.1
320.28473	0.5
473.36761	0.8
475.37943	1.5
543.65125	0.4
571.26666	0.5
769.38867	0.6
813.21606	3.0
813.46497	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.5742
Annotation	Unknow
Peak:m/z	Relative Intensity
60.62605	2.2
61.44217	2.4
64.25290	2.5
67.25510	2.4
69.61691	2.2
78.78848	2.5
79.62996	2.6
82.36194	2.6
86.71406	2.5
116.92818	11.2
149.40373	3.4
170.10144	2.5
171.10268	4.8
238.57968	3.5
279.23294	34.1
297.24402	100.0
338.71497	3.3
339.69025	3.0
491.07791	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	815.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.6
59.01379	2.9
69.88417	0.5
71.01364	1.1
73.02941	0.7
76.28878	0.6
84.70443	0.5
85.02941	0.7
85.09684	0.6
87.58344	0.5
89.02435	0.6
99.00842	0.7
101.02449	1.0
113.02416	0.9
121.02943	3.7
161.02499	0.6
165.00598	1.3
165.01921	26.1
165.12891	0.7
174.50632	0.6
175.03944	2.4
183.13914	2.9
193.01442	8.2
193.05101	1.2
195.89317	0.7
207.02849	0.8
221.00957	0.6
253.09073	0.7
256.03445	0.8
267.07263	0.9
269.04761	0.8
271.02475	3.2
287.05615	2.6
299.02005	23.9
300.02740	8.0
314.04358	96.5
315.05136	100.0
356.42181	0.7
367.65588	0.7
448.16739	0.6
477.10416	54.8
537.14484	0.8
653.15283	38.1
725.14819	0.7
815.18787	7.0
815.32794	2.0
815.44684	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	815.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04630	0.6
59.01382	16.0
65.38819	0.6
71.01376	12.3
73.24002	0.6
83.39150	0.6
85.02958	1.6
89.02444	15.0
91.88454	0.6
94.99140	0.6
101.02436	7.2
102.13427	0.7
113.02412	8.0
115.62271	0.7
119.03471	4.8
138.03140	0.7
139.41937	0.6
142.75618	0.7
149.02451	2.6
150.03227	28.7
161.04657	0.9
164.04764	4.7
165.05563	100.0
179.05652	2.6
180.04300	5.8
193.05037	0.8
195.04811	1.2
195.06633	32.4
209.08206	6.0
223.06149	0.8
259.29507	0.7
342.10883	1.3
357.13370	7.8
405.15442	3.8
549.19897	4.3
565.19501	0.8
566.19849	1.6
567.20837	67.5
609.12140	1.3
609.22028	40.6
771.27148	3.0
815.40356	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71540	0.4
59.01371	2.4
71.01383	0.6
76.99652	0.4
79.11959	0.4
79.95746	1.9
83.71743	0.4
94.98074	2.9
96.96002	100.0
98.93985	0.4
99.69434	0.4
101.02444	0.9
113.02395	0.7
114.93361	0.8
122.83161	0.5
131.96130	0.4
132.08995	0.4
154.74205	0.5
156.71696	0.4
185.89711	0.4
198.01527	0.4
207.57864	0.4
210.38028	0.4
245.93776	0.4
296.59882	0.5
490.06445	0.5
673.39795	2.7
815.35016	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	815.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
66.41122	0.5
68.82709	0.5
71.01368	3.8
72.99292	2.4
79.95049	0.5
84.93862	0.9
87.00867	1.0
88.25726	0.5
95.17624	0.8
99.00870	3.1
99.92578	13.6
100.74263	0.7
100.93361	10.6
111.00879	0.6
115.92059	17.4
116.92849	100.0
127.00386	0.8
142.94388	1.4
154.94389	0.7
156.68329	0.7
166.94365	0.8
169.93187	0.8
170.93922	0.7
172.46536	0.6
183.13870	0.6
184.95445	2.5
212.95023	0.7
255.23268	7.9
273.94211	0.7
310.05228	1.3
330.92773	0.6
353.07135	1.0
371.15210	1.2
717.32489	0.7
735.34229	3.2
753.34631	0.9
767.33337	3.2
779.32819	2.4
797.34515	2.6
815.35394	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	815.3927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	66.2
59.01383	48.5
71.01379	6.3
73.02939	2.6
85.02937	1.5
89.02441	4.0
89.14762	0.5
99.04514	69.1
99.34283	0.7
101.02438	20.7
112.75713	0.6
113.02438	3.6
119.86070	0.6
125.02437	25.1
143.03502	3.8
151.09332	0.6
161.04544	4.1
225.32503	0.7
248.80063	0.6
263.15027	14.0
305.16080	13.7
318.96600	0.6
345.19281	2.7
407.19272	100.0
777.03937	0.7
794.54034	0.7
815.47247	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	815.4567
Annotation	Unknow
Peak:m/z	Relative Intensity
71.61344	0.8
78.95901	31.8
80.96507	1.9
90.51263	0.7
94.79303	0.8
96.96954	9.1
109.42323	0.8
124.97372	0.7
128.72655	0.7
139.92610	0.8
152.99586	100.0
164.98618	1.0
171.00621	3.3
192.99016	1.6
209.11823	5.0
237.56897	0.8
249.66150	0.8
255.20824	1.3
255.23326	27.0
277.21713	4.3
383.95361	0.8
485.18036	8.1
616.73999	0.9
739.35138	1.0
815.45746	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	815.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40391	0.3
59.01382	0.6
59.14430	0.3
71.01373	3.7
73.02943	1.4
78.98589	4.2
79.95722	5.1
80.96513	44.7
81.03448	0.8
85.02938	0.9
87.00868	2.8
94.98074	11.2
95.41438	0.4
96.95995	0.5
97.02917	1.4
99.00862	0.5
101.02454	3.3
106.98092	2.9
122.97572	3.7
125.02453	3.9
127.03967	0.6
134.97604	4.2
136.99098	2.3
146.97484	0.4
148.99132	7.2
152.98631	8.1
164.98608	16.4
167.00101	0.6
188.98767	0.4
206.99672	3.8
225.00746	29.0
255.23340	2.5
258.15872	0.4
277.21701	1.9
287.35992	0.4
427.35837	1.0
457.37112	1.9
537.27319	3.2
559.25677	3.3
591.52771	0.5
656.10919	0.5
815.49921	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.4
63.89256	0.3
68.63085	0.3
69.03436	0.4
71.01377	4.5
73.02942	1.3
75.19095	0.3
78.98587	4.0
79.54321	0.3
79.95737	4.0
80.96513	37.2
81.03446	0.8
83.19041	0.3
85.02945	2.0
87.00876	2.7
94.98077	10.5
96.95960	0.5
97.02929	0.7
99.00863	0.4
101.02422	2.3
106.98084	2.6
108.26972	0.3
122.97602	2.9
125.02436	4.2
134.97592	3.9
136.99130	1.7
148.99127	6.8
152.98642	8.6
164.98631	15.4
167.00209	0.4
188.98563	0.4
206.99725	4.3
225.00758	27.2
255.23370	2.2
277.21741	1.5
402.76248	0.4
537.27588	2.3
559.26105	3.5
578.27228	0.4
815.49933	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.5173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	8.0
65.82632	0.8
71.01395	6.5
72.99295	1.8
75.00884	9.6
80.96502	1.0
85.02946	13.9
87.00859	3.9
89.02423	1.4
95.01373	3.5
99.00864	5.4
103.00389	1.4
104.38854	0.8
107.18949	0.8
107.55635	0.9
113.02451	11.7
146.20940	0.9
158.61354	0.9
169.49680	1.0
175.02382	0.9
183.13896	6.8
211.13411	1.3
214.40749	1.0
255.23314	65.0
327.21851	6.9
720.79840	1.2
815.51666	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	1.5
71.01382	1.4
77.37585	1.2
92.22508	2.4
101.02419	1.5
102.43587	1.4
113.02400	1.7
125.02411	2.9
136.01669	1.8
149.02402	1.9
150.02098	2.5
150.03226	44.2
151.03946	10.2
160.35461	1.3
165.01959	12.5
165.05560	100.0
166.02730	11.0
175.03986	1.8
177.01994	1.8
179.03535	2.4
180.04283	32.3
181.05074	34.4
192.04338	2.8
194.05806	1.6
195.06642	78.1
207.06694	2.8
210.05357	8.6
225.07664	22.4
357.13425	2.0
372.12094	1.6
383.34653	1.5
387.10385	4.9
387.14560	7.8
402.13077	2.5
417.15491	12.3
565.20874	1.7
613.22955	95.5
672.20746	1.6
680.44531	1.4
756.40662	1.6
817.29553	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	817.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	67.1
59.01381	67.6
59.90691	2.4
70.05791	2.4
71.01385	3.5
76.92117	2.8
77.51165	3.0
87.00949	3.7
89.02438	3.9
92.23159	4.3
99.04515	90.2
101.02435	27.9
104.84454	3.5
113.02489	4.3
125.02459	39.9
137.02443	6.2
143.03514	4.4
147.04518	22.7
154.98674	3.0
160.30035	3.3
161.04576	4.1
161.39766	2.8
163.03970	3.9
165.05573	32.5
168.51439	2.8
171.67145	3.1
200.31825	3.3
207.06599	15.0
223.06117	6.7
226.97293	4.0
257.62180	3.6
269.10309	13.3
311.11240	23.7
339.50211	3.3
349.32965	3.2
413.14560	100.0
569.18115	3.3
628.85632	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	817.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.31410	0.9
61.53354	1.1
71.01384	4.2
89.02428	4.7
90.80997	1.1
92.23039	1.4
101.02431	5.7
111.83045	1.0
113.02447	1.1
126.30842	1.0
130.09451	1.1
141.01700	73.3
231.05138	1.1
243.04890	1.1
277.21799	16.1
346.01471	1.2
359.22025	9.1
397.04956	1.1
397.13589	9.6
419.11536	1.1
437.12836	5.9
558.29382	1.2
675.36182	9.6
682.22345	1.3
697.34058	22.7
733.70703	1.2
757.36578	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	817.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
64.69866	2.9
75.04510	2.9
78.95059	3.7
89.02464	3.6
102.47320	3.1
119.49679	3.6
125.63110	3.1
141.01694	79.4
149.70590	2.9
166.20990	3.6
170.13097	3.2
229.91911	3.3
277.21832	7.2
281.69431	3.4
359.21973	7.9
516.71234	3.8
675.36932	5.8
697.34406	22.8
844.04578	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	819.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.4
59.01381	12.5
68.99799	0.8
71.01374	11.6
72.99311	1.0
73.02945	1.9
75.00867	2.5
75.82928	0.4
79.57166	0.4
83.01372	0.8
85.02946	11.0
86.87742	0.4
87.00860	1.8
89.02431	7.7
93.45882	0.4
95.01380	4.4
99.00877	16.8
101.01866	0.6
101.02445	9.0
102.85797	0.5
113.02448	14.4
115.00303	0.4
115.56638	0.4
119.03471	2.7
139.00343	1.0
140.92834	0.4
157.01384	1.0
159.02768	0.5
165.01944	0.5
190.54762	0.4
382.96844	0.4
389.28558	2.7
421.28043	0.5
423.93988	0.5
433.27322	0.5
437.30844	4.6
481.29874	2.0
536.50970	0.4
551.33807	3.1
569.34692	0.5
595.32709	7.1
639.31970	3.3
653.53027	0.5
736.11261	0.6
751.04211	0.5
757.37659	0.6
775.36176	0.5
819.38129	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	1.2
59.01381	17.7
69.69384	1.0
71.01372	12.0
72.99292	1.1
73.02934	2.0
75.00869	8.1
82.95420	1.3
83.01373	1.0
84.28682	0.9
85.02929	10.0
87.98985	1.0
88.67215	1.0
89.02442	9.8
95.01363	4.9
99.00882	9.7
101.02431	12.1
102.95899	0.9
113.02414	12.8
119.03514	3.8
127.39868	1.0
144.24481	1.1
156.86247	1.0
157.01396	1.3
248.45026	1.3
284.20767	1.0
298.04724	1.2
299.05350	1.6
323.66827	1.3
379.26202	1.6
395.29572	17.2
435.28918	1.7
437.30817	12.6
463.32565	1.4
509.32932	6.1
538.41669	1.5
551.33472	4.8
775.39301	1.5
777.45032	1.6
819.37946	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.8
79.95737	2.5
94.98085	1.6
96.96004	100.0
101.02444	0.6
113.02477	0.5
193.64105	0.3
257.82172	0.3
283.23343	0.3
677.42853	1.9
819.38794	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	819.4513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
63.23939	0.9
64.20386	1.0
65.09019	0.9
66.32658	1.1
113.02425	1.1
124.42842	1.1
141.00490	6.5
141.01692	92.1
259.70383	1.0
308.15826	1.1
380.68524	1.2
432.51212	1.1
699.40485	7.9
759.42017	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	819.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.08946	2.7
68.72728	3.2
71.01388	41.0
73.02941	18.5
82.95435	4.8
83.01422	5.3
85.02934	23.1
88.35646	3.0
89.02418	25.1
98.08295	3.5
101.02437	27.5
113.02441	42.3
119.03484	7.1
143.03555	4.1
221.14366	3.9
237.66808	3.4
286.86700	4.5
410.98514	3.2
438.19574	3.8
504.27386	3.6
613.67529	4.0
759.43628	33.6
777.43872	21.5
819.46564	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	819.4909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.7
71.01392	5.4
71.24596	0.6
72.99306	2.6
75.00866	7.7
85.02962	8.6
87.00867	3.2
89.02408	1.0
95.01391	1.5
97.02945	1.0
99.00876	6.7
106.04063	0.7
113.02435	10.4
115.00359	0.9
117.01923	0.9
153.56749	0.6
171.10266	1.4
200.77895	0.6
225.00987	0.8
249.06047	0.8
256.83826	0.7
277.21729	33.5
291.19635	3.2
369.51312	0.6
412.21082	0.7
639.59595	0.7
675.78894	0.7
819.49066	100.0
838.25848	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4904
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.3
59.01376	7.6
71.01369	7.2
72.99290	2.3
75.00871	10.1
77.59842	1.0
85.02946	11.9
85.89012	1.1
87.00864	2.7
89.02444	1.3
90.01821	1.1
90.87643	1.0
95.01394	1.2
99.00861	7.1
101.02463	1.3
104.61207	1.0
113.02454	9.3
117.01907	2.0
197.11795	1.5
209.15462	1.7
225.14987	2.0
251.16432	1.5
277.21790	26.3
291.19568	1.5
309.20694	1.1
327.12424	1.2
462.44467	1.1
819.49030	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	7.8
59.34375	0.9
61.43263	1.0
71.01366	7.2
75.00853	2.2
85.02937	7.2
89.02396	4.9
92.73766	1.1
95.01347	1.3
95.08353	1.1
99.00871	12.8
101.02426	5.0
111.62895	1.0
113.02438	16.0
203.07101	1.3
364.65109	1.4
391.29916	2.4
439.32010	2.6
483.31030	6.8
553.35590	2.6
565.31995	2.2
597.34918	9.0
641.33344	5.9
759.40039	2.3
821.39655	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	7.8
59.34375	0.9
61.43263	1.0
71.01366	7.2
75.00853	2.2
85.02937	7.2
89.02396	4.9
92.73766	1.1
95.01347	1.3
95.08353	1.1
99.00871	12.8
101.02426	5.0
111.62895	1.0
113.02438	16.0
203.07101	1.3
364.65109	1.4
391.29916	2.4
439.32010	2.6
483.31030	6.8
553.35590	2.6
565.31995	2.2
597.34918	9.0
641.33344	5.9
759.40039	2.3
821.39655	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
71.01380	18.0
73.02935	11.7
81.03423	1.0
83.01380	3.2
83.69640	0.7
85.02931	8.7
87.86231	0.8
89.02433	7.9
95.01357	1.4
96.61653	0.7
97.02905	1.2
99.00883	1.3
101.02444	16.3
111.02305	0.7
113.02438	18.0
119.03471	2.8
120.53087	0.7
120.67945	0.9
121.02277	0.7
125.02451	3.7
128.28265	0.8
131.25288	0.8
143.03476	4.1
155.03572	1.1
161.04532	5.0
203.05568	1.7
271.31894	0.8
308.88995	1.0
343.86752	0.8
490.55963	0.9
559.33093	0.8
675.41376	13.1
693.42413	4.0
717.42407	23.2
735.43420	22.7
777.44385	26.6
821.46259	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4696
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.1
59.01378	69.4
59.66935	0.9
66.73675	0.8
67.27078	0.9
69.03451	1.2
71.01374	26.1
72.99313	1.2
73.02938	11.4
82.86609	0.9
83.01384	6.4
85.02943	20.0
87.00856	1.5
89.02438	5.8
92.23076	1.0
95.01379	4.1
97.02962	1.0
99.00872	4.2
101.02428	26.0
112.01698	1.0
113.02444	16.1
117.59630	1.0
121.96780	0.8
125.02415	1.9
143.03496	1.4
161.04581	4.3
205.96716	1.0
265.87680	1.1
372.09695	1.1
437.34637	1.0
455.35107	7.1
534.98187	1.2
599.39410	1.3
617.40576	3.7
634.41541	1.1
664.63892	1.1
716.56531	1.0
716.69073	1.2
761.44861	73.9
779.46027	29.2
821.47205	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01102	3.6
59.01381	76.4
59.56195	2.4
59.69695	2.1
67.69307	2.0
68.26823	2.3
71.01377	38.4
73.02940	9.9
83.01381	3.0
85.02942	27.9
87.00864	2.7
89.02430	19.5
92.23093	4.2
95.01370	5.0
99.00867	24.0
101.02425	19.2
107.97902	2.1
113.02433	43.1
119.03480	5.0
125.02432	3.0
165.89302	2.6
324.72964	2.7
413.67447	2.6
483.30972	11.1
606.99866	2.7
718.09540	2.9
761.44720	37.3
779.46106	17.8
821.37189	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	821.4695
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.1
57.93862	0.8
59.01381	79.1
67.20809	0.8
67.44160	0.8
68.06894	0.9
71.01375	42.6
73.02953	7.7
73.97179	0.9
83.01366	1.7
85.02941	18.2
89.02434	39.8
94.98055	1.4
95.01384	5.2
96.95997	29.1
98.95585	12.3
98.96259	1.4
99.00854	1.8
99.92569	1.7
100.93332	8.4
101.02435	31.6
111.00808	1.2
113.02429	25.5
115.92057	10.5
116.92852	40.8
119.03476	14.0
124.01715	1.3
125.02419	1.6
161.04582	2.3
179.05594	1.3
241.26805	1.3
379.92630	1.1
425.48523	1.2
482.19391	1.5
699.32214	2.0
761.44849	52.7
779.45874	37.4
781.74243	1.1
821.33966	20.1
821.47308	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.47
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.2
59.01383	67.5
63.22883	1.1
65.21091	1.1
65.93546	1.1
67.94300	1.3
68.76384	1.2
70.55042	1.2
71.01378	30.4
73.02920	11.2
73.81173	1.3
79.60784	1.3
84.25391	1.2
85.02954	22.8
89.02436	16.4
95.01374	7.8
99.00842	2.1
101.02448	15.9
113.02448	35.9
119.03501	2.2
124.01652	1.8
125.02390	2.5
161.04527	3.0
171.26923	1.3
262.12268	1.4
604.13153	1.6
636.86224	1.5
761.44867	58.3
779.45776	24.0
821.47076	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
59.38415	0.7
63.02545	0.7
71.01377	4.2
72.63569	0.7
87.00886	1.1
99.00868	4.3
99.92576	25.5
100.93345	18.5
101.02454	0.8
115.92071	32.2
116.92852	76.7
126.94908	1.7
127.00404	0.9
141.93620	1.7
142.94408	3.1
154.94431	1.2
155.45496	0.9
156.95995	6.4
167.95163	0.9
168.95981	1.1
170.93925	3.0
173.96236	2.9
177.22382	0.8
181.12378	1.3
183.13853	1.7
196.95471	1.2
197.11723	0.8
198.97037	1.3
226.96545	1.6
240.17566	1.0
244.97588	1.4
265.05515	1.3
277.21750	11.9
279.03256	0.8
280.04199	1.2
281.04968	2.7
282.05585	1.0
285.00653	5.5
286.01620	1.2
309.04553	1.1
310.05200	2.9
316.99670	0.9
318.00430	4.9
353.06781	1.0
357.95035	0.8
361.14780	3.2
367.08499	3.5
393.13950	1.4
515.12585	1.4
594.47198	0.9
682.55017	1.0
743.35345	1.5
787.33484	15.6
805.34735	3.7
823.35889	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23214	0.8
65.72720	0.9
71.01366	2.3
72.99306	1.3
75.20570	0.8
82.20068	0.9
99.00851	4.0
99.92573	16.8
100.93340	16.7
113.02480	1.1
115.92065	24.8
116.92851	65.5
126.94843	1.6
128.84673	0.9
141.12190	1.0
141.93689	1.5
142.94400	2.1
156.95949	5.8
161.61049	1.0
167.95245	1.2
170.93916	1.6
183.13945	1.8
196.95454	1.5
197.11714	1.5
226.96523	1.3
252.37473	1.1
265.05447	1.8
277.21710	16.0
279.03198	1.1
281.04782	2.2
285.00647	4.1
293.04901	1.2
310.05072	1.2
318.00558	5.5
327.05515	1.5
327.21915	1.2
361.14548	1.2
453.33829	1.0
497.10675	1.6
590.48663	1.2
743.35248	1.5
787.33868	12.4
805.34326	2.4
823.35913	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.5
61.19462	0.5
64.04911	0.5
68.38998	0.6
69.74033	0.5
71.01375	10.8
72.99295	1.2
73.02944	0.7
75.00870	6.7
83.01370	0.8
85.02940	8.9
86.23712	0.6
87.00871	2.6
89.02441	5.2
95.01376	1.0
99.00880	9.6
101.02431	5.6
111.00911	0.7
112.01609	0.6
113.02450	14.8
115.00321	0.6
131.03525	0.6
145.01419	0.8
157.01419	1.3
159.03021	0.8
163.02478	2.9
165.04036	2.3
191.01964	2.0
274.99783	0.6
328.89816	0.6
387.26114	0.6
395.21042	0.6
405.27573	0.5
425.31110	0.7
438.54410	0.5
453.30069	1.0
513.23602	0.7
529.22876	2.2
531.24298	0.6
545.26666	1.1
618.27197	0.6
674.10321	0.8
733.12091	0.7
761.38171	0.8
778.34503	2.2
779.38800	0.7
806.36890	1.0
807.38239	2.2
808.38507	2.9
809.37860	0.8
823.37708	100.0
837.39435	1.3
838.39850	3.4
839.39569	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	10.3
59.50270	0.7
64.57317	0.7
67.66508	0.6
68.99796	0.7
71.01372	12.5
73.09654	0.8
75.00865	7.8
85.02942	15.7
85.14678	0.7
87.04494	2.7
89.02434	7.2
95.01366	3.2
96.96024	0.9
99.00876	17.0
99.04546	0.9
101.02433	2.9
113.02448	19.1
139.00339	0.8
157.01456	1.1
195.81636	0.9
225.65646	0.9
277.96902	0.8
379.30099	0.8
427.32358	1.4
435.29117	3.2
453.29858	1.9
458.93759	0.8
515.29993	1.3
541.34851	1.0
585.34357	1.3
673.32202	1.1
709.09698	0.9
779.38416	9.1
823.37726	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.4
60.34697	1.0
71.01371	11.6
75.00874	8.4
79.30827	1.1
82.35706	0.8
85.02937	13.4
89.02445	8.5
92.13076	0.8
95.01340	1.1
99.00866	12.2
110.38691	0.8
113.02448	18.6
127.03992	2.3
157.01414	1.3
157.09795	1.0
163.04027	1.4
229.88245	1.0
246.58350	0.9
327.87662	1.1
387.25848	1.4
453.30124	2.3
515.30054	1.5
575.31293	1.1
591.12628	1.1
673.33441	1.2
823.37701	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	823.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	13.6
59.95190	1.2
67.30750	0.9
71.01382	8.8
75.00874	2.6
77.52256	1.2
83.01334	1.7
85.02953	9.9
89.02417	6.2
95.01379	1.4
99.00895	11.4
101.02397	7.5
103.88692	1.2
104.58673	1.3
112.01611	1.4
113.02458	11.7
119.03504	2.5
128.99950	1.2
134.54634	1.2
157.01407	1.5
178.14032	1.6
192.82701	1.2
437.30447	2.2
485.32501	5.9
567.32971	2.0
599.35657	7.9
643.34821	8.5
655.59033	1.6
761.41089	2.0
802.00482	1.4
823.40997	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	823.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.24856	0.4
69.94581	0.6
71.01389	3.3
73.02936	1.0
73.56996	0.4
79.55277	0.5
84.95103	0.7
85.02921	1.8
89.02451	0.9
90.27906	0.5
101.02448	2.9
103.47220	0.4
113.02460	3.2
116.02014	0.5
131.02518	0.5
225.91702	0.7
225.94106	0.4
239.84294	0.5
299.05643	0.7
489.36020	0.9
633.40088	1.0
675.40570	4.2
693.42480	3.6
726.33191	0.6
735.43323	39.1
761.78052	0.5
823.41821	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	823.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57183	2.5
59.01100	4.5
59.01382	100.0
71.01056	2.1
71.01370	18.7
73.02938	5.8
73.07223	2.4
80.35999	2.2
85.02923	4.6
87.00900	3.0
89.02437	10.4
96.88229	2.3
99.00883	2.8
101.02433	12.9
102.74142	2.3
106.72881	2.8
113.02459	21.6
119.03449	3.1
143.03506	3.3
541.27399	2.9
633.40137	12.5
675.41144	18.2
693.42426	28.9
735.43250	24.9
823.37677	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	823.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57183	2.5
59.01100	4.5
59.01382	100.0
71.01056	2.1
71.01370	18.7
73.02938	5.8
73.07223	2.4
80.35999	2.2
85.02923	4.6
87.00900	3.0
89.02437	10.4
96.88229	2.3
99.00883	2.8
101.02433	12.9
102.74142	2.3
106.72881	2.8
113.02459	21.6
119.03449	3.1
143.03506	3.3
541.27399	2.9
633.40137	12.5
675.41144	18.2
693.42426	28.9
735.43250	24.9
823.37677	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	823.4493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	95.7
67.28673	0.6
69.03417	0.7
71.01376	45.0
72.99303	1.0
73.02939	25.2
83.01382	6.1
85.02943	15.9
87.00855	2.9
89.02438	37.4
92.07624	0.6
95.01375	6.6
99.00891	3.5
101.02440	33.6
113.02443	41.6
119.03490	14.5
131.03496	3.7
143.03522	2.8
149.04607	2.5
161.04538	9.8
179.05611	11.1
221.06660	1.2
238.41664	0.7
252.85448	0.9
357.24161	1.0
439.32199	1.6
486.26022	1.0
524.10577	0.8
763.42786	76.3
781.43829	19.3
786.59119	0.8
823.44916	100.0
830.07117	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01127	0.8
59.01382	9.5
65.97179	0.6
71.01387	6.7
72.99323	0.6
73.02930	0.7
78.62413	0.5
81.98346	0.6
85.02951	1.0
87.00867	1.2
89.02441	10.5
97.02931	1.0
97.06581	5.7
99.21198	0.6
101.02451	8.7
113.02434	4.5
119.03484	3.5
123.08135	1.5
125.02450	2.5
125.09713	51.1
133.05093	0.6
134.02696	0.7
143.98096	0.8
169.08704	1.3
171.10272	0.8
179.05464	0.6
185.46092	0.6
187.09756	37.3
211.13341	1.6
221.06688	0.9
229.14317	0.8
235.08206	2.6
253.09402	1.2
255.23306	38.5
263.07846	0.6
277.21762	5.1
309.20795	1.6
327.21912	4.6
368.14206	0.6
595.69330	0.8
823.47089	100.0
829.31769	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4857
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60544	1.1
59.01380	100.0
71.01375	43.3
73.02936	7.2
73.37696	1.2
78.16993	1.2
83.01373	2.2
85.02952	13.3
87.00909	1.7
88.38660	1.4
89.02437	45.1
95.01398	2.5
99.00871	1.4
101.02433	29.7
113.02439	29.2
113.43646	1.3
119.03498	17.8
133.79471	1.2
150.23038	1.3
155.19252	1.5
161.04523	1.8
179.05667	1.5
215.39157	1.4
615.37720	1.8
675.39850	7.5
693.41107	7.6
731.32391	1.6
735.42181	5.3
763.46429	46.1
763.59076	2.3
779.39044	1.8
781.47235	22.8
823.48706	93.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.1893
Annotation	Pelargonidin 3-(6''-p-coumarylglucoside)-5-(4'''-malonylglucoside)
Peak:m/z	Relative Intensity
63.27997	0.9
117.62585	0.9
119.05028	1.7
137.47128	0.8
145.02934	9.3
163.03998	1.2
165.01875	2.2
176.60809	1.0
177.88162	0.9
201.89561	1.0
216.52888	1.1
219.10017	1.0
224.79951	0.9
225.35387	1.0
255.02888	3.8
269.04385	1.1
283.02499	56.6
298.04840	100.0
299.05682	9.3
322.77768	1.1
386.83621	1.0
617.15247	16.5
635.16364	15.0
781.19916	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	825.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74406	0.3
59.01382	2.5
62.70501	0.3
71.01338	0.6
72.46348	0.3
74.95152	0.3
75.48274	0.3
88.98819	0.4
89.02452	0.5
101.02420	0.5
106.58263	0.3
111.38121	0.3
113.02463	0.6
117.03465	3.7
119.05001	2.7
131.39270	0.3
143.97249	0.3
145.02953	24.9
163.03993	1.6
165.01900	2.7
255.03036	5.0
256.03787	0.5
269.04495	0.6
271.06241	2.6
283.02499	56.4
284.03271	3.7
298.04849	100.0
299.05609	11.5
308.81635	0.4
401.82819	0.4
441.05264	0.3
510.15204	0.4
617.15143	12.3
627.49841	0.4
635.16254	14.0
642.77112	0.4
765.44025	0.7
781.19940	54.1
825.41638	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.1894
Annotation	Monodemalonylmonardaein
Peak:m/z	Relative Intensity
58.40399	0.4
59.01377	0.6
62.77709	0.4
66.89104	0.4
78.87067	0.4
92.16750	0.4
92.23122	0.6
95.92434	0.4
117.03404	0.9
119.05017	4.5
122.65246	0.5
128.78856	0.4
145.02936	11.1
160.34944	0.5
163.03943	3.2
165.01904	3.6
168.52449	0.5
200.50977	0.5
244.11632	0.5
255.03021	5.6
269.04410	0.9
271.05948	0.8
283.02490	61.1
284.03238	2.7
298.04846	100.0
299.05670	8.8
312.06091	0.6
378.38293	0.6
388.26205	0.6
581.99951	0.5
617.15173	11.9
635.16199	8.8
781.19946	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	825.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
67.07066	1.2
71.01373	2.9
72.68787	1.2
80.64851	1.1
86.00122	1.2
93.95764	1.0
99.00866	2.5
99.92579	19.7
100.93359	20.4
102.58897	1.2
115.92080	22.6
116.92860	70.8
130.42984	1.2
142.94417	2.2
156.95987	5.3
168.95961	1.8
170.93846	1.8
173.96204	1.8
183.13936	2.0
186.17953	1.3
226.96539	2.2
244.97607	1.8
279.23337	15.7
281.04800	2.0
285.00665	6.9
309.04388	1.9
310.05267	2.2
318.00476	2.8
363.16330	2.2
395.15286	1.7
789.35437	14.2
807.36963	2.6
825.37500	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.3926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	49.5
60.99304	8.3
67.09968	1.0
71.01374	21.9
72.99304	1.2
73.02926	8.8
75.00862	4.9
81.02551	1.1
82.31322	1.1
83.01389	1.6
85.02934	10.8
86.09412	1.1
88.98798	72.1
89.02437	15.9
92.22523	1.6
95.01366	2.1
99.00894	11.7
101.02457	14.9
113.02436	19.2
119.03482	5.2
138.29475	1.1
161.04552	4.7
166.46217	1.1
223.06364	1.3
249.91818	1.3
321.63535	1.2
357.19080	2.4
423.23175	1.4
439.32269	2.8
487.34055	8.2
529.35590	1.6
569.35291	1.7
601.37921	10.8
619.38977	2.7
631.38751	6.5
645.36707	7.0
649.39685	5.6
691.40704	44.7
705.03998	1.4
715.76367	1.3
765.44794	10.8
825.42963	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	12.0
62.02162	0.5
69.03449	0.4
71.01004	0.8
71.01376	14.5
71.11232	0.4
72.99294	3.2
73.02938	2.4
75.00867	14.3
75.83109	0.5
83.01379	0.8
85.02477	0.7
85.02946	13.0
87.00861	4.0
89.02429	8.9
95.01385	1.0
97.02927	1.2
99.00872	6.3
101.02436	7.0
111.00837	4.3
113.02444	27.6
115.00367	1.1
117.01929	0.9
119.03477	2.4
129.01929	0.6
131.03491	6.5
133.01401	0.5
142.68211	0.4
143.03484	0.6
144.63312	0.4
145.02986	0.5
148.19272	0.5
149.04465	0.5
157.01418	1.1
161.04459	0.5
173.04538	8.3
175.02419	1.8
182.73627	0.5
191.05649	3.6
193.03522	0.9
193.76199	0.5
199.71365	0.6
258.80466	0.5
283.02496	2.9
298.04800	5.1
299.05743	1.2
476.52438	0.5
490.43512	0.5
617.15027	0.8
635.16406	0.6
637.34863	0.5
651.41138	0.9
765.44269	0.8
781.19641	2.1
825.42883	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	825.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	43.8
60.99306	1.0
62.54405	0.6
63.67374	0.5
71.01376	16.3
72.99303	0.6
73.02934	6.1
75.00877	5.9
83.01382	1.4
85.02945	11.2
87.00867	1.0
88.98799	22.2
89.02446	10.2
92.23148	0.7
95.01369	3.2
99.00859	11.3
101.02435	12.9
113.02430	15.5
119.03468	4.7
125.02486	0.7
139.00380	1.2
157.01440	1.4
161.04504	3.2
167.28522	0.9
207.01271	0.7
215.17123	0.7
221.06551	0.7
291.45880	0.7
315.18192	3.0
357.19193	10.9
423.22299	3.8
439.32193	3.9
485.32834	2.7
487.34390	9.7
529.35431	0.9
569.34827	2.3
601.37372	8.6
614.17590	0.7
619.38489	1.4
631.38702	2.6
645.36444	10.1
649.39807	1.0
691.40826	14.1
729.59863	0.8
746.35736	0.7
765.44202	3.4
825.42883	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	825.429
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
71.01376	5.5
73.02965	0.7
78.59378	0.8
85.02947	1.9
89.02447	3.6
101.00721	0.8
101.02424	4.1
113.02454	2.9
129.10387	0.8
145.02922	1.6
165.01955	0.9
221.64954	0.9
283.02545	12.7
283.05536	1.4
298.04886	19.8
299.05621	1.4
353.81665	0.9
394.00839	1.2
493.71692	0.8
617.15057	1.3
677.42651	3.2
695.44012	6.0
737.44952	38.9
765.44257	4.9
781.19922	9.6
825.43555	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	825.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.0
71.01373	1.6
101.02390	1.1
113.02443	1.6
113.26424	0.9
134.03729	17.0
136.87605	0.9
149.06062	5.8
160.01660	26.2
161.02475	3.6
165.05629	2.2
175.04001	88.4
176.04820	1.3
191.07178	5.4
193.05063	43.3
207.06630	2.2
213.39456	1.0
223.06126	4.0
235.06082	10.6
283.02438	4.1
298.04840	5.0
654.40906	1.1
706.85535	1.1
781.20386	1.8
781.42426	1.9
825.44550	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4645
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	76.5
64.56101	0.6
71.01378	24.6
71.21775	0.6
73.02941	7.1
83.01381	3.0
85.02955	10.6
87.00855	1.3
87.04526	2.8
89.02435	13.9
92.22463	0.7
95.01373	3.3
99.00869	1.4
101.02442	17.6
113.02438	17.2
119.03506	7.1
125.02444	0.9
128.64584	0.6
130.80981	0.7
131.03481	3.3
143.03455	1.3
159.03020	1.4
161.04575	6.2
175.08356	0.7
179.05595	1.1
203.05388	0.9
221.06683	2.9
401.30756	0.9
435.57236	0.7
489.35733	2.3
613.77283	0.8
765.30389	1.2
765.44470	52.0
783.45416	27.8
825.46582	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	50.7
71.01377	23.1
73.02956	0.8
78.69897	0.5
83.01408	0.7
87.00867	2.1
89.02437	29.9
95.01396	0.9
101.02425	13.8
111.00839	4.7
113.02435	11.6
115.84242	0.6
119.03476	11.9
120.33044	0.6
157.71274	0.6
161.04556	0.9
179.05618	4.5
197.77742	0.7
279.43085	0.6
283.02658	2.4
298.04770	4.0
299.05707	4.4
448.71423	0.6
472.88797	0.8
637.15729	2.8
765.44366	100.0
781.38409	1.0
825.42688	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	825.465
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99376	0.8
59.01382	32.3
71.01379	34.2
73.02941	14.7
75.45057	0.9
75.91042	1.0
83.01394	7.4
85.02944	21.7
87.00881	1.6
87.79128	0.7
89.02432	5.1
91.66509	0.9
95.01391	5.2
97.02930	1.7
97.77264	1.0
99.00906	7.5
101.02438	26.0
111.00869	4.3
113.02443	19.0
119.03505	1.6
125.02417	5.7
125.27005	0.8
131.03508	0.9
136.65431	0.8
143.03493	4.4
155.03516	1.2
161.04546	4.0
168.64534	0.9
170.33035	1.0
310.68921	1.1
338.04593	1.2
397.27454	1.3
415.28793	1.7
450.09555	1.1
489.35706	3.6
688.63165	1.2
717.42334	1.1
765.44434	43.3
783.45435	100.0
825.31256	1.5
825.46527	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	825.4646
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	44.3
69.03452	1.2
71.01379	37.3
72.99278	0.6
73.02947	14.1
75.00887	0.6
83.01390	6.8
85.02947	23.4
87.00861	1.0
89.02435	9.4
95.01379	4.4
97.02950	2.5
99.00883	7.3
101.02443	30.6
105.14913	0.5
111.00874	2.3
112.01711	0.6
113.02444	21.5
119.03490	2.5
125.02446	2.8
131.03467	0.7
134.08121	0.5
143.03481	2.2
159.02979	2.2
161.04559	6.0
237.13461	0.6
383.29614	0.6
390.71097	0.6
397.27499	1.0
401.30649	1.2
415.28610	1.1
453.33762	0.7
479.99777	0.5
489.35800	6.2
528.97839	0.6
717.42578	1.0
736.99365	0.6
765.44421	32.4
783.45471	100.0
825.46545	51.5
827.97681	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	20.5
67.12576	2.3
68.83910	1.8
71.01375	23.6
73.02940	9.0
80.01913	2.4
85.02939	10.3
88.23839	2.0
89.02431	20.0
90.45912	2.4
99.00890	2.6
101.02454	18.6
111.17182	2.0
112.76043	1.9
113.00823	2.0
113.02447	18.3
119.03505	10.0
122.53892	2.7
131.03500	13.3
161.04590	19.9
179.05608	4.6
196.46788	2.3
221.06674	13.2
253.78348	2.4
471.34607	5.2
765.44385	100.0
783.45587	4.2
825.46704	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	825.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
99.04512	45.6
105.07949	6.5
117.95986	6.8
125.02431	37.4
294.14996	7.6
554.34259	7.9
681.30847	8.6
735.12555	7.4
755.14648	7.4
772.70093	7.3
825.49103	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.4603
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	22.2
63.45260	1.0
71.01374	35.6
73.02931	13.9
83.01387	5.8
85.02936	19.6
89.02436	9.0
89.54070	1.3
92.22530	1.5
95.01369	2.6
99.00870	3.3
101.02438	30.8
113.02447	22.5
119.03479	1.6
131.03474	1.6
136.64691	1.3
161.04527	6.4
171.37723	1.2
178.32074	1.2
187.91801	1.4
257.24948	1.3
373.56735	1.6
397.27249	1.8
490.36075	2.3
766.44568	11.3
783.45428	100.0
784.45880	35.2
826.46735	19.1
829.08435	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	826.5589
Annotation	Docosahexaenoyl PAF C-16
Peak:m/z	Relative Intensity
66.58314	0.5
85.93123	0.5
130.08679	0.7
169.38887	0.6
273.59677	0.6
400.63608	0.8
778.12537	0.6
790.58710	0.9
801.28595	0.7
826.55847	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	827.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40353	0.5
59.01148	0.5
59.01383	6.3
69.03445	2.7
69.85435	0.5
71.01373	7.6
75.00862	3.8
85.02943	10.8
87.04510	5.8
89.02436	5.6
95.01368	1.1
99.00874	10.2
101.02419	0.8
113.01654	1.2
113.02440	33.1
131.03497	8.8
139.00374	0.8
157.01466	0.8
203.26135	0.6
238.08722	0.7
301.20438	0.6
339.23297	2.8
365.28421	1.1
375.25537	0.8
387.25436	9.4
397.38739	0.7
413.30542	3.7
439.28250	0.8
457.29443	0.8
475.30612	3.5
501.28656	3.1
519.30066	5.8
545.27484	1.1
571.32721	1.2
809.36115	2.6
827.37164	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.6
63.38275	0.3
68.99821	0.5
71.01374	6.9
72.99303	0.5
73.02939	0.7
75.00879	3.2
75.67646	0.3
83.01389	0.4
85.02950	7.5
85.74940	0.4
86.97870	0.3
87.00888	0.6
89.02436	5.7
89.40909	0.4
92.23059	0.4
95.01384	2.3
99.00871	10.2
101.02439	6.0
112.01653	0.5
113.02443	8.5
115.00331	0.4
119.03480	1.5
122.38686	0.4
129.56015	0.3
130.08694	0.4
139.00395	0.8
157.01404	1.4
161.04651	0.4
175.04097	0.4
205.05222	0.5
225.16104	1.4
264.48456	0.3
283.02481	2.0
284.03214	0.7
285.04013	1.6
357.50159	0.3
377.28412	0.4
423.29132	0.7
427.32257	0.6
441.30045	0.5
464.21255	0.3
471.31186	1.9
489.32394	3.4
541.35284	0.4
553.32452	0.6
571.32629	1.5
585.34222	0.6
603.35406	1.5
647.34747	3.4
744.39795	0.3
791.59949	0.6
827.40717	78.4
827.56287	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	6.0
59.95502	0.2
69.03426	0.3
71.01376	11.3
72.99310	1.6
73.02945	1.8
74.90332	0.3
75.00868	16.5
83.01379	1.4
85.02943	16.1
87.00868	4.7
89.02434	2.8
92.23060	0.3
94.08140	0.2
95.01365	1.9
95.25079	0.2
97.02937	1.1
98.22171	0.3
99.00875	6.6
101.02435	5.2
103.00349	0.5
111.00872	5.0
112.01630	0.3
113.02441	25.6
115.00349	2.0
117.01915	1.0
119.03513	0.4
125.02462	0.3
129.01938	0.9
131.03505	3.0
134.03734	2.4
137.20128	0.2
149.04659	0.3
149.06070	0.3
151.04025	0.4
157.01408	1.1
159.03099	0.4
161.04553	0.5
173.04538	4.3
174.50800	0.2
175.02557	2.2
191.05653	1.2
193.03465	1.0
193.05066	3.0
209.77414	0.3
215.05640	0.4
235.04601	1.0
248.57898	0.3
273.73480	0.2
284.37585	0.2
298.04840	0.5
299.05582	1.3
373.45099	0.2
413.30548	1.5
473.32968	0.3
489.36005	1.8
665.95703	0.3
709.42047	0.4
718.43823	0.3
764.79681	0.3
783.40179	1.1
827.44415	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	6.8
62.74297	0.3
71.01014	0.6
71.01379	11.7
72.99303	1.8
73.02929	1.4
75.00869	16.4
81.69898	0.3
83.01385	1.4
85.02943	18.1
87.00877	5.1
89.02440	3.7
95.01368	0.8
97.02959	0.5
99.00874	7.1
101.02444	4.6
103.00330	0.8
111.00890	0.6
112.01590	0.4
113.02441	27.9
114.27385	0.4
115.00365	2.2
117.01924	1.7
119.03474	0.7
127.12878	0.4
129.01953	0.7
131.03517	2.7
147.34290	0.4
148.86377	0.3
149.04597	0.5
157.01358	1.3
161.04555	0.6
173.04514	4.0
175.02460	2.2
189.68001	0.4
191.05560	1.9
193.03461	1.4
235.04678	0.5
311.34323	0.4
314.04352	0.6
315.05157	0.6
385.76437	0.4
413.30707	1.9
487.34598	1.3
489.35892	3.3
536.87476	0.4
623.13879	0.4
639.35577	0.5
653.67456	0.5
709.41650	0.7
827.44409	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	827.4812
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20303	1.3
59.01097	2.6
59.01381	43.4
66.54778	1.3
69.37847	1.2
71.01377	23.2
83.01378	2.4
85.02956	6.0
89.02438	26.8
101.02439	16.2
113.02439	17.3
119.03493	8.4
391.68878	1.6
491.37296	7.3
554.88135	1.8
590.95642	1.4
767.46008	100.0
785.47198	17.5
827.47876	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	827.4809
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	9.0
71.01374	25.0
73.02939	9.3
83.01378	4.8
85.02944	15.8
89.02430	5.8
99.00877	1.9
101.02428	17.2
113.02439	9.4
129.77950	1.3
144.85278	1.2
161.04573	1.6
172.58992	1.1
202.76318	1.4
382.55072	1.3
767.45929	100.0
784.44714	1.6
785.46484	4.9
827.47198	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	827.4811
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	12.7
66.59314	0.3
71.01376	27.1
72.99279	0.6
73.02942	8.0
81.38140	0.3
83.01390	4.3
85.02946	15.5
87.00869	0.5
89.02432	5.4
95.01369	1.9
99.00883	4.1
101.02438	20.5
113.02448	13.4
119.03477	2.8
131.03490	0.6
136.88422	0.4
143.03447	0.4
159.02962	0.8
161.04523	2.4
168.14090	0.3
173.74741	0.4
175.11613	0.4
175.28706	0.4
206.11314	0.4
301.60059	0.4
304.99136	0.4
313.08139	0.4
375.25861	0.4
469.25272	0.4
605.03125	0.4
662.63538	0.4
767.45941	100.0
827.47888	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	827.4819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.6
61.20766	0.6
71.01381	24.4
73.02941	9.7
79.14027	0.8
83.00946	0.8
83.01369	5.3
83.75054	0.7
84.62074	0.7
85.02950	14.9
87.04518	1.2
89.01947	0.7
89.02435	6.1
95.01389	1.5
99.00903	3.5
101.02441	21.3
113.02447	14.1
127.67049	0.7
131.03532	1.1
138.52625	0.6
138.89508	0.8
159.03008	1.4
159.39923	0.8
161.04575	3.1
207.39955	0.7
378.46378	0.8
473.36667	3.2
767.45978	100.0
852.91382	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	11.4
61.24271	0.8
71.01378	33.2
73.02943	10.0
83.01377	4.7
83.82348	0.9
85.02952	17.9
87.04516	1.5
89.02441	4.5
93.86996	1.0
95.01379	2.0
99.00887	3.9
101.02444	24.0
104.39872	0.9
113.02442	13.8
118.05109	1.3
119.03520	1.6
134.55522	1.1
138.73843	1.1
144.15556	1.0
144.49545	1.1
159.03090	0.9
161.04498	5.4
173.07846	1.0
175.08408	1.3
209.15431	1.7
223.16998	1.1
227.41116	0.9
251.16585	1.4
257.65778	1.1
320.30563	1.1
327.21902	8.1
393.46335	1.1
467.51862	1.3
477.46796	1.2
766.88013	1.3
767.45984	100.0
784.11047	1.0
827.45770	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	829.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
79.47744	0.3
85.02940	0.4
89.36932	0.3
89.99116	0.3
92.65449	0.3
93.03442	4.8
99.02103	0.3
101.02431	0.7
113.02436	0.4
113.67762	0.3
136.01691	0.4
137.02441	13.3
137.03496	0.5
151.00368	0.8
151.03987	0.4
165.01923	23.8
178.02594	0.4
179.03494	1.9
212.04716	0.3
239.05573	0.7
240.04266	4.4
243.06738	1.2
255.03015	1.3
255.06642	2.1
256.03870	1.3
257.04523	0.4
271.06131	25.7
281.04108	0.4
281.06732	5.6
283.02490	11.3
284.03287	29.9
285.04208	2.3
297.04156	1.3
298.01395	0.5
298.04840	23.2
299.05634	95.6
359.03659	0.4
365.46463	0.4
503.11954	6.2
581.13074	100.0
717.39374	0.4
785.19464	8.4
791.93292	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	1.3
68.22623	0.3
71.01375	0.9
89.02450	0.5
89.15847	0.4
109.02956	0.9
140.78448	0.4
152.01143	9.5
153.01836	0.4
165.01945	0.9
241.07167	0.8
255.03070	1.8
271.06088	1.6
283.02478	26.0
284.03351	1.5
297.03958	0.4
298.04846	100.0
299.05646	11.4
308.71475	0.4
310.14764	0.4
399.09393	0.9
417.10522	4.9
507.67438	0.4
607.16766	73.2
736.81128	0.4
829.27753	10.0
829.42902	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	11.0
69.03482	1.3
71.01379	7.3
72.99313	1.5
73.02969	1.1
75.00874	8.9
82.33426	1.0
83.01414	1.2
85.02960	10.0
87.00880	6.1
93.03451	1.2
95.01369	2.1
96.95979	1.1
97.54337	1.3
98.88746	1.5
99.00870	5.2
101.02396	1.8
111.00816	1.3
113.02446	27.0
117.01859	1.9
117.03462	1.4
129.01912	1.9
134.03732	16.3
149.06065	5.6
154.78333	1.2
161.02412	1.9
163.03986	1.7
165.05560	4.9
175.03984	8.3
178.23073	1.3
193.05049	39.7
195.06703	2.2
195.79279	1.2
208.03801	2.3
209.06685	1.5
221.08243	1.8
223.06087	2.7
246.82916	1.1
249.06145	19.5
267.07120	43.0
355.10394	1.9
443.11990	100.0
623.19818	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	829.4608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	14.0
59.08020	1.7
59.29833	1.4
62.17614	1.2
65.11597	1.5
66.44816	1.1
71.01384	28.6
73.02940	9.5
75.40197	1.6
82.73197	1.5
83.01377	2.7
85.02937	14.9
89.02439	7.7
95.01366	2.3
99.00893	1.8
101.02437	22.5
104.07864	1.5
110.28680	1.4
113.02426	13.5
119.03392	1.8
159.03001	1.8
174.03539	1.6
270.18430	1.7
338.89172	1.9
430.27762	2.2
430.33408	1.7
485.53833	1.7
769.47278	79.6
783.44958	3.5
829.46075	100.0
830.23547	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	829.4968
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	10.6
62.39587	0.3
71.01378	31.3
71.95487	0.4
72.99289	0.6
73.02943	11.6
78.98835	0.3
80.17265	0.3
83.01378	5.9
85.00911	0.4
85.02947	17.2
86.21078	0.4
87.00861	0.6
89.02433	5.4
95.01369	2.7
97.02937	0.4
99.00877	3.9
101.02441	24.1
113.02441	15.6
116.36060	0.4
119.03466	2.1
123.62301	0.4
124.26173	0.4
125.02462	0.5
131.03526	0.5
140.10942	0.4
143.03581	0.6
149.76286	0.4
159.02977	1.0
161.04576	3.2
254.00533	0.4
473.36307	0.7
592.27765	0.5
692.10388	0.5
769.47534	100.0
783.44788	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	11.3
71.01378	27.7
73.02940	8.3
74.96515	0.9
83.01382	3.3
85.02950	14.2
89.02413	5.9
89.09928	0.9
99.00883	2.8
101.02439	23.8
101.03076	1.5
113.02449	11.9
119.03487	1.3
137.91141	0.8
159.02975	1.2
161.04527	3.6
246.11731	0.8
251.53998	0.8
376.16748	0.9
769.47528	100.0
783.45355	1.6
829.46063	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	831.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	26.6
63.15506	0.3
71.01377	2.1
72.34033	0.3
73.02949	0.5
83.29317	0.4
85.02944	0.9
89.02439	0.7
95.85011	0.4
99.00851	0.4
101.02443	4.8
113.02431	1.6
121.02894	0.5
122.03742	2.0
133.02916	0.5
149.02444	9.7
150.03220	34.7
151.04010	0.5
159.02937	0.5
160.88995	0.4
161.04541	2.0
163.03940	0.6
164.04797	8.7
165.05563	94.3
177.05591	0.5
180.04277	5.4
190.06409	1.5
191.34825	0.4
195.04826	0.7
195.06636	19.8
203.07143	0.7
222.05325	0.5
297.11221	0.7
308.10483	1.8
309.07898	1.3
309.11166	0.5
311.09174	0.8
322.08441	2.3
323.09451	3.9
323.12857	0.7
324.06583	0.6
324.09949	4.1
325.10873	2.9
326.11588	6.1
327.08737	5.5
337.10654	0.7
338.11591	2.5
339.08798	16.2
339.12457	2.7
341.10358	0.9
341.13858	4.0
342.11157	12.6
354.11118	8.8
356.12775	0.4
357.13443	13.9
369.13467	15.7
371.20901	1.7
373.22321	2.5
415.23364	17.8
457.12845	0.8
461.16180	2.3
472.15247	2.2
474.16705	0.6
475.17960	0.7
487.17548	2.3
489.15515	1.5
490.16287	1.8
505.18976	3.7
517.18433	3.0
520.17682	0.5
535.19781	12.6
565.20673	3.2
583.21942	100.0
625.22937	0.8
831.27722	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.4
60.01286	1.1
71.01344	0.9
74.35108	1.0
78.27913	1.1
109.89056	1.0
113.02461	1.0
136.01654	2.0
149.02434	1.6
150.03221	39.0
151.00464	1.2
151.03969	12.9
164.04837	1.8
165.05557	100.0
166.02681	2.4
180.04260	6.3
181.05034	11.5
189.10402	1.1
195.06630	30.3
197.88092	1.0
299.17789	1.2
342.11353	1.3
357.09628	1.4
357.13440	2.6
372.11902	2.6
387.14520	13.7
392.90350	1.2
583.21869	51.3
622.94800	1.2
643.15271	4.2
787.29498	7.9
831.40833	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	831.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	29.6
71.01364	12.2
73.02946	26.5
83.01384	6.7
85.02985	2.0
87.25443	1.6
89.02423	2.5
96.77998	1.6
101.02447	19.7
107.82891	1.5
113.02425	9.2
119.03488	1.8
122.03708	6.2
131.03516	1.5
135.04507	2.5
136.01617	2.7
149.02443	11.2
150.03229	51.6
151.04008	19.6
161.04530	9.0
163.03970	2.4
164.04797	5.9
165.05562	100.0
166.02678	3.3
180.04250	3.9
181.05109	14.4
190.06374	5.7
195.06651	27.6
245.24046	1.5
250.04617	1.7
315.08847	2.9
323.09369	3.5
324.09961	1.8
329.10471	1.7
339.08777	16.7
354.11011	9.0
356.12524	1.8
357.13483	3.3
369.13394	19.1
372.12213	3.8
387.14554	11.0
444.76694	1.5
517.18958	5.4
535.19696	24.6
565.20520	2.0
583.21991	60.2
656.67792	1.9
787.28412	46.0
804.56586	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	831.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.9
73.58713	0.7
93.07369	0.7
101.02462	0.7
150.03223	1.0
165.05522	2.7
195.06509	0.8
346.27399	0.7
403.13400	0.7
497.69376	0.8
586.78149	0.8
795.45709	3.8
831.42975	100.0
851.71918	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01370	4.6
76.48036	0.3
92.49061	0.4
94.08395	0.3
94.83795	0.3
115.00356	3.7
121.02946	35.0
151.00359	2.3
176.29471	0.4
178.99847	0.8
193.05095	0.4
204.98740	0.4
208.02711	0.3
237.04089	6.7
255.02919	3.7
264.31702	0.4
271.02472	5.7
272.03247	0.4
299.02115	0.8
300.02777	100.0
301.03555	7.0
321.19986	0.4
523.69922	0.4
580.71466	0.4
595.13116	66.7
782.58887	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
68.52677	1.7
72.99278	1.7
75.48172	1.6
83.70793	1.6
98.57055	1.7
108.02170	8.9
113.02419	2.5
123.04521	16.4
134.03761	10.6
149.06105	2.5
150.03217	8.3
152.01151	36.1
160.01643	2.1
163.22552	1.6
164.04808	2.1
165.05565	15.3
167.03499	100.0
175.03957	7.9
178.02702	7.1
185.56660	1.8
193.05092	17.8
195.06635	4.2
389.12598	2.5
419.44962	1.7
443.12018	17.4
637.17932	9.2
833.25116	52.4
833.38977	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	833.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.4
93.03431	0.4
94.39715	0.3
102.02362	0.3
110.61378	0.3
119.64206	0.4
122.38104	0.4
165.01921	16.2
165.12859	2.0
177.12341	0.4
183.13907	8.0
203.14444	0.5
207.13818	0.6
221.15576	0.7
227.12930	2.0
231.13727	0.4
233.11870	1.9
240.04311	3.5
251.12848	1.4
255.03157	1.5
255.06612	1.4
256.03906	0.8
265.14413	2.4
271.03229	0.7
271.06146	17.6
275.12967	0.4
283.02466	11.5
283.15213	0.4
284.03299	8.9
293.13937	2.7
298.04855	41.6
299.05637	100.0
341.06561	0.5
371.17123	5.9
461.10999	14.9
525.62317	0.4
550.47260	0.5
653.22748	0.6
671.23547	26.0
695.24280	0.6
725.74402	0.4
833.28827	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	833.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.5
59.20051	0.2
66.10999	0.3
71.01364	0.3
72.44087	0.4
72.44608	0.3
73.85789	0.3
79.95731	2.2
89.02451	0.3
89.96398	0.3
94.98086	1.4
96.96004	100.0
101.02436	0.6
113.02439	0.4
114.93411	0.5
119.22299	0.3
121.00535	0.3
122.02072	0.3
126.56973	0.3
135.48810	0.3
195.68224	0.3
299.05875	0.6
313.48364	0.3
382.64218	0.4
691.40826	1.7
833.46893	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	833.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
68.84979	0.9
70.38783	0.9
73.54910	0.9
116.23929	1.0
141.01695	87.2
192.74168	1.1
296.36588	1.1
394.27255	1.2
569.33832	1.4
611.18988	1.1
691.40912	1.9
713.37085	5.8
773.40179	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	833.4343
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97887	5.0
59.01378	58.2
63.44584	4.7
71.01378	76.1
73.02950	21.2
74.95943	6.1
85.02941	70.4
89.02443	14.2
95.01357	7.7
101.02455	29.4
113.02448	89.5
138.65276	5.4
160.88188	5.7
161.04504	10.3
206.75247	5.9
244.85143	5.8
290.47940	6.0
299.05768	24.7
354.69070	6.2
539.73206	6.7
611.35980	11.7
629.37427	9.2
671.38989	8.6
672.07349	6.2
773.41541	9.9
791.42310	26.2
833.44366	100.0
863.24170	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	833.4962
Annotation	Unknow
Peak:m/z	Relative Intensity
69.67220	0.6
77.95864	0.5
78.95902	28.6
96.96954	3.3
97.36656	0.6
115.79927	0.7
117.66413	0.6
147.06197	0.6
152.99580	100.0
165.15279	0.6
167.01112	3.2
167.22499	0.6
171.00658	2.7
201.22166	0.6
211.13420	0.6
247.69855	0.6
255.23296	26.7
293.21515	1.4
340.60681	0.7
409.23645	57.7
423.25320	12.9
607.62415	0.6
630.44067	0.8
833.51489	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	833.5435
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	9.3
60.17423	0.2
66.07983	0.1
71.01380	0.4
74.13225	0.2
76.08304	0.2
87.00900	0.2
89.02450	0.8
101.02432	0.9
113.02448	0.4
129.15366	0.2
161.04559	0.4
195.83359	0.2
233.22588	0.3
235.08260	1.2
253.09297	2.7
259.20490	0.2
275.20209	0.4
277.21750	100.0
296.36374	0.2
306.91995	0.2
316.48492	0.2
513.30731	5.9
525.52106	0.2
773.52533	0.3
780.78430	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	833.5638
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.9
63.18206	0.3
63.20653	0.3
66.05087	0.3
71.01362	0.5
74.85669	0.3
85.02972	2.7
88.03695	0.3
96.95989	0.4
97.06578	3.2
101.02409	0.4
165.12825	0.6
171.10243	5.3
183.13863	3.3
185.11815	1.5
193.12291	0.9
197.11783	0.4
209.11884	1.7
211.13403	26.0
221.11792	3.5
229.14442	25.2
239.12874	3.2
255.02916	0.4
283.02411	7.8
284.03134	2.3
291.19705	4.8
298.04849	12.0
299.05481	2.4
309.20383	1.1
327.21793	100.0
328.22260	0.5
331.99149	0.4
505.34015	2.4
514.84821	0.4
528.54022	0.4
617.15100	0.8
635.16577	0.7
661.68909	0.4
779.86682	0.5
789.22992	3.9
811.20721	0.7
812.22046	0.4
833.42444	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.5881
Annotation	Unknow
Peak:m/z	Relative Intensity
66.96568	0.5
78.70695	0.7
92.22355	0.7
92.66811	0.7
112.07680	9.5
113.06088	3.1
129.10342	6.1
130.08728	13.7
145.35640	0.7
196.84827	0.7
207.14984	4.7
208.13445	1.6
212.17294	0.8
224.17680	1.6
225.16075	28.6
320.23447	3.0
337.26056	4.5
338.24454	9.0
406.79770	0.8
429.03467	0.7
433.31714	2.9
450.34436	4.3
451.32742	5.4
546.40417	1.1
563.42560	1.6
564.41150	1.1
676.51239	1.3
772.57458	7.1
790.58215	100.0
833.58923	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	835.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.8
60.99059	0.7
63.47237	0.7
96.57011	0.7
116.97238	2.9
165.01921	21.2
190.90248	0.8
219.55797	0.7
240.04292	3.7
243.06728	1.2
255.03093	1.4
255.06345	1.2
271.06097	21.8
283.02505	19.3
284.03250	11.5
295.06317	0.8
297.04013	3.0
298.04849	34.0
299.05630	100.0
341.06760	1.5
471.66266	0.8
503.12039	21.6
587.21356	41.6
781.55463	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.8
64.70561	0.4
69.03460	0.4
69.41006	0.3
71.01375	5.2
72.99293	1.7
74.87357	0.3
75.00873	5.9
81.81322	0.4
85.02942	7.7
86.89867	0.3
87.00880	3.1
87.01320	0.4
89.02427	2.5
91.04019	0.4
95.01356	2.7
99.00877	4.6
101.02454	0.5
103.00349	1.8
111.00864	0.4
113.02437	17.3
115.00368	0.7
116.03181	0.4
117.01936	2.1
117.03440	0.8
129.01958	0.9
131.03520	0.5
134.03731	12.3
134.25841	0.4
135.04538	1.5
149.06088	4.7
153.16977	0.5
160.04051	0.6
161.02490	0.8
163.04036	0.6
165.04073	0.5
175.02454	1.5
175.04008	5.5
179.03513	0.9
191.05492	0.4
193.05067	30.3
195.06732	0.8
205.06935	0.4
207.05080	0.9
219.05272	3.8
231.05093	1.8
249.06169	15.5
251.04347	1.9
252.06517	0.5
253.07248	0.6
267.07138	33.9
299.01965	0.8
300.02423	1.0
341.11404	2.3
383.09860	0.5
391.15198	1.4
399.12756	0.5
443.12000	100.0
826.81128	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	5.7
61.25453	0.6
71.01369	12.5
72.99306	10.0
73.02935	1.2
75.00862	8.8
76.30435	0.6
85.02940	15.3
86.06831	0.6
87.00867	3.6
89.02432	5.1
90.41048	0.7
95.01365	3.9
96.96000	3.7
99.00877	8.6
99.11923	0.6
101.02450	4.4
103.00394	7.1
104.32494	0.6
104.72211	0.6
113.02444	33.5
115.00347	1.1
115.86768	0.7
117.01923	1.6
129.01950	1.0
131.03450	3.0
133.01443	1.0
157.01447	2.8
175.02461	8.9
193.03549	16.3
235.04437	1.4
260.70712	0.6
266.32986	0.7
274.12085	0.6
289.05496	1.2
332.37085	0.6
351.05725	19.4
439.33017	0.7
483.30847	1.0
636.32837	0.7
835.37622	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.2
60.48626	0.2
68.24338	0.2
70.11098	0.2
77.32025	0.2
78.95909	0.4
79.95728	1.8
94.98072	1.8
96.96001	100.0
98.90662	0.5
101.02447	0.5
113.02443	0.3
114.93393	0.9
125.96869	0.3
195.29506	0.3
238.15555	0.3
249.85071	0.3
270.52698	0.3
693.41919	0.5
791.35791	0.3
806.09369	0.3
835.36169	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	835.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01105	0.6
59.01384	14.1
59.57983	0.3
69.03443	0.5
71.01012	0.6
71.01381	15.2
72.99301	0.6
73.02942	2.5
75.00871	10.8
83.01378	0.7
85.02480	0.7
85.02953	12.6
87.00868	2.4
87.01337	0.4
89.02439	9.8
95.01398	4.2
96.16543	0.4
99.00878	15.5
101.02446	13.3
107.77819	0.4
111.00836	0.4
112.01634	0.9
113.02454	19.4
114.25790	0.4
115.00317	0.7
119.03484	4.6
122.14165	0.4
128.11984	0.4
129.01924	0.7
131.03430	0.5
139.00360	0.8
157.01401	2.1
191.69751	0.4
199.96635	0.4
241.09615	0.4
291.23688	0.4
311.20422	0.4
312.41290	0.4
363.27002	4.0
395.25522	0.5
405.23117	0.4
405.27960	3.2
409.27579	0.6
411.29095	15.4
453.30228	11.9
489.93176	0.4
515.89008	0.5
525.32056	4.5
525.39081	0.5
543.33240	0.6
567.32965	2.6
569.30981	3.4
611.32141	1.9
683.84540	0.4
744.25793	0.4
775.42224	0.9
791.38629	0.9
835.37561	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	835.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00261	0.2
58.50687	0.2
59.01392	3.6
59.83575	0.2
71.01393	2.0
73.02959	1.0
79.95735	2.0
85.02956	1.2
88.16148	0.2
89.02458	2.0
92.23084	0.3
94.98088	0.8
96.96003	100.0
98.90659	0.5
101.02442	1.5
104.94501	0.2
113.02431	1.6
113.92646	0.4
114.93435	0.4
119.03464	0.3
139.48141	0.2
165.01933	0.3
175.02562	0.2
179.05661	0.3
183.90480	0.2
234.78947	0.2
247.76686	0.3
258.44278	0.2
299.05682	1.2
300.06009	0.4
439.38901	0.3
452.29889	0.3
693.42426	1.2
750.98779	0.2
775.42883	1.1
793.43359	0.4
805.40540	0.3
835.22827	0.4
835.36713	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	835.4499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	63.7
71.01375	30.7
73.02942	9.1
78.41775	0.9
83.01373	3.6
85.02948	13.5
87.49407	0.8
89.02440	22.6
91.38461	0.9
95.01389	4.8
96.96017	11.3
99.00885	4.8
99.04525	1.2
101.02446	23.3
113.02428	22.2
115.24155	1.0
119.03484	7.6
125.02477	1.1
132.48628	0.9
143.03464	1.1
161.04642	1.3
187.28593	1.1
199.43120	1.0
256.50876	1.1
299.05542	1.8
369.24316	6.0
389.76312	1.0
451.32187	1.8
469.34045	1.2
500.50720	1.0
775.42883	68.1
793.43811	29.0
835.45123	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4491
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	90.0
63.46080	1.7
71.01379	54.6
73.02944	20.3
82.22041	2.3
83.01375	4.4
85.02952	29.2
87.00889	3.3
89.02429	24.5
95.01377	12.3
97.02900	2.6
99.00862	2.9
101.02427	25.2
111.92610	2.4
113.02447	49.6
116.74889	2.1
119.03491	5.1
132.66269	2.2
143.03441	4.2
149.04424	2.5
161.04541	11.3
179.05597	3.3
297.60669	2.7
482.44809	2.4
613.38147	2.9
628.18591	2.8
657.95801	2.2
700.88928	2.5
775.42694	69.5
793.43475	24.4
835.45026	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01100	4.5
59.01383	83.0
59.01678	2.8
71.01384	18.4
72.69004	2.1
73.02934	2.8
74.78250	2.1
85.02944	13.5
89.02438	4.5
96.96012	8.8
101.02431	13.6
113.02425	16.6
257.74060	2.4
317.21155	2.3
351.06030	2.9
455.35291	4.6
478.59183	3.0
617.40601	3.7
731.43829	56.4
743.11743	2.7
749.44843	19.3
791.46088	100.0
835.38342	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	835.4491
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	64.4
59.01681	2.3
71.01372	27.2
73.02935	9.8
76.29607	1.3
83.01357	2.1
85.02948	13.2
89.02431	20.0
95.01351	1.8
97.61150	1.3
99.00870	2.0
101.02441	16.6
113.02438	31.1
119.03495	7.5
131.03470	2.8
193.03499	2.3
206.69588	1.3
257.04184	1.5
299.05591	1.5
351.05493	1.6
407.57306	1.6
476.62280	1.5
518.28748	1.5
586.06879	1.6
677.38666	5.4
731.43768	33.1
749.45111	16.1
791.46021	100.0
835.36530	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	835.4485
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
65.95888	1.4
71.01363	10.8
73.02950	2.8
82.21393	1.3
85.02930	6.6
86.57016	1.3
89.02446	2.4
92.22468	1.5
95.01415	1.6
99.04509	1.6
100.24292	1.5
101.02441	8.8
108.53615	1.6
113.02445	7.3
125.02480	1.7
125.97895	1.4
141.01695	61.7
142.02461	1.6
183.13794	1.9
191.43791	1.5
420.30518	1.6
693.41980	6.4
715.39600	8.9
731.43677	20.0
749.44922	9.0
775.42365	2.9
791.46021	45.8
835.44904	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	835.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.58316	1.7
71.01382	11.1
89.02448	9.6
101.02455	2.9
128.79996	2.3
130.93266	2.1
138.27156	2.2
141.00650	4.4
141.01700	92.4
141.02823	3.6
167.70140	2.5
199.41521	2.0
204.03679	1.9
229.20088	1.9
238.99327	2.0
259.20245	2.5
374.34134	2.0
378.22427	2.2
385.08932	2.1
645.98596	2.6
693.42084	2.2
697.21057	2.1
715.39166	4.7
731.43970	3.6
775.41681	8.7
791.45673	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	835.5584
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	6.9
62.18927	4.4
67.42921	4.6
69.61581	5.0
71.17195	6.3
75.34330	5.7
83.62371	5.4
92.22512	10.6
122.26495	5.8
277.21762	77.4
279.23254	100.0
304.85184	5.7
449.43036	5.6
481.68732	5.8
500.70706	7.1
602.93719	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	836.5173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.22098	0.9
61.98832	100.0
62.01370	1.0
65.15150	0.8
75.88440	1.0
79.57140	0.8
79.95247	0.8
94.56487	1.1
101.23785	1.0
107.03951	1.0
156.90030	1.1
161.40195	0.9
200.08926	1.1
201.97440	1.0
277.21838	2.1
278.22064	1.3
279.22400	1.3
339.21649	1.0
569.18945	1.3
793.65314	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	837.392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	10.4
61.08696	0.5
62.01572	0.6
65.08373	0.5
67.93703	0.4
71.01378	7.9
72.99293	0.6
73.02927	1.0
75.00867	2.2
77.90082	0.5
83.01380	1.9
84.57198	0.6
85.02946	7.6
87.00871	1.1
89.02433	3.6
95.01391	2.4
99.00880	14.4
100.32158	0.5
101.02449	5.8
111.00906	0.7
112.01672	0.6
113.02443	14.8
115.00341	0.8
119.03459	0.7
129.01912	0.7
143.24619	0.5
145.08705	0.7
157.01411	1.2
161.65074	0.5
240.82593	0.5
386.27463	0.5
389.28522	0.8
391.26346	0.6
407.29843	0.8
439.28568	1.0
455.31735	4.1
481.29498	1.0
499.30728	4.1
569.35059	0.6
581.31415	1.1
595.32672	1.1
613.33545	4.3
657.32483	2.3
775.39410	0.7
837.39191	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	15.7
64.27822	0.3
67.90826	0.3
71.01016	0.6
71.01375	13.3
72.99284	0.8
73.02952	2.9
75.00872	8.5
81.73543	0.3
83.01359	1.4
85.02944	12.9
87.00848	1.8
87.30673	0.3
88.70071	0.3
89.02436	11.0
93.33908	0.3
95.01371	3.8
97.02885	0.4
99.00871	9.6
101.02439	9.7
102.40858	0.3
111.00851	0.4
111.04412	0.4
112.01658	0.4
113.01665	0.7
113.02437	19.9
115.00335	0.4
119.03493	3.8
125.02324	0.4
127.03973	0.6
128.35431	0.4
129.05501	0.5
139.00377	0.9
144.09404	0.4
156.93527	0.4
157.01346	1.5
161.04494	0.8
181.54832	0.4
272.99728	0.4
279.07217	0.4
287.90222	0.4
389.28378	0.5
437.30353	0.7
451.28244	0.5
499.31055	2.5
569.34406	0.5
777.44037	3.9
795.45178	2.4
837.38892	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	9.3
64.28795	0.5
67.42348	0.5
71.01375	12.9
72.98930	0.8
72.99298	11.4
73.02927	2.8
75.00863	9.1
75.86128	0.5
77.97242	0.5
78.04166	0.5
84.57301	0.5
85.02943	14.1
85.42600	0.5
87.00858	4.1
89.02430	4.3
91.71306	0.6
93.57802	0.5
95.01373	3.6
95.79697	0.5
99.00858	8.4
101.02442	4.2
103.00382	5.2
105.73340	0.5
113.02444	36.8
115.00335	2.8
117.01913	0.8
126.83601	0.6
129.01912	2.5
131.03488	4.3
133.01378	2.2
157.01384	2.4
175.02499	8.0
193.03535	17.5
235.04570	2.5
289.05707	2.7
297.34088	0.7
317.43082	0.6
351.05627	13.2
391.13834	0.7
408.31757	0.6
485.32904	1.0
777.44885	0.7
837.39099	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.4
65.39725	0.3
71.01366	1.5
73.02934	0.4
78.95901	0.5
79.95735	2.0
83.46093	0.3
85.02946	0.7
88.65636	0.3
89.02452	0.7
92.22448	0.6
94.98051	0.7
96.96002	100.0
98.90677	1.3
101.02448	0.7
113.02436	0.5
114.93395	0.4
119.03509	0.4
133.54407	0.3
276.88391	0.3
280.29126	0.3
471.29156	0.3
480.66599	0.4
695.44019	1.6
777.43701	0.7
790.48120	0.4
837.35974	2.5
848.20850	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	43.0
71.01379	36.2
72.73338	0.9
73.02938	9.4
81.03452	1.5
83.01376	4.3
85.02956	9.0
87.00886	10.2
87.47798	0.9
89.02436	43.7
95.01373	1.9
97.02946	6.0
99.00873	1.5
101.02433	43.6
111.00860	1.2
113.02446	29.0
116.92861	1.2
119.03478	12.1
125.02425	13.4
131.03479	8.9
132.23514	0.9
133.04990	1.3
143.03473	4.7
145.04996	1.3
161.04555	16.7
179.05626	4.5
203.05653	1.2
221.06676	6.4
235.08209	6.5
249.29745	0.9
253.09293	7.4
277.18613	1.2
277.21729	38.3
292.99411	1.1
320.49051	1.0
375.63495	1.3
383.11804	1.6
397.13458	12.9
415.14529	7.4
466.67899	1.0
485.15195	1.3
525.58716	1.0
559.18829	100.0
577.19904	30.8
581.57379	1.1
675.36060	3.9
815.70587	1.2
837.41370	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	837.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	43.0
71.01379	36.2
72.73338	0.9
73.02938	9.4
81.03452	1.5
83.01376	4.3
85.02956	9.0
87.00886	10.2
87.47798	0.9
89.02436	43.7
95.01373	1.9
97.02946	6.0
99.00873	1.5
101.02433	43.6
111.00860	1.2
113.02446	29.0
116.92861	1.2
119.03478	12.1
125.02425	13.4
131.03479	8.9
132.23514	0.9
133.04990	1.3
143.03473	4.7
145.04996	1.3
161.04555	16.7
179.05626	4.5
203.05653	1.2
221.06676	6.4
235.08209	6.5
249.29745	0.9
253.09293	7.4
277.18613	1.2
277.21729	38.3
292.99411	1.1
320.49051	1.0
375.63495	1.3
383.11804	1.6
397.13458	12.9
415.14529	7.4
466.67899	1.0
485.15195	1.3
525.58716	1.0
559.18829	100.0
577.19904	30.8
581.57379	1.1
675.36060	3.9
815.70587	1.2
837.41370	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	837.4643
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	96.6
69.03462	0.9
71.01378	45.4
72.18600	0.7
73.02946	17.8
83.01377	4.1
85.02938	18.0
87.00854	2.0
89.02440	44.9
95.01370	6.3
99.00860	1.3
101.02432	34.0
113.02448	36.5
116.92464	0.8
119.03500	16.4
131.03522	0.9
143.03415	1.7
149.04538	1.3
161.04539	4.9
171.48189	0.9
179.05614	6.4
609.13000	1.0
777.44354	61.5
795.45288	26.4
837.46478	100.0
851.21906	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4643
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	62.5
70.46161	2.0
71.01373	34.8
72.99291	2.9
73.02934	5.5
75.00854	4.0
79.29754	2.0
83.01384	4.3
85.02946	16.0
87.00854	2.8
89.02441	33.8
101.02448	25.3
113.02446	34.3
119.03487	15.7
141.10219	2.7
191.41757	2.6
193.03537	4.5
266.81567	2.3
275.14056	2.4
351.05750	4.4
735.91974	3.2
777.44720	26.9
777.59192	2.5
793.48090	4.0
795.46051	16.7
837.47357	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4645
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	63.4
71.01373	35.2
73.02940	8.4
77.99593	1.2
83.01384	2.6
85.02933	13.5
87.00898	1.3
89.02444	27.3
95.01405	2.4
96.95989	6.9
98.95537	1.4
101.02444	26.0
113.02432	23.1
116.92829	1.9
119.03500	10.1
126.50388	1.3
189.25977	1.4
211.25499	1.6
224.79659	1.4
260.61044	1.5
283.06213	5.6
370.64084	1.6
423.44666	1.5
519.58813	1.5
707.38849	2.6
777.44275	36.5
795.45581	19.0
837.46539	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4644
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	70.7
61.44416	1.1
70.44671	1.1
71.01379	43.2
73.02950	15.8
81.44605	1.0
83.01397	1.7
85.02946	28.5
85.03400	1.2
87.00900	2.6
87.95727	1.3
89.02438	17.1
92.22901	1.9
95.01395	11.9
97.02934	1.8
99.00911	6.3
101.02447	23.0
112.01678	1.9
113.02448	56.0
119.03519	7.6
121.76118	1.1
124.01668	1.5
125.02429	2.7
131.27434	1.1
138.20190	1.3
153.45905	1.2
160.34978	1.2
161.04630	2.4
173.50304	1.2
235.14801	1.2
273.17178	1.2
388.84149	1.4
392.99274	1.4
759.43225	1.9
777.44366	60.2
789.45105	2.2
795.45508	34.4
795.59656	1.6
837.47229	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	67.0
71.01379	23.8
73.02949	7.4
83.01386	2.4
85.02959	8.6
87.00866	1.1
87.57727	1.3
87.59203	1.1
89.02436	25.8
95.01363	2.2
97.02919	1.3
99.04503	25.9
101.02437	26.4
105.26561	1.1
113.02438	23.4
119.03497	11.0
121.66862	1.2
125.02416	16.8
143.03450	1.8
144.90164	1.3
161.04610	2.0
209.13625	1.3
296.49777	1.3
299.05582	1.4
527.74902	1.7
675.41510	6.4
693.42200	30.7
693.89032	1.5
710.18634	1.4
733.45325	13.6
735.42657	11.3
751.46838	2.6
772.82910	1.9
793.47693	37.8
837.46490	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4645
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	74.2
71.01378	43.7
73.02939	12.5
75.00851	2.2
83.01379	8.8
85.02948	18.2
87.00840	3.8
89.02419	25.4
99.00880	3.4
101.02448	34.6
110.66888	1.9
113.02433	31.8
119.03465	3.4
124.05016	2.0
157.79965	1.9
193.03589	3.0
242.16066	2.1
246.64595	2.4
299.05637	2.4
487.91769	2.4
530.34845	2.2
652.79102	2.4
733.44617	2.4
777.44330	65.1
793.46814	8.7
795.45679	22.4
837.47443	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4832
Annotation	Unknow
Peak:m/z	Relative Intensity
65.18159	0.4
69.03440	0.4
71.01378	4.4
73.02940	0.9
78.98591	4.7
79.95734	4.6
80.96513	50.7
81.03426	0.6
85.02940	2.5
85.69465	0.5
87.00871	2.4
94.98076	13.0
97.02950	1.0
101.02439	2.9
106.98068	3.3
109.02985	0.5
121.70848	0.5
122.97583	2.8
125.02449	4.8
127.04001	0.8
134.97644	4.9
136.99120	1.1
143.81764	0.6
148.99106	7.4
152.98624	10.0
164.98628	15.9
181.80859	0.5
202.57634	0.5
206.24554	0.5
206.99673	3.1
225.00748	29.9
250.28433	0.5
263.51624	0.5
277.21646	3.1
305.68390	0.6
328.79300	0.5
559.25647	6.0
740.82397	0.5
837.48334	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	839.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	14.3
62.97835	2.2
71.01379	11.9
75.00858	5.0
77.18874	2.3
81.54589	2.1
85.02948	14.4
89.02437	11.6
95.01385	5.6
99.00851	15.2
101.02455	4.8
110.84129	2.0
113.02452	26.0
136.81252	2.5
168.48460	2.4
378.72235	2.8
401.66125	2.7
417.52573	2.4
519.60876	3.2
697.64667	2.5
839.37567	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	839.3928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	78.2
65.28799	3.1
71.01381	45.5
71.59876	3.3
72.39665	4.2
73.02938	14.4
83.01389	3.9
85.02947	22.0
89.02428	27.2
92.23133	3.3
99.00887	5.6
101.02439	23.6
113.02451	51.6
119.03492	9.3
193.05135	4.5
206.31133	4.0
295.98322	3.7
315.10669	3.6
322.73132	3.7
585.34412	6.1
593.63776	4.3
629.33350	8.2
631.36884	8.6
649.38226	14.8
691.39380	57.8
709.40021	38.4
751.41217	64.6
834.44446	4.0
839.40613	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01100	4.6
59.01385	97.4
59.01684	4.0
61.66148	3.0
71.01376	42.2
73.02943	17.1
77.54792	2.2
79.32589	2.5
83.01399	3.7
84.00642	2.3
85.02949	24.6
87.00798	2.3
89.02444	37.0
95.01394	6.1
99.00871	4.0
101.02438	35.8
111.00853	2.8
113.02448	59.1
119.03479	14.1
125.02434	3.8
143.03467	3.0
161.04529	4.4
180.18321	2.4
193.05121	9.1
229.18024	3.9
346.74884	2.8
396.84940	3.2
413.37436	2.5
505.32794	2.9
631.37299	15.6
649.38489	22.8
667.11700	3.2
691.39154	68.1
709.40112	55.1
751.41302	100.0
779.42493	2.7
791.76373	2.8
839.41656	13.2
852.98096	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	839.3922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	79.0
61.62529	1.0
69.03461	1.3
71.01376	43.2
72.99275	1.4
73.02939	10.9
81.03458	1.3
83.01398	3.2
85.02941	20.2
87.00880	2.7
87.33003	1.3
89.02438	35.1
92.23151	2.4
95.01382	3.2
96.96016	15.7
98.95597	2.8
99.00898	6.0
101.02439	37.6
111.00872	2.0
111.21644	1.3
113.02441	38.5
113.03210	1.9
115.92077	7.5
116.92855	19.6
119.03526	10.5
125.02490	3.2
131.03549	1.2
143.03537	2.0
161.04572	5.5
179.05756	1.6
343.28845	2.8
457.89319	1.4
487.33289	2.0
505.34293	2.9
524.36285	1.7
616.44891	1.5
631.37622	8.0
649.38251	10.4
661.38202	1.6
667.38641	1.7
691.38983	28.1
709.40051	28.2
751.41437	39.1
779.46008	38.4
797.47131	19.2
839.36176	10.2
839.48749	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	8.0
71.01384	9.4
85.02951	3.6
89.02428	4.1
99.00866	12.4
101.02449	2.4
113.02450	8.6
157.01505	2.7
164.87520	1.8
314.83340	2.5
393.27704	2.4
458.30698	2.9
471.31699	4.2
585.34363	11.6
608.38556	2.4
629.33301	9.9
839.40820	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	19.6
71.01379	19.8
72.99309	11.3
73.02933	5.0
75.00871	7.8
83.01392	1.1
85.02943	18.2
87.00860	4.4
89.02446	9.3
95.01361	4.1
98.34531	0.7
99.00871	7.1
101.02446	8.3
101.20149	0.9
101.63468	0.8
103.00357	4.3
111.00891	0.8
113.02445	45.8
115.00309	4.4
117.01911	3.0
119.03515	1.1
120.43089	0.8
129.01891	1.2
131.03473	3.5
133.01401	1.6
148.84288	0.8
157.01390	1.5
175.02472	7.5
183.89021	0.9
186.92163	0.9
193.03535	18.0
235.04562	1.0
267.02774	0.8
283.06049	1.3
289.05713	1.1
299.05527	1.4
300.05188	0.8
334.70523	0.8
351.05695	17.0
487.33893	1.3
601.36646	1.0
631.37146	1.6
691.38739	5.3
709.40015	5.2
751.41534	5.7
779.44989	3.7
796.45471	0.9
805.98248	0.9
839.40527	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	19.6
71.01379	19.8
72.99309	11.3
73.02933	5.0
75.00871	7.8
83.01392	1.1
85.02943	18.2
87.00860	4.4
89.02446	9.3
95.01361	4.1
98.34531	0.7
99.00871	7.1
101.02446	8.3
101.20149	0.9
101.63468	0.8
103.00357	4.3
111.00891	0.8
113.02445	45.8
115.00309	4.4
117.01911	3.0
119.03515	1.1
120.43089	0.8
129.01891	1.2
131.03473	3.5
133.01401	1.6
148.84288	0.8
157.01390	1.5
175.02472	7.5
183.89021	0.9
186.92163	0.9
193.03535	18.0
235.04562	1.0
267.02774	0.8
283.06049	1.3
289.05713	1.1
299.05527	1.4
300.05188	0.8
334.70523	0.8
351.05695	17.0
487.33893	1.3
601.36646	1.0
631.37146	1.6
691.38739	5.3
709.40015	5.2
751.41534	5.7
779.44989	3.7
796.45471	0.9
805.98248	0.9
839.40527	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.7
71.01370	6.4
71.22671	1.2
71.24376	1.4
78.98571	1.2
80.96513	26.8
85.02930	1.8
87.00871	2.1
87.57330	1.5
94.98065	7.1
101.02420	6.7
113.02394	2.2
122.97552	1.5
125.02431	2.6
148.99133	5.7
152.98589	3.1
164.98615	18.1
183.13832	6.0
193.05104	2.3
206.99695	2.9
225.00737	42.4
272.78226	1.5
283.02463	2.3
298.04739	6.3
313.96448	1.6
416.27448	1.4
499.93765	1.8
509.17505	1.6
611.27399	6.1
657.23926	1.6
659.17487	1.5
706.15979	1.5
737.00165	1.6
779.45184	5.5
821.65326	1.6
839.41010	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.479
Annotation	rubiarboside G 28-acetate
Peak:m/z	Relative Intensity
59.01384	28.7
62.87997	0.5
68.15200	0.6
69.06216	0.5
71.01012	0.9
71.01380	20.9
73.02946	5.3
83.01414	0.7
85.02946	5.3
87.00889	3.7
89.02438	30.9
95.01393	1.0
99.00874	0.8
101.02448	22.8
103.16344	0.6
106.37724	0.6
111.00830	0.8
113.02453	13.7
119.03500	5.9
121.05686	0.6
125.02432	2.6
131.03474	10.1
134.76071	0.6
143.03455	1.1
152.90005	0.6
161.04535	6.8
179.05666	6.2
221.06668	12.6
338.33514	0.7
474.95169	0.7
591.37970	1.0
632.54901	0.7
651.39734	3.0
677.43054	1.4
759.71204	0.8
779.46796	0.7
795.43671	4.7
839.48053	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4797
Annotation	rubiarboside G 28-acetate
Peak:m/z	Relative Intensity
59.01380	53.5
71.01376	28.1
71.01781	0.7
72.99305	0.8
73.02934	4.6
83.01385	2.2
85.02943	9.6
87.00851	0.6
89.02436	28.5
95.01392	3.8
97.02991	0.4
99.00873	1.5
101.01771	0.7
101.02435	19.5
109.34825	0.3
112.01653	0.5
113.02438	20.8
113.59816	0.3
119.03479	8.7
124.01674	0.6
125.02512	0.5
131.03470	0.6
132.63853	0.3
143.03456	0.6
161.04567	1.3
178.45158	0.3
179.05579	0.8
241.90639	0.3
299.05246	0.4
691.39844	0.4
709.40472	0.7
751.41309	1.3
779.45831	32.8
797.47083	14.0
839.48071	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	839.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58189	1.1
59.01384	29.9
61.02694	1.0
61.04537	0.9
64.07743	1.0
67.08934	1.0
71.01375	22.1
73.02954	7.1
83.01385	1.6
85.02954	8.2
87.00862	2.0
89.02435	19.4
99.00909	1.2
101.02438	21.6
113.02459	11.1
119.03481	5.6
143.28656	1.2
161.04503	1.4
165.01901	7.8
170.32903	1.1
271.06052	8.5
283.02585	8.8
284.03345	5.7
298.04916	11.0
299.05618	34.1
307.76294	1.2
414.84427	1.2
503.11984	6.7
591.15143	21.0
677.42291	2.5
771.48242	1.3
779.45966	100.0
795.21979	1.6
839.38837	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	840.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	62.6
61.98836	39.7
67.82348	1.6
70.79643	1.5
71.01372	15.7
73.02945	18.0
81.15770	1.4
83.01402	1.8
85.02951	4.0
89.02444	14.8
101.02428	19.5
104.63733	1.8
112.72791	1.8
113.02434	18.4
119.03500	6.6
131.03532	1.9
161.04558	7.1
179.05666	2.4
189.87549	1.8
212.62164	1.9
221.06691	3.3
237.96925	1.7
274.43805	1.9
361.19345	1.8
433.58783	1.9
673.39832	27.3
691.40747	14.8
733.41724	100.0
856.07300	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	841.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.9
80.66695	0.4
88.40442	0.4
89.02424	0.5
134.03714	2.9
144.58321	0.5
151.00349	1.8
160.01648	1.8
175.04010	2.6
178.99916	0.6
193.05124	1.6
227.03506	5.7
255.02988	18.2
256.03867	4.7
257.04404	0.6
283.02438	2.9
284.03284	100.0
285.04001	7.4
298.04858	0.9
299.05548	0.6
314.04764	0.5
507.01324	0.5
515.15845	0.6
603.13727	6.5
621.14380	4.2
781.44116	1.0
797.19446	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	841.1838
Annotation	Malonylshisonin
Peak:m/z	Relative Intensity
74.26973	0.3
92.22459	0.3
134.03740	2.9
135.04529	0.4
151.00343	2.0
160.01668	1.9
161.02391	0.5
175.03983	2.0
178.99796	1.3
193.05009	0.7
195.25446	0.4
206.73547	0.4
219.11171	0.4
227.03487	6.8
255.03006	20.5
256.03711	3.4
257.04617	0.4
266.99594	0.4
283.02628	1.7
284.03287	100.0
285.04068	8.2
298.04868	1.9
409.44894	0.4
521.23029	0.4
603.13647	10.9
621.14844	5.0
710.53888	0.4
764.47424	0.4
797.19427	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	841.205
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99470	0.3
78.98126	0.3
165.01938	2.1
255.02917	2.6
269.04507	0.3
271.06119	1.3
283.02502	35.5
284.03223	2.5
298.04852	100.0
299.05637	11.9
341.06778	1.2
593.14801	1.1
598.01141	0.3
635.16272	81.6
726.59668	0.3
728.96552	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.3
65.31497	0.3
70.69751	0.3
71.01375	1.7
71.12831	0.3
72.99216	0.3
85.02950	0.5
89.02464	0.6
101.02479	0.7
119.05016	0.3
123.62075	0.3
165.01894	5.3
175.04036	0.5
227.03500	0.4
228.04352	0.4
240.04248	0.4
255.03012	5.8
256.03735	0.7
269.04645	0.6
271.03366	0.5
271.06180	3.9
283.02509	62.8
284.03314	10.8
285.04022	0.7
285.43399	0.4
298.04858	100.0
299.02161	2.9
299.05576	23.2
314.04321	2.9
315.05054	0.4
326.04300	0.4
341.06686	0.7
407.19217	0.5
463.25208	0.5
797.21490	85.3
841.20099	2.8
841.42517	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35495	0.2
59.01384	2.6
85.02953	0.3
89.02446	0.5
89.93422	0.2
93.03436	2.2
95.01344	0.3
97.02944	0.4
100.59995	0.2
101.02409	0.3
112.77613	0.2
113.02438	0.5
121.02900	0.3
132.02174	0.4
134.03763	1.7
135.04608	0.2
149.06105	1.0
151.00414	0.4
160.01649	6.2
161.02446	2.4
163.00400	0.3
165.01924	24.0
175.03999	14.5
176.04750	0.4
178.02740	1.1
179.03551	0.5
191.07227	0.4
193.05109	2.3
212.04808	0.4
217.05162	0.3
223.16086	0.3
227.03477	0.2
233.11653	0.2
235.06201	0.4
240.04282	4.2
243.06573	1.7
255.02954	3.4
255.06618	1.4
256.03842	2.0
271.06131	27.5
283.02490	23.7
284.03287	18.8
295.08328	0.4
297.04037	0.4
298.04849	47.0
299.05630	100.0
309.71887	0.2
313.07114	0.9
323.07639	0.9
337.09341	3.4
341.06793	0.9
443.09818	0.3
503.12027	33.9
637.15698	72.1
679.16528	2.4
753.43237	0.3
781.46790	1.0
799.47485	0.5
824.16913	0.3
841.22467	3.0
841.48785	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	841.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.6
76.27706	0.2
85.02938	0.3
93.03432	1.5
95.10971	0.3
101.02438	0.6
113.02417	0.4
120.19906	0.3
132.02168	0.5
134.03770	2.9
149.06104	0.6
151.00319	0.5
160.01656	5.9
161.02473	1.8
163.00378	0.4
165.01921	21.5
175.03998	15.3
178.02689	0.4
179.03548	0.4
191.07173	0.5
193.05080	3.8
213.05479	0.3
227.03587	0.4
235.06174	0.3
240.04283	4.7
243.06670	1.6
255.02927	2.8
255.06610	1.9
256.03729	1.8
271.06149	27.0
283.02481	20.4
284.03284	17.3
288.49054	0.3
298.04852	44.4
299.05627	100.0
313.07233	0.4
314.04480	1.1
323.07751	0.6
329.06839	0.3
337.09311	3.9
341.06686	0.5
503.12033	30.9
603.67993	0.4
637.15723	80.7
653.38287	0.4
679.16656	0.6
841.22650	4.5
841.38757	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.6
63.21405	0.3
70.02974	7.7
72.00889	0.5
72.04538	0.8
74.02469	29.7
85.33702	0.3
98.02467	7.4
116.03529	18.4
116.05017	6.1
118.34904	0.3
130.06590	0.7
135.43689	0.3
142.06589	1.2
159.09258	2.6
165.05548	0.5
175.03999	1.4
181.24524	0.3
183.09209	0.6
193.05104	0.5
199.95276	0.3
201.10378	5.4
203.08275	60.3
211.04459	0.3
231.78189	0.3
245.09315	100.0
246.48410	0.3
267.07251	0.4
289.08337	4.6
406.12997	0.3
436.33160	0.4
551.17798	2.4
587.08093	0.4
841.28070	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.1
60.57046	0.2
64.17331	0.2
68.99783	0.5
71.01374	7.8
72.99303	0.3
73.02946	0.4
75.00862	5.1
83.57309	0.3
85.02939	6.5
87.00871	0.7
89.02434	5.0
95.01379	2.7
99.00872	10.3
101.02438	5.8
112.01641	0.5
113.02440	9.5
115.00351	0.3
115.51687	0.3
119.03468	2.1
137.02501	0.3
139.00388	1.4
144.77675	0.3
157.01399	1.4
161.04593	0.3
165.01903	0.4
174.77048	0.3
255.02983	0.5
283.02524	7.5
284.03275	0.7
298.04807	10.3
299.05591	2.5
407.29996	0.6
423.28806	0.6
437.30655	0.4
453.30170	0.3
455.31729	4.5
471.31284	1.4
485.32523	0.5
492.20828	0.4
501.32300	1.8
503.34012	5.6
537.32135	0.4
553.32318	0.3
569.34900	1.7
585.34363	3.1
613.33917	1.2
617.37018	7.4
629.33429	0.7
635.38287	2.2
661.35956	7.4
779.41962	1.6
797.21625	8.1
841.42334	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	94.3
60.32316	1.4
61.71515	1.4
63.05958	1.2
64.94714	1.6
66.27335	1.3
66.29443	1.4
66.45471	1.4
70.78753	1.4
71.01364	10.5
72.75047	1.4
73.02937	2.5
85.02932	6.2
88.46259	1.6
89.02424	8.7
101.02426	8.7
113.02410	8.4
119.03555	2.5
141.73097	2.1
190.95500	1.7
256.30554	1.6
559.32538	6.9
721.38196	20.2
739.39349	2.7
781.40503	65.1
841.42310	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	30.8
66.01978	1.3
71.01367	20.5
73.63284	1.3
75.02224	1.3
79.99535	1.8
82.71368	1.3
85.02977	7.3
89.02431	16.4
95.01357	2.2
99.00890	12.0
101.02427	13.2
113.02448	14.9
119.03501	3.2
160.01662	1.8
196.65208	1.6
214.44504	1.9
227.03647	2.6
255.03055	6.5
256.03732	2.2
283.02881	1.9
284.03250	39.5
285.04099	3.1
303.75238	1.6
378.86615	1.6
471.31143	2.1
473.31787	2.8
542.48657	1.5
585.35022	2.3
587.35333	6.3
603.12982	1.8
631.34265	8.8
742.33887	1.6
781.43988	41.3
797.19110	19.9
841.41534	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4594
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67107	0.8
59.01380	38.7
60.19323	0.8
68.61343	0.9
69.24448	0.8
71.01377	23.2
73.02939	1.4
74.02482	0.8
81.87355	1.0
83.01391	0.9
85.02930	4.9
89.02444	29.6
91.25301	0.8
91.57790	0.9
95.01392	1.6
101.02444	18.2
113.02444	14.1
116.78711	0.8
119.03503	12.8
148.57037	0.9
153.89583	1.0
165.01897	1.3
165.05508	1.3
166.67636	0.9
179.05762	1.2
287.04202	0.9
312.26813	1.0
406.41687	0.9
457.33749	1.0
717.19238	1.2
753.42261	1.2
781.43884	100.0
795.44714	3.3
841.41864	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	841.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	21.5
71.01376	19.1
73.02951	3.3
78.73953	1.5
83.01366	2.5
83.88331	1.4
84.08157	1.3
85.02938	7.6
85.39673	1.4
89.02426	14.2
97.05480	1.3
101.02443	22.0
105.69225	1.3
113.02423	13.4
117.83389	1.5
119.03474	2.9
124.49549	1.5
147.18954	1.6
161.04596	1.9
781.47485	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	19.5
60.35855	0.6
60.44606	0.5
67.30455	0.6
71.01008	1.1
71.01376	22.0
73.02939	8.0
83.01389	4.5
85.02954	12.8
89.02425	6.3
92.00014	0.6
92.22562	0.8
95.01366	2.8
97.02939	0.9
99.00867	3.1
101.02435	21.9
113.02441	17.2
119.03471	2.4
125.02392	2.5
131.03543	0.6
143.03448	1.2
143.80031	0.6
151.03163	0.6
159.03027	2.4
161.04567	4.4
299.05765	0.8
388.38748	0.6
399.32742	3.2
399.43903	0.6
400.02066	0.7
465.48727	0.7
473.36264	1.0
475.38132	4.9
565.38721	0.7
565.48090	0.6
593.08325	0.7
658.66473	0.6
744.32672	0.8
751.27875	0.7
781.46967	8.0
799.48584	9.5
841.49622	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	21.5
71.01376	19.1
73.02951	3.3
78.73953	1.5
83.01366	2.5
83.88331	1.4
84.08157	1.3
85.02938	7.6
85.39673	1.4
89.02426	14.2
97.05480	1.3
101.02443	22.0
105.69225	1.3
113.02423	13.4
117.83389	1.5
119.03474	2.9
124.49549	1.5
147.18954	1.6
161.04596	1.9
781.47485	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
68.40311	0.4
71.01365	4.4
73.02936	1.6
78.98594	5.2
79.95730	4.0
80.96516	44.2
83.17294	0.4
85.02927	2.5
87.00874	2.4
88.79671	0.4
94.98081	13.0
96.96001	0.7
97.02937	1.8
101.02435	2.3
106.98065	2.5
110.89722	0.5
117.76123	0.4
118.57382	0.4
122.97567	2.0
125.02431	4.2
127.03996	0.5
134.97543	5.2
136.99156	1.0
148.99129	5.6
149.64490	0.5
150.96957	0.4
152.98647	8.3
164.98631	18.8
167.00160	0.6
206.99734	3.6
225.00761	28.9
235.29820	0.5
277.21701	0.6
279.20184	0.4
279.23178	4.1
283.04688	0.6
292.60544	0.5
313.67392	0.4
415.09845	0.6
559.26056	1.0
561.27515	5.2
563.28845	0.8
637.13531	0.5
641.55603	0.6
688.73315	0.5
811.46790	0.6
841.51440	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.418
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	71.9
61.98832	28.6
69.19344	1.7
71.01378	24.7
73.02938	15.1
83.01362	2.1
85.02938	7.1
89.02437	20.4
95.01384	1.8
101.02438	18.7
113.02438	27.8
119.03495	2.7
149.04514	1.7
280.33463	1.7
374.78799	1.7
481.34766	2.0
675.41284	34.3
693.41949	19.1
735.43347	100.0
784.02637	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	843.4392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	8.7
59.70350	0.4
71.01382	11.5
72.99294	2.0
73.02937	1.7
75.00870	13.2
83.63589	0.4
85.02946	12.7
87.00865	4.3
89.02430	7.0
95.01370	0.8
97.02940	0.6
99.00872	4.8
101.02440	6.3
103.00376	0.7
111.00856	1.6
113.01652	0.8
113.02442	24.2
115.00371	0.7
117.01896	0.7
119.03475	2.1
120.56667	0.4
128.03423	0.5
129.01912	0.6
131.03516	5.7
149.04570	0.8
157.01416	2.1
173.04543	6.5
175.02469	1.6
191.05644	3.8
193.03494	0.8
220.60484	0.4
235.04601	0.9
487.34186	0.5
488.77328	0.5
783.44952	0.9
843.43896	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4388
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	10.5
61.95835	0.4
67.11639	0.4
67.24058	0.4
67.37598	0.5
71.01375	13.5
72.99299	2.2
73.02939	1.1
75.00452	0.9
75.00864	12.4
75.22311	0.4
79.45424	0.5
82.70672	0.4
83.01380	1.1
85.02944	9.5
86.03750	0.5
87.00883	4.1
89.02440	8.0
95.01384	1.9
96.95972	1.1
97.02879	0.6
99.00870	4.0
99.04527	0.5
101.02436	6.4
106.16541	0.5
111.00872	0.9
113.02439	22.0
115.00327	1.1
117.01925	0.7
119.03490	2.5
125.02426	0.8
129.01988	0.8
131.03514	5.4
143.03490	0.8
149.04575	0.5
157.01363	0.7
157.69173	0.5
170.91702	0.5
173.04530	6.2
175.02516	0.6
191.05638	2.1
215.05649	0.8
235.04556	0.9
256.03387	0.5
271.02328	0.5
283.02469	7.2
284.02859	4.6
285.03275	4.1
286.04462	0.6
298.04883	10.3
299.01974	2.3
299.05292	5.1
300.02423	1.8
300.05508	4.8
301.02869	0.7
314.04312	3.2
315.04614	2.4
316.05112	1.1
407.19174	0.9
783.44934	1.0
799.21582	19.4
799.36591	0.8
811.16602	0.9
843.43903	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.2
64.85934	0.2
71.01366	1.4
73.02936	0.2
77.18847	0.2
83.01398	0.3
85.02944	0.3
87.35140	0.2
89.02432	1.0
96.95970	0.2
97.93616	0.2
98.76346	0.2
101.02430	1.4
101.60829	0.2
102.63044	0.2
113.02428	1.0
117.03475	0.2
119.03497	0.7
132.02136	1.1
133.03014	0.3
134.03731	10.6
137.02411	0.3
148.91977	0.2
149.06058	3.5
160.01646	15.9
161.02455	1.2
173.06084	1.2
175.03996	58.3
176.04726	1.6
178.02702	1.0
179.03484	1.1
181.05028	0.3
191.07144	7.3
192.04218	0.3
193.05060	33.8
207.06607	3.2
217.05138	0.3
220.03705	0.3
221.04549	0.3
235.06114	23.6
251.05315	0.2
263.98328	0.2
265.07199	3.0
281.06595	0.7
295.08221	5.2
329.22919	0.2
351.78680	0.2
435.19235	0.2
447.35687	0.2
712.17883	0.2
769.38000	0.4
801.49158	0.7
828.42578	0.8
843.45410	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01110	0.4
59.01381	9.3
61.29531	0.3
64.59932	0.4
71.01377	20.7
72.99329	0.4
73.02943	7.2
83.01389	3.6
85.02475	0.6
85.02949	12.0
87.00848	0.7
89.02447	5.6
95.01385	2.2
97.02937	0.5
99.00874	3.3
101.02436	17.9
113.02441	11.5
119.03451	1.8
125.02425	0.6
129.01924	0.6
134.47411	0.4
143.03493	0.6
159.02911	1.4
161.04535	2.6
198.31976	0.4
244.27553	0.4
311.84378	0.4
357.98816	0.4
397.27130	0.5
411.38824	0.4
415.28531	0.8
489.36011	2.0
783.45447	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	86.2
66.39896	0.5
69.41773	0.7
71.01377	14.3
73.02942	4.1
73.21143	0.6
83.01384	0.6
84.31539	0.5
85.02945	5.5
88.20779	0.5
89.02441	13.2
95.01355	0.7
101.02435	11.3
102.43496	0.6
113.02453	8.8
119.03467	4.4
127.83313	0.6
143.03461	0.9
161.04538	3.0
179.05594	2.6
191.76332	0.6
214.02608	0.6
643.32635	0.7
783.45465	42.6
827.44537	1.1
843.47559	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.475
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	89.1
63.24532	0.9
71.01377	14.5
73.02921	2.2
74.02435	0.9
83.01368	0.9
85.02932	5.3
89.02430	14.0
101.02441	11.8
102.03391	1.0
110.83672	0.9
113.02426	7.7
119.03476	5.0
131.03471	2.2
161.04552	2.2
168.73981	0.9
169.71524	1.0
179.05605	4.7
184.15334	1.0
189.08679	1.0
236.21419	0.9
643.20264	1.1
656.02759	1.0
783.45337	49.6
843.47491	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4752
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92126	0.9
59.01381	35.2
71.01376	23.1
73.02927	5.5
83.01392	1.9
84.24702	1.1
85.02946	8.4
87.00833	1.6
89.02438	24.2
99.00867	1.9
101.02434	20.4
101.49308	1.1
107.38460	1.3
113.02448	16.0
113.85097	1.1
119.03477	10.4
131.03505	11.9
143.03510	2.0
157.65903	1.1
159.02974	1.6
161.04536	15.3
179.05641	12.7
221.06673	16.7
276.73041	1.1
304.22690	1.1
413.30716	1.9
487.34613	1.6
489.35883	6.7
532.54767	1.2
783.45453	100.0
843.47748	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	843.4755
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	8.9
67.54275	0.6
71.01376	27.9
72.22302	0.7
73.02934	9.9
76.50365	0.6
83.01357	5.1
85.02948	13.3
87.00872	0.9
89.02449	5.5
92.22430	0.8
95.01388	3.0
97.02960	0.7
99.00871	3.9
101.02436	21.0
113.02452	14.4
118.43755	0.6
119.03500	1.2
129.63808	0.8
131.03474	1.4
138.25426	0.7
155.83415	0.8
159.02983	1.2
161.04558	4.1
178.05011	0.7
219.44453	0.7
783.45410	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01099	1.5
59.01380	27.0
66.34718	0.8
71.01372	17.2
73.02948	1.3
74.17513	0.9
78.90518	1.0
85.02934	3.5
89.02440	25.5
101.02436	14.4
101.35293	1.1
103.30737	0.9
113.02451	9.4
119.03485	8.2
161.61833	0.9
226.99974	1.1
280.68829	0.9
610.17499	1.0
633.42218	1.1
797.47003	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4843
Annotation	Unknow
Peak:m/z	Relative Intensity
63.60668	0.9
73.04031	1.5
74.02464	1.9
77.46943	0.9
78.24491	0.9
85.04060	1.3
95.02487	1.2
97.04053	0.9
113.02406	1.7
113.03547	1.6
127.05148	1.1
130.06210	6.5
130.81209	1.0
130.88924	1.1
131.04575	1.9
132.02957	1.0
132.25533	1.0
144.07779	1.9
144.33450	1.1
155.75639	1.1
165.12773	1.5
169.07301	1.2
187.08377	6.1
187.10912	3.9
192.89034	1.1
200.14000	3.9
209.06610	1.0
209.09404	1.2
226.11977	1.3
226.21765	2.0
235.13716	1.1
244.10484	5.8
244.12903	1.7
256.10541	1.9
257.16281	2.1
283.23834	5.9
301.12186	1.4
301.15189	5.3
313.15176	2.3
314.18350	2.0
322.25174	1.7
340.25983	6.0
358.17422	5.2
370.17197	1.5
371.20419	1.3
397.28403	7.6
415.19339	8.3
454.30325	1.9
472.20959	1.5
480.46857	1.1
511.32544	4.5
739.43768	5.3
820.63800	1.3
843.48419	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.5276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	10.1
65.25541	0.8
71.01372	6.0
75.59934	0.9
85.02955	1.3
89.02443	4.7
101.02430	4.0
111.08140	1.8
113.02418	4.5
116.92853	3.6
119.03483	1.9
124.09144	1.0
129.80984	1.1
165.12878	12.5
181.12221	1.0
183.13911	66.0
197.15443	19.0
209.11765	1.5
225.14870	1.1
227.12923	1.5
244.85040	1.3
324.67917	1.3
362.42285	1.1
794.70367	1.2
843.52716	100.0
860.65558	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	47.3
59.01686	1.6
71.01384	8.3
73.02937	3.4
75.00865	1.1
84.12267	0.8
84.78963	0.8
85.02954	1.6
89.02447	2.2
95.01433	0.9
99.00864	1.0
99.04514	65.5
101.02451	19.3
113.02470	6.1
125.02441	27.1
134.03738	0.9
143.03484	3.8
151.13235	1.0
159.02956	1.4
161.04555	7.7
193.05098	1.5
249.13396	3.7
295.89615	1.1
307.17648	6.6
345.08936	1.0
349.18713	21.1
389.21823	1.9
393.17752	9.0
407.23050	1.9
451.21918	100.0
801.37982	1.2
836.75488	1.1
845.28894	1.9
845.44836	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	845.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	65.9
62.65823	2.2
68.65855	2.1
71.01382	11.2
73.02940	4.6
82.01913	2.5
84.65044	2.1
85.02937	4.9
85.42474	2.5
89.02441	6.3
99.04511	70.8
101.02451	21.7
112.86917	2.7
113.02438	13.7
122.08823	2.9
125.02433	31.1
125.22713	2.7
143.03464	2.7
161.04494	8.7
163.04128	3.2
165.01901	3.1
175.04030	3.1
193.05055	2.8
206.29938	2.4
235.22900	2.8
249.13434	4.7
261.74930	3.1
271.06125	8.8
298.04794	2.9
299.05649	30.7
307.17557	4.2
349.18503	19.8
393.17734	33.1
451.21942	100.0
517.91174	3.0
623.16150	15.8
768.69720	3.3
845.28973	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	845.4701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.9
59.78572	0.5
62.07256	0.4
66.62728	0.5
71.01380	0.9
82.90381	0.5
85.02937	1.1
89.02446	0.7
101.02410	0.9
113.02393	0.7
132.02161	0.8
134.03748	11.0
149.06075	3.0
150.69627	0.6
160.01646	21.0
161.02409	0.8
175.03999	95.8
178.02715	0.7
178.14705	0.5
179.03430	1.0
193.05061	24.2
221.04507	0.7
252.34320	0.7
299.64359	0.6
384.33749	0.6
400.80374	0.6
411.58356	0.8
830.43915	0.9
845.46985	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01102	0.5
59.01381	11.6
68.72652	0.3
69.60098	0.3
71.01380	19.8
73.02949	6.5
76.32564	0.4
81.52761	0.3
83.01389	2.8
85.02940	11.4
87.00873	0.8
87.04514	1.3
89.02442	6.3
95.01378	2.4
95.29692	0.3
99.00886	3.1
101.02441	19.7
113.02444	11.9
119.03511	2.4
123.87267	0.3
125.02390	0.5
159.02945	0.8
161.04538	3.6
397.30875	0.7
398.22049	0.4
415.32263	6.3
475.34378	2.6
489.35907	5.8
491.37476	22.9
623.41577	0.6
785.47040	100.0
845.48529	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	845.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	7.7
59.01652	0.8
71.01010	1.0
71.01379	19.7
73.02932	8.0
80.27125	0.5
83.01380	3.4
85.02950	10.9
87.04502	1.2
89.02436	6.7
95.01396	1.3
97.30276	0.6
99.00887	3.2
101.02444	16.8
113.02436	10.6
119.03475	0.8
141.73485	0.6
159.02997	1.1
161.04550	3.0
294.70453	0.7
397.79321	0.6
415.32123	5.2
475.34265	1.4
489.35831	4.0
491.37448	18.4
621.38312	0.8
785.47021	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	6.2
69.64903	0.6
71.01378	19.4
73.02943	8.6
78.22712	0.5
83.01382	2.7
85.02948	11.2
87.00882	1.0
87.04507	3.0
88.22919	0.7
89.02450	4.9
92.23169	0.7
95.01395	1.3
99.00876	4.2
101.02441	18.3
108.03932	0.6
113.02450	10.5
115.30642	0.6
119.03470	1.2
125.02389	0.8
161.04529	2.4
262.34717	0.6
289.53217	0.7
341.86053	0.6
355.26270	1.4
373.27408	6.8
388.39029	0.8
489.36023	1.5
491.30472	1.1
491.37534	24.3
587.72534	0.7
749.25470	0.7
785.47058	100.0
845.41638	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.491
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	12.9
69.16191	0.9
71.01366	21.1
73.02943	6.8
74.75568	0.9
80.09897	1.0
81.09325	0.9
83.01385	2.3
85.02944	12.1
87.04486	1.8
89.02443	8.9
92.22487	1.2
95.01386	1.3
99.00845	1.9
101.02435	17.5
113.02441	8.6
119.03488	2.1
123.37614	1.1
130.49054	1.2
159.10197	2.0
161.04614	1.8
283.50345	1.2
308.02112	1.3
415.32065	1.4
489.36261	1.9
491.37482	15.7
522.43463	1.4
623.41718	5.2
754.86682	1.3
785.46906	100.0
806.02570	1.2
817.63605	1.7
845.42285	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	846.4493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	1.7
61.66881	0.9
61.98833	100.0
65.54675	0.9
66.27165	1.0
71.01381	8.2
78.95891	1.9
85.02943	2.7
89.02493	1.3
101.02464	4.5
102.02776	1.3
113.02441	2.0
113.70488	1.3
146.72816	1.4
158.92598	1.6
242.21069	1.5
348.16440	1.3
462.88696	1.2
784.45789	1.7
786.46399	25.8
846.45447	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	847.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.7
60.69959	0.4
71.01381	0.4
73.98749	0.4
89.02435	0.5
92.22412	0.5
101.02411	0.5
118.81382	0.4
119.03440	0.6
189.46385	0.5
195.17442	0.4
340.23837	0.5
774.39417	0.5
811.45868	3.4
847.42548	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	847.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01105	0.5
59.01381	7.5
65.03896	0.2
71.01377	17.4
71.18554	0.2
72.99301	0.5
73.02939	12.8
75.00862	0.5
75.06273	0.3
83.01375	3.4
85.02945	9.7
87.00877	1.1
89.02431	5.0
92.23022	0.4
95.01382	1.3
97.02953	1.7
99.00867	4.7
99.04524	0.9
101.02438	29.2
103.00561	0.2
103.03338	0.2
107.75137	0.2
111.00858	0.3
113.02438	12.1
115.04018	0.5
125.02409	1.8
129.01949	1.0
131.03488	2.0
143.03488	1.9
143.19801	0.3
149.04604	0.3
158.88072	0.2
159.02979	3.3
161.04544	11.1
188.93730	0.3
199.13449	0.6
233.06645	1.0
291.18158	18.0
313.73053	0.3
343.54086	0.3
421.20700	0.4
422.21289	0.4
423.22406	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
61.48148	0.3
70.06792	0.2
73.11520	0.2
78.95898	3.3
81.47611	0.2
85.20913	0.2
92.75434	0.2
110.98535	5.0
118.17815	0.2
140.52139	0.2
152.99608	0.3
153.73717	0.2
167.01141	11.1
170.13031	0.3
185.02234	2.4
185.03639	0.3
192.59180	0.2
199.97427	0.2
253.65979	0.2
255.23323	100.0
313.91501	0.2
423.25244	56.4
696.44794	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	849.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	7.5
71.01379	9.9
72.99298	11.9
73.02927	2.0
75.00861	10.5
78.83524	1.2
83.01379	1.0
85.02940	17.7
87.00852	2.7
89.02431	5.2
93.73361	1.0
95.01362	2.4
99.00854	6.5
101.02434	2.7
103.00369	8.2
113.02441	42.6
115.00326	1.8
131.03477	4.5
156.67842	1.3
157.01456	1.4
175.02466	6.2
193.03514	16.9
197.05554	1.2
198.61131	1.2
203.08084	1.1
206.39214	1.2
235.04753	1.3
289.05548	2.2
299.05606	1.5
351.05786	15.6
453.29764	1.7
849.35358	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.504
Annotation	Unknow
Peak:m/z	Relative Intensity
64.82639	0.6
69.61869	0.7
70.46103	0.6
71.01370	3.1
73.35977	0.6
76.30562	0.6
78.98590	2.5
79.95727	4.2
80.96515	32.9
85.02924	1.6
87.00861	1.2
94.98063	9.2
97.02972	1.1
101.02451	1.1
106.98058	2.8
122.97563	2.6
125.02418	3.9
127.04015	0.9
134.97575	3.3
136.99133	3.0
148.99123	5.3
152.98627	6.3
164.62701	0.7
164.98610	13.8
180.11285	0.7
206.99706	5.1
225.00757	30.1
250.13799	0.7
255.23355	1.7
481.26807	0.7
537.27545	4.1
593.26556	3.9
814.57397	0.8
849.50415	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.538
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	14.8
71.01369	1.1
71.05014	1.0
89.02436	1.1
101.02448	2.5
101.30116	0.5
119.03482	0.8
134.29004	0.7
161.04565	0.7
223.17085	2.4
234.28773	0.6
235.08246	2.6
235.17059	13.7
253.09286	6.6
264.47519	0.6
275.20193	17.1
277.21738	100.0
293.21252	56.4
513.30682	4.0
529.30188	4.1
566.12830	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.6032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.8
60.49459	0.4
66.51645	0.4
71.01376	0.6
72.17120	0.6
81.56532	0.5
95.05018	0.9
95.10924	0.5
101.02443	0.5
105.65800	0.6
112.07675	8.7
113.02406	0.7
113.06077	2.9
129.10313	5.6
130.08720	14.6
149.40479	0.5
153.80528	0.6
190.28191	0.6
207.15048	6.7
208.13451	0.9
224.17760	3.7
224.56023	0.5
225.16086	34.1
225.18317	1.2
234.54971	0.5
242.18855	0.7
320.23499	3.1
337.26178	3.9
338.24573	9.1
399.96097	0.6
433.31815	3.3
436.60953	0.5
450.34479	4.1
451.32690	5.3
546.40173	0.9
563.43176	3.0
564.41351	2.7
659.48566	1.0
659.98212	0.6
676.51172	2.0
772.56964	7.0
790.58179	100.0
850.60345	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	851.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	44.7
59.33455	0.8
69.03465	1.0
71.01374	8.8
73.02943	8.3
85.02958	1.6
85.41854	0.9
85.46578	1.0
87.61793	1.1
89.02420	1.0
92.22779	1.9
97.03020	1.0
99.00887	1.2
101.02441	12.8
113.02425	10.1
145.05208	1.3
149.09705	6.8
150.55734	1.0
153.09181	1.2
159.03030	1.9
160.45490	1.1
161.04582	16.3
161.09689	9.2
161.49323	0.9
167.10771	1.6
179.10756	7.8
189.04314	17.8
203.05495	1.4
205.12305	1.8
212.12263	1.2
221.06923	8.3
229.09479	1.0
231.11383	1.4
235.08247	10.0
243.11322	3.8
255.11407	6.1
264.68259	1.2
267.11411	11.4
277.09070	1.6
299.10339	6.7
311.10486	21.8
329.11600	1.7
331.13113	4.1
343.12952	17.1
361.14096	60.6
385.18579	2.0
403.19852	4.9
445.20844	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01147	0.6
59.01387	11.2
60.43557	0.6
65.12212	0.5
66.27692	0.5
71.01379	15.7
72.99310	0.7
73.02946	1.6
75.00867	9.4
83.01389	0.7
84.59705	0.6
85.02946	9.2
87.00861	0.8
88.54269	0.6
89.02422	9.8
93.03478	0.9
95.01382	2.9
99.00876	14.5
101.02431	10.9
102.81056	0.6
111.04516	3.5
113.02439	17.3
119.03497	3.7
139.00349	0.9
147.07338	0.7
157.01508	0.9
165.05557	0.7
205.05063	0.9
237.70558	0.7
244.29726	0.7
278.57114	0.8
278.59991	0.7
324.17667	0.7
363.26987	0.9
411.29105	4.0
451.28757	2.8
469.29385	5.7
525.32129	3.2
543.33514	1.4
583.33270	1.2
627.32416	0.8
677.50183	1.0
760.15454	0.8
807.38165	1.5
851.37201	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01147	0.6
59.01387	11.2
60.43557	0.6
65.12212	0.5
66.27692	0.5
71.01379	15.7
72.99310	0.7
73.02946	1.6
75.00867	9.4
83.01389	0.7
84.59705	0.6
85.02946	9.2
87.00861	0.8
88.54269	0.6
89.02422	9.8
93.03478	0.9
95.01382	2.9
99.00876	14.5
101.02431	10.9
102.81056	0.6
111.04516	3.5
113.02439	17.3
119.03497	3.7
139.00349	0.9
147.07338	0.7
157.01508	0.9
165.05557	0.7
205.05063	0.9
237.70558	0.7
244.29726	0.7
278.57114	0.8
278.59991	0.7
324.17667	0.7
363.26987	0.9
411.29105	4.0
451.28757	2.8
469.29385	5.7
525.32129	3.2
543.33514	1.4
583.33270	1.2
627.32416	0.8
677.50183	1.0
760.15454	0.8
807.38165	1.5
851.37201	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01109	0.4
59.01381	3.3
67.16319	0.4
68.67033	0.3
69.07754	0.3
69.39857	0.3
71.01393	1.3
72.00945	0.3
75.12122	0.4
79.95737	2.0
89.02424	1.4
94.98061	0.9
95.68522	0.3
96.96003	100.0
98.90693	0.4
101.02442	0.9
113.02440	1.4
113.37853	0.4
119.03447	0.6
123.65450	0.4
149.97903	0.4
158.98534	0.3
283.02429	0.6
298.04855	0.9
299.05643	2.4
483.30661	0.5
668.30725	0.4
709.41833	2.4
739.09479	0.5
791.29816	0.4
851.38794	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	851.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01109	0.4
59.01381	3.3
67.16319	0.4
68.67033	0.3
69.07754	0.3
69.39857	0.3
71.01393	1.3
72.00945	0.3
75.12122	0.4
79.95737	2.0
89.02424	1.4
94.98061	0.9
95.68522	0.3
96.96003	100.0
98.90693	0.4
101.02442	0.9
113.02440	1.4
113.37853	0.4
119.03447	0.6
123.65450	0.4
149.97903	0.4
158.98534	0.3
283.02429	0.6
298.04855	0.9
299.05643	2.4
483.30661	0.5
668.30725	0.4
709.41833	2.4
739.09479	0.5
791.29816	0.4
851.38794	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	851.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	12.1
69.11236	0.4
71.01382	10.0
72.99295	2.0
73.02937	3.2
74.36103	0.5
75.00867	15.1
76.46619	0.4
83.01379	0.7
85.02942	12.5
87.00852	3.8
89.02431	3.2
95.01375	2.1
96.61913	0.4
97.00138	0.5
97.02927	0.5
99.00885	5.4
101.02427	3.8
111.00832	0.6
113.02444	18.8
115.00368	1.8
115.03984	0.5
125.02436	0.6
131.03477	2.1
157.01340	0.7
159.74020	0.5
173.04489	3.4
175.02454	0.7
299.05695	0.7
321.30554	0.5
402.08347	0.5
471.34927	0.8
535.35577	0.6
783.48926	0.7
851.44409	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	851.4437
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01099	3.4
59.01381	68.1
64.08649	1.8
67.61638	1.6
71.01375	43.4
72.17838	1.7
73.02934	26.7
75.00853	3.8
83.01382	4.6
85.02930	18.3
87.00882	2.9
89.02444	31.2
95.01387	4.8
96.95989	4.2
99.00871	18.5
101.02444	33.6
113.02433	34.5
119.03495	12.2
125.02390	3.2
139.53145	2.0
150.87546	2.4
151.11041	2.1
161.04552	3.9
179.05634	5.0
327.11981	2.1
403.26187	4.6
451.28574	14.0
497.51483	2.2
525.07849	2.3
565.32410	7.0
629.36456	3.8
717.11139	2.3
749.00861	2.4
763.77063	2.3
791.42334	21.9
809.43402	10.5
851.37958	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	851.4444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	96.9
69.17433	1.7
71.01381	29.8
73.02946	17.1
75.00885	1.7
83.01381	7.5
85.02940	11.3
89.02423	27.4
95.01395	3.0
101.02438	28.2
113.02454	23.9
119.03459	3.6
131.03557	1.9
143.03506	2.3
149.04506	2.8
161.04483	7.3
162.90160	1.8
168.00641	2.1
179.05682	2.0
221.06473	2.0
317.67734	1.9
393.55383	2.0
485.58823	1.9
747.43262	30.0
765.44183	18.5
791.43066	1.9
807.45392	100.0
807.60632	3.3
851.45569	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	851.4447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01099	2.5
59.01382	48.4
60.83299	1.2
65.83965	1.6
71.01379	28.4
73.02936	5.3
83.01381	2.6
85.02955	10.1
89.02442	20.9
89.24861	1.2
95.01378	1.9
99.00842	2.1
99.80556	1.7
101.02437	14.2
106.69305	1.3
113.02422	18.9
119.03476	7.2
121.29884	1.3
131.03474	1.5
165.15257	1.2
232.78232	1.4
320.00964	1.6
471.34631	2.2
747.43170	34.6
765.44379	11.8
807.45404	100.0
872.41882	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	853.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	32.6
73.02941	78.9
73.91193	1.4
83.01386	17.6
83.84258	1.5
85.02931	7.9
89.02438	16.6
95.01382	1.9
99.00884	1.8
101.02438	70.8
110.17151	1.2
113.02435	39.9
114.43918	1.3
119.03492	10.9
123.04513	5.1
125.02412	5.1
131.03487	7.6
136.01645	6.7
143.03499	6.8
147.05972	1.4
149.04553	15.9
151.04002	53.4
155.03467	1.8
161.04547	33.2
175.07596	1.5
179.05609	5.5
181.73831	1.4
183.98170	1.5
188.04871	1.6
191.03502	2.0
201.98885	1.6
203.05569	5.7
203.07213	8.0
210.15692	1.4
221.06694	24.5
238.29417	1.5
263.07315	2.1
268.11096	1.9
278.09387	2.5
279.06604	7.7
281.08154	3.1
289.89362	1.4
292.07550	2.0
293.08197	2.6
294.08978	12.6
296.10516	8.6
306.08829	1.8
307.09775	2.4
308.10684	9.3
308.13699	1.6
309.07803	75.9
309.11313	17.0
323.09305	3.4
324.10068	99.2
339.12378	100.0
357.13470	33.6
394.58679	1.6
501.18039	2.9
519.18616	3.1
531.18634	16.3
543.18744	67.6
561.19867	30.4
585.19623	14.4
603.20538	6.3
865.38904	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	853.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	1.8
71.01378	50.4
72.99302	1.3
73.02942	100.0
75.00864	2.9
83.01389	21.2
85.02953	8.0
86.02678	0.7
87.00851	1.4
89.02435	23.6
95.01382	4.4
97.02907	1.2
99.00877	3.7
101.02438	81.0
105.21968	0.7
111.14764	0.7
113.02441	41.0
119.03500	13.9
125.02395	3.0
131.03503	8.6
143.03473	9.9
149.04550	12.5
152.09821	0.8
155.03493	1.8
161.04556	26.5
179.05539	2.6
181.12263	0.9
203.05655	4.2
221.06683	14.8
225.11363	3.7
266.59012	0.8
268.03751	6.5
283.06165	12.3
284.03439	1.1
291.06754	1.6
293.08337	0.9
306.08929	3.2
307.09741	1.2
308.10660	3.1
321.11270	1.6
324.10092	1.5
339.12454	2.9
365.28040	1.0
381.13477	3.4
405.17926	7.0
483.16806	3.0
501.17560	10.0
543.18787	79.3
585.20245	1.2
809.36133	1.3
834.78497	1.0
835.34082	1.3
853.38330	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	853.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
60.02237	1.3
61.44215	1.3
70.78806	1.2
81.23335	1.5
153.73441	1.6
165.01891	2.3
211.70853	1.5
255.02924	5.9
277.21710	2.0
283.02505	71.3
284.03281	3.0
298.04837	100.0
299.05637	11.5
369.53146	1.7
542.36505	1.6
574.65350	1.5
575.14209	13.1
593.15466	3.2
761.02112	1.8
776.03888	1.8
853.36188	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	853.366
Annotation	Unknow
Peak:m/z	Relative Intensity
71.60081	0.6
73.06426	0.6
73.45438	0.6
73.51944	0.6
74.12495	0.6
80.96517	6.6
80.96899	1.0
94.98060	1.1
99.26141	0.6
112.45025	0.7
120.53743	0.7
152.98637	1.3
164.98546	2.8
165.01898	1.3
179.61551	0.7
191.32773	0.7
225.00757	5.0
255.03024	9.4
269.04715	0.8
271.06003	1.5
283.02493	100.0
284.03314	6.0
296.84467	0.6
298.04840	77.4
299.05649	11.0
347.80066	0.7
366.32077	0.6
394.47281	0.7
853.35803	91.6
853.47308	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	853.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
60.56182	0.5
69.91862	0.5
71.01381	15.4
73.02941	7.9
75.00867	7.1
83.01397	1.5
85.02946	9.0
89.02441	9.4
90.24892	0.6
95.01384	3.9
95.97249	0.7
97.70763	0.6
99.00877	10.9
101.02441	14.5
112.01640	0.7
113.02444	14.0
113.46410	0.6
116.20766	0.6
119.03479	3.6
122.19782	0.6
125.02448	1.4
127.03999	1.2
130.07140	0.8
139.04076	0.7
156.53902	0.6
157.01422	1.5
161.04562	1.0
163.75703	0.7
168.06671	0.5
256.95590	0.7
339.12500	1.0
387.25540	1.0
405.17749	0.7
426.07568	0.7
487.61459	0.8
501.28821	1.3
520.92218	0.8
535.37000	0.8
543.18799	5.6
575.09174	0.8
629.85114	0.8
853.38672	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.3875
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	0.9
65.09179	0.9
65.58411	0.9
71.01375	11.8
75.00855	10.1
85.02944	17.4
89.02439	11.2
92.22536	1.3
95.01343	1.6
95.50364	1.0
97.02972	1.0
99.00865	10.4
101.02422	5.4
112.01582	1.4
113.02444	24.4
157.01425	1.4
195.30885	0.9
234.46068	1.2
339.23196	1.4
375.27100	1.3
387.25354	1.5
423.28885	2.3
534.71234	1.3
537.32025	1.6
807.37897	4.0
814.91272	1.2
821.20532	1.3
853.38635	100.0
855.46857	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	853.3874
Annotation	Unknow
Peak:m/z	Relative Intensity
63.77818	0.5
64.58714	0.4
71.01377	15.2
72.99302	11.0
73.02934	2.9
75.00517	0.6
75.00875	9.9
78.20358	0.4
83.01388	0.8
85.02947	16.4
87.00851	3.5
89.02435	6.3
95.01406	4.6
99.00883	7.5
101.02448	6.0
103.00365	6.4
111.00834	0.5
112.01624	0.6
113.02442	41.5
115.00347	2.5
117.01913	1.7
129.01926	2.5
131.03505	5.3
133.01430	0.9
157.01425	3.4
175.02470	8.1
193.03549	18.6
226.26718	0.4
235.04601	2.8
289.05649	2.6
299.05444	0.4
351.05740	20.3
353.84479	0.6
471.31006	3.3
585.33997	1.0
647.34387	0.6
677.34680	0.6
823.38403	0.8
853.38672	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.3872
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	12.4
73.02940	1.1
75.00867	5.3
80.16216	0.6
83.01395	1.1
85.02954	8.9
87.00864	1.0
89.02422	5.2
89.25635	0.8
95.01360	1.7
99.00871	13.4
101.02438	7.7
112.90457	0.6
113.02438	18.0
115.00337	1.1
118.72893	0.6
119.03497	1.1
127.07642	0.6
136.56714	0.6
140.34340	0.6
150.73459	0.7
157.01424	1.2
161.04559	0.9
248.69765	0.7
272.18127	0.8
389.24976	1.0
390.25571	1.4
405.27991	2.6
435.29004	1.0
437.26785	1.4
453.30182	4.4
515.29968	2.9
536.42841	0.7
601.33752	0.7
673.32361	3.2
791.39752	1.0
853.38684	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	853.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99313	9.0
70.45374	0.8
71.01366	1.6
73.02933	2.0
75.74751	1.0
82.53226	0.9
88.98798	100.0
89.02451	2.1
89.91640	0.7
92.23150	0.8
96.96050	0.9
101.02444	3.6
103.10403	0.8
110.58626	0.7
113.02448	1.7
114.12860	0.9
161.04535	1.6
165.45073	0.8
200.73352	0.9
221.06528	1.2
265.14758	1.2
280.19873	1.2
313.24680	0.9
440.88123	1.1
659.41742	4.0
677.42706	3.7
719.43805	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	853.4586
Annotation	Ophiopogonin D
Peak:m/z	Relative Intensity
67.08698	0.3
68.65856	0.3
71.01382	19.6
72.99317	0.4
73.02945	5.0
76.63033	0.3
83.01380	1.6
85.02950	3.7
85.59711	0.3
87.00864	6.1
89.02441	31.3
95.01382	1.7
97.02930	0.7
99.00919	0.4
101.01772	0.8
101.02441	22.7
111.00921	0.4
113.02440	13.2
119.03477	6.5
125.02432	1.4
131.03502	14.5
143.03500	2.0
161.04556	5.4
179.05618	7.3
221.06676	14.8
283.02515	0.3
341.11072	0.6
449.49017	0.4
469.56818	0.3
691.40533	1.5
775.41376	0.4
809.45685	0.5
853.46027	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4583
Annotation	Ophiopogonin D
Peak:m/z	Relative Intensity
60.78263	0.7
61.36978	0.9
68.53351	0.7
71.01379	37.0
72.99290	1.0
73.02949	15.4
81.39189	0.8
83.01384	6.8
85.02942	14.4
87.00911	1.2
89.02434	30.5
95.01402	5.6
99.00895	2.1
101.02432	29.9
113.02443	30.1
119.03487	10.6
125.02429	0.9
143.03554	1.2
161.04584	5.3
179.05649	3.9
183.10284	1.6
184.33907	1.0
201.11334	10.4
213.56059	0.9
418.30200	1.0
448.00522	0.9
631.40015	1.1
793.43872	60.8
811.45044	15.9
853.46301	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4591
Annotation	Ophiopogonin D
Peak:m/z	Relative Intensity
69.56957	0.6
71.01379	37.3
72.02859	0.7
73.02944	8.2
74.54370	0.7
80.90442	0.7
83.01373	4.0
85.02942	10.6
87.00857	1.1
89.02435	36.6
95.01380	4.0
97.02962	0.7
101.02441	26.2
113.02440	28.2
119.03488	11.7
120.73429	0.6
135.89836	0.7
149.04610	0.9
161.04535	3.0
179.05577	3.9
257.59726	0.7
285.38031	0.7
289.80420	0.8
391.85037	0.8
631.38623	1.4
718.51080	0.8
774.80042	0.9
793.43933	56.0
809.40381	1.0
811.45178	16.0
853.45996	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4597
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	23.5
73.02937	12.2
82.12560	0.5
83.01384	3.6
85.02937	10.2
86.74396	0.5
89.02434	16.9
92.23200	0.6
95.01366	3.4
95.37978	0.5
99.00823	0.6
101.02441	16.8
110.55869	0.6
113.02442	22.1
114.41168	0.7
119.03497	6.6
124.01566	0.6
125.02401	0.7
131.03558	0.7
134.91711	0.5
144.35518	0.6
161.04547	2.1
168.51756	0.5
190.20381	0.6
260.18073	0.5
270.41046	0.5
319.88742	0.6
464.49612	0.5
477.02576	0.7
535.10858	0.6
749.44934	27.1
767.45636	9.9
809.47021	100.0
853.45575	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4597
Annotation	Unknow
Peak:m/z	Relative Intensity
63.46366	0.5
66.13586	0.6
71.01010	1.0
71.01379	22.9
72.99300	1.0
73.02941	1.1
75.52457	0.6
76.57936	0.7
79.41145	0.5
83.01380	1.5
85.02944	11.1
87.00851	1.1
89.02437	22.9
95.01373	4.6
101.02438	15.5
105.93156	0.7
113.02441	31.7
119.03490	7.1
138.25667	0.7
143.03429	1.0
145.16643	0.7
161.04546	2.9
179.05556	1.1
325.07257	0.7
691.40826	2.5
793.45447	3.0
809.46222	0.7
853.45972	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	3.7
73.02934	1.6
78.98573	3.6
79.95736	10.1
80.96510	38.4
81.03450	0.9
85.02938	1.7
87.00852	2.1
94.98061	11.6
96.96013	0.9
97.02959	0.6
101.02415	2.3
106.98049	1.5
110.54018	0.4
122.97547	2.6
125.02421	3.4
134.97556	4.5
136.99146	1.9
148.99118	6.2
152.98642	8.6
164.98615	13.7
167.00209	0.7
187.98039	0.5
188.98604	0.5
206.99710	3.9
208.15865	0.5
225.00734	31.6
277.21722	1.8
283.04895	1.8
341.05502	1.9
355.06989	0.7
411.13358	0.6
559.25922	3.4
575.25262	2.5
593.25897	0.6
631.27954	2.0
645.29187	0.6
657.93195	0.5
673.32605	0.5
715.37598	0.6
853.47766	100.0
889.81525	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96233	0.4
67.90089	0.4
71.01373	4.9
73.02943	1.7
78.98203	0.4
78.98583	4.4
79.95708	4.2
80.96512	43.3
81.03469	0.5
85.02938	2.1
87.00850	2.4
94.98080	11.6
96.96001	0.5
97.02914	0.8
98.15965	0.4
99.00889	0.7
101.02420	2.8
106.98077	2.4
113.02442	0.4
122.97572	2.9
125.02422	2.7
127.04005	1.6
134.97585	4.5
136.99110	2.3
146.97688	0.4
148.07971	0.4
148.99156	7.5
150.97542	0.4
152.98631	8.2
164.98622	16.6
167.00201	0.6
179.00240	0.5
188.98608	0.6
206.99709	4.2
225.00752	27.4
277.21759	2.1
283.04932	0.5
418.61267	0.4
424.32339	0.4
559.25781	2.4
575.25348	2.2
853.47827	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01365	3.5
72.51965	0.4
73.02940	1.0
77.88512	0.5
78.98582	4.0
79.95740	3.9
80.96510	38.8
81.03431	0.7
85.02925	2.5
87.00862	2.0
89.38280	0.5
94.98071	10.3
95.21927	0.5
96.96009	0.6
97.02931	1.2
101.02415	2.3
106.98070	2.5
111.94941	0.5
114.00630	0.6
122.97582	3.8
122.98327	0.5
125.02489	3.4
127.04002	1.0
134.37202	0.5
134.97562	3.9
136.99155	0.8
148.99146	6.0
152.98650	7.8
155.43927	0.5
156.14949	0.5
158.80861	0.4
164.98619	15.5
206.99669	3.1
225.00739	27.8
234.20381	0.5
258.32144	0.5
277.21674	1.2
396.42624	0.6
491.56250	0.6
559.25873	2.5
575.25238	2.5
853.47778	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01374	5.2
73.02931	1.1
78.84160	0.5
78.98596	4.5
79.95737	6.9
80.96515	38.0
80.96991	1.5
85.02954	1.5
87.00861	2.6
94.98070	10.7
97.02895	0.8
101.02412	2.9
106.98077	1.1
122.97556	3.3
125.02412	3.5
127.04004	1.1
134.97572	4.8
136.99158	1.3
148.99115	6.3
152.98624	6.7
164.98628	16.2
167.00159	0.9
188.12030	0.7
206.99706	5.2
224.98579	1.3
225.00752	31.1
277.21719	2.3
283.04926	0.9
286.47107	0.6
311.74457	0.6
318.09259	0.6
355.07220	0.8
559.25549	3.2
564.73663	0.7
575.25342	1.3
631.27509	0.9
741.36450	0.7
853.47833	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.5766
Annotation	Unknow
Peak:m/z	Relative Intensity
60.69734	0.3
61.79572	0.4
61.98831	100.0
91.02214	0.4
92.23039	0.5
112.07673	0.7
130.08743	1.0
146.33723	0.4
149.93839	0.4
159.87274	0.4
220.20284	0.4
225.16096	1.9
226.16368	1.7
227.16537	0.5
235.76334	0.5
327.31046	0.4
352.89371	0.4
657.11194	0.4
775.58575	0.9
791.59308	0.8
792.58038	0.7
793.59131	13.6
853.57721	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	855.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
59.66993	0.6
60.42496	0.6
61.60196	0.5
66.64536	0.5
68.38687	0.6
71.01365	2.9
73.02939	0.9
77.55315	0.6
83.01434	0.6
85.02950	1.1
89.02437	3.2
91.00455	0.7
94.07873	0.6
95.74793	0.8
97.61803	0.7
101.02438	4.4
107.01357	0.7
113.02446	3.2
119.03469	0.8
120.30286	0.6
130.70456	0.7
133.35796	0.7
151.00374	5.1
152.93652	1.0
160.01570	1.2
161.02443	5.1
175.03995	3.7
178.99852	7.3
183.40611	0.6
187.11296	0.9
193.05058	1.6
210.80026	0.8
214.02690	1.3
227.03490	1.5
229.01575	0.9
230.02365	0.8
242.02197	4.1
243.02934	1.0
244.60873	0.7
245.00739	1.0
254.02135	3.0
255.03049	1.5
256.03680	2.4
270.01730	9.7
271.02478	6.8
272.03168	1.1
283.02475	1.2
284.03265	1.6
285.04053	1.4
298.01227	2.5
298.04611	0.9
299.01984	16.9
300.02890	5.7
301.03525	6.5
311.02112	1.6
313.03781	4.5
389.06668	2.5
397.23059	0.7
400.05765	0.8
403.04599	1.3
415.05057	0.9
417.06149	11.7
418.06812	2.7
419.07321	0.8
419.73413	0.8
431.04150	1.6
432.04889	3.7
445.05783	4.5
446.06387	5.4
447.07056	0.7
448.07846	0.7
459.03543	1.0
460.04443	3.9
473.10907	1.1
474.06042	5.7
475.06708	16.2
573.22333	0.9
650.19916	0.9
677.93079	0.8
707.38654	0.9
767.18597	4.6
767.40472	2.7
795.45740	1.5
811.17413	100.0
855.33374	4.6
855.48010	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	855.1994
Annotation	Palargonidin 3-(6''-ferulylglucoside)-5-(6'''-malonylglucoside)
Peak:m/z	Relative Intensity
68.91055	0.4
72.99305	0.5
78.29266	0.4
82.52396	0.4
82.57042	0.5
85.18407	0.4
92.22504	0.6
102.57741	0.5
131.43292	0.4
134.03751	3.6
135.04523	0.5
139.95340	0.4
157.30887	0.4
160.01596	3.4
161.02435	0.6
165.01900	2.7
175.04037	5.3
179.03522	0.5
193.05128	1.9
255.03024	5.0
256.03824	0.5
269.04715	0.6
271.06183	1.9
283.02487	64.3
284.03375	1.7
298.04843	100.0
299.05582	8.8
357.98785	0.4
617.15118	20.7
635.16302	8.3
641.68164	0.7
811.21002	56.4
823.05682	0.6
855.47449	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.1993
Annotation	Palargonidin 3-(6''-ferulylglucoside)-5-(6'''-malonylglucoside)
Peak:m/z	Relative Intensity
87.51563	0.5
104.34010	0.6
106.15138	0.6
134.03770	4.4
160.01704	4.3
165.01932	2.9
175.04007	5.2
179.03516	0.9
193.05124	1.4
199.58003	0.6
209.53230	0.7
216.99521	0.7
255.02997	5.0
271.06064	2.3
283.02490	69.9
284.03275	1.4
298.04837	100.0
299.05588	10.7
387.90732	0.6
445.98804	0.6
607.14966	1.0
617.15198	24.2
635.16309	12.1
746.40039	0.7
811.20996	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	855.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
63.72663	0.4
65.81948	0.5
73.22733	0.5
75.05448	0.5
90.59760	0.6
93.03463	0.9
93.10953	0.6
104.47272	0.5
117.03397	0.7
119.05031	1.0
139.11713	0.5
140.27931	0.6
145.01833	1.0
145.02951	22.3
163.04012	3.3
165.01918	20.7
204.44774	0.6
240.04295	4.8
243.06540	0.7
255.03050	1.0
255.06563	1.2
271.06131	22.9
283.02515	15.0
284.03262	18.6
285.03964	0.7
298.04849	30.2
299.05627	98.3
307.08417	3.8
471.26459	0.6
503.12024	16.4
586.13751	0.6
607.14648	100.0
649.15619	0.7
811.20929	4.4
845.61554	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
67.64662	0.5
71.01379	1.1
73.02961	0.6
89.02406	1.1
101.02435	0.8
107.08861	0.5
113.02411	0.9
117.94390	0.6
129.91571	0.6
131.06113	0.6
134.03751	3.7
160.01665	9.5
161.02467	2.5
165.01939	2.9
175.03993	11.6
193.05083	0.8
243.99312	0.6
255.02936	5.7
271.06189	1.5
283.02487	64.7
284.03293	1.3
297.03940	0.8
298.04846	100.0
299.05685	10.1
312.06375	0.7
339.83185	0.6
617.15240	16.1
635.16083	13.4
765.05756	0.7
811.20953	55.6
811.46570	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	855.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
66.53596	0.2
67.93964	0.1
71.01371	1.0
73.02950	0.4
75.71981	0.2
79.04994	0.2
80.40649	0.2
85.02934	0.3
89.02417	0.7
99.04519	0.3
101.02441	0.8
109.51745	0.2
113.02451	0.5
117.17579	0.2
125.02412	0.2
165.01904	1.7
233.55624	0.3
255.02930	2.7
269.04544	0.8
271.06180	0.9
283.02493	39.5
284.03296	1.6
297.04050	0.3
298.04840	100.0
299.02243	0.2
299.05612	7.7
299.08795	0.4
301.89935	0.2
321.17700	0.2
341.06726	0.3
409.69879	0.2
467.72800	0.2
607.16919	0.8
649.17786	70.9
707.38641	1.2
725.39709	0.4
767.40631	1.4
799.90540	0.3
855.29846	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.3875
Annotation	Unknow
Peak:m/z	Relative Intensity
62.90206	0.9
65.09533	1.0
69.03461	1.2
71.01006	2.1
71.01377	37.8
73.02942	100.0
81.03484	1.1
83.01388	18.9
85.02959	6.8
89.02430	22.2
91.26042	1.2
95.01371	2.1
97.02921	1.5
99.00819	1.2
99.04517	1.0
101.02440	90.4
103.26232	1.1
113.02454	32.7
119.03477	11.9
125.02447	1.9
131.03474	9.9
143.03499	7.0
149.04552	16.4
150.03192	1.4
155.03491	2.3
161.03325	2.1
161.04564	41.2
161.05933	1.6
163.03967	2.0
175.03993	4.4
175.07651	4.2
178.06346	1.2
183.55977	1.0
188.04697	1.7
192.07944	1.2
193.05061	3.9
203.05719	2.3
205.04970	1.5
221.06685	70.1
249.13394	4.4
329.14014	22.9
359.15137	4.3
381.17688	10.2
387.20700	1.6
411.13156	2.0
411.20001	1.3
429.21338	82.1
473.20541	2.5
563.21619	5.7
595.36676	1.4
605.22052	1.6
607.20349	1.9
756.95313	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	855.4752
Annotation	Unknow
Peak:m/z	Relative Intensity
61.25348	0.2
67.09638	0.3
70.32672	0.2
70.61648	0.2
71.01377	18.1
73.02943	5.9
78.19703	0.2
83.00995	0.3
83.01392	3.6
85.02946	10.0
85.53669	0.3
87.00871	1.0
87.04489	1.1
89.02442	5.7
95.01366	1.6
97.02941	1.1
99.00900	2.6
101.02441	17.0
103.72102	0.2
111.00873	0.3
113.02445	12.1
119.03484	1.7
124.99841	0.3
125.02419	1.7
129.01918	0.3
131.03474	1.0
143.03513	1.5
159.02945	1.9
161.04561	3.9
173.84352	0.3
176.83986	0.3
198.57364	0.3
221.06697	0.6
250.53033	0.3
283.02362	0.4
289.41461	0.3
383.30334	0.3
401.30936	0.4
423.84030	0.3
489.35733	0.5
547.50476	0.3
795.44385	0.4
813.46814	3.2
855.47577	100.0
874.58447	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4748
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	22.0
71.01733	1.3
73.02947	1.2
76.23183	0.7
76.35485	0.6
81.19732	0.7
83.01379	1.0
85.02943	4.4
85.13610	0.6
89.02435	29.9
95.01382	1.5
99.78489	0.7
101.02440	15.9
113.02433	13.2
119.03494	7.8
129.36569	0.7
138.70906	0.8
142.33607	0.8
179.05612	1.4
255.18166	0.9
305.39114	0.7
309.83713	0.8
310.03537	0.8
565.06067	0.9
795.45453	100.0
813.45697	1.0
855.47748	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	855.4752
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	27.4
72.99310	0.7
73.02943	4.3
74.38861	0.4
83.01387	2.2
85.02946	10.0
87.00879	1.1
89.02438	29.7
95.01360	4.2
99.00848	1.1
101.02441	21.9
105.28519	0.5
110.08857	0.5
111.48237	0.5
113.02448	21.9
119.03500	9.7
121.19468	0.5
125.02425	1.1
129.73900	0.4
131.03474	0.6
131.04533	0.6
143.03532	0.6
160.01651	0.5
161.04527	1.9
163.03964	0.8
165.05644	0.7
175.04021	4.1
179.05617	0.8
193.05125	0.7
242.16666	0.5
283.02518	1.0
285.04056	0.5
298.04871	3.0
341.17126	0.9
361.56094	0.5
457.48309	0.6
607.23755	1.8
707.38287	1.1
767.40112	1.1
795.45502	30.9
811.22174	2.2
811.38617	0.8
813.46570	13.3
855.47601	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4752
Annotation	Cyanolide A
Peak:m/z	Relative Intensity
69.81048	0.3
71.01379	19.1
72.29530	0.3
72.99300	0.4
73.02938	2.1
78.73055	0.3
81.18558	0.4
83.01382	2.7
85.02947	9.1
87.00837	0.4
89.02435	20.8
95.01371	3.5
99.00864	0.4
101.02435	16.0
113.02440	26.2
119.03497	6.7
125.02399	0.3
129.32219	0.3
143.03514	0.5
159.02957	0.6
161.04576	2.8
165.01976	0.5
175.91150	0.3
179.05595	0.7
221.06631	0.4
255.03096	0.5
283.02481	5.4
284.02924	0.4
298.04837	7.4
299.05585	1.4
395.04581	0.3
438.80389	0.4
448.99118	0.4
617.15161	1.2
635.16333	1.5
693.42328	2.2
795.45416	0.7
811.20990	4.5
855.47577	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4759
Annotation	Unknow
Peak:m/z	Relative Intensity
66.73870	0.6
71.01382	29.2
72.99309	0.7
73.02952	8.1
75.41956	0.6
82.69331	0.6
83.01382	2.5
85.02950	11.3
86.76979	0.6
87.00870	1.6
89.02439	32.5
93.78584	0.7
95.01361	3.0
99.00882	1.2
99.13425	0.6
101.02441	27.9
113.02442	23.1
117.30556	0.7
119.03490	12.6
143.03444	1.5
145.12422	0.6
155.28813	0.7
161.04547	3.7
179.05576	1.1
221.06647	1.0
298.04910	1.1
299.05533	3.2
333.06247	0.6
405.95828	0.7
413.30856	0.7
487.35049	0.9
489.35822	3.7
607.14288	3.3
795.30927	1.5
795.45496	39.0
813.46606	21.9
855.47644	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4753
Annotation	Cyanolide A
Peak:m/z	Relative Intensity
66.50477	0.3
71.01379	17.1
72.99303	0.4
73.02946	6.0
83.01398	4.0
83.65119	0.3
85.02946	9.8
87.00862	0.5
87.04521	0.8
87.83027	0.3
89.02444	5.4
95.01362	2.1
96.85743	0.3
97.02915	1.3
99.00889	3.1
101.01773	0.6
101.02441	16.8
111.00894	0.4
113.02444	11.6
119.03454	1.8
125.02449	1.8
126.25836	0.4
129.01930	0.4
143.03488	1.6
159.03001	1.5
161.04515	3.9
178.87279	0.4
199.72021	0.3
221.06711	0.6
751.46350	0.5
795.44952	1.3
811.48157	2.1
813.45807	3.6
855.47583	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4947
Annotation	Unknow
Peak:m/z	Relative Intensity
59.49117	0.4
63.96198	0.5
71.01382	3.6
73.02937	1.8
78.98584	2.9
79.95734	9.3
80.96512	33.9
81.03436	0.5
81.95750	0.5
82.96085	1.0
85.02934	1.7
87.00881	0.9
94.98079	10.0
96.95985	0.7
97.02947	0.7
101.02433	2.7
106.98067	2.1
122.97557	2.0
125.02449	4.0
127.03973	0.4
134.97586	3.1
136.99123	1.8
148.99141	5.8
152.98607	7.0
164.98624	14.0
206.99728	3.9
225.00742	29.7
227.00391	0.9
234.49825	0.5
241.00290	0.7
279.23288	0.6
280.84369	0.5
283.02277	0.6
283.04984	2.2
298.05060	0.8
334.19266	0.5
341.05237	0.6
355.06918	1.0
367.77899	0.5
411.13504	0.5
561.27240	2.3
575.25574	1.6
633.29572	1.0
647.31036	0.9
717.39484	0.9
757.42212	0.7
855.49225	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01375	16.1
73.02933	4.4
85.02928	3.6
85.32076	0.8
87.00864	1.1
89.02435	14.9
95.01362	1.0
99.04512	30.4
101.02442	15.7
113.02441	17.3
119.03477	9.1
119.04990	1.8
120.69790	0.7
125.02454	11.0
143.03479	3.3
152.08401	4.0
161.04535	5.7
163.04031	5.9
179.05612	6.1
225.14951	5.2
351.96909	0.9
356.95392	1.0
369.19016	7.2
387.20230	33.5
429.21292	13.2
468.34512	0.8
487.25403	3.4
498.19086	1.0
529.23242	3.7
530.23102	1.7
531.24500	100.0
566.38544	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.493
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	0.9
71.01377	14.6
72.99293	0.8
73.02944	5.4
76.37935	0.7
83.01390	1.0
85.02932	7.9
85.82359	0.8
87.00861	2.0
87.04546	1.0
89.02434	12.1
101.02433	16.2
103.04011	7.5
113.02444	8.5
115.03992	9.2
119.03506	5.3
131.03496	7.9
143.03513	11.5
145.02914	1.4
145.05067	1.9
161.04453	1.0
163.06168	8.4
205.07164	9.6
247.08217	0.9
271.06061	1.1
283.02533	4.6
284.03040	3.3
285.03244	2.0
298.04999	5.9
299.05432	8.9
300.05695	4.7
301.06180	1.5
378.02206	0.8
413.30896	1.4
489.36017	4.3
608.15137	1.9
609.15332	5.2
709.80579	1.0
797.46985	100.0
813.21362	4.3
821.94727	1.0
857.47162	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	20.9
73.02947	22.1
77.85464	4.5
80.53603	4.0
85.02923	3.8
89.02428	5.8
99.04507	50.7
99.27961	4.1
101.02431	29.1
113.02461	9.4
118.29726	4.0
119.03434	4.4
125.02447	30.6
419.46667	4.7
449.30527	15.6
611.36725	6.3
653.36865	10.0
671.37836	47.0
713.39185	18.1
771.44269	8.2
775.00867	4.5
815.42505	100.0
859.41455	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	859.4188
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01368	5.8
72.99304	0.8
73.02937	1.5
85.02937	3.3
85.50472	0.8
89.02435	3.8
98.05983	0.8
99.04515	50.5
101.02435	14.6
113.02447	6.8
119.03495	1.7
119.05026	3.7
125.02435	23.6
143.03520	1.6
144.34209	0.9
161.04524	5.2
163.04070	7.4
227.12881	9.1
307.17709	5.0
349.18707	14.8
389.21750	1.7
407.19092	17.9
411.45145	0.9
423.18954	1.3
451.21909	100.0
697.21515	1.2
719.37836	1.0
859.27582	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	859.4702
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	20.4
73.02939	11.6
75.00893	1.2
83.01383	3.3
85.02945	9.6
87.00884	0.8
89.02448	5.6
92.22482	0.8
95.01396	0.7
99.00887	3.2
101.02436	20.4
113.02441	9.4
119.03513	1.3
131.03488	0.8
161.04549	3.1
201.68672	0.9
239.40343	0.7
239.58781	1.0
439.32242	3.1
457.33267	1.7
505.35522	7.8
637.39807	1.4
799.44995	100.0
859.49066	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4702
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	20.4
73.02939	11.6
75.00893	1.2
83.01383	3.3
85.02945	9.6
87.00884	0.8
89.02448	5.6
92.22482	0.8
95.01396	0.7
99.00887	3.2
101.02436	20.4
113.02441	9.4
119.03513	1.3
131.03488	0.8
161.04549	3.1
201.68672	0.9
239.40343	0.7
239.58781	1.0
439.32242	3.1
457.33267	1.7
505.35522	7.8
637.39807	1.4
799.44995	100.0
859.49066	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.5217
Annotation	Unknow
Peak:m/z	Relative Intensity
66.05035	0.6
66.43625	0.7
71.01376	7.2
73.02942	0.9
85.02940	1.1
89.02428	7.2
92.22438	0.9
97.24349	0.8
97.71098	0.7
101.02431	4.8
102.33741	0.8
111.08123	1.8
113.02409	3.7
119.03488	1.5
121.93048	0.7
165.12808	18.7
173.50916	0.7
183.13901	84.1
197.15460	20.2
209.11780	2.8
225.14868	0.7
227.12918	7.7
439.32391	1.1
466.00943	0.8
566.52667	0.7
859.52136	100.0
866.66058	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.5223
Annotation	Unknow
Peak:m/z	Relative Intensity
64.59794	1.8
68.09962	1.9
69.79521	1.7
71.01379	4.4
71.81279	1.9
73.86812	1.6
74.56802	1.9
89.02441	2.8
111.08157	4.5
113.02408	1.9
149.42378	2.2
165.12843	47.1
181.12303	2.4
183.13914	29.7
186.43918	2.1
197.15570	4.4
209.11867	4.1
217.89508	2.0
225.28452	2.6
228.25299	2.3
231.50497	1.9
272.01431	2.5
317.28864	2.0
331.60251	1.8
450.10797	1.9
673.64807	2.1
859.52380	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
67.53171	0.5
74.79237	0.6
84.93873	0.9
96.96011	6.1
98.95570	1.3
99.92579	11.1
100.93358	19.5
104.91023	0.5
107.94468	0.5
114.93350	0.7
115.92065	34.8
115.99117	0.6
116.92850	100.0
128.92844	1.1
133.51178	0.6
140.92876	0.6
141.93622	0.7
142.94411	2.3
156.92342	0.6
158.93909	0.9
167.95163	0.7
171.94676	0.7
242.96078	1.3
351.54971	0.6
381.08707	0.7
397.24280	0.9
437.43839	0.6
466.00952	0.7
615.24701	0.7
653.28986	0.7
739.31165	5.1
757.33350	1.2
781.32611	0.7
817.34430	4.0
825.31628	1.0
861.33752	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	861.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
130.69006	0.7
217.98221	0.8
252.10983	1.0
270.67645	0.8
861.44220	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
63.42395	0.5
113.70741	0.5
132.64014	0.5
268.73145	0.5
357.18665	0.5
441.44611	0.8
751.53204	0.6
861.44189	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.486
Annotation	Unknow
Peak:m/z	Relative Intensity
70.85193	0.7
71.01380	19.4
73.02940	4.5
74.51801	0.8
77.04277	0.8
83.01403	1.6
85.02943	12.3
87.04504	8.6
99.00876	3.5
101.02442	12.8
101.06055	1.1
113.02448	7.0
113.98160	0.7
115.07645	1.0
119.03474	1.9
125.06068	1.1
131.03479	3.6
135.83247	0.8
157.08617	0.9
159.10257	16.9
161.04497	1.4
168.99594	0.9
225.56801	0.9
268.00247	0.8
371.25818	3.5
389.26837	7.3
489.35928	4.7
507.37003	11.3
552.93878	0.9
639.41266	13.5
657.83142	0.8
801.46570	100.0
839.79401	1.0
861.40015	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	861.5379
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	6.0
73.02940	2.7
83.01379	0.4
85.02941	4.5
89.02404	1.6
92.23055	0.5
97.06590	0.5
99.00863	0.9
101.02433	6.8
111.08114	0.6
113.02454	4.0
113.21387	0.5
113.91927	0.4
117.77602	0.5
136.17664	0.5
161.04489	0.5
165.12868	5.7
183.13899	76.4
197.15482	2.7
227.12921	4.2
401.30402	0.6
413.30615	6.6
487.34497	2.6
489.35931	6.3
573.75494	0.6
861.53778	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.5378
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	9.5
78.56538	0.5
82.50266	0.6
83.01342	0.8
85.02944	1.3
89.02438	7.4
92.23086	0.8
96.95991	1.1
101.02440	5.9
113.02424	6.4
119.03488	3.8
165.12836	11.5
183.13901	77.1
184.23363	0.8
197.15486	17.1
209.11757	2.4
227.12885	3.9
251.75540	0.8
341.69360	0.6
442.11887	0.7
471.35156	1.2
489.35873	0.9
510.51343	0.8
861.53845	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.537
Annotation	Unknow
Peak:m/z	Relative Intensity
61.48658	0.4
61.81829	0.4
64.63953	0.4
71.01366	6.2
73.02951	0.5
85.02956	1.0
89.02447	6.1
91.22466	0.5
101.02442	6.1
103.10587	0.4
111.08149	0.9
113.02438	4.1
119.03474	3.0
120.21025	0.4
163.42511	0.5
165.12840	18.7
179.05785	0.5
183.13905	63.1
197.15492	17.4
207.13841	0.6
209.11862	3.6
225.14958	1.0
227.12953	4.5
299.05487	0.6
329.23328	0.8
495.21951	0.4
631.91772	0.5
740.21863	0.5
860.02216	0.5
861.53772	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
63.42723	0.4
64.56065	0.4
84.93880	0.9
96.96007	5.6
98.95589	1.2
99.92582	12.4
100.93355	14.2
115.92067	37.8
116.92850	100.0
120.30924	0.5
141.93637	0.7
142.94424	3.4
148.58850	0.6
158.93942	0.6
160.82713	0.5
196.95404	0.6
242.96077	0.7
259.96194	0.9
303.17703	0.8
540.18195	0.6
723.33276	0.7
741.33038	6.6
783.34601	0.7
819.35944	3.0
863.35291	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	863.3926
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	6.2
73.02934	2.6
80.44218	0.4
80.83447	0.4
83.01383	0.9
85.02930	0.8
87.00864	0.4
89.02431	10.3
95.01373	0.7
98.92938	0.4
99.04509	61.1
101.02439	14.0
113.02438	6.3
115.55935	0.4
119.03510	4.8
125.02431	26.9
131.03487	0.7
143.03452	3.3
149.04538	0.5
150.78841	0.4
161.04553	2.2
179.05649	2.3
221.06696	1.7
261.13574	0.5
303.14508	13.3
343.17624	3.0
361.18790	0.8
405.17685	100.0
406.18103	0.6
413.21780	1.9
479.43906	0.4
587.90076	0.5
818.49768	0.5
863.28082	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5013
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	8.7
73.02929	1.1
85.02966	0.8
87.00896	0.8
89.02434	10.1
95.01397	0.6
97.02952	0.9
101.02443	8.1
113.02440	2.6
115.91826	0.5
118.40576	0.5
119.03482	2.5
125.02381	2.2
143.03458	1.0
153.43352	0.5
161.04564	0.8
165.12878	5.4
165.82635	0.6
176.37550	0.5
183.13902	32.9
194.74564	0.5
221.06662	1.2
227.12885	2.2
235.08176	1.0
255.23305	50.1
261.81631	0.5
268.34784	0.5
308.47220	0.5
397.12900	0.7
426.86926	0.5
481.07660	0.5
511.45483	0.6
529.37103	0.6
647.75580	0.6
863.50153	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5021
Annotation	Unknow
Peak:m/z	Relative Intensity
63.56963	0.9
71.01368	5.7
71.33566	0.9
86.94248	0.9
87.00857	1.1
89.02448	11.5
89.70287	1.1
97.02930	1.4
101.02411	10.0
113.02409	1.9
119.03465	1.2
161.04599	1.8
165.12779	4.4
179.05717	1.2
183.13905	44.5
221.06638	2.0
227.12860	2.5
235.08208	1.1
255.20789	2.1
255.23296	35.6
361.33453	1.3
389.54230	1.1
474.92017	1.2
568.03979	1.4
627.81531	1.3
659.35681	1.2
863.50092	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5529
Annotation	Unknow
Peak:m/z	Relative Intensity
73.08649	0.4
82.58539	0.5
135.43079	0.5
165.12839	18.7
183.13904	100.0
197.48123	0.5
209.11752	0.5
218.83846	0.5
220.13739	0.4
227.12898	80.3
259.59695	0.4
265.09979	0.5
348.17325	0.5
435.22247	0.5
484.79095	0.5
610.50232	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5529
Annotation	Unknow
Peak:m/z	Relative Intensity
73.08649	0.4
82.58539	0.5
135.43079	0.5
165.12839	18.7
183.13904	100.0
197.48123	0.5
209.11752	0.5
218.83846	0.5
220.13739	0.4
227.12898	80.3
259.59695	0.4
265.09979	0.5
348.17325	0.5
435.22247	0.5
484.79095	0.5
610.50232	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5534
Annotation	Unknow
Peak:m/z	Relative Intensity
62.64832	0.3
69.51939	0.4
71.01385	9.9
73.02927	4.2
73.91760	0.3
77.08064	0.3
83.01398	0.7
85.02950	5.2
87.04491	0.8
89.02465	0.4
89.84595	0.3
99.00881	1.4
101.02436	9.2
111.08148	0.7
113.02447	5.2
161.04573	0.8
165.12839	7.0
183.13908	85.1
209.11818	0.5
227.12920	1.9
297.86230	0.4
370.03644	0.4
397.30978	0.5
415.32071	3.4
475.34259	1.5
489.36002	3.1
491.37595	6.1
684.06506	0.4
863.55377	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	865.372
Annotation	Unknow
Peak:m/z	Relative Intensity
63.63578	0.4
71.01376	4.2
71.59708	0.4
73.02946	2.3
74.62915	0.5
85.02933	2.3
99.00860	0.9
99.04511	63.2
101.02435	12.1
113.02406	3.4
125.02437	27.5
143.03508	3.1
159.02989	0.7
159.36928	0.5
161.04582	5.6
307.17700	6.0
311.11569	0.7
349.18683	16.6
389.21704	2.1
389.96445	0.5
407.22928	2.5
413.14548	7.1
451.21902	100.0
678.93347	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	3.8
73.02936	2.0
85.02943	1.7
89.02390	0.7
99.04511	59.3
101.02427	14.3
113.02431	3.8
118.33129	0.5
125.02430	27.6
131.50121	0.4
143.03510	3.2
159.02953	0.6
161.04550	5.1
261.19836	0.4
269.10370	0.8
273.73862	0.5
300.24585	0.4
307.17642	6.4
333.57010	0.5
349.18658	13.9
389.21765	1.7
407.22763	1.8
410.99445	0.5
413.14526	7.4
423.77011	0.5
432.25665	0.5
451.21896	100.0
588.38684	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	76.4
72.99294	2.1
73.02942	48.5
79.68130	2.2
83.01389	11.3
85.02950	24.0
87.00867	4.1
89.02441	30.4
95.01338	3.5
97.02956	5.4
99.00872	3.1
101.02428	53.0
110.11482	2.4
113.02444	58.8
119.03498	15.4
125.02434	8.8
131.03435	4.0
143.03493	17.5
147.67067	2.5
161.04562	19.6
179.05544	3.8
195.34453	2.5
203.05656	11.2
249.83582	2.5
542.82050	2.7
636.16309	3.0
657.39844	5.0
675.41168	47.6
677.42761	17.0
693.41919	9.1
717.29987	3.6
717.42084	80.9
735.43188	100.0
739.57916	3.0
748.91998	2.9
761.44702	10.2
777.44366	80.7
821.47040	22.3
865.47943	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	865.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
62.87510	2.0
71.01375	62.8
73.02940	40.9
75.00874	2.6
83.01392	11.2
85.02953	25.9
87.00904	2.2
89.02425	22.6
89.89406	2.1
95.01370	7.7
97.02962	4.3
98.10361	1.9
99.00855	3.6
101.02436	47.5
108.24548	2.0
113.02440	59.4
119.03455	11.4
125.02419	11.8
131.03448	8.1
131.88269	1.9
143.03471	14.8
144.82770	2.0
161.04475	16.4
176.05075	2.1
179.05681	2.2
180.72525	2.0
203.05669	16.1
221.06589	2.2
250.75455	1.9
328.43143	2.0
347.82556	2.0
447.13528	3.3
653.65881	2.2
657.39948	8.0
675.41278	49.8
677.42798	94.5
693.42029	12.4
717.42279	89.3
735.43396	100.0
761.45642	2.5
777.44269	59.3
821.46564	9.4
865.45557	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	865.4597
Annotation	Unknow
Peak:m/z	Relative Intensity
61.11437	1.9
71.01385	18.0
73.02941	8.7
77.96371	1.9
83.01404	3.3
85.02949	12.7
86.60945	1.9
88.98406	1.8
89.02466	3.2
93.03455	3.7
99.00882	4.0
101.02432	17.7
102.29288	1.8
111.00863	1.9
111.04494	4.3
113.02419	12.6
125.02396	2.1
155.02278	2.2
155.25433	2.0
159.02966	2.2
161.04684	2.0
171.21344	1.8
173.04524	7.8
196.77681	1.8
197.28807	1.9
407.99759	2.2
761.44531	29.5
779.46539	13.5
821.47046	100.0
821.62579	3.3
865.46368	7.6
876.78821	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	865.4601
Annotation	Kabiramide K
Peak:m/z	Relative Intensity
71.01373	21.3
72.52724	0.7
73.02940	8.4
78.04230	1.0
83.01382	4.1
84.56931	0.8
85.02948	13.0
89.02437	3.7
94.29783	0.9
95.01360	1.7
97.02950	1.3
99.00896	1.9
101.01790	1.0
101.02437	22.6
113.02435	15.1
119.03465	1.0
125.14521	1.0
152.99364	0.8
161.04604	1.7
231.60727	1.0
455.35303	5.3
513.72491	1.0
570.11945	1.0
617.40784	3.5
676.53357	1.1
694.23114	1.0
761.44879	46.9
779.45850	17.0
821.46991	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	865.4596
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	21.2
73.02937	7.1
77.90538	0.6
79.22684	0.6
80.36429	0.7
83.01371	2.4
85.02946	8.4
87.76153	0.7
89.02434	20.5
91.41976	0.7
91.42941	0.6
95.01373	3.5
99.00880	0.8
101.02441	18.3
113.02435	13.7
119.03487	5.5
143.03419	0.9
161.04512	1.3
176.34779	0.8
225.06563	0.8
234.03914	0.7
246.67941	0.7
328.98856	0.7
677.42267	1.4
683.28204	0.7
761.44958	24.8
779.45947	15.2
821.46991	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	865.4599
Annotation	Unknow
Peak:m/z	Relative Intensity
63.76443	1.0
65.48788	1.0
71.01373	24.7
72.99303	1.2
73.02939	2.7
77.15661	1.1
78.54408	1.1
83.01344	1.5
85.02954	8.2
89.02428	19.9
92.22549	1.6
94.98088	12.3
95.01375	2.8
101.02444	16.9
113.02441	18.6
119.03487	7.5
125.02392	1.5
130.76501	1.0
172.92595	1.2
183.13829	1.3
298.04977	2.4
299.05573	4.2
322.02246	1.2
573.43347	1.3
761.44855	31.3
774.50793	1.4
779.46301	18.4
821.47009	100.0
865.40045	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	865.4598
Annotation	Unknow
Peak:m/z	Relative Intensity
60.51409	1.0
70.25319	1.2
71.01370	27.0
71.21653	1.1
73.02941	5.3
85.02940	5.6
89.02435	26.7
95.01324	1.2
101.02447	19.1
113.02439	17.0
116.92857	2.2
118.08546	1.0
119.03513	8.7
124.10204	1.3
145.91832	1.3
160.51288	1.2
191.16776	1.3
220.89819	1.5
233.36359	1.2
264.01770	1.6
312.55475	1.5
315.58963	1.2
346.53046	1.4
354.96851	1.2
376.33582	1.5
498.23126	1.4
610.24371	1.3
761.44708	16.1
779.45776	8.9
821.46979	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4968
Annotation	Unknow
Peak:m/z	Relative Intensity
60.73939	3.5
63.19596	3.3
70.65280	3.0
71.01379	52.0
71.54586	3.1
73.02949	23.4
83.01374	5.4
85.02937	27.3
85.17224	3.2
89.02446	36.7
91.46766	3.4
92.22540	3.3
95.01386	8.1
97.02950	4.7
101.02423	39.4
113.02429	54.8
119.03486	4.4
125.02416	21.5
141.15070	4.9
161.04504	6.1
162.01051	3.9
269.29572	3.7
276.44693	3.3
611.43066	4.1
677.42542	22.1
745.45459	23.3
749.62067	4.3
761.44727	23.2
763.46057	26.6
803.47601	4.8
805.47522	97.2
821.46777	56.2
823.48621	46.7
865.49628	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4997
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	2.7
73.02899	0.4
73.92599	0.3
74.86373	0.4
78.98598	3.2
79.94284	0.3
79.95730	5.7
80.96513	27.7
85.02930	0.9
87.00861	1.7
94.98082	8.4
97.02937	0.8
101.02442	1.8
106.98070	1.4
122.97573	2.1
125.02422	2.6
127.03985	0.5
134.97581	3.7
136.99104	1.8
148.99129	6.0
152.98621	6.8
161.99632	0.4
164.98621	14.4
164.99939	0.7
171.10286	0.5
179.00146	0.5
206.99625	3.9
225.00754	38.5
254.27356	0.4
255.23260	2.2
264.94678	0.4
280.63440	0.4
283.05008	0.7
341.05353	0.5
465.17197	0.4
537.27460	3.6
609.26001	4.4
865.49933	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.534
Annotation	Unknow
Peak:m/z	Relative Intensity
60.22332	1.0
65.53331	0.9
68.03441	0.9
71.01386	2.1
71.05004	1.7
76.20261	1.0
80.96520	1.6
85.02946	1.8
89.41184	1.1
101.02444	4.5
113.02451	1.2
117.23100	1.1
122.35835	1.0
131.84105	0.9
137.09712	2.6
142.97112	1.1
168.39177	1.0
171.10223	8.7
185.11861	1.9
185.94356	1.4
211.13438	5.1
235.08357	8.1
241.01477	1.2
251.16553	4.0
253.09354	8.4
253.22079	1.2
277.21750	100.0
291.19708	19.8
309.20728	23.7
311.22241	1.5
462.10208	1.2
474.27319	1.1
513.31104	7.5
527.28613	4.1
545.30072	3.7
550.29413	1.2
717.06421	1.4
787.49774	5.2
865.49939	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	865.5323
Annotation	Unknow
Peak:m/z	Relative Intensity
60.82616	2.0
61.13871	2.1
79.02225	2.4
81.29720	2.2
96.40417	2.8
101.02454	2.8
137.89093	2.5
170.66928	2.7
235.08293	3.4
246.43565	2.5
253.09361	3.7
277.21735	100.0
291.19702	15.9
309.20776	38.6
347.03662	2.9
513.30450	11.6
527.28040	3.5
805.51654	4.1
865.51294	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	867.3875
Annotation	Unknow
Peak:m/z	Relative Intensity
63.54069	0.3
71.01377	10.8
71.83592	0.3
73.02937	9.0
83.01369	2.1
85.02938	2.8
87.00861	0.3
89.02430	7.0
92.23042	0.4
95.01366	0.6
99.00869	0.7
99.04509	2.1
101.02438	13.0
102.37302	0.3
113.02430	7.1
119.03492	2.1
123.08148	9.0
125.02438	1.2
131.03447	0.7
137.09692	2.6
143.03470	1.3
148.82635	0.4
149.04556	1.3
159.03026	0.6
161.04558	6.3
163.11285	8.5
179.05595	0.8
189.12868	20.1
203.05600	1.9
207.13914	25.9
221.06685	1.4
225.14961	5.4
249.13467	0.4
261.13531	0.3
303.96805	0.4
304.39142	0.3
336.80457	0.3
349.18594	1.8
376.51059	0.4
387.20306	5.9
393.17578	7.5
429.21332	100.0
447.22324	1.8
473.20395	4.9
504.64850	0.4
520.77960	0.3
733.25592	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	9.5
72.83018	0.5
73.02942	7.4
83.01387	2.4
85.02940	2.6
89.02433	5.4
95.01363	0.5
99.00861	0.9
99.04523	0.6
101.02438	10.5
113.02439	6.1
119.03515	2.4
123.08163	7.9
125.51629	0.4
131.03473	1.0
137.09706	2.8
139.80322	0.5
149.04527	0.9
159.03061	0.5
161.04562	5.6
163.11261	7.6
189.12859	17.1
194.25438	0.5
203.05605	1.0
207.13914	21.8
221.06656	1.9
225.14941	5.3
249.13663	0.4
250.90041	0.5
261.13400	0.5
345.15915	0.5
348.54691	0.5
349.18631	0.9
387.20343	5.4
393.17624	6.5
429.21341	100.0
439.91763	0.5
447.22333	0.8
473.20496	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	867.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99306	9.9
71.01377	9.9
73.02947	6.9
85.02926	2.0
88.98798	100.0
89.02436	7.8
95.01378	1.7
98.32396	1.2
99.25888	1.3
101.02419	8.6
103.41731	1.3
104.16026	1.4
113.02394	10.6
138.14513	1.5
153.95424	1.4
161.04570	6.2
239.06206	1.6
317.10556	1.6
560.20978	2.2
638.07739	1.5
640.57690	1.8
673.39966	13.1
691.40454	7.7
733.41736	51.5
823.47827	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	867.4395
Annotation	Unknow
Peak:m/z	Relative Intensity
61.08087	0.6
71.01382	26.5
71.01778	0.9
73.02946	18.6
83.01384	3.5
84.37559	0.7
84.92726	0.6
85.02947	8.9
87.00847	1.1
89.02438	19.8
91.52809	0.7
95.01375	2.7
95.43879	0.7
96.95995	0.7
100.07179	0.7
101.02440	18.6
113.02450	20.6
119.03483	5.6
131.03517	1.1
132.91832	0.7
143.03494	0.8
161.04570	4.2
179.05585	3.1
190.64948	0.7
214.87112	0.8
215.01259	0.7
221.06631	0.9
287.32019	0.8
315.60947	0.8
350.91022	0.9
646.85071	0.8
763.42920	31.2
781.43866	11.1
823.45062	100.0
867.43140	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	867.439
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	33.3
72.99306	1.2
73.02944	19.3
83.01393	5.2
85.02947	12.0
87.00898	1.2
89.02440	27.3
92.22502	0.9
94.75194	0.8
95.01376	5.4
96.96021	1.2
99.00891	0.9
101.02444	24.3
113.01656	1.1
113.02452	30.3
119.03476	9.2
125.02383	1.0
131.03468	1.4
143.03526	0.9
149.04539	1.2
160.45100	0.8
161.04535	5.0
179.05597	4.1
314.23184	0.9
353.35260	0.8
439.31967	1.8
691.36499	1.0
763.42719	45.9
781.45520	10.2
823.44995	100.0
867.36212	3.8
891.43140	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4745
Annotation	Unknow
Peak:m/z	Relative Intensity
66.20225	0.5
68.75945	0.6
71.01376	27.2
72.99296	1.2
73.02940	6.2
81.69828	0.6
83.01385	4.3
85.02944	8.8
87.00825	0.8
89.02438	21.4
90.43188	0.6
94.02135	0.6
95.01368	2.5
99.00869	2.7
101.02438	17.3
113.02455	12.4
119.03478	7.9
131.03436	0.7
143.03433	1.0
161.04590	5.3
179.05647	5.2
199.55174	0.7
229.23776	0.6
629.43073	0.7
728.89069	0.7
747.43604	1.2
765.44110	4.5
807.45361	25.5
825.46466	25.5
851.44781	0.9
867.47559	100.0
894.99396	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4754
Annotation	Desglucomusennin
Peak:m/z	Relative Intensity
61.60599	0.8
71.01376	24.6
71.78021	1.0
73.02946	7.0
83.01392	3.9
85.02941	9.2
89.02447	17.4
95.01367	3.9
95.28599	0.8
95.64632	0.9
99.00874	1.9
101.02447	21.2
107.81213	0.8
110.45808	0.9
111.84828	0.9
113.02444	20.7
114.58167	0.9
119.03469	4.9
125.02418	1.4
143.03496	1.3
161.04482	3.5
204.08565	1.0
250.95526	1.0
253.22086	1.0
275.79364	1.1
579.53333	1.0
601.30786	1.2
733.42413	1.2
763.46588	29.2
771.93884	1.3
781.47186	15.7
823.48511	100.0
867.46893	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	867.475
Annotation	Unknow
Peak:m/z	Relative Intensity
69.60699	1.8
71.01379	29.0
75.40276	1.8
85.02940	5.0
87.88258	2.0
88.36279	2.1
89.02419	19.7
93.74839	2.0
94.94902	2.2
95.84247	2.2
101.02430	16.8
107.63906	2.0
109.30090	2.4
111.04626	2.2
113.02454	18.5
119.03463	4.7
139.86240	1.9
157.05287	2.2
163.84261	2.3
180.07013	2.3
185.79863	2.0
239.73157	2.2
340.41519	2.2
394.79425	2.9
395.06949	2.2
763.46362	29.5
781.46857	14.4
809.90558	2.6
823.48529	100.0
867.49017	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	867.4755
Annotation	Unknow
Peak:m/z	Relative Intensity
62.13165	0.8
65.79774	1.0
68.53392	1.0
71.01376	17.8
73.02937	6.5
83.01389	1.9
85.02940	8.8
87.00854	4.1
89.02429	5.1
95.01381	4.1
97.02948	1.4
99.00859	2.4
101.02438	17.9
101.08314	0.9
109.14358	1.0
113.02444	13.8
119.03456	1.8
124.01656	1.1
125.02419	2.5
137.77013	1.1
157.22455	1.1
159.03001	1.9
161.04536	4.1
165.03407	1.0
169.59373	1.0
261.79538	1.1
283.02481	4.9
298.04782	7.5
509.83392	1.2
763.46375	22.0
781.47278	13.6
823.48590	100.0
863.70471	1.3
867.45886	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	867.4757
Annotation	Desglucomusennin
Peak:m/z	Relative Intensity
60.86052	0.8
71.01376	23.6
72.52026	0.8
73.02937	3.6
81.61785	0.9
83.01377	1.0
84.34634	0.8
85.02946	10.1
86.17118	0.9
87.00876	1.7
89.02435	28.0
95.01366	1.9
101.02446	14.4
113.02445	14.5
116.70821	0.9
119.03475	9.2
121.66843	0.9
126.46566	1.0
130.08760	1.0
151.05038	0.8
152.32048	1.0
161.04469	1.3
182.95306	0.9
224.58226	0.9
276.58240	1.0
283.02469	1.3
322.02951	0.9
350.23657	1.0
763.46527	24.3
781.47357	14.3
823.48499	100.0
867.42651	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	867.4765
Annotation	Unknow
Peak:m/z	Relative Intensity
63.36359	0.9
63.58535	0.8
71.01376	15.8
72.99300	1.5
73.02955	6.7
74.82807	0.8
75.66988	0.9
79.28419	0.8
85.02950	12.2
87.63148	0.9
89.02428	15.8
95.01384	1.1
96.96006	1.3
98.55099	0.9
101.02443	14.5
103.03995	6.7
113.02444	7.4
119.03497	4.3
162.09798	1.1
190.48476	0.9
254.94501	0.9
265.88849	0.9
269.52701	0.9
272.34409	0.9
278.44138	1.0
283.69601	1.0
325.80899	1.1
413.52963	1.2
763.46509	27.2
781.47296	15.4
785.99237	1.2
807.45770	1.9
823.48590	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	867.4754
Annotation	Unknow
Peak:m/z	Relative Intensity
63.30333	1.2
65.69027	1.3
71.01371	25.0
73.02936	13.5
74.51221	1.3
78.35617	1.4
85.02946	8.5
87.00886	1.4
89.02439	21.8
101.02445	22.1
113.02442	25.1
119.03505	5.8
143.07074	1.5
152.76584	1.4
164.04762	2.9
190.02666	5.8
193.05046	2.9
194.02150	1.3
205.05040	24.3
223.06114	2.1
340.30057	1.5
353.05118	1.6
469.17178	39.4
596.62329	1.6
667.37512	1.9
763.46387	29.3
781.46332	10.8
807.45538	7.9
823.48450	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.4707
Annotation	Unknow
Peak:m/z	Relative Intensity
60.93833	1.2
61.30864	1.2
62.21146	1.4
66.45958	1.4
68.28027	1.3
103.80836	1.4
129.46208	1.5
228.45741	1.6
296.71405	1.6
315.64178	1.6
825.46179	6.8
868.47046	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.471
Annotation	Unknow
Peak:m/z	Relative Intensity
61.54943	1.0
62.97993	0.9
85.65561	0.9
95.51578	0.8
504.80634	1.0
533.88226	1.1
533.96155	1.0
748.20532	1.0
825.46643	9.3
868.47144	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99306	7.4
66.34715	2.9
71.01389	19.0
73.02937	6.8
85.02922	4.1
87.80981	3.6
88.98795	98.5
89.02429	16.4
96.04589	3.4
101.02445	16.1
109.33989	3.5
113.02443	21.8
116.68526	4.1
129.04697	3.6
137.27948	3.2
153.66794	3.8
250.83797	3.6
268.21536	3.7
426.43591	3.9
675.41217	38.9
693.42291	15.4
735.43390	100.0
825.48059	6.0
874.63336	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	869.4548
Annotation	Unknow
Peak:m/z	Relative Intensity
70.40097	0.4
71.01013	0.7
71.01379	17.0
71.01768	0.6
72.99293	0.6
73.02931	4.2
79.72090	0.4
83.01379	2.3
85.02940	6.6
87.46307	0.4
89.02435	18.4
93.13511	0.4
95.01384	1.0
99.00869	0.9
101.02440	19.3
105.68383	0.4
109.38862	0.4
113.02445	12.3
119.03481	8.5
131.03462	0.6
134.03700	0.9
134.08104	0.4
143.03484	0.7
161.04552	2.1
179.05624	0.6
193.04982	0.7
224.40475	0.5
311.20172	2.4
337.21667	1.8
419.29446	2.5
437.30569	3.8
472.24475	0.5
473.25449	8.6
581.35077	0.9
599.35797	2.2
761.40881	3.9
762.13647	0.6
765.44116	0.7
779.42603	2.0
809.43353	100.0
825.46277	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	869.4533
Annotation	Unknow
Peak:m/z	Relative Intensity
69.02103	0.9
71.01376	33.5
71.73877	0.9
73.02941	14.3
81.03448	1.2
83.01389	9.2
85.02941	21.7
87.00864	2.2
89.02432	9.5
95.01373	5.6
97.02952	4.3
99.00851	7.9
101.02435	32.9
111.00893	3.9
113.02435	26.1
114.03235	1.3
119.03458	1.2
125.02430	6.6
131.03540	1.1
142.24361	0.9
143.03496	3.8
143.08667	0.9
143.69771	1.0
159.02939	1.2
161.04518	6.1
167.45467	0.8
274.86597	1.0
381.27716	1.0
397.27554	1.5
401.30789	1.2
415.28702	1.4
432.01666	0.9
489.35910	5.0
574.60785	1.1
579.05896	1.0
765.44360	36.9
767.45905	2.0
783.45477	100.0
784.45160	1.6
809.47064	6.5
825.46570	57.0
826.46808	1.7
827.47589	1.2
839.25403	1.2
869.48358	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	869.455
Annotation	Unknow
Peak:m/z	Relative Intensity
66.87763	0.4
70.71523	0.4
71.01379	18.7
71.01782	0.6
73.02943	6.4
83.01382	2.2
85.02950	9.2
87.00852	1.0
87.04521	2.3
89.02438	9.1
95.01382	2.4
99.00871	2.6
101.02438	13.8
113.02445	15.0
119.03476	4.3
130.82880	0.4
131.03522	1.0
147.66061	0.4
161.04561	3.3
179.05566	0.5
210.83543	0.5
221.06610	0.5
327.21710	3.5
397.27728	0.7
401.30759	0.8
415.28650	0.9
470.48880	0.4
489.36081	2.1
535.74274	0.4
765.44446	30.3
783.45361	16.8
825.46521	100.0
869.46948	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	20.5
71.44243	1.2
71.62666	1.3
73.02929	5.5
74.12340	1.1
81.33559	1.1
83.01382	2.0
85.02940	7.6
87.04517	1.3
89.02438	12.5
92.22424	2.6
95.01359	1.7
101.02423	13.4
113.02451	11.0
119.03501	2.7
161.04500	2.4
176.93845	1.3
201.08893	1.6
271.08255	1.3
308.32492	1.6
317.32373	1.3
501.39166	1.4
509.83969	1.4
765.44116	13.9
767.44727	2.0
783.45398	8.6
809.46204	2.8
825.46570	100.0
859.40851	1.4
869.47931	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	869.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
64.22740	0.4
71.01374	27.9
72.52446	0.4
72.59360	0.3
72.99287	0.7
73.02934	11.5
83.01376	3.0
85.02478	0.7
85.02948	12.0
87.00860	1.0
89.02435	20.6
95.01376	4.1
97.02919	0.7
99.00880	1.0
101.02442	18.8
104.20786	0.5
113.01655	1.1
113.02441	28.5
113.36678	0.4
119.03477	6.5
122.41626	0.5
124.01677	0.6
125.02440	1.8
131.03476	1.0
134.03741	0.5
137.14827	0.4
161.04515	1.0
193.04945	0.7
300.09207	0.5
684.50354	0.6
765.44434	34.4
783.45428	12.5
825.46509	100.0
869.45380	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	869.4511
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03431	0.2
71.01375	10.1
71.62567	0.2
72.99311	2.3
73.02962	2.4
74.06477	0.2
74.89717	0.2
75.00867	16.4
75.78857	0.2
83.01383	1.5
85.02948	12.4
87.00864	3.8
89.02428	2.9
95.01382	1.6
97.02926	0.9
99.00872	6.0
101.02441	3.8
103.00369	1.0
111.00817	0.4
113.02441	21.2
115.00384	1.8
116.01152	0.2
117.01955	0.8
119.03495	0.3
125.02425	0.9
129.01930	0.4
131.03510	2.5
157.01411	1.0
161.02432	0.2
161.04510	0.3
165.01988	0.2
173.04543	3.6
175.02521	1.8
175.03833	0.2
191.05571	1.5
193.03511	0.4
235.04556	0.4
283.02496	0.3
298.04868	1.3
299.05591	1.5
383.29678	0.3
413.30746	1.3
487.34201	0.4
489.35898	3.0
659.05133	0.2
700.74939	0.2
723.66956	0.2
774.29333	0.2
869.45514	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4909
Annotation	Unknow
Peak:m/z	Relative Intensity
64.80905	5.0
71.01382	21.9
71.45438	5.2
73.02915	6.0
75.97735	4.2
76.12312	3.7
85.02971	6.6
89.02430	7.4
101.02450	17.4
111.00880	4.8
120.66492	3.9
217.96620	4.1
308.87256	4.2
333.60172	5.3
633.94476	5.3
767.46497	23.4
809.47388	79.1
869.49188	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4914
Annotation	Unknow
Peak:m/z	Relative Intensity
60.72282	0.7
63.47053	0.7
65.07035	0.6
66.38008	0.7
66.71912	0.7
69.03439	0.8
71.01376	42.8
73.02944	15.2
83.01381	6.6
84.96606	0.7
85.02950	21.1
87.00871	1.4
87.04500	5.9
89.02430	8.2
91.67365	0.7
92.23083	1.6
95.01368	4.3
97.02943	1.5
99.00871	7.7
101.02433	37.1
111.00882	1.4
112.01588	0.9
113.02443	25.6
119.03476	1.5
125.02451	1.7
131.03484	1.4
143.03510	3.8
159.02960	3.4
161.04555	7.7
165.64418	0.8
184.60187	0.7
211.16020	0.7
229.00908	0.9
399.29507	0.8
437.34201	1.0
473.36456	5.0
749.44745	26.1
767.45935	100.0
795.64252	0.9
809.47034	99.7
869.49744	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	869.4914
Annotation	Unknow
Peak:m/z	Relative Intensity
64.93968	0.9
69.89140	1.1
71.01373	27.1
73.02947	4.7
75.91453	0.9
85.02949	6.7
89.02437	22.1
91.77531	1.0
95.01412	1.3
101.02443	17.5
113.02438	20.1
119.03476	11.4
131.03500	1.2
150.60632	1.2
161.04431	1.3
165.05724	1.3
168.59521	1.2
172.31094	1.1
174.54749	1.1
179.05702	1.3
434.26465	1.2
436.60706	1.1
524.86835	1.5
662.57660	1.3
749.45026	24.3
765.45166	1.7
767.45758	12.8
783.45074	1.9
809.47009	100.0
825.46466	19.0
869.47815	2.3
893.35425	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	871.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
65.60057	0.3
71.69485	0.3
74.64732	0.3
92.88255	0.3
99.04513	1.3
101.02389	0.4
125.02423	0.4
143.21529	0.3
151.00371	2.1
160.01620	1.7
161.02449	1.3
165.01984	0.5
175.00375	0.3
175.03992	4.0
178.99828	0.3
179.03474	0.3
188.59862	0.3
191.07245	0.4
211.48953	0.3
219.36449	0.3
227.03516	2.1
235.06288	0.4
241.05099	0.5
255.03035	7.0
256.03854	1.2
257.04611	0.4
271.06119	1.3
283.02493	20.2
283.05643	0.7
284.03290	26.9
285.04068	100.0
297.03912	0.5
298.04794	1.5
299.05640	12.9
326.04251	0.7
327.05075	2.2
342.37134	0.3
405.17963	0.5
441.30914	0.3
465.23761	1.3
489.10468	8.9
531.11249	0.7
596.84229	0.4
623.14166	48.6
665.17523	0.7
827.20544	22.4
871.47687	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
67.43774	0.5
70.80201	0.5
72.20672	0.5
78.59059	0.4
92.22514	0.9
93.03455	0.5
97.97160	0.4
99.40353	0.4
116.14342	0.4
165.01913	18.2
240.04301	3.7
255.02878	0.6
255.06630	0.9
271.06131	21.8
283.02496	6.5
284.03271	8.1
285.04184	0.5
298.04846	21.5
299.05630	100.0
349.73871	0.5
381.01501	0.5
450.07770	0.6
461.10922	0.5
503.12027	18.9
623.16211	49.5
665.17328	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	871.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
93.03445	2.1
102.22890	0.3
146.00186	0.3
151.00377	0.5
164.04770	1.8
165.01923	22.3
175.00426	0.6
176.01155	0.4
184.46819	0.3
186.66394	0.3
190.02727	8.9
191.03491	1.9
205.05069	13.0
209.04533	0.5
221.08223	0.4
223.06149	2.4
240.04303	4.2
243.06673	1.5
255.02908	3.0
255.06691	1.6
256.03836	1.7
269.04636	0.6
271.06155	30.7
282.09930	0.3
283.02496	27.8
284.03296	18.5
297.04044	0.7
298.04849	49.8
299.05634	100.0
313.07260	1.7
314.04205	1.2
325.09152	0.4
341.06622	0.7
353.08902	0.5
367.10428	4.4
404.21951	0.3
503.12024	38.1
517.59857	0.4
561.36786	0.3
666.16467	1.4
667.16797	76.1
671.87738	0.4
709.17682	0.7
811.44470	0.4
871.22656	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	871.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
64.58736	2.1
68.90369	2.4
69.42882	2.1
71.01371	12.3
77.59853	2.1
85.02946	3.4
89.02456	16.9
89.45582	2.1
100.32684	2.1
101.02448	9.2
108.52467	2.2
109.32790	2.3
113.02432	4.6
119.03545	3.6
121.02913	3.1
134.03749	9.6
135.04584	3.8
137.02457	2.4
142.51070	2.3
149.06065	3.1
151.03986	14.0
163.04037	4.1
173.06117	3.2
175.03931	3.3
189.05522	4.2
190.06366	4.9
193.05013	4.9
205.08720	10.5
209.06786	2.4
214.74095	2.2
267.06644	4.6
269.08179	10.5
280.07510	4.8
281.08121	4.7
282.08948	3.0
283.02194	3.1
283.09729	9.0
294.22470	2.1
295.09695	2.4
299.05484	2.4
300.36008	2.5
305.02783	2.2
307.09882	3.1
429.13321	4.4
441.13547	4.8
443.14963	3.4
444.15985	12.2
447.18588	2.6
455.15201	3.9
458.17816	3.9
459.18796	17.1
471.14862	13.3
474.16574	16.4
477.19153	9.4
486.17062	5.5
489.19183	23.5
501.19275	5.2
507.20145	2.9
531.16608	14.0
534.19147	9.7
546.19116	10.9
549.21393	89.5
561.21411	100.0
579.22449	76.8
783.28912	22.5
786.31842	2.6
811.44910	34.5
827.46222	3.7
871.27502	13.0
871.47913	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	871.382
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	19.9
73.02944	8.2
76.37309	0.7
77.41272	0.7
83.01390	1.2
85.02947	8.2
87.00856	1.0
89.02441	11.8
94.01045	0.8
99.00890	3.6
101.02440	31.7
113.02441	17.5
119.03502	4.1
131.03596	1.0
143.03442	1.5
159.03003	4.2
161.04550	23.6
235.11877	75.7
277.12933	100.0
321.11905	4.3
549.25586	62.5
861.57306	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03960	1.6
71.01378	9.9
73.02555	0.5
73.02941	8.1
82.25146	0.3
83.01393	1.4
85.02939	4.1
87.00863	0.8
89.02431	2.1
92.22561	0.4
97.02933	0.8
99.00869	1.7
99.04503	0.8
101.02433	11.6
110.81365	0.3
113.02428	6.8
119.99129	0.4
125.02440	0.6
143.03500	1.8
145.05052	1.5
149.09694	7.2
153.09250	1.3
159.03006	1.7
161.04553	15.8
161.09698	8.4
167.10733	1.6
179.10788	7.6
181.63078	0.4
197.11789	0.5
203.05579	1.6
205.12286	2.4
210.40758	0.4
217.07156	1.8
235.08241	10.8
277.09235	1.6
297.59842	0.3
323.15060	1.4
326.22839	0.4
381.17993	0.4
385.18744	2.5
403.19559	3.5
445.20834	100.0
489.19669	4.3
514.71368	0.4
715.92438	0.5
764.96417	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
64.92221	1.0
69.81211	1.1
71.01384	23.7
72.32731	0.9
73.02950	13.6
82.56372	1.0
83.01405	2.4
85.02940	9.4
87.00860	2.2
89.02432	9.4
91.17289	0.9
92.22768	2.3
97.02940	2.4
99.00869	2.4
99.04505	2.4
101.02440	35.7
113.02430	16.7
125.02428	1.7
141.31436	1.2
143.03526	2.1
145.05086	1.7
147.58997	1.2
149.09706	5.6
159.02992	5.4
161.04543	36.1
161.09665	13.5
167.10765	1.7
179.10756	10.4
193.05154	1.3
205.12283	2.6
235.08191	14.2
241.14436	1.1
249.13454	4.9
323.15048	4.8
329.45319	1.2
381.17554	11.3
385.18729	22.7
403.19730	37.3
445.20816	100.0
871.24817	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	871.4189
Annotation	Unknow
Peak:m/z	Relative Intensity
62.97261	0.7
64.91039	0.7
71.01391	6.4
73.02943	1.2
85.02937	1.8
89.02431	4.6
99.04511	74.2
100.61527	0.8
101.02428	18.3
113.02428	5.1
119.03474	1.7
122.37263	0.8
125.02435	32.3
136.73531	0.9
143.03514	3.1
150.01378	0.8
161.04575	3.5
165.01892	1.7
175.04045	1.1
179.05548	0.8
197.05489	0.9
255.03021	1.9
256.03604	0.9
256.47626	0.8
271.06113	4.1
283.02582	7.7
284.03299	11.4
285.04077	27.3
298.04819	5.0
299.02176	1.1
299.05609	29.3
303.14389	3.8
321.19095	6.3
363.20306	13.1
403.13312	1.2
403.23306	1.6
405.17709	33.1
421.24246	1.5
465.23422	100.0
475.21460	1.1
489.10077	1.3
503.11954	0.9
623.14276	16.0
665.17316	6.4
827.20935	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	871.4552
Annotation	Unknow
Peak:m/z	Relative Intensity
65.78380	0.3
66.48861	0.3
71.01373	4.1
73.02946	2.2
77.75220	0.3
81.03452	1.1
83.01399	0.6
85.02943	1.7
88.17805	0.3
90.80663	0.3
94.67170	0.3
97.08020	0.3
99.00875	0.7
99.04511	74.4
101.01776	0.6
101.02435	16.7
104.68303	0.3
107.26801	0.4
113.02431	2.8
125.02438	34.0
143.03496	3.5
145.42787	0.3
161.04553	4.8
286.57657	0.3
291.18140	10.5
333.19238	14.5
373.22330	3.2
391.23349	1.3
435.22385	100.0
604.35632	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96553	0.6
65.86406	0.6
71.01375	4.2
73.02933	2.9
75.77549	0.6
85.02946	1.6
89.02415	0.8
92.23064	0.8
99.04512	65.0
101.01794	0.7
101.02445	17.9
109.13258	0.6
111.09227	0.7
113.02451	2.6
125.02437	30.5
143.03494	3.0
151.23155	0.7
159.13188	0.8
161.04507	2.2
164.51820	0.7
175.03955	4.1
191.21732	0.7
193.05054	0.6
210.35043	0.8
246.26361	0.7
252.93279	0.7
265.60037	0.7
274.25464	0.7
291.18137	9.9
298.04724	1.3
309.08936	0.7
333.19254	18.4
373.22421	1.7
435.22394	100.0
457.66290	0.7
871.47943	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	871.4699
Annotation	Unknow
Peak:m/z	Relative Intensity
69.47332	1.7
71.01381	35.8
71.08502	1.9
71.15887	2.0
73.02934	3.8
76.22695	2.1
85.02960	9.0
87.00906	3.4
89.02454	29.2
95.01392	2.3
99.00863	3.9
101.02463	18.8
113.02420	16.1
119.63711	2.0
130.23782	2.1
147.11739	3.5
205.84938	2.6
220.02280	3.1
235.64102	2.5
289.21780	2.6
299.05594	4.4
307.22684	2.2
405.74146	2.3
561.86072	2.3
665.86517	2.3
755.37402	2.6
767.46094	33.6
785.46619	23.9
811.45465	8.9
827.48169	100.0
871.33575	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	871.4707
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	18.4
73.02924	1.7
74.15665	0.4
79.90286	0.4
83.01391	1.6
85.02951	4.2
87.00871	0.7
89.02440	27.4
95.01376	1.9
96.20016	0.4
101.02438	16.2
113.02429	12.1
119.03472	9.3
131.03523	0.5
143.03513	0.4
151.04034	0.4
159.03006	0.6
161.04538	1.6
179.05615	1.6
193.04825	0.4
221.06606	0.5
299.05539	0.5
354.10941	0.4
549.21216	3.8
561.21075	3.6
579.22241	2.2
690.22791	0.4
757.56738	0.5
783.28949	0.7
811.44952	100.0
871.30103	1.2
871.47070	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	871.5069
Annotation	Unknow
Peak:m/z	Relative Intensity
62.05694	1.5
67.01637	1.7
71.01373	13.9
73.02965	2.4
85.02938	7.5
89.02431	3.3
92.26404	1.8
101.02415	4.4
113.02433	4.1
117.05546	1.6
175.81866	1.6
187.75684	1.8
238.55144	1.8
245.75571	1.9
305.05814	1.8
541.59259	2.2
566.36121	2.0
751.46313	25.0
769.47791	2.4
811.33392	2.3
811.48627	90.9
871.50757	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.5056
Annotation	Unknow
Peak:m/z	Relative Intensity
64.29636	1.6
71.01375	36.3
71.16783	1.9
73.02953	13.0
74.01525	1.5
75.81234	1.6
81.55606	2.0
83.01389	8.4
85.02966	18.9
89.02438	3.9
95.01385	2.0
99.00873	7.2
101.02432	26.0
113.02428	19.1
125.02406	2.9
159.03030	2.3
161.04524	3.1
166.18347	1.7
235.97035	2.0
345.69925	2.2
544.97748	2.0
607.04529	2.2
751.45764	20.9
769.47253	60.2
811.48480	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.4491
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99313	9.8
61.02639	0.5
87.00877	6.0
88.00410	2.5
88.01227	0.8
88.98800	100.0
89.02438	18.3
89.02953	0.9
113.02483	0.8
117.37682	0.5
120.35525	0.5
138.56299	0.5
184.47087	0.6
317.46494	0.5
624.72205	0.7
783.45416	2.7
873.48102	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	873.4866
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	21.1
71.15253	0.3
72.99275	0.3
73.02946	7.6
73.05790	0.3
77.95654	0.3
78.18860	0.3
78.55222	0.3
78.75335	0.3
83.01390	4.2
85.02945	11.9
87.00854	1.5
87.04501	1.4
87.12035	0.3
89.01946	0.4
89.02445	6.7
89.42916	0.3
95.01382	2.2
97.02915	0.5
99.00867	3.2
101.02438	24.8
101.54031	0.3
113.02445	17.2
119.03486	3.1
120.54436	0.3
125.02423	1.9
129.01962	0.6
131.03522	0.5
133.91525	0.3
143.03453	1.6
159.02959	2.9
161.04544	5.7
182.09508	0.3
217.50291	0.3
221.06715	0.6
231.55505	0.4
415.29059	0.4
489.35999	0.6
783.26508	0.4
813.46533	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.4861
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	21.1
73.02944	7.7
79.49541	0.5
83.01378	4.6
85.02946	10.3
87.00868	0.6
87.04511	0.8
89.02439	7.5
95.01370	2.3
97.02932	0.7
99.00871	4.0
101.02435	23.6
113.02446	14.8
119.03513	3.0
125.02441	0.9
131.03471	0.9
141.85950	0.5
155.56456	0.5
159.02946	1.0
161.04539	4.8
182.08766	0.6
197.62758	0.6
813.46521	100.0
873.48407	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.4858
Annotation	Unknow
Peak:m/z	Relative Intensity
63.94438	0.3
64.86420	0.3
70.91846	0.3
71.01376	18.3
72.99294	0.3
73.02937	3.7
74.89330	0.3
80.72701	0.3
82.78171	0.3
83.01389	1.7
85.02947	5.7
87.00850	2.5
89.02435	22.8
89.65501	0.3
92.23076	0.4
95.01406	0.7
96.55816	0.3
97.02979	0.4
99.00870	0.7
101.02440	19.1
110.51624	0.3
113.02438	15.0
119.02679	0.6
119.03490	10.6
125.02393	0.7
125.41380	0.3
128.03087	0.3
131.03496	9.3
137.39665	0.3
143.03497	3.2
159.02988	2.8
161.04561	16.8
166.69354	0.3
175.22188	0.4
179.05606	10.5
183.94968	0.4
221.06665	20.3
257.72284	0.4
263.07770	1.6
287.22421	0.4
299.05753	0.5
374.49500	0.4
413.30698	1.7
449.27802	1.7
471.34839	0.3
489.35916	3.9
813.46533	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.4858
Annotation	Unknow
Peak:m/z	Relative Intensity
63.94438	0.3
64.86420	0.3
70.91846	0.3
71.01376	18.3
72.99294	0.3
73.02937	3.7
74.89330	0.3
80.72701	0.3
82.78171	0.3
83.01389	1.7
85.02947	5.7
87.00850	2.5
89.02435	22.8
89.65501	0.3
92.23076	0.4
95.01406	0.7
96.55816	0.3
97.02979	0.4
99.00870	0.7
101.02440	19.1
110.51624	0.3
113.02438	15.0
119.02679	0.6
119.03490	10.6
125.02393	0.7
125.41380	0.3
128.03087	0.3
131.03496	9.3
137.39665	0.3
143.03497	3.2
159.02988	2.8
161.04561	16.8
166.69354	0.3
175.22188	0.4
179.05606	10.5
183.94968	0.4
221.06665	20.3
257.72284	0.4
263.07770	1.6
287.22421	0.4
299.05753	0.5
374.49500	0.4
413.30698	1.7
449.27802	1.7
471.34839	0.3
489.35916	3.9
813.46533	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.4442
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
70.86823	0.6
71.01382	8.1
72.01703	0.5
78.20097	0.5
85.02929	1.3
89.02437	11.4
90.02789	0.9
96.69873	0.5
101.02439	7.5
110.24502	0.5
110.55990	0.5
113.02445	5.2
114.02737	0.8
119.03434	2.5
250.64192	0.7
342.90173	0.7
353.44025	0.7
466.24075	0.7
690.72473	0.6
813.45221	4.5
814.46234	44.9
874.44305	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	875.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
84.24287	0.6
93.03439	5.8
99.00861	1.1
101.02406	0.8
108.02180	5.8
113.47199	0.7
123.04504	8.5
137.02432	17.2
146.77147	0.7
152.01128	14.3
153.01929	0.8
167.03490	100.0
179.03442	0.7
263.96744	0.6
305.58508	0.6
340.66043	0.7
348.06293	0.8
369.12939	0.7
461.13089	3.1
693.76648	0.7
875.24652	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	875.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00342	0.3
93.03457	1.2
97.56028	0.3
109.41736	0.3
126.11706	0.3
139.43497	0.2
158.84763	0.3
165.01918	16.4
165.12781	2.6
175.04080	0.2
178.02773	0.3
183.13893	8.9
203.14355	0.3
207.13963	1.0
212.04890	0.6
221.15462	1.2
224.95413	0.3
227.03520	0.5
227.12982	2.1
227.93909	0.3
230.86075	0.3
231.13820	0.4
233.11903	1.9
240.04297	3.1
243.06664	1.1
249.14819	0.4
251.12967	2.4
255.02850	2.1
255.06641	0.7
256.03775	1.5
265.14429	2.0
271.06137	19.8
275.13004	0.4
283.02499	18.9
283.05646	0.6
284.03287	15.7
293.13965	3.2
298.04849	56.8
299.05627	100.0
348.49399	0.3
371.17145	8.2
503.12009	21.8
623.74896	0.3
671.23584	23.0
858.88068	0.3
875.29871	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	875.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	4.3
73.02941	3.0
82.62029	0.6
84.86110	0.6
85.02930	0.9
92.63673	0.7
99.04511	71.2
101.02435	14.7
107.65425	0.6
113.02433	4.2
119.64388	0.7
122.84355	0.6
125.02432	31.3
125.03345	1.3
143.03513	2.8
159.02881	0.6
161.04520	5.9
163.04074	1.1
204.10193	0.7
205.95921	0.6
279.14499	3.3
307.17715	6.1
321.15466	4.6
349.18713	15.5
389.21683	1.0
407.22595	1.0
423.18713	33.0
451.21893	100.0
452.22305	1.0
487.01373	0.7
665.59863	0.8
875.26300	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	876.46
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01828	0.5
61.98832	100.0
64.43731	0.4
71.01388	1.8
89.02453	3.0
90.28326	0.4
99.85693	0.4
101.02446	1.9
113.02449	0.8
148.67755	0.4
153.45044	0.4
188.71681	0.4
467.92422	0.5
698.02661	0.6
814.47925	0.6
815.48370	0.9
816.47235	10.1
876.45972	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	877.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
67.15919	2.6
83.01394	3.0
96.95996	75.1
98.95590	17.2
99.92569	13.1
100.93351	11.8
115.92077	38.2
116.92854	100.0
119.47723	2.9
141.02899	2.8
166.91194	2.7
551.29016	3.4
561.87494	3.2
593.27991	3.2
755.30762	3.5
833.35065	4.2
877.32977	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	877.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95734	1.8
94.98073	1.1
96.96004	100.0
98.90688	0.4
113.02415	0.4
127.13419	0.2
128.04730	0.3
135.21489	0.2
230.75650	0.3
275.22110	0.2
361.76953	0.2
474.24734	0.3
609.60059	0.2
675.41431	0.3
735.43280	1.1
737.43030	0.3
877.38495	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	877.5175
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	6.8
73.02936	1.2
76.14685	0.6
83.01337	0.9
85.02935	0.8
87.00843	0.9
89.02436	10.2
99.04482	0.9
101.02435	10.5
110.28265	0.7
113.02434	4.1
119.03493	1.9
125.02428	3.3
127.35226	0.8
165.12804	4.6
183.13898	32.9
205.48419	0.8
221.06636	1.1
235.08171	1.4
269.24878	51.8
415.14441	1.0
523.13293	0.8
649.43250	0.8
733.26367	1.0
877.51709	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.5169
Annotation	Unknow
Peak:m/z	Relative Intensity
70.81122	0.6
71.01382	7.8
73.02956	1.2
85.02927	0.7
87.00854	1.5
89.02438	10.4
92.22504	1.0
101.02428	9.9
113.02446	3.6
119.03471	3.0
125.02435	2.7
165.12869	6.5
183.13901	34.5
221.06664	0.9
227.12828	1.2
235.08020	1.0
241.21788	0.9
269.24863	58.4
302.44061	0.7
722.43884	0.7
877.51721	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.5328
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	8.5
71.47528	0.7
73.02936	1.0
77.67817	0.7
85.02959	1.6
89.02426	7.9
100.06644	0.7
101.02432	7.9
108.99906	0.8
111.08068	0.9
113.02425	6.1
119.03487	3.6
148.87921	0.8
165.12866	9.6
183.13898	59.2
197.15479	15.5
207.13885	0.8
209.11760	0.9
224.77821	1.0
225.15002	1.2
227.12851	9.7
283.02463	1.0
298.04852	1.8
333.26932	0.8
342.41269	0.9
467.31931	1.5
483.31100	1.3
749.04474	0.9
877.53235	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
66.58566	1.5
93.02692	1.6
96.95999	100.0
98.94946	3.4
98.95580	41.4
98.96379	2.9
99.92583	14.2
100.90436	3.0
100.93365	16.6
115.92078	33.0
116.92850	87.3
142.94434	3.6
184.01485	1.7
250.30327	1.7
292.94662	1.7
298.04782	1.8
401.62372	2.1
408.43683	1.7
439.43152	1.8
742.47900	1.9
757.32483	7.1
793.32092	2.5
835.35248	3.9
879.34882	93.7
879.52435	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	879.4392
Annotation	Unknow
Peak:m/z	Relative Intensity
67.96383	0.7
71.01376	22.4
72.99287	0.6
73.02927	5.7
81.07048	0.6
83.01384	2.6
85.02934	10.5
85.03363	0.7
87.00871	1.0
89.02437	17.8
95.01384	1.6
99.00887	1.2
101.02444	22.3
106.82053	0.8
113.02447	19.1
113.35285	0.6
119.03490	7.9
161.04549	1.6
179.05554	0.7
240.53467	0.6
240.76849	0.6
299.05548	2.7
308.62619	0.7
369.24341	4.5
451.32114	1.0
469.33701	0.8
775.42786	42.7
793.43842	18.4
835.44928	100.0
869.25958	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.439
Annotation	Unknow
Peak:m/z	Relative Intensity
64.07383	0.3
64.91732	0.3
71.01379	21.5
72.99306	0.3
73.02932	4.1
83.01368	2.2
85.02945	8.5
87.00869	1.5
89.02435	18.4
92.48262	0.4
95.01394	2.6
97.02965	0.6
99.00854	2.1
101.02436	20.0
111.00880	0.5
112.01657	0.8
113.02438	15.3
115.04010	0.5
119.03489	8.7
124.01693	0.5
125.02410	1.8
131.03477	0.6
133.25735	0.4
143.03502	0.8
159.02971	0.5
161.04546	2.2
161.41327	0.4
283.02390	0.5
327.21698	0.5
381.85657	0.4
469.33069	0.8
501.28497	3.0
583.32581	0.6
631.38464	1.6
691.39014	0.6
775.42841	29.4
793.43970	14.4
835.44928	100.0
879.44458	0.9
900.98035	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.4393
Annotation	Unknow
Peak:m/z	Relative Intensity
62.63438	0.4
71.01375	9.1
72.99295	2.3
73.02936	2.6
75.00869	14.8
80.58095	0.4
83.01381	1.0
85.02946	13.2
85.03415	0.5
87.00851	3.0
89.02428	1.9
95.01378	1.8
99.00869	5.3
101.02422	3.4
101.98933	0.4
103.00401	0.5
113.02441	18.8
115.00348	2.2
117.01888	1.0
125.02424	0.4
129.01994	0.5
130.99799	0.4
131.03471	2.3
161.04485	0.4
167.94165	0.5
173.04631	2.9
175.02553	0.8
191.05641	0.6
455.35403	1.7
489.74673	0.5
490.30316	0.5
835.44965	100.0
879.43622	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	881.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	14.0
73.02947	3.9
76.79698	1.5
85.02945	7.5
85.74996	1.6
89.02428	14.8
90.22278	1.5
95.01383	1.9
97.02904	1.9
97.05294	1.6
99.04501	2.2
101.02440	20.3
113.02444	17.6
117.03502	1.8
119.03491	7.4
121.02938	3.9
125.02384	3.5
132.42880	1.7
134.03741	49.4
143.03522	3.1
149.02463	4.2
149.06099	18.5
150.03227	28.6
153.68692	1.8
160.01678	8.4
164.04839	2.5
165.05569	57.2
175.04012	15.8
178.02728	22.7
180.04222	2.4
193.05072	100.0
195.06659	17.8
282.09106	13.5
341.10349	14.1
389.12381	37.2
427.35895	3.1
451.31540	2.0
489.35977	2.3
633.40381	19.9
641.28204	35.1
651.40112	2.0
675.40564	3.8
693.41223	12.5
735.41449	2.9
777.44220	9.2
821.46417	7.2
837.32794	51.3
837.47034	26.1
839.48413	18.4
881.48065	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	881.4386
Annotation	Unknow
Peak:m/z	Relative Intensity
65.36485	1.4
71.01380	31.1
73.02940	8.8
75.00885	1.4
83.01366	2.7
84.83871	1.7
85.02958	13.6
87.00873	2.2
89.02438	38.5
95.01349	7.4
99.00850	1.7
99.04532	3.1
101.02437	28.2
113.02438	33.5
114.31349	1.6
119.03528	12.1
125.02434	7.4
134.03743	24.4
143.03543	2.5
149.02367	1.5
149.06126	11.1
150.03223	16.7
160.01613	3.3
161.04561	3.6
164.04857	2.1
165.05573	37.9
175.04022	10.3
178.02695	15.0
180.04317	2.7
193.05058	50.6
195.06630	10.3
202.68587	1.6
268.94009	1.6
275.73190	1.7
282.08929	6.5
341.10257	9.9
389.12369	21.6
427.35660	1.7
430.05554	1.7
550.45502	1.8
633.39301	18.6
641.28174	25.8
651.39569	5.9
675.40314	6.3
683.71954	1.9
693.40710	48.2
735.41772	8.5
776.52612	1.7
777.44324	6.1
795.44745	8.3
837.47034	100.0
881.44574	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	881.4394
Annotation	Unknow
Peak:m/z	Relative Intensity
63.20132	0.9
71.01378	25.0
73.02943	9.2
75.51814	0.9
81.03458	1.3
83.01385	6.3
85.02943	13.5
86.00114	1.1
87.00843	1.6
89.02443	12.8
90.03209	0.9
92.29868	1.0
94.78900	1.1
95.01369	1.4
97.02935	2.0
99.00858	7.3
99.04496	7.3
101.02441	26.8
113.02451	24.2
119.03484	1.6
124.01645	1.7
125.02420	9.7
127.72163	1.1
143.03474	4.5
144.18199	1.0
159.03038	2.0
161.04524	5.0
175.61127	1.0
182.06081	1.1
213.18669	2.1
357.23059	1.1
393.47943	1.2
489.34366	4.6
515.40173	1.2
633.38605	14.2
651.39734	10.9
659.14551	1.0
659.27393	1.1
664.03485	1.1
675.39453	5.9
693.40857	48.1
732.02551	1.2
735.42102	10.8
777.44165	6.4
795.45459	1.5
821.46228	2.1
837.45154	100.0
881.44763	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	881.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	26.3
73.02937	6.8
83.01437	1.3
85.02934	6.9
85.40678	1.1
89.02442	28.7
89.57393	1.1
93.78608	1.1
93.91441	1.2
95.01366	2.2
101.02444	21.5
112.46536	1.2
113.02442	17.3
119.03487	10.0
161.04584	1.9
168.91867	1.2
179.05629	1.4
251.83041	1.6
312.69803	1.4
777.44080	30.0
795.45343	17.5
837.46503	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01371	26.5
72.99282	0.4
73.02950	3.1
82.54308	0.3
83.01383	1.7
85.02941	7.5
87.00857	0.7
89.02434	28.8
95.01396	2.8
95.01867	0.3
99.00867	0.5
101.02435	17.5
113.02430	18.3
119.03486	10.8
125.02421	0.5
131.03493	0.5
143.03531	0.5
144.35365	0.4
161.04533	1.5
179.05562	2.2
184.87358	0.4
204.64478	0.4
370.68671	0.4
731.32013	0.4
777.44409	18.6
777.58795	0.8
795.45410	10.8
837.46423	100.0
881.45654	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	881.4548
Annotation	Unknow
Peak:m/z	Relative Intensity
63.15755	0.3
64.03033	0.3
71.01374	9.6
72.99278	1.6
73.02934	1.9
75.00864	14.3
77.77895	0.3
81.84975	0.3
82.64606	0.3
83.01357	1.7
85.02946	15.4
87.00865	4.3
89.02416	1.3
92.23077	0.4
95.01385	1.8
95.24555	0.3
99.00874	6.3
101.02435	4.2
103.00346	0.5
113.02438	21.5
115.00336	2.1
117.01871	0.4
125.02426	0.7
129.01935	0.5
143.03520	0.4
157.01434	0.4
161.04550	1.4
175.02554	0.8
229.15057	0.4
259.77609	0.4
328.89246	0.4
347.31345	0.4
399.76566	0.4
409.15070	0.4
423.17371	0.4
652.80273	0.4
795.45642	0.4
837.46448	100.0
881.45007	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	881.4551
Annotation	Unknow
Peak:m/z	Relative Intensity
61.65372	0.7
71.01378	23.6
73.02930	7.8
81.07787	0.7
83.01379	4.0
85.02943	12.2
87.00898	0.9
87.74776	0.8
89.02438	10.8
95.01367	2.0
99.00897	1.5
101.02439	21.6
112.01603	0.9
113.02441	17.2
119.03461	4.3
123.88935	0.7
161.04575	1.3
183.13988	0.8
338.90210	1.0
441.33698	3.6
532.40717	1.0
621.15234	0.8
652.27899	0.9
693.40619	2.0
728.29211	0.9
777.44299	34.8
795.44958	9.8
837.46423	100.0
878.91913	0.9
881.45758	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	881.4548
Annotation	Unknow
Peak:m/z	Relative Intensity
65.27077	0.4
71.01375	19.7
72.99300	0.7
73.02936	5.1
73.94666	0.4
81.03433	0.4
83.01384	2.5
85.02945	6.2
87.00853	2.7
89.02436	18.3
95.01367	3.2
97.02913	0.6
99.00880	0.5
101.02432	19.6
111.00851	0.8
112.01669	0.8
113.02439	16.3
119.03472	6.9
124.01659	0.8
125.02462	1.0
143.03488	1.0
159.02925	0.5
161.04539	2.5
167.16728	0.4
179.05592	0.6
233.13336	0.4
250.44229	0.4
283.02487	0.8
298.04736	1.8
299.05780	0.6
337.81396	0.5
351.23187	0.5
471.34781	1.0
633.41003	1.4
688.63251	0.4
729.41052	0.5
777.44293	24.1
795.45569	12.7
837.46466	100.0
881.45972	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	881.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
65.29396	0.7
71.01380	28.3
73.02944	7.6
83.01376	3.5
85.02944	9.7
87.00883	1.0
89.02437	28.2
89.02959	1.4
95.01388	2.0
99.00895	0.8
101.02435	27.2
113.01670	0.9
113.02444	22.0
119.03490	11.0
131.03539	1.3
134.03737	1.7
143.03520	1.0
165.05530	1.3
179.05554	1.0
193.05016	1.4
290.57352	0.9
343.61209	0.8
417.74139	1.0
566.36053	0.9
713.01099	1.0
761.45490	3.5
777.44427	16.9
795.45648	13.0
821.47217	13.2
837.46527	100.0
881.48816	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	881.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
63.05841	0.6
71.01374	23.6
72.99310	1.0
73.02941	5.0
83.01379	1.6
85.02937	6.9
87.00879	1.1
87.62068	0.7
89.02435	23.7
95.01391	1.1
99.00889	1.0
101.02433	17.7
113.02443	19.6
119.03490	8.6
121.18117	0.8
125.02412	0.8
143.03479	0.7
161.04489	0.9
171.10164	0.9
237.58054	0.7
270.47498	0.8
283.02518	2.4
298.04819	4.0
371.25592	0.6
635.16174	1.2
690.40283	0.8
722.19879	0.8
777.44257	30.6
795.45422	15.0
799.38544	0.9
837.46399	100.0
881.44305	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	9.7
72.99299	1.7
73.02932	1.0
75.00865	11.7
83.01392	0.9
85.02950	15.8
87.00880	3.5
87.01323	0.5
89.02432	1.9
90.14902	0.4
95.01405	1.6
95.21964	0.5
99.00874	5.4
101.02448	3.7
113.02439	21.0
115.00365	1.1
116.92846	6.5
117.01929	0.7
125.38748	0.7
159.03036	0.4
175.02544	0.7
182.43497	0.5
265.14807	3.2
810.86737	0.6
837.46460	100.0
863.35229	0.8
881.45239	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	881.4911
Annotation	Pitheduloside C
Peak:m/z	Relative Intensity
71.01380	31.1
73.02942	19.3
78.86262	0.8
83.01382	4.6
85.02950	15.3
85.03439	1.4
87.00886	1.6
89.02438	21.6
94.27191	0.9
95.01385	5.3
97.02933	1.6
99.00865	1.4
99.33012	0.8
101.02441	25.5
111.83407	0.8
113.02437	35.7
119.03455	9.3
124.01682	2.0
124.17531	0.9
125.02417	1.9
161.04550	4.5
242.43887	0.9
350.52222	0.9
392.14249	1.0
553.00140	0.9
629.48279	1.1
761.45020	24.1
779.45898	19.0
793.44098	5.4
797.47589	1.2
821.47009	96.0
837.46320	2.0
839.48029	40.6
881.49133	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	10.2
73.02951	3.7
83.01362	1.4
85.02939	4.3
89.02435	8.5
99.00880	1.6
101.02433	9.8
113.02451	6.8
119.03461	3.2
135.94371	0.7
141.71519	0.9
161.04575	1.9
163.31227	0.9
179.05566	1.7
373.55493	0.8
390.88065	0.7
394.34167	0.8
444.35654	0.8
497.32718	1.2
559.32892	3.6
601.33704	1.3
609.47235	0.8
721.38312	5.1
763.39520	7.2
781.39447	9.2
823.24866	1.3
823.28143	0.8
823.40930	82.2
883.43408	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	883.4702
Annotation	Deltonin
Peak:m/z	Relative Intensity
71.01379	21.5
71.01779	0.6
72.99304	0.6
73.02946	3.0
73.07492	0.4
83.01384	1.9
85.02944	5.9
87.00847	1.0
89.02438	24.7
91.90455	0.4
95.01379	2.7
99.00862	0.7
100.94318	0.5
101.02441	16.6
102.16012	0.5
112.01639	0.5
113.02442	14.9
119.03481	8.7
124.01633	0.4
131.03445	0.6
161.04538	0.9
179.05753	0.5
205.96765	0.4
279.02612	0.5
373.78003	0.5
381.57516	0.5
422.27991	0.6
779.45880	19.2
797.46979	8.6
839.48071	100.0
883.47498	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4701
Annotation	Deltonin
Peak:m/z	Relative Intensity
71.01384	24.7
73.02935	5.5
82.98067	2.3
83.01399	2.5
85.02921	5.2
89.02427	21.8
97.02936	3.1
99.00871	4.3
101.02422	23.0
113.02443	26.8
119.03464	5.4
124.31966	2.2
125.02413	3.8
192.77124	2.1
198.43306	2.3
441.18549	2.6
677.42615	15.0
779.45551	10.0
797.47125	13.3
839.48010	100.0
883.49792	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	883.4698
Annotation	Deltonin
Peak:m/z	Relative Intensity
71.01012	1.0
71.01381	19.7
71.24500	0.7
72.01758	1.0
73.02943	4.6
74.69211	0.7
83.01405	1.8
85.02943	7.8
87.00845	1.4
89.02434	12.0
95.01379	1.0
99.00874	1.5
101.02442	17.2
102.02743	0.7
113.02445	14.4
114.65034	0.9
119.03520	4.4
124.01635	0.9
125.02440	0.9
153.06357	0.8
159.02794	1.0
161.04558	1.2
273.13892	0.9
284.64566	0.9
387.28345	0.9
504.30753	0.9
779.45587	24.3
797.46869	10.2
823.48541	1.2
839.47839	100.0
883.46771	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	883.4711
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01374	14.4
73.02943	9.1
75.00862	1.8
79.96889	1.6
83.01379	2.2
85.02952	10.8
86.00096	1.6
87.04522	3.8
89.02446	2.5
97.02985	1.8
99.00871	1.9
101.02434	24.4
102.22592	1.4
113.02462	13.1
116.18700	1.8
124.01629	7.7
125.02407	1.9
141.92059	1.5
150.02753	1.6
161.04576	5.7
389.07458	1.8
397.27728	2.4
679.92175	1.7
728.33453	2.0
779.46033	10.9
781.44470	2.3
797.47534	11.3
823.46851	2.3
839.48108	100.0
861.36560	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	883.4705
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	15.1
71.45586	0.7
72.99314	0.9
73.02942	1.6
77.69900	0.7
83.01421	1.0
85.02959	5.7
85.03383	0.8
89.02451	15.6
95.01385	1.0
99.00846	1.1
101.02432	12.5
113.02447	9.7
119.03487	6.5
121.88952	0.8
126.63419	0.7
141.32422	0.7
143.03445	1.1
161.04559	3.6
161.11824	0.7
179.05632	5.1
235.46320	0.7
244.81624	0.8
323.10275	0.9
533.22162	0.8
763.42810	18.2
781.44476	1.4
823.44983	80.0
839.47839	12.7
883.47095	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	883.5068
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	16.9
73.02939	3.6
75.50484	1.6
78.26470	1.7
82.28789	1.6
83.01357	1.6
85.02941	11.3
89.02455	8.4
90.79187	1.7
92.22522	3.2
101.02454	16.2
103.99850	2.4
104.41368	1.8
113.02441	10.2
119.03490	2.3
142.48138	1.7
161.04547	3.3
226.06213	1.9
254.82184	1.8
335.70685	1.8
426.14493	2.1
490.93216	1.8
505.82520	2.0
529.80957	1.8
763.46808	10.4
781.47168	9.7
823.48529	62.2
839.47955	20.0
883.50787	100.0
894.56537	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	885.21
Annotation	Unknow
Peak:m/z	Relative Intensity
65.38710	0.4
66.11895	0.4
69.70074	0.4
79.50498	0.4
79.60642	0.4
92.23148	0.5
93.03439	1.8
134.03717	1.2
142.03419	0.5
153.92300	0.7
160.01645	6.7
161.02374	0.8
165.01906	19.8
175.04001	15.5
179.03514	0.9
193.05037	3.5
206.02222	0.6
240.04362	4.5
243.06598	0.8
255.03047	2.8
255.06635	1.3
256.03668	0.8
256.71512	0.6
271.06155	26.7
283.02496	20.7
284.03259	18.7
298.01407	1.0
298.04837	44.0
299.05630	100.0
313.06876	0.6
337.09348	4.1
503.11990	29.3
523.17853	0.6
637.15698	90.5
679.16266	1.0
826.45276	0.6
841.22400	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	885.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
62.40609	0.6
63.43246	0.5
72.09936	0.5
92.23090	1.1
93.03465	0.9
101.75883	0.6
112.23100	0.5
134.03728	0.7
151.54939	0.7
160.01672	4.2
161.02409	1.0
165.01910	21.5
175.03987	13.5
175.98965	0.6
178.02740	0.6
191.07169	0.7
193.05031	2.9
226.19353	0.6
240.04285	3.3
255.03116	1.2
255.06596	2.2
256.03656	1.0
271.06155	20.6
283.02487	14.9
284.03247	14.6
298.01422	1.0
298.04846	39.3
299.05624	100.0
337.09439	2.8
449.20331	0.6
503.11984	29.3
637.15704	92.5
766.80615	0.6
841.21771	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	885.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	7.3
73.02946	1.2
75.00888	6.1
79.57906	1.3
85.02940	7.2
85.09705	1.2
87.00875	1.6
89.02441	2.7
90.52182	1.1
95.01389	2.1
99.00828	2.1
113.02446	20.2
115.00306	1.4
117.01942	2.0
129.01991	1.6
134.03735	10.1
137.02437	1.8
149.06084	5.3
167.03479	2.5
168.30855	1.3
175.04010	8.1
179.03500	1.7
191.67909	1.6
193.05057	37.0
195.06651	5.2
247.55148	1.3
249.06042	16.3
267.07199	40.8
276.44290	1.3
443.11996	100.0
472.65338	1.3
501.18060	1.6
562.00360	1.6
658.69562	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	885.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
61.59775	0.5
62.45554	0.4
71.01393	0.8
73.69386	0.4
78.86791	0.4
79.01888	0.5
85.02943	5.3
87.00858	2.0
99.00866	0.8
105.96979	0.4
119.05014	30.6
129.01953	4.7
145.02895	0.6
159.03006	2.1
162.51796	0.4
163.04005	100.0
179.05650	0.8
191.05617	5.7
193.05098	2.8
198.50978	0.5
199.97246	0.4
209.06676	32.4
218.48557	0.4
227.62007	0.4
281.13992	0.6
355.10382	74.1
378.73331	0.5
520.26318	0.5
529.20734	0.9
618.08789	0.5
618.19666	0.6
799.37592	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.3774
Annotation	Unknow
Peak:m/z	Relative Intensity
61.51357	0.6
66.15299	0.6
67.43046	0.6
71.01382	10.7
73.02937	8.6
83.01382	1.5
85.02950	5.0
89.02449	3.4
90.00780	0.7
95.01350	0.7
96.96039	0.7
97.02901	0.9
99.00877	3.2
99.04515	38.7
101.02428	24.0
103.65703	0.7
113.02434	8.3
119.03508	0.9
125.02435	10.9
143.03503	2.8
159.02988	0.9
161.04549	14.9
163.04097	0.9
178.17900	0.6
193.05122	1.0
203.05739	0.9
221.06616	1.4
254.34746	0.7
283.11935	9.1
284.03247	0.8
299.05579	1.1
325.13037	6.6
365.16205	1.0
399.59216	0.8
413.21921	8.5
427.16125	100.0
866.89899	0.9
885.30206	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	885.4859
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	6.6
71.71872	0.5
72.13814	0.5
73.02947	0.8
82.92512	0.5
83.01389	0.5
85.02943	0.6
89.02436	7.2
89.49274	0.4
90.14500	0.4
90.29693	0.4
97.02972	0.6
101.02437	6.6
113.02436	3.5
119.03497	2.4
125.02403	1.2
131.03491	0.5
140.76945	0.5
159.91229	0.5
161.04581	0.8
165.12877	3.9
174.54491	0.5
183.13899	36.0
221.06686	1.0
227.12831	0.9
235.08154	0.8
238.88766	0.5
253.09407	0.5
277.21713	17.4
285.30179	0.5
397.13196	0.6
454.15674	0.6
697.52429	0.6
738.52252	0.7
748.82581	0.5
787.97253	0.6
870.30176	0.6
885.48615	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	885.486
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	5.6
73.02929	0.9
78.98373	0.5
82.52331	0.5
83.01389	0.5
85.02930	0.8
87.00900	0.7
89.02436	7.5
97.02967	1.1
101.02430	7.3
105.09708	0.5
113.02441	3.9
119.03464	2.7
125.02409	0.8
129.89636	0.5
131.03482	0.6
161.04523	2.0
165.12781	3.9
183.13890	29.7
235.08093	0.9
261.87582	0.6
277.21741	34.5
463.20154	0.6
523.08588	0.6
672.86871	0.6
815.57123	0.6
885.48596	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4871
Annotation	Unknow
Peak:m/z	Relative Intensity
65.81784	1.3
71.01369	27.4
73.02953	3.5
83.01426	1.8
85.02940	3.5
85.91956	1.6
87.00885	1.9
88.43124	1.4
89.02428	20.2
99.00902	1.7
101.02441	18.2
105.46243	1.4
113.02451	18.1
119.03486	7.5
131.16801	1.6
136.84677	1.6
153.79172	1.4
161.04504	2.2
165.01828	2.4
269.17447	1.4
271.06235	1.8
283.02371	2.1
298.04819	8.2
299.05573	14.7
475.37817	2.1
637.15814	7.3
781.47638	18.2
799.48383	8.2
841.49652	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4853
Annotation	Osladin
Peak:m/z	Relative Intensity
71.01380	18.2
73.02953	7.6
75.24265	0.7
77.42790	0.8
83.01389	3.4
85.02940	9.6
87.00863	1.6
87.04490	0.8
88.30046	0.8
89.02445	8.0
95.01390	1.5
97.97349	0.8
99.00847	1.9
101.02443	17.8
113.02435	11.1
119.03432	1.3
125.02446	1.6
143.03479	0.9
159.03021	1.1
161.04546	3.6
298.04697	1.4
299.05573	5.5
329.23160	1.9
399.32913	2.0
475.38010	5.1
623.26709	1.0
637.15363	3.8
799.48340	1.2
825.50134	6.7
841.49579	100.0
885.47205	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	885.4858
Annotation	26-Deglucoprotodioscin
Peak:m/z	Relative Intensity
67.82198	0.5
68.82281	0.6
69.68723	0.5
71.01382	5.0
73.02926	0.7
79.42979	0.6
85.02962	1.3
89.02442	5.6
92.22436	0.7
100.22423	0.5
101.02448	5.1
113.02432	3.4
117.53358	0.6
119.03475	1.4
133.72165	0.8
145.22398	0.6
161.04605	0.9
171.57309	0.6
179.05498	0.9
211.08212	0.7
219.43936	0.8
247.72235	0.7
259.55014	0.6
295.06439	0.7
297.77948	0.7
631.33624	0.7
765.44482	5.0
783.46088	0.9
809.43097	1.3
825.46564	44.5
853.59839	0.7
885.48639	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
61.70922	1.0
71.01385	4.9
73.02942	1.6
79.21601	1.0
89.02441	1.5
99.04509	57.0
101.02432	14.3
113.02467	2.6
120.14046	1.1
125.02437	27.6
143.03468	1.7
159.02815	1.4
161.04575	6.5
269.10260	5.3
306.63000	1.1
311.11288	16.9
351.14545	1.7
369.66226	1.1
413.14584	100.0
429.21225	4.0
887.32410	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4642
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	0.5
87.00866	1.8
88.00385	0.9
88.98799	100.0
89.02432	7.6
136.02092	0.5
180.84552	0.5
302.46747	0.4
305.98969	0.5
789.77722	0.7
797.47021	3.8
887.48126	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	887.4655
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	16.6
72.99299	2.1
73.02937	1.3
75.00867	13.2
85.02932	2.6
89.02441	23.8
95.01377	1.0
99.04507	1.2
101.02440	15.1
113.02442	11.7
119.03494	8.2
125.02444	0.7
133.90359	0.5
147.54811	0.5
150.29095	0.6
179.05602	0.6
222.57579	0.6
327.67575	0.6
346.35788	0.5
350.19864	0.5
383.21439	0.6
388.14023	0.6
466.54419	0.6
479.24997	2.1
555.68719	0.7
743.18713	0.7
765.32007	0.6
811.44873	6.9
827.44458	100.0
887.22742	1.9
887.40582	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	887.5014
Annotation	Unknow
Peak:m/z	Relative Intensity
62.32516	0.7
65.62178	0.7
71.01373	7.0
71.30637	0.8
71.31049	0.8
74.25076	0.7
75.65550	0.7
80.85697	0.8
85.02953	1.1
85.34529	0.8
89.02408	6.0
101.02435	5.0
113.02448	3.7
114.87414	0.8
119.03477	2.0
122.25574	0.8
128.70119	0.7
161.04524	1.0
189.32588	0.9
196.13629	0.9
229.92381	0.9
309.42279	1.0
328.71030	1.0
335.11334	0.9
491.37265	1.2
494.96075	1.2
573.86902	1.1
767.46094	8.6
784.46149	1.2
785.45941	7.2
827.48065	44.4
831.20953	1.0
887.50287	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.5021
Annotation	Unknow
Peak:m/z	Relative Intensity
65.89174	1.6
71.01370	22.9
71.04994	2.0
73.02943	4.1
75.56760	1.5
85.02946	3.6
88.15424	1.7
89.02431	17.3
92.22520	3.7
93.89824	1.7
101.02457	18.2
113.02452	14.2
119.03461	3.9
120.75980	2.0
129.64497	1.8
143.10789	18.9
176.69969	1.8
353.72562	2.1
491.37381	6.8
605.40833	7.7
647.41321	2.0
767.46033	34.8
785.47223	10.6
827.48090	100.0
887.50165	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	887.5015
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	10.1
63.75814	6.6
64.03185	6.8
88.75727	7.9
132.95633	7.0
175.62433	7.4
183.13922	38.0
188.34196	7.8
222.85056	8.0
279.23300	61.1
374.27222	7.6
402.31500	7.8
442.73743	7.8
462.55490	9.2
887.50854	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	50.8
71.01379	8.4
71.20230	1.7
75.11436	1.8
76.79462	1.7
82.98362	1.8
86.38262	1.6
89.02432	3.7
94.67940	1.8
101.02426	9.6
113.02416	3.7
165.12810	3.1
183.13881	39.5
279.23331	26.0
287.82648	1.8
887.50024	100.0
924.84076	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	887.502
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	6.9
73.02930	1.5
83.01419	0.7
85.02947	2.8
86.86659	0.3
89.02440	5.4
95.01377	0.5
99.00819	0.4
101.02441	6.8
113.02449	4.8
119.03483	2.3
127.00033	0.3
145.30031	0.3
161.04568	0.6
179.05563	1.5
200.05231	0.3
415.32309	0.4
491.37311	3.0
499.54083	0.3
605.40527	0.5
767.46021	7.3
785.46954	4.1
827.48071	49.0
850.13397	0.4
887.50208	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.5019
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	1.4
68.74166	0.8
71.01377	3.9
81.74592	0.9
89.02428	5.5
92.23029	1.5
95.68168	0.9
99.47018	0.8
101.02436	4.7
107.98757	0.9
110.46691	0.9
111.57848	0.9
113.02417	2.1
119.03496	1.0
119.80176	1.0
214.34172	1.1
767.46539	6.3
785.46802	1.2
827.48151	40.2
887.50165	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.4598
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.64646	0.4
63.77636	0.4
70.31329	0.4
71.01385	2.0
77.24113	0.4
89.02450	0.7
91.89970	0.5
91.97890	0.4
95.88165	0.4
101.02459	1.1
113.02424	0.7
136.96739	0.4
211.45178	0.4
212.23169	0.4
313.27972	0.5
334.09427	0.6
768.45465	1.1
826.48499	0.7
827.47534	1.8
828.47418	15.7
888.49481	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	889.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
63.72155	0.4
72.82877	0.4
74.01230	0.4
78.26253	0.4
82.38892	0.4
83.09483	0.4
122.61549	0.5
124.93822	0.5
139.96574	0.4
156.96320	0.4
165.01958	2.7
165.12813	1.1
183.13913	4.7
201.56398	0.4
227.12970	0.8
235.59544	0.4
255.03035	3.6
271.06137	2.3
283.02499	51.9
284.03180	4.0
298.04846	100.0
299.05640	14.5
358.74289	0.5
473.41547	0.5
617.15149	2.8
635.16266	7.0
820.07947	0.5
845.28784	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	889.5175
Annotation	Unknow
Peak:m/z	Relative Intensity
63.59996	0.3
71.01377	7.0
72.99294	0.6
73.02934	0.9
76.38700	0.3
83.01389	0.7
85.02946	0.8
87.00854	0.8
89.02441	8.8
97.02934	0.9
101.02434	10.3
113.02439	5.2
117.04230	0.4
119.03493	2.8
123.49857	0.4
125.02457	2.3
131.03520	0.5
143.03505	0.7
161.04553	1.5
165.12848	5.3
179.05545	0.5
183.13911	35.4
215.80725	0.4
221.06703	0.8
227.12836	0.8
227.20114	1.6
235.08218	1.6
253.09267	0.7
281.24881	53.2
397.13416	0.6
889.51770	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	3.2
70.73844	1.6
71.01356	1.7
85.02950	1.6
101.02410	1.7
112.57392	1.6
116.74261	1.4
122.03757	1.7
134.03772	12.2
149.02354	2.0
149.06079	3.2
150.03227	23.5
160.01636	21.5
163.04237	1.5
164.04796	1.7
165.05547	36.3
175.03987	73.2
180.04329	2.9
190.06360	3.4
193.05040	28.7
195.06593	9.5
235.06180	6.6
245.29825	1.6
282.08939	2.0
294.09015	2.3
297.07962	2.2
297.11176	2.1
309.07690	21.7
309.11313	6.4
312.10037	19.8
323.09244	2.6
324.10043	27.4
327.12476	21.6
337.09274	18.1
339.12405	15.1
355.11029	1.6
381.99222	1.5
382.27362	1.6
416.36249	1.7
431.13791	2.4
485.14578	2.4
515.15778	5.9
533.16711	16.7
695.23438	100.0
756.93726	1.7
761.91113	1.8
829.02222	1.9
843.28473	1.7
891.31067	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	891.3876
Annotation	Unknow
Peak:m/z	Relative Intensity
69.11940	0.4
71.01376	10.2
73.02938	9.1
77.18196	0.5
77.24635	0.6
83.01380	1.1
85.02940	3.4
87.00883	0.7
89.02436	2.1
94.17210	0.5
99.00890	0.6
99.04432	0.5
101.02434	9.4
110.74196	0.5
113.02448	7.2
114.33311	0.5
119.03431	0.6
125.02419	0.9
131.03423	0.7
143.03481	0.9
145.05051	0.6
149.09706	7.0
153.09247	0.7
159.02995	2.5
161.04549	14.3
161.09734	7.2
167.10687	0.8
179.10741	6.5
203.05580	0.6
205.12321	1.1
217.07239	2.0
235.08211	9.6
277.09155	1.0
323.14948	0.7
338.25772	0.6
385.18738	1.2
396.95847	0.5
401.18079	0.9
403.19791	2.7
432.75916	0.6
445.20831	100.0
489.19855	5.5
791.72003	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.3876
Annotation	Unknow
Peak:m/z	Relative Intensity
69.11940	0.4
71.01376	10.2
73.02938	9.1
77.18196	0.5
77.24635	0.6
83.01380	1.1
85.02940	3.4
87.00883	0.7
89.02436	2.1
94.17210	0.5
99.00890	0.6
99.04432	0.5
101.02434	9.4
110.74196	0.5
113.02448	7.2
114.33311	0.5
119.03431	0.6
125.02419	0.9
131.03423	0.7
143.03481	0.9
145.05051	0.6
149.09706	7.0
153.09247	0.7
159.02995	2.5
161.04549	14.3
161.09734	7.2
167.10687	0.8
179.10741	6.5
203.05580	0.6
205.12321	1.1
217.07239	2.0
235.08211	9.6
277.09155	1.0
323.14948	0.7
338.25772	0.6
385.18738	1.2
396.95847	0.5
401.18079	0.9
403.19791	2.7
432.75916	0.6
445.20831	100.0
489.19855	5.5
791.72003	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.5336
Annotation	Unknow
Peak:m/z	Relative Intensity
67.56078	0.5
71.00324	0.4
71.01381	6.3
73.02946	0.8
78.03582	0.4
83.01394	0.7
83.91326	0.4
85.02937	1.0
87.00858	0.8
89.02437	9.1
90.74532	0.4
91.32753	0.4
92.93429	0.4
95.01421	0.6
97.02947	1.6
99.00856	0.9
101.02448	7.6
111.04484	0.4
111.08087	0.4
113.02438	3.2
119.03481	1.0
119.99955	0.5
125.02414	1.0
143.03503	1.0
144.87439	0.4
161.04520	0.7
165.12834	4.8
166.12039	0.5
183.13907	33.2
209.11877	0.7
221.06735	1.9
227.12917	1.0
235.08275	1.9
253.09467	0.6
283.26447	50.5
340.96371	0.4
369.16074	0.5
397.13242	0.5
415.14865	0.6
574.62152	0.5
643.26422	0.5
747.27441	0.5
891.53345	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.5327
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03488	0.4
71.01378	7.1
73.02946	1.1
83.01372	0.7
85.02942	0.9
87.00854	1.9
89.02436	8.9
97.02930	1.0
99.00880	0.4
101.02434	8.7
101.03396	0.4
104.09803	0.5
113.02428	3.7
119.03499	1.1
125.02431	1.6
143.03482	1.1
153.93109	0.5
161.04549	1.7
165.12819	5.3
179.05632	0.7
183.13895	31.1
221.06703	0.7
227.12857	2.7
235.08240	1.9
283.26431	52.0
540.79810	0.6
837.55664	0.6
875.89899	0.5
891.53326	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.4342
Annotation	Unknow
Peak:m/z	Relative Intensity
63.15826	1.1
64.23574	0.8
70.70029	0.9
71.01377	46.0
72.99277	1.4
73.02937	39.6
83.00957	0.8
83.01363	7.6
85.02933	7.9
87.00861	1.4
89.02437	36.0
92.23156	1.0
95.01396	4.7
101.02440	38.3
113.02446	25.8
119.03487	12.4
125.02383	1.7
129.21288	1.0
131.03470	3.7
143.03526	2.2
149.04555	2.1
161.04565	6.4
179.05641	7.8
225.96791	1.0
629.37036	7.1
791.42303	20.2
809.43097	13.5
851.44354	100.0
895.43103	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	895.4342
Annotation	Unknow
Peak:m/z	Relative Intensity
63.15826	1.1
64.23574	0.8
70.70029	0.9
71.01377	46.0
72.99277	1.4
73.02937	39.6
83.00957	0.8
83.01363	7.6
85.02933	7.9
87.00861	1.4
89.02437	36.0
92.23156	1.0
95.01396	4.7
101.02440	38.3
113.02446	25.8
119.03487	12.4
125.02383	1.7
129.21288	1.0
131.03470	3.7
143.03526	2.2
149.04555	2.1
161.04565	6.4
179.05641	7.8
225.96791	1.0
629.37036	7.1
791.42303	20.2
809.43097	13.5
851.44354	100.0
895.43103	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	895.4338
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	20.3
72.99303	0.5
73.02945	5.0
81.03443	0.3
83.01385	2.8
85.02946	7.8
87.00863	1.8
89.02431	17.6
95.01369	2.9
96.95980	0.3
97.02951	0.7
99.00874	1.7
99.04507	0.6
101.02435	19.8
111.00837	0.6
113.01644	0.6
113.02436	15.8
113.03207	0.7
119.03497	5.2
124.01651	0.6
125.02418	2.0
143.03542	1.4
159.02980	0.5
161.04565	2.5
165.79294	0.3
175.03795	0.4
179.05557	0.5
261.47635	0.3
283.02740	0.4
298.04831	0.8
299.05618	0.5
311.20145	3.2
318.52176	0.4
337.21799	2.1
355.22876	0.7
419.29669	2.3
433.20929	1.2
433.50879	0.4
437.30576	5.4
455.24606	3.2
455.30350	0.4
461.11099	1.3
473.25504	5.6
499.27359	0.4
563.33472	0.7
581.34930	2.9
599.35944	3.5
629.36102	0.8
743.40247	4.0
761.41003	4.0
779.43079	1.4
791.42273	27.0
803.42188	2.3
809.43408	6.7
821.43811	2.8
835.44635	1.6
851.44409	100.0
895.43658	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	895.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
66.54852	0.4
67.07312	0.3
71.01377	8.5
72.99288	1.4
73.02943	2.5
75.00459	0.6
75.00867	14.4
75.56053	0.4
83.01369	0.9
85.02950	14.5
87.00875	4.0
89.02435	1.9
95.01373	0.9
97.02921	0.7
99.00880	5.1
101.02433	4.6
111.00874	0.5
113.02439	20.2
115.00369	1.8
116.01130	0.4
117.01923	0.7
131.03477	2.2
157.18846	0.4
173.04518	3.5
174.69806	0.4
175.02515	1.4
180.36430	0.4
183.68973	0.5
191.05653	0.5
397.27985	0.4
809.44116	0.6
851.44415	100.0
895.43262	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	895.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34293	0.8
66.39362	0.8
68.26054	0.7
71.01378	5.9
73.02940	1.8
73.15932	0.8
81.03452	0.9
81.56859	0.8
83.01380	0.9
85.02944	3.8
89.02435	6.1
91.02853	0.8
96.81792	1.0
99.00837	1.1
99.04510	100.0
101.01787	1.0
101.02437	26.5
113.02434	5.1
119.03477	2.0
124.85862	0.9
125.02429	46.5
143.03500	4.9
143.10945	0.9
161.04521	6.0
226.49756	1.0
291.18030	6.5
333.19241	14.2
357.19162	8.0
372.95752	0.9
373.22519	1.7
413.85376	1.0
435.22400	95.8
459.22412	63.1
604.43781	0.9
771.58661	1.0
851.41895	1.4
895.40472	2.8
900.39856	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.4702
Annotation	Unknow
Peak:m/z	Relative Intensity
62.46360	0.9
64.84980	0.9
68.34717	0.9
69.44797	0.9
71.01376	49.8
72.14699	0.9
72.99326	1.5
73.02940	34.2
83.01387	7.8
85.02950	20.5
87.00860	1.6
89.02438	31.0
95.01379	4.9
99.00862	2.1
101.02438	45.4
113.02444	53.2
119.03497	12.8
125.02457	1.4
131.03514	2.7
143.03435	2.0
149.04553	2.7
161.04541	7.1
179.05608	1.9
200.50914	1.1
209.06447	1.1
221.06569	1.1
332.72678	1.2
419.53781	1.5
629.37073	2.7
630.50555	1.2
673.40186	1.4
775.42706	32.1
793.43994	19.3
835.44922	100.0
853.45941	45.9
895.46997	92.4
895.64929	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	895.4704
Annotation	Unknow
Peak:m/z	Relative Intensity
65.52402	1.1
71.01379	53.1
73.02943	31.7
79.40793	1.4
83.01379	9.8
85.02948	20.7
86.54124	1.1
87.00877	1.6
89.02438	38.9
92.23212	1.1
95.01384	10.4
96.95997	42.9
99.00857	2.1
99.60377	1.2
101.02435	42.6
113.02442	44.2
117.20815	1.2
119.03512	10.6
131.03479	5.1
143.03513	2.5
149.04570	1.7
151.60507	1.2
161.04552	12.1
172.16289	1.3
179.05566	3.0
193.05127	1.3
221.06668	2.4
318.92935	1.6
433.32410	1.2
436.84363	1.2
518.52020	1.4
543.24237	1.3
613.37537	4.6
647.38202	6.6
775.42621	38.6
791.42358	8.0
793.43787	23.1
809.42737	5.5
835.45013	100.0
851.44708	30.3
853.46130	22.2
895.30310	2.5
895.47089	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	895.5069
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	12.1
71.17253	2.4
73.02963	3.6
75.00850	4.2
81.09427	2.9
83.01365	2.3
85.02926	15.1
89.02428	2.5
99.00880	8.9
100.39783	3.3
113.02449	5.3
114.14682	2.3
131.03456	2.9
143.03468	3.6
154.13821	2.9
218.55014	2.5
367.29932	2.6
439.36060	4.4
769.97083	3.3
895.50928	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.5116
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95900	0.7
80.83057	0.3
96.01176	0.3
110.98514	1.9
140.43030	0.3
167.01152	1.7
185.02211	2.4
194.27306	0.4
198.44643	0.3
216.73317	0.3
220.35112	0.3
229.08549	0.3
279.23318	100.0
305.39355	0.4
447.25259	45.9
569.64764	0.4
648.08380	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.5114
Annotation	Unknow
Peak:m/z	Relative Intensity
73.42355	0.9
78.95891	1.7
84.52732	0.9
110.98516	5.7
154.33176	1.0
167.01140	11.8
172.60468	1.1
185.02246	1.6
189.76608	1.1
279.23306	100.0
377.21640	1.2
387.45972	1.2
447.25250	57.2
600.53937	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	9.9
72.99321	1.0
73.02946	3.9
75.00863	5.7
83.47404	0.6
85.02943	8.4
87.00861	1.3
89.02443	3.3
95.01386	2.3
99.00875	6.7
101.02428	5.7
102.86798	0.5
103.00346	1.3
107.85648	0.6
113.02444	20.8
115.00388	0.6
117.01920	0.7
129.02000	0.7
134.03738	11.9
149.06064	4.4
153.07268	0.6
157.01425	1.0
160.01656	1.0
161.02487	1.1
161.04535	5.8
175.02571	1.8
175.03990	6.0
179.03455	0.6
193.03336	1.3
193.05080	33.7
201.51120	0.6
207.05074	0.8
217.10774	0.9
231.05020	0.8
235.11890	23.2
249.06181	17.8
256.28217	0.6
267.07178	44.1
367.16125	7.5
369.62585	0.6
409.17209	49.9
438.08356	0.6
443.12006	100.0
453.16147	1.1
542.35529	0.6
828.76813	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.4345
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	32.0
71.85670	2.3
72.99287	2.8
83.01377	3.8
85.02924	3.7
87.00900	10.7
89.02442	31.5
96.96008	2.7
101.02464	35.4
113.02454	18.9
115.00350	11.1
125.02444	10.4
131.03542	3.4
133.01427	26.9
143.03506	2.7
161.04538	11.0
179.05553	3.7
221.06699	5.9
240.74739	2.7
265.14847	24.9
277.21713	25.8
501.41010	2.9
508.13928	2.9
559.18774	67.8
577.19623	21.0
614.32147	3.3
719.43384	3.8
837.41241	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.4495
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	26.1
73.02944	10.1
82.73523	0.6
83.01376	3.5
85.02945	12.6
87.00855	2.8
89.02440	22.6
92.23202	0.7
93.38850	0.6
95.01390	4.2
99.00879	1.5
101.02443	22.0
102.02753	0.7
106.70708	0.6
113.02445	31.9
119.03484	8.3
125.02406	0.8
131.03404	1.0
143.03500	1.0
149.13275	0.7
159.02942	0.8
161.04549	1.1
164.25900	0.8
649.39514	0.8
691.41174	0.8
709.40442	1.1
750.81738	0.8
754.67706	1.2
777.44293	1.1
793.43988	28.0
811.45233	11.4
837.47034	4.8
853.45886	100.0
897.49103	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	897.4495
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	16.6
73.02930	4.9
75.00861	1.9
75.75695	0.5
83.01386	2.1
85.02946	6.6
86.74052	0.5
87.00887	3.3
89.02433	20.0
95.01405	0.9
96.95998	2.6
97.02929	0.6
99.00861	2.7
101.01772	0.8
101.02430	20.3
110.79587	0.5
113.02441	14.3
116.73636	0.4
119.03492	9.7
125.02439	0.6
129.01993	0.6
131.03487	7.5
143.03484	2.5
149.04579	0.5
159.02979	2.2
161.04536	13.8
161.05788	0.8
179.05617	6.5
221.06662	12.6
232.74512	0.4
263.07724	2.4
283.02502	0.5
346.33957	0.5
383.12146	0.7
649.15491	0.7
691.40131	0.9
793.43713	2.8
811.44965	4.0
853.45941	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
66.15173	0.4
71.01376	21.5
72.99315	0.8
73.02930	5.9
83.01379	1.9
85.02950	8.3
87.00837	0.7
89.02434	26.1
95.01361	2.3
101.02429	15.3
105.21987	0.4
113.02439	17.4
119.03493	8.2
125.02387	0.6
147.77100	0.4
161.04546	1.0
164.87920	0.5
179.05569	2.0
239.22160	0.5
793.43866	25.3
795.46002	0.8
811.44720	9.4
837.45367	3.3
853.45984	100.0
855.47375	1.0
897.46936	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	897.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
65.65608	0.3
71.01377	24.7
72.99306	0.4
73.02934	2.1
83.01359	2.0
85.02934	6.4
87.00861	0.7
89.02438	26.7
92.23156	0.4
95.01367	2.7
99.00850	0.8
101.02429	16.5
109.07682	0.3
113.02437	17.0
119.03484	9.3
126.23958	0.4
127.87952	0.4
131.03522	0.5
143.03452	0.7
149.04659	0.5
161.04543	2.6
179.05573	2.4
202.64597	0.4
709.40405	0.5
793.43854	28.1
811.44800	9.9
853.45917	100.0
897.45276	0.8
931.67957	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
64.15957	1.7
71.01379	40.1
73.02929	9.5
85.02943	3.5
89.02438	100.0
97.47068	1.9
99.00880	26.3
101.02431	40.3
113.02477	13.9
125.02421	3.3
131.03482	15.8
149.04555	36.3
149.99675	2.0
154.36452	1.9
161.04562	2.4
173.08156	2.6
174.94182	2.0
191.05635	19.3
193.05022	2.4
221.06677	4.2
293.08862	9.2
311.09854	53.4
353.10806	9.3
370.86108	2.4
427.43115	2.1
501.17596	3.6
621.22113	2.9
633.21838	10.1
651.22784	10.5
693.23676	7.4
724.02716	2.3
855.29834	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	899.465
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	21.6
73.02930	4.0
75.36230	0.6
83.01392	0.9
85.02937	7.1
87.00903	1.1
89.02431	25.8
92.58919	0.7
95.01373	2.8
100.53600	0.5
101.02435	17.8
113.02444	17.7
119.03482	9.4
124.01617	0.6
130.07951	0.7
143.03441	1.5
157.20782	0.7
161.04559	0.9
168.81703	0.6
255.19470	0.8
261.19449	0.6
306.24384	0.7
385.42816	0.7
430.45508	0.6
568.99738	0.8
795.45508	17.7
813.46527	12.2
839.47937	3.8
855.47479	100.0
899.46149	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	899.4647
Annotation	CHEBI:65622
Peak:m/z	Relative Intensity
62.94523	0.4
71.01378	24.0
73.02947	3.1
83.01385	1.0
85.02946	6.1
89.02438	24.1
92.22475	0.6
95.01376	2.6
99.00864	0.7
101.02435	16.2
108.11629	0.4
110.86457	0.5
113.02440	17.1
119.03481	10.6
123.66380	0.5
124.87555	0.7
131.03465	0.7
143.03574	0.9
276.18625	0.5
298.57983	0.7
314.32813	0.5
337.10089	0.6
398.39563	0.6
511.77814	0.5
795.45056	13.7
813.46759	6.5
855.47351	100.0
899.47095	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	899.4645
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	8.6
72.99290	2.0
73.02933	2.2
75.00867	15.6
83.01378	1.4
85.02946	14.7
87.00881	4.6
87.04566	0.3
89.02435	1.5
91.21471	0.3
95.01360	2.4
99.00879	5.9
101.02435	4.0
112.01620	0.4
113.02441	27.2
115.00341	1.8
116.01160	0.4
117.01923	1.4
125.02444	0.4
127.85917	0.3
129.01926	0.4
131.03497	0.2
131.43405	0.3
157.01355	1.3
159.02971	0.4
161.04498	0.9
175.02478	1.0
181.93668	0.3
188.59709	0.3
206.22571	0.3
267.74448	0.3
270.58087	0.3
399.32642	1.5
473.36319	0.6
475.38120	1.9
483.35712	0.3
813.46393	0.6
855.47559	100.0
899.46356	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	899.4656
Annotation	Unknow
Peak:m/z	Relative Intensity
64.41187	1.5
71.01373	25.8
72.84521	1.5
73.02945	3.0
85.02943	11.0
89.02429	20.9
101.02442	23.7
113.02446	22.3
119.03503	7.4
161.04555	2.2
257.59476	1.9
271.05994	3.0
298.04901	3.3
299.05588	11.0
503.11856	6.2
651.18201	2.3
795.45441	39.4
813.46729	15.8
855.47552	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4651
Annotation	CHEBI:65622
Peak:m/z	Relative Intensity
67.63798	2.6
69.92469	2.3
71.01372	23.7
79.03431	2.8
85.02960	4.0
89.02445	26.0
101.02433	18.4
113.02428	21.9
119.03489	5.2
126.49443	2.8
152.82422	3.3
157.52745	3.3
158.06099	3.0
297.06342	2.6
352.90439	2.8
434.91968	3.0
499.01422	3.1
540.19257	3.2
795.45160	12.3
809.99951	3.8
813.46698	5.8
839.45978	5.9
855.47357	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4653
Annotation	CHEBI:65622
Peak:m/z	Relative Intensity
62.82741	0.3
71.01379	19.3
73.02939	2.0
83.01374	1.8
85.02950	5.9
87.00875	0.5
89.01876	0.7
89.02435	21.3
95.01371	2.3
98.86210	0.4
101.02436	14.5
113.02437	16.8
119.03479	7.8
124.01624	0.4
131.03496	0.5
143.03497	0.6
161.04549	1.4
232.54576	0.4
267.63525	0.4
293.03741	0.4
363.34543	0.4
386.56302	0.4
405.52304	0.4
495.78287	0.4
747.42688	0.5
759.43915	0.5
795.45422	18.7
813.46521	8.9
855.47528	100.0
899.46088	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	899.4649
Annotation	Unknow
Peak:m/z	Relative Intensity
63.39721	0.4
71.01378	20.5
73.02943	4.6
79.29608	0.4
83.01377	2.1
85.02944	6.4
87.00868	2.8
89.02430	18.8
95.01363	1.7
99.00874	2.7
99.75476	0.4
101.02438	19.9
113.02444	12.3
116.46445	0.4
119.03489	7.3
125.02420	2.1
129.01994	0.5
131.03510	7.9
143.03468	3.5
159.02959	1.9
161.04552	17.0
165.01942	0.5
173.49614	0.4
179.05580	5.9
182.06219	0.4
221.06674	14.5
263.07761	2.5
271.06265	0.5
298.04883	0.6
299.05505	1.6
413.30728	0.8
461.02072	0.5
476.49680	0.5
489.35925	2.5
755.77631	0.6
779.47345	0.6
795.45465	2.0
813.46753	2.6
839.47900	8.7
855.47559	100.0
899.47418	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4651
Annotation	CHEBI:65622
Peak:m/z	Relative Intensity
71.01375	29.7
72.57084	4.3
73.08048	4.0
77.41346	4.6
85.02968	8.6
89.02435	11.2
101.02432	30.9
113.02412	18.8
123.38782	3.9
132.24234	4.7
174.07083	5.9
176.13956	4.3
181.78891	5.1
795.45465	39.3
813.46307	21.8
839.47559	31.5
855.47357	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.5018
Annotation	Unknow
Peak:m/z	Relative Intensity
64.89686	0.3
71.01379	20.0
72.99300	0.4
73.02941	4.9
76.33634	0.3
80.17300	0.4
83.01353	1.5
85.02951	4.6
87.00861	0.6
89.02440	24.1
91.08439	0.4
95.01381	1.9
99.00854	0.6
100.50706	0.4
101.01765	0.7
101.02435	16.2
113.02438	17.1
116.79179	0.3
119.03481	8.5
124.01672	0.5
125.02456	0.4
131.03484	0.5
133.01460	1.8
143.03488	0.5
149.04529	0.6
161.04587	0.7
175.26357	0.4
204.09706	0.4
215.87257	0.4
221.06613	0.6
263.04910	0.4
267.07275	0.4
283.02460	0.8
298.04855	2.3
299.05533	0.7
358.63791	0.4
512.67877	0.4
542.86462	0.4
553.94037	0.4
633.40106	3.9
647.17804	0.4
740.97845	0.4
779.45947	9.9
797.47070	5.0
839.48035	100.0
855.47644	4.6
899.38348	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02930	0.5
101.32523	0.6
101.47356	0.5
109.02954	0.7
113.48722	0.5
118.94047	0.5
121.02921	5.1
160.01648	0.8
160.75838	0.5
163.03987	0.5
165.01924	23.9
175.03912	0.9
193.01363	5.6
193.05014	0.7
193.47005	0.6
269.04797	0.6
271.02386	4.8
285.03940	0.8
287.05582	1.8
298.04813	2.1
299.01987	34.5
299.05215	1.7
300.02707	8.3
314.04352	100.0
315.05136	81.6
357.05774	0.9
477.10452	0.8
519.11475	62.6
551.31573	0.5
653.15173	29.7
857.21765	16.6
857.47687	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4794
Annotation	Torvoside H
Peak:m/z	Relative Intensity
66.30865	0.4
70.05220	0.4
71.01380	22.2
73.02940	7.8
73.58907	0.4
75.73244	0.4
83.01398	3.9
85.02943	7.9
87.00870	2.0
89.02436	18.6
95.01358	2.4
99.00869	1.0
99.04509	2.1
101.02439	25.1
103.00360	6.6
113.02445	18.4
119.03489	6.9
125.02407	2.7
129.01891	0.6
131.03481	0.7
143.03442	0.9
159.03012	0.7
161.04568	3.0
165.12807	4.0
166.33430	0.5
175.03981	0.8
179.05716	0.4
183.13940	0.8
415.32498	0.5
423.22562	0.7
468.29181	0.6
477.23477	10.4
489.35471	0.7
491.37408	3.5
596.91205	0.6
598.61871	0.5
721.07544	0.5
721.21948	0.5
797.47131	13.0
815.48322	6.8
841.48138	0.6
857.49091	100.0
899.04456	0.5
901.24365	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	901.4809
Annotation	Unknow
Peak:m/z	Relative Intensity
66.78790	0.8
67.62109	0.9
71.01376	17.2
73.02949	7.3
81.69910	0.9
83.01384	1.4
85.02948	9.1
87.00906	1.5
88.98805	4.7
89.02442	16.8
92.22514	1.1
95.01398	1.3
99.00853	1.5
99.04490	1.4
101.02441	17.9
113.02449	16.7
119.03480	7.3
125.02396	1.5
134.73299	0.9
161.04567	1.9
175.03990	1.5
193.05098	1.7
244.92474	1.5
298.04785	2.3
299.05515	1.2
310.30804	1.1
407.19025	1.6
475.34811	1.2
477.19620	1.3
642.65387	1.5
728.37946	1.3
739.19458	1.9
797.46912	18.2
815.47870	5.9
857.49011	100.0
901.35199	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	901.4811
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	6.7
82.49741	0.6
85.02968	0.9
89.02428	6.6
96.00026	0.7
97.02929	0.7
101.02437	6.6
111.08131	0.8
113.02434	4.0
119.03460	1.7
125.02436	2.4
126.69951	0.7
161.04630	1.6
165.12851	5.2
171.10251	1.0
180.45525	0.7
183.13902	34.4
188.21683	0.6
195.13939	5.6
196.14635	0.9
209.11771	0.7
221.06653	0.7
223.13451	1.6
227.12823	2.9
253.09462	0.8
275.20190	6.0
293.21268	19.7
901.48163	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	901.4812
Annotation	Unknow
Peak:m/z	Relative Intensity
66.10372	1.6
68.27185	1.5
71.01373	21.1
73.02946	8.7
73.72214	1.4
78.92326	1.5
80.77002	1.5
83.01342	2.6
85.02940	11.7
89.02438	8.9
101.02435	21.6
113.02451	12.7
122.08994	1.9
143.03470	2.3
155.52278	1.9
161.04579	2.8
185.01553	1.7
189.12793	1.8
376.69672	2.0
386.28079	1.9
410.71500	2.0
444.73416	1.9
768.15363	2.1
797.46655	7.3
799.44476	2.5
815.46295	3.0
841.46027	17.7
857.49030	100.0
901.48090	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	901.4812
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	10.6
73.02917	1.3
83.10573	1.1
85.02926	1.6
85.84190	1.3
89.02421	6.4
93.71471	1.0
101.02419	7.0
113.02435	6.1
119.03505	1.5
161.15141	1.2
182.19962	1.1
209.39610	1.5
211.32335	1.1
370.92331	1.2
386.06680	1.2
799.45270	2.7
841.45923	38.5
857.49127	6.3
901.48163	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	901.4809
Annotation	Unknow
Peak:m/z	Relative Intensity
66.78790	0.8
67.62109	0.9
71.01376	17.2
73.02949	7.3
81.69910	0.9
83.01384	1.4
85.02948	9.1
87.00906	1.5
88.98805	4.7
89.02442	16.8
92.22514	1.1
95.01398	1.3
99.00853	1.5
99.04490	1.4
101.02441	17.9
113.02449	16.7
119.03480	7.3
125.02396	1.5
134.73299	0.9
161.04567	1.9
175.03990	1.5
193.05098	1.7
244.92474	1.5
298.04785	2.3
299.05515	1.2
310.30804	1.1
407.19025	1.6
475.34811	1.2
477.19620	1.3
642.65387	1.5
728.37946	1.3
739.19458	1.9
797.46912	18.2
815.47870	5.9
857.49011	100.0
901.35199	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	901.532
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03468	0.5
71.01369	5.4
75.41003	0.3
75.73971	0.4
83.01396	0.5
85.02973	1.3
87.00928	0.4
89.02432	5.9
92.22488	0.5
95.01357	0.5
101.02441	4.7
111.08163	0.7
113.02435	2.7
119.03503	0.9
165.12852	10.4
183.13902	67.0
197.15468	18.9
207.14026	0.9
209.11816	2.0
225.14941	1.8
227.12901	3.7
512.44910	0.4
901.53345	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.4451
Annotation	Unknow
Peak:m/z	Relative Intensity
63.79999	0.5
65.88211	0.6
71.01389	1.3
73.02956	0.7
85.02942	0.9
92.22408	0.7
99.04508	48.9
101.02431	9.8
110.14503	0.6
113.02448	1.2
125.02431	23.1
143.03481	2.6
146.45361	0.7
161.04556	4.6
177.99449	0.6
189.59309	0.7
288.82944	0.7
307.17526	7.1
349.18716	13.2
389.21927	1.4
407.22751	1.1
451.21902	100.0
684.66034	0.9
892.40625	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
67.11477	0.5
67.75156	0.4
67.89185	0.5
72.92500	0.5
93.32966	0.6
130.36087	0.5
249.60336	0.5
592.56885	0.6
617.41235	0.6
831.07867	0.9
887.94373	0.6
903.45172	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.4524
Annotation	Bryostatin 1
Peak:m/z	Relative Intensity
79.49130	0.9
80.41394	0.8
83.61514	0.8
85.47401	0.8
134.29195	1.0
135.04393	1.1
138.42839	1.0
141.18660	1.1
165.55841	1.0
528.65784	1.2
583.20874	1.2
746.83124	1.3
788.50153	1.1
867.84698	1.1
903.45197	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
63.51213	2.6
63.74496	2.3
78.53305	2.7
79.30903	2.8
375.78943	3.1
513.10284	3.9
753.31342	3.3
903.45227	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.4971
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	11.7
72.99290	1.0
73.02937	2.2
85.02947	5.5
87.04494	7.0
89.02435	16.6
95.23060	0.8
101.02433	14.6
103.26672	0.9
113.02431	9.7
115.07630	1.0
119.03519	6.7
125.06057	1.2
159.10262	11.5
374.87863	1.0
440.16794	1.1
507.36816	1.3
621.40002	10.6
780.56445	1.1
783.45520	17.8
843.47504	100.0
903.50049	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	903.4969
Annotation	Unknow
Peak:m/z	Relative Intensity
70.12001	0.6
70.18777	0.6
71.01393	5.7
72.28540	0.8
73.02949	0.9
79.20638	0.6
80.96490	0.8
87.00862	0.7
89.02428	6.6
89.14378	0.7
91.52238	0.7
100.79937	0.8
101.02430	7.5
113.02429	4.4
119.03493	1.1
120.52074	0.6
125.02405	0.7
131.03455	1.2
143.03459	1.0
161.04559	1.1
165.12822	4.3
183.13911	29.7
195.13936	10.4
221.06706	0.8
225.00633	0.8
227.12892	1.7
235.08293	0.7
250.37373	0.7
253.09377	0.9
277.21747	10.5
295.22827	38.6
903.49640	100.0
923.43365	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.5482
Annotation	Unknow
Peak:m/z	Relative Intensity
65.83205	0.4
71.01382	5.4
74.22408	0.5
85.02933	0.6
89.02441	5.2
97.06582	0.5
101.02454	4.2
111.08134	4.4
113.02425	1.9
118.30592	0.4
119.03457	1.1
121.72167	0.4
122.00729	0.4
133.04243	0.5
150.12999	0.5
165.12843	33.0
181.12317	2.5
183.13907	44.5
191.10745	2.0
197.15504	9.6
207.13808	0.8
209.11862	5.8
224.81889	0.5
227.12842	3.7
490.18704	0.5
509.55734	0.5
547.13031	0.5
557.27997	0.5
599.27301	0.6
637.63953	0.5
652.06409	0.6
903.54865	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
69.10883	0.5
71.01381	1.1
71.05016	0.6
72.99316	1.2
73.02951	1.2
75.00866	10.1
81.03463	0.9
86.04205	0.6
87.00865	0.9
89.02403	0.5
99.00874	5.6
99.04527	5.5
99.05070	0.5
111.92472	0.5
118.41968	0.5
119.05018	21.0
140.20270	0.6
143.03529	9.1
145.02956	0.6
157.88863	0.6
161.04544	10.9
163.01984	0.8
163.04007	64.7
179.05615	100.0
255.03049	0.7
284.03284	11.0
285.04245	1.0
325.09314	98.8
436.08087	0.6
535.43512	0.7
579.13611	11.6
687.73950	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
63.92435	0.5
82.95634	0.5
89.81075	0.6
90.97843	0.5
120.85863	0.6
206.40945	0.7
245.38860	0.6
905.46759	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4848
Annotation	Unknow
Peak:m/z	Relative Intensity
66.20380	6.2
71.01364	35.5
72.12892	7.3
72.73232	7.3
82.49465	7.3
83.01375	12.4
85.02909	7.5
89.02460	15.5
101.02409	15.9
120.15290	6.8
140.08891	7.3
142.12910	7.0
867.48077	14.1
909.49146	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4864
Annotation	Unknow
Peak:m/z	Relative Intensity
69.22353	0.5
71.01374	11.5
72.99312	1.0
73.02931	3.2
75.00874	6.1
83.01393	1.1
85.02947	14.5
87.00864	3.2
87.04506	1.1
89.02431	3.5
95.01376	2.0
99.00870	8.2
101.02433	2.8
103.03986	1.0
110.38935	0.5
113.02444	20.1
115.04010	4.5
121.54852	0.5
131.03474	7.3
139.00372	0.7
143.03517	5.6
145.05092	0.9
157.01411	0.9
158.74545	0.5
163.06129	1.1
205.07230	4.2
346.26862	0.6
407.33090	3.8
424.26471	0.5
435.32660	0.9
455.35318	3.3
686.44934	0.7
865.50238	0.7
896.09497	0.6
909.48584	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4862
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	10.0
73.02941	2.8
75.00865	7.1
83.01365	0.9
84.87381	0.5
85.02941	13.9
87.00867	2.4
87.04507	1.0
89.02428	3.3
95.01373	2.3
99.00868	7.2
101.02428	2.9
103.03967	0.6
113.02439	17.5
115.04021	4.4
131.03482	6.4
139.00427	0.6
143.03503	6.1
157.01372	1.1
159.00931	0.5
203.67459	0.5
205.07135	2.8
323.99066	0.6
356.73862	0.6
376.06448	0.5
387.23386	0.5
398.75906	0.6
407.33084	3.6
435.32605	0.6
455.35300	2.7
458.72501	0.6
473.43445	0.5
909.48584	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.4815
Annotation	Unknow
Peak:m/z	Relative Intensity
85.14528	1.4
95.65862	1.3
106.92051	1.4
110.59695	1.3
120.74583	1.8
121.87223	1.4
140.56125	1.3
176.40125	1.5
236.16020	1.4
546.78882	1.6
850.39233	1.7
867.47632	7.0
910.48169	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.4817
Annotation	Unknow
Peak:m/z	Relative Intensity
81.72700	1.0
92.23136	1.0
99.57378	1.0
101.50708	1.1
104.00204	1.1
117.57691	1.1
121.54433	1.2
162.38251	1.3
201.30911	1.1
455.79523	1.4
867.47595	9.3
910.48035	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.4294
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99823	0.3
71.01010	0.6
71.01380	11.9
72.99300	2.0
73.02940	4.8
75.00865	12.1
81.03439	0.3
83.01376	1.7
85.02942	11.0
86.61517	0.3
87.00845	3.3
89.02430	4.1
95.01360	1.3
97.02934	1.3
99.00868	5.6
101.02442	5.7
103.00372	0.4
110.23547	0.4
111.00850	0.7
113.02438	19.5
115.00343	2.3
117.01958	0.3
119.03483	0.4
125.02444	0.6
129.01930	0.4
130.64874	0.3
131.03499	5.5
149.04512	0.4
155.03430	0.4
157.01376	0.5
167.40782	0.4
173.04556	6.5
175.02444	0.6
191.05630	3.1
193.03497	0.4
235.04494	0.7
298.04904	1.3
398.88596	0.5
825.42657	0.7
867.43933	100.0
893.36993	0.4
911.42957	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	911.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
70.70838	2.0
71.01383	12.5
71.56201	1.8
71.79320	1.8
73.02963	3.0
85.02957	2.8
89.02448	13.7
96.96001	100.0
97.02950	2.5
101.02439	13.7
113.02401	14.9
117.31405	2.4
119.03439	4.9
149.96581	2.1
154.04520	1.9
155.15337	2.0
155.68456	2.0
184.08232	2.1
194.89003	2.3
246.69238	2.1
316.47253	2.4
545.27936	2.6
607.18915	2.7
807.41754	15.7
825.42908	5.0
867.43921	91.1
911.43604	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	911.4653
Annotation	Unknow
Peak:m/z	Relative Intensity
65.19750	0.8
71.01377	25.5
73.02945	29.1
73.03353	1.3
83.01391	4.4
85.02939	4.3
86.75307	0.9
89.02431	18.2
95.01357	1.2
101.02434	30.0
104.18935	1.0
113.02438	17.7
119.03481	5.0
121.02956	2.2
125.02407	1.3
131.03487	1.8
135.04518	1.0
143.03535	1.4
149.04602	1.4
161.04579	5.8
179.05609	2.4
202.66019	1.2
286.08673	1.7
299.05542	2.1
301.10886	14.2
301.96964	1.4
392.10031	1.1
438.69455	1.2
463.16132	6.3
629.36951	6.8
671.38318	1.4
791.42004	13.6
809.43756	7.3
851.44403	100.0
867.44257	6.4
911.31665	1.3
911.47498	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	911.4654
Annotation	Unknow
Peak:m/z	Relative Intensity
67.51414	4.1
67.61232	3.7
71.01382	7.4
85.09175	4.3
85.37740	4.0
89.02459	5.7
113.02423	18.6
207.45045	4.1
357.46219	4.6
541.07971	5.4
733.78259	5.0
765.44568	8.9
807.45410	54.8
825.46387	40.3
867.47705	100.0
911.49170	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	911.4649
Annotation	Unknow
Peak:m/z	Relative Intensity
70.24796	2.8
71.01379	19.6
73.02932	4.7
76.67538	2.8
85.02944	6.7
89.02451	5.5
101.02443	13.6
113.02448	14.5
116.30382	3.4
119.03524	2.8
136.26871	2.9
163.59749	3.1
182.92065	3.3
329.23260	3.3
508.04303	3.6
677.88220	3.5
807.46143	33.5
825.47162	33.6
867.47528	100.0
911.48438	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	911.4652
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	15.8
73.02935	3.8
75.00848	0.9
75.04645	0.5
83.01370	1.6
85.02947	5.8
88.21413	0.6
89.02441	11.9
95.01381	1.3
97.37582	0.6
99.00910	1.1
101.02443	10.0
113.02416	9.1
119.03494	4.8
141.01682	0.8
143.03513	1.3
159.02908	0.8
161.04517	3.7
179.05644	2.6
807.45892	11.4
825.46552	15.8
867.47510	100.0
911.48877	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	911.4653
Annotation	Unknow
Peak:m/z	Relative Intensity
69.22684	0.3
71.01375	15.0
72.41905	0.3
73.02950	2.8
77.76997	0.3
83.01392	1.9
85.02950	5.2
85.51748	0.3
87.00877	0.5
89.02440	11.5
92.22530	0.7
95.01375	0.5
99.00892	1.5
101.02434	11.8
103.52190	0.4
107.95415	0.3
113.02437	8.0
119.03483	4.2
131.03485	0.6
141.76996	0.4
143.03458	0.5
151.80334	0.4
161.04539	3.4
179.05606	3.1
198.23235	0.3
202.83185	0.4
238.54851	0.4
509.48297	0.4
520.83472	0.4
674.24445	0.5
736.88104	0.5
747.42548	0.4
765.44623	2.2
807.45386	13.2
825.46454	15.8
867.47577	100.0
868.49194	0.5
911.48871	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	911.4652
Annotation	Unknow
Peak:m/z	Relative Intensity
69.16853	1.0
69.31996	1.0
70.22154	1.1
71.01371	12.0
73.02937	2.0
73.78885	0.9
83.01381	2.1
85.02928	5.3
89.00086	1.2
89.02435	13.0
90.94632	1.1
95.01384	1.2
101.02453	13.3
113.02411	8.8
119.03470	6.3
143.03499	1.2
154.18098	1.0
161.04485	1.7
166.30394	1.1
179.05707	1.1
216.72127	1.3
244.51498	1.2
748.57959	1.6
765.43445	1.8
807.44983	11.5
825.46692	14.5
867.47601	100.0
911.49390	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	911.5022
Annotation	Soyasaponin II
Peak:m/z	Relative Intensity
70.46740	1.0
71.01378	10.6
73.02921	1.8
75.00866	8.2
77.16537	1.1
79.31626	1.1
84.40308	1.4
85.02948	15.7
87.00896	1.8
89.02422	2.9
95.01365	1.5
99.00873	8.7
101.02431	1.9
103.03983	1.4
104.19489	1.3
112.01638	1.5
113.02448	22.1
115.04011	2.2
127.81142	1.3
131.03517	6.6
142.36794	1.4
143.03473	6.0
174.65520	1.2
174.90103	1.2
205.07173	2.4
220.98570	1.4
239.88519	1.3
280.94620	1.5
340.91132	1.5
525.97821	1.4
601.67139	1.4
911.50220	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.5015
Annotation	Unknow
Peak:m/z	Relative Intensity
63.66835	0.3
69.19363	0.3
71.01377	13.6
73.02950	4.1
75.00865	6.9
83.01389	1.5
85.02947	13.4
87.00886	3.4
87.04497	2.1
87.56728	0.4
89.02438	6.5
95.01382	0.9
99.00882	7.6
100.45825	0.4
101.02430	5.0
103.04013	2.6
112.01646	0.6
113.01641	0.7
113.02444	14.6
115.04005	7.0
119.03504	0.6
131.03499	10.0
139.00412	0.9
143.03490	8.4
145.05034	1.7
157.01407	2.1
163.06070	1.6
179.97719	0.5
205.07214	5.2
214.28818	0.4
269.63199	0.4
282.03830	0.5
326.04599	0.5
349.52908	0.4
362.99051	0.4
457.36905	1.4
485.82254	0.4
623.20020	0.4
648.53564	0.4
807.45679	1.8
825.47241	0.5
851.45099	0.8
867.47644	15.0
911.50208	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.5024
Annotation	Unknow
Peak:m/z	Relative Intensity
69.92065	0.7
71.01382	10.7
71.01955	0.7
73.02942	1.3
85.02930	1.5
89.02441	7.6
101.02451	8.1
103.74332	0.8
112.14170	0.9
113.02422	3.7
116.08057	0.8
119.03473	1.2
132.93983	0.9
138.46107	0.9
179.05666	1.5
362.57574	1.0
432.01651	0.9
518.74323	0.9
589.23297	0.9
641.78864	1.0
644.15253	1.1
694.75470	0.9
700.26837	1.0
791.46155	6.4
809.47339	12.3
851.48029	63.5
877.33557	0.9
911.50244	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.5024
Annotation	Unknow
Peak:m/z	Relative Intensity
74.26269	3.1
161.88916	3.1
204.58481	3.7
226.30894	3.7
319.37320	4.0
666.71582	4.0
911.50201	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.6251
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	4.3
73.02942	1.3
74.93794	0.3
76.31411	0.3
79.28276	0.3
83.05052	0.3
85.02953	1.7
85.35507	0.3
89.02434	4.3
101.02440	2.0
113.02457	4.6
119.03515	0.8
161.04562	0.7
179.05666	0.7
193.67596	0.3
273.22278	0.5
277.21747	100.0
291.23468	2.4
291.26202	0.4
319.22946	0.6
519.86731	0.4
626.44415	0.4
633.40143	12.2
651.41113	8.7
911.62744	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	911.7139
Annotation	Unknow
Peak:m/z	Relative Intensity
66.38959	0.1
73.07811	0.1
78.48163	0.1
219.25826	0.2
241.35057	0.1
302.20905	0.2
308.72348	0.1
342.58490	0.2
371.99704	0.1
393.31799	0.2
409.34833	3.0
437.34116	0.2
455.35358	100.0
458.29489	0.1
524.82404	0.1
729.73230	0.2
911.71997	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	2.4
79.54594	1.1
85.02927	1.5
89.02452	2.4
95.18467	1.0
101.02422	2.5
103.00403	1.2
113.02466	2.3
117.03458	6.7
119.03480	1.5
134.03740	94.5
136.01627	5.0
149.06078	13.5
149.79625	1.1
151.03989	10.7
160.01659	7.0
175.04007	11.2
178.02763	8.0
193.05066	100.0
238.90552	1.2
357.13519	5.4
598.50092	1.5
633.21979	1.3
647.66522	1.2
675.23218	5.1
699.39471	1.2
809.45660	1.6
853.45886	6.0
869.28900	71.0
869.46948	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	913.4436
Annotation	Unknow
Peak:m/z	Relative Intensity
68.41846	0.5
71.01381	26.2
72.99306	0.9
73.02943	7.1
83.01381	1.2
85.02943	8.6
87.00895	0.8
87.55007	0.5
89.02439	29.0
95.01378	2.7
99.00871	0.6
101.02441	22.7
113.02444	19.5
119.03505	9.7
125.02509	0.8
138.05884	0.6
143.03528	1.0
179.05629	1.3
179.79396	0.6
315.12213	0.6
455.31754	0.7
793.43939	4.2
809.43274	12.3
811.44666	2.4
827.44482	4.6
853.45941	19.7
869.45496	100.0
874.57642	0.8
891.27307	0.6
913.44696	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	913.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99813	0.4
69.03455	0.3
71.01006	0.4
71.01377	8.1
72.99290	1.7
73.02934	1.3
75.00864	16.0
78.21719	0.3
83.01395	0.6
85.02942	8.9
87.00884	3.6
89.02406	2.4
95.01360	1.9
96.96011	0.8
97.02913	0.4
99.00877	8.9
101.02468	3.7
103.00382	0.4
111.00912	0.5
112.01653	0.5
113.02437	20.7
115.00337	1.6
117.01942	0.6
119.03453	0.4
125.02403	0.5
129.01930	0.4
131.03482	1.4
149.04575	0.4
157.01431	1.7
173.04536	2.9
175.02510	2.0
175.03900	0.4
286.24460	0.4
298.05066	0.5
299.05823	0.4
331.95370	0.3
413.30505	1.4
487.34296	0.6
488.70856	0.4
489.35751	2.1
809.43219	1.2
827.44586	3.3
853.45544	0.4
869.45459	100.0
913.43103	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	913.4435
Annotation	Unknow
Peak:m/z	Relative Intensity
63.88420	0.2
66.91141	0.2
68.99826	0.3
69.03434	0.4
71.01376	10.6
72.99290	2.4
73.02944	2.1
75.00864	16.4
76.63504	0.2
81.03442	0.2
83.01395	1.6
85.02944	13.9
87.00864	4.5
89.02431	3.0
90.51609	0.2
95.01382	2.1
97.02919	0.9
99.00868	7.1
101.02430	4.1
103.00365	0.9
111.00890	2.1
113.02439	24.3
115.00363	1.7
116.01099	0.4
117.01894	1.6
119.03463	0.3
125.02400	0.3
131.03496	2.0
143.03549	0.3
144.04294	0.2
149.04655	0.2
155.03479	0.3
157.01414	1.2
157.42030	0.2
161.04527	0.2
173.04538	5.0
175.02467	1.3
191.05591	1.8
235.04578	0.5
413.30634	1.5
473.32602	0.4
487.34174	0.5
489.35803	3.0
491.88168	0.3
715.22015	0.2
751.43842	0.3
786.60083	0.3
796.10114	0.3
827.44751	0.3
869.45471	100.0
913.44543	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	913.4433
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	63.9
73.02940	6.9
83.01381	4.6
83.74506	1.3
85.02953	14.9
87.00875	4.2
88.62447	1.0
89.02435	57.4
95.01378	6.4
97.70123	1.1
99.00867	2.5
101.02435	48.3
102.02731	1.0
113.02441	34.1
119.03475	21.1
131.03441	1.3
143.03517	1.8
161.04543	5.8
179.05618	2.1
214.25638	1.3
262.74689	1.3
263.16611	1.5
300.82843	1.2
340.56985	1.2
425.21796	1.8
467.22745	2.6
515.25183	1.4
617.13733	1.4
663.97308	1.3
791.42261	10.8
793.43738	16.3
809.43396	17.8
811.44574	7.2
827.43781	2.6
851.44391	68.6
853.45935	97.2
869.45349	100.0
913.45056	16.4
928.85724	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	913.4448
Annotation	Unknow
Peak:m/z	Relative Intensity
63.69396	0.6
67.45496	0.7
71.01008	1.2
71.01375	20.5
73.02935	8.4
73.78137	0.7
83.01392	1.7
85.02943	6.1
87.00858	3.2
89.02435	24.8
95.01385	1.0
99.00869	1.3
101.02440	26.1
106.60670	0.8
113.02435	16.6
119.03479	13.2
131.03484	1.1
143.03484	1.0
145.02924	3.7
148.75011	0.8
161.04523	1.2
161.05989	1.0
163.03983	4.2
179.05594	1.7
205.05121	1.3
219.50301	0.8
246.23425	0.8
413.21976	1.7
449.30597	3.7
628.36646	3.9
629.37311	1.1
809.43341	11.5
827.44531	9.3
869.29199	7.3
869.45355	100.0
913.46246	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	913.4607
Annotation	Unknow
Peak:m/z	Relative Intensity
66.24971	0.7
71.01363	0.9
72.95300	0.7
85.11768	0.7
86.39772	0.7
92.95724	0.7
101.02422	1.0
124.47597	0.7
133.03046	1.0
133.23392	0.7
134.03732	8.1
149.06084	1.7
152.88107	0.8
160.01653	18.7
161.02466	1.0
175.03999	77.4
191.07135	3.1
193.05074	22.2
207.06673	1.0
235.06114	11.8
239.37035	0.9
241.99950	0.8
265.07047	1.2
283.02557	1.2
295.08194	1.4
298.04965	1.8
794.41846	1.5
809.45111	11.8
869.46973	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.4814
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	23.2
73.02943	4.1
85.02937	7.0
89.02437	26.9
95.01383	3.4
100.50359	0.5
101.02431	15.9
113.02435	16.9
115.48949	0.5
116.92830	4.8
119.03488	9.0
143.03494	0.9
161.04521	1.3
171.85519	0.6
179.05635	0.8
218.85045	0.5
298.04852	0.8
348.46713	0.6
620.82642	0.6
622.96594	0.6
745.95947	0.6
793.44031	19.6
809.43823	0.7
811.45306	6.0
853.45905	100.0
869.45490	7.2
913.42352	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.4809
Annotation	Unknow
Peak:m/z	Relative Intensity
66.28297	0.3
66.66842	0.3
71.01377	18.6
73.02940	4.4
76.25130	0.3
78.42299	0.3
83.01379	1.4
85.02946	5.5
85.93230	0.3
87.00866	1.4
89.02437	21.3
95.01371	1.8
97.02966	0.3
99.00859	0.6
101.01773	0.5
101.02438	14.9
113.01651	0.5
113.02441	13.6
119.03487	8.4
131.03448	0.8
134.03792	2.3
143.03526	0.6
161.04565	1.4
175.51172	0.3
179.05611	1.4
193.05051	0.8
521.47711	0.4
793.43890	17.9
811.45020	6.2
839.40210	0.7
840.40985	1.6
841.41504	0.7
853.45978	100.0
869.30164	0.9
869.45532	2.0
897.48267	0.6
899.50195	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
64.62661	1.1
71.01379	17.2
73.02959	1.4
73.70781	1.4
85.02918	1.4
89.02428	26.0
101.02443	17.1
113.02415	8.4
119.03481	5.9
119.79376	1.3
131.03526	5.9
143.03494	1.7
161.04529	2.9
167.64090	1.3
177.79123	1.3
179.05644	2.8
221.06641	10.6
356.15833	1.4
608.94440	1.4
681.45166	2.2
687.94250	1.9
853.45996	100.0
914.50958	1.8
931.71722	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	913.5174
Annotation	Unknow
Peak:m/z	Relative Intensity
64.73376	0.9
71.01366	6.8
83.01293	1.0
85.02922	2.5
89.02431	4.1
92.23074	1.1
101.02425	4.9
113.02441	2.1
149.13304	1.0
156.18137	1.1
161.04539	1.1
215.78874	1.0
272.23297	1.0
297.31506	1.2
533.74939	1.2
751.46393	1.3
793.47626	11.3
811.48492	15.7
853.49622	76.2
913.51727	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
75.19466	0.4
86.49210	0.4
92.23210	0.7
93.03454	1.0
113.64177	0.5
162.47903	0.4
164.04823	2.1
165.01913	19.0
190.02751	6.5
191.03493	0.9
205.05084	14.8
223.06178	2.0
240.04243	3.9
243.06636	0.7
255.02994	2.0
255.06624	0.7
256.03839	1.0
271.03217	1.0
271.06140	22.8
283.02518	17.9
284.03302	15.1
297.03870	0.7
298.04840	44.5
299.05634	100.0
313.07086	1.0
367.10336	3.4
412.86487	0.5
503.12027	27.3
539.07825	0.5
667.16815	80.5
709.17969	0.6
871.23505	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	915.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	27.5
73.02947	13.4
78.65534	0.9
83.01377	1.1
85.02942	11.3
87.00855	1.9
89.02437	43.8
92.22905	5.5
93.17751	1.1
95.01399	2.4
99.00893	1.6
101.02441	26.4
113.02445	21.3
119.03515	12.8
131.03522	1.2
149.04449	1.1
179.05702	1.1
191.24989	1.1
199.60451	1.2
299.05438	2.1
413.22043	1.3
795.44763	4.3
811.44745	11.0
829.45490	7.3
853.45148	8.6
854.46454	1.6
855.46808	34.3
871.46918	100.0
915.45972	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	915.4596
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	27.4
73.02930	6.5
81.82670	0.9
83.01380	3.9
85.02950	7.1
89.02441	29.4
92.45675	0.8
95.01361	1.6
99.00880	1.1
101.02442	18.6
111.00837	0.9
113.02444	21.3
119.03499	11.0
131.03462	1.8
134.03714	4.8
143.03476	0.9
149.04628	0.9
149.06129	1.0
149.70222	0.9
193.05048	5.3
299.05560	1.7
342.84998	1.2
479.28049	1.1
483.31149	1.2
487.34464	1.7
811.44525	18.1
829.45795	8.3
855.47772	4.4
871.30988	5.6
871.46844	100.0
915.47430	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	915.4608
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	9.9
72.99318	0.6
73.02937	1.6
75.00462	0.7
75.00869	16.2
78.59718	0.3
83.01395	0.7
85.02944	14.9
87.00877	3.2
87.04494	0.3
89.02420	1.7
95.01382	0.6
97.02948	0.6
99.00860	5.8
101.02424	3.5
103.00365	0.4
113.02438	21.3
115.00369	2.1
117.01942	1.4
125.02402	0.5
129.01903	0.6
147.55716	0.4
154.86243	0.3
159.31238	0.4
161.04504	0.8
165.01944	2.2
173.04494	0.4
175.02466	1.7
205.05124	0.7
271.06119	3.3
283.02417	1.9
284.03217	1.7
298.04868	4.6
299.05646	10.1
300.06061	0.5
382.68686	0.4
415.32175	0.8
475.34241	0.5
489.35995	0.6
491.37524	3.3
503.11688	2.8
667.16797	6.5
871.47021	100.0
915.46149	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	915.4606
Annotation	Unknow
Peak:m/z	Relative Intensity
67.00164	0.2
69.69353	0.2
71.01379	16.2
71.49346	0.2
72.66480	0.3
73.02938	5.2
73.32020	0.3
83.01379	1.2
85.02949	4.7
87.00868	3.3
89.02442	21.0
92.22459	0.5
95.01369	1.5
97.02915	0.5
99.00867	1.7
99.04513	0.4
101.02441	18.3
103.00377	2.0
113.02446	15.0
119.03500	9.5
125.02412	1.4
129.01944	0.3
131.02528	0.4
131.03496	9.0
134.03719	2.5
134.70178	0.3
139.34280	0.3
143.03500	3.5
149.04610	1.0
157.11812	0.3
159.02960	1.6
160.01682	0.4
161.04565	15.3
179.05614	6.9
193.05061	2.5
203.29851	0.3
221.06693	14.2
239.65414	0.3
263.07880	2.0
329.14307	0.5
388.24911	0.4
407.19235	0.4
487.33945	0.4
516.41040	0.3
519.86359	0.3
527.19122	0.4
623.51300	0.4
634.38226	0.3
709.41656	0.5
811.44592	1.6
829.45721	2.5
871.47015	100.0
915.44287	0.4
921.91553	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	27.5
73.02947	13.4
78.65534	0.9
83.01377	1.1
85.02942	11.3
87.00855	1.9
89.02437	43.8
92.22905	5.5
93.17751	1.1
95.01399	2.4
99.00893	1.6
101.02441	26.4
113.02445	21.3
119.03515	12.8
131.03522	1.2
149.04449	1.1
179.05702	1.1
191.24989	1.1
199.60451	1.2
299.05438	2.1
413.22043	1.3
795.44763	4.3
811.44745	11.0
829.45490	7.3
853.45148	8.6
854.46454	1.6
855.46808	34.3
871.46918	100.0
915.45972	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	915.4973
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01002	1.2
71.01376	16.2
73.02940	6.5
83.01396	3.2
85.02958	9.0
87.00847	0.8
88.98811	2.4
89.02425	6.4
95.01382	1.2
97.02331	0.5
97.02940	1.0
99.00884	2.7
101.02439	17.9
111.03830	0.6
113.02444	12.7
119.03459	2.3
125.02441	1.3
128.68877	0.6
131.03470	0.8
159.02945	1.2
161.04570	4.2
167.67465	0.6
169.82124	0.6
227.34380	0.7
253.23201	0.6
355.80881	0.6
362.04532	0.7
489.35681	0.7
520.75818	0.7
619.64606	0.6
670.62091	0.7
813.46973	1.4
855.47559	100.0
879.93176	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4974
Annotation	Unknow
Peak:m/z	Relative Intensity
67.98817	0.9
71.01374	18.1
72.99319	1.0
73.02935	2.3
73.83820	0.9
76.23243	0.8
79.99112	0.7
80.55975	0.9
83.01390	1.1
85.02927	6.8
89.01940	1.4
89.02441	18.5
89.51137	1.0
95.01402	2.0
99.00820	1.0
100.91670	0.9
101.02428	14.1
113.02438	19.7
119.03469	6.4
125.02479	1.0
161.04494	1.2
179.05594	1.4
263.74020	1.3
298.04123	1.0
299.05695	1.7
307.03033	1.0
562.49023	1.1
580.34747	1.1
795.45251	14.6
813.46655	5.0
855.47491	100.0
871.29272	1.5
871.46576	8.4
888.60675	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4973
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03467	1.0
71.01374	25.3
71.01733	1.6
71.21513	0.9
73.02936	9.6
83.01377	5.1
85.02953	12.7
87.00859	1.2
87.04496	1.4
89.02449	8.5
95.01406	3.5
97.02914	2.0
97.25278	1.0
99.00866	6.3
101.02438	29.4
111.00918	1.1
113.02428	22.8
119.03488	2.1
122.85901	1.2
125.02428	1.1
143.03494	2.0
149.52682	1.0
159.02914	1.3
161.04529	8.1
221.06702	1.3
224.83858	1.0
261.06213	1.0
283.58704	1.0
318.77618	1.0
425.26816	1.1
795.45642	16.5
813.46503	100.0
821.32263	1.2
855.47467	58.9
915.49420	3.8
915.80994	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.7455
Annotation	Unknow
Peak:m/z	Relative Intensity
72.76945	0.2
99.16965	0.2
114.07739	0.2
166.99568	0.2
244.10397	0.2
321.83203	0.2
337.21475	0.2
349.68228	0.2
411.36319	2.2
457.36935	100.0
915.74304	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	917.4708
Annotation	Unknow
Peak:m/z	Relative Intensity
63.88291	1.9
78.55751	2.0
78.95917	3.9
83.36411	2.3
89.70409	2.3
122.30038	2.3
158.92505	3.3
169.80763	2.5
187.58157	2.3
295.22870	5.6
445.20050	3.4
459.21991	12.2
473.19849	4.0
474.20981	4.6
486.20486	22.4
488.18561	4.9
489.19052	54.6
501.22952	26.2
516.18073	20.6
518.23059	12.7
527.20758	3.3
533.25397	10.4
544.21436	3.6
545.22217	26.6
547.61737	2.7
562.22491	10.4
577.24225	3.6
589.20746	15.9
621.23602	100.0
917.28693	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	918.5854
Annotation	Unknow
Peak:m/z	Relative Intensity
78.13869	0.8
78.95909	5.8
84.22214	0.8
110.98511	5.1
127.70205	0.9
130.54120	1.0
158.92618	0.8
167.01149	9.6
174.12042	1.0
185.02182	1.7
245.15601	1.0
255.23305	100.0
395.75583	1.0
423.25241	55.5
517.94122	1.0
676.50629	1.1
918.30212	3.9
918.58093	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
93.03468	1.0
100.36777	0.5
165.01904	15.6
165.12808	4.1
183.13887	4.6
209.11876	0.8
227.12831	1.2
240.04362	2.8
253.99319	0.6
255.02997	2.2
255.06766	0.7
256.03738	0.8
262.51257	0.6
265.14435	1.1
269.13852	0.6
271.06128	17.8
283.02484	20.0
284.03271	13.2
293.13913	1.3
298.04840	59.9
299.05621	100.0
371.17081	8.8
443.09937	0.7
461.10989	1.2
495.30148	0.6
503.12061	32.3
671.23492	29.5
689.72375	0.7
731.17743	0.7
767.27606	0.7
863.23572	0.6
875.29797	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	923.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	8.8
73.02952	5.5
83.01395	0.9
85.02933	4.0
89.02419	6.3
93.34422	0.8
95.01333	0.7
101.02445	7.6
113.02443	8.8
119.03497	1.5
149.91823	0.7
156.84351	0.8
161.04576	1.6
177.43233	0.9
193.31575	0.7
196.95227	0.7
202.22815	0.9
255.02994	5.1
256.03934	0.9
269.04584	1.0
283.02499	39.2
283.05627	1.7
284.03317	14.3
298.04843	81.6
299.05621	56.0
409.02289	0.8
503.12027	100.0
563.56110	0.9
759.43256	3.4
777.44360	3.5
819.45349	15.9
837.46399	12.1
879.47589	28.7
891.62207	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
66.48420	0.8
70.54201	0.8
71.01376	15.8
83.01391	1.3
85.02943	2.0
87.00888	0.9
89.02438	31.5
99.04504	4.4
101.02441	14.9
111.04487	1.6
112.27454	0.9
113.02441	11.4
119.03481	10.0
123.08165	0.8
124.05231	1.1
135.11778	5.3
135.34637	0.9
137.02451	0.9
143.55075	1.0
152.01093	1.0
156.85922	0.9
161.09763	1.6
179.05620	6.7
179.10791	38.3
223.09772	48.8
359.16580	1.2
403.16110	100.0
409.48029	1.0
561.07605	1.1
834.39038	1.3
916.39111	1.2
923.27759	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	923.4652
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	29.7
73.02940	19.8
76.59700	1.0
83.01380	4.9
85.02937	12.1
89.02439	17.2
95.01381	1.9
101.02444	27.0
113.02432	21.7
119.03461	7.3
125.02441	1.4
131.03496	1.3
143.03479	1.3
158.20274	1.2
161.04573	6.9
178.18782	1.0
179.05557	1.6
283.02527	15.0
284.03320	6.8
298.04852	34.8
299.05624	24.0
472.76651	1.4
503.12070	44.3
528.40723	1.6
721.30121	1.5
759.43457	12.0
772.26794	1.2
777.44739	10.7
795.45490	1.9
819.45441	66.2
833.93976	1.2
837.46393	39.5
866.45135	1.3
879.47577	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.4639
Annotation	Unknow
Peak:m/z	Relative Intensity
67.31744	0.8
67.47705	0.8
71.01366	10.6
73.02941	2.4
75.00868	7.7
77.94920	1.0
83.01359	1.0
85.02950	14.4
87.00870	2.2
89.02441	5.3
92.22366	1.0
95.01395	1.2
99.00875	9.9
99.60291	0.9
101.02408	2.3
113.02432	20.4
115.03990	4.5
131.03471	6.2
139.00380	1.0
143.03500	6.0
205.07153	3.5
233.07013	1.0
286.73608	1.1
295.98132	1.2
330.81525	1.2
340.81287	1.1
381.38437	1.1
469.33063	2.2
628.08228	1.4
819.45697	1.5
863.47925	1.9
879.47357	2.1
917.65228	1.1
923.46545	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.4658
Annotation	Unknow
Peak:m/z	Relative Intensity
64.93417	1.9
71.01382	37.3
73.02945	22.0
83.01381	7.1
85.02959	11.6
87.00802	2.2
89.02436	21.9
95.01422	2.3
99.00897	1.9
101.02448	27.1
113.02445	30.2
115.24648	1.7
119.03484	8.6
122.85308	1.9
125.02470	2.4
142.82913	1.8
143.03540	2.3
149.04593	2.2
161.04572	9.0
228.92722	1.7
283.02469	3.0
299.05655	2.9
392.25455	1.8
495.10373	1.9
503.11768	3.0
655.49725	2.0
750.84644	2.3
759.42804	13.3
777.44354	13.9
819.45526	66.9
837.46356	45.4
879.47565	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.4656
Annotation	Unknow
Peak:m/z	Relative Intensity
67.60860	8.4
71.01392	43.0
71.33056	8.5
73.02953	11.9
83.01382	20.9
83.49837	8.3
85.02955	18.0
89.02460	43.8
115.05415	9.6
125.28868	9.9
194.58034	9.2
249.69421	9.7
515.55725	10.6
534.92407	9.8
705.42725	16.9
747.43304	21.2
837.46332	38.3
879.47943	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.4652
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	29.7
73.02940	19.8
76.59700	1.0
83.01380	4.9
85.02937	12.1
89.02439	17.2
95.01381	1.9
101.02444	27.0
113.02432	21.7
119.03461	7.3
125.02441	1.4
131.03496	1.3
143.03479	1.3
158.20274	1.2
161.04573	6.9
178.18782	1.0
179.05557	1.6
283.02527	15.0
284.03320	6.8
298.04852	34.8
299.05624	24.0
472.76651	1.4
503.12070	44.3
528.40723	1.6
721.30121	1.5
759.43457	12.0
772.26794	1.2
777.44739	10.7
795.45490	1.9
819.45441	66.2
833.93976	1.2
837.46393	39.5
866.45135	1.3
879.47577	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.5029
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01370	10.7
73.02938	2.0
75.00866	4.8
83.01379	1.7
83.47743	0.9
85.02942	8.3
87.00916	1.3
89.02434	5.8
90.13582	1.0
99.00866	6.7
101.02428	9.1
103.04005	1.8
105.03285	1.2
113.02422	8.2
115.03976	2.6
122.94841	1.0
131.03491	5.0
143.03503	4.2
145.05028	2.0
161.94753	1.0
205.07169	2.3
298.68112	1.2
352.80902	1.3
430.15784	1.0
437.34210	5.5
443.02182	1.4
507.38318	1.6
923.50189	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.4813
Annotation	Chikusetsusaponin IV
Peak:m/z	Relative Intensity
65.50293	0.5
71.01378	22.8
72.99339	0.5
73.02943	11.3
73.15942	0.5
83.01386	3.7
85.02943	11.8
87.00862	2.1
88.13087	0.5
88.77792	0.5
89.02434	18.0
95.01389	4.7
99.00903	0.5
99.56433	0.5
101.02443	19.1
106.20358	0.6
112.01643	1.0
113.02444	24.7
119.03479	5.9
124.01667	2.1
125.01503	0.5
125.02455	0.8
126.03907	0.5
131.03479	0.8
143.02319	0.6
143.03493	2.2
157.82544	0.6
161.04576	0.7
162.48117	0.6
270.63449	0.6
360.60394	0.6
498.44348	0.6
500.03244	0.6
530.36426	0.6
761.44910	8.4
779.45831	6.1
821.47058	45.8
839.48145	22.8
881.49139	100.0
925.48260	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	925.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	17.6
73.02909	1.3
82.22168	0.8
85.02945	5.4
89.02431	20.6
99.00792	0.8
99.41595	1.0
101.02445	11.1
113.02477	7.9
119.03511	6.7
131.93301	0.9
161.04517	4.0
167.71393	0.8
170.94002	0.9
179.05621	7.4
206.69235	0.9
246.90192	0.8
426.70245	0.9
745.41931	1.3
763.42657	1.2
805.43634	16.5
823.45050	11.3
865.45898	87.9
925.48138	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	17.6
73.02909	1.3
82.22168	0.8
85.02945	5.4
89.02431	20.6
99.00792	0.8
99.41595	1.0
101.02445	11.1
113.02477	7.9
119.03511	6.7
131.93301	0.9
161.04517	4.0
167.71393	0.8
170.94002	0.9
179.05621	7.4
206.69235	0.9
246.90192	0.8
426.70245	0.9
745.41931	1.3
763.42657	1.2
805.43634	16.5
823.45050	11.3
865.45898	87.9
925.48138	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.4811
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03457	0.3
71.01376	10.0
72.99297	0.7
73.02938	3.8
75.00866	6.5
83.01379	1.3
83.19830	0.1
85.02943	16.5
86.00069	0.3
87.00858	2.5
87.04509	1.1
89.02436	4.1
95.01392	2.1
99.00870	8.3
99.01521	0.3
99.04488	0.2
101.02412	2.7
103.03995	1.4
111.00876	0.2
112.01638	1.1
113.02440	17.3
115.00289	0.3
115.04002	4.8
119.03471	0.6
125.02473	0.2
131.02536	0.3
131.03496	7.0
139.00386	1.4
143.03502	6.6
145.05052	1.2
157.01396	1.3
163.06100	1.2
175.81044	0.2
191.05699	0.2
205.07176	3.4
271.32355	0.2
300.02750	0.2
306.59967	0.2
340.54654	0.2
355.26480	0.2
407.29373	0.3
423.32870	2.1
469.33328	0.7
471.34872	3.2
501.75299	0.2
585.38269	0.7
925.48102	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.481
Annotation	Chikusetsusaponin Ib
Peak:m/z	Relative Intensity
71.01373	11.8
73.02930	2.0
75.00858	4.1
78.95903	1.0
85.02943	9.2
85.55566	1.0
87.00870	1.3
89.02444	8.2
95.01382	1.5
96.96058	1.1
99.00883	4.6
101.02414	5.4
103.04021	0.9
105.38790	1.0
111.39342	0.9
112.54407	1.0
113.02425	8.5
115.04001	1.3
119.03493	1.8
131.03476	4.8
143.03505	2.4
145.05101	1.0
157.01401	1.3
205.07204	1.2
424.90152	1.0
444.80197	1.1
457.37189	1.2
805.43854	6.6
823.44928	5.6
865.45953	32.0
881.49634	1.6
925.50055	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.4814
Annotation	Chikusetsusaponin IV
Peak:m/z	Relative Intensity
70.35207	0.8
71.01376	16.9
73.02950	3.7
83.01373	4.1
83.58012	0.9
85.02940	8.4
87.00854	1.2
87.24020	0.8
89.02431	18.2
92.83232	0.9
95.01363	3.9
97.02859	0.8
101.02441	20.2
103.92272	0.9
108.35754	0.8
113.02437	26.4
119.03497	5.9
125.02471	1.5
143.03537	1.5
155.03421	1.2
161.04559	3.7
179.05698	1.2
197.11819	1.4
359.24307	1.0
616.03058	1.0
703.44708	1.1
821.47198	5.0
839.47931	19.0
861.96216	1.1
881.49133	100.0
925.49518	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	925.518
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01879	0.1
68.99818	0.3
71.01382	12.4
72.05699	0.1
72.99300	0.4
73.02945	4.1
75.00867	6.5
78.29613	0.2
80.33397	0.1
83.01384	2.1
85.02948	8.9
87.00866	2.9
87.04510	1.2
89.02444	6.5
92.43827	0.2
95.01387	2.8
96.96004	0.3
97.02967	0.3
99.00880	6.0
99.04555	0.2
101.01775	0.3
101.02444	9.4
103.04005	2.2
103.71930	0.2
105.18222	0.2
112.01675	0.3
113.01644	0.4
113.02447	9.8
115.00323	0.2
115.04009	3.9
119.03510	2.0
125.02404	0.3
129.01988	0.3
131.03519	4.1
139.00430	0.4
143.03513	6.3
145.05049	1.1
157.01454	1.1
157.91689	0.2
159.02928	0.2
161.04517	1.0
163.06128	1.6
181.61119	0.2
205.07202	3.7
222.46747	0.2
226.35376	0.2
439.35947	4.8
458.03503	0.2
459.38928	0.3
509.40027	4.8
511.38623	0.2
599.39636	0.3
631.37598	0.2
779.45758	0.3
795.26971	0.2
865.44861	0.2
907.51349	0.6
925.51825	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.5187
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01371	9.7
72.99287	0.8
73.02933	4.0
75.00881	5.7
77.95364	0.6
83.01380	0.7
85.02946	12.3
87.00874	2.3
89.02443	5.6
95.01366	3.3
99.00865	4.2
101.02446	7.9
103.04010	3.6
112.76065	0.7
113.02451	10.0
115.03989	4.1
119.03512	1.0
127.04017	1.2
130.46478	0.6
131.03520	5.3
139.00446	1.0
143.03465	6.4
157.01457	0.9
161.04475	0.8
163.06129	1.1
205.07140	3.0
269.05209	0.7
304.34616	0.7
409.92657	0.7
425.74121	0.7
439.35834	3.1
509.40213	1.3
865.46521	1.4
925.51691	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
90.70342	0.2
92.56229	0.2
113.55482	0.2
165.01888	1.9
173.91498	0.2
238.74397	0.2
255.03008	2.6
269.04663	0.3
271.06143	1.3
283.02499	41.6
284.03284	2.4
297.03970	0.3
298.04849	100.0
299.05624	11.6
305.91376	0.2
341.06711	1.0
573.64020	0.2
593.15192	0.4
617.15002	0.4
635.16260	67.0
677.17267	16.4
839.22260	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.4973
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01374	6.3
73.02940	0.9
82.11633	0.7
84.99990	0.8
85.02936	3.2
89.02441	5.9
99.79510	0.8
100.07847	0.8
101.02453	6.2
113.02442	3.7
119.03548	1.3
120.13418	0.7
161.04604	1.3
179.05663	1.5
182.51996	0.8
504.97003	0.9
512.39557	0.8
765.44641	1.4
807.45422	6.1
819.76074	0.8
825.46472	8.6
867.47504	47.9
927.49670	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.4967
Annotation	Atracurium
Peak:m/z	Relative Intensity
71.01391	3.8
73.02913	0.9
85.02940	1.2
89.02432	4.7
101.02450	4.4
103.30083	0.5
113.02419	3.2
119.03495	0.7
134.37772	0.5
147.77592	0.5
161.04617	0.8
174.10553	0.7
179.05608	0.7
630.45380	0.7
807.45294	4.7
825.46661	7.2
867.47528	47.7
927.49695	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	927.4965
Annotation	Unknow
Peak:m/z	Relative Intensity
65.13673	0.6
71.01380	9.1
73.02936	3.5
75.00861	6.1
85.02950	14.7
87.00882	2.8
87.75085	0.5
89.02430	3.7
95.01378	1.4
99.00868	8.2
101.02457	2.6
102.91048	0.5
112.01664	0.6
113.02442	19.6
115.03984	4.0
119.03485	0.7
131.03531	7.7
138.49313	0.6
143.03499	6.8
157.01422	1.0
163.06125	0.8
205.07245	3.6
336.03952	0.6
473.36423	2.8
474.40570	0.7
570.71814	0.7
581.06885	0.6
927.49835	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	927.4972
Annotation	Unknow
Peak:m/z	Relative Intensity
70.90060	0.8
71.01373	10.5
75.00867	0.9
78.68958	1.0
83.16640	0.9
85.02946	4.0
89.02440	4.6
99.00875	1.6
101.02424	5.6
113.02438	4.9
119.03501	1.2
134.60789	0.9
140.87477	1.2
158.19704	0.9
161.04587	1.4
412.69461	1.2
747.43652	1.2
765.43787	7.6
807.45459	35.3
825.46490	27.9
867.47565	100.0
897.61664	1.1
927.49725	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	927.497
Annotation	Unknow
Peak:m/z	Relative Intensity
64.96840	1.0
71.01378	4.8
76.96513	1.0
85.02924	1.5
89.02440	8.5
96.08974	1.3
101.02434	6.2
110.33410	1.1
113.02450	1.9
158.62070	1.2
179.05588	1.4
314.72058	1.5
358.61920	1.2
807.45386	7.2
825.47357	10.6
867.47601	57.6
927.49762	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.4961
Annotation	Unknow
Peak:m/z	Relative Intensity
65.84766	1.8
71.01380	15.4
73.02946	2.1
76.62949	2.1
85.02928	3.7
88.80328	2.0
89.02473	6.6
101.02425	12.3
113.02437	9.5
124.77033	1.8
131.03461	2.8
170.44034	2.1
314.00146	2.1
357.35202	2.7
621.63727	2.2
825.48511	9.4
841.48102	17.0
867.47589	36.4
927.31049	3.3
927.49646	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
78.57393	0.2
87.00874	0.3
89.02425	0.3
101.72872	0.3
113.02434	0.3
124.67920	0.3
161.09772	0.4
165.01924	3.4
188.77945	0.3
223.13380	0.5
255.03001	4.3
256.03799	0.5
269.04581	0.5
271.06152	2.1
283.02490	38.8
284.03287	4.9
297.04187	0.6
298.04849	100.0
299.05630	14.9
363.49658	0.3
387.73468	0.3
503.11398	0.4
617.15302	1.3
635.16180	5.6
867.27881	0.6
885.28302	74.0
929.26831	0.4
934.16888	0.3
938.64764	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.44
Annotation	Unknow
Peak:m/z	Relative Intensity
66.82820	0.2
68.99826	0.3
69.03465	0.2
71.01379	9.3
72.99299	1.6
73.02937	5.3
75.00865	12.4
78.89385	0.2
80.48498	0.2
81.03458	0.2
83.01368	1.5
85.02942	9.0
87.00860	4.0
89.02440	3.6
93.39977	0.2
95.01380	1.0
97.02935	1.3
99.00877	5.1
101.02429	5.8
103.00388	0.3
111.00838	0.3
113.02443	17.0
115.00362	1.8
117.01923	1.2
117.09728	0.2
119.03476	0.4
125.02441	0.3
129.01898	0.4
131.03496	5.8
135.81865	0.2
139.00284	0.2
149.04527	0.9
157.01482	0.3
173.04558	6.2
175.02484	0.9
186.50206	0.2
191.05640	3.2
193.03534	0.5
215.05692	0.3
235.04660	0.9
239.92003	0.2
294.88242	0.2
300.00235	0.2
409.01633	0.2
448.78967	0.3
485.33734	0.3
487.34384	0.3
767.42902	0.2
843.44159	0.9
852.54254	0.2
885.44989	100.0
900.91089	0.2
929.44025	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	929.5118
Annotation	Unknow
Peak:m/z	Relative Intensity
65.62880	0.6
65.73350	0.5
71.01374	3.9
71.49184	0.5
73.02943	0.8
76.33270	0.5
83.01373	0.6
85.02935	1.3
89.02434	6.1
94.11175	0.6
97.69073	0.6
98.53596	0.6
101.02436	4.2
113.02434	3.4
119.03490	1.1
154.60530	0.6
179.05557	1.0
220.30673	0.7
267.36639	0.6
316.34628	0.6
446.02530	0.7
450.54306	0.7
504.91843	0.6
553.24579	0.6
605.41125	1.3
809.47540	5.3
827.48523	7.0
869.31781	0.9
869.48987	44.8
929.51221	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.513
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	5.0
71.68549	0.2
72.20334	0.2
73.02935	1.1
83.01398	0.5
85.02972	1.9
85.03446	0.2
89.02438	7.4
99.00884	0.3
101.02443	4.8
106.08396	0.3
106.48148	0.2
109.83808	0.2
113.02428	3.5
119.03508	2.5
130.48549	0.3
131.03508	0.3
148.27652	0.2
161.04520	1.2
179.05589	1.8
201.06322	0.3
269.81412	0.3
529.34882	0.3
605.41101	0.9
616.13336	0.3
767.46198	0.6
809.47089	6.4
827.48151	7.4
869.31433	0.4
869.49176	45.7
929.51288	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.513
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	5.0
71.68549	0.2
72.20334	0.2
73.02935	1.1
83.01398	0.5
85.02972	1.9
85.03446	0.2
89.02438	7.4
99.00884	0.3
101.02443	4.8
106.08396	0.3
106.48148	0.2
109.83808	0.2
113.02428	3.5
119.03508	2.5
130.48549	0.3
131.03508	0.3
148.27652	0.2
161.04520	1.2
179.05589	1.8
201.06322	0.3
269.81412	0.3
529.34882	0.3
605.41101	0.9
616.13336	0.3
767.46198	0.6
809.47089	6.4
827.48151	7.4
869.31433	0.4
869.49176	45.7
929.51288	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.5125
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	3.1
75.18661	1.1
89.02430	5.7
92.23026	1.8
99.51334	2.0
101.02411	2.0
113.02414	2.2
115.18736	1.5
119.03490	2.6
161.36296	1.2
200.16551	1.8
274.92087	1.8
351.37659	1.6
578.89252	1.8
714.65808	1.6
809.46332	5.1
827.47913	7.0
869.49188	47.7
929.51233	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.4698
Annotation	Unknow
Peak:m/z	Relative Intensity
67.36153	1.3
71.01365	1.8
72.27332	1.2
76.57461	1.3
80.94194	1.4
87.70877	1.2
89.02439	1.8
93.12894	1.4
101.02436	2.0
106.72696	1.2
113.02402	1.4
119.03473	1.8
127.68687	1.2
157.66087	1.1
168.76262	1.2
176.60004	1.3
218.16115	1.5
679.55359	1.5
810.46320	2.2
828.48169	5.3
868.47882	2.6
869.48718	6.4
870.48303	51.1
930.50665	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01360	1.4
73.02937	1.4
89.02448	0.8
100.55576	0.4
101.02405	0.6
113.02465	0.7
116.92852	6.4
117.01974	0.7
134.03751	3.6
149.04567	0.6
149.06105	0.7
152.01308	0.3
160.01677	3.0
161.02386	0.6
165.01897	2.5
175.03986	5.1
178.02728	0.6
193.05052	3.4
255.03001	2.2
267.31689	0.3
269.04581	0.5
271.06171	2.0
283.02493	28.9
284.03354	2.8
290.82339	0.4
297.04102	0.5
298.04849	100.0
299.05591	14.3
339.04868	0.4
353.06741	0.4
461.10876	0.7
463.28525	0.4
575.14282	5.3
593.15240	19.0
769.19922	55.9
887.45691	0.6
931.23840	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	931.5286
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	17.3
73.02940	6.9
78.18183	1.2
83.01387	2.8
85.02940	11.0
88.84358	1.1
89.02434	10.4
95.01398	1.3
99.00874	2.0
101.02452	19.6
113.02469	10.6
118.55743	1.1
119.03448	2.8
129.84779	1.4
130.50023	1.3
139.96898	1.1
161.04543	1.5
183.62813	1.2
214.76474	1.2
223.75162	1.2
254.26326	1.2
538.95654	1.4
649.08673	1.3
931.52826	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
68.87961	1.0
84.57932	1.3
121.02969	1.8
129.65453	1.4
165.01907	16.2
193.01407	2.2
253.37001	1.2
271.02444	2.8
284.03235	2.7
298.04697	1.8
299.02005	25.3
299.05319	2.0
300.02673	2.0
314.04373	100.0
315.05127	52.6
350.17294	1.2
519.11633	37.5
687.22852	7.3
891.29584	43.1
935.29974	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	937.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
66.36147	0.6
71.01347	1.0
79.95727	1.4
80.96057	1.0
80.96511	24.2
85.91026	0.7
99.00879	1.0
99.92582	16.7
100.93356	12.1
111.59528	0.8
115.91257	0.9
115.92066	23.2
116.92008	1.9
116.92849	56.5
117.93561	0.9
122.97532	3.3
125.02504	1.0
126.94969	0.8
136.99153	1.2
141.93607	1.0
142.94406	3.5
150.97073	3.0
156.95955	1.5
161.40985	1.0
164.89554	8.9
164.98575	1.8
166.94449	0.8
168.95978	3.5
170.93913	1.3
179.88245	0.8
188.05589	0.9
210.97072	0.8
222.40637	0.8
225.00760	4.5
232.92310	0.9
263.21188	0.8
275.22192	0.8
277.21805	9.5
287.90411	4.1
290.92749	1.0
307.99976	0.8
377.13773	1.1
572.30280	1.0
729.99640	0.9
837.43219	3.2
901.38892	10.1
919.39441	11.8
933.38269	1.1
937.40881	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
68.24622	0.4
71.01375	6.5
72.99284	0.5
73.02930	2.6
75.00858	2.1
83.01404	0.6
85.02940	7.2
87.00866	1.0
89.02429	1.7
90.88665	0.5
92.23073	0.4
95.01392	1.1
99.00871	11.5
101.02425	1.1
103.03977	0.7
107.00845	0.4
112.01597	1.7
113.02437	14.5
115.00343	0.6
115.04000	2.6
129.01871	0.5
131.03455	3.5
133.01479	0.5
139.00369	0.6
143.03479	2.4
157.01425	0.9
158.00523	0.5
187.37523	0.6
205.07161	1.1
391.30054	2.6
421.31308	0.7
435.29135	1.1
439.32162	6.9
465.29858	0.6
481.33502	0.6
483.31073	6.6
500.86707	0.6
553.35535	2.1
565.31763	0.9
579.33551	0.6
597.34479	6.2
641.33252	4.7
729.39081	2.2
789.44751	0.9
875.44629	2.2
937.44464	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.4447
Annotation	Unknow
Peak:m/z	Relative Intensity
67.95792	2.5
71.01378	44.3
73.02942	40.9
83.01403	5.3
85.02956	14.9
89.02425	31.9
92.22487	5.7
95.01346	4.4
96.84823	3.1
101.02441	39.5
112.12378	2.6
113.02452	47.9
119.03487	13.8
125.02487	3.1
131.03482	3.1
143.03427	4.1
149.04536	4.6
161.04515	17.5
191.49214	2.9
203.05635	3.4
298.04626	3.5
299.05420	6.1
305.05582	3.2
426.62604	3.1
463.30469	3.0
499.07568	3.3
729.41962	24.4
747.43091	29.6
789.44446	87.5
807.45502	76.3
849.46399	100.0
850.01971	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	937.5334
Annotation	Unknow
Peak:m/z	Relative Intensity
65.73905	5.4
66.82943	5.7
78.92454	5.2
107.36421	5.6
148.31192	6.4
210.96332	6.6
279.23309	10.5
389.82681	8.1
431.22427	9.8
445.23834	7.6
472.22537	42.5
487.25287	51.6
502.20242	35.9
513.22906	8.1
530.23438	7.2
531.23901	50.8
563.26807	10.7
575.22882	57.6
596.09747	6.8
607.25659	100.0
828.06079	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	939.4592
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	23.3
73.02942	15.7
85.02948	14.0
89.02439	23.2
95.01366	4.8
99.00858	10.2
101.02424	24.8
113.02457	37.4
113.09876	2.3
115.04066	2.5
118.43904	2.0
119.03480	4.0
131.03412	3.0
143.03459	3.5
161.59279	2.2
243.38629	2.7
287.13403	2.5
321.84256	2.4
731.43793	11.7
749.44910	13.5
791.45947	72.1
809.46936	42.0
851.48126	100.0
879.47577	11.5
895.46838	3.3
927.01056	3.1
929.33185	3.3
939.45099	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	939.4603
Annotation	Unknow
Peak:m/z	Relative Intensity
66.87947	0.4
71.01379	25.3
72.20798	0.4
72.99276	0.6
73.02941	18.7
83.01376	3.9
85.02948	10.5
88.84196	0.4
89.02438	21.7
95.01365	3.2
97.86243	0.4
101.02443	21.2
113.02440	24.4
119.03481	7.9
125.02444	1.1
131.03500	0.9
140.20695	0.6
143.03490	1.0
149.04527	0.9
161.04562	3.3
169.69167	0.5
179.05493	0.6
337.11075	0.5
513.44086	0.6
631.38934	0.8
673.40179	0.9
775.42981	12.0
793.43671	6.6
835.44928	55.5
853.45911	25.6
895.47070	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.4818
Annotation	Unknow
Peak:m/z	Relative Intensity
69.00025	0.3
71.01373	16.0
73.02935	2.8
77.41982	0.4
83.01372	1.6
85.02951	4.9
85.47575	0.4
87.00861	0.7
89.02433	19.6
90.27814	0.4
95.01370	2.1
97.02935	0.4
99.00874	0.9
99.04507	9.2
101.02436	19.6
113.02439	16.4
119.03483	9.2
125.02450	6.2
130.26454	0.4
131.03474	0.5
143.03514	2.1
143.18607	0.4
149.04575	0.5
161.04572	2.5
179.05609	1.0
317.05704	0.4
345.80936	0.4
375.23877	0.5
471.33188	0.5
512.79376	0.5
633.38696	2.2
651.39850	6.2
693.40314	4.3
795.43988	18.7
835.43787	0.6
837.45496	3.9
853.48517	0.5
854.89124	0.5
877.47321	0.7
895.47369	1.5
939.48212	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.4969
Annotation	Dehydrosoyasaponin I
Peak:m/z	Relative Intensity
71.01373	11.9
71.60615	0.2
73.02940	3.6
75.00864	6.1
83.01373	1.2
83.03802	0.2
85.02943	14.0
86.00119	0.4
87.00854	3.3
87.04492	1.4
89.02433	6.6
90.87367	0.3
92.23042	0.5
95.01369	3.0
97.02925	0.4
97.08200	0.3
97.09493	0.2
99.00252	0.4
99.00871	8.2
101.02438	8.9
103.04008	2.7
112.01631	0.6
113.02437	13.0
115.03992	5.1
115.05199	0.3
119.03500	3.0
119.04211	0.3
125.02448	0.4
131.03493	5.0
139.00375	1.6
142.56355	0.3
143.03488	6.9
145.05029	1.5
157.01382	1.4
161.04521	0.7
163.06094	1.6
205.07162	3.9
302.91632	0.3
362.61227	0.4
391.30057	0.4
407.33163	2.7
435.32742	0.5
455.35254	1.8
804.02948	0.4
939.49658	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.4972
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	26.0
73.02937	8.0
83.01384	9.8
85.02937	13.3
87.00871	1.5
89.02431	18.5
95.01376	1.8
99.00868	4.4
101.02443	21.5
113.02438	15.7
119.03503	6.8
143.03465	1.3
149.27806	1.1
161.04568	5.5
179.05653	2.1
300.16492	1.3
304.63885	1.1
793.48187	6.1
811.48688	1.6
835.48730	7.2
853.49670	33.3
891.44647	1.4
895.50751	100.0
939.49847	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	939.4974
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04224	0.4
68.14777	0.4
71.01382	9.1
73.02969	4.0
74.36444	0.5
75.00864	6.0
83.01387	0.6
85.02499	0.6
85.02942	15.1
86.00108	0.6
87.00858	2.6
87.04477	0.8
87.68066	0.5
89.02425	3.0
95.01346	1.2
95.70440	0.5
98.70497	0.5
99.00877	7.1
101.02415	3.0
103.03982	0.9
112.01629	1.0
113.02447	17.3
115.03992	4.8
123.88598	0.6
131.03506	8.3
132.43181	0.6
136.76132	0.6
139.00407	0.9
143.03510	7.1
145.05103	0.8
157.01483	0.7
160.61937	0.6
182.82294	0.5
205.07201	4.3
205.08788	0.6
255.41098	0.6
355.68280	0.6
378.53818	0.6
465.33514	0.8
485.36533	0.9
939.49670	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.5826
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95909	2.9
90.30659	0.3
102.90250	0.3
110.98521	4.2
130.06735	0.4
152.99611	1.3
167.01143	10.6
184.87706	0.4
185.02237	2.1
255.23317	100.0
298.88751	0.3
308.60016	0.3
310.62646	0.4
315.83005	0.4
318.14001	0.4
323.59195	0.3
423.25226	55.9
543.99200	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.6425
Annotation	Unknow
Peak:m/z	Relative Intensity
83.15556	0.4
120.24897	0.5
121.36271	0.3
130.08745	0.4
225.16116	1.3
230.17438	0.4
277.08081	0.4
338.24530	0.7
400.91827	0.4
508.08887	0.4
872.19666	0.5
903.66809	0.8
939.64288	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
67.17059	0.4
68.03997	0.4
77.23923	0.4
92.22465	0.8
92.79506	0.5
109.97364	0.5
111.79337	0.4
128.00117	0.4
165.01894	0.8
255.03018	3.2
261.26227	0.5
269.04449	0.7
271.06177	0.8
283.02493	45.8
284.03384	1.9
298.04849	100.0
299.05609	7.9
301.04037	0.5
513.76678	0.5
607.16602	2.2
649.17834	88.8
691.19080	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	941.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
66.71458	0.4
71.01377	1.1
89.08208	0.5
90.32516	0.5
92.88167	0.5
95.62036	0.4
96.45567	0.6
101.02419	2.1
104.73354	0.5
107.15450	0.5
113.02442	1.9
113.92307	0.5
128.73677	0.5
131.55124	0.4
161.04556	0.6
190.06364	2.5
203.07159	0.8
206.73047	0.6
222.05374	2.9
233.79976	0.5
246.49763	0.6
249.13484	4.3
269.08234	0.8
278.09464	0.8
279.06653	2.3
281.08246	0.6
283.06174	1.0
283.09454	1.5
291.14514	3.3
292.07275	0.6
293.08148	1.0
294.09006	7.8
296.10519	2.6
297.07687	8.0
297.11316	3.2
307.09793	2.0
308.10416	4.7
309.07709	28.2
309.11356	25.0
312.10068	40.5
321.11075	0.6
323.09235	7.6
324.10056	49.7
327.12396	100.0
339.12390	71.2
357.13446	9.4
369.13470	2.7
381.13416	6.3
399.14539	1.2
561.19574	1.0
702.09833	0.7
754.76868	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.4749
Annotation	gordonoside K
Peak:m/z	Relative Intensity
68.71347	0.8
69.13572	0.7
71.01377	22.6
71.01733	1.4
73.02937	11.2
83.01384	1.6
85.02938	11.6
87.00835	1.3
89.02428	12.3
91.79191	0.7
95.01373	1.5
101.02427	14.2
113.02430	23.1
115.09753	0.8
119.03500	5.4
130.05972	0.9
150.99759	0.9
158.50575	0.7
161.04596	1.1
162.19208	0.8
343.08337	1.0
547.67401	1.1
581.41644	0.9
777.43921	1.5
795.45636	1.7
837.46588	26.3
855.47876	10.7
897.48590	100.0
941.47754	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	941.4753
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99806	0.7
71.01376	20.6
72.99295	0.9
73.02944	5.6
73.23296	0.6
75.12103	0.5
76.82000	0.6
81.03423	0.9
83.01385	2.6
85.02936	6.0
87.00875	6.3
88.26329	0.6
89.01876	1.1
89.02438	30.8
92.23325	0.7
95.01400	1.1
97.02940	3.8
99.00879	1.3
99.04461	1.3
101.02432	25.1
107.42449	0.6
111.00871	1.1
111.84850	0.6
113.02436	16.4
119.03473	6.2
125.02427	7.2
129.01949	0.8
131.03484	7.6
132.38535	0.8
143.03499	4.1
145.05058	1.3
161.04558	7.4
179.05650	4.4
203.05598	3.6
221.06624	10.0
235.08154	1.0
263.07697	0.9
298.04648	0.7
308.83182	0.6
421.47702	0.7
693.41528	1.0
731.62012	0.7
786.32593	0.7
837.46460	41.4
855.47577	26.1
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	941.4758
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	18.7
73.02937	7.8
80.90453	0.4
83.01378	1.1
85.02943	10.4
87.00867	1.7
89.02436	11.5
92.22509	1.0
95.01377	3.2
97.02955	0.7
99.00850	0.7
101.02432	13.1
101.36973	0.5
112.01650	0.8
113.02439	26.5
119.03484	5.2
121.97147	0.4
124.01642	2.0
125.02436	0.5
126.93365	0.5
143.03488	1.8
146.90720	0.5
152.07382	0.5
155.01222	0.5
161.04526	1.2
184.34251	0.6
186.49023	0.5
229.95323	0.5
274.93063	0.6
410.44232	0.5
644.77972	0.6
777.44202	9.2
795.45575	8.2
813.44989	0.6
837.46429	46.6
853.46942	0.9
855.47534	20.6
897.48566	100.0
919.45959	0.8
941.46362	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	941.4751
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03477	0.3
71.01378	19.1
73.02953	2.8
75.38934	0.4
83.01379	3.0
85.02942	7.9
87.00851	2.2
89.02440	20.6
92.22433	0.6
95.01379	2.2
97.02910	0.5
98.90741	0.4
98.91447	0.5
99.00862	0.7
101.02444	14.0
105.02969	0.3
113.02441	29.4
115.33121	0.3
115.38976	0.3
119.03486	7.5
125.02435	2.5
131.03488	0.5
133.97137	0.3
134.95827	0.4
143.03493	1.8
155.03584	0.5
161.04520	2.4
161.28020	0.4
165.01913	0.4
175.04039	0.5
179.05609	0.7
223.13290	0.5
271.06052	0.5
283.02499	0.8
284.03329	0.7
298.04819	3.7
299.05664	6.2
503.11783	1.6
644.03522	0.4
693.22113	6.4
735.44165	0.4
837.46332	5.1
855.47516	14.2
897.48602	100.0
941.49475	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	941.4755
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	6.4
72.99303	0.4
73.02953	0.3
75.00865	8.9
78.39526	0.3
80.72922	0.4
82.40608	0.3
83.01395	0.6
85.02942	8.0
87.00866	0.4
89.02431	4.9
92.23064	0.4
95.01389	0.9
97.22041	0.3
99.00874	10.3
101.02419	1.5
104.81027	0.4
112.01653	0.6
113.02444	14.3
131.03452	0.5
136.70403	0.3
139.00394	0.6
144.30463	0.4
157.01428	2.7
243.77448	0.4
244.72130	0.4
423.32849	2.5
453.33792	0.4
469.33411	2.5
471.34747	17.4
473.91507	0.4
553.35291	2.1
585.38025	8.5
602.94989	0.4
603.38977	1.7
629.36951	13.1
647.38477	0.5
779.42303	12.4
897.48181	1.6
941.47589	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	941.5124
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99808	0.2
71.01380	11.2
72.99300	0.3
73.02945	4.0
75.00869	5.7
79.59579	0.2
83.01370	1.1
85.02946	10.7
87.00876	3.0
87.04499	0.9
89.02439	6.7
95.01389	2.4
97.02917	0.4
99.00874	6.3
99.04503	0.3
101.02444	9.5
103.04010	1.9
111.00887	0.2
112.01655	0.8
112.27251	0.2
113.02448	11.6
115.00365	0.3
115.04007	4.4
119.03481	2.6
121.02928	0.2
123.45915	0.2
125.02428	0.7
131.03502	4.2
139.00325	1.4
143.03517	5.8
145.05022	0.8
157.01398	1.2
159.02995	0.2
161.04581	0.9
163.06108	1.3
205.07198	3.6
221.06708	0.3
225.31619	0.2
291.32080	0.2
350.40393	0.2
371.15292	0.2
416.35034	0.3
437.34372	0.5
457.36917	1.7
510.10406	0.2
615.39221	0.5
837.46283	0.8
855.49426	0.7
897.48816	3.3
941.51221	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5122
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	10.4
72.99278	0.5
73.02935	2.8
75.00868	5.1
83.01359	1.0
84.19914	0.4
85.02948	11.8
87.00866	3.1
87.04542	0.9
89.02445	5.1
95.01385	2.0
97.02935	0.6
99.00868	8.7
101.02437	8.7
103.03990	2.2
113.02443	13.6
115.03999	4.1
119.03481	1.8
125.02406	0.5
131.03490	4.7
139.00327	0.8
139.32857	0.4
143.03497	6.2
145.05043	0.6
157.01340	0.5
161.04593	0.8
163.06119	1.9
205.07162	4.5
425.34454	3.2
426.19586	0.5
615.39325	0.6
688.79669	0.6
941.51178	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
66.61366	0.7
84.39243	0.8
97.38397	0.8
134.03755	7.9
146.47630	1.0
149.06071	3.1
160.01653	16.2
164.66731	1.0
165.05545	1.6
175.04007	61.9
178.02690	1.3
193.05070	15.9
297.07660	1.3
308.10251	1.0
309.07724	4.4
309.11359	6.3
312.10165	9.3
323.09286	1.2
324.10031	11.9
327.12402	17.2
337.09430	6.7
339.12488	8.4
453.13708	1.0
632.03577	0.9
695.23553	100.0
737.25031	1.3
781.31128	1.9
943.46503	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	943.4899
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99291	4.6
75.00867	100.0
75.62676	0.5
93.78624	0.6
106.68089	0.7
126.62659	0.6
161.83568	0.7
260.71985	0.7
336.42432	0.6
412.06467	0.8
561.30499	0.6
915.17419	0.8
943.49011	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	943.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
66.92676	0.5
69.79947	0.4
71.01376	5.7
72.99298	0.6
73.02956	1.1
76.20821	0.5
82.55863	0.4
83.01379	0.6
85.02946	3.4
89.02445	6.9
99.00864	0.8
101.02441	4.4
105.01712	0.5
113.02445	6.0
119.03488	2.7
132.72958	0.5
161.04599	0.7
165.87323	0.5
179.05574	1.2
239.21730	0.5
246.95859	0.7
267.06561	0.6
312.84796	0.5
823.44867	9.4
841.46161	8.8
883.47076	44.8
927.45990	0.7
943.49182	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4913
Annotation	Unknow
Peak:m/z	Relative Intensity
68.10407	0.3
71.01376	5.9
73.02937	0.3
85.02934	1.5
85.65330	0.3
87.00837	0.5
87.89561	0.4
89.02438	6.7
101.02415	4.4
107.81723	0.3
113.02442	3.1
119.03513	3.1
136.84535	0.3
143.03529	0.4
161.04434	0.4
179.05600	1.6
190.11383	0.4
196.20253	0.4
241.33713	0.4
247.36749	0.4
446.21298	0.4
449.28506	0.4
493.54944	0.4
721.41498	0.5
823.44629	4.0
841.45850	5.3
881.78705	0.4
883.47015	32.6
943.49109	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.5067
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	20.3
71.67860	0.3
73.02940	5.4
78.90740	0.4
81.98626	0.3
83.01385	3.0
85.02943	9.7
87.00877	0.9
87.04488	0.6
89.02433	12.9
91.66796	0.4
92.23087	0.4
95.01363	1.0
99.00862	2.6
101.02428	21.2
106.02146	0.4
113.02440	13.9
117.62254	0.4
119.03510	6.4
131.03477	0.7
143.03513	0.7
149.04596	0.4
159.02956	0.9
161.04552	1.8
161.98048	0.4
167.05556	0.5
214.23737	0.4
489.35974	1.9
783.45642	1.9
803.80927	0.5
885.48322	1.9
945.50696	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.5072
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04137	1.2
71.01370	19.3
73.02946	2.6
83.01410	2.1
85.02924	5.9
87.00860	1.9
89.02442	25.4
95.69035	1.2
99.25486	1.3
101.02431	19.6
101.94473	1.8
113.02447	16.9
119.03490	7.3
131.03519	14.2
143.03477	1.8
160.41089	1.3
161.04546	16.3
179.05566	5.9
207.74516	1.4
218.57997	1.5
221.06685	16.2
243.05600	1.5
264.83215	1.5
374.43906	1.6
394.38516	1.5
402.72119	1.5
432.17377	1.8
488.83487	1.7
489.35947	2.7
692.22675	1.6
945.50751	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	9.6
73.02942	2.2
76.48779	1.5
84.47949	1.6
85.02940	2.3
89.02454	10.1
91.32869	1.6
96.96005	2.1
101.02419	12.8
113.02448	11.6
123.08158	1.7
129.81612	1.4
161.04538	2.7
163.11310	7.9
189.12947	10.1
199.54108	1.3
207.13902	17.5
225.14931	6.0
333.09030	1.8
387.20367	7.6
429.21344	100.0
473.20285	3.2
716.00134	1.6
932.91937	1.6
947.28680	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	947.595
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03456	0.8
71.01376	19.1
73.02934	3.6
83.01387	2.7
85.02941	4.3
87.00874	3.9
89.02435	27.5
95.01379	0.8
97.02955	3.7
99.00916	0.8
101.02439	20.4
111.04448	0.6
113.02439	9.6
113.09716	8.5
119.03492	7.6
125.02419	7.2
131.03519	0.6
133.05104	0.9
139.40526	0.5
140.85669	0.5
143.03510	3.4
144.38927	0.5
153.52931	0.5
158.80670	0.6
161.04561	2.7
167.10783	0.7
171.10327	0.9
179.05603	2.0
179.10774	2.0
181.70375	0.5
195.13887	1.1
214.25755	0.6
221.06732	2.5
221.15503	0.6
235.08270	7.3
249.22258	2.6
253.09274	0.6
255.23305	81.4
275.20169	0.9
292.33505	0.6
293.21240	62.9
305.08829	1.1
345.41483	0.7
397.13535	78.2
404.67712	0.6
415.14633	17.4
630.11462	0.7
653.37640	100.0
688.90314	0.7
739.06073	0.6
951.83179	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.6026
Annotation	Unknow
Peak:m/z	Relative Intensity
69.08507	0.4
75.28671	0.3
111.27622	0.4
161.40358	0.4
165.01909	0.7
271.06073	0.9
277.21829	0.5
298.04770	2.1
299.05609	5.1
389.30145	0.5
401.52875	0.5
503.12009	2.3
699.33423	2.8
936.06525	0.5
947.60199	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.6118
Annotation	Unknow
Peak:m/z	Relative Intensity
65.69907	0.3
68.30811	0.2
72.77382	0.3
78.95892	4.5
92.22375	0.3
100.61849	0.3
140.01201	3.2
152.99657	0.6
196.03833	9.6
197.55093	0.3
214.04884	2.3
224.71664	0.3
240.53139	0.3
255.23320	100.0
293.21265	0.4
397.13678	0.6
452.27893	58.5
465.87820	0.3
640.04425	0.4
653.37732	0.5
947.61060	0.7
949.36719	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.46
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	38.6
73.02946	7.1
79.76492	4.9
85.02972	7.7
89.02437	31.1
92.75861	4.7
95.01402	5.6
99.00795	4.7
100.57701	4.6
101.02430	20.2
113.02398	5.8
119.03493	10.3
238.22731	5.0
250.22054	5.0
267.07675	4.8
492.67850	5.2
729.48767	5.4
865.46252	11.1
907.47266	100.0
951.48737	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	951.4761
Annotation	Unknow
Peak:m/z	Relative Intensity
76.85803	0.4
107.82710	0.4
168.90213	0.4
253.02908	0.4
277.21735	55.9
324.80231	0.4
345.89127	0.4
350.79639	0.4
482.15906	0.8
498.15668	1.9
512.17023	2.2
572.19330	0.5
587.21368	0.4
599.21869	0.6
600.13770	0.6
600.22321	9.5
951.47662	100.0
967.69482	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.5696
Annotation	Unknow
Peak:m/z	Relative Intensity
68.34888	0.6
69.03459	0.7
71.01379	20.7
73.02948	3.2
78.25536	0.6
79.55189	0.6
83.01384	2.8
85.02953	4.3
87.00860	5.5
89.02437	20.3
92.85771	0.7
95.01370	1.2
97.02920	5.4
99.00898	0.9
101.02434	19.5
107.99483	0.7
113.02448	11.4
116.81332	0.7
119.03491	7.5
121.10248	2.6
125.02444	7.5
143.03468	1.2
161.04544	5.1
171.10239	6.2
179.05603	1.7
183.13878	11.0
211.13428	2.7
221.06610	0.9
231.21251	1.3
235.08247	6.2
235.17047	21.7
253.09200	1.2
259.20551	0.7
275.20200	39.2
277.21729	87.3
293.21259	100.0
305.08710	1.0
375.96286	0.9
379.12515	15.3
397.13516	60.2
415.14569	12.6
615.30200	1.0
639.05591	0.7
655.33411	6.1
657.34906	12.6
673.34503	18.7
675.36102	23.9
691.35089	11.3
933.57019	0.9
951.57050	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	951.6212
Annotation	Unknow
Peak:m/z	Relative Intensity
68.90459	0.9
71.01371	4.3
73.02938	1.3
89.02406	1.7
95.45122	0.9
113.02435	4.6
119.03445	1.7
127.66089	0.9
164.84914	1.2
164.98163	1.0
277.21735	100.0
291.23279	6.2
319.22849	2.3
400.34839	1.1
613.37567	8.1
631.38617	7.8
891.60217	19.8
951.62262	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	953.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
68.19204	0.4
70.75433	0.4
71.01377	9.4
73.02935	3.3
75.00859	1.9
78.38602	0.4
83.01397	1.2
85.02943	13.5
87.00874	2.3
87.04498	0.7
89.02451	3.6
95.01363	2.6
97.02939	2.0
99.00874	10.6
101.02438	2.6
103.04025	0.8
112.01652	0.8
113.02438	16.1
115.03986	2.7
123.63597	0.5
131.03493	4.8
137.85472	0.5
143.03467	4.2
145.04948	0.5
161.68599	0.6
163.06076	0.7
205.07196	1.2
407.29575	2.1
455.31747	8.0
499.30856	0.8
537.32214	2.0
569.34467	3.2
613.34180	3.7
782.25513	0.6
953.43964	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.4393
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	39.2
73.02937	19.7
83.01369	3.1
85.02941	13.3
89.02441	24.1
95.01360	2.9
101.02435	36.3
113.02424	31.4
119.03493	4.4
122.66061	2.1
131.03389	2.4
146.72560	2.1
161.04524	11.5
179.05630	3.4
209.11607	2.7
278.51694	2.4
411.11142	2.2
503.12927	2.4
524.62073	2.4
526.19873	2.5
665.06622	2.9
745.41620	24.3
763.42743	17.4
805.43750	61.2
823.44592	27.9
865.45856	100.0
893.45508	3.6
953.46521	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	953.4755
Annotation	Unknow
Peak:m/z	Relative Intensity
68.58566	1.9
71.01375	20.7
72.73284	2.2
73.02944	9.1
79.59296	1.8
85.02960	10.1
89.02431	17.2
96.95995	10.6
99.04547	2.0
101.02445	15.3
105.12047	2.2
113.02456	25.1
119.03504	2.8
119.75654	1.8
135.79773	1.8
283.02414	4.3
298.04822	12.0
299.05606	3.2
357.50690	2.2
444.93045	2.0
648.43042	2.3
745.45062	8.3
747.25861	2.7
763.46692	9.2
805.47723	47.5
823.48376	37.3
864.49347	2.6
865.49536	100.0
953.47589	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	953.4753
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	8.2
72.99324	0.4
73.02936	4.2
75.00863	5.4
76.83873	0.3
83.01391	0.8
85.02944	9.8
86.00083	0.4
87.00889	3.1
87.04517	0.7
89.02422	4.5
92.23066	0.4
95.01377	3.3
96.96009	0.5
97.02925	0.5
97.28864	0.3
99.00868	6.4
101.02442	6.4
103.03997	2.1
112.01634	0.7
113.02438	12.3
115.03993	3.2
119.03474	1.5
125.02460	0.6
131.03490	4.1
139.00378	0.6
143.03493	5.4
145.05026	0.5
150.50287	0.3
152.57625	0.3
157.01385	0.6
159.58833	0.4
161.04559	0.9
163.06152	0.9
205.07178	2.5
249.10922	0.4
261.15488	0.4
405.28149	0.5
456.15878	0.4
469.33209	1.6
645.35126	0.4
867.47003	0.5
918.81409	0.4
953.47614	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.4754
Annotation	Unknow
Peak:m/z	Relative Intensity
69.88826	0.6
71.01383	12.8
73.02944	4.1
83.01388	1.4
85.02947	8.7
87.00872	1.5
89.02420	2.4
95.01382	2.5
99.00857	2.6
101.02431	13.6
111.00912	0.7
112.01662	2.8
113.02451	13.9
119.03484	0.7
124.01653	2.8
125.02438	2.5
143.03519	1.2
161.04498	2.6
206.70183	0.7
457.36746	0.8
717.54895	0.7
745.45575	11.4
763.46210	8.1
781.47821	4.7
805.47559	49.0
823.48566	25.6
865.49628	100.0
909.49396	0.8
953.47479	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	953.4761
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01006	0.8
71.01378	12.8
73.02929	3.6
83.01378	2.2
85.02951	7.1
87.00864	2.2
89.02435	4.2
95.01376	2.1
97.02952	1.0
99.00870	2.6
101.02437	10.8
111.00889	0.7
112.01649	2.3
113.02449	12.3
124.01645	2.7
125.02426	2.8
131.52275	0.4
143.03519	0.7
149.25548	0.4
159.03000	0.8
161.04503	2.1
208.66602	0.5
259.48727	0.5
597.46735	0.5
619.41577	0.8
697.96417	0.5
727.45087	0.6
745.45520	9.9
763.46539	10.5
781.47668	4.0
805.47522	44.4
823.48608	27.0
847.51331	0.5
865.49615	100.0
909.48120	1.1
953.47833	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	953.4758
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	4.2
73.02939	2.5
75.00855	3.5
85.02938	11.0
85.03435	2.1
87.00841	3.4
89.02435	4.5
99.00862	4.5
101.02417	4.9
113.02425	11.5
115.04034	4.6
139.69905	2.4
143.03481	2.6
161.13538	2.3
204.30113	2.3
205.07138	2.7
293.67526	2.6
338.96814	2.6
355.22824	2.6
646.57581	3.2
773.74481	2.5
887.12927	3.3
953.47601	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.4757
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	14.9
73.02954	2.7
83.01396	1.4
85.02939	8.0
89.02450	9.0
95.01386	1.9
101.02434	18.1
113.02431	20.3
119.03460	5.1
122.24008	1.2
124.01586	1.9
125.09653	1.3
358.15356	1.3
392.04776	1.2
478.22546	1.5
537.51489	1.3
563.57318	1.4
607.82050	1.4
670.97156	1.3
745.44983	14.0
763.46564	15.5
781.47229	2.7
805.47467	59.8
823.48376	39.9
865.49634	100.0
953.48260	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	953.4758
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01372	10.1
73.02953	5.1
76.86727	1.1
85.02945	5.6
89.01942	1.1
89.02415	8.6
91.72266	1.2
97.73762	1.2
101.02425	6.9
110.08582	1.2
113.02442	7.1
118.45881	1.3
125.02451	1.3
152.63536	1.2
161.04550	1.6
172.12936	1.4
192.87088	1.2
200.49974	1.3
231.10017	1.2
238.41650	1.2
407.60519	1.4
473.22180	1.3
653.33881	6.7
699.83862	1.4
765.44916	5.2
789.44177	5.7
807.45618	37.3
825.46558	12.6
849.46436	58.9
867.47528	100.0
893.42297	5.0
909.48627	97.6
913.91772	1.6
953.48468	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	953.4755
Annotation	Unknow
Peak:m/z	Relative Intensity
70.89616	6.7
71.01377	17.0
85.02997	8.1
89.02434	11.1
97.79269	7.0
101.02460	15.4
451.33130	7.9
772.60272	8.9
867.47424	18.4
877.43451	8.6
909.48279	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.4755
Annotation	Unknow
Peak:m/z	Relative Intensity
70.89616	6.7
71.01377	17.0
85.02997	8.1
89.02434	11.1
97.79269	7.0
101.02460	15.4
451.33130	7.9
772.60272	8.9
867.47424	18.4
877.43451	8.6
909.48279	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.6369
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	2.9
72.45652	0.4
73.02945	1.0
78.81543	0.4
85.02967	0.7
89.02457	3.8
101.02428	0.9
108.08617	0.5
113.02428	2.9
118.59070	0.4
119.03564	0.8
161.04567	0.9
179.05615	0.7
220.58504	0.6
277.21744	100.0
291.23285	4.6
319.22906	4.6
540.27502	0.6
615.38947	3.5
633.40137	6.4
893.61536	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	955.4717
Annotation	Unknow
Peak:m/z	Relative Intensity
68.51415	0.7
70.99580	0.6
73.02938	0.9
74.78275	0.7
88.86969	0.6
95.40753	0.7
116.92838	3.5
210.88676	0.8
249.50957	0.6
294.39194	0.7
295.22888	8.3
384.58102	0.8
441.19205	0.9
445.04642	0.8
467.21051	2.6
469.22635	5.0
479.20947	1.2
486.19101	1.0
496.17151	7.1
497.21872	0.8
507.20432	2.9
509.18301	4.0
511.20114	3.1
512.16833	16.6
514.18317	1.3
523.19550	2.7
524.20734	4.2
525.20300	0.7
528.16315	4.8
531.55048	0.8
536.17010	6.5
539.22620	0.9
551.19647	3.9
555.18848	24.3
556.19788	1.3
572.19116	1.2
583.21863	1.2
585.19666	5.7
627.21338	1.1
659.23694	100.0
955.47174	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	955.4913
Annotation	Chikusetsusaponin V
Peak:m/z	Relative Intensity
69.03455	0.2
71.01380	7.2
71.01770	0.2
71.03953	0.2
72.99294	0.3
73.02944	2.7
75.00870	3.9
79.15259	0.2
83.01377	1.0
85.02952	8.0
87.00880	1.8
87.04501	1.0
89.02442	3.7
90.26981	0.2
95.01384	1.9
95.93042	0.2
97.02938	0.3
99.00880	4.9
101.02440	5.6
103.04015	1.6
107.79925	0.2
109.12843	0.2
111.00801	0.2
112.01630	0.4
113.01653	0.3
113.02439	8.0
115.04005	3.2
119.03504	1.3
125.02377	0.3
131.03497	3.3
134.66797	0.2
139.00366	0.9
143.03493	4.8
145.05042	0.8
157.01405	0.7
161.04535	0.4
163.06131	1.1
205.07187	2.1
298.72061	0.2
324.39810	0.2
354.87317	0.2
407.29437	0.2
423.32834	1.5
469.33633	0.3
471.34903	0.8
701.17303	0.2
726.33887	0.2
955.49182	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
66.63595	0.4
72.44295	0.4
83.75423	0.3
87.00870	100.0
88.78012	0.3
161.47722	0.4
201.08372	0.4
346.68869	0.4
444.84375	0.4
455.47327	0.4
473.46368	0.4
485.65176	0.4
514.98676	0.4
532.31799	0.4
678.17651	0.4
955.48792	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	955.4915
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	10.1
71.86957	0.2
72.99306	16.5
73.02940	1.4
75.00871	2.6
80.72468	0.2
83.01382	1.4
84.00646	0.3
85.02952	6.8
85.35493	0.2
87.00858	2.9
89.02436	3.5
95.01392	1.3
97.02946	0.3
99.00871	7.1
101.02426	2.4
103.00355	0.3
103.04015	1.6
111.00843	0.2
112.01651	0.5
113.02446	18.2
115.00340	1.1
115.03967	0.5
119.03492	0.5
125.02319	0.3
127.04007	0.3
131.03500	2.1
133.01411	3.8
143.03522	0.9
157.01430	2.2
163.06105	1.1
170.54790	0.2
175.02451	1.7
189.51338	0.3
205.07230	0.3
219.91628	0.2
301.60727	0.3
321.08273	6.7
339.09366	2.5
345.83984	0.3
358.56970	0.3
381.10352	1.5
435.11386	1.8
453.12332	0.4
497.11520	4.2
774.97003	0.3
822.23456	0.3
955.49164	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.4914
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	22.5
72.99308	0.8
73.02938	5.0
83.01396	6.3
84.29039	0.6
85.02937	6.5
87.00862	0.9
89.02435	16.2
91.75829	0.6
95.01382	2.5
99.00854	2.7
101.02440	17.9
113.02425	10.3
119.03494	7.2
129.05600	0.7
159.03036	0.6
161.04570	3.9
179.05606	6.3
234.19235	0.7
339.70105	0.7
605.40210	0.9
749.44794	5.5
791.46643	0.9
809.47400	4.6
827.47784	1.2
851.47949	7.7
869.49048	22.2
911.50226	100.0
937.47888	1.4
955.48901	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	955.4923
Annotation	Unknow
Peak:m/z	Relative Intensity
70.91189	0.2
71.01007	0.5
71.01383	10.1
72.99300	1.0
73.02949	3.4
75.00872	5.8
83.01382	1.1
85.02946	11.0
87.00869	2.9
87.04517	1.4
89.02442	5.7
91.60700	0.2
95.01388	2.9
95.41823	0.3
99.00881	8.5
101.02441	7.7
103.04009	1.7
103.85535	0.3
112.01667	1.1
113.01656	0.4
113.02445	11.9
115.03997	4.0
119.03493	1.8
131.03497	4.7
139.00381	1.2
143.03493	5.4
144.97514	0.3
145.05066	0.6
157.01512	0.9
161.04533	0.5
163.06181	1.8
205.07159	3.2
224.77713	0.2
407.29572	0.9
423.32703	2.3
469.33344	0.9
471.34918	2.1
555.11841	0.3
629.36554	0.3
664.54919	0.3
813.77893	0.3
867.47296	0.6
955.49170	100.0
967.29669	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
66.75419	0.2
68.99819	0.4
71.01012	0.4
71.01378	10.0
72.99303	0.7
73.02952	3.6
75.00866	5.1
83.01378	1.4
85.02942	11.1
87.00871	3.1
87.04516	1.5
89.02441	6.0
95.01366	2.6
99.00864	7.4
101.02442	8.2
103.04009	2.1
112.01640	0.5
113.02448	10.9
115.00347	0.6
115.04008	3.9
119.03493	1.6
125.02391	0.6
129.02072	0.3
131.03487	4.7
138.39191	0.3
139.00346	1.1
141.47450	0.3
143.03491	6.1
145.05058	1.2
157.01421	1.4
161.04510	0.4
163.06100	1.4
205.07237	3.7
309.93512	0.3
423.32745	2.5
451.32062	1.1
471.34698	1.7
558.39203	0.3
629.37262	0.4
937.50098	0.3
955.49158	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99821	0.6
71.01379	8.0
71.64687	0.2
72.99300	0.3
73.02949	2.9
75.00861	4.6
83.01377	1.2
85.02945	9.1
87.00869	2.7
87.04497	0.7
89.02436	5.4
95.01369	2.0
99.00874	6.2
99.04524	0.3
101.02433	6.6
103.03988	2.1
112.01656	0.7
113.02452	9.7
115.03999	3.5
119.03477	2.1
125.05993	0.3
129.03728	0.3
131.03502	4.3
139.00374	0.7
143.03476	5.0
145.05052	0.6
157.01398	0.6
161.04549	0.7
163.06100	1.4
205.07193	3.7
246.01538	0.3
252.73981	0.3
273.69180	0.3
423.32755	2.3
451.32425	0.4
455.32330	0.3
471.34848	1.5
542.27710	0.4
626.58722	0.3
867.51483	0.6
955.49127	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.4916
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	9.5
72.99300	1.4
73.02940	2.9
75.00871	4.8
81.10435	0.4
83.01407	0.6
84.44179	0.3
85.02938	8.0
87.00872	2.7
87.04489	0.6
88.98775	0.6
89.02437	4.3
95.01374	2.5
99.00877	6.1
101.02449	6.4
103.04015	0.9
112.01672	0.8
113.02453	9.6
115.00355	0.6
115.03999	3.2
119.03488	1.8
119.87199	0.4
124.98042	0.4
131.03487	3.0
134.88051	0.4
139.00404	0.9
143.03490	4.0
145.05054	0.5
157.01398	0.6
163.06090	1.6
197.63269	0.4
205.07222	2.0
287.03549	0.4
290.26398	0.4
409.21967	0.4
423.33002	3.5
469.33401	2.3
471.34854	8.1
567.37128	0.4
585.38037	11.1
603.38605	3.3
616.92944	0.4
629.37341	4.8
699.16522	0.4
746.48499	0.4
747.43414	0.8
911.48914	0.6
955.49170	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.4913
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	19.5
72.99295	1.6
73.02943	3.0
75.00866	0.5
83.01389	5.4
85.02948	8.2
87.00864	1.7
87.63074	0.3
89.02438	18.8
95.01383	1.8
99.00854	1.9
101.02443	14.3
113.02441	11.6
119.03494	6.5
131.03459	1.2
143.03477	1.8
149.04564	0.4
159.02953	0.4
161.04549	4.4
173.39426	0.3
179.05621	6.5
362.80884	0.3
389.76822	0.3
429.43274	0.3
491.37442	0.5
493.74542	0.4
499.13208	1.7
585.38312	0.5
587.48633	0.3
589.37598	0.5
605.40930	2.7
633.39423	0.3
647.41125	0.3
701.25732	0.3
707.43445	0.7
749.44891	5.9
750.05414	0.4
773.45404	0.3
787.94879	0.3
791.46191	2.7
809.47113	5.5
827.47913	1.6
851.48029	11.4
863.09174	0.4
869.49139	19.9
911.50214	100.0
955.49219	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	955.6521
Annotation	Unknow
Peak:m/z	Relative Intensity
70.07565	3.5
75.95541	3.8
101.75509	4.0
102.41152	3.6
105.36689	4.3
106.53886	4.5
277.21738	100.0
278.22119	42.0
279.22427	10.0
279.27441	4.7
387.05881	4.4
725.33521	4.7
895.63385	8.4
913.22131	4.4
955.63928	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	957.4553
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	1.5
76.66988	0.9
85.02921	0.8
99.04510	100.0
101.02434	14.4
103.99953	0.9
109.70390	0.8
113.02396	1.1
116.15769	0.9
125.02432	43.0
143.03488	6.6
175.03966	1.0
178.53049	0.9
193.05093	1.0
212.74831	1.1
246.74117	0.9
291.18228	5.9
298.04776	0.9
299.05164	1.1
333.19211	2.0
375.20212	7.4
415.23322	3.9
435.22305	6.7
477.23456	86.0
521.29718	3.1
524.66583	1.0
957.50348	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	957.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01375	7.8
73.02946	0.6
75.00864	5.8
80.12026	0.3
83.01381	0.6
85.02938	8.5
87.00850	0.6
88.07998	0.3
89.02440	6.7
95.01397	2.3
99.00873	9.3
100.41537	0.3
101.02462	3.4
101.04813	0.3
112.01618	0.7
113.02440	16.9
115.00369	0.3
116.48236	0.3
119.03477	0.7
139.00368	0.7
157.01427	2.4
208.10756	0.3
287.60489	0.3
304.40204	0.3
439.32104	3.1
469.33316	1.6
485.32809	1.9
487.34360	20.1
529.35059	1.2
557.35077	0.4
569.34863	3.2
591.09601	0.3
601.37494	10.6
619.38690	2.5
645.36475	17.2
663.37646	1.1
733.41608	1.9
795.41888	15.6
837.46503	6.5
855.47931	2.3
897.48541	20.6
957.47046	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.5068
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	9.2
72.99299	2.1
73.02936	3.4
75.00863	6.4
75.63420	0.5
83.01386	1.1
85.02943	8.5
87.00861	2.2
87.04496	1.1
89.02428	4.4
95.01379	2.3
99.00870	7.7
101.02426	9.5
103.04002	1.1
112.01665	0.6
113.02433	10.7
115.03989	2.7
119.03484	0.9
131.03485	4.1
132.05917	0.6
139.00446	0.7
143.03493	6.2
145.05081	0.6
163.06104	2.1
202.20398	0.6
205.07187	3.9
261.98422	0.6
423.32993	0.7
473.36258	1.0
957.50616	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.5062
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99822	0.2
71.01376	9.6
72.99303	0.5
73.02943	3.1
74.29678	0.2
75.00861	4.5
83.01375	1.3
85.02942	9.9
86.00060	0.3
87.00876	3.4
87.04513	0.9
89.02434	6.3
95.01377	2.1
97.02914	0.3
99.00872	6.4
99.04501	0.4
101.02435	7.9
103.03993	2.5
112.01627	0.9
113.02441	11.2
115.00323	0.3
115.03991	3.6
119.03481	2.4
125.02405	0.4
127.26110	0.2
131.03487	4.5
139.00345	1.3
143.03491	5.7
145.05055	1.2
157.01392	0.4
159.02910	0.2
161.04526	1.0
163.06096	2.0
205.07211	4.2
242.53261	0.2
268.53143	0.2
423.32617	0.3
425.34277	0.5
453.33600	0.3
473.36377	0.9
957.50665	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.511
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	18.8
73.02932	4.2
75.00864	6.8
83.01389	1.8
85.02946	14.5
87.00886	1.0
89.02427	11.0
89.59502	1.3
91.33319	0.9
95.01366	4.0
99.00898	10.7
101.02447	11.8
109.40349	1.0
112.01659	1.3
113.02445	27.2
119.03514	3.4
124.01667	1.1
157.01457	1.9
165.01778	0.9
168.75288	1.0
180.50671	1.0
181.75706	1.0
235.10930	1.0
394.83282	1.1
439.32449	2.1
485.32932	1.5
487.34277	17.6
569.35004	4.0
601.37427	14.8
645.36572	15.1
777.44043	1.7
795.42010	16.9
837.46423	14.9
855.47858	9.0
897.48621	61.2
957.47375	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	959.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02952	1.2
83.01382	1.4
161.09706	1.5
165.01907	12.1
187.11299	4.3
189.09187	1.4
193.05051	1.1
240.04300	1.5
255.02940	1.6
271.06076	16.9
283.02527	20.5
284.03384	15.2
298.04840	52.2
299.05640	100.0
411.16522	6.4
429.21954	1.1
503.11777	13.5
711.23151	23.4
915.29413	89.5
952.52393	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	961.5664
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95902	4.1
80.49680	0.2
102.60754	0.2
110.98517	6.0
122.65996	0.2
148.31406	0.2
149.22284	0.2
167.01138	12.3
185.02264	2.7
227.88298	0.2
261.22437	0.3
279.23309	100.0
300.36362	0.2
335.57309	0.2
354.10504	0.2
433.47214	0.2
447.25232	65.8
568.75848	0.2
603.90314	0.2
943.27850	0.2
961.75232	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.6866
Annotation	Unknow
Peak:m/z	Relative Intensity
68.09033	0.2
74.39616	0.2
83.09180	0.2
95.05011	1.1
107.73000	0.2
112.07674	5.7
113.06080	2.5
122.93027	0.2
129.10353	4.3
130.07761	0.4
130.08733	10.4
149.90193	0.2
197.16646	0.3
207.15041	4.0
208.13458	1.2
221.02638	0.2
224.17776	2.5
225.16095	25.8
238.20734	0.2
320.23538	2.7
325.52957	0.2
337.26138	2.6
338.24551	8.8
355.27420	0.2
433.31845	2.4
450.34436	2.7
451.27097	0.2
451.33008	5.8
546.40100	1.7
563.42822	2.2
564.41333	3.3
659.48920	1.4
676.51135	1.2
677.49725	1.3
772.57538	0.4
789.59882	1.3
885.65411	4.0
903.66638	100.0
963.68768	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	965.5977
Annotation	Unknow
Peak:m/z	Relative Intensity
70.95772	0.3
75.81960	0.4
78.95896	3.4
82.86052	0.3
84.93607	0.4
95.74902	0.4
110.98515	5.2
119.02042	0.3
160.20056	0.4
167.01129	10.1
185.02180	2.5
188.10231	0.4
216.82013	0.4
227.24550	0.4
281.24866	100.0
299.05408	0.5
360.56680	0.4
371.39056	0.4
449.26785	61.3
586.73004	0.4
631.02075	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.657
Annotation	Unknow
Peak:m/z	Relative Intensity
72.56104	0.3
73.88074	0.3
79.03226	0.3
85.02934	0.3
99.08136	1.9
101.02427	0.5
118.95907	0.3
125.09711	0.5
127.11271	0.7
139.11322	0.4
152.56764	0.3
167.14542	0.4
171.10272	2.2
183.13954	2.6
193.12383	0.6
209.11816	0.5
211.13409	26.0
221.57120	0.3
229.14456	20.9
279.53537	0.3
292.47699	0.3
293.21286	0.6
304.09485	0.3
311.22354	0.7
329.23367	100.0
330.23856	0.7
373.64722	0.3
401.53525	0.3
758.24536	0.3
835.46118	0.6
877.46478	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	966.66
Annotation	Unknow
Peak:m/z	Relative Intensity
87.36559	1.9
112.06283	2.4
139.31758	1.8
140.44949	2.0
211.78940	2.1
304.89594	2.2
339.19724	2.0
374.53360	2.7
374.58154	2.2
454.59283	2.3
596.32855	2.2
629.85065	2.4
737.19452	2.6
903.66919	4.4
906.67249	4.6
966.66309	100.0
976.86420	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	967.4549
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99808	0.4
69.03454	0.6
71.01380	7.4
72.99296	1.6
73.02941	3.3
75.00874	1.6
83.01372	1.6
85.02946	8.9
87.00865	2.4
87.04507	0.7
89.02438	3.6
95.01360	2.5
97.02937	0.4
99.00257	0.5
99.00869	11.4
101.02428	4.8
103.04002	0.4
112.01640	1.3
113.02442	13.3
115.00350	1.5
115.03976	2.6
119.03477	0.7
125.02435	0.5
131.03493	2.8
139.00385	0.6
143.03496	2.9
147.96671	0.3
157.01379	1.2
163.06055	0.5
203.14516	0.4
205.07176	2.0
218.19820	0.3
328.65945	0.3
391.29959	0.7
419.29614	0.4
421.31464	1.1
435.29108	0.6
439.32269	6.6
465.30154	1.2
481.33789	0.6
483.31213	5.9
538.90332	0.4
553.35455	4.3
565.31482	1.4
571.36469	0.7
597.34509	9.7
615.35406	0.5
623.32910	0.4
641.33313	4.4
759.39996	3.5
777.42999	0.7
819.45563	3.4
837.45709	2.5
879.47437	5.3
902.11823	0.3
905.45886	2.4
967.45416	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.4549
Annotation	Unknow
Peak:m/z	Relative Intensity
68.98853	0.6
71.01375	19.6
71.04999	0.6
73.02926	5.4
83.01395	2.3
85.02936	10.4
85.75503	0.5
87.00879	1.3
89.02424	10.2
92.22562	0.7
95.01395	2.8
97.06567	1.0
99.00856	1.3
101.02436	11.8
112.01613	0.7
113.02441	22.6
117.81054	0.6
119.03493	3.8
124.01634	0.5
125.18136	0.5
133.03497	0.5
137.02509	0.7
142.02654	0.5
143.03496	0.8
161.04539	1.2
188.03514	0.6
199.65402	0.6
211.13422	6.0
212.13664	1.3
223.40588	0.5
229.14445	3.4
230.14857	1.0
230.21959	0.6
329.23410	13.8
330.23694	10.2
331.23953	3.7
499.30374	0.9
517.31653	2.3
615.38953	0.7
633.39893	1.9
660.96216	0.6
675.40863	0.8
759.43341	17.4
777.44470	10.4
795.44849	0.7
819.45502	62.5
837.46436	32.7
879.47491	100.0
923.46680	1.1
924.79370	0.6
967.46375	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	967.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	28.5
73.02932	16.0
82.78168	1.4
83.01371	2.7
85.02966	11.8
89.02422	16.0
89.35828	1.5
92.52441	1.8
93.16607	1.8
95.01400	2.3
99.00848	2.2
101.02441	23.6
111.17093	1.7
113.02441	18.5
119.03491	8.1
149.04503	2.4
152.41910	1.7
161.04500	3.0
239.83249	1.7
298.04813	2.3
299.05350	1.9
759.42841	9.1
777.44525	13.5
819.45471	58.2
837.46515	36.8
879.47565	100.0
967.41785	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	967.5278
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99815	0.3
70.23624	0.2
71.01009	0.4
71.01379	8.6
72.99299	0.5
73.02947	3.0
75.00867	4.7
83.01383	1.8
85.02948	9.6
86.00089	0.3
87.00861	2.7
87.04507	0.6
89.02432	6.0
95.01376	2.2
99.00873	6.2
99.90587	0.2
101.02439	7.3
103.04000	1.6
111.00869	0.3
112.01645	1.0
113.02438	8.8
115.03992	3.8
119.03518	2.2
125.02467	0.4
131.03508	3.4
139.00381	1.0
143.03506	5.1
145.05048	1.2
147.13123	0.3
157.01395	1.0
158.00343	0.3
161.04526	1.2
163.06091	1.3
165.75414	0.2
165.76813	0.2
166.02917	0.2
171.03496	0.2
205.07204	3.2
276.32422	0.3
281.24936	0.3
293.21384	0.3
463.35782	0.6
483.38327	0.4
565.18701	0.3
967.52783	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5279
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	8.3
72.99284	0.3
73.02952	3.0
74.24030	0.2
75.00860	3.6
83.01386	1.1
85.02941	9.1
86.00092	0.4
87.00868	2.3
87.04513	0.5
87.89674	0.3
89.02438	4.5
92.22424	0.5
95.01397	2.2
99.00871	6.0
101.02438	6.6
103.03999	1.5
112.01630	0.4
113.02433	9.0
115.03987	3.7
119.03476	1.7
131.03494	4.0
139.00388	0.6
143.03499	4.5
145.05049	0.7
157.01448	0.5
158.86388	0.3
159.02899	0.3
161.04504	0.4
163.06128	1.1
170.57436	0.3
205.07184	2.8
248.52632	0.3
463.35968	0.6
483.38446	1.4
675.87616	0.3
684.20190	0.3
743.47418	0.3
967.52759	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.6161
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	6.0
73.02936	2.9
74.70857	0.5
85.02935	3.4
89.02424	5.3
93.52263	0.7
101.02436	4.4
113.02440	3.8
116.50872	0.5
119.03474	2.6
138.19415	0.6
161.04565	2.6
179.05614	2.7
233.22693	0.6
235.71660	0.6
273.22287	2.6
277.21732	100.0
291.23294	8.0
301.21637	1.0
319.22784	5.1
333.33893	0.5
376.05673	0.6
436.38092	0.7
629.37018	26.3
647.38312	7.1
670.16150	0.6
710.34320	0.6
907.41492	1.2
907.59467	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	969.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
90.57560	0.2
93.03455	2.0
101.05017	0.2
102.57666	0.2
133.40492	0.2
135.92410	0.2
161.99634	0.2
163.00388	0.3
165.01923	21.2
165.61313	0.2
178.02744	0.3
206.02226	0.3
212.04832	0.4
240.04308	4.5
243.06604	1.1
249.77536	0.2
255.02956	1.4
255.06633	1.6
256.03751	1.2
264.06815	0.2
271.06131	25.5
277.21558	0.3
283.02502	18.5
284.03247	12.8
297.04080	2.6
298.04837	38.0
299.05627	100.0
312.06519	0.3
326.04089	0.2
341.06622	1.3
503.12006	26.5
636.55682	0.2
675.15765	0.2
721.32391	55.3
763.33679	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	969.4513
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01398	1.6
86.21854	0.3
89.02453	1.1
99.00926	0.3
101.02466	0.5
121.10261	0.4
127.75432	0.3
171.10249	0.6
275.20245	1.5
277.21692	3.4
293.21213	1.0
397.13538	3.1
415.14752	1.0
452.18637	1.3
462.88800	0.3
467.21030	6.3
480.18176	1.7
481.18701	0.6
494.20001	1.2
495.20618	6.7
505.18539	0.5
507.20383	1.5
508.17557	1.4
509.18237	0.3
510.19031	0.3
511.15945	3.6
512.17053	18.3
521.18359	3.5
522.19067	3.7
523.20349	2.9
524.17249	1.3
525.21393	0.6
528.20142	0.4
529.17633	0.4
534.15698	0.6
535.16229	4.5
536.17035	1.9
537.21832	2.0
538.18707	1.3
539.19379	5.0
542.17938	0.4
549.17865	43.3
550.18811	2.6
551.19843	2.8
554.20636	0.5
566.18604	0.4
578.14026	0.3
581.20020	0.4
583.18903	1.1
584.19196	0.3
598.20679	2.6
601.19550	5.2
602.21313	0.4
610.17407	2.1
617.21936	0.3
630.19836	0.3
642.19922	5.2
643.20251	0.5
675.23218	100.0
799.46912	0.3
969.45129	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	969.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
68.18814	0.3
92.13787	0.2
195.13911	1.7
235.30553	0.3
250.25121	0.2
277.21765	1.7
295.22818	3.1
442.16467	2.1
455.17352	7.1
456.17783	0.4
457.19025	1.0
459.16870	0.3
470.16071	1.6
473.11533	0.4
473.18399	11.0
473.24146	0.4
474.15439	1.6
483.16461	0.9
485.18433	0.6
496.13821	11.3
497.14725	1.6
510.15369	2.0
511.16309	6.1
512.13428	21.4
513.13757	2.4
526.15009	16.1
527.15747	10.2
528.16949	1.8
529.17102	0.5
539.19806	1.0
543.18756	1.1
559.18274	0.4
560.15222	0.6
583.18567	2.4
587.17889	2.3
597.20294	2.7
599.19165	7.6
613.19446	1.5
614.20276	100.0
615.20990	14.3
629.22388	3.4
631.20520	1.7
641.18469	0.3
645.22229	7.6
646.19476	2.2
673.21613	17.2
865.44312	0.4
969.45038	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	969.4507
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02921	0.9
90.59138	0.5
105.77468	0.6
128.88943	0.5
140.03810	0.5
171.10257	1.0
175.90068	0.5
233.03981	0.5
277.21719	2.3
455.17264	1.1
467.17404	0.6
468.17929	0.6
473.18405	2.6
479.17422	1.0
481.19009	2.9
483.20676	4.6
484.21164	0.6
493.18900	1.1
494.19803	0.6
496.13345	0.7
500.16638	0.7
507.16592	0.6
510.15198	9.9
511.16278	3.1
512.13477	5.1
514.18756	2.0
521.18292	1.0
523.16254	2.4
525.17438	3.2
526.14984	36.5
527.15332	3.6
537.17932	1.0
538.18628	3.3
542.17419	1.1
553.19904	0.5
569.16791	15.7
570.18060	2.2
582.17346	2.3
583.18127	0.7
586.17090	0.8
598.17084	0.8
599.17853	8.4
600.18793	0.7
614.20264	13.5
615.20874	1.3
629.23517	0.6
645.21826	0.6
673.21661	100.0
969.45093	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	969.4705
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03392	0.5
69.90583	0.5
71.01009	1.0
71.01376	20.0
73.02935	10.3
82.34297	0.5
83.01379	3.7
85.02953	8.5
87.00847	0.7
89.02438	14.3
95.01366	3.6
99.00861	0.7
101.02435	15.9
113.02440	23.6
119.03500	6.1
125.02409	1.0
131.03479	0.7
143.03453	0.6
161.04543	3.2
761.44623	11.2
779.45850	10.3
797.46594	2.5
821.47052	50.4
839.48022	31.3
881.49194	100.0
969.46948	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	969.4706
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	18.1
73.02953	3.9
83.01376	2.3
85.02947	9.0
87.00854	1.8
89.02439	10.1
89.28215	0.4
92.22510	1.0
95.01372	2.9
97.02934	1.0
99.00858	2.3
101.02440	15.4
101.14796	0.4
111.00865	0.6
112.01645	2.2
113.02444	23.6
119.03482	4.9
124.01622	3.7
125.02420	1.9
126.91727	0.4
131.03543	0.7
143.03505	1.1
156.85863	0.5
161.04553	2.3
165.79836	0.4
170.25304	0.4
181.78477	0.4
193.05000	0.5
207.45621	0.4
342.86923	0.4
404.45273	0.5
617.40448	0.8
743.43317	0.6
761.44769	11.0
779.46069	8.8
797.47083	2.9
821.46912	44.5
839.48175	27.1
839.60675	0.6
881.49152	100.0
925.48059	3.1
969.47449	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	969.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
69.21808	0.7
71.01374	17.2
72.99311	0.8
73.02941	7.8
75.67373	0.6
83.01371	2.6
85.02937	9.0
87.00883	0.8
89.02436	12.1
95.01369	2.8
99.00862	0.9
101.02439	16.9
113.02433	24.6
119.03493	5.2
131.03474	0.8
148.52498	0.8
151.89221	0.7
161.04549	1.1
227.78513	0.9
637.89575	0.9
695.77954	0.8
761.45251	10.2
779.45978	6.2
821.47052	41.3
839.48108	20.2
866.04205	0.9
881.49103	100.0
969.46826	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	969.4709
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99812	0.2
71.01005	0.4
71.01380	6.0
72.99314	0.3
73.02958	2.4
75.00871	2.6
83.01379	1.3
85.02944	6.9
87.00867	3.1
87.04526	0.6
89.02443	3.4
95.01420	1.9
96.96040	0.3
99.00879	9.2
101.02434	3.9
103.04010	0.6
112.01647	0.6
113.02443	8.0
115.00291	0.4
115.04016	2.1
119.03486	1.1
130.02699	0.2
131.03513	3.2
139.00366	0.6
143.03497	3.5
157.01434	1.8
163.06093	0.3
167.75137	0.3
190.57990	0.3
205.07178	1.6
248.24203	0.3
310.74176	0.3
364.76880	0.4
437.30600	3.4
439.32214	0.4
441.33682	1.1
467.31595	1.8
483.31354	0.7
485.32816	7.0
527.34161	1.0
552.99103	0.3
555.37048	0.5
567.33313	2.5
581.35620	0.5
583.33594	0.4
599.35980	11.5
617.37177	2.1
643.34796	7.9
732.78418	0.3
743.39838	0.4
761.41040	2.6
907.47272	1.2
969.47089	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.4709
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99812	0.2
71.01005	0.4
71.01380	6.0
72.99314	0.3
73.02958	2.4
75.00871	2.6
83.01379	1.3
85.02944	6.9
87.00867	3.1
87.04526	0.6
89.02443	3.4
95.01420	1.9
96.96040	0.3
99.00879	9.2
101.02434	3.9
103.04010	0.6
112.01647	0.6
113.02443	8.0
115.00291	0.4
115.04016	2.1
119.03486	1.1
130.02699	0.2
131.03513	3.2
139.00366	0.6
143.03497	3.5
157.01434	1.8
163.06093	0.3
167.75137	0.3
190.57990	0.3
205.07178	1.6
248.24203	0.3
310.74176	0.3
364.76880	0.4
437.30600	3.4
439.32214	0.4
441.33682	1.1
467.31595	1.8
483.31354	0.7
485.32816	7.0
527.34161	1.0
552.99103	0.3
555.37048	0.5
567.33313	2.5
581.35620	0.5
583.33594	0.4
599.35980	11.5
617.37177	2.1
643.34796	7.9
732.78418	0.3
743.39838	0.4
761.41040	2.6
907.47272	1.2
969.47089	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
69.73213	0.8
71.01379	20.6
73.02944	3.8
82.36963	0.8
83.01381	6.3
85.02949	7.3
87.00865	0.9
89.02439	20.0
92.23114	1.3
93.67161	0.9
95.01398	0.9
99.00840	0.9
99.56786	0.8
101.02437	17.1
113.02441	12.0
119.03512	7.2
124.80468	0.8
143.03500	1.7
161.04558	3.3
179.05545	6.5
223.29776	0.9
265.45743	0.8
348.07831	1.0
482.46228	0.9
504.54703	1.0
545.12543	0.9
721.41998	1.1
763.42719	6.2
805.44574	4.5
823.44440	7.9
841.45605	1.5
865.45868	16.4
883.46973	23.2
925.48114	100.0
969.49066	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	969.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	5.1
73.02926	0.7
80.47276	0.6
83.01369	0.9
85.02952	2.5
89.01907	0.7
89.02427	6.3
113.02443	2.6
119.03506	1.3
161.04558	1.3
171.30652	0.5
179.05611	2.2
207.29102	0.6
275.66422	0.6
475.98975	0.8
807.45337	1.4
849.45538	1.2
867.47620	11.7
909.48615	54.3
969.50714	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.5069
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	7.0
89.02438	8.2
101.02431	6.5
119.03484	2.4
157.94054	1.6
358.16925	1.7
457.40158	1.7
506.12134	1.9
867.47888	10.6
909.48724	55.3
969.50537	100.0
983.47687	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	969.5068
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03473	0.2
71.01378	9.2
72.99288	0.8
73.02946	3.9
75.00871	5.4
83.01394	1.3
85.02946	11.5
86.00108	0.2
87.00865	2.9
87.04525	1.3
89.02433	4.8
89.07095	0.2
92.25411	0.2
95.01389	2.6
95.13015	0.2
97.02975	0.2
99.00874	7.4
99.04507	0.2
101.02443	8.4
103.04002	2.0
103.39523	0.2
111.00882	0.3
112.01655	1.3
113.02444	11.2
115.00346	0.3
115.03997	4.4
119.03526	1.3
125.02445	0.4
127.65668	0.2
129.01869	0.2
131.03494	4.7
139.00343	1.1
143.03494	6.2
145.05064	1.1
157.01384	1.4
161.04582	0.6
163.06161	1.4
205.07166	3.1
215.15392	0.2
409.34790	0.2
453.33798	0.2
465.33606	0.7
485.36423	0.4
969.50720	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.5797
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01366	17.9
73.02931	2.5
76.44536	1.5
83.01382	1.8
85.02936	4.0
87.00890	1.7
89.02447	25.1
97.02951	2.5
101.02454	20.9
101.06672	1.6
101.13040	1.5
110.10347	1.6
113.02438	7.8
116.95689	1.6
119.03537	7.8
121.10216	8.3
125.02415	6.7
125.09726	7.4
185.11900	12.2
197.11859	3.3
235.08350	7.4
255.23335	2.7
256.23727	2.2
279.23328	96.1
291.19684	65.7
293.17868	2.0
397.13525	100.0
415.14716	26.8
485.27252	2.5
677.37628	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	969.6304
Annotation	Unknow
Peak:m/z	Relative Intensity
69.64577	0.5
71.01370	7.2
73.02937	2.2
85.02943	2.2
89.02423	6.6
95.01359	0.7
97.02943	0.6
99.14641	0.5
101.02442	5.7
113.02441	6.2
119.03470	2.8
138.51367	0.5
161.04590	2.4
179.05652	4.1
211.93414	0.7
228.97087	0.6
273.22372	0.8
277.21729	100.0
279.23276	3.3
282.73654	0.6
291.20090	0.8
291.23193	5.9
309.20801	2.5
311.22235	4.9
319.22748	3.7
397.13422	3.4
451.90451	0.6
631.38617	29.5
649.39429	6.6
691.34741	0.7
909.61041	32.8
969.57477	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.6317
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01366	6.9
89.02427	9.4
101.02449	7.0
113.02425	6.4
119.03487	3.7
125.26955	1.7
146.97202	1.9
181.67784	1.8
195.13884	10.8
223.13347	8.9
256.13077	2.3
275.20230	13.5
293.21249	100.0
492.76077	1.9
693.42303	71.9
969.62134	11.3
973.71509	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	969.6311
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	3.9
73.02931	1.0
79.63767	0.9
85.03002	0.8
89.02443	5.0
97.55281	0.8
99.16429	0.8
101.02420	1.7
112.44788	0.9
113.02458	3.8
119.03488	1.2
144.68690	1.1
161.04597	1.5
223.17009	1.5
277.21738	100.0
278.21970	1.4
291.23370	4.5
293.21359	1.3
309.20712	3.0
310.21057	2.0
311.22058	4.3
319.22864	5.2
359.78589	0.9
397.13306	1.3
398.13922	1.0
631.38373	8.4
649.39648	7.8
684.79041	0.9
691.35455	1.1
709.35486	1.2
755.55908	1.0
909.61145	40.3
969.58667	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	971.4837
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	0.3
71.01004	0.5
71.01375	8.5
72.57822	0.3
72.99305	1.3
73.02937	3.4
75.00863	4.9
76.39143	0.3
83.01380	1.9
84.34645	0.3
85.02950	8.8
87.00867	3.7
87.04511	1.3
87.53791	0.3
89.02433	4.7
95.01381	2.6
96.84215	0.3
97.02921	0.4
98.02158	0.3
99.00865	6.7
101.02442	7.7
103.04008	1.9
108.06799	0.3
111.00857	0.4
112.01632	0.4
113.02435	9.1
115.03982	3.4
119.03497	2.3
131.03470	3.4
133.01335	0.4
139.00389	0.4
143.03506	4.0
145.05022	0.4
157.01413	1.3
159.02956	1.3
161.04495	1.3
163.02487	1.3
163.06107	2.2
191.01973	0.7
205.07153	2.9
380.32748	0.4
439.32007	0.6
459.34882	0.8
469.49512	0.4
487.33878	2.4
527.77124	0.6
573.28955	0.4
573.37964	2.2
584.20197	0.3
601.37958	1.9
617.36737	0.5
645.36597	1.7
707.31030	0.5
722.73651	0.4
738.31250	0.4
763.44189	0.4
866.14771	0.4
900.47070	0.4
934.10693	0.5
939.51794	0.4
971.49561	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.4862
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99805	0.4
71.01376	6.2
72.99301	0.9
73.02941	2.1
75.00870	3.2
76.50675	0.2
81.43343	0.2
83.01366	0.9
85.02944	8.0
85.16086	0.2
87.00870	2.0
87.04500	1.1
89.02447	3.5
94.53900	0.2
95.01390	2.6
99.00877	6.9
101.02440	3.9
103.04003	1.2
110.03594	0.2
112.01654	0.9
113.02440	7.7
115.04002	3.2
119.03489	1.2
125.02400	0.2
131.03490	3.4
138.20465	0.2
139.00365	0.9
143.03484	4.3
145.05058	0.4
157.01404	1.4
161.04532	0.8
163.06114	1.0
194.58891	0.2
197.29131	0.2
205.07167	2.5
264.81314	0.2
376.26321	0.2
439.32236	3.8
441.34082	0.2
469.33435	1.4
485.33026	2.5
487.34363	9.5
529.35376	1.2
557.35144	0.2
567.33606	0.2
569.34540	2.1
583.36700	0.9
599.35773	0.3
601.37531	12.5
605.57007	0.2
619.38452	3.3
645.36554	7.8
745.43127	0.3
763.42621	1.7
909.48517	0.7
953.46863	0.2
971.48645	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.4862
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99805	0.4
71.01376	6.2
72.99301	0.9
73.02941	2.1
75.00870	3.2
76.50675	0.2
81.43343	0.2
83.01366	0.9
85.02944	8.0
85.16086	0.2
87.00870	2.0
87.04500	1.1
89.02447	3.5
94.53900	0.2
95.01390	2.6
99.00877	6.9
101.02440	3.9
103.04003	1.2
110.03594	0.2
112.01654	0.9
113.02440	7.7
115.04002	3.2
119.03489	1.2
125.02400	0.2
131.03490	3.4
138.20465	0.2
139.00365	0.9
143.03484	4.3
145.05058	0.4
157.01404	1.4
161.04532	0.8
163.06114	1.0
194.58891	0.2
197.29131	0.2
205.07167	2.5
264.81314	0.2
376.26321	0.2
439.32236	3.8
441.34082	0.2
469.33435	1.4
485.33026	2.5
487.34363	9.5
529.35376	1.2
557.35144	0.2
567.33606	0.2
569.34540	2.1
583.36700	0.9
599.35773	0.3
601.37531	12.5
605.57007	0.2
619.38452	3.3
645.36554	7.8
745.43127	0.3
763.42621	1.7
909.48517	0.7
953.46863	0.2
971.48645	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5034
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	3.5
71.44608	0.6
74.98601	0.5
85.02952	1.4
89.02436	2.7
92.23129	0.7
101.02437	1.4
113.02431	1.2
119.03494	1.1
132.02159	1.6
134.03748	9.9
149.06047	2.7
160.01651	22.6
161.02454	1.7
175.03996	70.2
179.03481	1.3
193.05052	21.2
202.49280	0.6
277.31253	0.8
299.05457	0.7
504.23270	0.7
579.29327	0.8
883.49658	2.9
971.49829	100.0
998.11487	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5034
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	3.5
71.44608	0.6
74.98601	0.5
85.02952	1.4
89.02436	2.7
92.23129	0.7
101.02437	1.4
113.02431	1.2
119.03494	1.1
132.02159	1.6
134.03748	9.9
149.06047	2.7
160.01651	22.6
161.02454	1.7
175.03996	70.2
179.03481	1.3
193.05052	21.2
202.49280	0.6
277.31253	0.8
299.05457	0.7
504.23270	0.7
579.29327	0.8
883.49658	2.9
971.49829	100.0
998.11487	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.585
Annotation	Unknow
Peak:m/z	Relative Intensity
68.12321	0.2
71.01367	0.3
81.78112	0.3
89.94714	0.2
91.05540	0.3
108.02877	0.3
112.07673	0.4
129.10333	13.6
147.04524	8.8
153.10315	2.1
154.08730	5.9
164.07170	30.5
171.11389	36.1
183.11417	0.5
196.29874	0.3
216.13933	1.3
233.16597	20.8
258.15070	0.3
275.17667	2.3
277.15607	1.6
282.43613	0.3
319.16644	100.0
967.18646	0.3
971.58765	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.6471
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	5.2
73.02934	0.7
85.02942	1.8
89.02430	5.4
95.01379	0.4
97.22275	0.3
101.02437	3.4
113.02458	4.3
119.03488	1.8
148.09189	0.3
161.04558	1.3
172.37714	0.3
179.05624	1.7
233.22670	0.5
255.21362	0.5
259.20700	0.7
273.22125	0.6
275.20206	0.5
277.21744	100.0
291.23309	2.8
319.22849	2.1
461.77356	0.4
530.83105	0.4
605.65417	0.3
612.82544	0.4
633.40192	18.0
651.41223	13.0
911.62634	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	971.6476
Annotation	Unknow
Peak:m/z	Relative Intensity
69.26110	0.6
71.01373	9.2
73.02937	3.8
74.42263	0.6
78.68523	0.7
85.02942	2.7
89.02431	6.1
101.02419	4.9
106.41684	0.7
113.02431	6.5
119.03490	3.4
161.04601	0.6
174.11967	0.6
185.67151	0.7
216.57420	0.7
221.77075	0.7
233.36479	0.7
253.17854	0.6
273.22250	1.2
277.21738	100.0
291.23306	6.1
319.22772	3.2
633.40186	24.2
651.41193	9.9
690.68329	0.7
911.62671	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	973.5018
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99818	0.2
69.03462	0.3
71.01375	7.0
72.99303	3.1
73.02941	3.6
75.00872	3.1
83.01381	1.5
85.02940	7.4
86.00114	0.1
87.00862	3.1
87.04486	0.3
89.02434	3.8
92.22353	0.3
95.01377	1.9
99.00871	4.9
99.89537	0.2
101.02435	11.3
103.00362	0.2
103.03999	1.7
111.00838	0.8
112.01661	0.3
113.02439	9.5
115.00425	0.2
115.03997	1.9
119.03480	2.6
125.02413	0.2
127.03977	0.3
129.01938	0.2
131.03499	3.2
133.01424	1.5
139.00389	1.7
143.03491	3.9
145.01427	2.4
145.05040	1.0
154.99800	0.2
157.01387	1.4
159.02977	5.9
161.04530	1.5
163.02486	4.8
163.06114	3.7
165.03990	0.2
179.05634	0.2
191.01978	4.3
205.07188	4.8
221.06747	0.3
223.17160	1.1
247.08202	0.8
327.09268	0.2
344.20255	0.2
367.12531	0.2
381.19199	0.8
383.20706	1.2
395.11826	0.2
428.35165	0.2
483.13596	0.7
561.25385	0.2
609.24194	0.9
631.39526	0.2
639.25446	0.2
651.25159	0.2
677.30414	1.2
689.30109	0.2
691.28406	1.8
693.30212	0.2
706.30078	0.2
707.31354	3.5
743.33716	0.2
824.18188	0.2
926.10120	0.2
941.47961	0.2
950.56525	0.2
955.48761	0.3
973.50189	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.5018
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	11.3
72.99281	0.6
73.02956	4.3
75.00867	4.4
85.02948	7.4
87.00876	2.9
89.02438	5.8
95.01375	0.7
99.00877	9.3
100.03571	0.6
101.02435	6.3
103.04006	0.8
112.01671	0.8
113.02446	10.2
115.03999	3.3
119.03506	1.0
125.02440	0.7
126.73602	0.6
131.03484	4.0
135.63768	0.7
143.03520	4.3
145.05092	0.8
150.79951	0.6
151.89760	0.6
152.13554	0.6
157.01414	0.8
161.04530	2.3
163.06143	1.3
173.59158	0.6
205.07155	2.6
320.84030	0.7
336.49902	0.7
360.58466	0.7
365.14740	0.6
391.67291	0.7
489.35797	1.0
528.25977	0.7
575.26337	1.0
898.07501	0.7
973.50201	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.5016
Annotation	Madecassoside
Peak:m/z	Relative Intensity
71.01376	9.9
71.25346	0.3
72.99290	0.4
73.02943	2.5
75.00861	5.8
83.01376	0.6
85.02950	7.0
87.00858	0.7
87.94604	0.3
89.02444	5.5
95.01367	2.0
99.00866	8.9
101.02434	10.7
111.00903	0.5
112.01623	0.7
113.02444	10.7
115.00308	0.5
119.03496	2.3
125.02433	0.5
129.01901	0.6
131.03534	0.4
139.00372	0.8
143.03468	0.4
150.03178	0.6
156.92918	0.3
157.01471	1.7
159.02922	0.6
161.04556	0.8
161.54962	0.3
165.05550	1.5
283.22586	0.4
793.44153	0.8
811.31348	2.0
811.45117	0.4
913.45172	0.4
973.50177	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.5022
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	8.6
72.99306	9.9
73.02943	9.7
75.00860	1.3
81.30131	0.5
83.01380	3.8
85.02943	3.1
87.00849	3.0
89.02445	6.5
95.01421	0.5
99.00874	5.8
101.02439	33.2
103.00375	1.0
103.04021	0.9
105.88356	0.6
113.02465	5.4
115.00399	0.7
115.03993	0.7
119.03467	2.3
127.00351	1.2
131.03471	1.1
133.01399	0.8
143.03493	1.1
145.01437	7.4
155.97632	0.6
159.03029	5.6
161.04533	0.6
163.02498	21.9
163.06181	1.1
165.04019	3.2
169.57907	0.6
191.01988	20.1
193.03371	0.6
205.07159	2.7
327.09326	0.8
395.11649	1.0
501.14819	2.4
955.49194	6.5
973.50208	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.5014
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01012	0.6
71.01380	12.0
72.99299	0.7
73.02943	2.0
75.00863	4.6
82.38755	0.3
83.01383	0.5
85.02947	6.7
85.52586	0.3
86.17071	0.3
87.00870	3.4
87.04498	0.7
89.02452	3.9
95.01359	1.7
99.00874	6.9
101.02439	5.7
103.04018	2.2
111.82822	0.4
113.02436	14.4
115.04004	3.5
119.03477	1.6
120.57988	0.3
125.02419	0.5
130.54868	0.3
131.03487	5.0
139.00310	0.6
139.03984	0.4
143.03485	4.7
145.05034	0.8
157.01414	1.9
161.04539	2.9
163.06136	1.6
167.03563	0.4
173.59831	0.3
177.39471	0.4
192.50217	0.4
205.07193	4.0
221.06664	2.6
275.07773	0.7
326.58273	0.4
367.12543	0.9
395.11975	0.7
421.13544	0.5
441.33600	0.7
489.35944	5.5
612.31415	0.5
647.38190	0.5
727.19214	0.4
973.50189	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.5154
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	1.7
72.55354	0.2
72.96990	0.2
75.49825	0.2
77.34331	0.2
83.37792	0.3
85.02931	0.4
87.11750	0.3
89.02435	1.5
91.76185	0.2
97.03032	0.2
99.04501	0.5
100.38985	0.3
101.02457	2.3
113.02443	1.4
117.03421	0.4
119.03494	0.4
132.02187	1.0
133.02942	1.2
134.03734	17.1
135.04515	0.3
148.05321	0.3
149.06056	4.0
160.01645	20.4
160.07985	0.3
161.02405	1.4
161.04546	0.3
168.37466	0.2
175.03996	63.9
178.02713	1.4
179.03508	1.2
191.07198	1.5
193.05055	38.6
203.30646	0.3
204.09955	0.3
204.40440	0.2
207.06557	0.5
221.04581	0.4
223.84659	0.3
235.06108	4.5
265.07153	0.4
295.08139	0.4
435.22443	0.4
611.60809	0.3
629.70648	0.3
973.51648	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.5174
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	2.5
72.92300	0.6
75.44564	0.5
85.02919	0.8
89.02430	2.3
89.77050	0.6
90.91905	0.5
92.23121	0.7
93.90938	0.5
101.02432	3.0
101.55135	0.5
113.02451	2.4
117.03426	0.7
128.08652	0.6
132.02115	0.8
134.03735	17.3
137.02489	0.7
141.01674	2.9
149.06064	5.5
160.01656	19.8
161.02441	0.9
175.04001	71.6
178.02701	1.1
179.03488	0.8
179.66840	0.7
190.23784	0.6
191.07114	2.6
193.05063	41.8
235.06096	5.9
254.49294	0.6
265.07275	0.9
338.38815	0.6
349.31207	0.6
355.31509	0.6
760.04944	0.7
803.46088	2.6
815.78217	0.7
843.44977	2.1
853.12292	0.7
885.46667	4.0
910.96698	0.7
973.51715	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.5171
Annotation	Unknow
Peak:m/z	Relative Intensity
69.49802	0.1
71.01374	1.2
85.02945	0.4
86.53434	0.2
89.02429	1.4
99.04508	0.2
101.02428	1.6
106.05582	0.2
113.01724	0.2
113.02437	1.3
113.03113	0.2
117.03437	1.0
119.03459	0.8
121.02929	0.2
132.02164	1.6
133.02966	0.6
134.03735	16.1
135.04536	0.6
137.02393	0.4
139.04004	0.2
142.02463	0.2
149.06076	4.9
159.02966	0.2
160.01646	21.7
161.02446	1.3
162.03224	0.2
175.03999	64.3
176.04550	0.9
178.02718	0.8
179.03496	1.1
191.07109	2.2
193.05058	36.1
194.05360	0.3
207.06630	0.3
217.05063	0.2
221.04599	0.3
235.06105	4.9
243.04546	0.2
265.07153	0.7
295.08276	0.8
537.22540	0.2
708.84271	0.2
797.45624	0.3
811.46130	0.2
973.51654	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.5174
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	1.3
72.14704	0.2
85.02953	0.4
89.02438	1.4
93.48287	0.2
94.91234	0.2
101.02444	1.2
103.68311	0.2
105.31091	0.2
107.97379	0.2
113.02437	1.5
117.03465	0.8
119.03494	0.4
132.02113	1.3
133.02908	0.7
134.03738	15.5
135.04514	0.8
137.02527	0.2
149.06076	4.3
151.03981	0.2
160.01654	19.9
161.02408	2.1
175.04001	67.9
176.04730	0.2
177.01860	0.2
177.04106	0.2
177.05539	0.3
178.02698	0.8
179.03468	1.7
191.07188	2.3
193.05064	35.4
235.06108	4.4
265.07303	0.3
295.08249	0.4
298.04526	0.2
626.50610	0.2
639.15100	0.2
797.45508	0.4
885.51520	0.2
973.51697	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.6116
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	1.2
71.01364	14.5
83.01416	1.3
85.02948	1.9
85.22593	1.2
87.00857	2.3
89.02437	20.4
90.28684	1.2
95.01342	1.6
97.02924	5.5
100.00352	1.2
101.02422	18.8
113.02419	9.3
119.03476	6.5
125.02430	9.1
131.03523	1.2
143.03493	2.6
161.04596	1.4
179.05585	2.6
221.06662	2.0
235.08264	7.4
255.23305	100.0
269.24835	1.5
277.21744	88.1
379.12506	23.6
397.13538	28.1
415.14584	3.0
611.44989	1.6
635.36578	26.4
637.66962	1.8
653.37488	21.1
657.34985	23.9
675.35986	10.7
823.08380	1.5
913.58746	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	973.6624
Annotation	Unknow
Peak:m/z	Relative Intensity
68.26685	1.9
70.56212	1.6
80.28145	1.8
85.02921	2.0
92.22504	2.6
161.33577	1.9
277.21729	100.0
319.26788	2.1
334.52475	2.2
480.08890	2.2
494.20840	2.0
516.00244	2.3
567.89337	2.3
568.78174	2.0
913.64380	13.5
973.66229	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	975.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
68.45079	0.7
69.13084	0.7
70.77743	0.8
71.01381	7.5
71.75411	0.7
73.02925	1.8
74.96519	0.8
75.00864	4.7
77.12924	0.9
85.02930	7.1
86.89868	0.8
87.00877	1.2
89.02444	5.5
95.01376	1.7
99.00861	7.1
101.02430	6.9
102.86287	0.8
103.04045	1.1
113.02437	10.9
115.04010	3.1
119.03463	1.9
131.03464	4.9
136.77103	0.8
143.03510	4.8
161.04532	1.4
163.06094	1.9
205.07181	5.3
257.64856	1.0
272.66812	0.9
407.33093	1.6
939.49622	100.0
975.47302	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	977.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
69.19155	0.2
71.01379	7.3
72.99287	0.2
73.02945	2.0
74.54898	0.2
75.00868	4.6
83.01378	1.3
85.02943	8.5
87.00856	1.8
87.04491	0.4
88.89816	0.2
89.02441	5.3
95.01382	2.3
99.00872	4.3
101.02438	7.0
103.04014	2.3
112.01659	0.3
113.02441	9.4
115.03992	3.1
119.03497	2.5
120.29898	0.2
131.03487	3.7
139.00363	1.3
143.03510	5.8
145.05103	0.9
157.01405	1.1
161.04532	1.6
163.06129	2.8
205.07175	5.8
211.02948	0.2
247.08311	0.3
256.22684	0.3
409.34595	0.4
437.34521	0.3
457.36844	1.7
615.39026	1.4
854.19147	0.3
880.73999	0.3
923.49835	0.5
941.51202	100.0
977.48840	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	979.216
Annotation	Unknow
Peak:m/z	Relative Intensity
88.55544	0.3
92.23029	0.4
108.36082	0.4
138.82867	0.4
151.00308	0.8
153.01909	0.4
175.03986	0.6
178.99818	0.6
200.25714	0.4
227.03467	4.6
255.02991	12.2
256.03787	3.1
267.02960	0.5
268.03787	53.4
282.05341	0.5
283.06134	100.0
284.03290	68.4
285.04068	18.4
285.07202	0.7
325.07117	2.3
327.05017	0.6
447.09378	78.9
531.24432	0.7
935.27820	0.6
979.32471	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.6361
Annotation	Unknow
Peak:m/z	Relative Intensity
68.67837	0.2
75.13903	0.2
86.46177	0.2
89.03027	0.2
92.22451	0.2
99.04507	1.0
99.08136	2.5
101.02451	0.3
103.04556	0.2
111.77010	0.2
125.02442	0.3
125.09711	0.3
127.11276	0.8
139.11301	1.2
141.01598	0.2
148.29568	0.2
155.14386	0.3
157.12367	0.3
165.12791	0.2
167.14453	0.8
171.10248	5.0
183.13889	3.0
193.12347	1.2
199.13387	0.3
209.11873	0.4
211.13406	25.8
229.14442	20.6
293.21320	0.8
298.04843	0.3
311.22302	1.6
316.51736	0.2
329.23358	100.0
330.23749	1.1
331.23935	0.3
361.72354	0.2
435.22336	0.9
543.28070	1.1
649.38208	0.2
944.55011	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	981.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
80.09138	0.5
96.95974	3.1
99.04514	0.9
101.02391	0.6
105.67662	0.5
112.20289	0.5
125.02455	0.7
165.01917	0.7
243.06668	1.1
255.02931	4.3
256.03705	1.0
283.02484	35.0
284.03268	19.7
298.04837	85.1
299.05618	81.0
433.20898	0.7
503.11990	100.0
547.11047	3.0
589.21613	0.6
624.13434	0.7
763.75287	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
68.18143	1.3
71.01382	11.6
73.02935	8.9
79.95734	2.6
83.01379	1.6
85.02953	5.2
85.80461	1.2
85.96706	1.3
89.02431	8.7
96.96003	100.0
101.02428	10.2
102.39671	1.2
109.62978	1.5
113.02414	11.1
119.03477	1.8
179.91742	1.6
193.05110	1.7
194.34641	1.4
215.98682	1.2
283.02530	1.6
298.04840	9.0
299.05661	11.7
312.64230	1.5
312.68796	1.4
423.32379	1.8
503.12057	7.9
517.02448	1.4
629.37030	3.1
671.38251	1.7
689.39178	35.0
691.77618	1.4
733.26489	2.3
741.27631	2.6
773.41608	1.9
790.43280	1.7
833.43774	17.1
839.49072	2.0
851.29211	1.5
851.43353	11.8
883.49512	1.8
893.45544	38.7
937.33667	6.6
981.43799	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	981.4345
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	8.9
73.02931	4.4
79.95744	4.3
83.01387	0.7
85.02948	3.2
85.66982	0.3
87.00867	0.5
87.61714	0.4
89.02434	7.2
95.01397	0.8
96.96001	100.0
98.90744	0.5
101.02432	7.6
101.72562	0.4
113.02443	8.1
116.92831	0.5
119.03487	2.4
127.01132	0.4
131.03529	0.6
161.04562	0.5
161.28526	0.4
196.41681	0.4
236.18712	0.4
298.04761	0.5
299.05728	1.6
449.30774	2.0
610.35248	1.0
611.35895	1.5
628.36053	3.0
629.37585	0.8
670.37811	1.0
671.38202	2.1
689.39325	1.7
711.89368	0.4
748.57507	0.5
773.41779	2.4
791.43219	1.7
833.43195	13.5
839.48590	2.8
841.49512	0.6
843.70404	0.5
851.44409	10.4
893.45538	33.2
937.32983	0.8
981.43494	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	981.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
69.64109	0.7
71.01376	21.8
71.84811	0.7
73.02943	12.3
83.01383	3.9
85.02938	10.0
87.00856	1.4
89.02431	21.2
92.22548	0.9
95.01355	4.0
96.96031	1.3
101.02430	21.5
113.02439	25.1
114.32172	0.8
119.03486	5.8
125.02409	1.4
148.52643	0.9
161.04515	0.9
204.14951	0.9
221.06897	1.0
247.67744	1.0
449.30359	3.3
610.35016	1.8
611.36060	1.6
628.36115	1.4
629.36334	1.1
671.38879	1.2
689.39923	1.5
773.41138	9.8
791.42175	8.9
803.42548	1.2
833.30396	1.0
833.43317	45.9
851.44403	34.1
893.45532	100.0
937.45221	1.4
981.44434	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	981.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99287	0.3
83.05016	0.6
88.40213	0.3
94.98103	0.4
113.09705	0.7
125.09689	0.5
125.85105	0.3
126.35485	0.3
128.23715	0.3
139.11273	4.7
153.12807	2.8
185.11900	0.4
191.18076	5.8
211.98628	0.3
224.14171	1.6
229.19606	0.7
245.19154	0.4
247.20656	4.7
254.23582	0.3
275.20166	0.5
279.12415	0.3
291.19611	0.4
293.21240	43.8
512.13135	0.5
526.14984	1.3
604.75146	0.4
614.20441	3.6
725.73828	0.4
981.45013	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.6519
Annotation	Unknow
Peak:m/z	Relative Intensity
68.23303	0.5
90.54216	0.4
99.08154	3.3
103.17570	0.4
122.76737	0.4
135.08217	0.4
139.11333	1.0
152.54056	0.5
167.14433	0.6
171.10297	5.9
182.72318	0.5
183.13869	3.0
193.12354	0.7
196.70055	0.5
206.67841	0.4
209.11931	0.6
211.13412	26.9
229.14462	22.7
273.01813	0.4
293.21289	1.8
311.22250	1.8
328.22122	0.6
329.23370	100.0
332.72437	0.5
551.21136	0.6
639.87250	0.5
848.12219	0.6
873.03265	0.5
938.68701	0.6
981.50043	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.4499
Annotation	Unknow
Peak:m/z	Relative Intensity
68.15172	0.3
68.99792	0.3
71.01377	8.5
72.99295	0.7
73.02950	2.8
73.03957	0.3
75.00871	2.4
83.01351	0.6
85.02948	7.9
87.00867	2.9
87.04523	0.5
89.02441	3.5
95.01390	2.6
97.02938	2.4
99.00879	9.4
101.02436	5.7
103.04013	1.4
112.01604	0.6
113.02438	10.2
115.03979	2.4
117.33466	0.3
119.03488	0.7
125.02472	0.4
131.03468	3.1
138.69930	0.3
139.00398	0.6
141.71693	0.3
143.03474	2.5
145.05058	0.5
157.01379	0.4
163.06149	0.5
175.55452	0.3
205.07196	2.0
208.51976	0.3
407.29514	1.3
426.95068	0.3
437.30899	0.5
455.31595	3.1
537.32532	2.1
569.35608	2.1
613.33795	3.7
657.32526	0.4
731.40570	0.4
782.73621	0.3
784.17340	0.4
895.47040	1.8
983.45007	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.4493
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03462	0.4
71.01376	23.2
72.99303	0.5
73.02937	13.2
75.00880	0.3
78.04758	0.3
83.01373	3.0
85.02947	9.0
87.00861	1.9
89.02435	16.5
92.23169	0.7
95.01391	3.3
97.02914	0.4
99.00865	1.7
101.02433	18.4
102.85132	0.3
112.01621	0.4
113.02439	23.2
119.03484	6.7
125.02423	1.7
131.03471	1.5
134.16660	0.3
134.88466	0.3
143.03444	0.8
149.04611	1.1
161.04579	2.6
165.12894	0.4
179.05588	0.4
192.08278	0.3
221.06534	0.5
277.56607	0.3
298.04865	0.6
347.84320	0.4
398.77243	0.4
477.19815	1.2
481.00543	0.3
607.16608	0.5
613.37134	0.5
631.39044	0.6
673.39264	0.7
775.42889	12.6
793.43738	7.1
811.44977	0.6
835.44934	50.9
853.45978	27.7
895.47003	100.0
939.46600	2.4
983.45654	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	983.4498
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	0.8
71.01379	26.7
72.99309	0.6
73.02945	14.9
82.55166	0.5
83.01384	3.6
85.02944	13.5
87.00869	1.3
88.54056	0.6
89.02433	18.5
89.02946	0.7
95.01405	4.5
97.02873	0.6
99.00875	0.9
101.02440	23.9
112.01607	0.7
113.02443	31.6
119.03474	5.4
124.01675	0.7
125.02435	2.2
131.03482	0.8
143.03493	2.4
161.04567	4.6
163.43715	0.6
179.05649	2.2
209.53461	0.6
211.28992	0.8
228.45572	0.6
297.74380	0.6
410.12674	0.6
419.57632	0.7
617.61426	0.7
775.42712	19.4
793.43988	13.8
835.44910	55.8
836.43750	0.8
853.45935	28.5
865.45911	3.0
895.46991	100.0
939.46277	1.0
983.46588	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	983.5226
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	8.9
72.99300	0.7
73.02943	2.8
75.00861	5.3
82.50252	0.4
85.02943	9.2
86.00087	0.4
87.00847	3.5
87.04507	1.6
87.64474	0.4
88.87538	0.3
89.02428	4.1
95.01365	2.6
99.00875	6.8
101.02440	7.5
103.03998	0.9
109.32660	0.4
113.02439	9.6
115.04012	4.2
119.03463	0.6
127.73148	0.4
131.03476	4.3
139.00349	0.5
143.03502	4.7
145.05103	0.4
163.90828	0.4
166.38293	0.4
198.80006	0.4
205.07179	3.1
245.70406	0.4
365.88266	0.4
479.35211	0.6
784.81494	0.5
983.52271	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.523
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99814	0.3
69.03444	0.2
70.73780	0.1
71.01375	9.7
72.99297	0.8
73.02943	3.1
75.00862	4.7
81.03455	0.2
83.01380	1.0
84.02173	0.2
85.02942	10.6
86.00101	0.3
87.00864	3.1
87.04504	0.9
87.04990	0.2
89.02428	4.4
95.01393	2.0
97.02988	0.2
99.00870	7.4
99.04516	0.2
101.02433	7.0
103.04012	1.6
111.00877	0.2
112.01649	0.7
113.02442	10.4
115.00356	0.3
115.03986	3.8
119.03523	1.3
125.02431	0.3
127.03969	0.2
129.01935	0.2
129.17751	0.1
129.25253	0.2
131.03485	4.6
139.00352	0.9
143.03499	5.0
145.05093	0.7
153.84958	0.1
157.01379	0.8
161.04546	0.7
163.06113	1.0
205.07178	3.3
210.03300	0.1
265.63815	0.2
453.19272	0.2
479.35217	0.2
499.38046	1.3
657.40192	0.2
700.86694	0.2
905.23517	0.2
939.49225	0.6
965.50909	0.2
968.24261	0.2
983.52234	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.4113
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	3.2
73.25093	0.8
79.51289	0.7
87.00887	1.1
96.96031	1.1
97.87517	0.8
99.00847	1.3
99.92577	14.8
100.93368	11.1
101.94122	0.7
111.00883	0.8
115.92072	17.0
116.92850	37.3
122.46746	0.7
126.94907	3.0
141.93674	3.4
142.94411	3.0
154.94389	2.9
167.95180	1.5
168.95955	1.0
169.93152	0.8
170.93912	1.1
182.67635	0.8
183.13895	1.4
184.95407	0.8
195.94737	1.5
196.95396	1.3
208.95465	1.1
226.96573	6.1
244.97589	1.4
277.21722	8.2
285.00693	2.9
286.52090	0.9
300.99915	0.9
310.05347	0.9
313.03436	1.1
327.21658	3.1
361.14838	1.5
393.13950	1.2
397.13394	1.0
470.62411	0.7
494.12201	0.8
634.01794	0.8
694.15149	0.9
737.35425	1.4
772.18854	0.9
778.31134	1.0
905.40228	1.1
949.38940	10.2
985.41138	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	1.9
87.00858	1.1
99.00816	1.1
99.92583	12.1
100.93336	8.0
115.92071	11.1
116.92852	26.4
126.94889	1.4
141.93610	1.9
142.94434	1.4
154.94385	1.3
157.08717	1.2
167.95143	1.2
173.28209	0.9
183.13789	4.1
184.95413	1.4
196.95409	1.5
226.96533	4.4
244.97482	1.9
266.74707	1.1
277.21835	7.2
281.04819	1.1
285.00452	1.2
295.22900	1.6
297.24249	1.4
307.06702	1.5
310.04965	1.2
318.00430	1.4
327.21640	1.8
397.13477	1.3
949.39117	11.3
985.40887	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	18.6
71.19611	0.7
73.02924	6.8
83.01389	3.0
85.02935	8.2
87.00880	1.5
87.55086	0.6
89.02438	17.0
94.16346	0.7
95.01409	2.6
96.96027	0.9
99.00865	1.5
101.02436	19.1
113.02441	15.8
116.92850	0.8
119.03474	7.0
125.02399	1.0
131.03510	0.9
161.04613	1.0
167.83380	0.7
272.78342	0.7
307.73343	0.7
380.29684	0.8
483.24643	0.9
489.35757	1.3
576.72717	0.8
704.45349	0.8
777.44403	8.9
795.45630	6.8
837.46558	31.0
855.47229	25.2
897.48499	100.0
985.44489	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	985.4646
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	15.8
73.02940	9.6
83.01383	3.3
85.02939	9.0
87.00842	0.4
89.02439	10.6
92.22515	0.4
92.95553	0.3
95.01385	3.1
99.00867	0.8
101.02442	13.7
111.92971	0.4
113.01656	0.7
113.02442	20.0
119.03507	3.5
124.01693	0.5
125.02464	0.8
131.03540	0.5
143.03546	0.5
145.01244	0.3
153.12587	0.3
161.04549	1.5
182.12685	0.4
331.12833	0.3
333.46506	0.4
776.40289	0.4
777.44330	3.3
795.45032	3.3
837.46527	28.6
855.47540	13.5
897.48578	100.0
941.47272	1.8
985.46484	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	985.4654
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06126	0.3
71.01379	19.7
73.02944	8.7
83.01373	2.5
85.02940	11.9
87.00862	1.6
89.02433	12.9
95.01369	4.2
97.02934	0.5
99.00880	1.7
99.33667	0.3
101.02442	13.6
103.04056	0.4
112.01630	0.9
113.02441	28.9
119.03497	5.8
124.01640	3.1
125.02410	1.5
131.03529	0.6
143.03532	0.8
161.04570	2.1
163.51266	0.4
305.50705	0.4
313.07196	0.5
516.29694	0.4
602.14813	0.4
708.24664	0.5
777.44250	8.9
795.45465	8.5
813.46680	1.6
837.46478	43.2
855.47565	24.3
897.48621	100.0
934.82098	0.5
941.46637	3.8
985.46478	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	985.5731
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	12.3
73.02937	1.8
85.02934	13.0
86.35091	1.3
89.02433	21.5
97.06578	1.9
101.02427	14.6
113.02397	9.2
119.03499	5.0
125.02428	1.7
125.09686	1.7
161.04590	1.5
167.10979	1.3
171.10240	12.8
183.13911	28.6
211.13335	16.3
221.06551	1.6
223.17015	2.0
229.14459	5.6
235.08281	4.5
251.16484	9.5
255.23291	2.4
261.10849	1.4
269.17581	5.2
277.21707	43.8
291.19626	8.4
297.24155	2.0
309.20724	6.2
327.21777	100.0
381.07407	1.4
397.13516	34.6
415.14670	14.2
587.43164	2.6
675.36212	24.7
707.35193	33.1
725.36096	7.1
909.34363	1.7
985.57526	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	987.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
68.50980	0.2
71.01385	0.5
85.02942	0.4
96.57269	0.2
101.02424	0.5
113.02422	0.3
117.03455	1.4
119.05019	6.9
145.02950	11.4
161.05940	0.3
163.04005	5.2
165.01939	2.6
175.04018	1.0
193.04996	0.4
255.03020	1.9
269.04453	0.5
271.06216	1.2
283.02499	30.4
284.03275	2.2
297.04041	0.3
298.04846	100.0
299.05624	9.3
313.07333	0.3
339.05194	0.3
341.06784	0.4
420.58725	0.3
563.24060	0.4
617.15350	6.5
635.16229	4.5
781.19934	77.8
898.48145	0.3
899.49982	1.3
940.14520	0.3
943.25336	13.5
987.48523	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.496
Annotation	Unknow
Peak:m/z	Relative Intensity
69.15534	0.1
71.01379	1.9
73.02971	0.2
83.01413	0.2
85.02959	0.8
85.95285	0.2
89.02435	2.1
101.02422	1.9
106.22881	0.2
113.02435	1.5
117.03477	0.8
119.03499	0.4
125.69833	0.2
132.02176	1.5
133.02962	0.4
134.03734	15.7
135.04509	0.3
137.02415	0.3
149.06090	3.4
160.01654	17.8
161.02443	3.4
162.03226	0.2
163.03984	0.2
173.06073	0.2
175.03996	55.8
176.04742	0.8
178.02708	0.3
179.03473	1.3
181.05145	0.3
191.07114	2.4
193.05063	32.3
204.04189	0.2
207.06657	0.8
221.04688	0.2
235.06113	3.9
265.07162	0.3
295.08255	0.8
332.18262	0.2
793.40991	0.3
807.43488	0.3
987.49670	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.496
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	2.6
74.54998	0.3
85.02946	0.5
89.02442	2.2
95.01390	0.3
101.02429	2.7
113.02444	1.7
113.78677	0.3
117.03438	0.6
119.03493	1.1
121.97540	0.3
132.02138	1.3
134.03735	16.3
149.06076	3.7
160.01653	18.8
161.02429	2.2
175.04004	54.2
176.04756	0.4
179.03499	0.5
191.07133	3.1
193.05066	32.5
207.06654	1.1
235.06143	6.5
265.07205	0.6
287.08255	0.3
295.08136	1.2
299.05753	0.6
327.94373	0.3
399.66327	0.3
524.38861	0.3
793.42578	1.1
863.33759	0.6
899.49445	0.4
935.40552	0.4
987.49670	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.4956
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01371	3.3
77.19173	0.4
83.89641	0.6
89.02427	2.9
92.33403	0.5
101.02444	4.0
113.02411	1.1
117.03421	1.0
120.86002	0.5
126.08317	0.5
132.02147	0.7
134.03726	14.5
143.59782	0.5
149.05025	0.5
149.06023	4.0
160.01654	20.5
161.02441	2.0
175.03996	57.6
176.04716	0.7
179.03517	0.5
185.91684	0.6
186.50061	0.6
191.07130	2.9
193.05055	35.1
207.06657	0.8
235.06111	6.7
295.08206	0.9
298.86871	0.5
299.05670	0.9
342.37335	0.6
640.24976	0.8
793.41644	0.8
855.09180	0.6
899.48334	0.8
987.49628	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.5898
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01375	6.0
73.02928	0.8
83.01351	0.5
85.02948	1.0
87.00867	0.9
87.09900	0.4
89.02427	8.4
97.02922	0.8
99.08115	0.8
101.02433	9.3
109.71471	0.4
113.02464	4.1
113.09725	0.9
119.03472	2.1
121.10230	0.6
125.02445	2.7
125.09660	0.5
126.57143	0.5
127.11313	0.7
129.09184	3.9
137.09680	0.6
139.11319	4.3
143.03513	0.5
155.10809	0.7
161.04552	1.8
167.10802	0.4
169.12372	0.8
171.10260	20.8
179.05605	0.9
181.12326	2.4
183.10272	1.8
183.13921	0.8
185.11815	3.4
193.12277	1.0
197.11827	5.2
199.13400	2.5
201.11392	4.4
211.13390	10.6
235.08182	2.0
249.22142	0.5
264.97015	0.5
265.21756	1.0
275.20163	2.2
277.21738	26.4
293.21237	14.4
305.08774	0.7
311.17221	4.1
311.22302	100.0
346.11569	0.5
397.13519	30.9
411.98871	0.5
415.14609	7.4
675.24353	1.0
675.35980	30.2
927.24908	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.5906
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03470	1.1
71.01376	16.5
73.02953	2.5
83.01385	8.5
83.05028	1.4
85.02939	1.6
87.00883	1.6
89.02440	22.7
95.01384	1.2
97.02953	4.0
99.00871	1.2
101.02435	24.3
105.16832	1.0
112.45580	1.1
113.02419	10.5
115.03988	1.1
119.03514	7.9
120.68275	0.9
123.08097	1.4
125.02422	7.0
125.09698	7.1
139.11272	2.2
143.03502	1.8
151.94571	1.1
161.04541	4.9
163.11368	2.5
165.12866	10.0
167.10732	5.4
179.05637	4.3
181.12454	2.0
191.10857	1.9
193.12320	1.3
193.16035	4.5
194.25577	1.2
195.35745	1.2
209.11841	35.1
221.06688	1.8
222.64809	1.1
235.08257	7.0
247.20673	13.4
265.21884	1.1
273.18417	1.5
279.23309	93.7
286.27203	1.2
291.19711	44.9
305.08859	1.2
309.20734	78.0
397.13541	91.4
415.14651	27.2
415.50189	1.2
446.04474	1.2
665.77087	1.3
677.37689	100.0
780.71924	1.3
987.56641	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	989.4959
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	18.8
72.99306	11.9
73.02940	4.4
85.02947	3.3
87.00851	1.1
89.02422	6.5
90.75395	0.9
95.01376	1.0
99.00877	1.6
101.02436	9.5
103.03993	1.5
106.07639	0.9
111.00848	0.8
113.02423	7.8
115.04022	0.8
119.03455	1.9
131.03526	1.8
133.01440	5.0
143.03474	1.7
154.99825	1.2
159.02974	3.7
163.02455	3.0
163.06120	3.7
191.01984	1.1
205.07147	4.3
483.13596	3.0
753.83118	0.9
765.43774	0.8
929.51318	3.4
935.33429	0.9
989.49811	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.497
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	7.0
72.99303	1.6
73.02951	0.4
75.00867	9.9
77.21298	0.2
77.47523	0.2
83.01387	0.6
85.02942	9.9
85.03428	0.5
87.00883	3.0
89.02440	5.4
95.01388	1.8
99.00872	3.8
99.98026	0.2
101.02438	4.9
103.00340	0.4
111.00858	0.4
113.02441	16.5
115.00329	1.3
117.01872	0.4
119.03478	1.4
119.29278	0.3
125.02402	0.3
131.03487	0.5
157.01419	0.5
175.02492	1.7
183.92758	0.2
283.06134	0.9
284.03250	0.3
300.39243	0.2
309.89108	0.3
989.49701	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.5122
Annotation	Unknow
Peak:m/z	Relative Intensity
69.97173	0.1
71.01376	2.3
73.02936	0.3
78.01203	0.1
85.02956	0.7
89.02436	2.5
91.72716	0.1
95.01331	0.2
99.00873	0.2
101.02444	2.7
113.02415	1.6
117.03477	0.4
119.03525	1.0
132.02161	1.2
133.02896	0.1
134.03735	8.5
135.04552	0.2
149.06076	2.3
160.01654	12.7
161.02475	1.4
163.04002	0.1
173.06053	0.2
175.04001	44.8
176.04691	0.2
177.05602	0.1
178.02733	0.7
179.03439	1.1
183.43886	0.1
191.07126	1.9
193.05060	24.4
207.06578	0.9
217.05017	0.2
219.89595	0.1
221.04523	0.2
235.06111	6.8
235.08504	0.2
251.05524	0.2
265.07257	1.3
281.06689	0.1
283.02570	0.2
295.08356	1.5
298.04962	0.2
515.22766	0.3
611.28986	0.3
639.32239	0.2
709.36780	0.3
753.38599	0.6
779.43774	1.0
794.41992	0.5
795.43329	0.5
809.44958	3.9
813.45203	1.5
827.46118	1.8
989.51178	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.5332
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03399	0.6
70.90997	0.4
71.01276	19.5
71.01714	2.5
72.99237	0.8
73.02837	6.7
75.00812	0.5
80.37234	0.3
81.03375	0.7
83.01274	3.8
85.02827	13.1
85.03383	1.2
87.00754	4.0
87.01326	0.8
87.04412	0.9
89.02316	7.7
92.23138	0.4
95.01273	0.9
97.02822	4.1
97.03494	0.6
99.00737	3.5
99.04404	0.5
101.02306	18.0
101.03018	0.9
103.03910	0.8
103.21424	0.4
109.02827	0.7
111.00700	0.6
111.04446	0.5
113.02296	16.2
115.03993	3.1
115.98405	0.5
125.02425	8.5
125.09569	1.7
127.03861	1.8
129.01816	0.8
131.03496	4.2
139.03888	0.6
143.03490	4.5
145.04892	0.6
145.10086	0.4
149.04355	0.6
151.11179	0.9
159.02980	2.8
161.04549	6.7
163.11157	0.6
164.53586	0.4
167.10558	0.5
205.07123	0.8
222.38431	0.4
247.16789	0.6
263.20154	8.5
289.21695	4.3
296.75253	0.5
307.22791	5.4
307.77341	0.4
377.22891	0.5
391.20914	0.5
391.32336	0.6
407.24081	0.8
409.22327	0.9
415.32507	3.5
425.25494	6.2
451.26605	0.9
469.28159	0.5
507.36566	0.5
560.62494	0.4
747.37640	1.9
797.46735	0.8
801.46478	0.8
857.48730	0.6
911.50104	0.6
929.51233	100.0
931.95050	0.5
947.52246	16.8
989.53247	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	989.5332
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03399	0.6
70.90997	0.4
71.01276	19.5
71.01714	2.5
72.99237	0.8
73.02837	6.7
75.00812	0.5
80.37234	0.3
81.03375	0.7
83.01274	3.8
85.02827	13.1
85.03383	1.2
87.00754	4.0
87.01326	0.8
87.04412	0.9
89.02316	7.7
92.23138	0.4
95.01273	0.9
97.02822	4.1
97.03494	0.6
99.00737	3.5
99.04404	0.5
101.02306	18.0
101.03018	0.9
103.03910	0.8
103.21424	0.4
109.02827	0.7
111.00700	0.6
111.04446	0.5
113.02296	16.2
115.03993	3.1
115.98405	0.5
125.02425	8.5
125.09569	1.7
127.03861	1.8
129.01816	0.8
131.03496	4.2
139.03888	0.6
143.03490	4.5
145.04892	0.6
145.10086	0.4
149.04355	0.6
151.11179	0.9
159.02980	2.8
161.04549	6.7
163.11157	0.6
164.53586	0.4
167.10558	0.5
205.07123	0.8
222.38431	0.4
247.16789	0.6
263.20154	8.5
289.21695	4.3
296.75253	0.5
307.22791	5.4
307.77341	0.4
377.22891	0.5
391.20914	0.5
391.32336	0.6
407.24081	0.8
409.22327	0.9
415.32507	3.5
425.25494	6.2
451.26605	0.9
469.28159	0.5
507.36566	0.5
560.62494	0.4
747.37640	1.9
797.46735	0.8
801.46478	0.8
857.48730	0.6
911.50104	0.6
929.51233	100.0
931.95050	0.5
947.52246	16.8
989.53247	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	989.613
Annotation	Unknow
Peak:m/z	Relative Intensity
71.98440	1.5
73.10764	1.5
88.19682	1.4
116.92773	1.6
147.09515	1.6
164.69598	1.7
217.76508	1.5
277.21964	1.5
285.17349	1.6
296.79883	1.7
356.58728	1.6
424.45367	1.8
619.83746	1.7
989.61237	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.5957
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03465	0.2
69.67207	0.2
71.01375	8.9
71.57722	0.2
72.99302	0.2
81.03459	0.3
83.01379	1.2
85.02942	2.4
87.00848	2.6
89.02437	11.6
95.01372	1.0
97.02946	1.9
99.00865	0.4
101.02436	9.8
101.03092	0.4
111.04472	0.3
113.02439	5.3
115.03918	0.2
119.03494	2.1
124.01654	0.3
125.02419	4.1
131.03471	0.5
133.05069	0.2
139.03990	0.4
143.03497	1.5
145.05040	0.3
149.04555	0.3
161.04561	2.2
179.05608	1.2
181.05101	0.2
217.07146	0.3
221.06656	1.1
233.22871	0.4
235.08211	3.3
253.09309	0.5
259.08170	0.2
259.20639	0.2
275.20142	0.3
277.21738	100.0
286.94577	0.2
287.07632	0.8
291.23245	0.4
305.08829	1.0
323.09851	1.0
379.12476	14.5
397.13541	18.6
415.14566	2.7
495.29840	0.3
565.30164	0.7
597.56866	0.2
657.35016	26.3
675.36035	15.4
716.54852	0.2
935.57520	9.6
948.67664	0.2
END